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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 | cing | stage | position | program | type |
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6246 |
1ioj ![]() ![]() |
cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 1H THR 1 -13.334 0.116 0.116 2 2H THR 1 2H THR 1 -11.824 -0.511 -0.511 3 3H THR 1 3H THR 1 -12.639 0.193 0.193 4 HA THR 1 HA THR 1 -14.327 -1.499 -1.499 5 HB THR 1 HB THR 1 -12.562 -1.756 -1.756 6 HG1 THR 1 HG1 THR 1 -14.058 -3.413 -3.413 7 1HG2 THR 1 2HG2 THR 1 -10.530 -1.747 -1.747 8 2HG2 THR 1 3HG2 THR 1 -10.937 -3.382 -3.382 9 3HG2 THR 1 1HG2 THR 1 -10.541 -3.111 -3.111 10 HA PRO 2 HA PRO 2 -13.847 -3.035 -3.035 11 1HB PRO 2 1HB PRO 2 -16.296 -2.253 -2.253 12 2HB PRO 2 2HB PRO 2 -15.037 -1.061 -1.061 13 1HG PRO 2 1HG PRO 2 -17.470 -1.699 -1.699 14 2HG PRO 2 2HG PRO 2 -16.782 -0.110 -0.110 15 1HD PRO 2 1HD PRO 2 -16.320 -1.440 -1.440 16 2HD PRO 2 2HD PRO 2 -15.108 -0.304 -0.304 17 H ASP 3 H ASP 3 -14.054 -5.044 -5.044 18 HA ASP 3 HA ASP 3 -15.898 -6.955 -6.955 19 1HB ASP 3 1HB ASP 3 -13.479 -7.484 -7.484 20 2HB ASP 3 2HB ASP 3 -13.858 -7.487 -7.487 21 H VAL 4 H VAL 4 -17.829 -7.395 -7.395 22 HA VAL 4 HA VAL 4 -18.870 -6.120 -6.120 23 HB VAL 4 HB VAL 4 -20.574 -7.594 -7.594 24 1HG1 VAL 4 1HG1 VAL 4 -21.255 -5.324 -5.324 25 2HG1 VAL 4 2HG1 VAL 4 -22.349 -5.904 -5.904 26 3HG1 VAL 4 3HG1 VAL 4 -21.883 -6.987 -6.987 27 1HG2 VAL 4 1HG2 VAL 4 -19.675 -4.635 -4.635 28 2HG2 VAL 4 2HG2 VAL 4 -19.255 -5.924 -5.924 29 3HG2 VAL 4 3HG2 VAL 4 -20.931 -5.384 -5.384 30 H SER 5 H SER 5 -20.400 -7.271 -7.271 31 HA SER 5 HA SER 5 -20.859 -10.075 -10.075 32 1HB SER 5 1HB SER 5 -18.509 -10.316 -10.316 33 2HB SER 5 2HB SER 5 -18.919 -9.295 -9.295 34 HG SER 5 HG SER 5 -20.564 -10.817 -10.817 35 H SER 6 H SER 6 -22.738 -8.717 -8.717 36 HA SER 6 HA SER 6 -24.424 -7.282 -7.282 37 1HB SER 6 1HB SER 6 -25.177 -9.314 -9.314 38 2HB SER 6 2HB SER 6 -24.440 -8.714 -8.714 39 HG SER 6 HG SER 6 -26.639 -8.199 -8.199 40 H ALA 7 H ALA 7 -22.443 -5.779 -5.779 41 HA ALA 7 HA ALA 7 -22.431 -3.882 -3.882 42 1HB ALA 7 3HB ALA 7 -20.087 -4.451 -4.451 43 2HB ALA 7 1HB ALA 7 -20.101 -3.257 -3.257 44 3HB ALA 7 2HB ALA 7 -20.222 -4.989 -4.989 45 H LEU 8 H LEU 8 -21.562 -3.681 -3.681 46 HA LEU 8 HA LEU 8 -22.910 -1.113 -1.113 47 1HB LEU 8 1HB LEU 8 -21.775 -3.362 -3.362 48 2HB LEU 8 2HB LEU 8 -22.614 -2.027 -2.027 49 HG LEU 8 HG LEU 8 -20.292 -1.679 -1.679 50 1HD1 LEU 8 2HD1 LEU 8 -21.685 0.373 0.373 51 2HD1 LEU 8 3HD1 LEU 8 -21.240 0.380 0.380 52 3HD1 LEU 8 1HD1 LEU 8 -19.993 0.613 0.613 53 1HD2 LEU 8 3HD2 LEU 8 -19.371 -2.982 -2.982 54 2HD2 LEU 8 1HD2 LEU 8 -18.608 -1.392 -1.392 55 3HD2 LEU 8 2HD2 LEU 8 -19.803 -1.643 -1.643 56 H ASP 9 H ASP 9 -24.243 -4.298 -4.298 57 HA ASP 9 HA ASP 9 -26.786 -3.842 -3.842 58 1HB ASP 9 1HB ASP 9 -25.891 -6.132 -6.132 59 2HB ASP 9 2HB ASP 9 -26.275 -5.657 -5.657 60 H LYS 10 H LYS 10 -25.849 -3.418 -3.418 61 HA LYS 10 HA LYS 10 -28.369 -2.137 -2.137 62 1HB LYS 10 2HB LYS 10 -26.834 -3.365 -3.365 63 2HB LYS 10 1HB LYS 10 -25.626 -2.110 -2.110 64 1HG LYS 10 1HG LYS 10 -26.728 -1.772 -1.772 65 2HG LYS 10 2HG LYS 10 -27.196 -0.434 -0.434 66 1HD LYS 10 1HD LYS 10 -29.422 -1.570 -1.570 67 2HD LYS 10 2HD LYS 10 -28.928 -2.939 -2.939 68 1HE LYS 10 1HE LYS 10 -28.745 -1.388 -1.388 69 2HE LYS 10 2HE LYS 10 -29.234 -0.020 -0.020 70 1HZ LYS 10 2HZ LYS 10 -31.350 -1.163 -1.163 71 2HZ LYS 10 3HZ LYS 10 -30.894 -2.440 -2.440 72 3HZ LYS 10 1HZ LYS 10 -31.112 -0.948 -0.948 73 H LEU 11 H LEU 11 -25.110 -0.594 -0.594 74 HA LEU 11 HA LEU 11 -26.390 2.066 2.066 75 1HB LEU 11 1HB LEU 11 -24.190 3.010 3.010 76 2HB LEU 11 2HB LEU 11 -24.618 2.460 2.460 77 HG LEU 11 HG LEU 11 -22.931 0.557 0.557 78 1HD1 LEU 11 2HD1 LEU 11 -21.843 2.781 2.781 79 2HD1 LEU 11 3HD1 LEU 11 -21.706 3.030 3.030 80 3HD1 LEU 11 1HD1 LEU 11 -20.819 1.703 1.703 81 1HD2 LEU 11 3HD2 LEU 11 -23.649 -0.124 -0.124 82 2HD2 LEU 11 1HD2 LEU 11 -21.888 -0.009 -0.009 83 3HD2 LEU 11 2HD2 LEU 11 -22.802 1.287 1.287 84 H LYS 12 H LYS 12 -27.481 0.922 0.922 85 HA LYS 12 HA LYS 12 -25.798 0.548 0.548 86 1HB LYS 12 1HB LYS 12 -27.838 -0.039 -0.039 87 2HB LYS 12 2HB LYS 12 -27.605 -0.978 -0.978 88 1HG LYS 12 1HG LYS 12 -29.335 0.483 0.483 89 2HG LYS 12 2HG LYS 12 -29.612 1.344 1.344 90 1HD LYS 12 1HD LYS 12 -30.307 -0.822 -0.822 91 2HD LYS 12 2HD LYS 12 -30.008 -1.691 -1.691 92 1HE LYS 12 1HE LYS 12 -31.780 -0.284 -0.284 93 2HE LYS 12 2HE LYS 12 -32.083 0.584 0.584 94 1HZ LYS 12 3HZ LYS 12 -32.454 -2.347 -2.347 95 2HZ LYS 12 1HZ LYS 12 -33.659 -1.219 -1.219 96 3HZ LYS 12 2HZ LYS 12 -32.738 -1.538 -1.538 97 H GLU 13 H GLU 13 -27.931 3.076 3.076 98 HA GLU 13 HA GLU 13 -27.622 4.739 4.739 99 1HB GLU 13 1HB GLU 13 -29.149 6.329 6.329 100 2HB GLU 13 2HB GLU 13 -29.849 4.737 4.737 101 1HG GLU 13 1HG GLU 13 -28.785 6.322 6.322 102 2HG GLU 13 2HG GLU 13 -30.457 6.176 6.176 103 H PHE 14 H PHE 14 -26.689 5.010 5.010 104 HA PHE 14 HA PHE 14 -24.826 7.276 7.276 105 1HB PHE 14 1HB PHE 14 -25.789 6.834 6.834 106 2HB PHE 14 2HB PHE 14 -25.026 5.269 5.269 107 HD1 PHE 14 HD1 PHE 14 -24.251 8.973 8.973 108 HD2 PHE 14 HD2 PHE 14 -22.766 5.099 5.099 109 HE1 PHE 14 HE1 PHE 14 -22.234 10.014 10.014 110 HE2 PHE 14 HE2 PHE 14 -20.755 6.156 6.156 111 HZ PHE 14 HZ PHE 14 -20.482 8.610 8.610 112 H GLY 15 H GLY 15 -24.320 3.727 3.727 113 1HA GLY 15 1HA GLY 15 -21.421 3.662 3.662 114 2HA GLY 15 2HA GLY 15 -22.471 2.387 2.387 115 H ASN 16 H ASN 16 -23.923 3.523 3.523 116 HA ASN 16 HA ASN 16 -22.151 3.657 3.657 117 1HB ASN 16 1HB ASN 16 -24.643 3.095 3.095 118 2HB ASN 16 2HB ASN 16 -25.016 4.786 4.786 119 1HD2 ASN 16 1HD2 ASN 16 -24.769 5.368 5.368 120 2HD2 ASN 16 2HD2 ASN 16 -25.240 5.972 5.972 121 H THR 17 H THR 17 -23.376 6.415 6.415 122 HA THR 17 HA THR 17 -22.456 8.545 8.545 123 HB THR 17 HB THR 17 -22.910 8.544 8.544 124 HG1 THR 17 HG1 THR 17 -24.573 9.222 9.222 125 1HG2 THR 17 3HG2 THR 17 -22.878 10.900 10.900 126 2HG2 THR 17 1HG2 THR 17 -23.373 10.974 10.974 127 3HG2 THR 17 2HG2 THR 17 -21.684 10.607 10.607 128 H LEU 18 H LEU 18 -20.753 7.291 7.291 129 HA LEU 18 HA LEU 18 -18.253 8.573 8.573 130 1HB LEU 18 1HB LEU 18 -17.216 8.355 8.355 131 2HB LEU 18 2HB LEU 18 -18.856 8.759 8.759 132 HG LEU 18 HG LEU 18 -17.593 5.945 5.945 133 1HD1 LEU 18 2HD1 LEU 18 -16.607 7.569 7.569 134 2HD1 LEU 18 3HD1 LEU 18 -18.230 7.979 7.979 135 3HD1 LEU 18 1HD1 LEU 18 -17.573 6.340 6.340 136 1HD2 LEU 18 2HD2 LEU 18 -20.359 6.889 6.889 137 2HD2 LEU 18 3HD2 LEU 18 -20.050 5.710 5.710 138 3HD2 LEU 18 1HD2 LEU 18 -19.612 5.313 5.313 139 H GLU 19 H GLU 19 -19.427 5.891 5.891 140 HA GLU 19 HA GLU 19 -16.832 4.472 4.472 141 1HB GLU 19 1HB GLU 19 -19.680 3.904 3.904 142 2HB GLU 19 2HB GLU 19 -18.316 3.187 3.187 143 1HG GLU 19 1HG GLU 19 -17.502 2.102 2.102 144 2HG GLU 19 2HG GLU 19 -18.805 2.812 2.812 145 H ASP 20 H ASP 20 -19.305 6.433 6.433 146 HA ASP 20 HA ASP 20 -17.649 6.961 6.961 147 1HB ASP 20 1HB ASP 20 -20.160 7.316 7.316 148 2HB ASP 20 2HB ASP 20 -19.893 8.712 8.712 149 H LYS 21 H LYS 21 -17.887 8.814 8.814 150 HA LYS 21 HA LYS 21 -15.913 10.874 10.874 151 1HB LYS 21 1HB LYS 21 -16.606 9.868 9.868 152 2HB LYS 21 2HB LYS 21 -15.628 11.263 11.263 153 1HG LYS 21 1HG LYS 21 -18.604 11.004 11.004 154 2HG LYS 21 2HG LYS 21 -17.926 11.862 11.862 155 1HD LYS 21 1HD LYS 21 -16.646 13.387 13.387 156 2HD LYS 21 2HD LYS 21 -17.475 12.577 12.577 157 1HE LYS 21 1HE LYS 21 -19.720 13.290 13.290 158 2HE LYS 21 2HE LYS 21 -18.872 14.131 14.131 159 1HZ LYS 21 1HZ LYS 21 -17.790 15.532 15.532 160 2HZ LYS 21 2HZ LYS 21 -18.580 14.748 14.748 161 3HZ LYS 21 3HZ LYS 21 -19.434 15.639 15.639 162 H ALA 22 H ALA 22 -15.413 7.591 7.591 163 HA ALA 22 HA ALA 22 -12.492 7.961 7.961 164 1HB ALA 22 2HB ALA 22 -13.664 6.232 6.232 165 2HB ALA 22 3HB ALA 22 -14.124 5.389 5.389 166 3HB ALA 22 1HB ALA 22 -12.408 5.496 5.496 167 H ARG 23 H ARG 23 -14.400 6.465 6.465 168 HA ARG 23 HA ARG 23 -11.922 6.396 6.396 169 1HB ARG 23 1HB ARG 23 -14.827 5.624 5.624 170 2HB ARG 23 2HB ARG 23 -13.512 5.643 5.643 171 1HG ARG 23 1HG ARG 23 -13.203 3.515 3.515 172 2HG ARG 23 2HG ARG 23 -12.323 3.975 3.975 173 1HD ARG 23 1HD ARG 23 -15.393 3.499 3.499 174 2HD ARG 23 2HD ARG 23 -14.268 2.147 2.147 175 HE ARG 23 HE ARG 23 -13.488 3.912 3.912 176 1HH1 ARG 23 1HH1 ARG 23 -15.990 1.543 1.543 177 2HH1 ARG 23 2HH1 ARG 23 -16.222 1.103 1.103 178 1HH2 ARG 23 1HH2 ARG 23 -13.839 3.327 3.327 179 2HH2 ARG 23 2HH2 ARG 23 -15.087 2.045 2.045 180 H GLU 24 H GLU 24 -11.581 8.616 8.616 181 HA GLU 24 HA GLU 24 -12.372 10.652 10.652 182 1HB GLU 24 1HB GLU 24 -14.708 10.505 10.505 183 2HB GLU 24 2HB GLU 24 -14.080 10.786 10.786 184 1HG GLU 24 1HG GLU 24 -13.284 13.116 13.116 185 2HG GLU 24 2HG GLU 24 -14.087 12.765 12.765 186 H LEU 25 H LEU 25 -11.935 10.257 10.257 187 HA LEU 25 HA LEU 25 -9.913 12.482 12.482 188 1HB LEU 25 1HB LEU 25 -11.217 10.657 10.657 189 2HB LEU 25 2HB LEU 25 -9.742 11.486 11.486 190 HG LEU 25 HG LEU 25 -10.636 13.665 13.665 191 1HD1 LEU 25 2HD1 LEU 25 -12.173 13.541 13.541 192 2HD1 LEU 25 3HD1 LEU 25 -13.344 12.585 12.585 193 3HD1 LEU 25 1HD1 LEU 25 -12.986 14.265 14.265 194 1HD2 LEU 25 3HD2 LEU 25 -11.111 12.436 12.436 195 2HD2 LEU 25 1HD2 LEU 25 -12.373 13.636 13.636 196 3HD2 LEU 25 2HD2 LEU 25 -12.688 11.910 11.910 197 H ILE 26 H ILE 26 -9.852 8.897 8.897 198 HA ILE 26 HA ILE 26 -6.874 8.782 8.782 199 HB ILE 26 HB ILE 26 -8.935 6.590 6.590 200 1HG1 ILE 26 1HG1 ILE 26 -7.166 7.205 7.205 201 2HG1 ILE 26 2HG1 ILE 26 -8.763 7.894 7.894 202 1HG2 ILE 26 3HG2 ILE 26 -5.896 6.223 6.223 203 2HG2 ILE 26 1HG2 ILE 26 -7.107 4.916 4.916 204 3HG2 ILE 26 2HG2 ILE 26 -6.814 5.756 5.756 205 1HD1 ILE 26 2HD1 ILE 26 -9.804 5.620 5.620 206 2HD1 ILE 26 3HD1 ILE 26 -8.198 4.897 4.897 207 3HD1 ILE 26 1HD1 ILE 26 -8.955 5.968 5.968 208 H SER 27 H SER 27 -9.181 8.534 8.534 209 HA SER 27 HA SER 27 -7.049 7.961 7.961 210 1HB SER 27 1HB SER 27 -10.010 8.727 8.727 211 2HB SER 27 2HB SER 27 -8.890 8.324 8.324 212 HG SER 27 HG SER 27 -8.547 6.306 6.306 213 H ARG 28 H ARG 28 -5.657 9.580 9.580 214 HA ARG 28 HA ARG 28 -5.026 11.852 11.852 215 1HB ARG 28 1HB ARG 28 -5.770 13.911 13.911 216 2HB ARG 28 2HB ARG 28 -7.079 13.068 13.068 217 1HG ARG 28 1HG ARG 28 -7.967 12.398 12.398 218 2HG ARG 28 2HG ARG 28 -6.672 13.358 13.358 219 1HD ARG 28 1HD ARG 28 -7.568 15.431 15.431 220 2HD ARG 28 2HD ARG 28 -8.891 14.449 14.449 221 HE ARG 28 HE ARG 28 -9.981 14.511 14.511 222 1HH1 ARG 28 1HH1 ARG 28 -6.654 15.703 15.703 223 2HH1 ARG 28 2HH1 ARG 28 -7.075 16.315 16.315 224 1HH2 ARG 28 1HH2 ARG 28 -10.341 15.249 15.249 225 2HH2 ARG 28 2HH2 ARG 28 -9.018 16.074 16.074 226 H ILE 29 H ILE 29 -5.754 11.027 11.027 227 HA ILE 29 HA ILE 29 -3.083 11.998 11.998 228 HB ILE 29 HB ILE 29 -5.328 10.528 10.528 229 1HG1 ILE 29 1HG1 ILE 29 -4.401 13.455 13.455 230 2HG1 ILE 29 2HG1 ILE 29 -5.771 12.967 12.967 231 1HG2 ILE 29 2HG2 ILE 29 -3.166 9.955 9.955 232 2HG2 ILE 29 3HG2 ILE 29 -2.758 11.685 11.685 233 3HG2 ILE 29 1HG2 ILE 29 -4.138 11.007 11.007 234 1HD1 ILE 29 3HD1 ILE 29 -6.935 12.061 12.061 235 2HD1 ILE 29 1HD1 ILE 29 -5.604 12.733 12.733 236 3HD1 ILE 29 2HD1 ILE 29 -6.630 13.814 13.814 237 H LYS 30 H LYS 30 -4.360 8.669 8.669 238 HA LYS 30 HA LYS 30 -3.410 6.641 6.641 239 1HB LYS 30 1HB LYS 30 -3.584 7.387 7.387 240 2HB LYS 30 2HB LYS 30 -1.843 7.415 7.415 241 1HG LYS 30 1HG LYS 30 -2.485 5.281 5.281 242 2HG LYS 30 2HG LYS 30 -1.887 4.951 4.951 243 1HD LYS 30 1HD LYS 30 -4.253 4.831 4.831 244 2HD LYS 30 2HD LYS 30 -4.880 5.309 5.309 245 1HE LYS 30 1HE LYS 30 -3.924 3.174 3.174 246 2HE LYS 30 2HE LYS 30 -3.291 2.706 2.706 247 1HZ LYS 30 3HZ LYS 30 -5.582 2.693 2.693 248 2HZ LYS 30 1HZ LYS 30 -6.173 3.130 3.130 249 3HZ LYS 30 2HZ LYS 30 -5.427 1.668 1.668 250 H GLN 31 H GLN 31 -2.401 7.238 7.238 251 HA GLN 31 HA GLN 31 -0.737 7.578 7.578 252 1HB GLN 31 1HB GLN 31 0.930 5.896 5.896 253 2HB GLN 31 2HB GLN 31 1.396 6.379 6.379 254 1HG GLN 31 1HG GLN 31 -0.570 5.195 5.195 255 2HG GLN 31 2HG GLN 31 -1.098 4.706 4.706 256 1HE2 GLN 31 2HE2 GLN 31 1.973 2.623 2.623 257 2HE2 GLN 31 1HE2 GLN 31 1.264 4.143 4.143 258 H SER 32 H SER 32 -1.121 9.852 9.852 259 HA SER 32 HA SER 32 1.682 11.102 11.102 260 1HB SER 32 1HB SER 32 -0.881 12.117 12.117 261 2HB SER 32 2HB SER 32 0.661 12.978 12.978 262 HG SER 32 HG SER 32 0.411 11.736 11.736 263 H GLU 33 H GLU 33 -0.994 13.291 13.291 264 HA GLU 33 HA GLU 33 -0.160 13.652 13.652 265 1HB GLU 33 1HB GLU 33 -1.941 15.299 15.299 266 2HB GLU 33 2HB GLU 33 -1.050 15.543 15.543 267 1HG GLU 33 1HG GLU 33 -2.926 14.396 14.396 268 2HG GLU 33 2HG GLU 33 -3.820 14.168 14.168 269 H LEU 34 H LEU 34 -1.613 11.026 11.026 270 HA LEU 34 HA LEU 34 -3.270 10.497 10.497 271 1HB LEU 34 1HB LEU 34 -4.202 9.565 9.565 272 2HB LEU 34 2HB LEU 34 -2.719 8.765 8.765 273 HG LEU 34 HG LEU 34 -4.624 7.348 7.348 274 1HD1 LEU 34 2HD1 LEU 34 -2.296 6.448 6.448 275 2HD1 LEU 34 3HD1 LEU 34 -2.050 6.879 6.879 276 3HD1 LEU 34 1HD1 LEU 34 -3.282 5.682 5.682 277 1HD2 LEU 34 3HD2 LEU 34 -5.428 8.742 8.742 278 2HD2 LEU 34 1HD2 LEU 34 -5.111 7.059 7.059 279 3HD2 LEU 34 2HD2 LEU 34 -3.956 8.337 8.337 280 H SER 35 H SER 35 -0.270 9.632 9.632 281 HA SER 35 HA SER 35 0.886 8.315 8.315 282 1HB SER 35 1HB SER 35 1.821 8.348 8.348 283 2HB SER 35 2HB SER 35 2.777 7.704 7.704 284 HG SER 35 HG SER 35 1.523 6.115 6.115 285 H ALA 36 H ALA 36 3.167 9.887 9.887 286 HA ALA 36 HA ALA 36 4.768 11.637 11.637 287 1HB ALA 36 2HB ALA 36 2.893 13.207 13.207 288 2HB ALA 36 3HB ALA 36 2.630 13.057 13.057 289 3HB ALA 36 1HB ALA 36 4.161 13.722 13.722 290 H LYS 37 H LYS 37 3.151 11.197 11.197 291 HA LYS 37 HA LYS 37 5.738 10.800 10.800 292 1HB LYS 37 1HB LYS 37 4.466 10.450 10.450 293 2HB LYS 37 2HB LYS 37 4.029 11.954 11.954 294 1HG LYS 37 1HG LYS 37 1.904 10.895 10.895 295 2HG LYS 37 2HG LYS 37 2.310 9.378 9.378 296 1HD LYS 37 1HD LYS 37 1.872 12.056 12.056 297 2HD LYS 37 2HD LYS 37 0.629 10.840 10.840 298 1HE LYS 37 1HE LYS 37 1.975 9.138 9.138 299 2HE LYS 37 2HE LYS 37 3.211 10.364 10.364 300 1HZ LYS 37 1HZ LYS 37 0.360 10.563 10.563 301 2HZ LYS 37 2HZ LYS 37 1.642 10.214 10.214 302 3HZ LYS 37 3HZ LYS 37 1.516 11.707 11.707 303 H MET 38 H MET 38 3.137 8.706 8.706 304 HA MET 38 HA MET 38 4.346 6.170 6.170 305 1HB MET 38 1HB MET 38 2.424 6.549 6.549 306 2HB MET 38 2HB MET 38 2.936 5.016 5.016 307 1HG MET 38 1HG MET 38 1.204 7.092 7.092 308 2HG MET 38 2HG MET 38 0.701 5.536 5.536 309 1HE MET 38 3HE MET 38 1.360 3.159 3.159 310 2HE MET 38 2HE MET 38 3.132 3.422 3.422 311 3HE MET 38 1HE MET 38 2.349 2.927 2.927 312 H ARG 39 H ARG 39 4.713 8.003 8.003 313 HA ARG 39 HA ARG 39 6.557 5.933 5.933 314 1HB ARG 39 1HB ARG 39 5.801 8.729 8.729 315 2HB ARG 39 2HB ARG 39 7.138 7.841 7.841 316 1HG ARG 39 1HG ARG 39 5.669 5.874 5.874 317 2HG ARG 39 2HG ARG 39 4.270 6.737 6.737 318 1HD ARG 39 1HD ARG 39 4.485 8.496 8.496 319 2HD ARG 39 2HD ARG 39 5.997 7.770 7.770 320 HE ARG 39 HE ARG 39 3.889 5.729 5.729 321 1HH1 ARG 39 1HH1 ARG 39 4.892 8.665 8.665 322 2HH1 ARG 39 2HH1 ARG 39 4.112 8.035 8.035 323 1HH2 ARG 39 1HH2 ARG 39 3.038 5.114 5.114 324 2HH2 ARG 39 2HH2 ARG 39 3.134 6.162 6.162 325 H GLU 40 H GLU 40 7.157 8.911 8.911 326 HA GLU 40 HA GLU 40 10.101 8.733 8.733 327 1HB GLU 40 1HB GLU 40 8.799 10.756 10.756 328 2HB GLU 40 2HB GLU 40 8.251 9.901 9.901 329 1HG GLU 40 1HG GLU 40 10.680 9.725 9.725 330 2HG GLU 40 2HG GLU 40 11.195 10.575 10.575 331 H TRP 41 H TRP 41 7.650 7.373 7.373 332 HA TRP 41 HA TRP 41 9.483 5.861 5.861 333 1HB TRP 41 1HB TRP 41 7.166 6.524 6.524 334 2HB TRP 41 2HB TRP 41 6.489 5.450 5.450 335 HD1 TRP 41 HD1 TRP 41 7.901 5.494 5.494 336 HE1 TRP 41 HE1 TRP 41 7.579 3.164 3.164 337 HE3 TRP 41 HE3 TRP 41 6.626 2.881 2.881 338 HZ2 TRP 41 HZ2 TRP 41 6.814 0.570 0.570 339 HZ3 TRP 41 HZ3 TRP 41 6.108 0.451 0.451 340 HH2 TRP 41 HH2 TRP 41 6.202 -0.671 -0.671 341 H PHE 42 H PHE 42 7.940 4.896 4.896 342 HA PHE 42 HA PHE 42 8.749 2.023 2.023 343 1HB PHE 42 1HB PHE 42 7.920 3.634 3.634 344 2HB PHE 42 2HB PHE 42 8.314 1.940 1.940 345 HD1 PHE 42 HD1 PHE 42 6.931 0.498 0.498 346 HD2 PHE 42 HD2 PHE 42 5.560 3.923 3.923 347 HE1 PHE 42 HE1 PHE 42 4.600 -0.150 -0.150 348 HE2 PHE 42 HE2 PHE 42 3.243 3.269 3.269 349 HZ PHE 42 HZ PHE 42 2.750 1.235 1.235 350 H SER 43 H SER 43 10.165 4.916 4.916 351 HA SER 43 HA SER 43 12.693 3.465 3.465 352 1HB SER 43 1HB SER 43 13.448 5.533 5.533 353 2HB SER 43 2HB SER 43 11.883 5.024 5.024 354 HG SER 43 HG SER 43 10.914 6.540 6.540 355 H GLU 44 H GLU 44 12.819 2.931 2.931 356 HA GLU 44 HA GLU 44 14.698 4.297 4.297 357 1HB GLU 44 1HB GLU 44 13.134 6.110 6.110 358 2HB GLU 44 2HB GLU 44 11.782 5.059 5.059 359 1HG GLU 44 1HG GLU 44 14.205 5.180 5.180 360 2HG GLU 44 2HG GLU 44 12.907 6.358 6.358 361 H THR 45 H THR 45 11.544 2.588 2.588 362 HA THR 45 HA THR 45 12.559 0.563 0.563 363 HB THR 45 HB THR 45 10.009 0.603 0.603 364 HG1 THR 45 HG1 THR 45 10.567 1.299 1.299 365 1HG2 THR 45 3HG2 THR 45 10.651 -1.109 -1.109 366 2HG2 THR 45 1HG2 THR 45 9.054 -0.952 -0.952 367 3HG2 THR 45 2HG2 THR 45 10.386 -1.728 -1.728 368 H PHE 46 H PHE 46 11.712 0.260 0.260 369 HA PHE 46 HA PHE 46 13.000 -2.361 -2.361 370 1HB PHE 46 1HB PHE 46 11.231 -1.411 -1.411 371 2HB PHE 46 2HB PHE 46 12.359 -0.215 -0.215 372 HD1 PHE 46 HD2 PHE 46 11.766 -3.943 -3.943 373 HD2 PHE 46 HD1 PHE 46 13.954 -0.797 -0.797 374 HE1 PHE 46 HE2 PHE 46 12.623 -5.552 -5.552 375 HE2 PHE 46 HE1 PHE 46 14.794 -2.420 -2.420 376 HZ PHE 46 HZ PHE 46 14.141 -4.798 -4.798 377 H GLN 47 H GLN 47 14.268 0.972 0.972 378 HA GLN 47 HA GLN 47 16.867 0.191 0.191 379 1HB GLN 47 1HB GLN 47 16.190 2.724 2.724 380 2HB GLN 47 2HB GLN 47 17.696 2.464 2.464 381 1HG GLN 47 1HG GLN 47 14.916 2.668 2.668 382 2HG GLN 47 2HG GLN 47 16.140 3.914 3.914 383 1HE2 GLN 47 2HE2 GLN 47 16.329 1.224 1.224 384 2HE2 GLN 47 1HE2 GLN 47 14.945 1.334 1.334 385 H LYS 48 H LYS 48 15.902 0.511 0.511 386 HA LYS 48 HA LYS 48 18.473 -0.124 -0.124 387 1HB LYS 48 1HB LYS 48 15.612 -0.591 -0.591 388 2HB LYS 48 2HB LYS 48 17.002 -1.083 -1.083 389 1HG LYS 48 1HG LYS 48 17.851 1.149 1.149 390 2HG LYS 48 2HG LYS 48 16.853 1.801 1.801 391 1HD LYS 48 1HD LYS 48 15.900 2.559 2.559 392 2HD LYS 48 2HD LYS 48 14.775 1.404 1.404 393 1HE LYS 48 1HE LYS 48 16.779 0.626 0.626 394 2HE LYS 48 2HE LYS 48 15.235 1.374 1.374 395 1HZ LYS 48 3HZ LYS 48 14.106 -0.476 -0.476 396 2HZ LYS 48 1HZ LYS 48 15.548 -1.202 -1.202 397 3HZ LYS 48 2HZ LYS 48 15.077 -1.011 -1.011 398 H VAL 49 H VAL 49 15.926 -2.349 -2.349 399 HA VAL 49 HA VAL 49 17.387 -4.833 -4.833 400 HB VAL 49 HB VAL 49 15.359 -4.606 -4.606 401 1HG1 VAL 49 3HG1 VAL 49 16.598 -6.779 -6.779 402 2HG1 VAL 49 1HG1 VAL 49 16.141 -7.035 -7.035 403 3HG1 VAL 49 2HG1 VAL 49 14.898 -7.028 -7.028 404 1HG2 VAL 49 1HG2 VAL 49 14.690 -5.165 -5.165 405 2HG2 VAL 49 2HG2 VAL 49 14.186 -3.739 -3.739 406 3HG2 VAL 49 3HG2 VAL 49 13.550 -5.329 -5.329 407 H LYS 50 H LYS 50 17.085 -2.991 -2.991 408 HA LYS 50 HA LYS 50 18.585 -4.740 -4.740 409 1HB LYS 50 1HB LYS 50 16.995 -2.787 -2.787 410 2HB LYS 50 2HB LYS 50 18.326 -1.679 -1.679 411 1HG LYS 50 1HG LYS 50 19.616 -3.046 -3.046 412 2HG LYS 50 2HG LYS 50 18.095 -3.886 -3.886 413 1HD LYS 50 1HD LYS 50 17.900 -2.196 -2.196 414 2HD LYS 50 2HD LYS 50 17.004 -1.505 -1.505 415 1HE LYS 50 1HE LYS 50 18.357 0.281 0.281 416 2HE LYS 50 2HE LYS 50 19.096 -0.142 -0.142 417 1HZ LYS 50 2HZ LYS 50 20.065 -1.032 -1.032 418 2HZ LYS 50 3HZ LYS 50 20.751 0.136 0.136 419 3HZ LYS 50 1HZ LYS 50 20.766 -1.440 -1.440 420 H GLU 51 H GLU 51 19.890 -1.751 -1.751 421 HA GLU 51 HA GLU 51 22.657 -2.037 -2.037 422 1HB GLU 51 1HB GLU 51 23.209 -0.444 -0.444 423 2HB GLU 51 2HB GLU 51 21.695 0.018 0.018 424 1HG GLU 51 1HG GLU 51 20.503 -1.037 -1.037 425 2HG GLU 51 2HG GLU 51 22.095 -1.211 -1.211 426 H LYS 52 H LYS 52 20.962 -3.934 -3.934 427 HA LYS 52 HA LYS 52 23.505 -4.941 -4.941 428 1HB LYS 52 1HB LYS 52 20.558 -5.571 -5.571 429 2HB LYS 52 2HB LYS 52 21.941 -6.248 -6.248 430 1HG LYS 52 1HG LYS 52 22.625 -3.977 -3.977 431 2HG LYS 52 2HG LYS 52 21.301 -3.237 -3.237 432 1HD LYS 52 1HD LYS 52 19.639 -4.625 -4.625 433 2HD LYS 52 2HD LYS 52 20.958 -5.254 -5.254 434 1HE LYS 52 1HE LYS 52 20.200 -2.254 -2.254 435 2HE LYS 52 2HE LYS 52 19.649 -3.324 -3.324 436 1HZ LYS 52 1HZ LYS 52 21.965 -3.642 -3.642 437 2HZ LYS 52 2HZ LYS 52 22.501 -2.639 -2.639 438 3HZ LYS 52 3HZ LYS 52 21.559 -2.039 -2.039 439 H LEU 53 H LEU 53 20.607 -6.301 -6.301 440 HA LEU 53 HA LEU 53 22.095 -8.920 -8.920 441 1HB LEU 53 1HB LEU 53 19.110 -8.362 -8.362 442 2HB LEU 53 2HB LEU 53 19.863 -9.938 -9.938 443 HG LEU 53 HG LEU 53 19.940 -8.086 -8.086 444 1HD1 LEU 53 2HD2 LEU 53 17.663 -8.988 -8.988 445 2HD1 LEU 53 3HD2 LEU 53 18.299 -10.652 -10.652 446 3HD1 LEU 53 1HD2 LEU 53 18.347 -9.689 -9.689 447 1HD2 LEU 53 3HD1 LEU 53 20.981 -10.984 -10.984 448 2HD2 LEU 53 1HD1 LEU 53 21.976 -9.526 -9.526 449 3HD2 LEU 53 2HD1 LEU 53 20.867 -10.053 -10.053 450 H LYS 54 H LYS 54 19.613 -9.092 -9.092 451 HA LYS 54 HA LYS 54 19.602 -9.402 -9.402 452 1HB LYS 54 1HB LYS 54 19.304 -6.897 -6.897 453 2HB LYS 54 2HB LYS 54 21.015 -6.692 -6.692 454 1HG LYS 54 1HG LYS 54 20.627 -7.920 -7.920 455 2HG LYS 54 2HG LYS 54 18.927 -8.032 -8.032 456 1HD LYS 54 1HD LYS 54 19.163 -6.200 -6.200 457 2HD LYS 54 2HD LYS 54 18.766 -5.510 -5.510 458 1HE LYS 54 1HE LYS 54 21.203 -4.875 -4.875 459 2HE LYS 54 2HE LYS 54 21.637 -5.658 -5.658 460 1HZ LYS 54 3HZ LYS 54 20.202 -4.063 -4.063 461 2HZ LYS 54 1HZ LYS 54 19.795 -3.332 -3.332 462 3HZ LYS 54 2HZ LYS 54 21.356 -3.279 -3.279 463 H ILE 55 H ILE 55 22.455 -8.028 -8.028 464 HA ILE 55 HA ILE 55 24.072 -10.518 -10.518 465 HB ILE 55 HB ILE 55 23.786 -9.712 -9.712 466 1HG1 ILE 55 1HG1 ILE 55 26.688 -9.294 -9.294 467 2HG1 ILE 55 2HG1 ILE 55 25.874 -10.852 -10.852 468 1HG2 ILE 55 1HG2 ILE 55 23.569 -7.192 -7.192 469 2HG2 ILE 55 2HG2 ILE 55 25.330 -7.101 -7.101 470 3HG2 ILE 55 3HG2 ILE 55 24.655 -7.645 -7.645 471 1HD1 ILE 55 3HD1 ILE 55 25.451 -10.643 -10.643 472 2HD1 ILE 55 1HD1 ILE 55 26.360 -9.106 -9.106 473 3HD1 ILE 55 2HD1 ILE 55 27.185 -10.626 -10.626 474 H ASP 56 H ASP 56 24.730 -7.012 -7.012 475 HA ASP 56 HA ASP 56 25.716 -7.353 -7.353 476 1HB ASP 56 1HB ASP 56 27.652 -6.217 -6.217 477 2HB ASP 56 2HB ASP 56 27.840 -5.993 -5.993 478 H SER 57 H SER 57 26.411 -4.463 -4.463 479 HA SER 57 HA SER 57 24.373 -2.902 -2.902 480 1HB SER 57 1HB SER 57 26.274 -2.024 -2.024 481 2HB SER 57 2HB SER 57 25.209 -0.947 -0.947 482 HG SER 57 HG SER 57 26.239 -1.642 -1.642 Start of MODEL 2 1 1H THR 1 2H THR 1 -11.786 3.710 3.710 2 2H THR 1 3H THR 1 -11.969 4.121 4.121 3 3H THR 1 1H THR 1 -10.927 4.972 4.972 4 HA THR 1 HA THR 1 -9.525 3.101 3.101 5 HB THR 1 HB THR 1 -10.166 3.921 3.921 6 HG1 THR 1 HG1 THR 1 -9.398 5.446 5.446 7 1HG2 THR 1 3HG2 THR 1 -7.578 2.408 2.408 8 2HG2 THR 1 1HG2 THR 1 -7.937 3.211 3.211 9 3HG2 THR 1 2HG2 THR 1 -8.876 1.802 1.802 10 HA PRO 2 HA PRO 2 -12.513 -0.389 -0.389 11 1HB PRO 2 1HB PRO 2 -11.315 -2.414 -2.414 12 2HB PRO 2 2HB PRO 2 -12.017 -0.993 -0.993 13 1HG PRO 2 1HG PRO 2 -9.086 -1.454 -1.454 14 2HG PRO 2 2HG PRO 2 -9.787 -0.878 -0.878 15 1HD PRO 2 1HD PRO 2 -8.732 0.845 0.845 16 2HD PRO 2 2HD PRO 2 -10.148 1.323 1.323 17 H ASP 3 H ASP 3 -12.376 -0.644 -0.644 18 HA ASP 3 HA ASP 3 -10.256 -2.420 -2.420 19 1HB ASP 3 1HB ASP 3 -10.780 -0.062 -0.062 20 2HB ASP 3 2HB ASP 3 -12.389 -0.592 -0.592 21 H VAL 4 H VAL 4 -10.643 -4.368 -4.368 22 HA VAL 4 HA VAL 4 -13.465 -5.376 -5.376 23 HB VAL 4 HB VAL 4 -12.914 -5.771 -5.771 24 1HG1 VAL 4 3HG1 VAL 4 -10.445 -6.224 -6.224 25 2HG1 VAL 4 1HG1 VAL 4 -10.758 -7.818 -7.818 26 3HG1 VAL 4 2HG1 VAL 4 -11.363 -7.444 -7.444 27 1HG2 VAL 4 1HG2 VAL 4 -14.553 -7.194 -7.194 28 2HG2 VAL 4 2HG2 VAL 4 -13.789 -8.034 -8.034 29 3HG2 VAL 4 3HG2 VAL 4 -13.277 -8.398 -8.398 30 H SER 5 H SER 5 -11.398 -7.890 -7.890 31 HA SER 5 HA SER 5 -11.066 -9.439 -9.439 32 1HB SER 5 1HB SER 5 -9.171 -7.962 -7.962 33 2HB SER 5 2HB SER 5 -10.239 -7.117 -7.117 34 HG SER 5 HG SER 5 -9.675 -9.903 -9.903 35 H SER 6 H SER 6 -13.469 -9.209 -9.209 36 HA SER 6 HA SER 6 -15.698 -9.126 -9.126 37 1HB SER 6 1HB SER 6 -15.256 -11.049 -11.049 38 2HB SER 6 2HB SER 6 -15.041 -9.999 -9.999 39 HG SER 6 HG SER 6 -17.177 -9.244 -9.244 40 H ALA 7 H ALA 7 -15.105 -6.772 -6.772 41 HA ALA 7 HA ALA 7 -16.735 -5.125 -5.125 42 1HB ALA 7 2HB ALA 7 -14.362 -4.399 -4.399 43 2HB ALA 7 3HB ALA 7 -14.238 -4.020 -4.020 44 3HB ALA 7 1HB ALA 7 -15.362 -3.109 -3.109 45 H LEU 8 H LEU 8 -15.398 -5.012 -5.012 46 HA LEU 8 HA LEU 8 -17.870 -3.942 -3.942 47 1HB LEU 8 1HB LEU 8 -15.530 -3.836 -3.836 48 2HB LEU 8 2HB LEU 8 -15.580 -5.554 -5.554 49 HG LEU 8 HG LEU 8 -17.469 -5.283 -5.283 50 1HD1 LEU 8 1HD1 LEU 8 -17.149 -2.232 -2.232 51 2HD1 LEU 8 2HD1 LEU 8 -18.124 -3.028 -3.028 52 3HD1 LEU 8 3HD1 LEU 8 -18.575 -3.195 -3.195 53 1HD2 LEU 8 3HD2 LEU 8 -15.105 -5.291 -5.291 54 2HD2 LEU 8 1HD2 LEU 8 -16.118 -4.254 -4.254 55 3HD2 LEU 8 2HD2 LEU 8 -15.015 -3.521 -3.521 56 H ASP 9 H ASP 9 -16.852 -7.213 -7.213 57 HA ASP 9 HA ASP 9 -18.982 -8.616 -8.616 58 1HB ASP 9 1HB ASP 9 -16.808 -9.664 -9.664 59 2HB ASP 9 2HB ASP 9 -17.810 -9.759 -9.759 60 H LYS 10 H LYS 10 -18.899 -7.710 -7.710 61 HA LYS 10 HA LYS 10 -21.727 -8.512 -8.512 62 1HB LYS 10 2HB LYS 10 -21.513 -7.932 -7.932 63 2HB LYS 10 1HB LYS 10 -20.121 -8.856 -8.856 64 1HG LYS 10 1HG LYS 10 -18.796 -6.624 -6.624 65 2HG LYS 10 2HG LYS 10 -20.211 -5.826 -5.826 66 1HD LYS 10 1HD LYS 10 -20.053 -7.393 -7.393 67 2HD LYS 10 2HD LYS 10 -18.560 -8.052 -8.052 68 1HE LYS 10 1HE LYS 10 -17.542 -5.688 -5.688 69 2HE LYS 10 2HE LYS 10 -19.031 -5.088 -5.088 70 1HZ LYS 10 3HZ LYS 10 -18.645 -6.607 -6.607 71 2HZ LYS 10 1HZ LYS 10 -17.254 -7.171 -7.171 72 3HZ LYS 10 2HZ LYS 10 -17.357 -5.593 -5.593 73 H LEU 11 H LEU 11 -20.162 -5.294 -5.294 74 HA LEU 11 HA LEU 11 -22.746 -3.830 -3.830 75 1HB LEU 11 1HB LEU 11 -20.062 -2.693 -2.693 76 2HB LEU 11 2HB LEU 11 -21.464 -1.775 -1.775 77 HG LEU 11 HG LEU 11 -19.872 -3.637 -3.637 78 1HD1 LEU 11 2HD1 LEU 11 -18.472 -1.737 -1.737 79 2HD1 LEU 11 3HD1 LEU 11 -19.724 -0.570 -0.570 80 3HD1 LEU 11 1HD1 LEU 11 -18.893 -1.557 -1.557 81 1HD2 LEU 11 2HD2 LEU 11 -22.081 -1.579 -1.579 82 2HD2 LEU 11 3HD2 LEU 11 -22.220 -3.349 -3.349 83 3HD2 LEU 11 1HD2 LEU 11 -21.097 -2.477 -2.477 84 H LYS 12 H LYS 12 -20.498 -4.107 -4.107 85 HA LYS 12 HA LYS 12 -20.778 -4.218 -4.218 86 1HB LYS 12 1HB LYS 12 -22.382 -5.601 -5.601 87 2HB LYS 12 2HB LYS 12 -21.680 -6.298 -6.298 88 1HG LYS 12 1HG LYS 12 -23.814 -5.837 -5.837 89 2HG LYS 12 2HG LYS 12 -24.536 -5.172 -5.172 90 1HD LYS 12 1HD LYS 12 -24.134 -7.445 -7.445 91 2HD LYS 12 2HD LYS 12 -23.438 -8.036 -8.036 92 1HE LYS 12 1HE LYS 12 -25.691 -8.868 -8.868 93 2HE LYS 12 2HE LYS 12 -25.655 -7.637 -7.637 94 1HZ LYS 12 2HZ LYS 12 -26.685 -7.242 -7.242 95 2HZ LYS 12 3HZ LYS 12 -27.605 -7.417 -7.417 96 3HZ LYS 12 1HZ LYS 12 -26.661 -6.075 -6.075 97 H GLU 13 H GLU 13 -24.051 -3.040 -3.040 98 HA GLU 13 HA GLU 13 -23.682 -0.999 -0.999 99 1HB GLU 13 1HB GLU 13 -26.031 -0.311 -0.311 100 2HB GLU 13 2HB GLU 13 -25.781 -1.954 -1.954 101 1HG GLU 13 1HG GLU 13 -27.616 -2.057 -2.057 102 2HG GLU 13 2HG GLU 13 -26.299 -2.797 -2.797 103 H PHE 14 H PHE 14 -24.109 -1.025 -1.025 104 HA PHE 14 HA PHE 14 -23.421 1.863 1.863 105 1HB PHE 14 1HB PHE 14 -24.782 0.554 0.554 106 2HB PHE 14 2HB PHE 14 -23.377 -0.398 -0.398 107 HD1 PHE 14 HD1 PHE 14 -24.747 3.127 3.127 108 HD2 PHE 14 HD2 PHE 14 -21.752 0.505 0.505 109 HE1 PHE 14 HE1 PHE 14 -24.133 4.839 4.839 110 HE2 PHE 14 HE2 PHE 14 -21.151 2.226 2.226 111 HZ PHE 14 HZ PHE 14 -22.340 4.394 4.394 112 H GLY 15 H GLY 15 -21.569 -1.153 -1.153 113 1HA GLY 15 1HA GLY 15 -18.932 -0.116 -0.116 114 2HA GLY 15 2HA GLY 15 -19.152 -1.556 -1.556 115 H ASN 16 H ASN 16 -20.166 -0.776 -0.776 116 HA ASN 16 HA ASN 16 -17.904 0.347 0.347 117 1HB ASN 16 1HB ASN 16 -19.794 -1.247 -1.247 118 2HB ASN 16 2HB ASN 16 -20.759 0.173 0.173 119 1HD2 ASN 16 1HD2 ASN 16 -17.656 -0.647 -0.647 120 2HD2 ASN 16 2HD2 ASN 16 -17.829 -1.527 -1.527 121 H THR 17 H THR 17 -20.916 2.068 2.068 122 HA THR 17 HA THR 17 -20.374 4.470 4.470 123 HB THR 17 HB THR 17 -22.623 3.847 3.847 124 HG1 THR 17 HG1 THR 17 -23.210 5.981 5.981 125 1HG2 THR 17 2HG2 THR 17 -22.213 3.366 3.366 126 2HG2 THR 17 3HG2 THR 17 -21.994 5.116 5.116 127 3HG2 THR 17 1HG2 THR 17 -23.554 4.490 4.490 128 H LEU 18 H LEU 18 -19.641 3.876 3.876 129 HA LEU 18 HA LEU 18 -17.437 6.003 6.003 130 1HB LEU 18 1HB LEU 18 -17.155 6.084 6.084 131 2HB LEU 18 2HB LEU 18 -18.754 6.563 6.563 132 HG LEU 18 HG LEU 18 -18.469 3.643 3.643 133 1HD1 LEU 18 2HD1 LEU 18 -16.971 4.710 4.710 134 2HD1 LEU 18 3HD1 LEU 18 -18.250 5.864 5.864 135 3HD1 LEU 18 1HD1 LEU 18 -18.459 4.121 4.121 136 1HD2 LEU 18 3HD2 LEU 18 -20.730 4.642 4.642 137 2HD2 LEU 18 1HD2 LEU 18 -20.671 4.049 4.049 138 3HD2 LEU 18 2HD2 LEU 18 -20.549 5.798 5.798 139 H GLU 19 H GLU 19 -17.288 3.652 3.652 140 HA GLU 19 HA GLU 19 -14.331 3.670 3.670 141 1HB GLU 19 1HB GLU 19 -15.778 1.410 1.410 142 2HB GLU 19 2HB GLU 19 -14.070 1.544 1.544 143 1HG GLU 19 1HG GLU 19 -13.794 0.989 0.989 144 2HG GLU 19 2HG GLU 19 -15.466 1.296 1.296 145 H ASP 20 H ASP 20 -15.559 5.737 5.737 146 HA ASP 20 HA ASP 20 -14.519 6.262 6.262 147 1HB ASP 20 1HB ASP 20 -16.590 4.829 4.829 148 2HB ASP 20 2HB ASP 20 -17.612 6.059 6.059 149 H LYS 21 H LYS 21 -17.190 7.338 7.338 150 HA LYS 21 HA LYS 21 -16.101 10.121 10.121 151 1HB LYS 21 1HB LYS 21 -17.520 10.747 10.747 152 2HB LYS 21 2HB LYS 21 -18.461 9.913 9.913 153 1HG LYS 21 1HG LYS 21 -18.707 7.938 7.938 154 2HG LYS 21 2HG LYS 21 -17.664 8.676 8.676 155 1HD LYS 21 1HD LYS 21 -19.300 10.625 10.625 156 2HD LYS 21 2HD LYS 21 -20.350 9.832 9.832 157 1HE LYS 21 1HE LYS 21 -20.635 7.866 7.866 158 2HE LYS 21 2HE LYS 21 -19.563 8.651 8.651 159 1HZ LYS 21 3HZ LYS 21 -22.156 9.759 9.759 160 2HZ LYS 21 1HZ LYS 21 -21.891 9.060 9.060 161 3HZ LYS 21 2HZ LYS 21 -21.161 10.493 10.493 162 H ALA 22 H ALA 22 -15.662 7.162 7.162 163 HA ALA 22 HA ALA 22 -13.251 8.421 8.421 164 1HB ALA 22 1HB ALA 22 -14.712 6.871 6.871 165 2HB ALA 22 2HB ALA 22 -14.223 5.546 5.546 166 3HB ALA 22 3HB ALA 22 -13.006 6.360 6.360 167 H ARG 23 H ARG 23 -13.047 8.515 8.515 168 HA ARG 23 HA ARG 23 -10.508 6.899 6.899 169 1HB ARG 23 1HB ARG 23 -12.388 6.553 6.553 170 2HB ARG 23 2HB ARG 23 -12.253 8.234 8.234 171 1HG ARG 23 1HG ARG 23 -9.896 7.844 7.844 172 2HG ARG 23 2HG ARG 23 -9.948 6.180 6.180 173 1HD ARG 23 1HD ARG 23 -11.780 7.377 7.377 174 2HD ARG 23 2HD ARG 23 -10.302 6.462 6.462 175 HE ARG 23 HE ARG 23 -11.866 4.692 4.692 176 1HH1 ARG 23 1HH1 ARG 23 -12.324 6.297 6.297 177 2HH1 ARG 23 2HH1 ARG 23 -13.431 4.939 4.939 178 1HH2 ARG 23 1HH2 ARG 23 -13.138 3.207 3.207 179 2HH2 ARG 23 2HH2 ARG 23 -13.859 3.308 3.308 180 H GLU 24 H GLU 24 -11.846 10.133 10.133 181 HA GLU 24 HA GLU 24 -9.337 11.590 11.590 182 1HB GLU 24 1HB GLU 24 -12.235 12.607 12.607 183 2HB GLU 24 2HB GLU 24 -10.831 13.659 13.659 184 1HG GLU 24 1HG GLU 24 -10.230 12.779 12.779 185 2HG GLU 24 2HG GLU 24 -11.621 11.701 11.701 186 H LEU 25 H LEU 25 -11.643 10.775 10.775 187 HA LEU 25 HA LEU 25 -10.322 12.531 12.531 188 1HB LEU 25 2HB LEU 25 -12.289 10.194 10.194 189 2HB LEU 25 1HB LEU 25 -11.388 10.781 10.781 190 HG LEU 25 HG LEU 25 -12.269 13.152 13.152 191 1HD1 LEU 25 3HD1 LEU 25 -13.221 12.782 12.782 192 2HD1 LEU 25 1HD1 LEU 25 -14.431 11.675 11.675 193 3HD1 LEU 25 2HD1 LEU 25 -14.426 13.391 13.391 194 1HD2 LEU 25 3HD2 LEU 25 -13.043 11.734 11.734 195 2HD2 LEU 25 1HD2 LEU 25 -14.385 12.692 12.692 196 3HD2 LEU 25 2HD2 LEU 25 -14.264 10.957 10.957 197 H ILE 26 H ILE 26 -9.843 9.101 9.101 198 HA ILE 26 HA ILE 26 -7.719 8.572 8.572 199 HB ILE 26 HB ILE 26 -8.193 7.077 7.077 200 1HG1 ILE 26 1HG1 ILE 26 -10.300 6.939 6.939 201 2HG1 ILE 26 2HG1 ILE 26 -9.516 5.384 5.384 202 1HG2 ILE 26 2HG2 ILE 26 -5.995 6.493 6.493 203 2HG2 ILE 26 3HG2 ILE 26 -6.722 6.143 6.143 204 3HG2 ILE 26 1HG2 ILE 26 -7.093 5.121 5.121 205 1HD1 ILE 26 1HD1 ILE 26 -9.737 7.385 7.385 206 2HD1 ILE 26 2HD1 ILE 26 -10.667 5.885 5.885 207 3HD1 ILE 26 3HD1 ILE 26 -8.915 5.802 5.802 208 H SER 27 H SER 27 -7.607 9.651 9.651 209 HA SER 27 HA SER 27 -4.726 9.844 9.844 210 1HB SER 27 1HB SER 27 -6.900 11.605 11.605 211 2HB SER 27 2HB SER 27 -5.207 11.550 11.550 212 HG SER 27 HG SER 27 -6.510 10.172 10.172 213 H ARG 28 H ARG 28 -6.956 12.341 12.341 214 HA ARG 28 HA ARG 28 -4.652 14.156 14.156 215 1HB ARG 28 1HB ARG 28 -7.045 14.884 14.884 216 2HB ARG 28 2HB ARG 28 -7.574 14.515 14.515 217 1HG ARG 28 1HG ARG 28 -5.872 16.228 16.228 218 2HG ARG 28 2HG ARG 28 -5.347 16.519 16.519 219 1HD ARG 28 1HD ARG 28 -7.702 17.288 17.288 220 2HD ARG 28 2HD ARG 28 -8.213 17.026 17.026 221 HE ARG 28 HE ARG 28 -6.539 19.291 19.291 222 1HH1 ARG 28 1HH1 ARG 28 -7.495 17.594 17.594 223 2HH1 ARG 28 2HH1 ARG 28 -7.078 19.080 19.080 224 1HH2 ARG 28 1HH2 ARG 28 -6.100 20.916 20.916 225 2HH2 ARG 28 2HH2 ARG 28 -6.342 20.832 20.832 226 H ILE 29 H ILE 29 -6.063 11.473 11.473 227 HA ILE 29 HA ILE 29 -5.044 12.442 12.442 228 HB ILE 29 HB ILE 29 -6.918 10.225 10.225 229 1HG1 ILE 29 1HG1 ILE 29 -7.907 12.488 12.488 230 2HG1 ILE 29 2HG1 ILE 29 -8.587 11.320 11.320 231 1HG2 ILE 29 1HG2 ILE 29 -5.763 10.444 10.444 232 2HG2 ILE 29 2HG2 ILE 29 -7.229 9.513 9.513 233 3HG2 ILE 29 3HG2 ILE 29 -5.661 9.066 9.066 234 1HD1 ILE 29 3HD1 ILE 29 -7.213 12.320 12.320 235 2HD1 ILE 29 1HD1 ILE 29 -6.558 13.523 13.523 236 3HD1 ILE 29 2HD1 ILE 29 -8.299 13.504 13.504 237 H LYS 30 H LYS 30 -4.920 9.278 9.278 238 HA LYS 30 HA LYS 30 -2.258 8.680 8.680 239 1HB LYS 30 1HB LYS 30 -3.650 7.283 7.283 240 2HB LYS 30 2HB LYS 30 -2.230 6.667 6.667 241 1HG LYS 30 1HG LYS 30 -5.031 6.938 6.938 242 2HG LYS 30 2HG LYS 30 -4.222 5.462 5.462 243 1HD LYS 30 1HD LYS 30 -3.425 7.303 7.303 244 2HD LYS 30 2HD LYS 30 -4.284 5.776 5.776 245 1HE LYS 30 1HE LYS 30 -2.256 4.541 4.541 246 2HE LYS 30 2HE LYS 30 -1.375 6.074 6.074 247 1HZ LYS 30 2HZ LYS 30 -1.635 6.323 6.323 248 2HZ LYS 30 3HZ LYS 30 -2.454 4.892 4.892 249 3HZ LYS 30 1HZ LYS 30 -0.869 4.905 4.905 250 H GLN 31 H GLN 31 -2.791 10.683 10.683 251 HA GLN 31 HA GLN 31 0.101 11.131 11.131 252 1HB GLN 31 1HB GLN 31 -1.483 10.895 10.895 253 2HB GLN 31 2HB GLN 31 -0.021 11.838 11.838 254 1HG GLN 31 1HG GLN 31 1.277 9.781 9.781 255 2HG GLN 31 2HG GLN 31 -0.181 8.816 8.816 256 1HE2 GLN 31 2HE2 GLN 31 1.902 9.733 9.733 257 2HE2 GLN 31 1HE2 GLN 31 2.392 10.359 10.359 258 H SER 32 H SER 32 -1.239 12.439 12.439 259 HA SER 32 HA SER 32 -2.512 14.893 14.893 260 1HB SER 32 1HB SER 32 -2.753 13.842 13.842 261 2HB SER 32 2HB SER 32 -1.112 14.363 14.363 262 HG SER 32 HG SER 32 -1.805 16.509 16.509 263 H GLU 33 H GLU 33 -1.800 16.986 16.986 264 HA GLU 33 HA GLU 33 1.133 17.492 17.492 265 1HB GLU 33 1HB GLU 33 0.612 19.580 19.580 266 2HB GLU 33 2HB GLU 33 -0.493 18.432 18.432 267 1HG GLU 33 1HG GLU 33 -1.179 20.464 20.464 268 2HG GLU 33 2HG GLU 33 -1.461 20.698 20.698 269 H LEU 34 H LEU 34 0.090 16.952 16.952 270 HA LEU 34 HA LEU 34 1.646 19.060 19.060 271 1HB LEU 34 1HB LEU 34 -0.376 17.979 17.979 272 2HB LEU 34 2HB LEU 34 0.364 16.425 16.425 273 HG LEU 34 HG LEU 34 0.797 18.577 18.577 274 1HD1 LEU 34 2HD1 LEU 34 -0.302 16.357 16.357 275 2HD1 LEU 34 3HD1 LEU 34 1.220 15.516 15.516 276 3HD1 LEU 34 1HD1 LEU 34 1.126 16.612 16.612 277 1HD2 LEU 34 3HD2 LEU 34 3.128 18.683 18.683 278 2HD2 LEU 34 1HD2 LEU 34 3.072 17.986 17.986 279 3HD2 LEU 34 2HD2 LEU 34 3.307 16.922 16.922 280 H SER 35 H SER 35 1.517 15.563 15.563 281 HA SER 35 HA SER 35 4.558 15.300 15.300 282 1HB SER 35 1HB SER 35 2.287 13.258 13.258 283 2HB SER 35 2HB SER 35 4.016 12.867 12.867 284 HG SER 35 HG SER 35 2.633 14.498 14.498 285 H ALA 36 H ALA 36 5.026 16.049 16.049 286 HA ALA 36 HA ALA 36 4.499 14.319 14.319 287 1HB ALA 36 2HB ALA 36 4.017 16.704 16.704 288 2HB ALA 36 3HB ALA 36 5.660 17.168 17.168 289 3HB ALA 36 1HB ALA 36 5.424 16.150 16.150 290 H LYS 37 H LYS 37 6.916 15.565 15.565 291 HA LYS 37 HA LYS 37 9.186 13.992 13.992 292 1HB LYS 37 1HB LYS 37 9.296 15.934 15.934 293 2HB LYS 37 2HB LYS 37 10.651 14.967 14.967 294 1HG LYS 37 1HG LYS 37 9.260 17.100 17.100 295 2HG LYS 37 2HG LYS 37 10.716 17.344 17.344 296 1HD LYS 37 1HD LYS 37 11.934 15.593 15.593 297 2HD LYS 37 2HD LYS 37 10.486 15.335 15.335 298 1HE LYS 37 1HE LYS 37 10.553 17.759 17.759 299 2HE LYS 37 2HE LYS 37 12.019 18.014 18.014 300 1HZ LYS 37 2HZ LYS 37 11.756 16.068 16.068 301 2HZ LYS 37 3HZ LYS 37 12.542 17.520 17.520 302 3HZ LYS 37 1HZ LYS 37 13.126 16.304 16.304 303 H MET 38 H MET 38 7.299 14.067 14.067 304 HA MET 38 HA MET 38 8.336 11.571 11.571 305 1HB MET 38 1HB MET 38 7.424 13.447 13.447 306 2HB MET 38 2HB MET 38 5.928 13.469 13.469 307 1HG MET 38 1HG MET 38 5.810 12.647 12.647 308 2HG MET 38 2HG MET 38 5.039 11.637 11.637 309 1HE MET 38 3HE MET 38 7.966 11.910 11.910 310 2HE MET 38 2HE MET 38 8.995 10.495 10.495 311 3HE MET 38 1HE MET 38 8.969 11.902 11.902 312 H ARG 39 H ARG 39 5.837 12.163 12.163 313 HA ARG 39 HA ARG 39 5.077 9.236 9.236 314 1HB ARG 39 1HB ARG 39 3.998 11.549 11.549 315 2HB ARG 39 2HB ARG 39 4.116 10.042 10.042 316 1HG ARG 39 1HG ARG 39 1.964 9.954 9.954 317 2HG ARG 39 2HG ARG 39 2.887 8.833 8.833 318 1HD ARG 39 1HD ARG 39 3.099 10.862 10.862 319 2HD ARG 39 2HD ARG 39 1.842 11.633 11.633 320 HE ARG 39 HE ARG 39 1.358 8.825 8.825 321 1HH1 ARG 39 1HH1 ARG 39 0.616 12.283 12.283 322 2HH1 ARG 39 2HH1 ARG 39 -0.755 11.883 11.883 323 1HH2 ARG 39 1HH2 ARG 39 -0.248 8.486 8.486 324 2HH2 ARG 39 2HH2 ARG 39 -1.208 9.879 9.879 325 H GLU 40 H GLU 40 7.345 11.229 11.229 326 HA GLU 40 HA GLU 40 8.387 9.053 9.053 327 1HB GLU 40 1HB GLU 40 9.681 11.603 11.603 328 2HB GLU 40 2HB GLU 40 10.574 10.446 10.446 329 1HG GLU 40 1HG GLU 40 9.087 10.683 10.683 330 2HG GLU 40 2HG GLU 40 7.915 11.607 11.607 331 H TRP 41 H TRP 41 9.247 10.109 10.109 332 HA TRP 41 HA TRP 41 11.219 7.988 7.988 333 1HB TRP 41 1HB TRP 41 11.063 10.173 10.173 334 2HB TRP 41 2HB TRP 41 9.518 9.705 9.705 335 HD1 TRP 41 HD1 TRP 41 13.301 9.220 9.220 336 HE1 TRP 41 HE1 TRP 41 13.820 7.939 7.939 337 HE3 TRP 41 HE3 TRP 41 8.513 7.743 7.743 338 HZ2 TRP 41 HZ2 TRP 41 12.178 6.507 6.507 339 HZ3 TRP 41 HZ3 TRP 41 8.044 6.408 6.408 340 HH2 TRP 41 HH2 TRP 41 9.845 5.797 5.797 341 H PHE 42 H PHE 42 7.619 8.022 8.022 342 HA PHE 42 HA PHE 42 7.518 5.455 5.455 343 1HB PHE 42 1HB PHE 42 5.316 6.783 6.783 344 2HB PHE 42 2HB PHE 42 5.081 5.314 5.314 345 HD1 PHE 42 HD2 PHE 42 6.299 5.813 5.813 346 HD2 PHE 42 HD1 PHE 42 3.853 8.316 8.316 347 HE1 PHE 42 HE2 PHE 42 5.512 7.040 7.040 348 HE2 PHE 42 HE1 PHE 42 3.085 9.534 9.534 349 HZ PHE 42 HZ PHE 42 3.908 8.902 8.902 350 H SER 43 H SER 43 7.655 6.245 6.245 351 HA SER 43 HA SER 43 7.216 3.458 3.458 352 1HB SER 43 1HB SER 43 8.374 5.930 5.930 353 2HB SER 43 2HB SER 43 8.068 4.365 4.365 354 HG SER 43 HG SER 43 6.358 5.808 5.808 355 H GLU 44 H GLU 44 10.105 5.549 5.549 356 HA GLU 44 HA GLU 44 12.101 3.517 3.517 357 1HB GLU 44 1HB GLU 44 12.293 6.081 6.081 358 2HB GLU 44 2HB GLU 44 13.686 5.089 5.089 359 1HG GLU 44 1HG GLU 44 12.005 6.438 6.438 360 2HG GLU 44 2HG GLU 44 13.500 7.058 7.058 361 H THR 45 H THR 45 10.703 4.310 4.310 362 HA THR 45 HA THR 45 12.338 2.374 2.374 363 HB THR 45 HB THR 45 9.687 3.660 3.660 364 HG1 THR 45 HG1 THR 45 11.054 5.061 5.061 365 1HG2 THR 45 3HG2 THR 45 11.820 2.356 2.356 366 2HG2 THR 45 1HG2 THR 45 10.405 3.285 3.285 367 3HG2 THR 45 2HG2 THR 45 10.173 1.734 1.734 368 H PHE 46 H PHE 46 9.070 2.118 2.118 369 HA PHE 46 HA PHE 46 8.538 -0.673 -0.673 370 1HB PHE 46 1HB PHE 46 6.807 0.922 0.922 371 2HB PHE 46 2HB PHE 46 7.585 1.032 1.032 372 HD1 PHE 46 HD2 PHE 46 5.987 -1.503 -1.503 373 HD2 PHE 46 HD1 PHE 46 6.851 -0.452 -0.452 374 HE1 PHE 46 HE2 PHE 46 4.580 -3.363 -3.363 375 HE2 PHE 46 HE1 PHE 46 5.427 -2.303 -2.303 376 HZ PHE 46 HZ PHE 46 4.295 -3.765 -3.765 377 H GLN 47 H GLN 47 10.147 0.667 0.667 378 HA GLN 47 HA GLN 47 10.875 -1.926 -1.926 379 1HB GLN 47 1HB GLN 47 12.134 0.871 0.871 380 2HB GLN 47 2HB GLN 47 12.628 -0.517 -0.517 381 1HG GLN 47 1HG GLN 47 10.415 -0.734 -0.734 382 2HG GLN 47 2HG GLN 47 9.722 0.496 0.496 383 1HE2 GLN 47 2HE2 GLN 47 11.826 1.747 1.747 384 2HE2 GLN 47 1HE2 GLN 47 11.674 -0.026 -0.026 385 H LYS 48 H LYS 48 12.599 0.046 0.046 386 HA LYS 48 HA LYS 48 15.114 -1.431 -1.431 387 1HB LYS 48 1HB LYS 48 14.722 0.819 0.819 388 2HB LYS 48 2HB LYS 48 13.680 0.116 0.116 389 1HG LYS 48 1HG LYS 48 15.653 -1.166 -1.166 390 2HG LYS 48 2HG LYS 48 16.664 -0.551 -0.551 391 1HD LYS 48 1HD LYS 48 17.157 0.784 0.784 392 2HD LYS 48 2HD LYS 48 16.319 1.793 1.793 393 1HE LYS 48 1HE LYS 48 15.390 2.356 2.356 394 2HE LYS 48 2HE LYS 48 14.113 1.499 1.499 395 1HZ LYS 48 1HZ LYS 48 15.986 0.291 0.291 396 2HZ LYS 48 2HZ LYS 48 14.405 0.692 0.692 397 3HZ LYS 48 3HZ LYS 48 14.785 -0.532 -0.532 398 H VAL 49 H VAL 49 12.125 -1.977 -1.977 399 HA VAL 49 HA VAL 49 13.154 -4.462 -4.462 400 HB VAL 49 HB VAL 49 10.198 -3.813 -3.813 401 1HG1 VAL 49 3HG1 VAL 49 10.737 -6.113 -6.113 402 2HG1 VAL 49 1HG1 VAL 49 11.711 -5.412 -5.412 403 3HG1 VAL 49 2HG1 VAL 49 9.951 -5.136 -5.136 404 1HG2 VAL 49 1HG2 VAL 49 12.058 -2.795 -2.795 405 2HG2 VAL 49 2HG2 VAL 49 11.210 -1.778 -1.778 406 3HG2 VAL 49 3HG2 VAL 49 10.278 -2.692 -2.692 407 H LYS 50 H LYS 50 10.745 -3.938 -3.938 408 HA LYS 50 HA LYS 50 10.245 -6.647 -6.647 409 1HB LYS 50 1HB LYS 50 8.957 -4.560 -4.560 410 2HB LYS 50 2HB LYS 50 10.096 -4.345 -4.345 411 1HG LYS 50 1HG LYS 50 9.354 -6.655 -6.655 412 2HG LYS 50 2HG LYS 50 8.254 -6.767 -6.767 413 1HD LYS 50 1HD LYS 50 6.782 -5.934 -5.934 414 2HD LYS 50 2HD LYS 50 7.322 -4.407 -4.407 415 1HE LYS 50 1HE LYS 50 8.881 -4.047 -4.047 416 2HE LYS 50 2HE LYS 50 8.530 -5.636 -5.636 417 1HZ LYS 50 1HZ LYS 50 6.547 -3.430 -3.430 418 2HZ LYS 50 2HZ LYS 50 7.238 -3.928 -3.928 419 3HZ LYS 50 3HZ LYS 50 6.202 -4.928 -4.928 420 H GLU 51 H GLU 51 12.551 -4.634 -4.634 421 HA GLU 51 HA GLU 51 13.543 -6.885 -6.885 422 1HB GLU 51 1HB GLU 51 14.848 -4.150 -4.150 423 2HB GLU 51 2HB GLU 51 15.401 -5.312 -5.312 424 1HG GLU 51 1HG GLU 51 12.646 -3.929 -3.929 425 2HG GLU 51 2HG GLU 51 14.059 -3.468 -3.468 426 H LYS 52 H LYS 52 14.236 -6.298 -6.298 427 HA LYS 52 HA LYS 52 16.744 -8.043 -8.043 428 1HB LYS 52 1HB LYS 52 15.457 -6.652 -6.652 429 2HB LYS 52 2HB LYS 52 16.775 -7.792 -7.792 430 1HG LYS 52 1HG LYS 52 16.880 -5.079 -5.079 431 2HG LYS 52 2HG LYS 52 17.515 -5.414 -5.414 432 1HD LYS 52 1HD LYS 52 18.563 -6.622 -6.622 433 2HD LYS 52 2HD LYS 52 19.271 -5.279 -5.279 434 1HE LYS 52 1HE LYS 52 19.732 -6.803 -6.803 435 2HE LYS 52 2HE LYS 52 19.058 -8.170 -8.170 436 1HZ LYS 52 2HZ LYS 52 21.417 -6.562 -6.562 437 2HZ LYS 52 3HZ LYS 52 21.459 -8.082 -8.082 438 3HZ LYS 52 1HZ LYS 52 20.784 -7.837 -7.837 439 H LEU 53 H LEU 53 13.590 -8.036 -8.036 440 HA LEU 53 HA LEU 53 13.869 -10.923 -10.923 441 1HB LEU 53 1HB LEU 53 12.012 -8.747 -8.747 442 2HB LEU 53 2HB LEU 53 12.016 -10.380 -10.380 443 HG LEU 53 HG LEU 53 14.406 -8.462 -8.462 444 1HD1 LEU 53 2HD1 LEU 53 12.468 -7.725 -7.725 445 2HD1 LEU 53 3HD1 LEU 53 12.377 -9.326 -9.326 446 3HD1 LEU 53 1HD1 LEU 53 13.803 -8.284 -8.284 447 1HD2 LEU 53 3HD2 LEU 53 14.032 -11.265 -11.265 448 2HD2 LEU 53 1HD2 LEU 53 15.214 -10.823 -10.823 449 3HD2 LEU 53 2HD2 LEU 53 15.361 -10.135 -10.135 450 H LYS 54 H LYS 54 10.922 -9.009 -9.009 451 HA LYS 54 HA LYS 54 9.614 -11.562 -11.562 452 1HB LYS 54 1HB LYS 54 8.499 -8.707 -8.707 453 2HB LYS 54 2HB LYS 54 7.595 -10.019 -10.019 454 1HG LYS 54 1HG LYS 54 6.842 -9.884 -9.884 455 2HG LYS 54 2HG LYS 54 7.739 -11.376 -11.376 456 1HD LYS 54 1HD LYS 54 8.148 -10.316 -10.316 457 2HD LYS 54 2HD LYS 54 9.635 -10.439 -10.439 458 1HE LYS 54 1HE LYS 54 9.625 -8.295 -8.295 459 2HE LYS 54 2HE LYS 54 9.500 -7.965 -7.965 460 1HZ LYS 54 1HZ LYS 54 7.223 -7.950 -7.950 461 2HZ LYS 54 2HZ LYS 54 7.955 -6.620 -6.620 462 3HZ LYS 54 3HZ LYS 54 7.086 -7.639 -7.639 463 H ILE 55 H ILE 55 10.311 -12.187 -12.187 464 HA ILE 55 HA ILE 55 10.956 -12.255 -12.255 465 HB ILE 55 HB ILE 55 8.989 -9.971 -9.971 466 1HG1 ILE 55 1HG1 ILE 55 7.626 -12.081 -12.081 467 2HG1 ILE 55 2HG1 ILE 55 8.619 -13.029 -13.029 468 1HG2 ILE 55 2HG2 ILE 55 10.561 -10.229 -10.229 469 2HG2 ILE 55 3HG2 ILE 55 10.235 -11.976 -11.976 470 3HG2 ILE 55 1HG2 ILE 55 8.951 -10.798 -10.798 471 1HD1 ILE 55 1HD1 ILE 55 6.799 -10.668 -10.668 472 2HD1 ILE 55 2HD1 ILE 55 6.335 -12.385 -12.385 473 3HD1 ILE 55 3HD1 ILE 55 7.623 -11.804 -11.804 474 H ASP 56 H ASP 56 13.058 -11.849 -11.849 475 HA ASP 56 HA ASP 56 14.194 -9.242 -9.242 476 1HB ASP 56 1HB ASP 56 16.400 -10.179 -10.179 477 2HB ASP 56 2HB ASP 56 15.295 -11.119 -11.119 478 H SER 57 H SER 57 14.692 -11.164 -11.164 479 HA SER 57 HA SER 57 14.944 -10.514 -10.514 480 1HB SER 57 1HB SER 57 13.557 -7.878 -7.878 481 2HB SER 57 2HB SER 57 13.875 -8.464 -8.464 482 HG SER 57 HG SER 57 12.371 -9.808 -9.808 Start of MODEL 3 1 1H THR 1 1H THR 1 -15.616 -6.265 -6.265 2 2H THR 1 2H THR 1 -17.016 -5.539 -5.539 3 3H THR 1 3H THR 1 -17.058 -6.708 -6.708 4 HA THR 1 HA THR 1 -16.340 -8.402 -8.402 5 HB THR 1 HB THR 1 -18.657 -8.248 -8.248 6 HG1 THR 1 HG1 THR 1 -18.092 -8.471 -8.471 7 1HG2 THR 1 2HG2 THR 1 -18.901 -6.184 -6.184 8 2HG2 THR 1 3HG2 THR 1 -20.245 -7.009 -7.009 9 3HG2 THR 1 1HG2 THR 1 -19.193 -5.884 -5.884 10 HA PRO 2 HA PRO 2 -14.293 -6.103 -6.103 11 1HB PRO 2 1HB PRO 2 -11.644 -6.840 -6.840 12 2HB PRO 2 2HB PRO 2 -12.367 -5.565 -5.565 13 1HG PRO 2 1HG PRO 2 -11.897 -8.442 -8.442 14 2HG PRO 2 2HG PRO 2 -11.682 -6.969 -6.969 15 1HD PRO 2 1HD PRO 2 -13.917 -8.668 -8.668 16 2HD PRO 2 2HD PRO 2 -14.017 -6.945 -6.945 17 H ASP 3 H ASP 3 -15.647 -7.539 -7.539 18 HA ASP 3 HA ASP 3 -14.401 -10.116 -10.116 19 1HB ASP 3 1HB ASP 3 -17.189 -9.766 -9.766 20 2HB ASP 3 2HB ASP 3 -16.746 -11.174 -11.174 21 H VAL 4 H VAL 4 -14.687 -10.380 -10.380 22 HA VAL 4 HA VAL 4 -16.641 -8.601 -8.601 23 HB VAL 4 HB VAL 4 -14.196 -8.279 -8.279 24 1HG1 VAL 4 3HG1 VAL 4 -13.347 -10.643 -10.643 25 2HG1 VAL 4 1HG1 VAL 4 -14.172 -10.932 -10.932 26 3HG1 VAL 4 2HG1 VAL 4 -12.862 -9.735 -9.735 27 1HG2 VAL 4 2HG2 VAL 4 -15.907 -7.459 -7.459 28 2HG2 VAL 4 3HG2 VAL 4 -14.346 -7.825 -7.825 29 3HG2 VAL 4 1HG2 VAL 4 -15.713 -8.937 -8.937 30 H SER 5 H SER 5 -16.250 -10.459 -10.459 31 HA SER 5 HA SER 5 -17.914 -11.596 -11.596 32 1HB SER 5 1HB SER 5 -18.194 -13.440 -13.440 33 2HB SER 5 2HB SER 5 -18.873 -13.740 -13.740 34 HG SER 5 HG SER 5 -16.128 -13.358 -13.358 35 H SER 6 H SER 6 -18.665 -9.267 -9.267 36 HA SER 6 HA SER 6 -21.633 -9.202 -9.202 37 1HB SER 6 1HB SER 6 -19.942 -8.985 -8.985 38 2HB SER 6 2HB SER 6 -21.546 -8.276 -8.276 39 HG SER 6 HG SER 6 -22.340 -10.334 -10.334 40 H ALA 7 H ALA 7 -18.941 -7.275 -7.275 41 HA ALA 7 HA ALA 7 -18.066 -5.199 -5.199 42 1HB ALA 7 2HB ALA 7 -18.130 -5.610 -5.610 43 2HB ALA 7 3HB ALA 7 -19.763 -4.896 -4.896 44 3HB ALA 7 1HB ALA 7 -18.378 -3.901 -3.901 45 H LEU 8 H LEU 8 -21.448 -5.565 -5.565 46 HA LEU 8 HA LEU 8 -21.701 -3.066 -3.066 47 1HB LEU 8 1HB LEU 8 -22.555 -2.876 -2.876 48 2HB LEU 8 2HB LEU 8 -24.027 -3.358 -3.358 49 HG LEU 8 HG LEU 8 -23.917 -0.970 -0.970 50 1HD1 LEU 8 3HD1 LEU 8 -25.063 -1.744 -1.744 51 2HD1 LEU 8 1HD1 LEU 8 -23.562 -1.437 -1.437 52 3HD1 LEU 8 2HD1 LEU 8 -24.417 -0.093 -0.093 53 1HD2 LEU 8 3HD2 LEU 8 -21.436 -0.657 -0.657 54 2HD2 LEU 8 1HD2 LEU 8 -22.216 0.532 0.532 55 3HD2 LEU 8 2HD2 LEU 8 -21.333 -0.842 -0.842 56 H ASP 9 H ASP 9 -22.976 -6.218 -6.218 57 HA ASP 9 HA ASP 9 -25.127 -6.259 -6.259 58 1HB ASP 9 1HB ASP 9 -24.905 -7.856 -7.856 59 2HB ASP 9 2HB ASP 9 -23.709 -8.735 -8.735 60 H LYS 10 H LYS 10 -21.784 -7.589 -7.589 61 HA LYS 10 HA LYS 10 -21.662 -7.914 -7.914 62 1HB LYS 10 1HB LYS 10 -19.453 -7.860 -7.860 63 2HB LYS 10 2HB LYS 10 -19.107 -8.031 -8.031 64 1HG LYS 10 1HG LYS 10 -20.844 -10.026 -10.026 65 2HG LYS 10 2HG LYS 10 -19.109 -10.166 -10.166 66 1HD LYS 10 1HD LYS 10 -19.473 -10.185 -10.185 67 2HD LYS 10 2HD LYS 10 -21.218 -10.164 -10.164 68 1HE LYS 10 1HE LYS 10 -21.040 -12.351 -12.351 69 2HE LYS 10 2HE LYS 10 -19.289 -12.365 -12.365 70 1HZ LYS 10 2HZ LYS 10 -19.710 -12.441 -12.441 71 2HZ LYS 10 3HZ LYS 10 -21.344 -12.429 -12.429 72 3HZ LYS 10 1HZ LYS 10 -20.440 -13.711 -13.711 73 H LEU 11 H LEU 11 -20.272 -5.451 -5.451 74 HA LEU 11 HA LEU 11 -19.692 -3.651 -3.651 75 1HB LEU 11 1HB LEU 11 -18.696 -3.687 -3.687 76 2HB LEU 11 2HB LEU 11 -18.625 -2.219 -2.219 77 HG LEU 11 HG LEU 11 -17.363 -3.402 -3.402 78 1HD1 LEU 11 1HD2 LEU 11 -17.087 -5.671 -5.671 79 2HD1 LEU 11 2HD2 LEU 11 -16.083 -5.498 -5.498 80 3HD1 LEU 11 3HD2 LEU 11 -17.817 -5.792 -5.792 81 1HD2 LEU 11 1HD1 LEU 11 -16.258 -1.895 -1.895 82 2HD2 LEU 11 2HD1 LEU 11 -15.184 -3.233 -3.233 83 3HD2 LEU 11 3HD1 LEU 11 -16.017 -3.243 -3.243 84 H LYS 12 H LYS 12 -22.219 -3.750 -3.750 85 HA LYS 12 HA LYS 12 -22.999 -0.938 -0.938 86 1HB LYS 12 1HB LYS 12 -25.301 -1.413 -1.413 87 2HB LYS 12 2HB LYS 12 -24.842 -2.011 -2.011 88 1HG LYS 12 1HG LYS 12 -26.160 -3.691 -3.691 89 2HG LYS 12 2HG LYS 12 -24.538 -4.313 -4.313 90 1HD LYS 12 1HD LYS 12 -25.508 -5.099 -5.099 91 2HD LYS 12 2HD LYS 12 -24.153 -4.059 -4.059 92 1HE LYS 12 1HE LYS 12 -25.765 -2.161 -2.161 93 2HE LYS 12 2HE LYS 12 -27.132 -3.179 -3.179 94 1HZ LYS 12 2HZ LYS 12 -26.528 -4.720 -4.720 95 2HZ LYS 12 3HZ LYS 12 -25.252 -3.769 -3.769 96 3HZ LYS 12 1HZ LYS 12 -26.795 -3.202 -3.202 97 H GLU 13 H GLU 13 -22.647 -2.821 -2.821 98 HA GLU 13 HA GLU 13 -22.612 -0.252 -0.252 99 1HB GLU 13 1HB GLU 13 -22.546 -1.407 -1.407 100 2HB GLU 13 2HB GLU 13 -23.806 -2.118 -2.118 101 1HG GLU 13 1HG GLU 13 -21.041 -3.386 -3.386 102 2HG GLU 13 2HG GLU 13 -22.526 -3.734 -3.734 103 H PHE 14 H PHE 14 -20.272 -2.884 -2.884 104 HA PHE 14 HA PHE 14 -17.971 -1.302 -1.302 105 1HB PHE 14 1HB PHE 14 -18.047 -3.843 -3.843 106 2HB PHE 14 2HB PHE 14 -17.861 -3.791 -3.791 107 HD1 PHE 14 HD1 PHE 14 -16.248 -2.749 -2.749 108 HD2 PHE 14 HD2 PHE 14 -15.578 -3.533 -3.533 109 HE1 PHE 14 HE1 PHE 14 -13.820 -2.530 -2.530 110 HE2 PHE 14 HE2 PHE 14 -13.164 -3.294 -3.294 111 HZ PHE 14 HZ PHE 14 -12.274 -2.792 -2.792 112 H GLY 15 H GLY 15 -19.587 -1.383 -1.383 113 1HA GLY 15 1HA GLY 15 -17.573 0.055 0.055 114 2HA GLY 15 2HA GLY 15 -19.294 0.107 0.107 115 H ASN 16 H ASN 16 -20.357 1.286 1.286 116 HA ASN 16 HA ASN 16 -19.646 4.122 4.122 117 1HB ASN 16 1HB ASN 16 -21.905 3.112 3.112 118 2HB ASN 16 2HB ASN 16 -21.238 2.575 2.575 119 1HD2 ASN 16 1HD2 ASN 16 -21.853 5.817 5.817 120 2HD2 ASN 16 2HD2 ASN 16 -21.394 4.054 4.054 121 H THR 17 H THR 17 -18.481 1.524 1.524 122 HA THR 17 HA THR 17 -17.055 3.261 3.261 123 HB THR 17 HB THR 17 -16.461 0.339 0.339 124 HG1 THR 17 HG1 THR 17 -17.715 -0.066 -0.066 125 1HG2 THR 17 1HG2 THR 17 -15.715 1.896 1.896 126 2HG2 THR 17 2HG2 THR 17 -15.508 0.141 0.141 127 3HG2 THR 17 3HG2 THR 17 -14.576 1.297 1.297 128 H LEU 18 H LEU 18 -15.778 1.467 1.467 129 HA LEU 18 HA LEU 18 -13.291 3.061 3.061 130 1HB LEU 18 1HB LEU 18 -12.384 1.858 1.858 131 2HB LEU 18 2HB LEU 18 -13.070 0.789 0.789 132 HG LEU 18 HG LEU 18 -15.078 0.385 0.385 133 1HD1 LEU 18 1HD2 LEU 18 -13.438 2.001 2.001 134 2HD1 LEU 18 2HD2 LEU 18 -14.811 0.937 0.937 135 3HD1 LEU 18 3HD2 LEU 18 -15.077 2.377 2.377 136 1HD2 LEU 18 2HD1 LEU 18 -13.139 -1.187 -1.187 137 2HD2 LEU 18 3HD1 LEU 18 -13.797 -1.135 -1.135 138 3HD2 LEU 18 1HD1 LEU 18 -12.284 -0.276 -0.276 139 H GLU 19 H GLU 19 -16.033 4.087 4.087 140 HA GLU 19 HA GLU 19 -15.088 6.074 6.074 141 1HB GLU 19 1HB GLU 19 -17.789 5.722 5.722 142 2HB GLU 19 2HB GLU 19 -17.417 7.177 7.177 143 1HG GLU 19 1HG GLU 19 -17.027 5.943 5.943 144 2HG GLU 19 2HG GLU 19 -17.194 4.392 4.392 145 H ASP 20 H ASP 20 -16.193 6.172 6.172 146 HA ASP 20 HA ASP 20 -15.147 8.865 8.865 147 1HB ASP 20 1HB ASP 20 -16.925 7.630 7.630 148 2HB ASP 20 2HB ASP 20 -15.675 6.596 6.596 149 H LYS 21 H LYS 21 -13.596 5.648 5.648 150 HA LYS 21 HA LYS 21 -11.094 6.556 6.556 151 1HB LYS 21 1HB LYS 21 -11.599 4.131 4.131 152 2HB LYS 21 2HB LYS 21 -10.085 4.420 4.420 153 1HG LYS 21 1HG LYS 21 -11.041 4.178 4.178 154 2HG LYS 21 2HG LYS 21 -12.682 4.199 4.199 155 1HD LYS 21 1HD LYS 21 -12.169 1.939 1.939 156 2HD LYS 21 2HD LYS 21 -12.359 2.031 2.031 157 1HE LYS 21 1HE LYS 21 -9.818 2.008 2.008 158 2HE LYS 21 2HE LYS 21 -9.642 1.929 1.929 159 1HZ LYS 21 2HZ LYS 21 -10.861 -0.189 -0.189 160 2HZ LYS 21 3HZ LYS 21 -11.025 -0.109 -0.109 161 3HZ LYS 21 1HZ LYS 21 -9.525 -0.265 -0.265 162 H ALA 22 H ALA 22 -11.835 6.054 6.054 163 HA ALA 22 HA ALA 22 -9.317 7.194 7.194 164 1HB ALA 22 2HB ALA 22 -10.759 5.740 5.740 165 2HB ALA 22 3HB ALA 22 -12.045 6.978 6.978 166 3HB ALA 22 1HB ALA 22 -10.477 7.301 7.301 167 H ARG 23 H ARG 23 -12.421 8.799 8.799 168 HA ARG 23 HA ARG 23 -11.735 11.486 11.486 169 1HB ARG 23 1HB ARG 23 -14.047 10.658 10.658 170 2HB ARG 23 2HB ARG 23 -13.600 10.711 10.711 171 1HG ARG 23 1HG ARG 23 -13.172 13.211 13.211 172 2HG ARG 23 2HG ARG 23 -13.617 13.111 13.111 173 1HD ARG 23 1HD ARG 23 -15.938 12.274 12.274 174 2HD ARG 23 2HD ARG 23 -15.469 12.416 12.416 175 HE ARG 23 HE ARG 23 -15.049 14.995 14.995 176 1HH1 ARG 23 1HH1 ARG 23 -17.660 12.970 12.970 177 2HH1 ARG 23 2HH1 ARG 23 -18.718 14.455 14.455 178 1HH2 ARG 23 1HH2 ARG 23 -16.330 16.611 16.611 179 2HH2 ARG 23 2HH2 ARG 23 -18.013 16.376 16.376 180 H GLU 24 H GLU 24 -11.280 10.002 10.002 181 HA GLU 24 HA GLU 24 -9.792 12.262 12.262 182 1HB GLU 24 1HB GLU 24 -9.834 9.291 9.291 183 2HB GLU 24 2HB GLU 24 -8.978 10.515 10.515 184 1HG GLU 24 1HG GLU 24 -12.029 10.514 10.514 185 2HG GLU 24 2HG GLU 24 -11.203 9.911 9.911 186 H LEU 25 H LEU 25 -8.596 9.324 9.324 187 HA LEU 25 HA LEU 25 -5.746 9.991 9.991 188 1HB LEU 25 2HB LEU 25 -7.144 7.788 7.788 189 2HB LEU 25 1HB LEU 25 -5.487 8.149 8.149 190 HG LEU 25 HG LEU 25 -4.743 7.792 7.792 191 1HD1 LEU 25 2HD1 LEU 25 -6.848 8.218 8.218 192 2HD1 LEU 25 3HD1 LEU 25 -7.591 6.756 6.756 193 3HD1 LEU 25 1HD1 LEU 25 -6.172 6.625 6.625 194 1HD2 LEU 25 3HD2 LEU 25 -4.613 5.962 5.962 195 2HD2 LEU 25 1HD2 LEU 25 -4.900 5.299 5.299 196 3HD2 LEU 25 2HD2 LEU 25 -6.241 5.397 5.397 197 H ILE 26 H ILE 26 -7.849 10.623 10.623 198 HA ILE 26 HA ILE 26 -5.637 11.750 11.750 199 HB ILE 26 HB ILE 26 -8.654 11.879 11.879 200 1HG1 ILE 26 1HG1 ILE 26 -6.488 10.388 10.388 201 2HG1 ILE 26 2HG1 ILE 26 -7.342 9.632 9.632 202 1HG2 ILE 26 3HG2 ILE 26 -7.704 13.933 13.933 203 2HG2 ILE 26 1HG2 ILE 26 -6.494 12.960 12.960 204 3HG2 ILE 26 2HG2 ILE 26 -8.228 12.798 12.798 205 1HD1 ILE 26 1HD1 ILE 26 -9.549 9.985 9.985 206 2HD1 ILE 26 2HD1 ILE 26 -8.678 10.638 10.638 207 3HD1 ILE 26 3HD1 ILE 26 -8.409 8.954 8.954 208 H SER 27 H SER 27 -8.243 13.274 13.274 209 HA SER 27 HA SER 27 -7.257 16.027 16.027 210 1HB SER 27 1HB SER 27 -9.542 15.323 15.323 211 2HB SER 27 2HB SER 27 -8.810 14.681 14.681 212 HG SER 27 HG SER 27 -9.577 16.797 16.797 213 H ARG 28 H ARG 28 -5.881 13.394 13.394 214 HA ARG 28 HA ARG 28 -4.249 15.108 15.108 215 1HB ARG 28 1HB ARG 28 -4.588 12.070 12.070 216 2HB ARG 28 2HB ARG 28 -3.239 12.757 12.757 217 1HG ARG 28 1HG ARG 28 -4.546 13.773 13.773 218 2HG ARG 28 2HG ARG 28 -6.068 13.570 13.570 219 1HD ARG 28 1HD ARG 28 -5.705 11.007 11.007 220 2HD ARG 28 2HD ARG 28 -4.308 11.298 11.298 221 HE ARG 28 HE ARG 28 -6.397 12.728 12.728 222 1HH1 ARG 28 1HH1 ARG 28 -6.044 9.346 9.346 223 2HH1 ARG 28 2HH1 ARG 28 -7.197 8.804 8.804 224 1HH2 ARG 28 1HH2 ARG 28 -7.693 11.998 11.998 225 2HH2 ARG 28 2HH2 ARG 28 -8.066 10.206 10.206 226 H ILE 29 H ILE 29 -3.879 12.953 12.953 227 HA ILE 29 HA ILE 29 -0.965 13.406 13.406 228 HB ILE 29 HB ILE 29 -3.108 12.030 12.030 229 1HG1 ILE 29 1HG1 ILE 29 -2.045 10.863 10.863 230 2HG1 ILE 29 2HG1 ILE 29 -1.935 10.017 10.017 231 1HG2 ILE 29 3HG2 ILE 29 -0.329 12.534 12.534 232 2HG2 ILE 29 1HG2 ILE 29 -1.413 11.218 11.218 233 3HG2 ILE 29 2HG2 ILE 29 -1.915 12.890 12.890 234 1HD1 ILE 29 2HD1 ILE 29 0.409 11.601 11.601 235 2HD1 ILE 29 3HD1 ILE 29 0.190 9.835 9.835 236 3HD1 ILE 29 1HD1 ILE 29 0.488 10.656 10.656 237 H LYS 30 H LYS 30 -3.281 14.279 14.279 238 HA LYS 30 HA LYS 30 -3.181 15.945 15.945 239 1HB LYS 30 1HB LYS 30 -2.776 17.832 17.832 240 2HB LYS 30 2HB LYS 30 -3.111 18.365 18.365 241 1HG LYS 30 1HG LYS 30 -5.016 16.672 16.672 242 2HG LYS 30 2HG LYS 30 -5.117 18.401 18.401 243 1HD LYS 30 1HD LYS 30 -5.461 18.024 18.024 244 2HD LYS 30 2HD LYS 30 -5.402 16.277 16.277 245 1HE LYS 30 1HE LYS 30 -7.430 16.375 16.375 246 2HE LYS 30 2HE LYS 30 -7.498 18.137 18.137 247 1HZ LYS 30 3HZ LYS 30 -7.760 16.183 16.183 248 2HZ LYS 30 1HZ LYS 30 -8.994 17.034 17.034 249 3HZ LYS 30 2HZ LYS 30 -7.825 17.825 17.825 250 H GLN 31 H GLN 31 -1.135 14.613 14.613 251 HA GLN 31 HA GLN 31 1.004 14.337 14.337 252 1HB GLN 31 1HB GLN 31 0.332 16.155 16.155 253 2HB GLN 31 2HB GLN 31 1.234 17.284 17.284 254 1HG GLN 31 1HG GLN 31 3.252 15.628 15.628 255 2HG GLN 31 2HG GLN 31 2.300 14.768 14.768 256 1HE2 GLN 31 2HE2 GLN 31 4.111 18.261 18.261 257 2HE2 GLN 31 1HE2 GLN 31 4.192 17.628 17.628 258 H SER 32 H SER 32 1.288 13.834 13.834 259 HA SER 32 HA SER 32 2.869 13.591 13.591 260 1HB SER 32 1HB SER 32 4.573 14.014 14.014 261 2HB SER 32 2HB SER 32 4.560 15.752 15.752 262 HG SER 32 HG SER 32 5.120 15.233 15.233 263 H GLU 33 H GLU 33 3.514 14.379 14.379 264 HA GLU 33 HA GLU 33 3.709 16.086 16.086 265 1HB GLU 33 1HB GLU 33 2.367 17.826 17.826 266 2HB GLU 33 2HB GLU 33 2.505 17.963 17.963 267 1HG GLU 33 1HG GLU 33 0.258 18.377 18.377 268 2HG GLU 33 2HG GLU 33 0.098 16.635 16.635 269 H LEU 34 H LEU 34 1.169 14.021 14.021 270 HA LEU 34 HA LEU 34 1.110 12.935 12.935 271 1HB LEU 34 1HB LEU 34 -1.042 12.930 12.930 272 2HB LEU 34 2HB LEU 34 -0.456 12.012 12.012 273 HG LEU 34 HG LEU 34 -1.923 10.841 10.841 274 1HD1 LEU 34 3HD1 LEU 34 -0.670 9.514 9.514 275 2HD1 LEU 34 1HD1 LEU 34 0.724 9.384 9.384 276 3HD1 LEU 34 2HD1 LEU 34 -0.832 8.644 8.644 277 1HD2 LEU 34 3HD2 LEU 34 -0.896 11.689 11.689 278 2HD2 LEU 34 1HD2 LEU 34 -1.018 9.915 9.915 279 3HD2 LEU 34 2HD2 LEU 34 0.552 10.700 10.700 280 H SER 35 H SER 35 2.358 12.428 12.428 281 HA SER 35 HA SER 35 4.029 10.014 10.014 282 1HB SER 35 1HB SER 35 3.660 11.342 11.342 283 2HB SER 35 2HB SER 35 4.825 10.063 10.063 284 HG SER 35 HG SER 35 2.028 9.898 9.898 285 H ALA 36 H ALA 36 5.608 12.141 12.141 286 HA ALA 36 HA ALA 36 7.622 13.471 13.471 287 1HB ALA 36 2HB ALA 36 6.323 14.998 14.998 288 2HB ALA 36 3HB ALA 36 6.837 14.113 14.113 289 3HB ALA 36 1HB ALA 36 8.045 14.933 14.933 290 H LYS 37 H LYS 37 7.456 11.755 11.755 291 HA LYS 37 HA LYS 37 10.224 10.593 10.593 292 1HB LYS 37 1HB LYS 37 8.088 10.030 10.030 293 2HB LYS 37 2HB LYS 37 9.614 9.164 9.164 294 1HG LYS 37 1HG LYS 37 10.902 11.314 11.314 295 2HG LYS 37 2HG LYS 37 9.384 12.201 12.201 296 1HD LYS 37 1HD LYS 37 8.805 10.794 10.794 297 2HD LYS 37 2HD LYS 37 10.313 9.914 9.914 298 1HE LYS 37 1HE LYS 37 10.711 11.520 11.520 299 2HE LYS 37 2HE LYS 37 11.624 12.080 12.080 300 1HZ LYS 37 2HZ LYS 37 8.967 13.134 13.134 301 2HZ LYS 37 3HZ LYS 37 10.423 13.887 13.887 302 3HZ LYS 37 1HZ LYS 37 9.809 13.674 13.674 303 H MET 38 H MET 38 6.813 9.473 9.473 304 HA MET 38 HA MET 38 7.609 6.776 6.776 305 1HB MET 38 1HB MET 38 4.969 8.228 8.228 306 2HB MET 38 2HB MET 38 5.286 6.541 6.541 307 1HG MET 38 1HG MET 38 5.081 7.943 7.943 308 2HG MET 38 2HG MET 38 3.931 6.839 6.839 309 1HE MET 38 1HE MET 38 4.350 4.166 4.166 310 2HE MET 38 3HE MET 38 5.866 4.357 4.357 311 3HE MET 38 2HE MET 38 5.843 3.325 3.325 312 H ARG 39 H ARG 39 8.166 9.739 9.739 313 HA ARG 39 HA ARG 39 8.393 8.187 8.187 314 1HB ARG 39 1HB ARG 39 7.741 11.177 11.177 315 2HB ARG 39 2HB ARG 39 8.191 10.424 10.424 316 1HG ARG 39 1HG ARG 39 6.196 8.932 8.932 317 2HG ARG 39 2HG ARG 39 5.739 9.555 9.555 318 1HD ARG 39 1HD ARG 39 5.592 11.916 11.916 319 2HD ARG 39 2HD ARG 39 5.874 11.169 11.169 320 HE ARG 39 HE ARG 39 3.598 9.887 9.887 321 1HH1 ARG 39 1HH1 ARG 39 4.423 12.732 12.732 322 2HH1 ARG 39 2HH1 ARG 39 2.657 12.956 12.956 323 1HH2 ARG 39 1HH2 ARG 39 1.618 10.237 10.237 324 2HH2 ARG 39 2HH2 ARG 39 1.179 11.637 11.637 325 H GLU 40 H GLU 40 9.866 11.148 11.148 326 HA GLU 40 HA GLU 40 12.303 10.856 10.856 327 1HB GLU 40 1HB GLU 40 11.296 13.023 13.023 328 2HB GLU 40 2HB GLU 40 12.060 12.579 12.579 329 1HG GLU 40 1HG GLU 40 14.300 12.410 12.410 330 2HG GLU 40 2HG GLU 40 13.427 13.101 13.101 331 H TRP 41 H TRP 41 11.974 10.446 10.446 332 HA TRP 41 HA TRP 41 14.491 8.945 8.945 333 1HB TRP 41 1HB TRP 41 13.414 10.186 10.186 334 2HB TRP 41 2HB TRP 41 11.980 9.194 9.194 335 HD1 TRP 41 HD1 TRP 41 15.450 9.276 9.276 336 HE1 TRP 41 HE1 TRP 41 15.708 7.313 7.313 337 HE3 TRP 41 HE3 TRP 41 11.359 6.641 6.641 338 HZ2 TRP 41 HZ2 TRP 41 14.109 5.005 5.005 339 HZ3 TRP 41 HZ3 TRP 41 10.666 4.655 4.655 340 HH2 TRP 41 HH2 TRP 41 12.045 3.821 3.821 341 H PHE 42 H PHE 42 11.231 7.841 7.841 342 HA PHE 42 HA PHE 42 11.655 4.953 4.953 343 1HB PHE 42 1HB PHE 42 9.414 6.150 6.150 344 2HB PHE 42 2HB PHE 42 9.872 6.246 6.246 345 HD1 PHE 42 HD2 PHE 42 10.021 4.079 4.079 346 HD2 PHE 42 HD1 PHE 42 8.626 4.071 4.071 347 HE1 PHE 42 HE2 PHE 42 9.018 1.856 1.856 348 HE2 PHE 42 HE1 PHE 42 7.582 1.872 1.872 349 HZ PHE 42 HZ PHE 42 7.801 0.750 0.750 350 H SER 43 H SER 43 12.607 7.125 7.125 351 HA SER 43 HA SER 43 13.806 4.910 4.910 352 1HB SER 43 1HB SER 43 14.295 6.595 6.595 353 2HB SER 43 2HB SER 43 12.580 6.528 6.528 354 HG SER 43 HG SER 43 14.457 8.412 8.412 355 H GLU 44 H GLU 44 15.063 4.444 4.444 356 HA GLU 44 HA GLU 44 17.831 5.074 5.074 357 1HB GLU 44 1HB GLU 44 17.330 7.410 7.410 358 2HB GLU 44 2HB GLU 44 16.361 6.822 6.822 359 1HG GLU 44 1HG GLU 44 18.499 7.572 7.572 360 2HG GLU 44 2HG GLU 44 18.402 5.841 5.841 361 H THR 45 H THR 45 15.348 4.856 4.856 362 HA THR 45 HA THR 45 16.310 2.049 2.049 363 HB THR 45 HB THR 45 14.183 3.809 3.809 364 HG1 THR 45 HG1 THR 45 16.911 3.673 3.673 365 1HG2 THR 45 2HG2 THR 45 14.299 1.345 1.345 366 2HG2 THR 45 3HG2 THR 45 15.917 1.694 1.694 367 3HG2 THR 45 1HG2 THR 45 14.503 2.546 2.546 368 H PHE 46 H PHE 46 15.437 1.901 1.901 369 HA PHE 46 HA PHE 46 12.584 1.604 1.604 370 1HB PHE 46 1HB PHE 46 14.287 2.423 2.423 371 2HB PHE 46 2HB PHE 46 14.955 0.836 0.836 372 HD1 PHE 46 HD2 PHE 46 12.119 3.070 3.070 373 HD2 PHE 46 HD1 PHE 46 13.640 -0.934 -0.934 374 HE1 PHE 46 HE2 PHE 46 10.577 2.670 2.670 375 HE2 PHE 46 HE1 PHE 46 12.100 -1.312 -1.312 376 HZ PHE 46 HZ PHE 46 10.565 0.484 0.484 377 H GLN 47 H GLN 47 15.024 -1.077 -1.077 378 HA GLN 47 HA GLN 47 12.873 -3.110 -3.110 379 1HB GLN 47 1HB GLN 47 14.498 -4.786 -4.786 380 2HB GLN 47 2HB GLN 47 14.906 -3.466 -3.466 381 1HG GLN 47 1HG GLN 47 17.030 -3.864 -3.864 382 2HG GLN 47 2HG GLN 47 16.611 -2.766 -2.766 383 1HE2 GLN 47 2HE2 GLN 47 17.204 -6.772 -6.772 384 2HE2 GLN 47 1HE2 GLN 47 17.002 -6.178 -6.178 385 H LYS 48 H LYS 48 14.927 -1.720 -1.720 386 HA LYS 48 HA LYS 48 14.329 -3.627 -3.627 387 1HB LYS 48 1HB LYS 48 15.230 -0.701 -0.701 388 2HB LYS 48 2HB LYS 48 14.985 -1.659 -1.659 389 1HG LYS 48 1HG LYS 48 16.679 -3.312 -3.312 390 2HG LYS 48 2HG LYS 48 16.933 -2.528 -2.528 391 1HD LYS 48 1HD LYS 48 17.413 -1.073 -1.073 392 2HD LYS 48 2HD LYS 48 18.636 -2.080 -2.080 393 1HE LYS 48 1HE LYS 48 18.644 -0.655 -0.655 394 2HE LYS 48 2HE LYS 48 17.345 0.351 0.351 395 1HZ LYS 48 1HZ LYS 48 20.041 0.057 0.057 396 2HZ LYS 48 2HZ LYS 48 19.502 1.361 1.361 397 3HZ LYS 48 3HZ LYS 48 18.823 0.995 0.995 398 H VAL 49 H VAL 49 12.690 -0.527 -0.527 399 HA VAL 49 HA VAL 49 10.454 -0.855 -0.855 400 HB VAL 49 HB VAL 49 10.399 0.687 0.687 401 1HG1 VAL 49 3HG1 VAL 49 8.496 0.899 0.899 402 2HG1 VAL 49 1HG1 VAL 49 8.553 2.077 2.077 403 3HG1 VAL 49 2HG1 VAL 49 8.091 0.405 0.405 404 1HG2 VAL 49 2HG2 VAL 49 12.169 1.578 1.578 405 2HG2 VAL 49 3HG2 VAL 49 10.911 2.740 2.740 406 3HG2 VAL 49 1HG2 VAL 49 10.866 1.879 1.879 407 H LYS 50 H LYS 50 10.748 -1.734 -1.734 408 HA LYS 50 HA LYS 50 8.038 -2.436 -2.436 409 1HB LYS 50 1HB LYS 50 9.571 -1.683 -1.683 410 2HB LYS 50 2HB LYS 50 10.585 -3.118 -3.118 411 1HG LYS 50 1HG LYS 50 8.789 -4.540 -4.540 412 2HG LYS 50 2HG LYS 50 7.683 -3.176 -3.176 413 1HD LYS 50 1HD LYS 50 10.455 -3.268 -3.268 414 2HD LYS 50 2HD LYS 50 9.027 -3.929 -3.929 415 1HE LYS 50 1HE LYS 50 9.373 -0.954 -0.954 416 2HE LYS 50 2HE LYS 50 9.666 -1.625 -1.625 417 1HZ LYS 50 3HZ LYS 50 7.319 -2.258 -2.258 418 2HZ LYS 50 1HZ LYS 50 7.023 -1.641 -1.641 419 3HZ LYS 50 2HZ LYS 50 7.473 -0.635 -0.635 420 H GLU 51 H GLU 51 10.782 -4.632 -4.632 421 HA GLU 51 HA GLU 51 9.137 -7.082 -7.082 422 1HB GLU 51 1HB GLU 51 11.027 -8.179 -8.179 423 2HB GLU 51 2HB GLU 51 11.581 -7.158 -7.158 424 1HG GLU 51 1HG GLU 51 12.316 -5.437 -5.437 425 2HG GLU 51 2HG GLU 51 11.976 -6.727 -6.727 426 H LYS 52 H LYS 52 9.625 -4.368 -4.368 427 HA LYS 52 HA LYS 52 8.950 -5.790 -5.790 428 1HB LYS 52 1HB LYS 52 10.457 -3.828 -3.828 429 2HB LYS 52 2HB LYS 52 9.155 -2.786 -2.786 430 1HG LYS 52 1HG LYS 52 7.917 -3.170 -3.170 431 2HG LYS 52 2HG LYS 52 9.206 -4.253 -4.253 432 1HD LYS 52 1HD LYS 52 10.867 -2.321 -2.321 433 2HD LYS 52 2HD LYS 52 9.577 -1.278 -1.278 434 1HE LYS 52 1HE LYS 52 9.860 -0.761 -0.761 435 2HE LYS 52 2HE LYS 52 8.323 -1.614 -1.614 436 1HZ LYS 52 2HZ LYS 52 10.909 -2.826 -2.826 437 2HZ LYS 52 3HZ LYS 52 9.647 -2.416 -2.416 438 3HZ LYS 52 1HZ LYS 52 9.478 -3.643 -3.643 439 H LEU 53 H LEU 53 7.099 -3.238 -3.238 440 HA LEU 53 HA LEU 53 4.522 -4.447 -4.447 441 1HB LEU 53 1HB LEU 53 3.324 -2.648 -2.648 442 2HB LEU 53 2HB LEU 53 4.826 -1.992 -1.992 443 HG LEU 53 HG LEU 53 3.834 -1.983 -1.983 444 1HD1 LEU 53 3HD2 LEU 53 2.394 -0.558 -0.558 445 2HD1 LEU 53 1HD2 LEU 53 3.819 0.344 0.344 446 3HD1 LEU 53 2HD2 LEU 53 3.307 0.460 0.460 447 1HD2 LEU 53 1HD1 LEU 53 6.264 -0.467 -0.467 448 2HD2 LEU 53 2HD1 LEU 53 6.307 -1.761 -1.761 449 3HD2 LEU 53 3HD1 LEU 53 5.607 -0.195 -0.195 450 H LYS 54 H LYS 54 3.249 -5.778 -5.778 451 HA LYS 54 HA LYS 54 3.203 -7.279 -7.279 452 1HB LYS 54 1HB LYS 54 2.661 -6.526 -6.526 453 2HB LYS 54 2HB LYS 54 1.823 -5.688 -5.688 454 1HG LYS 54 1HG LYS 54 2.256 -4.106 -4.106 455 2HG LYS 54 2HG LYS 54 3.235 -3.649 -3.649 456 1HD LYS 54 1HD LYS 54 5.270 -4.760 -4.760 457 2HD LYS 54 2HD LYS 54 4.195 -5.089 -5.089 458 1HE LYS 54 1HE LYS 54 5.382 -3.096 -3.096 459 2HE LYS 54 2HE LYS 54 3.754 -2.556 -2.556 460 1HZ LYS 54 3HZ LYS 54 6.109 -2.388 -2.388 461 2HZ LYS 54 1HZ LYS 54 5.431 -1.130 -1.130 462 3HZ LYS 54 2HZ LYS 54 4.586 -1.874 -1.874 463 H ILE 55 H ILE 55 4.254 -7.708 -7.708 464 HA ILE 55 HA ILE 55 7.202 -8.284 -8.284 465 HB ILE 55 HB ILE 55 5.306 -10.176 -10.176 466 1HG1 ILE 55 1HG1 ILE 55 6.899 -10.466 -10.466 467 2HG1 ILE 55 2HG1 ILE 55 5.194 -10.071 -10.071 468 1HG2 ILE 55 1HG2 ILE 55 7.577 -10.224 -10.224 469 2HG2 ILE 55 2HG2 ILE 55 8.357 -10.464 -10.464 470 3HG2 ILE 55 3HG2 ILE 55 7.289 -11.713 -11.713 471 1HD1 ILE 55 1HD1 ILE 55 4.698 -12.260 -12.260 472 2HD1 ILE 55 2HD1 ILE 55 6.413 -12.722 -12.722 473 3HD1 ILE 55 3HD1 ILE 55 5.387 -12.421 -12.421 474 H ASP 56 H ASP 56 5.383 -8.615 -8.615 475 HA ASP 56 HA ASP 56 7.516 -7.047 -7.047 476 1HB ASP 56 1HB ASP 56 6.658 -9.248 -9.248 477 2HB ASP 56 2HB ASP 56 5.102 -8.521 -8.521 478 H SER 57 H SER 57 4.008 -6.717 -6.717 479 HA SER 57 HA SER 57 4.148 -3.725 -3.725 480 1HB SER 57 1HB SER 57 4.830 -4.063 -4.063 481 2HB SER 57 2HB SER 57 3.299 -4.884 -4.884 482 HG SER 57 HG SER 57 3.254 -2.675 -2.675 Start of MODEL 4 1 1H THR 1 2H THR 1 -20.046 3.528 3.528 2 2H THR 1 3H THR 1 -21.282 2.545 2.545 3 3H THR 1 1H THR 1 -21.597 3.865 3.865 4 HA THR 1 HA THR 1 -20.322 2.922 2.922 5 HB THR 1 HB THR 1 -21.923 1.117 1.117 6 HG1 THR 1 HG1 THR 1 -23.417 0.359 0.359 7 1HG2 THR 1 2HG2 THR 1 -23.070 3.386 3.386 8 2HG2 THR 1 3HG2 THR 1 -23.655 3.186 3.186 9 3HG2 THR 1 1HG2 THR 1 -24.193 2.084 2.084 10 HA PRO 2 HA PRO 2 -17.406 -0.226 -0.226 11 1HB PRO 2 1HB PRO 2 -15.307 1.152 1.152 12 2HB PRO 2 2HB PRO 2 -15.252 0.912 0.912 13 1HG PRO 2 1HG PRO 2 -15.631 3.382 3.382 14 2HG PRO 2 2HG PRO 2 -16.274 3.020 3.020 15 1HD PRO 2 1HD PRO 2 -17.767 3.078 3.078 16 2HD PRO 2 2HD PRO 2 -18.291 3.601 3.601 17 H ASP 3 H ASP 3 -18.744 -1.552 -1.552 18 HA ASP 3 HA ASP 3 -17.737 -2.968 -2.968 19 1HB ASP 3 1HB ASP 3 -19.325 -2.252 -2.252 20 2HB ASP 3 2HB ASP 3 -18.171 -1.006 -1.006 21 H VAL 4 H VAL 4 -19.015 -4.652 -4.652 22 HA VAL 4 HA VAL 4 -21.592 -5.095 -5.095 23 HB VAL 4 HB VAL 4 -19.674 -6.303 -6.303 24 1HG1 VAL 4 3HG1 VAL 4 -18.360 -7.011 -7.011 25 2HG1 VAL 4 1HG1 VAL 4 -19.613 -8.209 -8.209 26 3HG1 VAL 4 2HG1 VAL 4 -18.698 -8.343 -8.343 27 1HG2 VAL 4 2HG2 VAL 4 -22.025 -7.012 -7.012 28 2HG2 VAL 4 3HG2 VAL 4 -20.880 -8.362 -8.362 29 3HG2 VAL 4 1HG2 VAL 4 -21.905 -8.178 -8.178 30 H SER 5 H SER 5 -21.320 -7.680 -7.680 31 HA SER 5 HA SER 5 -22.893 -8.525 -8.525 32 1HB SER 5 1HB SER 5 -22.598 -5.920 -5.920 33 2HB SER 5 2HB SER 5 -23.452 -7.369 -7.369 34 HG SER 5 HG SER 5 -20.721 -7.230 -7.230 35 H SER 6 H SER 6 -23.900 -7.972 -7.972 36 HA SER 6 HA SER 6 -25.654 -7.387 -7.387 37 1HB SER 6 1HB SER 6 -27.049 -8.670 -8.670 38 2HB SER 6 2HB SER 6 -27.440 -7.188 -7.188 39 HG SER 6 HG SER 6 -28.268 -6.352 -6.352 40 H ALA 7 H ALA 7 -24.035 -5.516 -5.516 41 HA ALA 7 HA ALA 7 -25.687 -2.973 -2.973 42 1HB ALA 7 2HB ALA 7 -24.340 -2.676 -2.676 43 2HB ALA 7 3HB ALA 7 -22.837 -2.990 -2.990 44 3HB ALA 7 1HB ALA 7 -23.811 -1.548 -1.548 45 H LEU 8 H LEU 8 -22.627 -4.564 -4.564 46 HA LEU 8 HA LEU 8 -22.784 -3.326 -3.326 47 1HB LEU 8 1HB LEU 8 -20.888 -5.162 -5.162 48 2HB LEU 8 2HB LEU 8 -21.382 -5.895 -5.895 49 HG LEU 8 HG LEU 8 -19.360 -4.701 -4.701 50 1HD1 LEU 8 2HD1 LEU 8 -20.949 -4.692 -4.692 51 2HD1 LEU 8 3HD1 LEU 8 -21.533 -3.079 -3.079 52 3HD1 LEU 8 1HD1 LEU 8 -19.841 -3.304 -3.304 53 1HD2 LEU 8 3HD2 LEU 8 -19.427 -3.019 -3.019 54 2HD2 LEU 8 1HD2 LEU 8 -19.066 -2.229 -2.229 55 3HD2 LEU 8 2HD2 LEU 8 -20.696 -2.098 -2.098 56 H ASP 9 H ASP 9 -24.473 -5.977 -5.977 57 HA ASP 9 HA ASP 9 -25.673 -7.048 -7.048 58 1HB ASP 9 1HB ASP 9 -25.604 -8.283 -8.283 59 2HB ASP 9 2HB ASP 9 -26.854 -7.192 -7.192 60 H LYS 10 H LYS 10 -26.856 -4.721 -4.721 61 HA LYS 10 HA LYS 10 -29.354 -4.174 -4.174 62 1HB LYS 10 2HB LYS 10 -28.221 -2.669 -2.669 63 2HB LYS 10 1HB LYS 10 -29.845 -2.515 -2.515 64 1HG LYS 10 1HG LYS 10 -28.613 -4.995 -4.995 65 2HG LYS 10 2HG LYS 10 -29.786 -3.912 -3.912 66 1HD LYS 10 1HD LYS 10 -30.294 -5.810 -5.810 67 2HD LYS 10 2HD LYS 10 -30.751 -6.097 -6.097 68 1HE LYS 10 1HE LYS 10 -32.301 -4.079 -4.079 69 2HE LYS 10 2HE LYS 10 -31.869 -3.798 -3.798 70 1HZ LYS 10 3HZ LYS 10 -33.161 -6.270 -6.270 71 2HZ LYS 10 1HZ LYS 10 -33.909 -5.071 -5.071 72 3HZ LYS 10 2HZ LYS 10 -32.754 -6.006 -6.006 73 H LEU 11 H LEU 11 -26.519 -2.055 -2.055 74 HA LEU 11 HA LEU 11 -27.490 0.126 0.126 75 1HB LEU 11 1HB LEU 11 -24.744 -0.256 -0.256 76 2HB LEU 11 2HB LEU 11 -25.170 1.078 1.078 77 HG LEU 11 HG LEU 11 -25.239 1.832 1.832 78 1HD1 LEU 11 1HD2 LEU 11 -26.984 2.807 2.807 79 2HD1 LEU 11 2HD2 LEU 11 -28.185 1.657 1.657 80 3HD1 LEU 11 3HD2 LEU 11 -27.450 2.875 2.875 81 1HD2 LEU 11 2HD1 LEU 11 -25.600 -0.278 -0.278 82 2HD2 LEU 11 3HD1 LEU 11 -26.626 1.046 1.046 83 3HD2 LEU 11 1HD1 LEU 11 -27.334 -0.244 -0.244 84 H LYS 12 H LYS 12 -24.745 -2.192 -2.192 85 HA LYS 12 HA LYS 12 -23.803 -3.238 -3.238 86 1HB LYS 12 1HB LYS 12 -25.063 -4.289 -4.289 87 2HB LYS 12 2HB LYS 12 -25.740 -4.472 -4.472 88 1HG LYS 12 1HG LYS 12 -27.551 -2.831 -2.831 89 2HG LYS 12 2HG LYS 12 -26.879 -2.553 -2.553 90 1HD LYS 12 1HD LYS 12 -27.251 -4.986 -4.986 91 2HD LYS 12 2HD LYS 12 -27.890 -5.273 -5.273 92 1HE LYS 12 1HE LYS 12 -29.766 -3.613 -3.613 93 2HE LYS 12 2HE LYS 12 -29.131 -3.326 -3.326 94 1HZ LYS 12 1HZ LYS 12 -30.094 -5.955 -5.955 95 2HZ LYS 12 2HZ LYS 12 -30.907 -4.964 -4.964 96 3HZ LYS 12 3HZ LYS 12 -29.501 -5.689 -5.689 97 H GLU 13 H GLU 13 -25.601 -0.946 -0.946 98 HA GLU 13 HA GLU 13 -23.139 -0.361 -0.361 99 1HB GLU 13 1HB GLU 13 -24.440 1.186 1.186 100 2HB GLU 13 2HB GLU 13 -25.160 -0.406 -0.406 101 1HG GLU 13 1HG GLU 13 -26.875 0.469 0.469 102 2HG GLU 13 2HG GLU 13 -26.176 2.075 2.075 103 H PHE 14 H PHE 14 -25.109 1.467 1.467 104 HA PHE 14 HA PHE 14 -23.154 3.681 3.681 105 1HB PHE 14 1HB PHE 14 -25.556 3.941 3.941 106 2HB PHE 14 2HB PHE 14 -25.400 2.796 2.796 107 HD1 PHE 14 HD2 PHE 14 -24.371 6.197 6.197 108 HD2 PHE 14 HD1 PHE 14 -24.370 3.510 3.510 109 HE1 PHE 14 HE2 PHE 14 -23.721 8.044 8.044 110 HE2 PHE 14 HE1 PHE 14 -23.730 5.372 5.372 111 HZ PHE 14 HZ PHE 14 -23.402 7.636 7.636 112 H GLY 15 H GLY 15 -23.572 0.603 0.603 113 1HA GLY 15 1HA GLY 15 -21.453 0.894 0.894 114 2HA GLY 15 2HA GLY 15 -21.979 -0.647 -0.647 115 H ASN 16 H ASN 16 -21.237 -0.550 -0.550 116 HA ASN 16 HA ASN 16 -18.340 -1.027 -1.027 117 1HB ASN 16 1HB ASN 16 -20.094 -2.261 -2.261 118 2HB ASN 16 2HB ASN 16 -20.116 -0.877 -0.877 119 1HD2 ASN 16 1HD2 ASN 16 -16.907 -3.480 -3.480 120 2HD2 ASN 16 2HD2 ASN 16 -18.111 -3.516 -3.516 121 H THR 17 H THR 17 -20.173 1.839 1.839 122 HA THR 17 HA THR 17 -18.057 2.887 2.887 123 HB THR 17 HB THR 17 -20.418 4.416 4.416 124 HG1 THR 17 HG1 THR 17 -20.860 2.674 2.674 125 1HG2 THR 17 3HG2 THR 17 -18.555 5.237 5.237 126 2HG2 THR 17 1HG2 THR 17 -20.082 6.040 6.040 127 3HG2 THR 17 2HG2 THR 17 -18.698 6.088 6.088 128 H LEU 18 H LEU 18 -18.961 4.347 4.347 129 HA LEU 18 HA LEU 18 -16.250 5.541 5.541 130 1HB LEU 18 1HB LEU 18 -16.844 6.503 6.503 131 2HB LEU 18 2HB LEU 18 -18.003 6.893 6.893 132 HG LEU 18 HG LEU 18 -18.658 4.495 4.495 133 1HD1 LEU 18 2HD1 LEU 18 -17.815 6.152 6.152 134 2HD1 LEU 18 3HD1 LEU 18 -18.910 7.401 7.401 135 3HD1 LEU 18 1HD1 LEU 18 -19.570 5.951 5.951 136 1HD2 LEU 18 3HD2 LEU 18 -20.268 5.225 5.225 137 2HD2 LEU 18 1HD2 LEU 18 -20.995 5.329 5.329 138 3HD2 LEU 18 2HD2 LEU 18 -20.439 6.805 6.805 139 H GLU 19 H GLU 19 -16.879 2.553 2.553 140 HA GLU 19 HA GLU 19 -14.826 1.854 1.854 141 1HB GLU 19 1HB GLU 19 -16.787 0.433 0.433 142 2HB GLU 19 2HB GLU 19 -16.538 0.141 0.141 143 1HG GLU 19 1HG GLU 19 -14.592 -0.816 -0.816 144 2HG GLU 19 2HG GLU 19 -15.990 -1.737 -1.737 145 H ASP 20 H ASP 20 -15.238 1.328 1.328 146 HA ASP 20 HA ASP 20 -12.373 0.940 0.940 147 1HB ASP 20 1HB ASP 20 -14.332 0.109 0.109 148 2HB ASP 20 2HB ASP 20 -14.606 1.752 1.752 149 H LYS 21 H LYS 21 -14.392 3.874 3.874 150 HA LYS 21 HA LYS 21 -12.416 5.691 5.691 151 1HB LYS 21 1HB LYS 21 -15.090 6.003 6.003 152 2HB LYS 21 2HB LYS 21 -14.372 6.776 6.776 153 1HG LYS 21 1HG LYS 21 -14.738 8.535 8.535 154 2HG LYS 21 2HG LYS 21 -13.024 8.246 8.246 155 1HD LYS 21 1HD LYS 21 -13.576 6.894 6.894 156 2HD LYS 21 2HD LYS 21 -15.297 7.048 7.048 157 1HE LYS 21 1HE LYS 21 -13.403 9.403 9.403 158 2HE LYS 21 2HE LYS 21 -14.446 8.562 8.562 159 1HZ LYS 21 1HZ LYS 21 -16.388 9.297 9.297 160 2HZ LYS 21 2HZ LYS 21 -15.436 10.092 10.092 161 3HZ LYS 21 3HZ LYS 21 -15.480 10.591 10.591 162 H ALA 22 H ALA 22 -13.135 5.015 5.015 163 HA ALA 22 HA ALA 22 -10.928 6.605 6.605 164 1HB ALA 22 2HB ALA 22 -12.870 5.902 5.902 165 2HB ALA 22 3HB ALA 22 -12.390 4.189 4.189 166 3HB ALA 22 1HB ALA 22 -11.349 5.346 5.346 167 H ARG 23 H ARG 23 -11.022 3.152 3.152 168 HA ARG 23 HA ARG 23 -8.282 2.518 2.518 169 1HB ARG 23 1HB ARG 23 -10.128 0.849 0.849 170 2HB ARG 23 2HB ARG 23 -9.888 1.156 1.156 171 1HG ARG 23 1HG ARG 23 -7.668 0.158 0.158 172 2HG ARG 23 2HG ARG 23 -8.800 -0.920 -0.920 173 1HD ARG 23 1HD ARG 23 -7.992 -0.195 -0.195 174 2HD ARG 23 2HD ARG 23 -6.853 0.930 0.930 175 HE ARG 23 HE ARG 23 -6.420 -1.821 -1.821 176 1HH1 ARG 23 1HH1 ARG 23 -5.708 0.310 0.310 177 2HH1 ARG 23 2HH1 ARG 23 -4.212 -0.678 -0.678 178 1HH2 ARG 23 1HH2 ARG 23 -4.699 -2.864 -2.864 179 2HH2 ARG 23 2HH2 ARG 23 -3.682 -2.353 -2.353 180 H GLU 24 H GLU 24 -9.538 3.539 3.539 181 HA GLU 24 HA GLU 24 -6.982 3.873 3.873 182 1HB GLU 24 1HB GLU 24 -9.246 3.854 3.854 183 2HB GLU 24 2HB GLU 24 -9.616 5.421 5.421 184 1HG GLU 24 1HG GLU 24 -9.003 5.666 5.666 185 2HG GLU 24 2HG GLU 24 -7.811 6.494 6.494 186 H LEU 25 H LEU 25 -8.591 6.175 6.175 187 HA LEU 25 HA LEU 25 -6.604 8.348 8.348 188 1HB LEU 25 1HB LEU 25 -8.935 8.055 8.055 189 2HB LEU 25 2HB LEU 25 -7.646 9.153 9.153 190 HG LEU 25 HG LEU 25 -7.878 10.394 10.394 191 1HD1 LEU 25 2HD1 LEU 25 -8.978 8.651 8.651 192 2HD1 LEU 25 3HD1 LEU 25 -10.465 8.778 8.778 193 3HD1 LEU 25 1HD1 LEU 25 -9.887 10.170 10.170 194 1HD2 LEU 25 3HD2 LEU 25 -8.989 11.187 11.187 195 2HD2 LEU 25 1HD2 LEU 25 -9.958 11.609 11.609 196 3HD2 LEU 25 2HD2 LEU 25 -10.450 10.245 10.245 197 H ILE 26 H ILE 26 -7.098 6.354 6.354 198 HA ILE 26 HA ILE 26 -4.546 7.278 7.278 199 HB ILE 26 HB ILE 26 -6.480 5.054 5.054 200 1HG1 ILE 26 1HG1 ILE 26 -6.714 6.760 6.760 201 2HG1 ILE 26 2HG1 ILE 26 -5.960 7.942 7.942 202 1HG2 ILE 26 3HG2 ILE 26 -3.978 5.958 5.958 203 2HG2 ILE 26 1HG2 ILE 26 -5.305 4.982 4.982 204 3HG2 ILE 26 2HG2 ILE 26 -4.322 4.334 4.334 205 1HD1 ILE 26 3HD1 ILE 26 -8.623 6.446 6.446 206 2HD1 ILE 26 1HD1 ILE 26 -8.461 8.099 8.099 207 3HD1 ILE 26 2HD1 ILE 26 -7.966 7.744 7.744 208 H SER 27 H SER 27 -5.232 4.156 4.156 209 HA SER 27 HA SER 27 -2.562 3.013 3.013 210 1HB SER 27 1HB SER 27 -4.577 1.711 1.711 211 2HB SER 27 2HB SER 27 -4.423 2.491 2.491 212 HG SER 27 HG SER 27 -2.291 1.653 1.653 213 H ARG 28 H ARG 28 -3.694 5.323 5.323 214 HA ARG 28 HA ARG 28 -1.105 5.448 5.448 215 1HB ARG 28 1HB ARG 28 -3.370 5.865 5.865 216 2HB ARG 28 2HB ARG 28 -3.555 7.312 7.312 217 1HG ARG 28 1HG ARG 28 -1.540 8.330 8.330 218 2HG ARG 28 2HG ARG 28 -1.316 6.848 6.848 219 1HD ARG 28 1HD ARG 28 -3.613 7.146 7.146 220 2HD ARG 28 2HD ARG 28 -3.848 8.630 8.630 221 HE ARG 28 HE ARG 28 -1.369 8.937 8.937 222 1HH1 ARG 28 1HH1 ARG 28 -4.858 8.726 8.726 223 2HH1 ARG 28 2HH1 ARG 28 -4.647 9.721 9.721 224 1HH2 ARG 28 1HH2 ARG 28 -1.246 10.060 10.060 225 2HH2 ARG 28 2HH2 ARG 28 -2.738 10.424 10.424 226 H ILE 29 H ILE 29 -2.749 7.383 7.383 227 HA ILE 29 HA ILE 29 -0.570 9.445 9.445 228 HB ILE 29 HB ILE 29 -3.145 8.985 8.985 229 1HG1 ILE 29 1HG1 ILE 29 -2.490 11.238 11.238 230 2HG1 ILE 29 2HG1 ILE 29 -3.309 9.779 9.779 231 1HG2 ILE 29 3HG2 ILE 29 -1.107 11.262 11.262 232 2HG2 ILE 29 1HG2 ILE 29 -2.761 11.340 11.340 233 3HG2 ILE 29 2HG2 ILE 29 -1.624 10.148 10.148 234 1HD1 ILE 29 3HD1 ILE 29 -5.204 10.264 10.264 235 2HD1 ILE 29 1HD1 ILE 29 -4.441 11.838 11.838 236 3HD1 ILE 29 2HD1 ILE 29 -5.007 11.468 11.468 237 H LYS 30 H LYS 30 -1.830 7.800 7.800 238 HA LYS 30 HA LYS 30 -0.737 7.192 7.192 239 1HB LYS 30 1HB LYS 30 -0.207 5.208 5.208 240 2HB LYS 30 2HB LYS 30 1.435 5.677 5.677 241 1HG LYS 30 1HG LYS 30 0.956 3.847 3.847 242 2HG LYS 30 2HG LYS 30 0.968 5.238 5.238 243 1HD LYS 30 1HD LYS 30 -1.581 5.303 5.303 244 2HD LYS 30 2HD LYS 30 -1.568 3.912 3.912 245 1HE LYS 30 1HE LYS 30 -0.438 2.519 2.519 246 2HE LYS 30 2HE LYS 30 -0.444 3.919 3.919 247 1HZ LYS 30 1HZ LYS 30 -2.877 2.628 2.628 248 2HZ LYS 30 2HZ LYS 30 -2.335 2.474 2.474 249 3HZ LYS 30 3HZ LYS 30 -2.882 3.935 3.935 250 H GLN 31 H GLN 31 0.592 9.522 9.522 251 HA GLN 31 HA GLN 31 2.976 10.019 10.019 252 1HB GLN 31 1HB GLN 31 3.270 9.363 9.363 253 2HB GLN 31 2HB GLN 31 4.492 10.296 10.296 254 1HG GLN 31 1HG GLN 31 4.853 8.438 8.438 255 2HG GLN 31 2HG GLN 31 3.718 7.432 7.432 256 1HE2 GLN 31 2HE2 GLN 31 6.150 6.537 6.537 257 2HE2 GLN 31 1HE2 GLN 31 4.435 6.388 6.388 258 H SER 32 H SER 32 0.488 11.444 11.444 259 HA SER 32 HA SER 32 1.896 14.149 14.149 260 1HB SER 32 1HB SER 32 2.566 12.974 12.974 261 2HB SER 32 2HB SER 32 0.870 12.742 12.742 262 HG SER 32 HG SER 32 0.649 15.027 15.027 263 H GLU 33 H GLU 33 0.471 15.185 15.185 264 HA GLU 33 HA GLU 33 -1.398 16.353 16.353 265 1HB GLU 33 1HB GLU 33 -1.194 17.165 17.165 266 2HB GLU 33 2HB GLU 33 -2.472 16.055 16.055 267 1HG GLU 33 1HG GLU 33 -4.103 17.257 17.257 268 2HG GLU 33 2HG GLU 33 -2.807 18.299 18.299 269 H LEU 34 H LEU 34 -1.742 13.187 13.187 270 HA LEU 34 HA LEU 34 -4.158 12.908 12.908 271 1HB LEU 34 1HB LEU 34 -3.586 11.076 11.076 272 2HB LEU 34 2HB LEU 34 -2.013 10.896 10.896 273 HG LEU 34 HG LEU 34 -4.771 10.115 10.115 274 1HD1 LEU 34 2HD1 LEU 34 -3.604 8.591 8.591 275 2HD1 LEU 34 3HD1 LEU 34 -2.211 8.473 8.473 276 3HD1 LEU 34 1HD1 LEU 34 -3.780 7.807 7.807 277 1HD2 LEU 34 2HD2 LEU 34 -2.129 9.859 9.859 278 2HD2 LEU 34 3HD2 LEU 34 -3.535 10.855 10.855 279 3HD2 LEU 34 1HD2 LEU 34 -3.671 9.094 9.094 280 H SER 35 H SER 35 -0.618 12.585 12.585 281 HA SER 35 HA SER 35 0.006 13.624 13.624 282 1HB SER 35 1HB SER 35 0.268 10.714 10.714 283 2HB SER 35 2HB SER 35 1.301 11.384 11.384 284 HG SER 35 HG SER 35 -1.526 11.331 11.331 285 H ALA 36 H ALA 36 1.484 15.011 15.011 286 HA ALA 36 HA ALA 36 3.348 14.420 14.420 287 1HB ALA 36 2HB ALA 36 2.290 16.617 16.617 288 2HB ALA 36 3HB ALA 36 3.104 16.977 16.977 289 3HB ALA 36 1HB ALA 36 4.058 16.754 16.754 290 H LYS 37 H LYS 37 3.769 14.750 14.750 291 HA LYS 37 HA LYS 37 6.717 14.357 14.357 292 1HB LYS 37 1HB LYS 37 5.485 15.523 15.523 293 2HB LYS 37 2HB LYS 37 4.898 13.955 13.955 294 1HG LYS 37 1HG LYS 37 7.281 13.198 13.198 295 2HG LYS 37 2HG LYS 37 7.881 14.715 14.715 296 1HD LYS 37 1HD LYS 37 6.741 15.991 15.991 297 2HD LYS 37 2HD LYS 37 6.127 14.473 14.473 298 1HE LYS 37 1HE LYS 37 8.048 15.041 15.041 299 2HE LYS 37 2HE LYS 37 8.516 13.649 13.649 300 1HZ LYS 37 3HZ LYS 37 9.221 16.491 16.491 301 2HZ LYS 37 1HZ LYS 37 10.240 15.346 15.346 302 3HZ LYS 37 2HZ LYS 37 9.670 15.198 15.198 303 H MET 38 H MET 38 3.975 11.948 11.948 304 HA MET 38 HA MET 38 5.504 9.571 9.571 305 1HB MET 38 1HB MET 38 3.052 10.011 10.011 306 2HB MET 38 2HB MET 38 2.998 10.489 10.489 307 1HG MET 38 1HG MET 38 2.004 8.391 8.391 308 2HG MET 38 2HG MET 38 3.228 8.335 8.335 309 1HE MET 38 3HE MET 38 2.164 5.656 5.656 310 2HE MET 38 2HE MET 38 3.111 5.103 5.103 311 3HE MET 38 1HE MET 38 1.938 6.442 6.442 312 H ARG 39 H ARG 39 5.554 11.819 11.819 313 HA ARG 39 HA ARG 39 6.551 9.999 9.999 314 1HB ARG 39 1HB ARG 39 5.719 12.452 12.452 315 2HB ARG 39 2HB ARG 39 7.286 12.976 12.976 316 1HG ARG 39 1HG ARG 39 8.314 11.645 11.645 317 2HG ARG 39 2HG ARG 39 6.684 11.271 11.271 318 1HD ARG 39 1HD ARG 39 7.928 14.082 14.082 319 2HD ARG 39 2HD ARG 39 7.689 13.211 13.211 320 HE ARG 39 HE ARG 39 5.056 13.366 13.366 321 1HH1 ARG 39 1HH1 ARG 39 7.531 15.811 15.811 322 2HH1 ARG 39 2HH1 ARG 39 6.229 17.088 17.088 323 1HH2 ARG 39 1HH2 ARG 39 3.663 14.899 14.899 324 2HH2 ARG 39 2HH2 ARG 39 4.190 16.605 16.605 325 H GLU 40 H GLU 40 8.417 12.124 12.124 326 HA GLU 40 HA GLU 40 11.030 10.949 10.949 327 1HB GLU 40 1HB GLU 40 11.930 12.022 12.022 328 2HB GLU 40 2HB GLU 40 11.053 13.122 13.122 329 1HG GLU 40 1HG GLU 40 9.119 13.170 13.170 330 2HG GLU 40 2HG GLU 40 9.873 11.956 11.956 331 H TRP 41 H TRP 41 8.656 10.003 10.003 332 HA TRP 41 HA TRP 41 10.237 7.858 7.858 333 1HB TRP 41 1HB TRP 41 8.176 8.764 8.764 334 2HB TRP 41 2HB TRP 41 7.187 8.132 8.132 335 HD1 TRP 41 HD1 TRP 41 8.953 7.045 7.045 336 HE1 TRP 41 HE1 TRP 41 8.329 4.570 4.570 337 HE3 TRP 41 HE3 TRP 41 6.643 5.827 5.827 338 HZ2 TRP 41 HZ2 TRP 41 6.992 2.444 2.444 339 HZ3 TRP 41 HZ3 TRP 41 5.745 3.533 3.533 340 HH2 TRP 41 HH2 TRP 41 5.924 1.870 1.870 341 H PHE 42 H PHE 42 8.165 7.722 7.722 342 HA PHE 42 HA PHE 42 8.567 4.796 4.796 343 1HB PHE 42 1HB PHE 42 7.391 6.955 6.955 344 2HB PHE 42 2HB PHE 42 7.945 5.495 5.495 345 HD1 PHE 42 HD1 PHE 42 7.049 3.234 3.234 346 HD2 PHE 42 HD2 PHE 42 5.218 6.885 6.885 347 HE1 PHE 42 HE1 PHE 42 4.959 2.023 2.023 348 HE2 PHE 42 HE2 PHE 42 3.150 5.668 5.668 349 HZ PHE 42 HZ PHE 42 3.006 3.238 3.238 350 H SER 43 H SER 43 10.361 7.604 7.604 351 HA SER 43 HA SER 43 12.367 6.183 6.183 352 1HB SER 43 1HB SER 43 12.573 8.934 8.934 353 2HB SER 43 2HB SER 43 13.761 8.263 8.263 354 HG SER 43 HG SER 43 12.103 8.108 8.108 355 H GLU 44 H GLU 44 12.330 7.239 7.239 356 HA GLU 44 HA GLU 44 14.922 6.135 6.135 357 1HB GLU 44 1HB GLU 44 12.403 6.814 6.814 358 2HB GLU 44 2HB GLU 44 13.833 6.169 6.169 359 1HG GLU 44 1HG GLU 44 15.236 8.045 8.045 360 2HG GLU 44 2HG GLU 44 14.034 8.671 8.671 361 H THR 45 H THR 45 11.654 4.660 4.660 362 HA THR 45 HA THR 45 12.610 2.200 2.200 363 HB THR 45 HB THR 45 9.894 2.792 2.792 364 HG1 THR 45 HG1 THR 45 10.855 2.977 2.977 365 1HG2 THR 45 3HG2 THR 45 10.651 0.640 0.640 366 2HG2 THR 45 1HG2 THR 45 8.997 1.064 1.064 367 3HG2 THR 45 2HG2 THR 45 10.116 0.324 0.324 368 H PHE 46 H PHE 46 11.302 2.671 2.671 369 HA PHE 46 HA PHE 46 11.796 -0.084 -0.084 370 1HB PHE 46 1HB PHE 46 10.086 1.418 1.418 371 2HB PHE 46 2HB PHE 46 11.351 2.360 2.360 372 HD1 PHE 46 HD2 PHE 46 10.573 -1.393 -1.393 373 HD2 PHE 46 HD1 PHE 46 11.430 1.941 1.941 374 HE1 PHE 46 HE2 PHE 46 10.438 -2.865 -2.865 375 HE2 PHE 46 HE1 PHE 46 11.258 0.452 0.452 376 HZ PHE 46 HZ PHE 46 10.784 -1.952 -1.952 377 H GLN 47 H GLN 47 13.821 2.819 2.819 378 HA GLN 47 HA GLN 47 15.916 1.355 1.355 379 1HB GLN 47 1HB GLN 47 16.278 3.949 3.949 380 2HB GLN 47 2HB GLN 47 17.414 3.293 3.293 381 1HG GLN 47 1HG GLN 47 14.614 4.386 4.386 382 2HG GLN 47 2HG GLN 47 16.143 5.179 5.179 383 1HE2 GLN 47 2HE2 GLN 47 14.740 3.270 3.270 384 2HE2 GLN 47 1HE2 GLN 47 13.855 4.141 4.141 385 H LYS 48 H LYS 48 15.490 1.805 1.805 386 HA LYS 48 HA LYS 48 18.044 0.609 0.609 387 1HB LYS 48 1HB LYS 48 16.564 1.990 1.990 388 2HB LYS 48 2HB LYS 48 15.348 0.721 0.721 389 1HG LYS 48 1HG LYS 48 16.983 -0.819 -0.819 390 2HG LYS 48 2HG LYS 48 18.219 0.426 0.426 391 1HD LYS 48 1HD LYS 48 17.349 0.516 0.516 392 2HD LYS 48 2HD LYS 48 16.846 1.967 1.967 393 1HE LYS 48 1HE LYS 48 14.893 1.209 1.209 394 2HE LYS 48 2HE LYS 48 14.470 0.907 0.907 395 1HZ LYS 48 2HZ LYS 48 15.532 -1.132 -1.132 396 2HZ LYS 48 3HZ LYS 48 13.965 -0.982 -0.982 397 3HZ LYS 48 1HZ LYS 48 15.139 -1.433 -1.433 398 H VAL 49 H VAL 49 14.843 -0.922 -0.922 399 HA VAL 49 HA VAL 49 15.757 -3.691 -3.691 400 HB VAL 49 HB VAL 49 13.614 -3.091 -3.091 401 1HG1 VAL 49 1HG1 VAL 49 14.374 -5.485 -5.485 402 2HG1 VAL 49 2HG1 VAL 49 13.923 -5.441 -5.441 403 3HG1 VAL 49 3HG1 VAL 49 12.676 -5.287 -5.287 404 1HG2 VAL 49 1HG2 VAL 49 13.073 -3.142 -3.142 405 2HG2 VAL 49 2HG2 VAL 49 12.796 -1.778 -1.778 406 3HG2 VAL 49 3HG2 VAL 49 11.819 -3.238 -3.238 407 H LYS 50 H LYS 50 15.673 -1.606 -1.606 408 HA LYS 50 HA LYS 50 16.556 -3.576 -3.576 409 1HB LYS 50 1HB LYS 50 16.898 -0.517 -0.517 410 2HB LYS 50 2HB LYS 50 17.343 -1.555 -1.555 411 1HG LYS 50 1HG LYS 50 15.054 -2.372 -2.372 412 2HG LYS 50 2HG LYS 50 14.487 -1.534 -1.534 413 1HD LYS 50 1HD LYS 50 13.815 -0.327 -0.327 414 2HD LYS 50 2HD LYS 50 14.895 0.684 0.684 415 1HE LYS 50 1HE LYS 50 16.761 0.305 0.305 416 2HE LYS 50 2HE LYS 50 15.870 -0.977 -0.977 417 1HZ LYS 50 3HZ LYS 50 14.239 0.687 0.687 418 2HZ LYS 50 1HZ LYS 50 15.069 1.890 1.890 419 3HZ LYS 50 2HZ LYS 50 15.757 1.097 1.097 420 H GLU 51 H GLU 51 18.604 -1.366 -1.366 421 HA GLU 51 HA GLU 51 21.239 -2.118 -2.118 422 1HB GLU 51 1HB GLU 51 20.286 -1.336 -1.336 423 2HB GLU 51 2HB GLU 51 21.980 -1.576 -1.576 424 1HG GLU 51 1HG GLU 51 22.013 0.262 0.262 425 2HG GLU 51 2HG GLU 51 20.275 0.485 0.485 426 H LYS 52 H LYS 52 19.103 -3.962 -3.962 427 HA LYS 52 HA LYS 52 21.209 -6.087 -6.087 428 1HB LYS 52 1HB LYS 52 18.297 -5.935 -5.935 429 2HB LYS 52 2HB LYS 52 19.450 -7.193 -7.193 430 1HG LYS 52 1HG LYS 52 20.910 -5.528 -5.528 431 2HG LYS 52 2HG LYS 52 19.828 -4.218 -4.218 432 1HD LYS 52 1HD LYS 52 17.916 -5.388 -5.388 433 2HD LYS 52 2HD LYS 52 19.076 -6.596 -6.596 434 1HE LYS 52 1HE LYS 52 18.847 -5.049 -5.049 435 2HE LYS 52 2HE LYS 52 20.444 -4.745 -4.745 436 1HZ LYS 52 3HZ LYS 52 17.994 -3.122 -3.122 437 2HZ LYS 52 1HZ LYS 52 19.249 -2.687 -2.687 438 3HZ LYS 52 2HZ LYS 52 19.484 -2.819 -2.819 439 H LEU 53 H LEU 53 17.776 -6.195 -6.195 440 HA LEU 53 HA LEU 53 18.252 -8.772 -8.772 441 1HB LEU 53 1HB LEU 53 15.864 -6.980 -6.980 442 2HB LEU 53 2HB LEU 53 15.706 -8.257 -8.257 443 HG LEU 53 HG LEU 53 16.411 -9.959 -9.959 444 1HD1 LEU 53 1HD2 LEU 53 16.184 -7.597 -7.597 445 2HD1 LEU 53 2HD2 LEU 53 16.233 -9.319 -9.319 446 3HD1 LEU 53 3HD2 LEU 53 17.635 -8.583 -8.583 447 1HD2 LEU 53 2HD1 LEU 53 14.009 -9.542 -9.542 448 2HD2 LEU 53 3HD1 LEU 53 14.188 -9.963 -9.963 449 3HD2 LEU 53 1HD1 LEU 53 13.914 -8.266 -8.266 450 H LYS 54 H LYS 54 17.117 -5.578 -5.578 451 HA LYS 54 HA LYS 54 17.453 -4.515 -4.515 452 1HB LYS 54 1HB LYS 54 18.551 -7.035 -7.035 453 2HB LYS 54 2HB LYS 54 18.276 -5.518 -5.518 454 1HG LYS 54 1HG LYS 54 20.146 -5.746 -5.746 455 2HG LYS 54 2HG LYS 54 20.677 -6.037 -6.037 456 1HD LYS 54 1HD LYS 54 20.129 -3.718 -3.718 457 2HD LYS 54 2HD LYS 54 19.374 -3.378 -3.378 458 1HE LYS 54 1HE LYS 54 21.520 -2.329 -2.329 459 2HE LYS 54 2HE LYS 54 21.604 -3.696 -3.696 460 1HZ LYS 54 2HZ LYS 54 22.691 -3.652 -3.652 461 2HZ LYS 54 3HZ LYS 54 23.576 -3.547 -3.547 462 3HZ LYS 54 1HZ LYS 54 22.778 -4.947 -4.947 463 H ILE 55 H ILE 55 15.390 -4.067 -4.067 464 HA ILE 55 HA ILE 55 13.556 -5.878 -5.878 465 HB ILE 55 HB ILE 55 12.565 -3.987 -3.987 466 1HG1 ILE 55 1HG1 ILE 55 11.833 -6.341 -6.341 467 2HG1 ILE 55 2HG1 ILE 55 13.230 -6.969 -6.969 468 1HG2 ILE 55 3HG2 ILE 55 10.935 -4.418 -4.418 469 2HG2 ILE 55 1HG2 ILE 55 11.082 -6.172 -6.172 470 3HG2 ILE 55 2HG2 ILE 55 10.384 -5.128 -5.128 471 1HD1 ILE 55 3HD1 ILE 55 13.219 -4.648 -4.648 472 2HD1 ILE 55 1HD1 ILE 55 13.682 -6.334 -6.334 473 3HD1 ILE 55 2HD1 ILE 55 14.689 -5.329 -5.329 474 H ASP 56 H ASP 56 13.687 -4.891 -4.891 475 HA ASP 56 HA ASP 56 14.216 -2.097 -2.097 476 1HB ASP 56 1HB ASP 56 14.680 -3.981 -3.981 477 2HB ASP 56 2HB ASP 56 12.971 -4.103 -4.103 478 H SER 57 H SER 57 11.014 -3.648 -3.648 479 HA SER 57 HA SER 57 9.682 -0.958 -0.958 480 1HB SER 57 1HB SER 57 9.094 -2.731 -2.731 481 2HB SER 57 2HB SER 57 8.456 -3.761 -3.761 482 HG SER 57 HG SER 57 7.012 -2.050 -2.050 Start of MODEL 5 1 1H THR 1 2H THR 1 -42.075 -4.032 -4.032 2 2H THR 1 3H THR 1 -40.868 -4.754 -4.754 3 3H THR 1 1H THR 1 -40.533 -3.441 -3.441 4 HA THR 1 HA THR 1 -41.863 -2.015 -2.015 5 HB THR 1 HB THR 1 -39.427 -2.316 -2.316 6 HG1 THR 1 HG1 THR 1 -40.714 -0.745 -0.745 7 1HG2 THR 1 2HG2 THR 1 -39.463 -4.622 -4.622 8 2HG2 THR 1 3HG2 THR 1 -40.312 -3.912 -3.912 9 3HG2 THR 1 1HG2 THR 1 -38.662 -3.374 -3.374 10 HA PRO 2 HA PRO 2 -45.030 -4.280 -4.280 11 1HB PRO 2 1HB PRO 2 -46.271 -2.195 -2.195 12 2HB PRO 2 2HB PRO 2 -46.411 -2.318 -2.318 13 1HG PRO 2 1HG PRO 2 -44.498 -0.548 -0.548 14 2HG PRO 2 2HG PRO 2 -45.513 -0.116 -0.116 15 1HD PRO 2 1HD PRO 2 -42.823 -0.756 -0.756 16 2HD PRO 2 2HD PRO 2 -44.001 -1.131 -1.131 17 H ASP 3 H ASP 3 -44.010 -5.596 -5.596 18 HA ASP 3 HA ASP 3 -42.970 -6.520 -6.520 19 1HB ASP 3 1HB ASP 3 -43.793 -4.028 -4.028 20 2HB ASP 3 2HB ASP 3 -42.950 -5.395 -5.395 21 H VAL 4 H VAL 4 -41.774 -3.421 -3.421 22 HA VAL 4 HA VAL 4 -39.157 -3.979 -3.979 23 HB VAL 4 HB VAL 4 -39.306 -4.763 -4.763 24 1HG1 VAL 4 1HG1 VAL 4 -40.028 -2.648 -2.648 25 2HG1 VAL 4 2HG1 VAL 4 -38.474 -1.897 -1.897 26 3HG1 VAL 4 3HG1 VAL 4 -38.512 -3.303 -3.303 27 1HG2 VAL 4 2HG2 VAL 4 -37.285 -4.894 -4.894 28 2HG2 VAL 4 3HG2 VAL 4 -36.863 -4.513 -4.513 29 3HG2 VAL 4 1HG2 VAL 4 -36.844 -3.226 -3.226 30 H SER 5 H SER 5 -40.571 -1.461 -1.461 31 HA SER 5 HA SER 5 -40.641 0.893 0.893 32 1HB SER 5 1HB SER 5 -40.845 0.420 0.420 33 2HB SER 5 2HB SER 5 -41.188 1.938 1.938 34 HG SER 5 HG SER 5 -43.037 0.700 0.700 35 H SER 6 H SER 6 -38.281 0.146 0.146 36 HA SER 6 HA SER 6 -36.013 0.489 0.489 37 1HB SER 6 1HB SER 6 -36.637 2.829 2.829 38 2HB SER 6 2HB SER 6 -36.516 3.209 3.209 39 HG SER 6 HG SER 6 -34.629 3.677 3.677 40 H ALA 7 H ALA 7 -36.274 -1.363 -1.363 41 HA ALA 7 HA ALA 7 -34.583 -0.803 -0.803 42 1HB ALA 7 1HB ALA 7 -36.253 -3.304 -3.304 43 2HB ALA 7 2HB ALA 7 -35.251 -3.051 -3.051 44 3HB ALA 7 3HB ALA 7 -36.663 -2.017 -2.017 45 H LEU 8 H LEU 8 -34.779 -3.398 -3.398 46 HA LEU 8 HA LEU 8 -31.880 -3.914 -3.914 47 1HB LEU 8 1HB LEU 8 -34.286 -4.825 -4.825 48 2HB LEU 8 2HB LEU 8 -32.708 -5.102 -5.102 49 HG LEU 8 HG LEU 8 -33.555 -7.076 -7.076 50 1HD1 LEU 8 3HD1 LEU 8 -31.073 -6.736 -6.736 51 2HD1 LEU 8 1HD1 LEU 8 -31.188 -6.056 -6.056 52 3HD1 LEU 8 2HD1 LEU 8 -31.640 -7.750 -7.750 53 1HD2 LEU 8 3HD2 LEU 8 -35.053 -6.089 -6.089 54 2HD2 LEU 8 1HD2 LEU 8 -34.010 -7.372 -7.372 55 3HD2 LEU 8 2HD2 LEU 8 -33.631 -5.666 -5.666 56 H ASP 9 H ASP 9 -33.847 -1.660 -1.660 57 HA ASP 9 HA ASP 9 -31.909 -1.168 -1.168 58 1HB ASP 9 1HB ASP 9 -34.416 -0.508 -0.508 59 2HB ASP 9 2HB ASP 9 -33.990 0.859 0.859 60 H LYS 10 H LYS 10 -32.483 0.719 0.719 61 HA LYS 10 HA LYS 10 -30.131 2.434 2.434 62 1HB LYS 10 2HB LYS 10 -30.416 3.149 3.149 63 2HB LYS 10 1HB LYS 10 -31.961 3.101 3.101 64 1HG LYS 10 1HG LYS 10 -32.520 0.923 0.923 65 2HG LYS 10 2HG LYS 10 -30.963 0.984 0.984 66 1HD LYS 10 1HD LYS 10 -31.609 3.213 3.213 67 2HD LYS 10 2HD LYS 10 -33.182 3.117 3.117 68 1HE LYS 10 1HE LYS 10 -33.687 0.962 0.962 69 2HE LYS 10 2HE LYS 10 -32.111 1.059 1.059 70 1HZ LYS 10 3HZ LYS 10 -32.808 3.187 3.187 71 2HZ LYS 10 1HZ LYS 10 -34.279 3.094 3.094 72 3HZ LYS 10 2HZ LYS 10 -33.866 1.984 1.984 73 H LEU 11 H LEU 11 -30.314 -0.846 -0.846 74 HA LEU 11 HA LEU 11 -27.581 -0.809 -0.809 75 1HB LEU 11 1HB LEU 11 -29.418 -3.157 -3.157 76 2HB LEU 11 2HB LEU 11 -27.868 -3.363 -3.363 77 HG LEU 11 HG LEU 11 -30.158 -1.716 -1.716 78 1HD1 LEU 11 3HD2 LEU 11 -30.847 -4.096 -4.096 79 2HD1 LEU 11 1HD2 LEU 11 -29.367 -4.644 -4.644 80 3HD1 LEU 11 2HD2 LEU 11 -30.594 -3.696 -3.696 81 1HD2 LEU 11 1HD1 LEU 11 -27.539 -2.763 -2.763 82 2HD2 LEU 11 2HD1 LEU 11 -27.938 -1.061 -1.061 83 3HD2 LEU 11 3HD1 LEU 11 -28.865 -1.959 -1.959 84 H LYS 12 H LYS 12 -28.826 -1.986 -1.986 85 HA LYS 12 HA LYS 12 -26.092 -2.733 -2.733 86 1HB LYS 12 1HB LYS 12 -26.987 -3.185 -3.185 87 2HB LYS 12 2HB LYS 12 -28.027 -3.901 -3.901 88 1HG LYS 12 1HG LYS 12 -29.704 -2.036 -2.036 89 2HG LYS 12 2HG LYS 12 -28.643 -1.261 -1.261 90 1HD LYS 12 1HD LYS 12 -28.797 -3.313 -3.313 91 2HD LYS 12 2HD LYS 12 -29.858 -4.074 -4.074 92 1HE LYS 12 1HE LYS 12 -31.251 -3.199 -3.199 93 2HE LYS 12 2HE LYS 12 -31.581 -2.242 -2.242 94 1HZ LYS 12 1HZ LYS 12 -29.813 -1.412 -1.412 95 2HZ LYS 12 2HZ LYS 12 -31.338 -0.851 -0.851 96 3HZ LYS 12 3HZ LYS 12 -30.110 -0.500 -0.500 97 H GLU 13 H GLU 13 -27.836 0.310 0.310 98 HA GLU 13 HA GLU 13 -25.850 1.537 1.537 99 1HB GLU 13 1HB GLU 13 -28.081 2.920 2.920 100 2HB GLU 13 2HB GLU 13 -27.033 3.722 3.722 101 1HG GLU 13 1HG GLU 13 -29.116 1.551 1.551 102 2HG GLU 13 2HG GLU 13 -29.280 3.270 3.270 103 H PHE 14 H PHE 14 -26.587 1.875 1.875 104 HA PHE 14 HA PHE 14 -23.801 3.001 3.001 105 1HB PHE 14 1HB PHE 14 -25.822 3.881 3.881 106 2HB PHE 14 2HB PHE 14 -26.009 2.319 2.319 107 HD1 PHE 14 HD1 PHE 14 -23.692 5.261 5.261 108 HD2 PHE 14 HD2 PHE 14 -24.569 1.712 1.712 109 HE1 PHE 14 HE1 PHE 14 -22.091 5.961 5.961 110 HE2 PHE 14 HE2 PHE 14 -22.956 2.425 2.425 111 HZ PHE 14 HZ PHE 14 -21.714 4.546 4.546 112 H GLY 15 H GLY 15 -22.999 1.126 1.126 113 1HA GLY 15 1HA GLY 15 -21.978 -1.129 -1.129 114 2HA GLY 15 2HA GLY 15 -23.391 -1.598 -1.598 115 H ASN 16 H ASN 16 -23.277 -0.739 -0.739 116 HA ASN 16 HA ASN 16 -20.856 -1.508 -1.508 117 1HB ASN 16 1HB ASN 16 -23.336 -1.424 -1.424 118 2HB ASN 16 2HB ASN 16 -23.157 0.298 0.298 119 1HD2 ASN 16 1HD2 ASN 16 -21.408 -2.115 -2.115 120 2HD2 ASN 16 2HD2 ASN 16 -22.074 -2.802 -2.802 121 H THR 17 H THR 17 -22.012 1.716 1.716 122 HA THR 17 HA THR 17 -19.934 3.303 3.303 123 HB THR 17 HB THR 17 -21.537 4.005 4.005 124 HG1 THR 17 HG1 THR 17 -21.881 4.629 4.629 125 1HG2 THR 17 2HG2 THR 17 -19.986 5.876 5.876 126 2HG2 THR 17 3HG2 THR 17 -21.076 6.395 6.395 127 3HG2 THR 17 1HG2 THR 17 -19.560 5.559 5.559 128 H LEU 18 H LEU 18 -20.054 2.235 2.235 129 HA LEU 18 HA LEU 18 -17.055 2.534 2.534 130 1HB LEU 18 1HB LEU 18 -17.229 2.026 2.026 131 2HB LEU 18 2HB LEU 18 -18.287 3.332 3.332 132 HG LEU 18 HG LEU 18 -19.525 0.538 0.538 133 1HD1 LEU 18 2HD1 LEU 18 -18.107 0.517 0.517 134 2HD1 LEU 18 3HD1 LEU 18 -18.821 2.058 2.058 135 3HD1 LEU 18 1HD1 LEU 18 -19.829 0.590 0.590 136 1HD2 LEU 18 2HD2 LEU 18 -20.563 3.285 3.285 137 2HD2 LEU 18 3HD2 LEU 18 -20.997 2.501 2.501 138 3HD2 LEU 18 1HD2 LEU 18 -21.495 1.769 1.769 139 H GLU 19 H GLU 19 -18.101 0.517 0.517 140 HA GLU 19 HA GLU 19 -16.374 -1.793 -1.793 141 1HB GLU 19 1HB GLU 19 -18.542 -2.281 -2.281 142 2HB GLU 19 2HB GLU 19 -17.893 -1.533 -1.533 143 1HG GLU 19 1HG GLU 19 -16.732 -4.016 -4.016 144 2HG GLU 19 2HG GLU 19 -17.852 -4.070 -4.070 145 H ASP 20 H ASP 20 -16.539 0.256 0.256 146 HA ASP 20 HA ASP 20 -13.616 0.206 0.206 147 1HB ASP 20 1HB ASP 20 -15.378 0.508 0.508 148 2HB ASP 20 2HB ASP 20 -15.659 2.140 2.140 149 H LYS 21 H LYS 21 -15.769 2.662 2.662 150 HA LYS 21 HA LYS 21 -13.636 4.609 4.609 151 1HB LYS 21 1HB LYS 21 -16.225 5.014 5.014 152 2HB LYS 21 2HB LYS 21 -16.164 4.364 4.364 153 1HG LYS 21 1HG LYS 21 -16.165 6.714 6.714 154 2HG LYS 21 2HG LYS 21 -14.563 6.195 6.195 155 1HD LYS 21 1HD LYS 21 -13.592 6.902 6.902 156 2HD LYS 21 2HD LYS 21 -15.203 7.249 7.249 157 1HE LYS 21 1HE LYS 21 -15.531 9.064 9.064 158 2HE LYS 21 2HE LYS 21 -13.936 8.718 8.718 159 1HZ LYS 21 1HZ LYS 21 -14.427 9.638 9.638 160 2HZ LYS 21 2HZ LYS 21 -13.843 10.564 10.564 161 3HZ LYS 21 3HZ LYS 21 -12.940 9.314 9.314 162 H ALA 22 H ALA 22 -14.695 1.814 1.814 163 HA ALA 22 HA ALA 22 -12.885 2.390 2.390 164 1HB ALA 22 2HB ALA 22 -14.752 0.807 0.807 165 2HB ALA 22 3HB ALA 22 -14.049 -0.307 -0.307 166 3HB ALA 22 1HB ALA 22 -13.210 0.001 0.001 167 H ARG 23 H ARG 23 -12.455 0.371 0.371 168 HA ARG 23 HA ARG 23 -9.642 -0.303 -0.303 169 1HB ARG 23 1HB ARG 23 -11.348 0.171 0.171 170 2HB ARG 23 2HB ARG 23 -9.685 -0.352 -0.352 171 1HG ARG 23 1HG ARG 23 -10.088 -2.483 -2.483 172 2HG ARG 23 2HG ARG 23 -11.630 -1.995 -1.995 173 1HD ARG 23 1HD ARG 23 -12.025 -3.493 -3.493 174 2HD ARG 23 2HD ARG 23 -12.718 -1.904 -1.904 175 HE ARG 23 HE ARG 23 -9.975 -2.349 -2.349 176 1HH1 ARG 23 1HH1 ARG 23 -13.481 -2.465 -2.465 177 2HH1 ARG 23 2HH1 ARG 23 -13.183 -2.372 -2.372 178 1HH2 ARG 23 1HH2 ARG 23 -9.761 -2.246 -2.246 179 2HH2 ARG 23 2HH2 ARG 23 -11.221 -2.257 -2.257 180 H GLU 24 H GLU 24 -11.020 2.804 2.804 181 HA GLU 24 HA GLU 24 -8.432 4.013 4.013 182 1HB GLU 24 1HB GLU 24 -10.994 5.440 5.440 183 2HB GLU 24 2HB GLU 24 -9.582 6.254 6.254 184 1HG GLU 24 1HG GLU 24 -11.366 4.337 4.337 185 2HG GLU 24 2HG GLU 24 -11.384 6.084 6.084 186 H LEU 25 H LEU 25 -10.134 3.849 3.849 187 HA LEU 25 HA LEU 25 -7.988 5.319 5.319 188 1HB LEU 25 1HB LEU 25 -10.215 3.490 3.490 189 2HB LEU 25 2HB LEU 25 -8.993 4.190 4.190 190 HG LEU 25 HG LEU 25 -10.912 5.467 5.467 191 1HD1 LEU 25 2HD1 LEU 25 -8.774 6.788 6.788 192 2HD1 LEU 25 3HD1 LEU 25 -9.076 7.253 7.253 193 3HD1 LEU 25 1HD1 LEU 25 -10.193 7.773 7.773 194 1HD2 LEU 25 2HD2 LEU 25 -12.174 4.973 4.973 195 2HD2 LEU 25 3HD2 LEU 25 -12.192 6.704 6.704 196 3HD2 LEU 25 1HD2 LEU 25 -11.147 6.106 6.106 197 H ILE 26 H ILE 26 -8.370 1.866 1.866 198 HA ILE 26 HA ILE 26 -6.113 0.940 0.940 199 HB ILE 26 HB ILE 26 -7.137 -0.417 -0.417 200 1HG1 ILE 26 1HG1 ILE 26 -9.078 -0.322 -0.322 201 2HG1 ILE 26 2HG1 ILE 26 -8.486 -1.952 -1.952 202 1HG2 ILE 26 2HG2 ILE 26 -4.936 -1.325 -1.325 203 2HG2 ILE 26 3HG2 ILE 26 -5.494 -1.607 -1.607 204 3HG2 ILE 26 1HG2 ILE 26 -6.187 -2.533 -2.533 205 1HD1 ILE 26 2HD1 ILE 26 -7.537 -1.584 -1.584 206 2HD1 ILE 26 3HD1 ILE 26 -8.177 0.084 0.084 207 3HD1 ILE 26 1HD1 ILE 26 -9.292 -1.299 -1.299 208 H SER 27 H SER 27 -6.244 1.827 1.827 209 HA SER 27 HA SER 27 -3.377 1.703 1.703 210 1HB SER 27 1HB SER 27 -3.787 3.029 3.029 211 2HB SER 27 2HB SER 27 -4.963 1.732 1.732 212 HG SER 27 HG SER 27 -5.905 3.700 3.700 213 H ARG 28 H ARG 28 -5.314 4.495 4.495 214 HA ARG 28 HA ARG 28 -3.157 6.444 6.444 215 1HB ARG 28 1HB ARG 28 -5.634 6.919 6.919 216 2HB ARG 28 2HB ARG 28 -5.744 6.133 6.133 217 1HG ARG 28 1HG ARG 28 -4.162 7.910 7.910 218 2HG ARG 28 2HG ARG 28 -4.130 8.686 8.686 219 1HD ARG 28 1HD ARG 28 -6.647 9.020 9.020 220 2HD ARG 28 2HD ARG 28 -6.681 8.199 8.199 221 HE ARG 28 HE ARG 28 -4.779 10.435 10.435 222 1HH1 ARG 28 1HH1 ARG 28 -8.285 9.839 9.839 223 2HH1 ARG 28 2HH1 ARG 28 -8.594 11.419 11.419 224 1HH2 ARG 28 1HH2 ARG 28 -5.249 12.210 12.210 225 2HH2 ARG 28 2HH2 ARG 28 -6.988 12.668 12.668 226 H ILE 29 H ILE 29 -4.301 3.977 3.977 227 HA ILE 29 HA ILE 29 -2.487 4.698 4.698 228 HB ILE 29 HB ILE 29 -4.275 2.345 2.345 229 1HG1 ILE 29 1HG1 ILE 29 -5.276 4.357 4.357 230 2HG1 ILE 29 2HG1 ILE 29 -5.459 2.938 2.938 231 1HG2 ILE 29 3HG2 ILE 29 -2.266 2.139 2.139 232 2HG2 ILE 29 1HG2 ILE 29 -3.749 1.152 1.152 233 3HG2 ILE 29 2HG2 ILE 29 -2.474 1.029 1.029 234 1HD1 ILE 29 2HD1 ILE 29 -3.537 3.756 3.756 235 2HD1 ILE 29 3HD1 ILE 29 -3.445 5.232 5.232 236 3HD1 ILE 29 1HD1 ILE 29 -4.923 4.881 4.881 237 H LYS 30 H LYS 30 -2.221 1.864 1.864 238 HA LYS 30 HA LYS 30 0.557 1.383 1.383 239 1HB LYS 30 1HB LYS 30 0.543 -0.437 -0.437 240 2HB LYS 30 2HB LYS 30 -1.004 -0.373 -0.373 241 1HG LYS 30 1HG LYS 30 -1.819 1.005 1.005 242 2HG LYS 30 2HG LYS 30 -0.350 0.456 0.456 243 1HD LYS 30 1HD LYS 30 -2.516 -1.359 -1.359 244 2HD LYS 30 2HD LYS 30 -2.459 -0.925 -0.925 245 1HE LYS 30 1HE LYS 30 -0.259 -2.553 -2.553 246 2HE LYS 30 2HE LYS 30 -1.571 -3.247 -3.247 247 1HZ LYS 30 1HZ LYS 30 -0.715 -2.097 -2.097 248 2HZ LYS 30 2HZ LYS 30 0.521 -1.435 -1.435 249 3HZ LYS 30 3HZ LYS 30 0.444 -3.072 -3.072 250 H GLN 31 H GLN 31 -0.198 3.863 3.863 251 HA GLN 31 HA GLN 31 2.464 4.078 4.078 252 1HB GLN 31 1HB GLN 31 -0.107 5.341 5.341 253 2HB GLN 31 2HB GLN 31 1.482 5.726 5.726 254 1HG GLN 31 1HG GLN 31 1.844 3.379 3.379 255 2HG GLN 31 2HG GLN 31 0.310 2.882 2.882 256 1HE2 GLN 31 2HE2 GLN 31 0.258 4.734 4.734 257 2HE2 GLN 31 1HE2 GLN 31 1.802 4.528 4.528 258 H SER 32 H SER 32 0.413 5.507 5.507 259 HA SER 32 HA SER 32 2.376 7.731 7.731 260 1HB SER 32 1HB SER 32 0.785 8.783 8.783 261 2HB SER 32 2HB SER 32 -0.591 8.397 8.397 262 HG SER 32 HG SER 32 1.652 10.002 10.002 263 H GLU 33 H GLU 33 2.530 8.030 8.030 264 HA GLU 33 HA GLU 33 2.413 7.740 7.740 265 1HB GLU 33 1HB GLU 33 0.640 7.980 7.980 266 2HB GLU 33 2HB GLU 33 0.348 9.016 9.016 267 1HG GLU 33 1HG GLU 33 -1.448 7.541 7.541 268 2HG GLU 33 2HG GLU 33 -1.034 6.269 6.269 269 H LEU 34 H LEU 34 1.476 5.064 5.064 270 HA LEU 34 HA LEU 34 2.694 3.252 3.252 271 1HB LEU 34 1HB LEU 34 1.058 2.127 2.127 272 2HB LEU 34 2HB LEU 34 2.017 2.647 2.647 273 HG LEU 34 HG LEU 34 4.006 1.289 1.289 274 1HD1 LEU 34 2HD1 LEU 34 3.281 1.027 1.027 275 2HD1 LEU 34 3HD1 LEU 34 1.872 0.059 0.059 276 3HD1 LEU 34 1HD1 LEU 34 3.531 -0.550 -0.550 277 1HD2 LEU 34 1HD2 LEU 34 2.713 0.478 0.478 278 2HD2 LEU 34 2HD2 LEU 34 3.211 -0.869 -0.869 279 3HD2 LEU 34 3HD2 LEU 34 1.519 -0.296 -0.296 280 H SER 35 H SER 35 3.297 4.933 4.933 281 HA SER 35 HA SER 35 6.220 4.272 4.272 282 1HB SER 35 1HB SER 35 4.553 6.024 6.024 283 2HB SER 35 2HB SER 35 6.256 5.617 5.617 284 HG SER 35 HG SER 35 5.663 3.415 3.415 285 H ALA 36 H ALA 36 5.581 7.533 7.533 286 HA ALA 36 HA ALA 36 6.631 9.569 9.569 287 1HB ALA 36 1HB ALA 36 4.969 9.389 9.389 288 2HB ALA 36 2HB ALA 36 6.133 8.505 8.505 289 3HB ALA 36 3HB ALA 36 6.471 10.183 10.183 290 H LYS 37 H LYS 37 8.033 7.079 7.079 291 HA LYS 37 HA LYS 37 10.859 7.990 7.990 292 1HB LYS 37 1HB LYS 37 9.745 5.482 5.482 293 2HB LYS 37 2HB LYS 37 11.444 5.738 5.738 294 1HG LYS 37 1HG LYS 37 11.103 6.345 6.345 295 2HG LYS 37 2HG LYS 37 11.497 7.800 7.800 296 1HD LYS 37 1HD LYS 37 9.813 8.268 8.268 297 2HD LYS 37 2HD LYS 37 9.133 8.575 8.575 298 1HE LYS 37 1HE LYS 37 7.918 6.317 6.317 299 2HE LYS 37 2HE LYS 37 8.622 6.030 6.030 300 1HZ LYS 37 1HZ LYS 37 6.821 8.300 8.300 301 2HZ LYS 37 2HZ LYS 37 6.394 6.954 6.954 302 3HZ LYS 37 3HZ LYS 37 7.469 8.034 8.034 303 H MET 38 H MET 38 8.710 5.363 5.363 304 HA MET 38 HA MET 38 10.735 4.387 4.387 305 1HB MET 38 1HB MET 38 7.675 3.979 3.979 306 2HB MET 38 2HB MET 38 8.817 3.113 3.113 307 1HG MET 38 1HG MET 38 8.331 2.847 2.847 308 2HG MET 38 2HG MET 38 8.016 1.677 1.677 309 1HE MET 38 2HE MET 38 9.892 0.213 0.213 310 2HE MET 38 1HE MET 38 10.776 1.644 1.644 311 3HE MET 38 3HE MET 38 11.652 0.375 0.375 312 H ARG 39 H ARG 39 9.204 7.349 7.349 313 HA ARG 39 HA ARG 39 9.113 7.450 7.450 314 1HB ARG 39 1HB ARG 39 6.893 7.111 7.111 315 2HB ARG 39 2HB ARG 39 7.094 8.402 8.402 316 1HG ARG 39 1HG ARG 39 7.000 10.124 10.124 317 2HG ARG 39 2HG ARG 39 6.985 8.890 8.890 318 1HD ARG 39 1HD ARG 39 4.692 9.797 9.797 319 2HD ARG 39 2HD ARG 39 4.784 8.074 8.074 320 HE ARG 39 HE ARG 39 4.601 8.365 8.365 321 1HH1 ARG 39 1HH1 ARG 39 4.417 11.490 11.490 322 2HH1 ARG 39 2HH1 ARG 39 3.877 12.305 12.305 323 1HH2 ARG 39 1HH2 ARG 39 3.934 9.386 9.386 324 2HH2 ARG 39 2HH2 ARG 39 3.624 11.193 11.193 325 H GLU 40 H GLU 40 8.816 9.901 9.901 326 HA GLU 40 HA GLU 40 10.302 11.917 11.917 327 1HB GLU 40 1HB GLU 40 8.496 12.387 12.387 328 2HB GLU 40 2HB GLU 40 9.637 11.970 11.970 329 1HG GLU 40 1HG GLU 40 11.166 13.865 13.865 330 2HG GLU 40 2HG GLU 40 9.973 14.258 14.258 331 H TRP 41 H TRP 41 11.305 10.130 10.130 332 HA TRP 41 HA TRP 41 14.177 10.802 10.802 333 1HB TRP 41 1HB TRP 41 13.075 10.038 10.038 334 2HB TRP 41 2HB TRP 41 12.706 8.492 8.492 335 HD1 TRP 41 HD1 TRP 41 15.463 10.324 10.324 336 HE1 TRP 41 HE1 TRP 41 17.439 8.696 8.696 337 HE3 TRP 41 HE3 TRP 41 14.056 6.473 6.473 338 HZ2 TRP 41 HZ2 TRP 41 18.119 6.032 6.032 339 HZ3 TRP 41 HZ3 TRP 41 15.408 4.405 4.405 340 HH2 TRP 41 HH2 TRP 41 17.405 4.185 4.185 341 H PHE 42 H PHE 42 12.262 8.185 8.185 342 HA PHE 42 HA PHE 42 14.537 6.543 6.543 343 1HB PHE 42 1HB PHE 42 11.997 5.903 5.903 344 2HB PHE 42 2HB PHE 42 11.992 6.648 6.648 345 HD1 PHE 42 HD2 PHE 42 13.387 3.894 3.894 346 HD2 PHE 42 HD1 PHE 42 13.171 5.468 5.468 347 HE1 PHE 42 HE2 PHE 42 14.262 1.775 1.775 348 HE2 PHE 42 HE1 PHE 42 14.049 3.340 3.340 349 HZ PHE 42 HZ PHE 42 14.595 1.492 1.492 350 H SER 43 H SER 43 12.978 9.199 9.199 351 HA SER 43 HA SER 43 14.617 9.190 9.190 352 1HB SER 43 1HB SER 43 13.572 11.348 11.348 353 2HB SER 43 2HB SER 43 12.369 10.139 10.139 354 HG SER 43 HG SER 43 12.314 11.057 11.057 355 H GLU 44 H GLU 44 14.791 11.003 11.003 356 HA GLU 44 HA GLU 44 17.149 12.631 12.631 357 1HB GLU 44 1HB GLU 44 15.962 11.744 11.744 358 2HB GLU 44 2HB GLU 44 17.345 12.793 12.793 359 1HG GLU 44 1HG GLU 44 14.603 13.478 13.478 360 2HG GLU 44 2HG GLU 44 15.144 13.978 13.978 361 H THR 45 H THR 45 16.913 9.438 9.438 362 HA THR 45 HA THR 45 19.864 9.377 9.377 363 HB THR 45 HB THR 45 17.750 7.326 7.326 364 HG1 THR 45 HG1 THR 45 17.826 8.406 8.406 365 1HG2 THR 45 2HG2 THR 45 20.143 6.481 6.481 366 2HG2 THR 45 3HG2 THR 45 20.505 7.874 7.874 367 3HG2 THR 45 1HG2 THR 45 19.317 6.651 6.651 368 H PHE 46 H PHE 46 17.701 7.025 7.025 369 HA PHE 46 HA PHE 46 19.271 5.066 5.066 370 1HB PHE 46 1HB PHE 46 16.856 5.370 5.370 371 2HB PHE 46 2HB PHE 46 17.298 6.211 6.211 372 HD1 PHE 46 HD2 PHE 46 18.047 2.938 2.938 373 HD2 PHE 46 HD1 PHE 46 17.083 4.825 4.825 374 HE1 PHE 46 HE2 PHE 46 17.838 0.733 0.733 375 HE2 PHE 46 HE1 PHE 46 16.837 2.611 2.611 376 HZ PHE 46 HZ PHE 46 17.212 0.562 0.562 377 H GLN 47 H GLN 47 20.814 4.723 4.723 378 HA GLN 47 HA GLN 47 22.828 4.595 4.595 379 1HB GLN 47 1HB GLN 47 22.590 7.649 7.649 380 2HB GLN 47 2HB GLN 47 24.062 6.789 6.789 381 1HG GLN 47 1HG GLN 47 22.996 5.663 5.663 382 2HG GLN 47 2HG GLN 47 21.445 6.389 6.389 383 1HE2 GLN 47 2HE2 GLN 47 22.358 9.551 9.551 384 2HE2 GLN 47 1HE2 GLN 47 21.147 8.622 8.622 385 H LYS 48 H LYS 48 22.285 6.916 6.916 386 HA LYS 48 HA LYS 48 24.691 5.957 5.957 387 1HB LYS 48 1HB LYS 48 22.233 7.480 7.480 388 2HB LYS 48 2HB LYS 48 23.635 7.094 7.094 389 1HG LYS 48 1HG LYS 48 23.523 8.998 8.998 390 2HG LYS 48 2HG LYS 48 23.677 9.433 9.433 391 1HD LYS 48 1HD LYS 48 25.796 8.009 8.009 392 2HD LYS 48 2HD LYS 48 25.802 9.695 9.695 393 1HE LYS 48 1HE LYS 48 26.020 9.000 9.000 394 2HE LYS 48 2HE LYS 48 26.042 7.300 7.300 395 1HZ LYS 48 3HZ LYS 48 28.053 7.752 7.752 396 2HZ LYS 48 1HZ LYS 48 28.042 9.338 9.338 397 3HZ LYS 48 2HZ LYS 48 28.276 8.155 8.155 398 H VAL 49 H VAL 49 21.252 4.948 4.948 399 HA VAL 49 HA VAL 49 21.557 2.767 2.767 400 HB VAL 49 HB VAL 49 19.671 2.512 2.512 401 1HG1 VAL 49 1HG1 VAL 49 19.793 0.517 0.517 402 2HG1 VAL 49 2HG1 VAL 49 19.407 1.504 1.504 403 3HG1 VAL 49 3HG1 VAL 49 18.199 1.260 1.260 404 1HG2 VAL 49 1HG2 VAL 49 19.075 4.785 4.785 405 2HG2 VAL 49 2HG2 VAL 49 17.794 3.629 3.629 406 3HG2 VAL 49 3HG2 VAL 49 18.951 4.107 4.107 407 H LYS 50 H LYS 50 22.258 3.010 3.010 408 HA LYS 50 HA LYS 50 22.687 0.136 0.136 409 1HB LYS 50 1HB LYS 50 23.764 2.372 2.372 410 2HB LYS 50 2HB LYS 50 23.884 0.661 0.661 411 1HG LYS 50 1HG LYS 50 21.420 0.423 0.423 412 2HG LYS 50 2HG LYS 50 21.200 2.081 2.081 413 1HD LYS 50 1HD LYS 50 22.557 2.863 2.863 414 2HD LYS 50 2HD LYS 50 22.567 1.187 1.187 415 1HE LYS 50 1HE LYS 50 20.015 1.211 1.211 416 2HE LYS 50 2HE LYS 50 20.038 2.891 2.891 417 1HZ LYS 50 2HZ LYS 50 21.253 3.499 3.499 418 2HZ LYS 50 3HZ LYS 50 21.237 1.935 1.935 419 3HZ LYS 50 1HZ LYS 50 19.820 2.770 2.770 420 H GLU 51 H GLU 51 24.962 2.801 2.801 421 HA GLU 51 HA GLU 51 27.388 1.195 1.195 422 1HB GLU 51 1HB GLU 51 26.443 3.883 3.883 423 2HB GLU 51 2HB GLU 51 28.007 3.161 3.161 424 1HG GLU 51 1HG GLU 51 28.691 3.296 3.296 425 2HG GLU 51 2HG GLU 51 27.111 3.922 3.922 426 H LYS 52 H LYS 52 24.529 1.967 1.967 427 HA LYS 52 HA LYS 52 25.698 0.355 0.355 428 1HB LYS 52 1HB LYS 52 25.174 2.861 2.861 429 2HB LYS 52 2HB LYS 52 23.481 2.494 2.494 430 1HG LYS 52 1HG LYS 52 23.575 0.897 0.897 431 2HG LYS 52 2HG LYS 52 25.215 1.488 1.488 432 1HD LYS 52 1HD LYS 52 24.305 3.858 3.858 433 2HD LYS 52 2HD LYS 52 22.675 3.230 3.230 434 1HE LYS 52 1HE LYS 52 22.867 1.834 1.834 435 2HE LYS 52 2HE LYS 52 24.502 2.460 2.460 436 1HZ LYS 52 2HZ LYS 52 22.029 4.122 4.122 437 2HZ LYS 52 3HZ LYS 52 22.864 3.703 3.703 438 3HZ LYS 52 1HZ LYS 52 23.554 4.706 4.706 439 H LEU 53 H LEU 53 24.649 -1.152 -1.152 440 HA LEU 53 HA LEU 53 22.242 -2.158 -2.158 441 1HB LEU 53 1HB LEU 53 24.439 -4.194 -4.194 442 2HB LEU 53 2HB LEU 53 22.897 -4.473 -4.473 443 HG LEU 53 HG LEU 53 23.759 -2.598 -2.598 444 1HD1 LEU 53 3HD1 LEU 53 26.412 -3.860 -3.860 445 2HD1 LEU 53 1HD1 LEU 53 26.223 -2.864 -2.864 446 3HD1 LEU 53 2HD1 LEU 53 25.975 -2.142 -2.142 447 1HD2 LEU 53 3HD2 LEU 53 23.072 -4.918 -4.918 448 2HD2 LEU 53 1HD2 LEU 53 24.540 -4.453 -4.453 449 3HD2 LEU 53 2HD2 LEU 53 24.653 -5.552 -5.552 450 H LYS 54 H LYS 54 24.152 -3.195 -3.195 451 HA LYS 54 HA LYS 54 21.560 -3.279 -3.279 452 1HB LYS 54 1HB LYS 54 23.897 -5.218 -5.218 453 2HB LYS 54 2HB LYS 54 22.619 -4.942 -4.942 454 1HG LYS 54 1HG LYS 54 22.279 -6.123 -6.123 455 2HG LYS 54 2HG LYS 54 22.297 -7.025 -7.025 456 1HD LYS 54 1HD LYS 54 20.100 -5.012 -5.012 457 2HD LYS 54 2HD LYS 54 20.040 -6.746 -6.746 458 1HE LYS 54 1HE LYS 54 18.738 -6.375 -6.375 459 2HE LYS 54 2HE LYS 54 20.260 -6.955 -6.955 460 1HZ LYS 54 3HZ LYS 54 19.408 -4.097 -4.097 461 2HZ LYS 54 1HZ LYS 54 19.419 -5.028 -5.028 462 3HZ LYS 54 2HZ LYS 54 20.843 -4.611 -4.611 463 H ILE 55 H ILE 55 24.972 -3.444 -3.444 464 HA ILE 55 HA ILE 55 24.887 -0.504 -0.504 465 HB ILE 55 HB ILE 55 25.975 -0.745 -0.745 466 1HG1 ILE 55 1HG1 ILE 55 26.930 -2.941 -2.941 467 2HG1 ILE 55 2HG1 ILE 55 25.842 -2.658 -2.658 468 1HG2 ILE 55 2HG2 ILE 55 23.592 -0.166 -0.166 469 2HG2 ILE 55 3HG2 ILE 55 23.130 -1.878 -1.878 470 3HG2 ILE 55 1HG2 ILE 55 23.946 -1.063 -1.063 471 1HD1 ILE 55 3HD1 ILE 55 24.059 -4.084 -4.084 472 2HD1 ILE 55 1HD1 ILE 55 25.321 -4.490 -4.490 473 3HD1 ILE 55 2HD1 ILE 55 25.531 -4.955 -4.955 474 H ASP 56 H ASP 56 26.360 0.230 0.230 475 HA ASP 56 HA ASP 56 29.175 -0.795 -0.795 476 1HB ASP 56 1HB ASP 56 28.090 -2.360 -2.360 477 2HB ASP 56 2HB ASP 56 27.585 -1.023 -1.023 478 H SER 57 H SER 57 27.809 1.113 1.113 479 HA SER 57 HA SER 57 27.891 3.364 3.364 480 1HB SER 57 1HB SER 57 28.927 4.144 4.144 481 2HB SER 57 2HB SER 57 28.440 5.234 5.234 482 HG SER 57 HG SER 57 26.793 4.856 4.856 Start of MODEL 6 1 1H THR 1 2H THR 1 -33.156 2.460 2.460 2 2H THR 1 3H THR 1 -31.874 1.660 1.660 3 3H THR 1 1H THR 1 -31.650 2.620 2.620 4 HA THR 1 HA THR 1 -32.989 1.193 1.193 5 HB THR 1 HB THR 1 -30.604 0.927 0.927 6 HG1 THR 1 HG1 THR 1 -31.914 -0.507 -0.507 7 1HG2 THR 1 2HG2 THR 1 -30.111 0.393 0.393 8 2HG2 THR 1 3HG2 THR 1 -30.780 -1.238 -1.238 9 3HG2 THR 1 1HG2 THR 1 -29.338 -0.716 -0.716 10 HA PRO 2 HA PRO 2 -35.507 -1.244 -1.244 11 1HB PRO 2 1HB PRO 2 -38.013 -0.046 -0.046 12 2HB PRO 2 2HB PRO 2 -36.714 0.757 0.757 13 1HG PRO 2 1HG PRO 2 -37.589 1.299 1.299 14 2HG PRO 2 2HG PRO 2 -37.254 2.470 2.470 15 1HD PRO 2 1HD PRO 2 -35.379 1.807 1.807 16 2HD PRO 2 2HD PRO 2 -34.884 2.266 2.266 17 H ASP 3 H ASP 3 -36.451 -3.125 -3.125 18 HA ASP 3 HA ASP 3 -37.132 -5.012 -5.012 19 1HB ASP 3 1HB ASP 3 -39.143 -3.710 -3.710 20 2HB ASP 3 2HB ASP 3 -39.327 -3.088 -3.088 21 H VAL 4 H VAL 4 -38.247 -3.212 -3.212 22 HA VAL 4 HA VAL 4 -35.903 -4.264 -4.264 23 HB VAL 4 HB VAL 4 -37.601 -6.085 -6.085 24 1HG1 VAL 4 3HG1 VAL 4 -39.758 -4.798 -4.798 25 2HG1 VAL 4 1HG1 VAL 4 -39.378 -4.592 -4.592 26 3HG1 VAL 4 2HG1 VAL 4 -39.606 -6.217 -6.217 27 1HG2 VAL 4 2HG2 VAL 4 -35.807 -6.086 -6.086 28 2HG2 VAL 4 3HG2 VAL 4 -37.266 -6.888 -6.888 29 3HG2 VAL 4 1HG2 VAL 4 -36.848 -5.245 -5.245 30 H SER 5 H SER 5 -38.015 -3.506 -3.506 31 HA SER 5 HA SER 5 -37.774 -1.922 -1.922 32 1HB SER 5 1HB SER 5 -37.675 0.216 0.216 33 2HB SER 5 2HB SER 5 -37.851 0.523 0.523 34 HG SER 5 HG SER 5 -39.830 0.438 0.438 35 H SER 6 H SER 6 -35.672 -3.353 -3.353 36 HA SER 6 HA SER 6 -33.397 -3.627 -3.627 37 1HB SER 6 1HB SER 6 -33.275 -0.707 -0.707 38 2HB SER 6 2HB SER 6 -32.029 -1.933 -1.933 39 HG SER 6 HG SER 6 -34.687 -2.084 -2.084 40 H ALA 7 H ALA 7 -33.782 -3.799 -3.799 41 HA ALA 7 HA ALA 7 -32.285 -1.832 -1.832 42 1HB ALA 7 2HB ALA 7 -34.243 -2.936 -2.936 43 2HB ALA 7 3HB ALA 7 -33.495 -4.546 -4.546 44 3HB ALA 7 1HB ALA 7 -32.798 -3.349 -3.349 45 H LEU 8 H LEU 8 -31.515 -5.168 -5.168 46 HA LEU 8 HA LEU 8 -28.869 -5.308 -5.308 47 1HB LEU 8 1HB LEU 8 -30.406 -6.840 -6.840 48 2HB LEU 8 2HB LEU 8 -28.705 -7.019 -7.019 49 HG LEU 8 HG LEU 8 -29.793 -8.831 -8.831 50 1HD1 LEU 8 2HD1 LEU 8 -27.486 -8.211 -8.211 51 2HD1 LEU 8 3HD1 LEU 8 -28.162 -7.208 -7.208 52 3HD1 LEU 8 1HD1 LEU 8 -28.426 -8.967 -8.967 53 1HD2 LEU 8 1HD2 LEU 8 -31.827 -7.680 -7.680 54 2HD2 LEU 8 2HD2 LEU 8 -31.006 -8.657 -8.657 55 3HD2 LEU 8 3HD2 LEU 8 -30.833 -6.886 -6.886 56 H ASP 9 H ASP 9 -29.975 -3.877 -3.877 57 HA ASP 9 HA ASP 9 -27.318 -3.217 -3.217 58 1HB ASP 9 1HB ASP 9 -29.598 -3.161 -3.161 59 2HB ASP 9 2HB ASP 9 -29.944 -1.667 -1.667 60 H LYS 10 H LYS 10 -29.565 -1.375 -1.375 61 HA LYS 10 HA LYS 10 -27.772 0.914 0.914 62 1HB LYS 10 1HB LYS 10 -30.160 -0.156 -0.156 63 2HB LYS 10 2HB LYS 10 -29.307 1.324 1.324 64 1HG LYS 10 1HG LYS 10 -29.928 2.380 2.380 65 2HG LYS 10 2HG LYS 10 -30.664 0.891 0.891 66 1HD LYS 10 1HD LYS 10 -32.498 2.231 2.231 67 2HD LYS 10 2HD LYS 10 -32.341 0.982 0.982 68 1HE LYS 10 1HE LYS 10 -32.833 3.030 3.030 69 2HE LYS 10 2HE LYS 10 -31.154 2.662 2.662 70 1HZ LYS 10 2HZ LYS 10 -32.074 4.634 4.634 71 2HZ LYS 10 3HZ LYS 10 -31.451 4.993 4.993 72 3HZ LYS 10 1HZ LYS 10 -30.491 4.298 4.298 73 H LEU 11 H LEU 11 -27.937 -2.259 -2.259 74 HA LEU 11 HA LEU 11 -26.163 -1.479 -1.479 75 1HB LEU 11 1HB LEU 11 -27.094 -4.209 -4.209 76 2HB LEU 11 2HB LEU 11 -25.980 -4.092 -4.092 77 HG LEU 11 HG LEU 11 -28.730 -2.726 -2.726 78 1HD1 LEU 11 2HD1 LEU 11 -29.106 -5.149 -5.149 79 2HD1 LEU 11 3HD1 LEU 11 -28.014 -5.567 -5.567 80 3HD1 LEU 11 1HD1 LEU 11 -29.545 -4.709 -4.709 81 1HD2 LEU 11 2HD2 LEU 11 -26.754 -3.547 -3.547 82 2HD2 LEU 11 3HD2 LEU 11 -27.071 -1.884 -1.884 83 3HD2 LEU 11 1HD2 LEU 11 -28.356 -2.808 -2.808 84 H LYS 12 H LYS 12 -25.551 -3.136 -3.136 85 HA LYS 12 HA LYS 12 -22.619 -3.303 -3.303 86 1HB LYS 12 1HB LYS 12 -22.294 -4.075 -4.075 87 2HB LYS 12 2HB LYS 12 -23.597 -4.945 -4.945 88 1HG LYS 12 1HG LYS 12 -25.262 -3.450 -3.450 89 2HG LYS 12 2HG LYS 12 -23.921 -2.756 -2.756 90 1HD LYS 12 1HD LYS 12 -24.555 -5.774 -5.774 91 2HD LYS 12 2HD LYS 12 -25.226 -4.677 -4.677 92 1HE LYS 12 1HE LYS 12 -22.888 -4.119 -4.119 93 2HE LYS 12 2HE LYS 12 -22.201 -5.235 -5.235 94 1HZ LYS 12 3HZ LYS 12 -24.079 -6.007 -6.007 95 2HZ LYS 12 1HZ LYS 12 -22.452 -6.291 -6.291 96 3HZ LYS 12 2HZ LYS 12 -23.440 -7.047 -7.047 97 H GLU 13 H GLU 13 -24.656 -0.784 -0.784 98 HA GLU 13 HA GLU 13 -22.338 0.857 0.857 99 1HB GLU 13 1HB GLU 13 -24.592 1.037 1.037 100 2HB GLU 13 2HB GLU 13 -25.301 1.615 1.615 101 1HG GLU 13 1HG GLU 13 -24.968 3.492 3.492 102 2HG GLU 13 2HG GLU 13 -23.923 3.714 3.714 103 H PHE 14 H PHE 14 -24.630 1.101 1.101 104 HA PHE 14 HA PHE 14 -22.593 2.773 2.773 105 1HB PHE 14 1HB PHE 14 -25.051 3.378 3.378 106 2HB PHE 14 2HB PHE 14 -25.356 1.877 1.877 107 HD1 PHE 14 HD2 PHE 14 -23.264 5.044 5.044 108 HD2 PHE 14 HD1 PHE 14 -24.977 1.818 1.818 109 HE1 PHE 14 HE2 PHE 14 -22.541 6.122 6.122 110 HE2 PHE 14 HE1 PHE 14 -24.250 2.917 2.917 111 HZ PHE 14 HZ PHE 14 -23.028 5.062 5.062 112 H GLY 15 H GLY 15 -21.085 1.122 1.122 113 1HA GLY 15 1HA GLY 15 -20.509 -0.539 -0.539 114 2HA GLY 15 2HA GLY 15 -21.370 -1.616 -1.616 115 H ASN 16 H ASN 16 -20.263 -0.759 -0.759 116 HA ASN 16 HA ASN 16 -17.303 -0.744 -0.744 117 1HB ASN 16 1HB ASN 16 -18.862 -1.051 -1.051 118 2HB ASN 16 2HB ASN 16 -19.213 0.652 0.652 119 1HD2 ASN 16 1HD2 ASN 16 -16.182 1.431 1.431 120 2HD2 ASN 16 2HD2 ASN 16 -17.799 1.976 1.976 121 H THR 17 H THR 17 -19.748 1.817 1.817 122 HA THR 17 HA THR 17 -17.740 3.880 3.880 123 HB THR 17 HB THR 17 -20.705 3.661 3.661 124 HG1 THR 17 HG1 THR 17 -20.363 3.827 3.827 125 1HG2 THR 17 3HG2 THR 17 -18.816 6.103 6.103 126 2HG2 THR 17 1HG2 THR 17 -20.573 6.138 6.138 127 3HG2 THR 17 2HG2 THR 17 -19.506 5.274 5.274 128 H LEU 18 H LEU 18 -17.307 4.265 4.265 129 HA LEU 18 HA LEU 18 -16.198 3.582 3.582 130 1HB LEU 18 1HB LEU 18 -18.077 1.335 1.335 131 2HB LEU 18 2HB LEU 18 -17.282 2.497 2.497 132 HG LEU 18 HG LEU 18 -19.642 3.088 3.088 133 1HD1 LEU 18 3HD2 LEU 18 -20.309 1.520 1.520 134 2HD1 LEU 18 1HD2 LEU 18 -19.661 2.620 2.620 135 3HD1 LEU 18 2HD2 LEU 18 -21.066 3.102 3.102 136 1HD2 LEU 18 2HD1 LEU 18 -18.322 5.189 5.189 137 2HD2 LEU 18 3HD1 LEU 18 -19.911 5.248 5.248 138 3HD2 LEU 18 1HD1 LEU 18 -18.458 4.877 4.877 139 H GLU 19 H GLU 19 -16.537 1.219 1.219 140 HA GLU 19 HA GLU 19 -14.162 -0.355 -0.355 141 1HB GLU 19 1HB GLU 19 -16.176 -1.700 -1.700 142 2HB GLU 19 2HB GLU 19 -15.807 -1.198 -1.198 143 1HG GLU 19 1HG GLU 19 -14.958 -3.421 -3.421 144 2HG GLU 19 2HG GLU 19 -13.565 -2.369 -2.369 145 H ASP 20 H ASP 20 -14.896 0.457 0.457 146 HA ASP 20 HA ASP 20 -12.069 1.013 1.013 147 1HB ASP 20 1HB ASP 20 -13.844 0.136 0.136 148 2HB ASP 20 2HB ASP 20 -14.574 1.727 1.727 149 H LYS 21 H LYS 21 -14.832 3.172 3.172 150 HA LYS 21 HA LYS 21 -13.393 5.690 5.690 151 1HB LYS 21 1HB LYS 21 -15.905 5.487 5.487 152 2HB LYS 21 2HB LYS 21 -15.746 5.137 5.137 153 1HG LYS 21 1HG LYS 21 -16.436 7.422 7.422 154 2HG LYS 21 2HG LYS 21 -14.827 7.416 7.416 155 1HD LYS 21 1HD LYS 21 -13.833 7.939 7.939 156 2HD LYS 21 2HD LYS 21 -15.456 7.925 7.925 157 1HE LYS 21 1HE LYS 21 -16.118 9.859 9.859 158 2HE LYS 21 2HE LYS 21 -14.497 9.853 9.853 159 1HZ LYS 21 2HZ LYS 21 -13.589 10.353 10.353 160 2HZ LYS 21 3HZ LYS 21 -15.100 10.358 10.358 161 3HZ LYS 21 1HZ LYS 21 -14.686 11.500 11.500 162 H ALA 22 H ALA 22 -13.484 3.545 3.545 163 HA ALA 22 HA ALA 22 -11.744 5.375 5.375 164 1HB ALA 22 1HB ALA 22 -13.222 3.763 3.763 165 2HB ALA 22 2HB ALA 22 -12.317 2.394 2.394 166 3HB ALA 22 3HB ALA 22 -11.515 3.513 3.513 167 H ARG 23 H ARG 23 -11.145 2.534 2.534 168 HA ARG 23 HA ARG 23 -8.154 2.763 2.763 169 1HB ARG 23 1HB ARG 23 -9.410 0.553 0.553 170 2HB ARG 23 2HB ARG 23 -9.803 0.943 0.943 171 1HG ARG 23 1HG ARG 23 -7.270 1.059 1.059 172 2HG ARG 23 2HG ARG 23 -6.965 0.569 0.569 173 1HD ARG 23 1HD ARG 23 -8.491 -1.080 -1.080 174 2HD ARG 23 2HD ARG 23 -6.827 -1.311 -1.311 175 HE ARG 23 HE ARG 23 -7.485 -2.198 -2.198 176 1HH1 ARG 23 1HH1 ARG 23 -10.298 -1.600 -1.600 177 2HH1 ARG 23 2HH1 ARG 23 -11.324 -2.706 -2.706 178 1HH2 ARG 23 1HH2 ARG 23 -8.741 -3.445 -3.445 179 2HH2 ARG 23 2HH2 ARG 23 -10.501 -3.678 -3.678 180 H GLU 24 H GLU 24 -8.402 5.019 5.019 181 HA GLU 24 HA GLU 24 -7.685 5.909 5.909 182 1HB GLU 24 1HB GLU 24 -9.961 5.126 5.126 183 2HB GLU 24 2HB GLU 24 -10.741 6.090 6.090 184 1HG GLU 24 1HG GLU 24 -10.949 7.198 7.198 185 2HG GLU 24 2HG GLU 24 -9.936 8.199 8.199 186 H LEU 25 H LEU 25 -9.951 6.809 6.809 187 HA LEU 25 HA LEU 25 -8.830 9.554 9.554 188 1HB LEU 25 2HB LEU 25 -11.209 9.004 9.004 189 2HB LEU 25 1HB LEU 25 -10.682 7.921 7.921 190 HG LEU 25 HG LEU 25 -9.693 9.880 9.880 191 1HD1 LEU 25 2HD1 LEU 25 -10.971 11.633 11.633 192 2HD1 LEU 25 3HD1 LEU 25 -10.311 12.231 12.231 193 3HD1 LEU 25 1HD1 LEU 25 -9.231 11.489 11.489 194 1HD2 LEU 25 3HD2 LEU 25 -11.999 9.063 9.063 195 2HD2 LEU 25 1HD2 LEU 25 -11.882 10.816 10.816 196 3HD2 LEU 25 2HD2 LEU 25 -12.684 10.173 10.173 197 H ILE 26 H ILE 26 -8.440 6.471 6.471 198 HA ILE 26 HA ILE 26 -6.393 7.565 7.565 199 HB ILE 26 HB ILE 26 -7.229 4.692 4.692 200 1HG1 ILE 26 1HG1 ILE 26 -7.717 6.487 6.487 201 2HG1 ILE 26 2HG1 ILE 26 -8.876 6.362 6.362 202 1HG2 ILE 26 3HG2 ILE 26 -5.262 5.714 5.714 203 2HG2 ILE 26 1HG2 ILE 26 -5.928 4.063 4.063 204 3HG2 ILE 26 2HG2 ILE 26 -4.861 4.644 4.644 205 1HD1 ILE 26 2HD1 ILE 26 -9.095 3.890 3.890 206 2HD1 ILE 26 3HD1 ILE 26 -8.022 4.023 4.023 207 3HD1 ILE 26 1HD1 ILE 26 -9.584 4.879 4.879 208 H SER 27 H SER 27 -6.225 5.649 5.649 209 HA SER 27 HA SER 27 -3.322 5.397 5.397 210 1HB SER 27 1HB SER 27 -5.386 5.556 5.556 211 2HB SER 27 2HB SER 27 -3.704 5.049 5.049 212 HG SER 27 HG SER 27 -5.636 3.834 3.834 213 H ARG 28 H ARG 28 -5.377 8.122 8.122 214 HA ARG 28 HA ARG 28 -3.198 9.763 9.763 215 1HB ARG 28 1HB ARG 28 -5.636 9.985 9.985 216 2HB ARG 28 2HB ARG 28 -6.011 10.551 10.551 217 1HG ARG 28 1HG ARG 28 -4.389 12.551 12.551 218 2HG ARG 28 2HG ARG 28 -4.203 11.936 11.936 219 1HD ARG 28 1HD ARG 28 -5.828 13.693 13.693 220 2HD ARG 28 2HD ARG 28 -6.730 12.194 12.194 221 HE ARG 28 HE ARG 28 -6.845 12.784 12.784 222 1HH1 ARG 28 1HH1 ARG 28 -8.013 14.256 14.256 223 2HH1 ARG 28 2HH1 ARG 28 -9.390 15.059 15.059 224 1HH2 ARG 28 1HH2 ARG 28 -8.445 13.744 13.744 225 2HH2 ARG 28 2HH2 ARG 28 -9.615 14.787 14.787 226 H ILE 29 H ILE 29 -4.829 9.590 9.590 227 HA ILE 29 HA ILE 29 -3.342 11.868 11.868 228 HB ILE 29 HB ILE 29 -5.318 9.855 9.855 229 1HG1 ILE 29 1HG1 ILE 29 -6.250 11.630 11.630 230 2HG1 ILE 29 2HG1 ILE 29 -6.864 11.690 11.690 231 1HG2 ILE 29 3HG2 ILE 29 -4.026 12.041 12.041 232 2HG2 ILE 29 1HG2 ILE 29 -5.498 11.129 11.129 233 3HG2 ILE 29 2HG2 ILE 29 -3.960 10.286 10.286 234 1HD1 ILE 29 2HD1 ILE 29 -5.380 13.682 13.682 235 2HD1 ILE 29 3HD1 ILE 29 -4.743 13.611 13.611 236 3HD1 ILE 29 1HD1 ILE 29 -6.462 13.969 13.969 237 H LYS 30 H LYS 30 -3.356 8.724 8.724 238 HA LYS 30 HA LYS 30 -1.668 7.520 7.520 239 1HB LYS 30 1HB LYS 30 0.222 8.247 8.247 240 2HB LYS 30 2HB LYS 30 0.485 6.999 6.999 241 1HG LYS 30 1HG LYS 30 -1.683 7.018 7.018 242 2HG LYS 30 2HG LYS 30 -0.198 6.108 6.108 243 1HD LYS 30 1HD LYS 30 -2.449 5.619 5.619 244 2HD LYS 30 2HD LYS 30 -2.287 4.795 4.795 245 1HE LYS 30 1HE LYS 30 -1.388 3.248 3.248 246 2HE LYS 30 2HE LYS 30 0.036 3.928 3.928 247 1HZ LYS 30 2HZ LYS 30 -1.019 4.708 4.708 248 2HZ LYS 30 3HZ LYS 30 0.307 3.766 3.766 249 3HZ LYS 30 1HZ LYS 30 0.323 5.363 5.363 250 H GLN 31 H GLN 31 -2.008 9.384 9.384 251 HA GLN 31 HA GLN 31 -1.391 11.014 11.014 252 1HB GLN 31 1HB GLN 31 0.439 9.316 9.316 253 2HB GLN 31 2HB GLN 31 1.537 10.325 10.325 254 1HG GLN 31 1HG GLN 31 0.712 12.297 12.297 255 2HG GLN 31 2HG GLN 31 -0.064 11.081 11.081 256 1HE2 GLN 31 2HE2 GLN 31 4.016 11.494 11.494 257 2HE2 GLN 31 1HE2 GLN 31 3.031 12.411 12.411 258 H SER 32 H SER 32 -2.166 12.048 12.048 259 HA SER 32 HA SER 32 -2.501 14.343 14.343 260 1HB SER 32 1HB SER 32 -0.904 15.322 15.322 261 2HB SER 32 2HB SER 32 0.430 15.043 15.043 262 HG SER 32 HG SER 32 -1.929 16.534 16.534 263 H GLU 33 H GLU 33 -2.560 14.866 14.866 264 HA GLU 33 HA GLU 33 -0.978 13.255 13.255 265 1HB GLU 33 1HB GLU 33 -2.323 14.196 14.196 266 2HB GLU 33 2HB GLU 33 -3.321 13.615 13.615 267 1HG GLU 33 1HG GLU 33 -3.565 16.065 16.065 268 2HG GLU 33 2HG GLU 33 -2.683 16.576 16.576 269 H LEU 34 H LEU 34 0.557 15.014 15.014 270 HA LEU 34 HA LEU 34 2.204 16.422 16.422 271 1HB LEU 34 1HB LEU 34 1.610 17.854 17.854 272 2HB LEU 34 2HB LEU 34 2.442 16.729 16.729 273 HG LEU 34 HG LEU 34 3.673 18.807 18.807 274 1HD1 LEU 34 2HD1 LEU 34 4.979 16.749 16.749 275 2HD1 LEU 34 3HD1 LEU 34 5.305 16.448 16.448 276 3HD1 LEU 34 1HD1 LEU 34 5.915 17.922 17.922 277 1HD2 LEU 34 3HD2 LEU 34 2.960 19.236 19.236 278 2HD2 LEU 34 1HD2 LEU 34 4.720 19.357 19.357 279 3HD2 LEU 34 2HD2 LEU 34 4.015 17.917 17.917 280 H SER 35 H SER 35 2.145 14.221 14.221 281 HA SER 35 HA SER 35 4.157 12.312 12.312 282 1HB SER 35 1HB SER 35 3.426 12.611 12.611 283 2HB SER 35 2HB SER 35 1.983 11.705 11.705 284 HG SER 35 HG SER 35 3.388 10.067 10.067 285 H ALA 36 H ALA 36 2.305 10.118 10.118 286 HA ALA 36 HA ALA 36 1.768 8.401 8.401 287 1HB ALA 36 2HB ALA 36 -0.408 9.430 9.430 288 2HB ALA 36 3HB ALA 36 0.258 10.530 10.530 289 3HB ALA 36 1HB ALA 36 0.237 8.772 8.772 290 H LYS 37 H LYS 37 2.948 11.299 11.299 291 HA LYS 37 HA LYS 37 4.507 9.794 9.794 292 1HB LYS 37 1HB LYS 37 5.279 11.916 11.916 293 2HB LYS 37 2HB LYS 37 3.536 11.810 11.810 294 1HG LYS 37 1HG LYS 37 3.600 13.248 13.248 295 2HG LYS 37 2HG LYS 37 5.333 13.418 13.418 296 1HD LYS 37 1HD LYS 37 4.418 15.405 15.405 297 2HD LYS 37 2HD LYS 37 4.860 14.484 14.484 298 1HE LYS 37 1HE LYS 37 2.414 13.772 13.772 299 2HE LYS 37 2HE LYS 37 1.999 14.668 14.668 300 1HZ LYS 37 1HZ LYS 37 2.745 16.711 16.711 301 2HZ LYS 37 2HZ LYS 37 3.134 15.874 15.874 302 3HZ LYS 37 3HZ LYS 37 1.560 15.968 15.968 303 H MET 38 H MET 38 5.227 11.608 11.608 304 HA MET 38 HA MET 38 8.090 10.923 10.923 305 1HB MET 38 1HB MET 38 6.171 11.435 11.435 306 2HB MET 38 2HB MET 38 7.905 11.290 11.290 307 1HG MET 38 1HG MET 38 6.422 13.523 13.523 308 2HG MET 38 2HG MET 38 7.243 13.662 13.662 309 1HE MET 38 3HE MET 38 9.866 13.655 13.655 310 2HE MET 38 2HE MET 38 10.142 12.059 12.059 311 3HE MET 38 1HE MET 38 11.069 13.482 13.482 312 H ARG 39 H ARG 39 5.187 9.105 9.105 313 HA ARG 39 HA ARG 39 6.867 6.951 6.951 314 1HB ARG 39 1HB ARG 39 3.842 7.134 7.134 315 2HB ARG 39 2HB ARG 39 4.603 5.669 5.669 316 1HG ARG 39 1HG ARG 39 5.561 6.814 6.814 317 2HG ARG 39 2HG ARG 39 4.952 8.376 8.376 318 1HD ARG 39 1HD ARG 39 2.589 7.605 7.605 319 2HD ARG 39 2HD ARG 39 3.132 5.970 5.970 320 HE ARG 39 HE ARG 39 4.377 7.906 7.906 321 1HH1 ARG 39 1HH1 ARG 39 1.218 6.397 6.397 322 2HH1 ARG 39 2HH1 ARG 39 0.788 6.544 6.544 323 1HH2 ARG 39 1HH2 ARG 39 3.785 8.020 8.020 324 2HH2 ARG 39 2HH2 ARG 39 2.146 7.402 7.402 325 H GLU 40 H GLU 40 5.209 7.200 7.200 326 HA GLU 40 HA GLU 40 6.100 4.592 4.592 327 1HB GLU 40 1HB GLU 40 5.357 7.190 7.190 328 2HB GLU 40 2HB GLU 40 5.840 5.755 5.755 329 1HG GLU 40 1HG GLU 40 3.953 4.430 4.430 330 2HG GLU 40 2HG GLU 40 3.466 5.720 5.720 331 H TRP 41 H TRP 41 7.672 7.806 7.806 332 HA TRP 41 HA TRP 41 10.125 6.975 6.975 333 1HB TRP 41 1HB TRP 41 9.345 9.338 9.338 334 2HB TRP 41 2HB TRP 41 9.600 9.373 9.373 335 HD1 TRP 41 HD1 TRP 41 11.473 9.675 9.675 336 HE1 TRP 41 HE1 TRP 41 13.994 10.380 10.380 337 HE3 TRP 41 HE3 TRP 41 11.581 8.965 8.965 338 HZ2 TRP 41 HZ2 TRP 41 15.689 10.538 10.538 339 HZ3 TRP 41 HZ3 TRP 41 13.713 9.385 9.385 340 HH2 TRP 41 HH2 TRP 41 15.721 10.147 10.147 341 H PHE 42 H PHE 42 9.300 6.955 6.955 342 HA PHE 42 HA PHE 42 12.071 6.345 6.345 343 1HB PHE 42 1HB PHE 42 9.386 5.941 5.941 344 2HB PHE 42 2HB PHE 42 10.915 5.521 5.521 345 HD1 PHE 42 HD2 PHE 42 12.820 7.573 7.573 346 HD2 PHE 42 HD1 PHE 42 8.551 7.990 7.990 347 HE1 PHE 42 HE2 PHE 42 13.112 9.805 9.805 348 HE2 PHE 42 HE1 PHE 42 8.868 10.219 10.219 349 HZ PHE 42 HZ PHE 42 11.143 11.138 11.138 350 H SER 43 H SER 43 9.360 4.387 4.387 351 HA SER 43 HA SER 43 10.593 1.732 1.732 352 1HB SER 43 1HB SER 43 8.732 0.682 0.682 353 2HB SER 43 2HB SER 43 8.160 1.841 1.841 354 HG SER 43 HG SER 43 7.096 2.027 2.027 355 H GLU 44 H GLU 44 10.228 3.616 3.616 356 HA GLU 44 HA GLU 44 11.740 1.704 1.704 357 1HB GLU 44 1HB GLU 44 10.059 3.361 3.361 358 2HB GLU 44 2HB GLU 44 11.164 4.674 4.674 359 1HG GLU 44 1HG GLU 44 11.255 4.162 4.162 360 2HG GLU 44 2HG GLU 44 12.812 3.775 3.775 361 H THR 45 H THR 45 12.834 4.609 4.609 362 HA THR 45 HA THR 45 15.642 4.494 4.494 363 HB THR 45 HB THR 45 14.476 5.803 5.803 364 HG1 THR 45 HG1 THR 45 14.585 7.637 7.637 365 1HG2 THR 45 2HG2 THR 45 17.176 6.349 6.349 366 2HG2 THR 45 3HG2 THR 45 16.472 7.324 7.324 367 3HG2 THR 45 1HG2 THR 45 16.977 5.651 5.651 368 H PHE 46 H PHE 46 13.987 3.071 3.071 369 HA PHE 46 HA PHE 46 16.278 1.668 1.668 370 1HB PHE 46 1HB PHE 46 14.111 2.056 2.056 371 2HB PHE 46 2HB PHE 46 13.263 1.045 1.045 372 HD1 PHE 46 HD2 PHE 46 16.125 0.889 0.889 373 HD2 PHE 46 HD1 PHE 46 12.882 -1.232 -1.232 374 HE1 PHE 46 HE2 PHE 46 16.448 -0.997 -0.997 375 HE2 PHE 46 HE1 PHE 46 13.213 -3.100 -3.100 376 HZ PHE 46 HZ PHE 46 14.991 -2.988 -2.988 377 H GLN 47 H GLN 47 13.916 0.508 0.508 378 HA GLN 47 HA GLN 47 15.252 -2.045 -2.045 379 1HB GLN 47 1HB GLN 47 13.432 -0.280 -0.280 380 2HB GLN 47 2HB GLN 47 14.000 -1.868 -1.868 381 1HG GLN 47 1HG GLN 47 12.832 -2.972 -2.972 382 2HG GLN 47 2HG GLN 47 12.303 -1.433 -1.433 383 1HE2 GLN 47 2HE2 GLN 47 9.580 -1.135 -1.135 384 2HE2 GLN 47 1HE2 GLN 47 10.590 -0.317 -0.317 385 H LYS 48 H LYS 48 15.880 1.229 1.229 386 HA LYS 48 HA LYS 48 17.695 0.454 0.454 387 1HB LYS 48 1HB LYS 48 16.518 2.662 2.662 388 2HB LYS 48 2HB LYS 48 17.559 3.086 3.086 389 1HG LYS 48 1HG LYS 48 19.572 3.017 3.017 390 2HG LYS 48 2HG LYS 48 18.540 2.480 2.480 391 1HD LYS 48 1HD LYS 48 18.922 4.820 4.820 392 2HD LYS 48 2HD LYS 48 17.228 4.631 4.631 393 1HE LYS 48 1HE LYS 48 17.777 5.365 5.365 394 2HE LYS 48 2HE LYS 48 19.482 5.521 5.521 395 1HZ LYS 48 2HZ LYS 48 18.831 7.224 7.224 396 2HZ LYS 48 3HZ LYS 48 17.240 7.071 7.071 397 3HZ LYS 48 1HZ LYS 48 18.331 7.641 7.641 398 H VAL 49 H VAL 49 18.428 1.285 1.285 399 HA VAL 49 HA VAL 49 21.333 0.743 0.743 400 HB VAL 49 HB VAL 49 19.747 0.255 0.255 401 1HG1 VAL 49 3HG1 VAL 49 22.152 -0.400 -0.400 402 2HG1 VAL 49 1HG1 VAL 49 22.655 1.226 1.226 403 3HG1 VAL 49 2HG1 VAL 49 21.856 0.980 0.980 404 1HG2 VAL 49 1HG2 VAL 49 20.751 3.051 3.051 405 2HG2 VAL 49 2HG2 VAL 49 19.056 2.574 2.574 406 3HG2 VAL 49 3HG2 VAL 49 20.147 2.658 2.658 407 H LYS 50 H LYS 50 18.542 -1.357 -1.357 408 HA LYS 50 HA LYS 50 20.165 -3.660 -3.660 409 1HB LYS 50 1HB LYS 50 17.210 -3.445 -3.445 410 2HB LYS 50 2HB LYS 50 17.917 -4.981 -4.981 411 1HG LYS 50 1HG LYS 50 18.296 -4.329 -4.329 412 2HG LYS 50 2HG LYS 50 18.072 -2.624 -2.624 413 1HD LYS 50 1HD LYS 50 16.177 -3.439 -3.439 414 2HD LYS 50 2HD LYS 50 15.650 -2.885 -2.885 415 1HE LYS 50 1HE LYS 50 16.138 -5.882 -5.882 416 2HE LYS 50 2HE LYS 50 14.615 -5.073 -5.073 417 1HZ LYS 50 2HZ LYS 50 14.358 -4.542 -4.542 418 2HZ LYS 50 3HZ LYS 50 15.781 -5.295 -5.295 419 3HZ LYS 50 1HZ LYS 50 14.512 -6.171 -6.171 420 H GLU 51 H GLU 51 18.571 -2.840 -2.840 421 HA GLU 51 HA GLU 51 19.685 -4.982 -4.982 422 1HB GLU 51 1HB GLU 51 18.859 -2.084 -2.084 423 2HB GLU 51 2HB GLU 51 19.337 -3.250 -3.250 424 1HG GLU 51 1HG GLU 51 17.431 -4.727 -4.727 425 2HG GLU 51 2HG GLU 51 16.953 -3.784 -3.784 426 H LYS 52 H LYS 52 21.141 -1.979 -1.979 427 HA LYS 52 HA LYS 52 23.705 -2.555 -2.555 428 1HB LYS 52 1HB LYS 52 22.717 0.217 0.217 429 2HB LYS 52 2HB LYS 52 24.209 -0.122 -0.122 430 1HG LYS 52 1HG LYS 52 21.379 -0.444 -0.444 431 2HG LYS 52 2HG LYS 52 22.499 0.849 0.849 432 1HD LYS 52 1HD LYS 52 22.865 -2.110 -2.110 433 2HD LYS 52 2HD LYS 52 22.320 -0.843 -0.843 434 1HE LYS 52 1HE LYS 52 25.136 -0.962 -0.962 435 2HE LYS 52 2HE LYS 52 24.732 -1.502 -1.502 436 1HZ LYS 52 3HZ LYS 52 24.087 0.777 0.777 437 2HZ LYS 52 1HZ LYS 52 24.460 1.304 1.304 438 3HZ LYS 52 2HZ LYS 52 25.650 0.723 0.723 439 H LEU 53 H LEU 53 23.160 -3.780 -3.780 440 HA LEU 53 HA LEU 53 24.468 -2.470 -2.470 441 1HB LEU 53 1HB LEU 53 23.992 -4.209 -4.209 442 2HB LEU 53 2HB LEU 53 22.722 -4.292 -4.292 443 HG LEU 53 HG LEU 53 25.251 -5.986 -5.986 444 1HD1 LEU 53 2HD2 LEU 53 23.775 -6.490 -6.490 445 2HD1 LEU 53 3HD2 LEU 53 22.398 -6.802 -6.802 446 3HD1 LEU 53 1HD2 LEU 53 23.818 -7.878 -7.878 447 1HD2 LEU 53 2HD1 LEU 53 24.384 -5.950 -5.950 448 2HD2 LEU 53 3HD1 LEU 53 24.149 -7.558 -7.558 449 3HD2 LEU 53 1HD1 LEU 53 22.767 -6.445 -6.445 450 H LYS 54 H LYS 54 26.362 -3.321 -3.321 451 HA LYS 54 HA LYS 54 28.803 -3.430 -3.430 452 1HB LYS 54 1HB LYS 54 28.602 -1.853 -1.853 453 2HB LYS 54 2HB LYS 54 28.620 -3.198 -3.198 454 1HG LYS 54 1HG LYS 54 30.893 -2.589 -2.589 455 2HG LYS 54 2HG LYS 54 30.790 -1.858 -1.858 456 1HD LYS 54 1HD LYS 54 30.882 -4.157 -4.157 457 2HD LYS 54 2HD LYS 54 31.101 -4.879 -4.879 458 1HE LYS 54 1HE LYS 54 33.225 -3.560 -3.560 459 2HE LYS 54 2HE LYS 54 33.017 -2.796 -2.796 460 1HZ LYS 54 2HZ LYS 54 33.353 -5.722 -5.722 461 2HZ LYS 54 3HZ LYS 54 34.508 -4.690 -4.690 462 3HZ LYS 54 1HZ LYS 54 33.159 -5.007 -5.007 463 H ILE 55 H ILE 55 29.323 -5.366 -5.366 464 HA ILE 55 HA ILE 55 29.495 -7.742 -7.742 465 HB ILE 55 HB ILE 55 28.695 -9.250 -9.250 466 1HG1 ILE 55 1HG1 ILE 55 26.639 -8.478 -8.478 467 2HG1 ILE 55 2HG1 ILE 55 26.836 -6.849 -6.849 468 1HG2 ILE 55 2HG2 ILE 55 27.751 -9.270 -9.270 469 2HG2 ILE 55 3HG2 ILE 55 26.702 -7.886 -7.886 470 3HG2 ILE 55 1HG2 ILE 55 26.473 -9.447 -9.447 471 1HD1 ILE 55 3HD1 ILE 55 28.805 -8.232 -8.232 472 2HD1 ILE 55 1HD1 ILE 55 27.549 -7.046 -7.046 473 3HD1 ILE 55 2HD1 ILE 55 28.912 -6.542 -6.542 474 H ASP 56 H ASP 56 31.594 -7.402 -7.402 475 HA ASP 56 HA ASP 56 33.282 -8.402 -8.402 476 1HB ASP 56 1HB ASP 56 33.175 -5.891 -5.891 477 2HB ASP 56 2HB ASP 56 33.902 -5.659 -5.659 478 H SER 57 H SER 57 34.676 -6.808 -6.808 479 HA SER 57 HA SER 57 35.728 -7.586 -7.586 480 1HB SER 57 1HB SER 57 34.135 -10.200 -10.200 481 2HB SER 57 2HB SER 57 35.133 -9.672 -9.672 482 HG SER 57 HG SER 57 32.957 -9.136 -9.136 Start of MODEL 7 1 1H THR 1 3H THR 1 -30.128 -19.893 -19.893 2 2H THR 1 1H THR 1 -31.027 -18.952 -18.952 3 3H THR 1 2H THR 1 -31.414 -20.543 -20.543 4 HA THR 1 HA THR 1 -31.939 -20.231 -20.231 5 HB THR 1 HB THR 1 -33.382 -18.405 -18.405 6 HG1 THR 1 HG1 THR 1 -34.817 -20.134 -20.134 7 1HG2 THR 1 3HG2 THR 1 -34.659 -19.146 -19.146 8 2HG2 THR 1 1HG2 THR 1 -35.470 -18.393 -18.393 9 3HG2 THR 1 2HG2 THR 1 -34.214 -17.504 -17.504 10 HA PRO 2 HA PRO 2 -29.828 -16.382 -16.382 11 1HB PRO 2 1HB PRO 2 -30.307 -16.593 -16.593 12 2HB PRO 2 2HB PRO 2 -29.228 -17.732 -17.732 13 1HG PRO 2 1HG PRO 2 -32.157 -18.161 -18.161 14 2HG PRO 2 2HG PRO 2 -30.783 -19.260 -19.260 15 1HD PRO 2 1HD PRO 2 -32.506 -19.503 -19.503 16 2HD PRO 2 2HD PRO 2 -30.769 -19.947 -19.947 17 H ASP 3 H ASP 3 -30.798 -14.630 -14.630 18 HA ASP 3 HA ASP 3 -33.000 -13.299 -13.299 19 1HB ASP 3 1HB ASP 3 -34.603 -13.043 -13.043 20 2HB ASP 3 2HB ASP 3 -34.384 -14.732 -14.732 21 H VAL 4 H VAL 4 -33.286 -11.198 -11.198 22 HA VAL 4 HA VAL 4 -30.851 -9.790 -9.790 23 HB VAL 4 HB VAL 4 -33.268 -8.396 -8.396 24 1HG1 VAL 4 3HG1 VAL 4 -31.634 -6.845 -6.845 25 2HG1 VAL 4 1HG1 VAL 4 -30.308 -7.570 -7.570 26 3HG1 VAL 4 2HG1 VAL 4 -31.609 -6.668 -6.668 27 1HG2 VAL 4 1HG2 VAL 4 -30.866 -9.559 -9.559 28 2HG2 VAL 4 2HG2 VAL 4 -32.557 -10.099 -10.099 29 3HG2 VAL 4 3HG2 VAL 4 -32.114 -8.476 -8.476 30 H SER 5 H SER 5 -31.105 -7.947 -7.947 31 HA SER 5 HA SER 5 -33.516 -7.539 -7.539 32 1HB SER 5 1HB SER 5 -31.209 -8.886 -8.886 33 2HB SER 5 2HB SER 5 -32.582 -8.052 -8.052 34 HG SER 5 HG SER 5 -32.732 -10.273 -10.273 35 H SER 6 H SER 6 -32.870 -5.707 -5.707 36 HA SER 6 HA SER 6 -31.741 -3.808 -3.808 37 1HB SER 6 1HB SER 6 -31.387 -3.307 -3.307 38 2HB SER 6 2HB SER 6 -31.178 -2.102 -2.102 39 HG SER 6 HG SER 6 -33.241 -2.062 -2.062 40 H ALA 7 H ALA 7 -30.134 -5.922 -5.922 41 HA ALA 7 HA ALA 7 -27.303 -5.074 -5.074 42 1HB ALA 7 1HB ALA 7 -27.810 -7.495 -7.495 43 2HB ALA 7 2HB ALA 7 -28.238 -7.503 -7.503 44 3HB ALA 7 3HB ALA 7 -26.574 -7.136 -7.136 45 H LEU 8 H LEU 8 -29.149 -5.676 -5.676 46 HA LEU 8 HA LEU 8 -27.357 -4.061 -4.061 47 1HB LEU 8 1HB LEU 8 -28.827 -5.887 -5.887 48 2HB LEU 8 2HB LEU 8 -30.250 -4.940 -4.940 49 HG LEU 8 HG LEU 8 -29.547 -3.186 -3.186 50 1HD1 LEU 8 3HD1 LEU 8 -27.265 -5.139 -5.139 51 2HD1 LEU 8 1HD1 LEU 8 -27.749 -3.703 -3.703 52 3HD1 LEU 8 2HD1 LEU 8 -27.070 -3.505 -3.505 53 1HD2 LEU 8 3HD2 LEU 8 -31.134 -5.003 -5.003 54 2HD2 LEU 8 1HD2 LEU 8 -30.127 -4.525 -4.525 55 3HD2 LEU 8 2HD2 LEU 8 -29.779 -6.041 -6.041 56 H ASP 9 H ASP 9 -30.350 -3.238 -3.238 57 HA ASP 9 HA ASP 9 -30.731 -0.545 -0.545 58 1HB ASP 9 1HB ASP 9 -32.415 -1.926 -1.926 59 2HB ASP 9 2HB ASP 9 -31.513 -1.539 -1.539 60 H LYS 10 H LYS 10 -28.979 -1.497 -1.497 61 HA LYS 10 HA LYS 10 -27.884 1.168 1.168 62 1HB LYS 10 1HB LYS 10 -26.903 -1.624 -1.624 63 2HB LYS 10 2HB LYS 10 -26.151 -0.137 -0.137 64 1HG LYS 10 1HG LYS 10 -28.291 0.649 0.649 65 2HG LYS 10 2HG LYS 10 -29.098 -0.830 -0.830 66 1HD LYS 10 1HD LYS 10 -27.405 -2.190 -2.190 67 2HD LYS 10 2HD LYS 10 -26.681 -0.703 -0.703 68 1HE LYS 10 1HE LYS 10 -29.633 -1.538 -1.538 69 2HE LYS 10 2HE LYS 10 -28.318 -1.832 -1.832 70 1HZ LYS 10 3HZ LYS 10 -27.988 0.573 0.573 71 2HZ LYS 10 1HZ LYS 10 -29.219 0.869 0.869 72 3HZ LYS 10 2HZ LYS 10 -29.538 0.159 0.159 73 H LEU 11 H LEU 11 -26.528 -1.516 -1.516 74 HA LEU 11 HA LEU 11 -24.001 -0.245 -0.245 75 1HB LEU 11 1HB LEU 11 -24.570 -2.656 -2.656 76 2HB LEU 11 2HB LEU 11 -25.652 -2.306 -2.306 77 HG LEU 11 HG LEU 11 -23.420 -3.341 -3.341 78 1HD1 LEU 11 3HD2 LEU 11 -24.783 -2.297 -2.297 79 2HD1 LEU 11 1HD2 LEU 11 -23.869 -0.781 -0.781 80 3HD1 LEU 11 2HD2 LEU 11 -23.041 -2.265 -2.265 81 1HD2 LEU 11 2HD1 LEU 11 -21.942 -2.002 -2.002 82 2HD2 LEU 11 3HD1 LEU 11 -21.345 -2.031 -2.031 83 3HD2 LEU 11 1HD1 LEU 11 -22.152 -0.576 -0.576 84 H LYS 12 H LYS 12 -27.210 0.472 0.472 85 HA LYS 12 HA LYS 12 -26.292 1.738 1.738 86 1HB LYS 12 1HB LYS 12 -28.836 2.550 2.550 87 2HB LYS 12 2HB LYS 12 -28.459 2.905 2.905 88 1HG LYS 12 1HG LYS 12 -29.236 0.225 0.225 89 2HG LYS 12 2HG LYS 12 -30.124 1.171 1.171 90 1HD LYS 12 1HD LYS 12 -27.500 -0.348 -0.348 91 2HD LYS 12 2HD LYS 12 -29.098 -0.884 -0.884 92 1HE LYS 12 1HE LYS 12 -27.725 1.652 1.652 93 2HE LYS 12 2HE LYS 12 -27.749 0.075 0.075 94 1HZ LYS 12 3HZ LYS 12 -30.178 0.210 0.210 95 2HZ LYS 12 1HZ LYS 12 -30.175 1.690 1.690 96 3HZ LYS 12 2HZ LYS 12 -29.476 1.504 1.504 97 H GLU 13 H GLU 13 -27.104 3.434 3.434 98 HA GLU 13 HA GLU 13 -26.284 5.999 5.999 99 1HB GLU 13 1HB GLU 13 -26.944 7.141 7.141 100 2HB GLU 13 2HB GLU 13 -28.131 5.904 5.904 101 1HG GLU 13 1HG GLU 13 -26.009 5.928 5.928 102 2HG GLU 13 2HG GLU 13 -27.699 6.340 6.340 103 H PHE 14 H PHE 14 -24.625 4.121 4.121 104 HA PHE 14 HA PHE 14 -22.237 5.878 5.878 105 1HB PHE 14 1HB PHE 14 -21.060 4.468 4.468 106 2HB PHE 14 2HB PHE 14 -22.577 5.064 5.064 107 HD1 PHE 14 HD2 PHE 14 -21.137 1.911 1.911 108 HD2 PHE 14 HD1 PHE 14 -23.921 3.563 3.563 109 HE1 PHE 14 HE2 PHE 14 -21.690 -0.352 -0.352 110 HE2 PHE 14 HE1 PHE 14 -24.421 1.298 1.298 111 HZ PHE 14 HZ PHE 14 -23.327 -0.667 -0.667 112 H GLY 15 H GLY 15 -23.135 3.059 3.059 113 1HA GLY 15 1HA GLY 15 -20.489 2.427 2.427 114 2HA GLY 15 2HA GLY 15 -22.027 2.039 2.039 115 H ASN 16 H ASN 16 -23.262 4.376 4.376 116 HA ASN 16 HA ASN 16 -21.897 5.744 5.744 117 1HB ASN 16 1HB ASN 16 -24.436 5.570 5.570 118 2HB ASN 16 2HB ASN 16 -24.270 6.772 6.772 119 1HD2 ASN 16 1HD2 ASN 16 -24.452 9.411 9.411 120 2HD2 ASN 16 2HD2 ASN 16 -24.463 8.889 8.889 121 H THR 17 H THR 17 -21.959 6.594 6.594 122 HA THR 17 HA THR 17 -20.606 9.198 9.198 123 HB THR 17 HB THR 17 -20.577 7.150 7.150 124 HG1 THR 17 HG1 THR 17 -22.184 8.510 8.510 125 1HG2 THR 17 2HG2 THR 17 -19.892 10.150 10.150 126 2HG2 THR 17 3HG2 THR 17 -20.114 9.064 9.064 127 3HG2 THR 17 1HG2 THR 17 -18.761 8.797 8.797 128 H LEU 18 H LEU 18 -19.242 5.915 5.915 129 HA LEU 18 HA LEU 18 -16.500 6.883 6.883 130 1HB LEU 18 1HB LEU 18 -15.558 4.815 4.815 131 2HB LEU 18 2HB LEU 18 -16.691 5.307 5.307 132 HG LEU 18 HG LEU 18 -18.397 3.607 3.607 133 1HD1 LEU 18 1HD2 LEU 18 -15.750 2.568 2.568 134 2HD1 LEU 18 2HD2 LEU 18 -17.267 1.638 1.638 135 3HD1 LEU 18 3HD2 LEU 18 -17.193 3.096 3.096 136 1HD2 LEU 18 2HD1 LEU 18 -17.356 3.286 3.286 137 2HD2 LEU 18 3HD1 LEU 18 -17.462 1.744 1.744 138 3HD2 LEU 18 1HD1 LEU 18 -15.897 2.591 2.591 139 H GLU 19 H GLU 19 -18.759 6.566 6.566 140 HA GLU 19 HA GLU 19 -17.105 5.556 5.556 141 1HB GLU 19 1HB GLU 19 -19.905 6.736 6.736 142 2HB GLU 19 2HB GLU 19 -19.023 6.443 6.443 143 1HG GLU 19 1HG GLU 19 -19.833 4.256 4.256 144 2HG GLU 19 2HG GLU 19 -20.680 4.655 4.655 145 H ASP 20 H ASP 20 -18.723 8.666 8.666 146 HA ASP 20 HA ASP 20 -16.998 10.362 10.362 147 1HB ASP 20 1HB ASP 20 -17.898 12.278 12.278 148 2HB ASP 20 2HB ASP 20 -19.149 11.148 11.148 149 H LYS 21 H LYS 21 -16.621 9.512 9.512 150 HA LYS 21 HA LYS 21 -14.134 10.999 10.999 151 1HB LYS 21 1HB LYS 21 -15.255 8.526 8.526 152 2HB LYS 21 2HB LYS 21 -13.776 9.271 9.271 153 1HG LYS 21 1HG LYS 21 -14.987 11.470 11.470 154 2HG LYS 21 2HG LYS 21 -16.488 10.726 10.726 155 1HD LYS 21 1HD LYS 21 -16.572 10.695 10.695 156 2HD LYS 21 2HD LYS 21 -16.315 9.024 9.024 157 1HE LYS 21 1HE LYS 21 -13.830 9.255 9.255 158 2HE LYS 21 2HE LYS 21 -14.095 10.944 10.944 159 1HZ LYS 21 2HZ LYS 21 -15.629 10.172 10.172 160 2HZ LYS 21 3HZ LYS 21 -15.382 8.595 8.595 161 3HZ LYS 21 1HZ LYS 21 -14.136 9.489 9.489 162 H ALA 22 H ALA 22 -14.516 7.665 7.665 163 HA ALA 22 HA ALA 22 -11.610 7.091 7.091 164 1HB ALA 22 2HB ALA 22 -13.235 5.242 5.242 165 2HB ALA 22 3HB ALA 22 -13.841 5.773 5.773 166 3HB ALA 22 1HB ALA 22 -12.169 5.176 5.176 167 H ARG 23 H ARG 23 -13.773 8.178 8.178 168 HA ARG 23 HA ARG 23 -11.583 8.542 8.542 169 1HB ARG 23 1HB ARG 23 -14.420 9.746 9.746 170 2HB ARG 23 2HB ARG 23 -13.252 10.130 10.130 171 1HG ARG 23 1HG ARG 23 -14.523 8.484 8.484 172 2HG ARG 23 2HG ARG 23 -13.022 7.669 7.669 173 1HD ARG 23 1HD ARG 23 -14.190 6.656 6.656 174 2HD ARG 23 2HD ARG 23 -15.686 7.476 7.476 175 HE ARG 23 HE ARG 23 -15.082 6.012 6.012 176 1HH1 ARG 23 1HH1 ARG 23 -15.328 5.055 5.055 177 2HH1 ARG 23 2HH1 ARG 23 -15.894 3.381 3.381 178 1HH2 ARG 23 1HH2 ARG 23 -15.739 4.075 4.075 179 2HH2 ARG 23 2HH2 ARG 23 -16.110 2.867 2.867 180 H GLU 24 H GLU 24 -12.923 10.817 10.817 181 HA GLU 24 HA GLU 24 -11.152 13.066 13.066 182 1HB GLU 24 1HB GLU 24 -13.255 13.339 13.339 183 2HB GLU 24 2HB GLU 24 -12.537 12.434 12.434 184 1HG GLU 24 1HG GLU 24 -12.448 14.805 14.805 185 2HG GLU 24 2HG GLU 24 -10.805 14.225 14.225 186 H LEU 25 H LEU 25 -10.739 10.379 10.379 187 HA LEU 25 HA LEU 25 -7.899 11.358 11.358 188 1HB LEU 25 1HB LEU 25 -9.567 9.391 9.391 189 2HB LEU 25 2HB LEU 25 -7.878 9.702 9.702 190 HG LEU 25 HG LEU 25 -8.949 10.877 10.877 191 1HD1 LEU 25 2HD1 LEU 25 -7.040 12.142 12.142 192 2HD1 LEU 25 3HD1 LEU 25 -8.197 13.082 13.082 193 3HD1 LEU 25 1HD1 LEU 25 -8.219 13.205 13.205 194 1HD2 LEU 25 3HD2 LEU 25 -11.262 11.030 11.030 195 2HD2 LEU 25 1HD2 LEU 25 -10.711 12.590 12.590 196 3HD2 LEU 25 2HD2 LEU 25 -10.811 12.331 12.331 197 H ILE 26 H ILE 26 -8.472 10.028 10.028 198 HA ILE 26 HA ILE 26 -5.887 8.457 8.457 199 HB ILE 26 HB ILE 26 -7.969 8.043 8.043 200 1HG1 ILE 26 1HG1 ILE 26 -6.946 6.284 6.284 201 2HG1 ILE 26 2HG1 ILE 26 -8.543 6.935 6.935 202 1HG2 ILE 26 2HG2 ILE 26 -5.637 7.929 7.929 203 2HG2 ILE 26 3HG2 ILE 26 -5.162 6.754 6.754 204 3HG2 ILE 26 1HG2 ILE 26 -6.381 6.334 6.334 205 1HD1 ILE 26 2HD1 ILE 26 -8.986 5.529 5.529 206 2HD1 ILE 26 3HD1 ILE 26 -7.407 4.727 4.727 207 3HD1 ILE 26 1HD1 ILE 26 -8.687 4.603 4.603 208 H SER 27 H SER 27 -7.679 10.708 10.708 209 HA SER 27 HA SER 27 -5.098 11.973 11.973 210 1HB SER 27 1HB SER 27 -6.991 11.759 11.759 211 2HB SER 27 2HB SER 27 -8.012 12.781 12.781 212 HG SER 27 HG SER 27 -6.969 13.920 13.920 213 H ARG 28 H ARG 28 -4.268 12.607 12.607 214 HA ARG 28 HA ARG 28 -4.394 14.829 14.829 215 1HB ARG 28 1HB ARG 28 -6.674 12.970 12.970 216 2HB ARG 28 2HB ARG 28 -5.709 13.533 13.533 217 1HG ARG 28 1HG ARG 28 -6.871 15.566 15.566 218 2HG ARG 28 2HG ARG 28 -7.847 14.888 14.888 219 1HD ARG 28 1HD ARG 28 -5.161 16.349 16.349 220 2HD ARG 28 2HD ARG 28 -6.734 17.152 17.152 221 HE ARG 28 HE ARG 28 -7.056 15.039 15.039 222 1HH1 ARG 28 1HH1 ARG 28 -4.868 17.827 17.827 223 2HH1 ARG 28 2HH1 ARG 28 -4.738 17.929 17.929 224 1HH2 ARG 28 1HH2 ARG 28 -6.837 15.248 15.248 225 2HH2 ARG 28 2HH2 ARG 28 -5.780 16.565 16.565 226 H ILE 29 H ILE 29 -4.721 11.268 11.268 227 HA ILE 29 HA ILE 29 -2.274 11.183 11.183 228 HB ILE 29 HB ILE 29 -4.250 9.064 9.064 229 1HG1 ILE 29 1HG1 ILE 29 -3.579 10.355 10.355 230 2HG1 ILE 29 2HG1 ILE 29 -5.027 10.617 10.617 231 1HG2 ILE 29 2HG2 ILE 29 -2.063 7.878 7.878 232 2HG2 ILE 29 3HG2 ILE 29 -1.769 8.505 8.505 233 3HG2 ILE 29 1HG2 ILE 29 -3.110 7.370 7.370 234 1HD1 ILE 29 2HD1 ILE 29 -5.665 8.142 8.142 235 2HD1 ILE 29 3HD1 ILE 29 -4.301 8.055 8.055 236 3HD1 ILE 29 1HD1 ILE 29 -5.630 9.187 9.187 237 H LYS 30 H LYS 30 -2.759 8.985 8.985 238 HA LYS 30 HA LYS 30 -1.300 8.257 8.257 239 1HB LYS 30 1HB LYS 30 -0.296 11.141 11.141 240 2HB LYS 30 2HB LYS 30 -0.027 9.875 9.875 241 1HG LYS 30 1HG LYS 30 -2.710 11.183 11.183 242 2HG LYS 30 2HG LYS 30 -1.766 11.446 11.446 243 1HD LYS 30 1HD LYS 30 -3.170 8.809 8.809 244 2HD LYS 30 2HD LYS 30 -3.783 9.991 9.991 245 1HE LYS 30 1HE LYS 30 -1.177 8.367 8.367 246 2HE LYS 30 2HE LYS 30 -2.748 7.959 7.959 247 1HZ LYS 30 1HZ LYS 30 -2.725 10.057 10.057 248 2HZ LYS 30 2HZ LYS 30 -1.250 10.459 10.459 249 3HZ LYS 30 3HZ LYS 30 -1.397 9.145 9.145 250 H GLN 31 H GLN 31 -0.397 7.153 7.153 251 HA GLN 31 HA GLN 31 1.269 6.433 6.433 252 1HB GLN 31 1HB GLN 31 2.029 5.772 5.772 253 2HB GLN 31 2HB GLN 31 3.262 7.005 7.005 254 1HG GLN 31 1HG GLN 31 3.927 5.745 5.745 255 2HG GLN 31 2HG GLN 31 2.809 4.480 4.480 256 1HE2 GLN 31 2HE2 GLN 31 5.073 3.105 3.105 257 2HE2 GLN 31 1HE2 GLN 31 3.394 3.083 3.083 258 H SER 32 H SER 32 0.630 8.854 8.854 259 HA SER 32 HA SER 32 3.006 9.996 9.996 260 1HB SER 32 1HB SER 32 3.241 10.969 10.969 261 2HB SER 32 2HB SER 32 1.681 11.763 11.763 262 HG SER 32 HG SER 32 3.957 12.089 12.089 263 H GLU 33 H GLU 33 2.426 11.567 11.567 264 HA GLU 33 HA GLU 33 1.281 12.362 12.362 265 1HB GLU 33 1HB GLU 33 -0.694 13.669 13.669 266 2HB GLU 33 2HB GLU 33 0.294 14.013 14.013 267 1HG GLU 33 1HG GLU 33 -1.252 12.845 12.845 268 2HG GLU 33 2HG GLU 33 -2.145 12.127 12.127 269 H LEU 34 H LEU 34 -0.357 9.762 9.762 270 HA LEU 34 HA LEU 34 -1.209 8.737 8.737 271 1HB LEU 34 1HB LEU 34 -2.608 8.008 8.008 272 2HB LEU 34 2HB LEU 34 -1.258 7.412 7.412 273 HG LEU 34 HG LEU 34 -2.786 5.725 5.725 274 1HD1 LEU 34 2HD1 LEU 34 -0.516 5.066 5.066 275 2HD1 LEU 34 3HD1 LEU 34 0.149 5.285 5.285 276 3HD1 LEU 34 1HD1 LEU 34 -1.090 4.050 4.050 277 1HD2 LEU 34 3HD2 LEU 34 -3.112 6.766 6.766 278 2HD2 LEU 34 1HD2 LEU 34 -2.584 5.072 5.072 279 3HD2 LEU 34 2HD2 LEU 34 -1.426 6.383 6.383 280 H SER 35 H SER 35 1.280 8.462 8.462 281 HA SER 35 HA SER 35 3.295 7.485 7.485 282 1HB SER 35 1HB SER 35 3.179 5.922 5.922 283 2HB SER 35 2HB SER 35 3.457 7.253 7.253 284 HG SER 35 HG SER 35 5.185 6.422 6.422 285 H ALA 36 H ALA 36 4.718 9.044 9.044 286 HA ALA 36 HA ALA 36 6.334 10.846 10.846 287 1HB ALA 36 2HB ALA 36 4.371 12.280 12.280 288 2HB ALA 36 3HB ALA 36 4.139 12.428 12.428 289 3HB ALA 36 1HB ALA 36 5.619 13.059 13.059 290 H LYS 37 H LYS 37 4.834 10.273 10.273 291 HA LYS 37 HA LYS 37 7.311 11.026 11.026 292 1HB LYS 37 1HB LYS 37 4.647 9.883 9.883 293 2HB LYS 37 2HB LYS 37 6.040 10.321 10.321 294 1HG LYS 37 1HG LYS 37 4.750 12.175 12.175 295 2HG LYS 37 2HG LYS 37 5.803 12.750 12.750 296 1HD LYS 37 1HD LYS 37 3.905 12.267 12.267 297 2HD LYS 37 2HD LYS 37 2.928 11.666 11.666 298 1HE LYS 37 1HE LYS 37 2.164 13.891 13.891 299 2HE LYS 37 2HE LYS 37 3.018 13.980 13.980 300 1HZ LYS 37 3HZ LYS 37 4.140 14.776 14.776 301 2HZ LYS 37 1HZ LYS 37 3.623 15.807 15.807 302 3HZ LYS 37 2HZ LYS 37 4.959 14.868 14.868 303 H MET 38 H MET 38 5.362 8.042 8.042 304 HA MET 38 HA MET 38 7.343 6.128 6.128 305 1HB MET 38 1HB MET 38 5.267 5.721 5.721 306 2HB MET 38 2HB MET 38 6.228 4.458 4.458 307 1HG MET 38 1HG MET 38 4.059 6.110 6.110 308 2HG MET 38 2HG MET 38 3.974 4.418 4.418 309 1HE MET 38 1HE MET 38 5.459 2.460 2.460 310 2HE MET 38 3HE MET 38 7.050 3.270 3.270 311 3HE MET 38 2HE MET 38 6.495 2.701 2.701 312 H ARG 39 H ARG 39 7.045 7.696 7.696 313 HA ARG 39 HA ARG 39 9.546 6.179 6.179 314 1HB ARG 39 1HB ARG 39 7.462 7.812 7.812 315 2HB ARG 39 2HB ARG 39 8.993 7.299 7.299 316 1HG ARG 39 1HG ARG 39 8.503 4.921 4.921 317 2HG ARG 39 2HG ARG 39 7.061 5.275 5.275 318 1HD ARG 39 1HD ARG 39 6.018 6.380 6.380 319 2HD ARG 39 2HD ARG 39 7.427 5.936 5.936 320 HE ARG 39 HE ARG 39 5.318 4.009 4.009 321 1HH1 ARG 39 1HH1 ARG 39 8.395 4.267 4.267 322 2HH1 ARG 39 2HH1 ARG 39 8.222 2.526 2.526 323 1HH2 ARG 39 1HH2 ARG 39 5.217 2.074 2.074 324 2HH2 ARG 39 2HH2 ARG 39 6.544 1.371 1.371 325 H GLU 40 H GLU 40 10.995 7.117 7.117 326 HA GLU 40 HA GLU 40 12.414 9.521 9.521 327 1HB GLU 40 1HB GLU 40 10.428 10.939 10.939 328 2HB GLU 40 2HB GLU 40 9.807 10.009 10.009 329 1HG GLU 40 1HG GLU 40 11.792 10.841 10.841 330 2HG GLU 40 2HG GLU 40 12.342 11.778 11.778 331 H TRP 41 H TRP 41 10.281 7.956 7.956 332 HA TRP 41 HA TRP 41 12.350 7.141 7.141 333 1HB TRP 41 1HB TRP 41 9.915 7.365 7.365 334 2HB TRP 41 2HB TRP 41 9.536 6.009 6.009 335 HD1 TRP 41 HD1 TRP 41 10.732 6.866 6.866 336 HE1 TRP 41 HE1 TRP 41 10.814 4.721 4.721 337 HE3 TRP 41 HE3 TRP 41 10.252 3.452 3.452 338 HZ2 TRP 41 HZ2 TRP 41 10.616 1.918 1.918 339 HZ3 TRP 41 HZ3 TRP 41 10.178 1.038 1.038 340 HH2 TRP 41 HH2 TRP 41 10.359 0.290 0.290 341 H PHE 42 H PHE 42 11.175 5.488 5.488 342 HA PHE 42 HA PHE 42 12.373 2.830 2.830 343 1HB PHE 42 1HB PHE 42 11.501 3.865 3.865 344 2HB PHE 42 2HB PHE 42 12.093 2.254 2.254 345 HD1 PHE 42 HD1 PHE 42 10.743 1.033 1.033 346 HD2 PHE 42 HD2 PHE 42 9.162 3.800 3.800 347 HE1 PHE 42 HE1 PHE 42 8.477 0.191 0.191 348 HE2 PHE 42 HE2 PHE 42 6.909 2.938 2.938 349 HZ PHE 42 HZ PHE 42 6.553 1.139 1.139 350 H SER 43 H SER 43 13.445 5.636 5.636 351 HA SER 43 HA SER 43 16.214 4.431 4.431 352 1HB SER 43 1HB SER 43 15.189 5.425 5.425 353 2HB SER 43 2HB SER 43 15.070 6.998 6.998 354 HG SER 43 HG SER 43 17.438 5.486 5.486 355 H GLU 44 H GLU 44 16.376 4.479 4.479 356 HA GLU 44 HA GLU 44 17.808 6.532 6.532 357 1HB GLU 44 1HB GLU 44 15.899 8.010 8.010 358 2HB GLU 44 2HB GLU 44 14.772 6.776 6.776 359 1HG GLU 44 1HG GLU 44 17.012 7.779 7.779 360 2HG GLU 44 2HG GLU 44 15.500 8.648 8.648 361 H THR 45 H THR 45 15.037 4.363 4.363 362 HA THR 45 HA THR 45 16.406 2.812 2.812 363 HB THR 45 HB THR 45 13.870 2.223 2.223 364 HG1 THR 45 HG1 THR 45 13.875 4.087 4.087 365 1HG2 THR 45 1HG2 THR 45 14.833 0.895 0.895 366 2HG2 THR 45 2HG2 THR 45 13.219 0.710 0.710 367 3HG2 THR 45 3HG2 THR 45 14.647 0.089 0.089 368 H PHE 46 H PHE 46 15.671 2.044 2.044 369 HA PHE 46 HA PHE 46 17.598 -0.304 -0.304 370 1HB PHE 46 1HB PHE 46 15.280 -0.692 -0.692 371 2HB PHE 46 2HB PHE 46 15.579 0.366 0.366 372 HD1 PHE 46 HD2 PHE 46 17.180 -2.648 -2.648 373 HD2 PHE 46 HD1 PHE 46 16.056 -0.826 -0.826 374 HE1 PHE 46 HE2 PHE 46 17.855 -4.680 -4.680 375 HE2 PHE 46 HE1 PHE 46 16.706 -2.883 -2.883 376 HZ PHE 46 HZ PHE 46 17.594 -4.812 -4.812 377 H GLN 47 H GLN 47 19.250 0.203 0.203 378 HA GLN 47 HA GLN 47 21.198 1.229 1.229 379 1HB GLN 47 1HB GLN 47 21.521 3.491 3.491 380 2HB GLN 47 2HB GLN 47 20.005 3.014 3.014 381 1HG GLN 47 1HG GLN 47 19.269 4.992 4.992 382 2HG GLN 47 2HG GLN 47 18.947 4.014 4.014 383 1HE2 GLN 47 2HE2 GLN 47 21.969 6.841 6.841 384 2HE2 GLN 47 1HE2 GLN 47 21.321 6.246 6.246 385 H LYS 48 H LYS 48 19.665 2.390 2.390 386 HA LYS 48 HA LYS 48 22.186 2.296 2.296 387 1HB LYS 48 1HB LYS 48 20.267 3.676 3.676 388 2HB LYS 48 2HB LYS 48 19.257 2.285 2.285 389 1HG LYS 48 1HG LYS 48 21.887 2.811 2.811 390 2HG LYS 48 2HG LYS 48 20.373 3.540 3.540 391 1HD LYS 48 1HD LYS 48 20.958 0.511 0.511 392 2HD LYS 48 2HD LYS 48 20.989 1.605 1.605 393 1HE LYS 48 1HE LYS 48 18.845 0.675 0.675 394 2HE LYS 48 2HE LYS 48 18.407 2.137 2.137 395 1HZ LYS 48 1HZ LYS 48 18.739 -0.566 -0.566 396 2HZ LYS 48 2HZ LYS 48 17.307 0.194 0.194 397 3HZ LYS 48 3HZ LYS 48 18.323 0.798 0.798 398 H VAL 49 H VAL 49 19.668 -0.116 -0.116 399 HA VAL 49 HA VAL 49 20.891 -2.400 -2.400 400 HB VAL 49 HB VAL 49 19.357 -2.576 -2.576 401 1HG1 VAL 49 3HG1 VAL 49 20.538 -4.701 -4.701 402 2HG1 VAL 49 1HG1 VAL 49 19.801 -4.741 -4.741 403 3HG1 VAL 49 2HG1 VAL 49 18.792 -4.913 -4.913 404 1HG2 VAL 49 1HG2 VAL 49 18.178 -2.738 -2.738 405 2HG2 VAL 49 2HG2 VAL 49 17.836 -1.469 -1.469 406 3HG2 VAL 49 3HG2 VAL 49 17.284 -3.118 -3.118 407 H LYS 50 H LYS 50 21.285 -1.191 -1.191 408 HA LYS 50 HA LYS 50 23.006 -3.247 -3.247 409 1HB LYS 50 1HB LYS 50 22.960 -0.360 -0.360 410 2HB LYS 50 2HB LYS 50 23.781 -1.679 -1.679 411 1HG LYS 50 1HG LYS 50 21.671 -2.890 -2.890 412 2HG LYS 50 2HG LYS 50 20.762 -1.715 -1.715 413 1HD LYS 50 1HD LYS 50 21.492 0.123 0.123 414 2HD LYS 50 2HD LYS 50 22.325 -1.062 -1.062 415 1HE LYS 50 1HE LYS 50 19.285 -1.128 -1.128 416 2HE LYS 50 2HE LYS 50 19.993 -0.313 -0.313 417 1HZ LYS 50 3HZ LYS 50 20.895 -2.439 -2.439 418 2HZ LYS 50 1HZ LYS 50 20.238 -3.228 -3.228 419 3HZ LYS 50 2HZ LYS 50 19.254 -2.525 -2.525 420 H GLU 51 H GLU 51 24.122 -0.029 -0.029 421 HA GLU 51 HA GLU 51 26.959 -0.502 -0.502 422 1HB GLU 51 1HB GLU 51 27.241 1.423 1.423 423 2HB GLU 51 2HB GLU 51 25.955 1.723 1.723 424 1HG GLU 51 1HG GLU 51 24.264 1.206 1.206 425 2HG GLU 51 2HG GLU 51 25.639 1.134 1.134 426 H LYS 52 H LYS 52 24.761 -1.896 -1.896 427 HA LYS 52 HA LYS 52 26.986 -2.567 -2.567 428 1HB LYS 52 1HB LYS 52 23.985 -3.160 -3.160 429 2HB LYS 52 2HB LYS 52 25.213 -3.555 -3.555 430 1HG LYS 52 1HG LYS 52 24.389 -0.710 -0.710 431 2HG LYS 52 2HG LYS 52 23.854 -1.555 -1.555 432 1HD LYS 52 1HD LYS 52 26.230 -1.611 -1.611 433 2HD LYS 52 2HD LYS 52 26.780 -0.765 -0.765 434 1HE LYS 52 1HE LYS 52 25.288 1.210 1.210 435 2HE LYS 52 2HE LYS 52 24.742 0.377 0.377 436 1HZ LYS 52 3HZ LYS 52 27.563 1.147 1.147 437 2HZ LYS 52 1HZ LYS 52 26.546 1.909 1.909 438 3HZ LYS 52 2HZ LYS 52 27.054 0.369 0.369 439 H LEU 53 H LEU 53 24.370 -4.315 -4.315 440 HA LEU 53 HA LEU 53 26.362 -6.436 -6.436 441 1HB LEU 53 1HB LEU 53 25.223 -8.286 -8.286 442 2HB LEU 53 2HB LEU 53 25.194 -7.329 -7.329 443 HG LEU 53 HG LEU 53 22.936 -7.615 -7.615 444 1HD1 LEU 53 3HD1 LEU 53 23.400 -9.795 -9.795 445 2HD1 LEU 53 1HD1 LEU 53 23.244 -9.041 -9.041 446 3HD1 LEU 53 2HD1 LEU 53 21.826 -9.175 -9.175 447 1HD2 LEU 53 2HD2 LEU 53 22.796 -6.353 -6.353 448 2HD2 LEU 53 3HD2 LEU 53 22.557 -5.511 -5.511 449 3HD2 LEU 53 1HD2 LEU 53 21.373 -6.706 -6.706 450 H LYS 54 H LYS 54 26.085 -7.037 -7.037 451 HA LYS 54 HA LYS 54 24.467 -5.002 -5.002 452 1HB LYS 54 1HB LYS 54 26.816 -5.554 -5.554 453 2HB LYS 54 2HB LYS 54 26.315 -7.170 -7.170 454 1HG LYS 54 1HG LYS 54 24.749 -6.129 -6.129 455 2HG LYS 54 2HG LYS 54 25.242 -4.521 -4.521 456 1HD LYS 54 1HD LYS 54 27.628 -5.026 -5.026 457 2HD LYS 54 2HD LYS 54 27.142 -6.649 -6.649 458 1HE LYS 54 1HE LYS 54 25.569 -5.642 -5.642 459 2HE LYS 54 2HE LYS 54 26.043 -4.015 -4.015 460 1HZ LYS 54 1HZ LYS 54 27.890 -6.059 -6.059 461 2HZ LYS 54 2HZ LYS 54 27.296 -4.738 -4.738 462 3HZ LYS 54 3HZ LYS 54 28.334 -4.541 -4.541 463 H ILE 55 H ILE 55 22.411 -5.364 -5.364 464 HA ILE 55 HA ILE 55 21.339 -8.089 -8.089 465 HB ILE 55 HB ILE 55 19.957 -6.164 -6.164 466 1HG1 ILE 55 1HG1 ILE 55 20.741 -9.153 -9.153 467 2HG1 ILE 55 2HG1 ILE 55 21.654 -7.835 -7.835 468 1HG2 ILE 55 2HG2 ILE 55 18.279 -6.962 -6.962 469 2HG2 ILE 55 3HG2 ILE 55 18.741 -8.650 -8.650 470 3HG2 ILE 55 1HG2 ILE 55 17.955 -7.672 -7.672 471 1HD1 ILE 55 2HD1 ILE 55 19.706 -7.215 -7.215 472 2HD1 ILE 55 3HD1 ILE 55 18.806 -8.622 -8.622 473 3HD1 ILE 55 1HD1 ILE 55 20.317 -8.869 -8.869 474 H ASP 56 H ASP 56 21.259 -7.731 -7.731 475 HA ASP 56 HA ASP 56 20.789 -5.157 -5.157 476 1HB ASP 56 1HB ASP 56 20.824 -7.969 -7.969 477 2HB ASP 56 2HB ASP 56 20.661 -6.497 -6.497 478 H SER 57 H SER 57 18.561 -8.033 -8.033 479 HA SER 57 HA SER 57 16.312 -6.227 -6.227 480 1HB SER 57 1HB SER 57 14.957 -8.262 -8.262 481 2HB SER 57 2HB SER 57 16.482 -8.417 -8.417 482 HG SER 57 HG SER 57 15.965 -10.256 -10.256 Start of MODEL 8 1 1H THR 1 3H THR 1 -27.207 -6.480 -6.480 2 2H THR 1 1H THR 1 -25.711 -6.543 -6.543 3 3H THR 1 2H THR 1 -26.897 -5.607 -5.607 4 HA THR 1 HA THR 1 -26.996 -4.217 -4.217 5 HB THR 1 HB THR 1 -25.634 -3.561 -3.561 6 HG1 THR 1 HG1 THR 1 -24.614 -2.757 -2.757 7 1HG2 THR 1 2HG2 THR 1 -23.717 -5.191 -5.191 8 2HG2 THR 1 3HG2 THR 1 -23.130 -4.448 -4.448 9 3HG2 THR 1 1HG2 THR 1 -23.164 -3.502 -3.502 10 HA PRO 2 HA PRO 2 -24.009 -5.285 -5.285 11 1HB PRO 2 1HB PRO 2 -22.815 -7.786 -7.786 12 2HB PRO 2 2HB PRO 2 -22.164 -6.600 -6.600 13 1HG PRO 2 1HG PRO 2 -23.962 -8.963 -8.963 14 2HG PRO 2 2HG PRO 2 -22.528 -8.391 -8.391 15 1HD PRO 2 1HD PRO 2 -25.175 -7.780 -7.780 16 2HD PRO 2 2HD PRO 2 -23.811 -6.719 -6.719 17 H ASP 3 H ASP 3 -25.605 -5.082 -5.082 18 HA ASP 3 HA ASP 3 -27.223 -7.522 -7.522 19 1HB ASP 3 1HB ASP 3 -28.261 -4.674 -4.674 20 2HB ASP 3 2HB ASP 3 -29.183 -5.884 -5.884 21 H VAL 4 H VAL 4 -26.945 -7.876 -7.876 22 HA VAL 4 HA VAL 4 -25.639 -5.871 -5.871 23 HB VAL 4 HB VAL 4 -24.785 -8.177 -8.177 24 1HG1 VAL 4 3HG1 VAL 4 -26.905 -9.561 -9.561 25 2HG1 VAL 4 1HG1 VAL 4 -27.040 -9.328 -9.328 26 3HG1 VAL 4 2HG1 VAL 4 -25.633 -10.158 -10.158 27 1HG2 VAL 4 2HG2 VAL 4 -24.188 -6.767 -6.767 28 2HG2 VAL 4 3HG2 VAL 4 -24.199 -8.488 -8.488 29 3HG2 VAL 4 1HG2 VAL 4 -25.553 -7.439 -7.439 30 H SER 5 H SER 5 -28.192 -8.067 -8.067 31 HA SER 5 HA SER 5 -30.045 -7.895 -7.895 32 1HB SER 5 1HB SER 5 -31.023 -6.611 -6.611 33 2HB SER 5 2HB SER 5 -30.507 -5.095 -5.095 34 HG SER 5 HG SER 5 -31.750 -5.697 -5.697 35 H SER 6 H SER 6 -27.922 -7.798 -7.798 36 HA SER 6 HA SER 6 -26.872 -7.223 -7.223 37 1HB SER 6 1HB SER 6 -29.523 -5.917 -5.917 38 2HB SER 6 2HB SER 6 -28.160 -6.174 -6.174 39 HG SER 6 HG SER 6 -29.513 -8.182 -8.182 40 H ALA 7 H ALA 7 -25.608 -5.921 -5.921 41 HA ALA 7 HA ALA 7 -25.844 -2.967 -2.967 42 1HB ALA 7 1HB ALA 7 -25.123 -4.095 -4.095 43 2HB ALA 7 2HB ALA 7 -23.636 -4.675 -4.675 44 3HB ALA 7 3HB ALA 7 -23.904 -2.933 -2.933 45 H LEU 8 H LEU 8 -22.951 -5.041 -5.041 46 HA LEU 8 HA LEU 8 -21.939 -2.980 -2.980 47 1HB LEU 8 1HB LEU 8 -21.263 -5.942 -5.942 48 2HB LEU 8 2HB LEU 8 -20.387 -4.958 -4.958 49 HG LEU 8 HG LEU 8 -20.566 -4.396 -4.396 50 1HD1 LEU 8 2HD1 LEU 8 -19.234 -6.444 -6.444 51 2HD1 LEU 8 3HD1 LEU 8 -18.219 -5.516 -5.516 52 3HD1 LEU 8 1HD1 LEU 8 -18.189 -5.147 -5.147 53 1HD2 LEU 8 2HD2 LEU 8 -18.894 -2.929 -2.929 54 2HD2 LEU 8 3HD2 LEU 8 -20.209 -2.239 -2.239 55 3HD2 LEU 8 1HD2 LEU 8 -18.697 -2.727 -2.727 56 H ASP 9 H ASP 9 -24.311 -5.500 -5.500 57 HA ASP 9 HA ASP 9 -23.912 -5.592 -5.592 58 1HB ASP 9 1HB ASP 9 -24.837 -7.534 -7.534 59 2HB ASP 9 2HB ASP 9 -26.257 -6.602 -6.602 60 H LYS 10 H LYS 10 -26.490 -4.105 -4.105 61 HA LYS 10 HA LYS 10 -27.636 -2.494 -2.494 62 1HB LYS 10 1HB LYS 10 -27.916 -2.127 -2.127 63 2HB LYS 10 2HB LYS 10 -28.755 -1.145 -1.145 64 1HG LYS 10 1HG LYS 10 -29.943 -3.114 -3.114 65 2HG LYS 10 2HG LYS 10 -29.082 -4.201 -4.201 66 1HD LYS 10 1HD LYS 10 -30.069 -3.056 -3.056 67 2HD LYS 10 2HD LYS 10 -30.925 -1.912 -1.912 68 1HE LYS 10 1HE LYS 10 -31.381 -4.981 -4.981 69 2HE LYS 10 2HE LYS 10 -32.325 -3.847 -3.847 70 1HZ LYS 10 2HZ LYS 10 -33.037 -2.749 -2.749 71 2HZ LYS 10 3HZ LYS 10 -32.155 -3.802 -3.802 72 3HZ LYS 10 1HZ LYS 10 -33.430 -4.354 -4.354 73 H LEU 11 H LEU 11 -25.534 -1.444 -1.444 74 HA LEU 11 HA LEU 11 -24.669 1.017 1.017 75 1HB LEU 11 1HB LEU 11 -24.334 0.228 0.228 76 2HB LEU 11 2HB LEU 11 -23.330 1.436 1.436 77 HG LEU 11 HG LEU 11 -25.275 2.837 2.837 78 1HD1 LEU 11 1HD2 LEU 11 -27.006 0.800 0.800 79 2HD1 LEU 11 2HD2 LEU 11 -27.533 2.440 2.440 80 3HD1 LEU 11 3HD2 LEU 11 -27.164 1.246 1.246 81 1HD2 LEU 11 2HD1 LEU 11 -24.015 3.195 3.195 82 2HD2 LEU 11 3HD1 LEU 11 -25.714 3.669 3.669 83 3HD2 LEU 11 1HD1 LEU 11 -25.141 2.130 2.130 84 H LYS 12 H LYS 12 -23.735 -0.610 -0.610 85 HA LYS 12 HA LYS 12 -21.179 -1.899 -1.899 86 1HB LYS 12 1HB LYS 12 -20.964 -2.580 -2.580 87 2HB LYS 12 2HB LYS 12 -22.523 -2.987 -2.987 88 1HG LYS 12 1HG LYS 12 -23.568 -1.019 -1.019 89 2HG LYS 12 2HG LYS 12 -21.998 -0.686 -0.686 90 1HD LYS 12 1HD LYS 12 -21.993 -3.023 -3.023 91 2HD LYS 12 2HD LYS 12 -23.551 -3.333 -3.333 92 1HE LYS 12 1HE LYS 12 -24.014 -2.783 -2.783 93 2HE LYS 12 2HE LYS 12 -24.582 -1.416 -1.416 94 1HZ LYS 12 1HZ LYS 12 -21.994 -1.531 -1.531 95 2HZ LYS 12 2HZ LYS 12 -23.343 -0.695 -0.695 96 3HZ LYS 12 3HZ LYS 12 -22.510 -0.239 -0.239 97 H GLU 13 H GLU 13 -21.872 1.070 1.070 98 HA GLU 13 HA GLU 13 -18.938 1.717 1.717 99 1HB GLU 13 1HB GLU 13 -19.489 3.712 3.712 100 2HB GLU 13 2HB GLU 13 -20.114 2.248 2.248 101 1HG GLU 13 1HG GLU 13 -21.790 3.836 3.836 102 2HG GLU 13 2HG GLU 13 -22.455 2.835 2.835 103 H PHE 14 H PHE 14 -21.702 2.881 2.881 104 HA PHE 14 HA PHE 14 -20.042 4.852 4.852 105 1HB PHE 14 1HB PHE 14 -22.601 4.966 4.966 106 2HB PHE 14 2HB PHE 14 -22.734 3.678 3.678 107 HD1 PHE 14 HD1 PHE 14 -21.926 4.133 4.133 108 HD2 PHE 14 HD2 PHE 14 -21.983 7.254 7.254 109 HE1 PHE 14 HE1 PHE 14 -21.739 5.827 5.827 110 HE2 PHE 14 HE2 PHE 14 -21.791 8.935 8.935 111 HZ PHE 14 HZ PHE 14 -21.667 8.230 8.230 112 H GLY 15 H GLY 15 -20.920 1.440 1.440 113 1HA GLY 15 1HA GLY 15 -19.561 1.055 1.055 114 2HA GLY 15 2HA GLY 15 -19.836 -0.221 -0.221 115 H ASN 16 H ASN 16 -18.372 0.518 0.518 116 HA ASN 16 HA ASN 16 -15.560 0.031 0.031 117 1HB ASN 16 1HB ASN 16 -16.962 1.241 1.241 118 2HB ASN 16 2HB ASN 16 -15.242 0.980 0.980 119 1HD2 ASN 16 1HD2 ASN 16 -16.622 -1.997 -1.997 120 2HD2 ASN 16 2HD2 ASN 16 -16.532 -0.182 -0.182 121 H THR 17 H THR 17 -17.219 3.230 3.230 122 HA THR 17 HA THR 17 -14.807 4.845 4.845 123 HB THR 17 HB THR 17 -17.614 5.531 5.531 124 HG1 THR 17 HG1 THR 17 -16.321 5.967 5.967 125 1HG2 THR 17 2HG2 THR 17 -15.329 7.411 7.411 126 2HG2 THR 17 3HG2 THR 17 -17.008 7.896 7.896 127 3HG2 THR 17 1HG2 THR 17 -15.973 7.228 7.228 128 H LEU 18 H LEU 18 -16.862 4.074 4.074 129 HA LEU 18 HA LEU 18 -14.545 4.813 4.813 130 1HB LEU 18 1HB LEU 18 -15.859 4.837 4.837 131 2HB LEU 18 2HB LEU 18 -16.832 5.565 5.565 132 HG LEU 18 HG LEU 18 -17.161 2.668 2.668 133 1HD1 LEU 18 3HD1 LEU 18 -17.655 4.356 4.356 134 2HD1 LEU 18 1HD1 LEU 18 -18.801 5.193 5.193 135 3HD1 LEU 18 2HD1 LEU 18 -19.140 3.535 3.535 136 1HD2 LEU 18 2HD2 LEU 18 -19.031 4.317 4.317 137 2HD2 LEU 18 3HD2 LEU 18 -18.118 2.853 2.853 138 3HD2 LEU 18 1HD2 LEU 18 -19.438 2.741 2.741 139 H GLU 19 H GLU 19 -14.783 2.172 2.172 140 HA GLU 19 HA GLU 19 -13.524 0.347 0.347 141 1HB GLU 19 1HB GLU 19 -14.193 -0.142 -0.142 142 2HB GLU 19 2HB GLU 19 -13.109 -1.204 -1.204 143 1HG GLU 19 1HG GLU 19 -14.848 -1.772 -1.772 144 2HG GLU 19 2HG GLU 19 -15.993 -0.664 -0.664 145 H ASP 20 H ASP 20 -12.584 1.774 1.774 146 HA ASP 20 HA ASP 20 -9.698 1.543 1.543 147 1HB ASP 20 1HB ASP 20 -10.836 1.740 1.740 148 2HB ASP 20 2HB ASP 20 -11.143 3.436 3.436 149 H LYS 21 H LYS 21 -11.945 4.285 4.285 150 HA LYS 21 HA LYS 21 -9.931 6.220 6.220 151 1HB LYS 21 1HB LYS 21 -12.407 6.658 6.658 152 2HB LYS 21 2HB LYS 21 -12.831 6.090 6.090 153 1HG LYS 21 1HG LYS 21 -11.456 7.943 7.943 154 2HG LYS 21 2HG LYS 21 -10.973 8.478 8.478 155 1HD LYS 21 1HD LYS 21 -13.424 8.899 8.899 156 2HD LYS 21 2HD LYS 21 -13.885 8.340 8.340 157 1HE LYS 21 1HE LYS 21 -13.952 10.735 10.735 158 2HE LYS 21 2HE LYS 21 -12.576 10.251 10.251 159 1HZ LYS 21 3HZ LYS 21 -12.421 11.246 11.246 160 2HZ LYS 21 1HZ LYS 21 -12.025 12.103 12.103 161 3HZ LYS 21 2HZ LYS 21 -11.119 10.796 10.796 162 H ALA 22 H ALA 22 -11.846 3.905 3.905 163 HA ALA 22 HA ALA 22 -10.544 4.551 4.551 164 1HB ALA 22 2HB ALA 22 -12.718 3.343 3.343 165 2HB ALA 22 3HB ALA 22 -11.933 1.932 1.932 166 3HB ALA 22 1HB ALA 22 -11.519 2.403 2.403 167 H ARG 23 H ARG 23 -9.690 2.068 2.068 168 HA ARG 23 HA ARG 23 -7.351 0.955 0.955 169 1HB ARG 23 1HB ARG 23 -8.561 -0.021 -0.021 170 2HB ARG 23 2HB ARG 23 -7.848 1.222 1.222 171 1HG ARG 23 1HG ARG 23 -5.536 0.355 0.355 172 2HG ARG 23 2HG ARG 23 -6.293 -0.868 -0.868 173 1HD ARG 23 1HD ARG 23 -7.487 -1.820 -1.820 174 2HD ARG 23 2HD ARG 23 -6.692 -0.598 -0.598 175 HE ARG 23 HE ARG 23 -4.666 -2.129 -2.129 176 1HH1 ARG 23 1HH1 ARG 23 -6.837 -2.464 -2.464 177 2HH1 ARG 23 2HH1 ARG 23 -5.721 -3.726 -3.726 178 1HH2 ARG 23 1HH2 ARG 23 -3.469 -3.561 -3.561 179 2HH2 ARG 23 2HH2 ARG 23 -3.943 -4.304 -4.304 180 H GLU 24 H GLU 24 -7.570 3.737 3.737 181 HA GLU 24 HA GLU 24 -4.716 4.455 4.455 182 1HB GLU 24 1HB GLU 24 -7.156 6.097 6.097 183 2HB GLU 24 2HB GLU 24 -5.525 6.721 6.721 184 1HG GLU 24 1HG GLU 24 -6.475 4.225 4.225 185 2HG GLU 24 2HG GLU 24 -6.349 5.846 5.846 186 H LEU 25 H LEU 25 -7.298 5.187 5.187 187 HA LEU 25 HA LEU 25 -5.885 7.396 7.396 188 1HB LEU 25 1HB LEU 25 -7.973 5.446 5.446 189 2HB LEU 25 2HB LEU 25 -7.306 6.764 6.764 190 HG LEU 25 HG LEU 25 -8.860 7.178 7.178 191 1HD1 LEU 25 2HD1 LEU 25 -10.315 6.207 6.207 192 2HD1 LEU 25 3HD1 LEU 25 -9.839 7.512 7.512 193 3HD1 LEU 25 1HD1 LEU 25 -10.767 7.881 7.881 194 1HD2 LEU 25 2HD2 LEU 25 -7.946 9.247 9.247 195 2HD2 LEU 25 3HD2 LEU 25 -7.341 9.113 9.113 196 3HD2 LEU 25 1HD2 LEU 25 -9.020 9.584 9.584 197 H ILE 26 H ILE 26 -5.683 3.821 3.821 198 HA ILE 26 HA ILE 26 -3.749 4.116 4.116 199 HB ILE 26 HB ILE 26 -3.913 1.614 1.614 200 1HG1 ILE 26 1HG1 ILE 26 -5.373 0.887 0.887 201 2HG1 ILE 26 2HG1 ILE 26 -5.867 2.556 2.556 202 1HG2 ILE 26 2HG2 ILE 26 -1.935 1.652 1.652 203 2HG2 ILE 26 3HG2 ILE 26 -2.963 1.955 1.955 204 3HG2 ILE 26 1HG2 ILE 26 -3.076 0.414 0.414 205 1HD1 ILE 26 2HD1 ILE 26 -6.520 2.028 2.028 206 2HD1 ILE 26 3HD1 ILE 26 -6.131 0.329 0.329 207 3HD1 ILE 26 1HD1 ILE 26 -7.450 1.129 1.129 208 H SER 27 H SER 27 -3.136 3.539 3.539 209 HA SER 27 HA SER 27 -0.224 3.784 3.784 210 1HB SER 27 1HB SER 27 -0.186 4.121 4.121 211 2HB SER 27 2HB SER 27 -1.309 2.832 2.832 212 HG SER 27 HG SER 27 -2.149 4.281 4.281 213 H ARG 28 H ARG 28 -2.604 6.313 6.313 214 HA ARG 28 HA ARG 28 -0.704 8.623 8.623 215 1HB ARG 28 1HB ARG 28 -3.105 8.822 8.822 216 2HB ARG 28 2HB ARG 28 -3.610 8.414 8.414 217 1HG ARG 28 1HG ARG 28 -2.517 10.542 10.542 218 2HG ARG 28 2HG ARG 28 -2.065 10.955 10.955 219 1HD ARG 28 1HD ARG 28 -4.464 11.014 11.014 220 2HD ARG 28 2HD ARG 28 -4.995 10.450 10.450 221 HE ARG 28 HE ARG 28 -4.004 13.227 13.227 222 1HH1 ARG 28 1HH1 ARG 28 -4.972 11.054 11.054 223 2HH1 ARG 28 2HH1 ARG 28 -5.254 12.499 12.499 224 1HH2 ARG 28 1HH2 ARG 28 -4.358 14.787 14.787 225 2HH2 ARG 28 2HH2 ARG 28 -4.929 14.469 14.469 226 H ILE 29 H ILE 29 -2.208 6.759 6.759 227 HA ILE 29 HA ILE 29 -0.937 8.391 8.391 228 HB ILE 29 HB ILE 29 -2.865 6.045 6.045 229 1HG1 ILE 29 1HG1 ILE 29 -3.298 8.922 8.922 230 2HG1 ILE 29 2HG1 ILE 29 -3.648 8.466 8.466 231 1HG2 ILE 29 2HG2 ILE 29 -1.764 7.409 7.409 232 2HG2 ILE 29 3HG2 ILE 29 -3.165 6.304 6.304 233 3HG2 ILE 29 1HG2 ILE 29 -1.573 5.699 5.699 234 1HD1 ILE 29 2HD1 ILE 29 -5.337 6.740 6.740 235 2HD1 ILE 29 3HD1 ILE 29 -5.092 7.335 7.335 236 3HD1 ILE 29 1HD1 ILE 29 -5.737 8.422 8.422 237 H LYS 30 H LYS 30 -0.844 4.860 4.860 238 HA LYS 30 HA LYS 30 0.773 3.501 3.501 239 1HB LYS 30 1HB LYS 30 2.764 4.991 4.991 240 2HB LYS 30 2HB LYS 30 3.104 3.468 3.468 241 1HG LYS 30 1HG LYS 30 1.005 3.886 3.886 242 2HG LYS 30 2HG LYS 30 2.609 3.205 3.205 243 1HD LYS 30 1HD LYS 30 2.031 1.284 1.284 244 2HD LYS 30 2HD LYS 30 0.390 1.919 1.919 245 1HE LYS 30 1HE LYS 30 -0.001 1.693 1.693 246 2HE LYS 30 2HE LYS 30 1.649 1.091 1.091 247 1HZ LYS 30 2HZ LYS 30 -0.453 -0.234 -0.234 248 2HZ LYS 30 3HZ LYS 30 0.061 -0.720 -0.720 249 3HZ LYS 30 1HZ LYS 30 1.088 -0.795 -0.795 250 H GLN 31 H GLN 31 0.920 6.419 6.419 251 HA GLN 31 HA GLN 31 2.677 5.946 5.946 252 1HB GLN 31 1HB GLN 31 3.605 7.830 7.830 253 2HB GLN 31 2HB GLN 31 3.919 8.247 8.247 254 1HG GLN 31 1HG GLN 31 5.100 6.030 6.030 255 2HG GLN 31 2HG GLN 31 4.792 5.645 5.645 256 1HE2 GLN 31 2HE2 GLN 31 7.934 8.108 8.108 257 2HE2 GLN 31 1HE2 GLN 31 6.860 7.417 7.417 258 H SER 32 H SER 32 1.661 8.947 8.947 259 HA SER 32 HA SER 32 -1.066 8.890 8.890 260 1HB SER 32 1HB SER 32 -0.148 9.139 9.139 261 2HB SER 32 2HB SER 32 0.607 10.670 10.670 262 HG SER 32 HG SER 32 -1.424 10.914 10.914 263 H GLU 33 H GLU 33 -1.475 9.718 9.718 264 HA GLU 33 HA GLU 33 -0.530 10.630 10.630 265 1HB GLU 33 1HB GLU 33 -1.663 12.686 12.686 266 2HB GLU 33 2HB GLU 33 -2.683 11.644 11.644 267 1HG GLU 33 1HG GLU 33 -2.183 13.027 13.027 268 2HG GLU 33 2HG GLU 33 -1.100 14.053 14.053 269 H LEU 34 H LEU 34 1.680 10.524 10.524 270 HA LEU 34 HA LEU 34 3.408 12.814 12.814 271 1HB LEU 34 1HB LEU 34 3.711 11.598 11.598 272 2HB LEU 34 2HB LEU 34 4.251 10.172 10.172 273 HG LEU 34 HG LEU 34 5.642 12.927 12.927 274 1HD1 LEU 34 2HD1 LEU 34 5.642 12.096 12.096 275 2HD1 LEU 34 3HD1 LEU 34 6.335 10.541 10.541 276 3HD1 LEU 34 1HD1 LEU 34 7.278 12.043 12.043 277 1HD2 LEU 34 3HD2 LEU 34 6.675 10.125 10.125 278 2HD2 LEU 34 1HD2 LEU 34 6.397 11.515 11.515 279 3HD2 LEU 34 2HD2 LEU 34 7.693 11.580 11.580 280 H SER 35 H SER 35 3.296 9.296 9.296 281 HA SER 35 HA SER 35 5.294 9.355 9.355 282 1HB SER 35 1HB SER 35 4.423 7.438 7.438 283 2HB SER 35 2HB SER 35 3.230 7.138 7.138 284 HG SER 35 HG SER 35 5.012 6.936 6.936 285 H ALA 36 H ALA 36 1.936 10.139 10.139 286 HA ALA 36 HA ALA 36 2.275 9.912 9.912 287 1HB ALA 36 1HB ALA 36 0.236 10.752 10.752 288 2HB ALA 36 2HB ALA 36 1.109 12.196 12.196 289 3HB ALA 36 3HB ALA 36 0.806 11.941 11.941 290 H LYS 37 H LYS 37 4.071 11.787 11.787 291 HA LYS 37 HA LYS 37 5.379 13.671 13.671 292 1HB LYS 37 1HB LYS 37 6.187 13.137 13.137 293 2HB LYS 37 2HB LYS 37 6.917 14.323 14.323 294 1HG LYS 37 1HG LYS 37 4.793 15.622 15.622 295 2HG LYS 37 2HG LYS 37 3.955 14.410 14.410 296 1HD LYS 37 1HD LYS 37 5.552 14.839 14.839 297 2HD LYS 37 2HD LYS 37 6.343 16.100 16.100 298 1HE LYS 37 1HE LYS 37 4.147 17.384 17.384 299 2HE LYS 37 2HE LYS 37 3.355 16.113 16.113 300 1HZ LYS 37 3HZ LYS 37 4.901 16.590 16.590 301 2HZ LYS 37 1HZ LYS 37 5.641 17.777 17.777 302 3HZ LYS 37 2HZ LYS 37 4.061 17.948 17.948 303 H MET 38 H MET 38 6.320 10.775 10.775 304 HA MET 38 HA MET 38 8.901 10.254 10.254 305 1HB MET 38 1HB MET 38 6.916 8.319 8.319 306 2HB MET 38 2HB MET 38 8.520 7.872 7.872 307 1HG MET 38 1HG MET 38 7.920 9.984 9.984 308 2HG MET 38 2HG MET 38 8.430 8.328 8.328 309 1HE MET 38 2HE MET 38 10.887 7.630 7.630 310 2HE MET 38 1HE MET 38 10.809 7.422 7.422 311 3HE MET 38 3HE MET 38 12.194 8.275 8.275 312 H ARG 39 H ARG 39 5.661 9.581 9.581 313 HA ARG 39 HA ARG 39 6.726 7.858 7.858 314 1HB ARG 39 1HB ARG 39 3.957 9.129 9.129 315 2HB ARG 39 2HB ARG 39 4.419 8.557 8.557 316 1HG ARG 39 1HG ARG 39 3.243 6.776 6.776 317 2HG ARG 39 2HG ARG 39 4.925 6.265 6.265 318 1HD ARG 39 1HD ARG 39 5.045 6.773 6.773 319 2HD ARG 39 2HD ARG 39 3.344 7.273 7.273 320 HE ARG 39 HE ARG 39 3.630 4.565 4.565 321 1HH1 ARG 39 1HH1 ARG 39 3.722 6.224 6.224 322 2HH1 ARG 39 2HH1 ARG 39 3.078 4.722 4.722 323 1HH2 ARG 39 1HH2 ARG 39 2.848 2.926 2.926 324 2HH2 ARG 39 2HH2 ARG 39 2.617 2.982 2.982 325 H GLU 40 H GLU 40 7.438 8.525 8.525 326 HA GLU 40 HA GLU 40 8.119 10.154 10.154 327 1HB GLU 40 1HB GLU 40 8.002 12.427 12.427 328 2HB GLU 40 2HB GLU 40 8.782 12.478 12.478 329 1HG GLU 40 1HG GLU 40 5.773 11.896 11.896 330 2HG GLU 40 2HG GLU 40 6.451 13.491 13.491 331 H TRP 41 H TRP 41 9.351 10.711 10.711 332 HA TRP 41 HA TRP 41 12.180 10.334 10.334 333 1HB TRP 41 1HB TRP 41 11.368 11.514 11.514 334 2HB TRP 41 2HB TRP 41 10.719 10.029 10.029 335 HD1 TRP 41 HD1 TRP 41 13.995 12.004 12.004 336 HE1 TRP 41 HE1 TRP 41 15.952 10.894 10.894 337 HE3 TRP 41 HE3 TRP 41 11.616 7.580 7.580 338 HZ2 TRP 41 HZ2 TRP 41 16.237 8.359 8.359 339 HZ3 TRP 41 HZ3 TRP 41 12.799 5.837 5.837 340 HH2 TRP 41 HH2 TRP 41 15.062 6.222 6.222 341 H PHE 42 H PHE 42 9.676 7.910 7.910 342 HA PHE 42 HA PHE 42 11.591 5.714 5.714 343 1HB PHE 42 1HB PHE 42 8.628 5.518 5.518 344 2HB PHE 42 2HB PHE 42 9.603 4.124 4.124 345 HD1 PHE 42 HD2 PHE 42 11.113 4.728 4.728 346 HD2 PHE 42 HD1 PHE 42 7.037 5.614 5.614 347 HE1 PHE 42 HE2 PHE 42 10.485 4.690 4.690 348 HE2 PHE 42 HE1 PHE 42 6.420 5.518 5.518 349 HZ PHE 42 HZ PHE 42 8.143 5.081 5.081 350 H SER 43 H SER 43 9.983 6.798 6.798 351 HA SER 43 HA SER 43 10.919 4.584 4.584 352 1HB SER 43 1HB SER 43 9.731 7.332 7.332 353 2HB SER 43 2HB SER 43 10.136 6.067 6.067 354 HG SER 43 HG SER 43 7.979 6.001 6.001 355 H GLU 44 H GLU 44 11.976 7.950 7.950 356 HA GLU 44 HA GLU 44 14.378 8.074 8.074 357 1HB GLU 44 1HB GLU 44 13.187 9.958 9.958 358 2HB GLU 44 2HB GLU 44 13.825 9.294 9.294 359 1HG GLU 44 1HG GLU 44 16.209 9.693 9.693 360 2HG GLU 44 2HG GLU 44 15.408 10.539 10.539 361 H THR 45 H THR 45 14.046 6.987 6.987 362 HA THR 45 HA THR 45 16.891 5.904 5.904 363 HB THR 45 HB THR 45 14.664 6.057 6.057 364 HG1 THR 45 HG1 THR 45 16.828 7.815 7.815 365 1HG2 THR 45 3HG2 THR 45 17.694 5.646 5.646 366 2HG2 THR 45 1HG2 THR 45 16.600 6.164 6.164 367 3HG2 THR 45 2HG2 THR 45 16.370 4.586 4.586 368 H PHE 46 H PHE 46 14.518 4.505 4.505 369 HA PHE 46 HA PHE 46 14.243 1.954 1.954 370 1HB PHE 46 1HB PHE 46 12.570 2.918 2.918 371 2HB PHE 46 2HB PHE 46 13.536 2.341 2.341 372 HD1 PHE 46 HD1 PHE 46 11.688 1.285 1.285 373 HD2 PHE 46 HD2 PHE 46 13.294 -0.041 -0.041 374 HE1 PHE 46 HE1 PHE 46 10.597 -0.898 -0.898 375 HE2 PHE 46 HE2 PHE 46 12.171 -2.209 -2.209 376 HZ PHE 46 HZ PHE 46 10.831 -2.647 -2.647 377 H GLN 47 H GLN 47 15.738 1.045 1.045 378 HA GLN 47 HA GLN 47 17.698 -0.632 -0.632 379 1HB GLN 47 1HB GLN 47 19.809 0.603 0.603 380 2HB GLN 47 2HB GLN 47 18.653 0.920 0.920 381 1HG GLN 47 1HG GLN 47 18.116 3.186 3.186 382 2HG GLN 47 2HG GLN 47 19.245 2.882 2.882 383 1HE2 GLN 47 2HE2 GLN 47 20.744 4.100 4.100 384 2HE2 GLN 47 1HE2 GLN 47 18.961 3.743 3.743 385 H LYS 48 H LYS 48 17.809 2.153 2.153 386 HA LYS 48 HA LYS 48 18.868 0.360 0.360 387 1HB LYS 48 1HB LYS 48 17.881 3.184 3.184 388 2HB LYS 48 2HB LYS 48 18.993 2.201 2.201 389 1HG LYS 48 1HG LYS 48 19.491 3.719 3.719 390 2HG LYS 48 2HG LYS 48 20.177 4.049 4.049 391 1HD LYS 48 1HD LYS 48 20.838 1.650 1.650 392 2HD LYS 48 2HD LYS 48 21.807 3.096 3.096 393 1HE LYS 48 1HE LYS 48 22.171 2.508 2.508 394 2HE LYS 48 2HE LYS 48 21.201 1.042 1.042 395 1HZ LYS 48 3HZ LYS 48 22.817 0.275 0.275 396 2HZ LYS 48 1HZ LYS 48 23.727 1.640 1.640 397 3HZ LYS 48 2HZ LYS 48 23.557 0.574 0.574 398 H VAL 49 H VAL 49 15.785 2.063 2.063 399 HA VAL 49 HA VAL 49 14.101 0.828 0.828 400 HB VAL 49 HB VAL 49 13.209 1.505 1.505 401 1HG1 VAL 49 3HG1 VAL 49 11.458 0.277 0.277 402 2HG1 VAL 49 1HG1 VAL 49 11.546 1.453 1.453 403 3HG1 VAL 49 2HG1 VAL 49 10.954 1.945 1.945 404 1HG2 VAL 49 2HG2 VAL 49 14.266 3.606 3.606 405 2HG2 VAL 49 3HG2 VAL 49 12.526 3.786 3.786 406 3HG2 VAL 49 1HG2 VAL 49 13.230 3.493 3.493 407 H LYS 50 H LYS 50 15.066 -0.279 -0.279 408 HA LYS 50 HA LYS 50 13.312 -2.521 -2.521 409 1HB LYS 50 1HB LYS 50 14.425 -1.393 -1.393 410 2HB LYS 50 2HB LYS 50 16.008 -1.920 -1.920 411 1HG LYS 50 1HG LYS 50 15.416 -4.289 -4.289 412 2HG LYS 50 2HG LYS 50 13.814 -3.801 -3.801 413 1HD LYS 50 1HD LYS 50 14.850 -2.430 -2.430 414 2HD LYS 50 2HD LYS 50 16.453 -2.705 -2.705 415 1HE LYS 50 1HE LYS 50 16.226 -4.136 -4.136 416 2HE LYS 50 2HE LYS 50 16.297 -5.155 -5.155 417 1HZ LYS 50 2HZ LYS 50 13.806 -4.410 -4.410 418 2HZ LYS 50 3HZ LYS 50 14.565 -5.876 -5.876 419 3HZ LYS 50 1HZ LYS 50 13.849 -5.377 -5.377 420 H GLU 51 H GLU 51 16.807 -2.568 -2.568 421 HA GLU 51 HA GLU 51 16.908 -5.307 -5.307 422 1HB GLU 51 1HB GLU 51 19.056 -4.828 -4.828 423 2HB GLU 51 2HB GLU 51 18.906 -3.971 -3.971 424 1HG GLU 51 1HG GLU 51 18.419 -1.820 -1.820 425 2HG GLU 51 2HG GLU 51 18.786 -2.723 -2.723 426 H LYS 52 H LYS 52 15.488 -2.558 -2.558 427 HA LYS 52 HA LYS 52 15.811 -3.748 -3.748 428 1HB LYS 52 1HB LYS 52 16.405 -1.315 -1.315 429 2HB LYS 52 2HB LYS 52 14.721 -0.992 -0.992 430 1HG LYS 52 1HG LYS 52 15.104 -0.250 -0.250 431 2HG LYS 52 2HG LYS 52 14.113 -1.691 -1.691 432 1HD LYS 52 1HD LYS 52 16.200 -3.046 -3.046 433 2HD LYS 52 2HD LYS 52 17.172 -1.598 -1.598 434 1HE LYS 52 1HE LYS 52 16.838 -1.864 -1.864 435 2HE LYS 52 2HE LYS 52 15.880 -0.465 -0.465 436 1HZ LYS 52 2HZ LYS 52 14.816 -3.221 -3.221 437 2HZ LYS 52 3HZ LYS 52 14.649 -1.936 -1.936 438 3HZ LYS 52 1HZ LYS 52 13.899 -1.920 -1.920 439 H LEU 53 H LEU 53 13.212 -2.743 -2.743 440 HA LEU 53 HA LEU 53 10.917 -3.486 -3.486 441 1HB LEU 53 1HB LEU 53 11.282 -5.368 -5.368 442 2HB LEU 53 2HB LEU 53 9.800 -5.066 -5.066 443 HG LEU 53 HG LEU 53 10.865 -5.872 -5.872 444 1HD1 LEU 53 1HD1 LEU 53 13.177 -6.810 -6.810 445 2HD1 LEU 53 2HD1 LEU 53 12.890 -7.387 -7.387 446 3HD1 LEU 53 3HD1 LEU 53 13.299 -5.695 -5.695 447 1HD2 LEU 53 1HD2 LEU 53 9.351 -7.305 -7.305 448 2HD2 LEU 53 2HD2 LEU 53 10.603 -8.281 -8.281 449 3HD2 LEU 53 3HD2 LEU 53 10.736 -7.898 -7.898 450 H LYS 54 H LYS 54 11.024 -3.419 -3.419 451 HA LYS 54 HA LYS 54 10.279 -1.858 -1.858 452 1HB LYS 54 1HB LYS 54 9.981 0.292 0.292 453 2HB LYS 54 2HB LYS 54 9.776 0.529 0.529 454 1HG LYS 54 1HG LYS 54 12.199 -0.279 -0.279 455 2HG LYS 54 2HG LYS 54 12.403 -0.232 -0.232 456 1HD LYS 54 1HD LYS 54 11.571 2.175 2.175 457 2HD LYS 54 2HD LYS 54 13.225 1.823 1.823 458 1HE LYS 54 1HE LYS 54 11.001 2.433 2.433 459 2HE LYS 54 2HE LYS 54 12.096 3.635 3.635 460 1HZ LYS 54 1HZ LYS 54 13.976 2.411 2.411 461 2HZ LYS 54 2HZ LYS 54 12.967 1.271 1.271 462 3HZ LYS 54 3HZ LYS 54 12.900 2.832 2.832 463 H ILE 55 H ILE 55 8.372 -1.092 -1.092 464 HA ILE 55 HA ILE 55 5.894 -2.288 -2.288 465 HB ILE 55 HB ILE 55 6.601 -1.956 -1.956 466 1HG1 ILE 55 1HG1 ILE 55 4.558 -1.149 -1.149 467 2HG1 ILE 55 2HG1 ILE 55 3.978 -0.508 -0.508 468 1HG2 ILE 55 2HG2 ILE 55 7.674 0.336 0.336 469 2HG2 ILE 55 3HG2 ILE 55 6.066 1.073 1.073 470 3HG2 ILE 55 1HG2 ILE 55 6.497 0.213 0.213 471 1HD1 ILE 55 3HD1 ILE 55 4.525 -3.506 -3.506 472 2HD1 ILE 55 1HD1 ILE 55 2.924 -2.729 -2.729 473 3HD1 ILE 55 2HD1 ILE 55 3.839 -2.866 -2.866 474 H ASP 56 H ASP 56 7.114 0.986 0.986 475 HA ASP 56 HA ASP 56 4.485 2.082 2.082 476 1HB ASP 56 1HB ASP 56 7.313 3.203 3.203 477 2HB ASP 56 2HB ASP 56 5.840 4.026 4.026 478 H SER 57 H SER 57 7.338 1.985 1.985 479 HA SER 57 HA SER 57 6.329 -0.176 -0.176 480 1HB SER 57 1HB SER 57 5.892 0.932 0.932 481 2HB SER 57 2HB SER 57 4.680 1.349 1.349 482 HG SER 57 HG SER 57 5.411 3.138 3.138 Start of MODEL 9 1 1H THR 1 3H THR 1 -17.419 -7.150 -7.150 2 2H THR 1 1H THR 1 -18.883 -7.411 -7.411 3 3H THR 1 2H THR 1 -18.515 -5.919 -5.919 4 HA THR 1 HA THR 1 -16.723 -5.637 -5.637 5 HB THR 1 HB THR 1 -18.108 -5.311 -5.311 6 HG1 THR 1 HG1 THR 1 -19.074 -7.346 -7.346 7 1HG2 THR 1 2HG2 THR 1 -18.829 -3.610 -3.610 8 2HG2 THR 1 3HG2 THR 1 -20.110 -4.727 -4.727 9 3HG2 THR 1 1HG2 THR 1 -20.140 -4.072 -4.072 10 HA PRO 2 HA PRO 2 -15.055 -9.443 -9.443 11 1HB PRO 2 1HB PRO 2 -13.504 -8.428 -8.428 12 2HB PRO 2 2HB PRO 2 -13.029 -8.173 -8.173 13 1HG PRO 2 1HG PRO 2 -14.529 -6.230 -6.230 14 2HG PRO 2 2HG PRO 2 -13.134 -5.909 -5.909 15 1HD PRO 2 1HD PRO 2 -15.716 -5.333 -5.333 16 2HD PRO 2 2HD PRO 2 -14.499 -5.888 -5.888 17 H ASP 3 H ASP 3 -16.093 -10.904 -10.904 18 HA ASP 3 HA ASP 3 -18.015 -11.726 -11.726 19 1HB ASP 3 1HB ASP 3 -16.237 -11.570 -11.570 20 2HB ASP 3 2HB ASP 3 -16.986 -10.125 -10.125 21 H VAL 4 H VAL 4 -19.769 -11.205 -11.205 22 HA VAL 4 HA VAL 4 -20.893 -8.445 -8.445 23 HB VAL 4 HB VAL 4 -20.602 -9.627 -9.627 24 1HG1 VAL 4 3HG1 VAL 4 -21.299 -11.997 -11.997 25 2HG1 VAL 4 1HG1 VAL 4 -22.996 -11.471 -11.471 26 3HG1 VAL 4 2HG1 VAL 4 -21.970 -11.352 -11.352 27 1HG2 VAL 4 2HG2 VAL 4 -22.181 -7.730 -7.730 28 2HG2 VAL 4 3HG2 VAL 4 -22.699 -8.888 -8.888 29 3HG2 VAL 4 1HG2 VAL 4 -23.524 -8.848 -8.848 30 H SER 5 H SER 5 -22.901 -11.263 -11.263 31 HA SER 5 HA SER 5 -24.899 -11.766 -11.766 32 1HB SER 5 1HB SER 5 -23.366 -12.239 -12.239 33 2HB SER 5 2HB SER 5 -23.607 -10.596 -10.596 34 HG SER 5 HG SER 5 -25.852 -11.064 -11.064 35 H SER 6 H SER 6 -25.314 -9.874 -9.874 36 HA SER 6 HA SER 6 -26.652 -8.080 -8.080 37 1HB SER 6 1HB SER 6 -28.152 -8.476 -8.476 38 2HB SER 6 2HB SER 6 -28.643 -7.370 -7.370 39 HG SER 6 HG SER 6 -28.658 -9.140 -9.140 40 H ALA 7 H ALA 7 -24.377 -7.141 -7.141 41 HA ALA 7 HA ALA 7 -24.091 -5.046 -5.046 42 1HB ALA 7 3HB ALA 7 -22.098 -6.288 -6.288 43 2HB ALA 7 1HB ALA 7 -22.278 -5.575 -5.575 44 3HB ALA 7 2HB ALA 7 -21.913 -4.538 -4.538 45 H LEU 8 H LEU 8 -24.249 -4.748 -4.748 46 HA LEU 8 HA LEU 8 -25.058 -1.889 -1.889 47 1HB LEU 8 1HB LEU 8 -24.256 -3.808 -3.808 48 2HB LEU 8 2HB LEU 8 -25.418 -2.646 -2.646 49 HG LEU 8 HG LEU 8 -23.181 -1.924 -1.924 50 1HD1 LEU 8 3HD1 LEU 8 -24.892 -0.144 -0.144 51 2HD1 LEU 8 1HD1 LEU 8 -24.325 -0.007 -0.007 52 3HD1 LEU 8 2HD1 LEU 8 -23.237 0.405 0.405 53 1HD2 LEU 8 3HD2 LEU 8 -21.875 -2.983 -2.983 54 2HD2 LEU 8 1HD2 LEU 8 -21.454 -1.270 -1.270 55 3HD2 LEU 8 2HD2 LEU 8 -22.489 -1.776 -1.776 56 H ASP 9 H ASP 9 -26.963 -4.720 -4.720 57 HA ASP 9 HA ASP 9 -29.459 -3.327 -3.327 58 1HB ASP 9 1HB ASP 9 -29.159 -5.787 -5.787 59 2HB ASP 9 2HB ASP 9 -29.131 -6.067 -6.067 60 H LYS 10 H LYS 10 -28.385 -4.606 -4.606 61 HA LYS 10 HA LYS 10 -30.364 -3.026 -3.026 62 1HB LYS 10 1HB LYS 10 -27.756 -4.271 -4.271 63 2HB LYS 10 2HB LYS 10 -28.998 -3.541 -3.541 64 1HG LYS 10 1HG LYS 10 -30.686 -5.234 -5.234 65 2HG LYS 10 2HG LYS 10 -29.405 -6.041 -6.041 66 1HD LYS 10 1HD LYS 10 -29.495 -5.664 -5.664 67 2HD LYS 10 2HD LYS 10 -29.979 -7.116 -7.116 68 1HE LYS 10 1HE LYS 10 -27.597 -7.392 -7.392 69 2HE LYS 10 2HE LYS 10 -27.101 -5.973 -5.973 70 1HZ LYS 10 3HZ LYS 10 -28.248 -8.463 -8.463 71 2HZ LYS 10 1HZ LYS 10 -26.659 -8.013 -8.013 72 3HZ LYS 10 2HZ LYS 10 -27.786 -7.135 -7.135 73 H LEU 11 H LEU 11 -26.820 -2.447 -2.447 74 HA LEU 11 HA LEU 11 -27.204 0.482 0.482 75 1HB LEU 11 1HB LEU 11 -24.612 -1.110 -1.110 76 2HB LEU 11 2HB LEU 11 -24.742 0.589 0.589 77 HG LEU 11 HG LEU 11 -25.819 -1.682 -1.682 78 1HD1 LEU 11 2HD2 LEU 11 -23.323 -1.641 -1.641 79 2HD1 LEU 11 3HD2 LEU 11 -23.307 0.080 0.080 80 3HD1 LEU 11 1HD2 LEU 11 -23.895 -1.150 -1.150 81 1HD2 LEU 11 1HD1 LEU 11 -25.666 1.344 1.344 82 2HD2 LEU 11 2HD1 LEU 11 -27.156 0.401 0.401 83 3HD2 LEU 11 3HD1 LEU 11 -26.115 0.059 0.059 84 H LYS 12 H LYS 12 -28.407 0.601 0.601 85 HA LYS 12 HA LYS 12 -26.879 0.382 0.382 86 1HB LYS 12 1HB LYS 12 -28.790 1.256 1.256 87 2HB LYS 12 2HB LYS 12 -29.217 -0.024 -0.024 88 1HG LYS 12 1HG LYS 12 -30.098 1.731 1.731 89 2HG LYS 12 2HG LYS 12 -29.744 2.984 2.984 90 1HD LYS 12 1HD LYS 12 -31.298 1.859 1.859 91 2HD LYS 12 2HD LYS 12 -31.650 0.600 0.600 92 1HE LYS 12 1HE LYS 12 -32.595 2.356 2.356 93 2HE LYS 12 2HE LYS 12 -32.243 3.617 3.617 94 1HZ LYS 12 1HZ LYS 12 -34.081 1.311 1.311 95 2HZ LYS 12 2HZ LYS 12 -34.536 2.873 2.873 96 3HZ LYS 12 3HZ LYS 12 -33.754 2.488 2.488 97 H GLU 13 H GLU 13 -27.865 3.372 3.372 98 HA GLU 13 HA GLU 13 -25.995 5.040 5.040 99 1HB GLU 13 1HB GLU 13 -26.553 6.923 6.923 100 2HB GLU 13 2HB GLU 13 -27.987 6.123 6.123 101 1HG GLU 13 1HG GLU 13 -28.350 5.048 5.048 102 2HG GLU 13 2HG GLU 13 -26.911 5.863 5.863 103 H PHE 14 H PHE 14 -25.850 3.703 3.703 104 HA PHE 14 HA PHE 14 -23.204 4.904 4.904 105 1HB PHE 14 1HB PHE 14 -24.619 2.684 2.684 106 2HB PHE 14 2HB PHE 14 -23.199 3.559 3.559 107 HD1 PHE 14 HD2 PHE 14 -23.394 6.198 6.198 108 HD2 PHE 14 HD1 PHE 14 -26.800 3.574 3.574 109 HE1 PHE 14 HE2 PHE 14 -24.818 7.952 7.952 110 HE2 PHE 14 HE1 PHE 14 -28.206 5.339 5.339 111 HZ PHE 14 HZ PHE 14 -27.224 7.530 7.530 112 H GLY 15 H GLY 15 -24.091 1.694 1.694 113 1HA GLY 15 1HA GLY 15 -21.254 0.669 0.669 114 2HA GLY 15 2HA GLY 15 -22.605 -0.096 -0.096 115 H ASN 16 H ASN 16 -23.297 2.598 2.598 116 HA ASN 16 HA ASN 16 -21.054 2.797 2.797 117 1HB ASN 16 1HB ASN 16 -23.577 2.775 2.775 118 2HB ASN 16 2HB ASN 16 -23.717 4.349 4.349 119 1HD2 ASN 16 1HD2 ASN 16 -22.756 5.754 5.754 120 2HD2 ASN 16 2HD2 ASN 16 -23.767 5.820 5.820 121 H THR 17 H THR 17 -21.622 5.849 5.849 122 HA THR 17 HA THR 17 -20.685 7.742 7.742 123 HB THR 17 HB THR 17 -21.880 6.854 6.854 124 HG1 THR 17 HG1 THR 17 -23.647 7.917 7.917 125 1HG2 THR 17 1HG2 THR 17 -21.367 9.630 9.630 126 2HG2 THR 17 2HG2 THR 17 -22.295 9.305 9.305 127 3HG2 THR 17 3HG2 THR 17 -20.542 8.971 8.971 128 H LEU 18 H LEU 18 -19.571 6.085 6.085 129 HA LEU 18 HA LEU 18 -16.827 7.119 7.119 130 1HB LEU 18 1HB LEU 18 -16.193 6.185 6.185 131 2HB LEU 18 2HB LEU 18 -17.588 7.196 7.196 132 HG LEU 18 HG LEU 18 -17.984 4.155 4.155 133 1HD1 LEU 18 3HD2 LEU 18 -16.220 4.410 4.410 134 2HD1 LEU 18 1HD2 LEU 18 -17.233 5.572 5.572 135 3HD1 LEU 18 2HD2 LEU 18 -17.748 3.874 3.874 136 1HD2 LEU 18 1HD1 LEU 18 -19.581 6.332 6.332 137 2HD2 LEU 18 2HD1 LEU 18 -20.090 5.505 5.505 138 3HD2 LEU 18 3HD1 LEU 18 -19.954 4.594 4.594 139 H GLU 19 H GLU 19 -18.227 4.713 4.713 140 HA GLU 19 HA GLU 19 -15.922 2.766 2.766 141 1HB GLU 19 1HB GLU 19 -18.257 1.920 1.920 142 2HB GLU 19 2HB GLU 19 -18.585 2.857 2.857 143 1HG GLU 19 1HG GLU 19 -16.872 1.455 1.455 144 2HG GLU 19 2HG GLU 19 -16.577 0.538 0.538 145 H ASP 20 H ASP 20 -17.769 4.931 4.931 146 HA ASP 20 HA ASP 20 -15.727 5.034 5.034 147 1HB ASP 20 1HB ASP 20 -18.198 5.555 5.555 148 2HB ASP 20 2HB ASP 20 -17.966 7.077 7.077 149 H LYS 21 H LYS 21 -16.336 7.373 7.373 150 HA LYS 21 HA LYS 21 -14.241 9.220 9.220 151 1HB LYS 21 1HB LYS 21 -16.199 9.213 9.213 152 2HB LYS 21 2HB LYS 21 -15.195 8.198 8.198 153 1HG LYS 21 1HG LYS 21 -13.484 10.068 10.068 154 2HG LYS 21 2HG LYS 21 -14.442 11.016 11.016 155 1HD LYS 21 1HD LYS 21 -15.087 11.874 11.874 156 2HD LYS 21 2HD LYS 21 -16.438 10.844 10.844 157 1HE LYS 21 1HE LYS 21 -15.548 9.002 9.002 158 2HE LYS 21 2HE LYS 21 -14.192 10.045 10.045 159 1HZ LYS 21 2HZ LYS 21 -15.808 11.644 11.644 160 2HZ LYS 21 3HZ LYS 21 -17.070 10.669 10.669 161 3HZ LYS 21 1HZ LYS 21 -15.990 10.166 10.166 162 H ALA 22 H ALA 22 -13.949 6.146 6.146 163 HA ALA 22 HA ALA 22 -11.147 6.526 6.526 164 1HB ALA 22 2HB ALA 22 -12.626 4.992 4.992 165 2HB ALA 22 3HB ALA 22 -12.755 3.909 3.909 166 3HB ALA 22 1HB ALA 22 -11.189 4.127 4.127 167 H ARG 23 H ARG 23 -12.486 4.509 4.509 168 HA ARG 23 HA ARG 23 -9.894 3.790 3.790 169 1HB ARG 23 1HB ARG 23 -10.970 3.073 3.073 170 2HB ARG 23 2HB ARG 23 -11.779 2.487 2.487 171 1HG ARG 23 1HG ARG 23 -13.525 4.347 4.347 172 2HG ARG 23 2HG ARG 23 -12.789 4.773 4.773 173 1HD ARG 23 1HD ARG 23 -13.849 1.952 1.952 174 2HD ARG 23 2HD ARG 23 -14.837 3.217 3.217 175 HE ARG 23 HE ARG 23 -12.467 2.881 2.881 176 1HH1 ARG 23 1HH1 ARG 23 -15.402 1.065 1.065 177 2HH1 ARG 23 2HH1 ARG 23 -15.342 0.183 0.183 178 1HH2 ARG 23 1HH2 ARG 23 -12.498 1.818 1.818 179 2HH2 ARG 23 2HH2 ARG 23 -13.807 0.582 0.582 180 H GLU 24 H GLU 24 -11.887 6.662 6.662 181 HA GLU 24 HA GLU 24 -10.144 7.886 7.886 182 1HB GLU 24 1HB GLU 24 -12.572 8.476 8.476 183 2HB GLU 24 2HB GLU 24 -12.114 9.197 9.197 184 1HG GLU 24 1HG GLU 24 -10.685 10.900 10.900 185 2HG GLU 24 2HG GLU 24 -11.185 10.154 10.154 186 H LEU 25 H LEU 25 -10.151 8.167 8.167 187 HA LEU 25 HA LEU 25 -8.039 10.270 10.270 188 1HB LEU 25 2HB LEU 25 -9.585 8.807 8.807 189 2HB LEU 25 1HB LEU 25 -8.025 9.445 9.445 190 HG LEU 25 HG LEU 25 -8.620 11.729 11.729 191 1HD1 LEU 25 2HD1 LEU 25 -10.427 11.283 11.283 192 2HD1 LEU 25 3HD1 LEU 25 -11.523 10.750 10.750 193 3HD1 LEU 25 1HD1 LEU 25 -10.950 12.429 12.429 194 1HD2 LEU 25 3HD2 LEU 25 -8.904 11.015 11.015 195 2HD2 LEU 25 1HD2 LEU 25 -10.120 12.227 12.227 196 3HD2 LEU 25 2HD2 LEU 25 -10.581 10.509 10.509 197 H ILE 26 H ILE 26 -7.913 6.746 6.746 198 HA ILE 26 HA ILE 26 -5.016 6.743 6.743 199 HB ILE 26 HB ILE 26 -7.078 4.525 4.525 200 1HG1 ILE 26 1HG1 ILE 26 -6.328 3.819 3.819 201 2HG1 ILE 26 2HG1 ILE 26 -5.214 5.173 5.173 202 1HG2 ILE 26 3HG2 ILE 26 -4.060 3.995 3.995 203 2HG2 ILE 26 1HG2 ILE 26 -5.352 2.773 2.773 204 3HG2 ILE 26 2HG2 ILE 26 -5.059 3.580 3.580 205 1HD1 ILE 26 1HD1 ILE 26 -8.300 5.367 5.367 206 2HD1 ILE 26 2HD1 ILE 26 -7.283 5.503 5.503 207 3HD1 ILE 26 3HD1 ILE 26 -7.190 6.754 6.754 208 H SER 27 H SER 27 -6.872 6.013 6.013 209 HA SER 27 HA SER 27 -4.543 5.509 5.509 210 1HB SER 27 1HB SER 27 -5.936 5.905 5.905 211 2HB SER 27 2HB SER 27 -6.834 4.971 4.971 212 HG SER 27 HG SER 27 -7.828 6.937 6.937 213 H ARG 28 H ARG 28 -5.970 8.652 8.652 214 HA ARG 28 HA ARG 28 -4.161 10.302 10.302 215 1HB ARG 28 1HB ARG 28 -6.415 11.042 11.042 216 2HB ARG 28 2HB ARG 28 -5.809 11.055 11.055 217 1HG ARG 28 1HG ARG 28 -4.128 12.853 12.853 218 2HG ARG 28 2HG ARG 28 -4.768 12.813 12.813 219 1HD ARG 28 1HD ARG 28 -7.070 13.482 13.482 220 2HD ARG 28 2HD ARG 28 -6.408 13.508 13.508 221 HE ARG 28 HE ARG 28 -5.224 15.565 15.565 222 1HH1 ARG 28 1HH1 ARG 28 -6.753 14.421 14.421 223 2HH1 ARG 28 2HH1 ARG 28 -6.476 16.059 16.059 224 1HH2 ARG 28 1HH2 ARG 28 -4.962 17.382 17.382 225 2HH2 ARG 28 2HH2 ARG 28 -5.530 17.620 17.620 226 H ILE 29 H ILE 29 -4.126 9.515 9.515 227 HA ILE 29 HA ILE 29 -1.548 10.804 10.804 228 HB ILE 29 HB ILE 29 -3.553 9.179 9.179 229 1HG1 ILE 29 1HG1 ILE 29 -3.500 11.198 11.198 230 2HG1 ILE 29 2HG1 ILE 29 -2.264 11.936 11.936 231 1HG2 ILE 29 3HG2 ILE 29 -0.809 9.882 9.882 232 2HG2 ILE 29 1HG2 ILE 29 -2.240 9.347 9.347 233 3HG2 ILE 29 2HG2 ILE 29 -1.475 8.246 8.246 234 1HD1 ILE 29 3HD1 ILE 29 -5.177 11.363 11.363 235 2HD1 ILE 29 1HD1 ILE 29 -4.517 12.930 12.930 236 3HD1 ILE 29 2HD1 ILE 29 -3.950 12.195 12.195 237 H LYS 30 H LYS 30 -2.018 7.295 7.295 238 HA LYS 30 HA LYS 30 -0.515 5.524 5.524 239 1HB LYS 30 1HB LYS 30 0.441 6.786 6.786 240 2HB LYS 30 2HB LYS 30 0.847 5.179 5.179 241 1HG LYS 30 1HG LYS 30 -1.955 6.178 6.178 242 2HG LYS 30 2HG LYS 30 -0.923 5.173 5.173 243 1HD LYS 30 1HD LYS 30 -2.176 4.324 4.324 244 2HD LYS 30 2HD LYS 30 -2.796 3.930 3.930 245 1HE LYS 30 1HE LYS 30 -0.673 2.628 2.628 246 2HE LYS 30 2HE LYS 30 -0.053 2.997 2.997 247 1HZ LYS 30 1HZ LYS 30 -2.558 1.486 1.486 248 2HZ LYS 30 2HZ LYS 30 -1.125 0.837 0.837 249 3HZ LYS 30 3HZ LYS 30 -1.978 1.835 1.835 250 H GLN 31 H GLN 31 0.316 6.648 6.648 251 HA GLN 31 HA GLN 31 1.916 7.432 7.432 252 1HB GLN 31 1HB GLN 31 3.002 5.254 5.254 253 2HB GLN 31 2HB GLN 31 4.046 6.278 6.278 254 1HG GLN 31 1HG GLN 31 4.660 7.506 7.506 255 2HG GLN 31 2HG GLN 31 3.758 6.284 6.284 256 1HE2 GLN 31 2HE2 GLN 31 7.475 5.258 5.258 257 2HE2 GLN 31 1HE2 GLN 31 6.641 6.811 6.811 258 H SER 32 H SER 32 1.005 9.481 9.481 259 HA SER 32 HA SER 32 3.315 11.366 11.366 260 1HB SER 32 1HB SER 32 2.169 10.780 10.780 261 2HB SER 32 2HB SER 32 0.650 11.435 11.435 262 HG SER 32 HG SER 32 3.112 12.828 12.828 263 H GLU 33 H GLU 33 0.040 12.749 12.749 264 HA GLU 33 HA GLU 33 0.631 14.076 14.076 265 1HB GLU 33 1HB GLU 33 -0.852 14.885 14.885 266 2HB GLU 33 2HB GLU 33 -2.085 13.755 13.755 267 1HG GLU 33 1HG GLU 33 -2.222 15.008 15.008 268 2HG GLU 33 2HG GLU 33 -0.904 16.059 16.059 269 H LEU 34 H LEU 34 0.145 10.907 10.907 270 HA LEU 34 HA LEU 34 -1.131 10.543 10.543 271 1HB LEU 34 1HB LEU 34 -1.641 8.782 8.782 272 2HB LEU 34 2HB LEU 34 0.016 8.552 8.552 273 HG LEU 34 HG LEU 34 -1.076 6.779 6.779 274 1HD1 LEU 34 2HD1 LEU 34 1.407 6.859 6.859 275 2HD1 LEU 34 3HD1 LEU 34 1.579 7.775 7.775 276 3HD1 LEU 34 1HD1 LEU 34 0.931 6.123 6.123 277 1HD2 LEU 34 3HD2 LEU 34 -2.219 8.215 8.215 278 2HD2 LEU 34 1HD2 LEU 34 -1.193 6.963 6.963 279 3HD2 LEU 34 2HD2 LEU 34 -0.638 8.649 8.649 280 H SER 35 H SER 35 1.961 10.367 10.367 281 HA SER 35 HA SER 35 3.565 10.208 10.208 282 1HB SER 35 1HB SER 35 4.319 9.912 9.912 283 2HB SER 35 2HB SER 35 5.501 9.962 9.962 284 HG SER 35 HG SER 35 4.414 8.225 8.225 285 H ALA 36 H ALA 36 5.026 12.012 12.012 286 HA ALA 36 HA ALA 36 5.642 14.342 14.342 287 1HB ALA 36 2HB ALA 36 3.272 14.981 14.981 288 2HB ALA 36 3HB ALA 36 3.369 15.159 15.159 289 3HB ALA 36 1HB ALA 36 4.352 16.198 16.198 290 H LYS 37 H LYS 37 4.865 13.987 13.987 291 HA LYS 37 HA LYS 37 7.590 14.905 14.905 292 1HB LYS 37 1HB LYS 37 5.537 15.421 15.421 293 2HB LYS 37 2HB LYS 37 5.271 13.723 13.723 294 1HG LYS 37 1HG LYS 37 7.883 15.174 15.174 295 2HG LYS 37 2HG LYS 37 6.420 15.302 15.302 296 1HD LYS 37 1HD LYS 37 6.351 12.810 12.810 297 2HD LYS 37 2HD LYS 37 7.834 12.631 12.631 298 1HE LYS 37 1HE LYS 37 9.080 14.085 14.085 299 2HE LYS 37 2HE LYS 37 7.600 14.241 14.241 300 1HZ LYS 37 1HZ LYS 37 8.980 11.670 11.670 301 2HZ LYS 37 2HZ LYS 37 9.014 12.469 12.469 302 3HZ LYS 37 3HZ LYS 37 7.600 11.814 11.814 303 H MET 38 H MET 38 5.775 11.774 11.774 304 HA MET 38 HA MET 38 8.048 10.089 10.089 305 1HB MET 38 1HB MET 38 5.717 9.217 9.217 306 2HB MET 38 2HB MET 38 6.883 8.166 8.166 307 1HG MET 38 1HG MET 38 4.728 9.827 9.827 308 2HG MET 38 2HG MET 38 4.801 8.082 8.082 309 1HE MET 38 1HE MET 38 6.366 6.439 6.439 310 2HE MET 38 3HE MET 38 7.840 7.173 7.173 311 3HE MET 38 2HE MET 38 7.697 6.990 6.990 312 H ARG 39 H ARG 39 7.280 11.507 11.507 313 HA ARG 39 HA ARG 39 9.256 9.898 9.898 314 1HB ARG 39 1HB ARG 39 8.229 12.705 12.705 315 2HB ARG 39 2HB ARG 39 9.233 11.710 11.710 316 1HG ARG 39 1HG ARG 39 6.332 11.223 11.223 317 2HG ARG 39 2HG ARG 39 6.977 11.581 11.581 318 1HD ARG 39 1HD ARG 39 7.300 8.940 8.940 319 2HD ARG 39 2HD ARG 39 6.232 9.216 9.216 320 HE ARG 39 HE ARG 39 9.301 9.021 9.021 321 1HH1 ARG 39 1HH1 ARG 39 6.220 9.146 9.146 322 2HH1 ARG 39 2HH1 ARG 39 7.083 8.629 8.629 323 1HH2 ARG 39 1HH2 ARG 39 10.159 8.429 8.429 324 2HH2 ARG 39 2HH2 ARG 39 9.161 8.252 8.252 325 H GLU 40 H GLU 40 9.646 12.912 12.912 326 HA GLU 40 HA GLU 40 12.518 13.318 13.318 327 1HB GLU 40 1HB GLU 40 10.908 14.077 14.077 328 2HB GLU 40 2HB GLU 40 12.559 14.584 14.584 329 1HG GLU 40 1HG GLU 40 11.868 15.865 15.865 330 2HG GLU 40 2HG GLU 40 10.203 15.316 15.316 331 H TRP 41 H TRP 41 10.825 11.481 11.481 332 HA TRP 41 HA TRP 41 13.191 10.252 10.252 333 1HB TRP 41 1HB TRP 41 10.989 10.442 10.442 334 2HB TRP 41 2HB TRP 41 10.228 9.425 9.425 335 HD1 TRP 41 HD1 TRP 41 12.207 9.230 9.230 336 HE1 TRP 41 HE1 TRP 41 12.235 6.760 6.760 337 HE3 TRP 41 HE3 TRP 41 10.503 6.996 6.996 338 HZ2 TRP 41 HZ2 TRP 41 11.478 4.236 4.236 339 HZ3 TRP 41 HZ3 TRP 41 10.138 4.538 4.538 340 HH2 TRP 41 HH2 TRP 41 10.623 3.189 3.189 341 H PHE 42 H PHE 42 11.227 9.142 9.142 342 HA PHE 42 HA PHE 42 12.667 6.560 6.560 343 1HB PHE 42 1HB PHE 42 10.964 8.132 8.132 344 2HB PHE 42 2HB PHE 42 11.805 6.695 6.695 345 HD1 PHE 42 HD1 PHE 42 11.439 4.501 4.501 346 HD2 PHE 42 HD2 PHE 42 8.674 7.784 7.784 347 HE1 PHE 42 HE1 PHE 42 9.579 3.006 3.006 348 HE2 PHE 42 HE2 PHE 42 6.844 6.294 6.294 349 HZ PHE 42 HZ PHE 42 7.283 3.898 3.898 350 H SER 43 H SER 43 13.271 9.789 9.789 351 HA SER 43 HA SER 43 15.715 8.943 8.943 352 1HB SER 43 1HB SER 43 15.923 11.275 11.275 353 2HB SER 43 2HB SER 43 14.341 10.606 10.606 354 HG SER 43 HG SER 43 14.969 12.263 12.263 355 H GLU 44 H GLU 44 16.579 8.063 8.063 356 HA GLU 44 HA GLU 44 18.460 9.248 9.248 357 1HB GLU 44 1HB GLU 44 16.811 10.844 10.844 358 2HB GLU 44 2HB GLU 44 15.606 9.599 9.599 359 1HG GLU 44 1HG GLU 44 17.168 8.569 8.569 360 2HG GLU 44 2HG GLU 44 18.166 10.010 10.010 361 H THR 45 H THR 45 15.463 7.336 7.336 362 HA THR 45 HA THR 45 17.034 5.138 5.138 363 HB THR 45 HB THR 45 14.024 5.603 5.603 364 HG1 THR 45 HG1 THR 45 15.929 6.305 6.305 365 1HG2 THR 45 1HG2 THR 45 15.679 3.854 3.854 366 2HG2 THR 45 2HG2 THR 45 13.982 4.325 4.325 367 3HG2 THR 45 3HG2 THR 45 14.401 3.311 3.311 368 H PHE 46 H PHE 46 15.910 5.437 5.437 369 HA PHE 46 HA PHE 46 14.870 2.616 2.616 370 1HB PHE 46 1HB PHE 46 13.776 4.488 4.488 371 2HB PHE 46 2HB PHE 46 15.172 4.612 4.612 372 HD1 PHE 46 HD1 PHE 46 12.264 2.497 2.497 373 HD2 PHE 46 HD2 PHE 46 15.481 2.898 2.898 374 HE1 PHE 46 HE1 PHE 46 11.244 0.773 0.773 375 HE2 PHE 46 HE2 PHE 46 14.440 1.168 1.168 376 HZ PHE 46 HZ PHE 46 12.329 0.092 0.092 377 H GLN 47 H GLN 47 16.192 1.437 1.437 378 HA GLN 47 HA GLN 47 18.574 0.410 0.410 379 1HB GLN 47 1HB GLN 47 20.500 1.219 1.219 380 2HB GLN 47 2HB GLN 47 19.849 2.366 2.366 381 1HG GLN 47 1HG GLN 47 18.753 3.654 3.654 382 2HG GLN 47 2HG GLN 47 19.482 2.532 2.532 383 1HE2 GLN 47 2HE2 GLN 47 21.804 5.510 5.510 384 2HE2 GLN 47 1HE2 GLN 47 20.066 5.244 5.244 385 H LYS 48 H LYS 48 17.515 1.351 1.351 386 HA LYS 48 HA LYS 48 17.810 -1.432 -1.432 387 1HB LYS 48 1HB LYS 48 18.067 0.598 0.598 388 2HB LYS 48 2HB LYS 48 16.388 1.037 1.037 389 1HG LYS 48 1HG LYS 48 15.667 -1.160 -1.160 390 2HG LYS 48 2HG LYS 48 17.362 -1.555 -1.555 391 1HD LYS 48 1HD LYS 48 17.601 0.541 0.541 392 2HD LYS 48 2HD LYS 48 15.932 0.966 0.966 393 1HE LYS 48 1HE LYS 48 16.778 -1.698 -1.698 394 2HE LYS 48 2HE LYS 48 16.419 -0.224 -0.224 395 1HZ LYS 48 1HZ LYS 48 14.169 -0.252 -0.252 396 2HZ LYS 48 2HZ LYS 48 14.492 -1.642 -1.642 397 3HZ LYS 48 3HZ LYS 48 14.494 -1.648 -1.648 398 H VAL 49 H VAL 49 15.017 0.713 0.713 399 HA VAL 49 HA VAL 49 12.922 -1.298 -1.298 400 HB VAL 49 HB VAL 49 12.848 0.876 0.876 401 1HG1 VAL 49 3HG1 VAL 49 10.936 -0.742 -0.742 402 2HG1 VAL 49 1HG1 VAL 49 10.588 -0.339 -0.339 403 3HG1 VAL 49 2HG1 VAL 49 10.386 0.883 0.883 404 1HG2 VAL 49 2HG2 VAL 49 12.205 1.427 1.427 405 2HG2 VAL 49 3HG2 VAL 49 13.491 2.184 2.184 406 3HG2 VAL 49 1HG2 VAL 49 11.799 2.508 2.508 407 H LYS 50 H LYS 50 15.091 -0.377 -0.377 408 HA LYS 50 HA LYS 50 13.961 -2.020 -2.020 409 1HB LYS 50 1HB LYS 50 15.496 -0.049 -0.049 410 2HB LYS 50 2HB LYS 50 16.815 -0.945 -0.945 411 1HG LYS 50 1HG LYS 50 16.857 -2.526 -2.526 412 2HG LYS 50 2HG LYS 50 15.496 -1.709 -1.709 413 1HD LYS 50 1HD LYS 50 16.841 0.408 0.408 414 2HD LYS 50 2HD LYS 50 18.145 -0.291 -0.291 415 1HE LYS 50 1HE LYS 50 18.841 -0.352 -0.352 416 2HE LYS 50 2HE LYS 50 18.576 -2.013 -2.013 417 1HZ LYS 50 2HZ LYS 50 16.668 -0.382 -0.382 418 2HZ LYS 50 3HZ LYS 50 17.633 -1.595 -1.595 419 3HZ LYS 50 1HZ LYS 50 16.401 -1.941 -1.941 420 H GLU 51 H GLU 51 16.554 -2.824 -2.824 421 HA GLU 51 HA GLU 51 17.021 -5.590 -5.590 422 1HB GLU 51 1HB GLU 51 17.607 -4.235 -4.235 423 2HB GLU 51 2HB GLU 51 18.030 -5.904 -5.904 424 1HG GLU 51 1HG GLU 51 19.507 -5.248 -5.248 425 2HG GLU 51 2HG GLU 51 19.085 -3.558 -3.558 426 H LYS 52 H LYS 52 14.387 -4.311 -4.311 427 HA LYS 52 HA LYS 52 13.534 -7.052 -7.052 428 1HB LYS 52 1HB LYS 52 12.209 -4.294 -4.294 429 2HB LYS 52 2HB LYS 52 11.379 -5.793 -5.793 430 1HG LYS 52 1HG LYS 52 12.095 -5.174 -5.174 431 2HG LYS 52 2HG LYS 52 13.205 -6.460 -6.460 432 1HD LYS 52 1HD LYS 52 14.968 -4.687 -4.687 433 2HD LYS 52 2HD LYS 52 13.793 -3.436 -3.436 434 1HE LYS 52 1HE LYS 52 15.246 -3.609 -3.609 435 2HE LYS 52 2HE LYS 52 13.699 -4.281 -4.281 436 1HZ LYS 52 2HZ LYS 52 16.085 -5.869 -5.869 437 2HZ LYS 52 3HZ LYS 52 15.556 -5.663 -5.663 438 3HZ LYS 52 1HZ LYS 52 14.642 -6.521 -6.521 439 H LEU 53 H LEU 53 12.426 -4.601 -4.601 440 HA LEU 53 HA LEU 53 10.266 -6.195 -6.195 441 1HB LEU 53 1HB LEU 53 11.978 -3.899 -3.899 442 2HB LEU 53 2HB LEU 53 10.654 -4.539 -4.539 443 HG LEU 53 HG LEU 53 10.291 -3.336 -3.336 444 1HD1 LEU 53 3HD2 LEU 53 11.191 -1.615 -1.615 445 2HD1 LEU 53 1HD2 LEU 53 9.899 -1.954 -1.954 446 3HD1 LEU 53 2HD2 LEU 53 9.503 -1.264 -1.264 447 1HD2 LEU 53 1HD1 LEU 53 8.193 -3.973 -3.973 448 2HD2 LEU 53 2HD1 LEU 53 8.401 -4.852 -4.852 449 3HD2 LEU 53 3HD1 LEU 53 7.869 -3.162 -3.162 450 H LYS 54 H LYS 54 13.619 -5.736 -5.736 451 HA LYS 54 HA LYS 54 13.464 -7.745 -7.745 452 1HB LYS 54 1HB LYS 54 15.042 -5.718 -5.718 453 2HB LYS 54 2HB LYS 54 16.002 -6.548 -6.548 454 1HG LYS 54 1HG LYS 54 16.367 -8.440 -8.440 455 2HG LYS 54 2HG LYS 54 15.489 -7.495 -7.495 456 1HD LYS 54 1HD LYS 54 18.087 -6.633 -6.633 457 2HD LYS 54 2HD LYS 54 18.003 -7.362 -7.362 458 1HE LYS 54 1HE LYS 54 16.651 -5.364 -5.364 459 2HE LYS 54 2HE LYS 54 16.805 -4.606 -4.606 460 1HZ LYS 54 3HZ LYS 54 19.228 -4.648 -4.648 461 2HZ LYS 54 1HZ LYS 54 19.087 -5.351 -5.351 462 3HZ LYS 54 2HZ LYS 54 18.510 -3.823 -3.823 463 H ILE 55 H ILE 55 14.390 -7.992 -7.992 464 HA ILE 55 HA ILE 55 15.187 -9.668 -9.668 465 HB ILE 55 HB ILE 55 14.383 -11.672 -11.672 466 1HG1 ILE 55 1HG1 ILE 55 12.453 -10.335 -10.335 467 2HG1 ILE 55 2HG1 ILE 55 12.340 -12.022 -12.022 468 1HG2 ILE 55 3HG2 ILE 55 15.166 -12.229 -12.229 469 2HG2 ILE 55 1HG2 ILE 55 14.407 -13.398 -13.398 470 3HG2 ILE 55 2HG2 ILE 55 16.024 -12.765 -12.765 471 1HD1 ILE 55 1HD1 ILE 55 13.132 -9.838 -9.838 472 2HD1 ILE 55 2HD1 ILE 55 11.528 -10.586 -10.586 473 3HD1 ILE 55 3HD1 ILE 55 12.910 -11.567 -11.567 474 H ASP 56 H ASP 56 17.189 -9.122 -9.122 475 HA ASP 56 HA ASP 56 19.295 -9.316 -9.316 476 1HB ASP 56 1HB ASP 56 19.146 -7.572 -7.572 477 2HB ASP 56 2HB ASP 56 19.605 -8.763 -8.763 478 H SER 57 H SER 57 19.478 -10.982 -10.982 479 HA SER 57 HA SER 57 21.018 -13.256 -13.256 480 1HB SER 57 1HB SER 57 21.756 -12.268 -12.268 481 2HB SER 57 2HB SER 57 20.245 -12.784 -12.784 482 HG SER 57 HG SER 57 21.939 -14.257 -14.257 Start of MODEL 10 1 1H THR 1 2H THR 1 -45.620 -7.616 -7.616 2 2H THR 1 3H THR 1 -46.860 -6.568 -6.568 3 3H THR 1 1H THR 1 -46.984 -8.150 -8.150 4 HA THR 1 HA THR 1 -45.209 -7.934 -7.934 5 HB THR 1 HB THR 1 -47.433 -7.726 -7.726 6 HG1 THR 1 HG1 THR 1 -46.986 -6.466 -6.466 7 1HG2 THR 1 2HG2 THR 1 -48.341 -5.824 -5.824 8 2HG2 THR 1 3HG2 THR 1 -47.350 -4.675 -4.675 9 3HG2 THR 1 1HG2 THR 1 -48.630 -5.608 -5.608 10 HA PRO 2 HA PRO 2 -42.913 -4.111 -4.111 11 1HB PRO 2 1HB PRO 2 -40.566 -5.259 -5.259 12 2HB PRO 2 2HB PRO 2 -42.059 -5.372 -5.372 13 1HG PRO 2 1HG PRO 2 -40.843 -7.498 -7.498 14 2HG PRO 2 2HG PRO 2 -41.567 -7.683 -7.683 15 1HD PRO 2 1HD PRO 2 -42.915 -8.226 -8.226 16 2HD PRO 2 2HD PRO 2 -43.797 -7.719 -7.719 17 H ASP 3 H ASP 3 -42.750 -3.225 -3.225 18 HA ASP 3 HA ASP 3 -40.960 -4.380 -4.380 19 1HB ASP 3 1HB ASP 3 -42.956 -2.031 -2.031 20 2HB ASP 3 2HB ASP 3 -41.986 -2.583 -2.583 21 H VAL 4 H VAL 4 -38.979 -3.828 -3.828 22 HA VAL 4 HA VAL 4 -37.978 -1.024 -1.024 23 HB VAL 4 HB VAL 4 -38.034 -2.327 -2.327 24 1HG1 VAL 4 1HG1 VAL 4 -37.530 -4.669 -4.669 25 2HG1 VAL 4 2HG1 VAL 4 -35.829 -4.216 -4.216 26 3HG1 VAL 4 3HG1 VAL 4 -36.547 -4.135 -4.135 27 1HG2 VAL 4 2HG2 VAL 4 -36.457 -0.451 -0.451 28 2HG2 VAL 4 3HG2 VAL 4 -35.779 -1.690 -1.690 29 3HG2 VAL 4 1HG2 VAL 4 -35.206 -1.558 -1.558 30 H SER 5 H SER 5 -35.559 -3.285 -3.285 31 HA SER 5 HA SER 5 -33.706 -3.278 -3.278 32 1HB SER 5 1HB SER 5 -35.748 -3.382 -3.382 33 2HB SER 5 2HB SER 5 -34.014 -3.677 -3.677 34 HG SER 5 HG SER 5 -35.792 -5.100 -5.100 35 H SER 6 H SER 6 -34.071 -0.964 -0.964 36 HA SER 6 HA SER 6 -32.857 1.039 1.039 37 1HB SER 6 1HB SER 6 -35.629 1.659 1.659 38 2HB SER 6 2HB SER 6 -34.532 2.856 2.856 39 HG SER 6 HG SER 6 -36.057 2.074 2.074 40 H ALA 7 H ALA 7 -34.598 1.071 1.071 41 HA ALA 7 HA ALA 7 -32.272 2.261 2.261 42 1HB ALA 7 2HB ALA 7 -34.569 2.548 2.548 43 2HB ALA 7 3HB ALA 7 -34.730 0.789 0.789 44 3HB ALA 7 1HB ALA 7 -33.527 1.709 1.709 45 H LEU 8 H LEU 8 -33.535 -1.065 -1.065 46 HA LEU 8 HA LEU 8 -31.255 -2.462 -2.462 47 1HB LEU 8 1HB LEU 8 -33.556 -3.412 -3.412 48 2HB LEU 8 2HB LEU 8 -33.324 -3.393 -3.393 49 HG LEU 8 HG LEU 8 -33.223 -5.601 -5.601 50 1HD1 LEU 8 2HD1 LEU 8 -32.298 -5.347 -5.347 51 2HD1 LEU 8 3HD1 LEU 8 -30.673 -5.089 -5.089 52 3HD1 LEU 8 1HD1 LEU 8 -31.505 -6.636 -6.636 53 1HD2 LEU 8 3HD2 LEU 8 -31.908 -4.980 -4.980 54 2HD2 LEU 8 1HD2 LEU 8 -31.223 -6.392 -6.392 55 3HD2 LEU 8 2HD2 LEU 8 -30.439 -4.803 -4.803 56 H ASP 9 H ASP 9 -31.774 -1.301 -1.301 57 HA ASP 9 HA ASP 9 -29.399 -2.405 -2.405 58 1HB ASP 9 1HB ASP 9 -31.355 -1.000 -1.000 59 2HB ASP 9 2HB ASP 9 -30.460 0.413 0.413 60 H LYS 10 H LYS 10 -29.712 0.738 0.738 61 HA LYS 10 HA LYS 10 -26.681 0.789 0.789 62 1HB LYS 10 1HB LYS 10 -28.776 2.993 2.993 63 2HB LYS 10 2HB LYS 10 -27.114 3.098 3.098 64 1HG LYS 10 1HG LYS 10 -26.255 2.803 2.803 65 2HG LYS 10 2HG LYS 10 -27.915 2.737 2.737 66 1HD LYS 10 1HD LYS 10 -28.325 5.083 5.083 67 2HD LYS 10 2HD LYS 10 -26.671 5.116 5.116 68 1HE LYS 10 1HE LYS 10 -26.669 6.372 6.372 69 2HE LYS 10 2HE LYS 10 -25.808 4.876 4.876 70 1HZ LYS 10 2HZ LYS 10 -28.655 5.439 5.439 71 2HZ LYS 10 3HZ LYS 10 -27.377 5.437 5.437 72 3HZ LYS 10 1HZ LYS 10 -27.864 4.028 4.028 73 H LEU 11 H LEU 11 -27.576 -1.288 -1.288 74 HA LEU 11 HA LEU 11 -27.021 -0.507 -0.507 75 1HB LEU 11 1HB LEU 11 -29.460 -1.181 -1.181 76 2HB LEU 11 2HB LEU 11 -28.960 -2.744 -2.744 77 HG LEU 11 HG LEU 11 -27.766 -3.176 -3.176 78 1HD1 LEU 11 3HD2 LEU 11 -29.222 -0.602 -0.602 79 2HD1 LEU 11 1HD2 LEU 11 -28.410 -1.771 -1.771 80 3HD1 LEU 11 2HD2 LEU 11 -27.459 -0.832 -0.832 81 1HD2 LEU 11 2HD1 LEU 11 -30.020 -4.121 -4.121 82 2HD2 LEU 11 3HD1 LEU 11 -29.881 -3.693 -3.693 83 3HD2 LEU 11 1HD1 LEU 11 -30.807 -2.644 -2.644 84 H LYS 12 H LYS 12 -27.190 -3.565 -3.565 85 HA LYS 12 HA LYS 12 -24.597 -4.530 -4.530 86 1HB LYS 12 1HB LYS 12 -24.756 -6.389 -6.389 87 2HB LYS 12 2HB LYS 12 -26.370 -6.081 -6.081 88 1HG LYS 12 1HG LYS 12 -25.285 -5.567 -5.567 89 2HG LYS 12 2HG LYS 12 -26.292 -6.905 -6.905 90 1HD LYS 12 1HD LYS 12 -28.191 -5.349 -5.349 91 2HD LYS 12 2HD LYS 12 -27.227 -3.961 -3.961 92 1HE LYS 12 1HE LYS 12 -27.954 -6.283 -6.283 93 2HE LYS 12 2HE LYS 12 -28.882 -4.795 -4.795 94 1HZ LYS 12 1HZ LYS 12 -26.933 -3.529 -3.529 95 2HZ LYS 12 2HZ LYS 12 -26.042 -4.910 -4.910 96 3HZ LYS 12 3HZ LYS 12 -27.351 -4.653 -4.653 97 H GLU 13 H GLU 13 -25.422 -2.965 -2.965 98 HA GLU 13 HA GLU 13 -22.466 -2.467 -2.467 99 1HB GLU 13 1HB GLU 13 -23.876 -3.452 -3.452 100 2HB GLU 13 2HB GLU 13 -24.869 -2.011 -2.011 101 1HG GLU 13 1HG GLU 13 -23.326 -1.907 -1.907 102 2HG GLU 13 2HG GLU 13 -22.889 -0.629 -0.629 103 H PHE 14 H PHE 14 -22.464 -1.125 -1.125 104 HA PHE 14 HA PHE 14 -22.703 1.737 1.737 105 1HB PHE 14 1HB PHE 14 -25.042 1.350 1.350 106 2HB PHE 14 2HB PHE 14 -24.520 0.776 0.776 107 HD1 PHE 14 HD2 PHE 14 -24.538 3.763 3.763 108 HD2 PHE 14 HD1 PHE 14 -24.042 2.430 2.430 109 HE1 PHE 14 HE2 PHE 14 -24.635 6.093 6.093 110 HE2 PHE 14 HE1 PHE 14 -24.138 4.767 4.767 111 HZ PHE 14 HZ PHE 14 -24.434 6.600 6.600 112 H GLY 15 H GLY 15 -22.121 -0.537 -0.537 113 1HA GLY 15 1HA GLY 15 -19.675 0.932 0.932 114 2HA GLY 15 2HA GLY 15 -20.133 -0.683 -0.683 115 H ASN 16 H ASN 16 -20.373 -1.943 -1.943 116 HA ASN 16 HA ASN 16 -17.648 -2.437 -2.437 117 1HB ASN 16 1HB ASN 16 -19.641 -4.027 -4.027 118 2HB ASN 16 2HB ASN 16 -20.291 -3.030 -3.030 119 1HD2 ASN 16 1HD2 ASN 16 -17.134 -5.561 -5.561 120 2HD2 ASN 16 2HD2 ASN 16 -17.576 -5.137 -5.137 121 H THR 17 H THR 17 -19.999 0.040 0.040 122 HA THR 17 HA THR 17 -18.787 0.634 0.634 123 HB THR 17 HB THR 17 -20.467 2.450 2.450 124 HG1 THR 17 HG1 THR 17 -22.107 1.724 1.724 125 1HG2 THR 17 3HG2 THR 17 -19.952 2.659 2.659 126 2HG2 THR 17 1HG2 THR 17 -21.130 3.622 3.622 127 3HG2 THR 17 2HG2 THR 17 -19.388 3.818 3.818 128 H LEU 18 H LEU 18 -18.324 2.495 2.495 129 HA LEU 18 HA LEU 18 -15.833 3.695 3.695 130 1HB LEU 18 1HB LEU 18 -15.657 5.141 5.141 131 2HB LEU 18 2HB LEU 18 -17.350 5.104 5.104 132 HG LEU 18 HG LEU 18 -16.059 3.630 3.630 133 1HD1 LEU 18 1HD2 LEU 18 -15.867 6.112 6.112 134 2HD1 LEU 18 2HD2 LEU 18 -17.619 6.297 6.297 135 3HD1 LEU 18 3HD2 LEU 18 -17.009 5.459 5.459 136 1HD2 LEU 18 1HD1 LEU 18 -19.058 4.097 4.097 137 2HD2 LEU 18 2HD1 LEU 18 -18.212 2.530 2.530 138 3HD2 LEU 18 3HD1 LEU 18 -18.407 3.421 3.421 139 H GLU 19 H GLU 19 -16.117 0.790 0.790 140 HA GLU 19 HA GLU 19 -13.414 0.436 0.436 141 1HB GLU 19 1HB GLU 19 -15.318 -1.085 -1.085 142 2HB GLU 19 2HB GLU 19 -15.306 -1.743 -1.743 143 1HG GLU 19 1HG GLU 19 -12.914 -1.866 -1.866 144 2HG GLU 19 2HG GLU 19 -14.150 -3.101 -3.101 145 H ASP 20 H ASP 20 -15.027 -0.637 -0.637 146 HA ASP 20 HA ASP 20 -12.550 -1.161 -1.161 147 1HB ASP 20 1HB ASP 20 -14.806 -2.132 -2.132 148 2HB ASP 20 2HB ASP 20 -15.357 -0.561 -0.561 149 H LYS 21 H LYS 21 -14.632 1.849 1.849 150 HA LYS 21 HA LYS 21 -13.042 3.389 3.389 151 1HB LYS 21 1HB LYS 21 -15.354 3.812 3.812 152 2HB LYS 21 2HB LYS 21 -14.488 4.390 4.390 153 1HG LYS 21 1HG LYS 21 -13.467 6.242 6.242 154 2HG LYS 21 2HG LYS 21 -14.242 5.567 5.567 155 1HD LYS 21 1HD LYS 21 -15.716 7.296 7.296 156 2HD LYS 21 2HD LYS 21 -16.513 5.817 5.817 157 1HE LYS 21 1HE LYS 21 -16.852 7.445 7.445 158 2HE LYS 21 2HE LYS 21 -15.775 6.214 6.214 159 1HZ LYS 21 2HZ LYS 21 -14.923 8.880 8.880 160 2HZ LYS 21 3HZ LYS 21 -15.017 8.441 8.441 161 3HZ LYS 21 1HZ LYS 21 -13.897 7.735 7.735 162 H ALA 22 H ALA 22 -12.570 3.200 3.200 163 HA ALA 22 HA ALA 22 -10.166 4.906 4.906 164 1HB ALA 22 2HB ALA 22 -11.573 4.522 4.522 165 2HB ALA 22 3HB ALA 22 -11.130 2.793 2.793 166 3HB ALA 22 1HB ALA 22 -9.889 4.039 4.039 167 H ARG 23 H ARG 23 -10.522 1.350 1.350 168 HA ARG 23 HA ARG 23 -7.692 0.614 0.614 169 1HB ARG 23 1HB ARG 23 -9.581 -0.911 -0.911 170 2HB ARG 23 2HB ARG 23 -10.132 -0.762 -0.762 171 1HG ARG 23 1HG ARG 23 -8.026 -1.913 -1.913 172 2HG ARG 23 2HG ARG 23 -7.383 -1.903 -1.903 173 1HD ARG 23 1HD ARG 23 -8.229 -4.137 -4.137 174 2HD ARG 23 2HD ARG 23 -9.232 -3.403 -3.403 175 HE ARG 23 HE ARG 23 -10.382 -2.973 -2.973 176 1HH1 ARG 23 1HH1 ARG 23 -10.132 -5.406 -5.406 177 2HH1 ARG 23 2HH1 ARG 23 -11.706 -6.176 -6.176 178 1HH2 ARG 23 1HH2 ARG 23 -12.178 -3.930 -3.930 179 2HH2 ARG 23 2HH2 ARG 23 -12.784 -5.394 -5.394 180 H GLU 24 H GLU 24 -9.845 1.369 1.369 181 HA GLU 24 HA GLU 24 -7.802 1.176 1.176 182 1HB GLU 24 1HB GLU 24 -10.452 2.737 2.737 183 2HB GLU 24 2HB GLU 24 -9.441 2.673 2.673 184 1HG GLU 24 1HG GLU 24 -9.702 0.234 0.234 185 2HG GLU 24 2HG GLU 24 -10.564 0.111 0.111 186 H LEU 25 H LEU 25 -8.822 3.986 3.986 187 HA LEU 25 HA LEU 25 -7.111 5.930 5.930 188 1HB LEU 25 2HB LEU 25 -8.836 6.062 6.062 189 2HB LEU 25 1HB LEU 25 -7.530 7.203 7.203 190 HG LEU 25 HG LEU 25 -8.332 8.056 8.056 191 1HD1 LEU 25 1HD1 LEU 25 -9.652 6.074 6.074 192 2HD1 LEU 25 2HD1 LEU 25 -10.886 6.359 6.359 193 3HD1 LEU 25 3HD1 LEU 25 -10.595 7.572 7.572 194 1HD2 LEU 25 3HD2 LEU 25 -8.967 9.178 9.178 195 2HD2 LEU 25 1HD2 LEU 25 -10.256 9.347 9.347 196 3HD2 LEU 25 2HD2 LEU 25 -10.432 8.172 8.172 197 H ILE 26 H ILE 26 -6.682 4.319 4.319 198 HA ILE 26 HA ILE 26 -4.022 5.438 5.438 199 HB ILE 26 HB ILE 26 -5.522 3.106 3.106 200 1HG1 ILE 26 1HG1 ILE 26 -4.734 5.858 5.858 201 2HG1 ILE 26 2HG1 ILE 26 -6.232 5.623 5.623 202 1HG2 ILE 26 3HG2 ILE 26 -2.778 4.168 4.168 203 2HG2 ILE 26 1HG2 ILE 26 -3.819 3.072 3.072 204 3HG2 ILE 26 2HG2 ILE 26 -3.136 2.530 2.530 205 1HD1 ILE 26 2HD1 ILE 26 -6.980 3.866 3.866 206 2HD1 ILE 26 3HD1 ILE 26 -5.511 4.178 4.178 207 3HD1 ILE 26 1HD1 ILE 26 -6.711 5.471 5.471 208 H SER 27 H SER 27 -4.890 2.189 2.189 209 HA SER 27 HA SER 27 -2.143 1.283 1.283 210 1HB SER 27 1HB SER 27 -4.671 0.455 0.455 211 2HB SER 27 2HB SER 27 -3.110 -0.365 -0.365 212 HG SER 27 HG SER 27 -4.496 -1.302 -1.302 213 H ARG 28 H ARG 28 -4.174 3.259 3.259 214 HA ARG 28 HA ARG 28 -2.262 3.330 3.330 215 1HB ARG 28 1HB ARG 28 -4.755 3.654 3.654 216 2HB ARG 28 2HB ARG 28 -4.648 5.148 5.148 217 1HG ARG 28 1HG ARG 28 -3.161 6.124 6.124 218 2HG ARG 28 2HG ARG 28 -3.273 4.597 4.597 219 1HD ARG 28 1HD ARG 28 -4.836 6.104 6.104 220 2HD ARG 28 2HD ARG 28 -5.785 4.877 4.877 221 HE ARG 28 HE ARG 28 -5.406 7.794 7.794 222 1HH1 ARG 28 1HH1 ARG 28 -7.255 4.775 4.775 223 2HH1 ARG 28 2HH1 ARG 28 -8.508 5.657 5.657 224 1HH2 ARG 28 1HH2 ARG 28 -6.886 8.683 8.683 225 2HH2 ARG 28 2HH2 ARG 28 -8.311 7.718 7.718 226 H ILE 29 H ILE 29 -2.938 5.412 5.412 227 HA ILE 29 HA ILE 29 -0.967 7.544 7.544 228 HB ILE 29 HB ILE 29 -2.754 7.000 7.000 229 1HG1 ILE 29 1HG1 ILE 29 -3.895 7.862 7.862 230 2HG1 ILE 29 2HG1 ILE 29 -3.975 8.971 8.971 231 1HG2 ILE 29 2HG2 ILE 29 -0.798 9.353 9.353 232 2HG2 ILE 29 3HG2 ILE 29 -2.188 9.229 9.229 233 3HG2 ILE 29 1HG2 ILE 29 -0.861 8.086 8.086 234 1HD1 ILE 29 3HD1 ILE 29 -2.174 10.413 10.413 235 2HD1 ILE 29 1HD1 ILE 29 -2.132 9.281 9.281 236 3HD1 ILE 29 2HD1 ILE 29 -3.613 10.200 10.200 237 H LYS 30 H LYS 30 -0.840 5.870 5.870 238 HA LYS 30 HA LYS 30 1.003 5.328 5.328 239 1HB LYS 30 1HB LYS 30 2.077 4.004 4.004 240 2HB LYS 30 2HB LYS 30 2.769 3.757 3.757 241 1HG LYS 30 1HG LYS 30 -0.065 2.914 2.914 242 2HG LYS 30 2HG LYS 30 1.343 1.881 1.881 243 1HD LYS 30 1HD LYS 30 1.521 2.416 2.416 244 2HD LYS 30 2HD LYS 30 0.054 3.393 3.393 245 1HE LYS 30 1HE LYS 30 -1.275 1.379 1.379 246 2HE LYS 30 2HE LYS 30 0.182 0.373 0.373 247 1HZ LYS 30 2HZ LYS 30 -1.005 1.811 1.811 248 2HZ LYS 30 3HZ LYS 30 -1.106 0.189 0.189 249 3HZ LYS 30 1HZ LYS 30 0.356 0.875 0.875 250 H GLN 31 H GLN 31 1.290 7.916 7.916 251 HA GLN 31 HA GLN 31 4.224 8.472 8.472 252 1HB GLN 31 1HB GLN 31 2.828 8.773 8.773 253 2HB GLN 31 2HB GLN 31 4.379 9.514 9.514 254 1HG GLN 31 1HG GLN 31 5.422 7.274 7.274 255 2HG GLN 31 2HG GLN 31 3.901 6.476 6.476 256 1HE2 GLN 31 2HE2 GLN 31 4.259 6.777 6.777 257 2HE2 GLN 31 1HE2 GLN 31 3.161 6.353 6.353 258 H SER 32 H SER 32 1.162 9.773 9.773 259 HA SER 32 HA SER 32 2.061 12.597 12.597 260 1HB SER 32 1HB SER 32 0.185 12.020 12.020 261 2HB SER 32 2HB SER 32 0.514 13.619 13.619 262 HG SER 32 HG SER 32 2.727 13.273 13.273 263 H GLU 33 H GLU 33 1.218 12.744 12.744 264 HA GLU 33 HA GLU 33 -0.259 13.093 13.093 265 1HB GLU 33 1HB GLU 33 -1.685 14.245 14.245 266 2HB GLU 33 2HB GLU 33 -2.697 12.810 12.810 267 1HG GLU 33 1HG GLU 33 -3.230 13.199 13.199 268 2HG GLU 33 2HG GLU 33 -2.143 14.585 14.585 269 H LEU 34 H LEU 34 -0.347 10.141 10.141 270 HA LEU 34 HA LEU 34 -1.342 8.704 8.704 271 1HB LEU 34 1HB LEU 34 -1.684 7.510 7.510 272 2HB LEU 34 2HB LEU 34 0.014 7.602 7.602 273 HG LEU 34 HG LEU 34 -0.826 5.385 5.385 274 1HD1 LEU 34 2HD1 LEU 34 1.654 5.965 5.965 275 2HD1 LEU 34 3HD1 LEU 34 1.407 6.215 6.215 276 3HD1 LEU 34 1HD1 LEU 34 1.095 4.623 4.623 277 1HD2 LEU 34 3HD2 LEU 34 -2.405 6.061 6.061 278 2HD2 LEU 34 1HD2 LEU 34 -1.269 4.798 4.798 279 3HD2 LEU 34 2HD2 LEU 34 -1.020 6.483 6.483 280 H SER 35 H SER 35 1.566 9.594 9.594 281 HA SER 35 HA SER 35 3.410 8.794 8.794 282 1HB SER 35 1HB SER 35 3.965 9.580 9.580 283 2HB SER 35 2HB SER 35 5.220 9.281 9.281 284 HG SER 35 HG SER 35 4.336 7.203 7.203 285 H ALA 36 H ALA 36 4.468 11.460 11.460 286 HA ALA 36 HA ALA 36 5.099 13.704 13.704 287 1HB ALA 36 2HB ALA 36 2.716 14.219 14.219 288 2HB ALA 36 3HB ALA 36 2.731 13.781 13.781 289 3HB ALA 36 1HB ALA 36 3.714 15.144 15.144 290 H LYS 37 H LYS 37 4.234 12.203 12.203 291 HA LYS 37 HA LYS 37 6.900 12.936 12.936 292 1HB LYS 37 1HB LYS 37 4.636 11.240 11.240 293 2HB LYS 37 2HB LYS 37 6.112 11.674 11.674 294 1HG LYS 37 1HG LYS 37 3.906 13.645 13.645 295 2HG LYS 37 2HG LYS 37 4.189 13.000 13.000 296 1HD LYS 37 1HD LYS 37 5.188 15.022 15.022 297 2HD LYS 37 2HD LYS 37 6.609 14.111 14.111 298 1HE LYS 37 1HE LYS 37 6.308 15.048 15.048 299 2HE LYS 37 2HE LYS 37 4.895 15.941 15.941 300 1HZ LYS 37 3HZ LYS 37 6.348 17.122 17.122 301 2HZ LYS 37 1HZ LYS 37 7.667 16.277 16.277 302 3HZ LYS 37 2HZ LYS 37 6.885 17.308 17.308 303 H MET 38 H MET 38 5.336 9.966 9.966 304 HA MET 38 HA MET 38 7.707 8.242 8.242 305 1HB MET 38 1HB MET 38 5.569 7.929 7.929 306 2HB MET 38 2HB MET 38 6.810 6.775 6.775 307 1HG MET 38 1HG MET 38 4.446 7.550 7.550 308 2HG MET 38 2HG MET 38 4.729 6.028 6.028 309 1HE MET 38 1HE MET 38 6.593 4.216 4.216 310 2HE MET 38 3HE MET 38 7.965 5.363 5.363 311 3HE MET 38 2HE MET 38 7.721 4.403 4.403 312 H ARG 39 H ARG 39 6.875 10.556 10.556 313 HA ARG 39 HA ARG 39 9.102 9.931 9.931 314 1HB ARG 39 1HB ARG 39 7.863 12.696 12.696 315 2HB ARG 39 2HB ARG 39 8.962 12.320 12.320 316 1HG ARG 39 1HG ARG 39 6.109 11.206 11.206 317 2HG ARG 39 2HG ARG 39 6.632 12.520 12.520 318 1HD ARG 39 1HD ARG 39 6.524 10.844 10.844 319 2HD ARG 39 2HD ARG 39 8.247 10.805 10.805 320 HE ARG 39 HE ARG 39 6.665 8.904 8.904 321 1HH1 ARG 39 1HH1 ARG 39 8.121 9.241 9.241 322 2HH1 ARG 39 2HH1 ARG 39 8.048 7.422 7.422 323 1HH2 ARG 39 1HH2 ARG 39 6.627 6.853 6.853 324 2HH2 ARG 39 2HH2 ARG 39 7.259 6.165 6.165 325 H GLU 40 H GLU 40 9.012 12.245 12.245 326 HA GLU 40 HA GLU 40 11.863 12.949 12.949 327 1HB GLU 40 1HB GLU 40 9.905 13.024 13.024 328 2HB GLU 40 2HB GLU 40 11.517 13.698 13.698 329 1HG GLU 40 1HG GLU 40 9.279 14.660 14.660 330 2HG GLU 40 2HG GLU 40 9.722 15.410 15.410 331 H TRP 41 H TRP 41 10.134 10.359 10.359 332 HA TRP 41 HA TRP 41 12.474 9.316 9.316 333 1HB TRP 41 1HB TRP 41 10.095 8.931 8.931 334 2HB TRP 41 2HB TRP 41 9.824 7.929 7.929 335 HD1 TRP 41 HD1 TRP 41 11.361 7.838 7.838 336 HE1 TRP 41 HE1 TRP 41 12.070 5.390 5.390 337 HE3 TRP 41 HE3 TRP 41 10.852 5.771 5.771 338 HZ2 TRP 41 HZ2 TRP 41 12.320 2.939 2.939 339 HZ3 TRP 41 HZ3 TRP 41 11.373 3.354 3.354 340 HH2 TRP 41 HH2 TRP 41 12.095 1.974 1.974 341 H PHE 42 H PHE 42 11.205 8.500 8.500 342 HA PHE 42 HA PHE 42 12.987 6.123 6.123 343 1HB PHE 42 1HB PHE 42 11.442 7.785 7.785 344 2HB PHE 42 2HB PHE 42 12.439 6.421 6.421 345 HD1 PHE 42 HD1 PHE 42 11.917 4.149 4.149 346 HD2 PHE 42 HD2 PHE 42 9.117 7.206 7.206 347 HE1 PHE 42 HE1 PHE 42 10.057 2.576 2.576 348 HE2 PHE 42 HE2 PHE 42 7.274 5.619 5.619 349 HZ PHE 42 HZ PHE 42 7.733 3.304 3.304 350 H SER 43 H SER 43 13.349 9.539 9.539 351 HA SER 43 HA SER 43 15.991 9.415 9.415 352 1HB SER 43 1HB SER 43 14.663 11.783 11.783 353 2HB SER 43 2HB SER 43 16.186 11.861 11.861 354 HG SER 43 HG SER 43 14.415 12.466 12.466 355 H GLU 44 H GLU 44 14.950 10.067 10.067 356 HA GLU 44 HA GLU 44 17.513 10.151 10.151 357 1HB GLU 44 1HB GLU 44 15.131 10.716 10.716 358 2HB GLU 44 2HB GLU 44 14.917 8.989 8.989 359 1HG GLU 44 1HG GLU 44 17.017 9.080 9.080 360 2HG GLU 44 2HG GLU 44 16.989 10.829 10.829 361 H THR 45 H THR 45 15.540 7.251 7.251 362 HA THR 45 HA THR 45 17.478 5.396 5.396 363 HB THR 45 HB THR 45 14.924 4.788 4.788 364 HG1 THR 45 HG1 THR 45 14.074 4.568 4.568 365 1HG2 THR 45 3HG2 THR 45 16.511 2.974 2.974 366 2HG2 THR 45 1HG2 THR 45 14.897 2.616 2.616 367 3HG2 THR 45 2HG2 THR 45 16.298 2.708 2.708 368 H PHE 46 H PHE 46 16.481 5.945 5.945 369 HA PHE 46 HA PHE 46 18.476 3.958 3.958 370 1HB PHE 46 1HB PHE 46 16.277 4.407 4.407 371 2HB PHE 46 2HB PHE 46 16.926 5.904 5.904 372 HD1 PHE 46 HD2 PHE 46 17.268 2.162 2.162 373 HD2 PHE 46 HD1 PHE 46 18.305 5.784 5.784 374 HE1 PHE 46 HE2 PHE 46 18.146 0.844 0.844 375 HE2 PHE 46 HE1 PHE 46 19.157 4.441 4.441 376 HZ PHE 46 HZ PHE 46 19.094 1.976 1.976 377 H GLN 47 H GLN 47 20.150 4.462 4.462 378 HA GLN 47 HA GLN 47 22.253 6.212 6.212 379 1HB GLN 47 1HB GLN 47 22.709 7.808 7.808 380 2HB GLN 47 2HB GLN 47 21.344 8.213 8.213 381 1HG GLN 47 1HG GLN 47 19.722 7.626 7.626 382 2HG GLN 47 2HG GLN 47 21.000 7.022 7.022 383 1HE2 GLN 47 2HE2 GLN 47 20.441 11.088 11.088 384 2HE2 GLN 47 1HE2 GLN 47 19.580 9.954 9.954 385 H LYS 48 H LYS 48 21.091 4.942 4.942 386 HA LYS 48 HA LYS 48 23.642 3.427 3.427 387 1HB LYS 48 1HB LYS 48 20.906 3.323 3.323 388 2HB LYS 48 2HB LYS 48 22.150 2.136 2.136 389 1HG LYS 48 1HG LYS 48 22.442 3.615 3.615 390 2HG LYS 48 2HG LYS 48 23.789 3.909 3.909 391 1HD LYS 48 1HD LYS 48 23.060 6.007 6.007 392 2HD LYS 48 2HD LYS 48 22.674 6.031 6.031 393 1HE LYS 48 1HE LYS 48 20.245 5.586 5.586 394 2HE LYS 48 2HE LYS 48 20.607 5.355 5.355 395 1HZ LYS 48 1HZ LYS 48 21.352 7.674 7.674 396 2HZ LYS 48 2HZ LYS 48 21.014 7.896 7.896 397 3HZ LYS 48 3HZ LYS 48 19.792 7.583 7.583 398 H VAL 49 H VAL 49 20.348 2.577 2.577 399 HA VAL 49 HA VAL 49 20.971 -0.184 -0.184 400 HB VAL 49 HB VAL 49 18.969 1.579 1.579 401 1HG1 VAL 49 1HG1 VAL 49 19.318 -0.628 -0.628 402 2HG1 VAL 49 2HG1 VAL 49 18.960 -1.479 -1.479 403 3HG1 VAL 49 3HG1 VAL 49 17.692 -0.546 -0.546 404 1HG2 VAL 49 2HG2 VAL 49 18.341 1.753 1.753 405 2HG2 VAL 49 3HG2 VAL 49 17.142 0.790 0.790 406 3HG2 VAL 49 1HG2 VAL 49 18.357 -0.020 -0.020 407 H LYS 50 H LYS 50 21.271 2.969 2.969 408 HA LYS 50 HA LYS 50 21.788 1.784 1.784 409 1HB LYS 50 1HB LYS 50 20.983 4.117 4.117 410 2HB LYS 50 2HB LYS 50 22.493 4.478 4.478 411 1HG LYS 50 1HG LYS 50 23.668 4.091 4.091 412 2HG LYS 50 2HG LYS 50 22.071 4.121 4.121 413 1HD LYS 50 1HD LYS 50 23.132 6.317 6.317 414 2HD LYS 50 2HD LYS 50 23.491 6.342 6.342 415 1HE LYS 50 1HE LYS 50 20.619 6.439 6.439 416 2HE LYS 50 2HE LYS 50 21.575 7.860 7.860 417 1HZ LYS 50 3HZ LYS 50 21.663 7.119 7.119 418 2HZ LYS 50 1HZ LYS 50 20.764 5.777 5.777 419 3HZ LYS 50 2HZ LYS 50 20.099 7.281 7.281 420 H GLU 51 H GLU 51 24.118 3.119 3.119 421 HA GLU 51 HA GLU 51 26.606 2.213 2.213 422 1HB GLU 51 1HB GLU 51 25.964 2.831 2.831 423 2HB GLU 51 2HB GLU 51 27.581 2.485 2.485 424 1HG GLU 51 1HG GLU 51 27.569 4.477 4.477 425 2HG GLU 51 2HG GLU 51 25.910 4.858 4.858 426 H LYS 52 H LYS 52 24.240 0.346 0.346 427 HA LYS 52 HA LYS 52 26.143 -1.871 -1.871 428 1HB LYS 52 1HB LYS 52 24.309 -1.229 -1.229 429 2HB LYS 52 2HB LYS 52 23.096 -1.587 -1.587 430 1HG LYS 52 1HG LYS 52 23.805 -4.019 -4.019 431 2HG LYS 52 2HG LYS 52 25.016 -3.640 -3.640 432 1HD LYS 52 1HD LYS 52 23.162 -2.860 -2.860 433 2HD LYS 52 2HD LYS 52 21.978 -3.179 -3.179 434 1HE LYS 52 1HE LYS 52 21.858 -5.040 -5.040 435 2HE LYS 52 2HE LYS 52 22.598 -5.654 -5.654 436 1HZ LYS 52 2HZ LYS 52 24.069 -4.892 -4.892 437 2HZ LYS 52 3HZ LYS 52 23.758 -6.432 -6.432 438 3HZ LYS 52 1HZ LYS 52 24.782 -5.466 -5.466 439 H LEU 53 H LEU 53 23.194 -1.613 -1.613 440 HA LEU 53 HA LEU 53 24.360 -3.496 -3.496 441 1HB LEU 53 1HB LEU 53 22.967 -5.239 -5.239 442 2HB LEU 53 2HB LEU 53 23.417 -4.958 -4.958 443 HG LEU 53 HG LEU 53 20.825 -4.096 -4.096 444 1HD1 LEU 53 2HD1 LEU 53 20.989 -6.585 -6.585 445 2HD1 LEU 53 3HD1 LEU 53 21.287 -6.510 -6.510 446 3HD1 LEU 53 1HD1 LEU 53 19.711 -6.010 -6.010 447 1HD2 LEU 53 2HD2 LEU 53 21.483 -4.074 -4.074 448 2HD2 LEU 53 3HD2 LEU 53 21.204 -2.649 -2.649 449 3HD2 LEU 53 1HD2 LEU 53 19.869 -3.755 -3.755 450 H LYS 54 H LYS 54 21.727 -1.279 -1.279 451 HA LYS 54 HA LYS 54 20.359 -0.012 -0.012 452 1HB LYS 54 1HB LYS 54 21.623 -1.094 -1.094 453 2HB LYS 54 2HB LYS 54 20.331 0.084 0.084 454 1HG LYS 54 1HG LYS 54 21.803 1.660 1.660 455 2HG LYS 54 2HG LYS 54 23.141 0.523 0.523 456 1HD LYS 54 1HD LYS 54 21.745 1.807 1.807 457 2HD LYS 54 2HD LYS 54 23.196 2.432 2.432 458 1HE LYS 54 1HE LYS 54 24.443 0.283 0.283 459 2HE LYS 54 2HE LYS 54 23.003 -0.341 -0.341 460 1HZ LYS 54 3HZ LYS 54 24.472 2.132 2.132 461 2HZ LYS 54 1HZ LYS 54 24.530 0.678 0.678 462 3HZ LYS 54 2HZ LYS 54 23.126 1.549 1.549 463 H ILE 55 H ILE 55 20.513 -2.984 -2.984 464 HA ILE 55 HA ILE 55 17.956 -3.923 -3.923 465 HB ILE 55 HB ILE 55 17.151 -4.684 -4.684 466 1HG1 ILE 55 1HG1 ILE 55 17.167 -2.860 -2.860 467 2HG1 ILE 55 2HG1 ILE 55 18.285 -1.907 -1.907 468 1HG2 ILE 55 2HG2 ILE 55 15.788 -3.500 -3.500 469 2HG2 ILE 55 3HG2 ILE 55 16.485 -1.939 -1.939 470 3HG2 ILE 55 1HG2 ILE 55 15.478 -2.872 -2.872 471 1HD1 ILE 55 3HD1 ILE 55 18.956 -4.666 -4.666 472 2HD1 ILE 55 1HD1 ILE 55 19.376 -3.085 -3.085 473 3HD1 ILE 55 2HD1 ILE 55 20.098 -3.567 -3.567 474 H ASP 56 H ASP 56 20.157 -5.062 -5.062 475 HA ASP 56 HA ASP 56 20.212 -7.771 -7.771 476 1HB ASP 56 1HB ASP 56 20.695 -7.116 -7.116 477 2HB ASP 56 2HB ASP 56 20.989 -8.685 -8.685 478 H SER 57 H SER 57 22.728 -6.742 -6.742 479 HA SER 57 HA SER 57 24.989 -6.396 -6.396 480 1HB SER 57 1HB SER 57 24.385 -4.414 -4.414 481 2HB SER 57 2HB SER 57 24.516 -5.368 -5.368 482 HG SER 57 HG SER 57 26.411 -4.247 -4.247 Start of MODEL 11 1 1H THR 1 3H THR 1 -23.307 -2.746 -2.746 2 2H THR 1 1H THR 1 -24.852 -3.046 -3.046 3 3H THR 1 2H THR 1 -24.104 -1.635 -1.635 4 HA THR 1 HA THR 1 -24.027 -0.871 -0.871 5 HB THR 1 HB THR 1 -25.819 -0.158 -0.158 6 HG1 THR 1 HG1 THR 1 -25.749 0.421 0.421 7 1HG2 THR 1 2HG2 THR 1 -26.951 -2.329 -2.329 8 2HG2 THR 1 3HG2 THR 1 -27.630 -2.413 -2.413 9 3HG2 THR 1 1HG2 THR 1 -28.073 -1.069 -1.069 10 HA PRO 2 HA PRO 2 -24.265 -4.996 -4.996 11 1HB PRO 2 1HB PRO 2 -21.845 -4.065 -4.065 12 2HB PRO 2 2HB PRO 2 -21.979 -5.536 -5.536 13 1HG PRO 2 1HG PRO 2 -20.464 -3.334 -3.334 14 2HG PRO 2 2HG PRO 2 -21.114 -4.448 -4.448 15 1HD PRO 2 1HD PRO 2 -22.084 -1.672 -1.672 16 2HD PRO 2 2HD PRO 2 -22.205 -2.548 -2.548 17 H ASP 3 H ASP 3 -25.777 -5.096 -5.096 18 HA ASP 3 HA ASP 3 -26.286 -2.902 -2.902 19 1HB ASP 3 1HB ASP 3 -27.949 -5.450 -5.450 20 2HB ASP 3 2HB ASP 3 -28.423 -4.088 -4.088 21 H VAL 4 H VAL 4 -26.580 -3.206 -3.206 22 HA VAL 4 HA VAL 4 -24.918 -5.477 -5.477 23 HB VAL 4 HB VAL 4 -24.758 -2.574 -2.574 24 1HG1 VAL 4 1HG1 VAL 4 -23.400 -5.030 -5.030 25 2HG1 VAL 4 2HG1 VAL 4 -23.032 -3.322 -3.322 26 3HG1 VAL 4 3HG1 VAL 4 -24.619 -3.990 -3.990 27 1HG2 VAL 4 2HG2 VAL 4 -23.418 -3.080 -3.080 28 2HG2 VAL 4 3HG2 VAL 4 -22.366 -2.777 -2.777 29 3HG2 VAL 4 1HG2 VAL 4 -22.635 -4.447 -4.447 30 H SER 5 H SER 5 -26.746 -3.469 -3.469 31 HA SER 5 HA SER 5 -28.727 -5.754 -5.754 32 1HB SER 5 1HB SER 5 -27.640 -4.898 -4.898 33 2HB SER 5 2HB SER 5 -28.311 -3.288 -3.288 34 HG SER 5 HG SER 5 -29.770 -5.710 -5.710 35 H SER 6 H SER 6 -29.126 -4.985 -4.985 36 HA SER 6 HA SER 6 -30.117 -3.820 -3.820 37 1HB SER 6 1HB SER 6 -32.321 -3.038 -3.038 38 2HB SER 6 2HB SER 6 -32.376 -2.771 -2.771 39 HG SER 6 HG SER 6 -32.051 -5.276 -5.276 40 H ALA 7 H ALA 7 -27.866 -2.618 -2.618 41 HA ALA 7 HA ALA 7 -28.379 0.180 0.180 42 1HB ALA 7 3HB ALA 7 -26.376 -0.994 -0.994 43 2HB ALA 7 1HB ALA 7 -25.709 -1.045 -1.045 44 3HB ALA 7 2HB ALA 7 -25.946 0.511 0.511 45 H LEU 8 H LEU 8 -26.798 -0.998 -0.998 46 HA LEU 8 HA LEU 8 -27.380 1.585 1.585 47 1HB LEU 8 1HB LEU 8 -25.841 -1.004 -1.004 48 2HB LEU 8 2HB LEU 8 -26.474 -0.171 -0.171 49 HG LEU 8 HG LEU 8 -25.289 1.960 1.960 50 1HD1 LEU 8 3HD1 LEU 8 -23.956 0.221 0.221 51 2HD1 LEU 8 1HD1 LEU 8 -23.422 1.850 1.850 52 3HD1 LEU 8 2HD1 LEU 8 -25.005 1.634 1.634 53 1HD2 LEU 8 3HD2 LEU 8 -24.275 0.381 0.381 54 2HD2 LEU 8 1HD2 LEU 8 -23.018 1.185 1.185 55 3HD2 LEU 8 2HD2 LEU 8 -23.456 -0.502 -0.502 56 H ASP 9 H ASP 9 -29.485 -0.803 -0.803 57 HA ASP 9 HA ASP 9 -30.974 -1.139 -1.139 58 1HB ASP 9 1HB ASP 9 -31.177 -2.559 -2.559 59 2HB ASP 9 2HB ASP 9 -32.130 -1.278 -1.278 60 H LYS 10 H LYS 10 -31.620 1.163 1.163 61 HA LYS 10 HA LYS 10 -33.634 2.751 2.751 62 1HB LYS 10 2HB LYS 10 -33.459 2.645 2.645 63 2HB LYS 10 1HB LYS 10 -31.943 3.539 3.539 64 1HG LYS 10 1HG LYS 10 -33.177 5.507 5.507 65 2HG LYS 10 2HG LYS 10 -34.681 4.583 4.583 66 1HD LYS 10 1HD LYS 10 -34.495 4.440 4.440 67 2HD LYS 10 2HD LYS 10 -32.977 5.345 5.345 68 1HE LYS 10 1HE LYS 10 -34.194 7.330 7.330 69 2HE LYS 10 2HE LYS 10 -35.716 6.426 6.426 70 1HZ LYS 10 2HZ LYS 10 -35.482 6.308 6.308 71 2HZ LYS 10 3HZ LYS 10 -34.062 7.151 7.151 72 3HZ LYS 10 1HZ LYS 10 -35.473 7.878 7.878 73 H LEU 11 H LEU 11 -30.156 3.507 3.507 74 HA LEU 11 HA LEU 11 -30.077 5.479 5.479 75 1HB LEU 11 1HB LEU 11 -27.954 4.782 4.782 76 2HB LEU 11 2HB LEU 11 -27.716 5.907 5.907 77 HG LEU 11 HG LEU 11 -29.842 6.296 6.296 78 1HD1 LEU 11 3HD2 LEU 11 -27.533 6.391 6.391 79 2HD1 LEU 11 1HD2 LEU 11 -27.055 7.600 7.600 80 3HD1 LEU 11 2HD2 LEU 11 -28.285 7.996 7.996 81 1HD2 LEU 11 3HD1 LEU 11 -28.834 8.270 8.270 82 2HD2 LEU 11 1HD1 LEU 11 -30.455 7.538 7.538 83 3HD2 LEU 11 2HD1 LEU 11 -29.946 8.674 8.674 84 H LYS 12 H LYS 12 -30.613 3.541 3.541 85 HA LYS 12 HA LYS 12 -28.269 1.831 1.831 86 1HB LYS 12 1HB LYS 12 -29.648 0.695 0.695 87 2HB LYS 12 2HB LYS 12 -30.340 0.720 0.720 88 1HG LYS 12 1HG LYS 12 -31.924 2.590 2.590 89 2HG LYS 12 2HG LYS 12 -31.305 2.436 2.436 90 1HD LYS 12 1HD LYS 12 -32.562 0.130 0.130 91 2HD LYS 12 2HD LYS 12 -33.476 1.201 1.201 92 1HE LYS 12 1HE LYS 12 -32.098 0.433 0.433 93 2HE LYS 12 2HE LYS 12 -31.191 -0.665 -0.665 94 1HZ LYS 12 3HZ LYS 12 -34.131 -0.787 -0.787 95 2HZ LYS 12 1HZ LYS 12 -33.002 -1.805 -1.805 96 3HZ LYS 12 2HZ LYS 12 -33.282 -1.809 -1.809 97 H GLU 13 H GLU 13 -29.880 4.652 4.652 98 HA GLU 13 HA GLU 13 -28.027 4.824 4.824 99 1HB GLU 13 1HB GLU 13 -28.873 6.977 6.977 100 2HB GLU 13 2HB GLU 13 -30.220 5.947 5.947 101 1HG GLU 13 1HG GLU 13 -29.037 8.169 8.169 102 2HG GLU 13 2HG GLU 13 -30.500 8.266 8.266 103 H PHE 14 H PHE 14 -27.933 6.274 6.274 104 HA PHE 14 HA PHE 14 -25.014 7.104 7.104 105 1HB PHE 14 1HB PHE 14 -26.825 7.639 7.639 106 2HB PHE 14 2HB PHE 14 -25.144 8.084 8.084 107 HD1 PHE 14 HD2 PHE 14 -24.405 9.713 9.713 108 HD2 PHE 14 HD1 PHE 14 -28.518 9.143 9.143 109 HE1 PHE 14 HE2 PHE 14 -25.013 11.838 11.838 110 HE2 PHE 14 HE1 PHE 14 -29.104 11.267 11.267 111 HZ PHE 14 HZ PHE 14 -27.359 12.618 12.618 112 H GLY 15 H GLY 15 -24.517 4.932 4.932 113 1HA GLY 15 1HA GLY 15 -23.581 3.210 3.210 114 2HA GLY 15 2HA GLY 15 -25.210 2.732 2.732 115 H ASN 16 H ASN 16 -25.408 2.754 2.754 116 HA ASN 16 HA ASN 16 -23.551 0.853 0.853 117 1HB ASN 16 1HB ASN 16 -26.093 1.301 1.301 118 2HB ASN 16 2HB ASN 16 -25.564 2.672 2.672 119 1HD2 ASN 16 1HD2 ASN 16 -24.660 0.543 0.543 120 2HD2 ASN 16 2HD2 ASN 16 -24.830 2.238 2.238 121 H THR 17 H THR 17 -23.870 4.429 4.429 122 HA THR 17 HA THR 17 -21.799 4.702 4.702 123 HB THR 17 HB THR 17 -23.511 6.401 6.401 124 HG1 THR 17 HG1 THR 17 -20.861 7.321 7.321 125 1HG2 THR 17 2HG2 THR 17 -23.518 6.664 6.664 126 2HG2 THR 17 3HG2 THR 17 -21.967 7.524 7.524 127 3HG2 THR 17 1HG2 THR 17 -23.422 8.191 8.191 128 H LEU 18 H LEU 18 -21.474 5.272 5.272 129 HA LEU 18 HA LEU 18 -18.465 5.052 5.052 130 1HB LEU 18 1HB LEU 18 -18.245 5.684 5.684 131 2HB LEU 18 2HB LEU 18 -19.227 6.844 6.844 132 HG LEU 18 HG LEU 18 -20.639 4.643 4.643 133 1HD1 LEU 18 3HD2 LEU 18 -18.857 5.478 5.478 134 2HD1 LEU 18 1HD2 LEU 18 -19.375 7.161 7.161 135 3HD1 LEU 18 2HD2 LEU 18 -20.459 6.005 6.005 136 1HD2 LEU 18 1HD1 LEU 18 -21.340 7.623 7.623 137 2HD2 LEU 18 2HD1 LEU 18 -22.097 6.229 6.229 138 3HD2 LEU 18 3HD1 LEU 18 -22.322 6.471 6.471 139 H GLU 19 H GLU 19 -20.241 2.675 2.675 140 HA GLU 19 HA GLU 19 -18.541 0.736 0.736 141 1HB GLU 19 1HB GLU 19 -20.865 0.037 0.037 142 2HB GLU 19 2HB GLU 19 -20.808 0.162 0.162 143 1HG GLU 19 1HG GLU 19 -20.705 -2.184 -2.184 144 2HG GLU 19 2HG GLU 19 -19.276 -1.743 -1.743 145 H ASP 20 H ASP 20 -19.320 1.326 1.326 146 HA ASP 20 HA ASP 20 -16.764 0.291 0.291 147 1HB ASP 20 1HB ASP 20 -18.926 0.459 0.459 148 2HB ASP 20 2HB ASP 20 -18.705 2.195 2.195 149 H LYS 21 H LYS 21 -17.761 3.708 3.708 150 HA LYS 21 HA LYS 21 -15.198 4.908 4.908 151 1HB LYS 21 1HB LYS 21 -17.374 5.996 5.996 152 2HB LYS 21 2HB LYS 21 -15.927 6.881 6.881 153 1HG LYS 21 1HG LYS 21 -16.519 6.773 6.773 154 2HG LYS 21 2HG LYS 21 -18.009 5.948 5.948 155 1HD LYS 21 1HD LYS 21 -18.612 8.246 8.246 156 2HD LYS 21 2HD LYS 21 -18.713 7.927 7.927 157 1HE LYS 21 1HE LYS 21 -17.711 10.114 10.114 158 2HE LYS 21 2HE LYS 21 -16.422 9.066 9.066 159 1HZ LYS 21 2HZ LYS 21 -16.842 9.891 9.891 160 2HZ LYS 21 3HZ LYS 21 -15.683 10.474 10.474 161 3HZ LYS 21 1HZ LYS 21 -15.627 8.902 8.902 162 H ALA 22 H ALA 22 -16.243 3.676 3.676 163 HA ALA 22 HA ALA 22 -13.819 4.547 4.547 164 1HB ALA 22 2HB ALA 22 -15.865 3.953 3.953 165 2HB ALA 22 3HB ALA 22 -15.741 2.252 2.252 166 3HB ALA 22 1HB ALA 22 -14.502 2.955 2.955 167 H ARG 23 H ARG 23 -14.606 1.314 1.314 168 HA ARG 23 HA ARG 23 -12.026 0.049 0.049 169 1HB ARG 23 1HB ARG 23 -14.044 -0.402 -0.402 170 2HB ARG 23 2HB ARG 23 -12.666 -1.441 -1.441 171 1HG ARG 23 1HG ARG 23 -13.528 -2.062 -2.062 172 2HG ARG 23 2HG ARG 23 -14.914 -1.001 -1.001 173 1HD ARG 23 1HD ARG 23 -14.308 -3.420 -3.420 174 2HD ARG 23 2HD ARG 23 -15.405 -3.442 -3.442 175 HE ARG 23 HE ARG 23 -16.353 -1.317 -1.317 176 1HH1 ARG 23 1HH1 ARG 23 -16.046 -4.855 -4.855 177 2HH1 ARG 23 2HH1 ARG 23 -17.435 -4.941 -4.941 178 1HH2 ARG 23 1HH2 ARG 23 -17.908 -1.532 -1.532 179 2HH2 ARG 23 2HH2 ARG 23 -18.416 -3.185 -3.185 180 H GLU 24 H GLU 24 -13.105 1.941 1.941 181 HA GLU 24 HA GLU 24 -10.583 1.906 1.906 182 1HB GLU 24 1HB GLU 24 -12.886 2.537 2.537 183 2HB GLU 24 2HB GLU 24 -12.817 4.039 4.039 184 1HG GLU 24 1HG GLU 24 -10.782 4.739 4.739 185 2HG GLU 24 2HG GLU 24 -10.866 3.213 3.213 186 H LEU 25 H LEU 25 -11.691 4.084 4.084 187 HA LEU 25 HA LEU 25 -9.372 5.897 5.897 188 1HB LEU 25 1HB LEU 25 -11.706 6.355 6.355 189 2HB LEU 25 2HB LEU 25 -11.188 5.373 5.373 190 HG LEU 25 HG LEU 25 -9.226 7.048 7.048 191 1HD1 LEU 25 3HD1 LEU 25 -10.839 8.726 8.726 192 2HD1 LEU 25 1HD1 LEU 25 -9.512 9.339 9.339 193 3HD1 LEU 25 2HD1 LEU 25 -9.180 8.116 8.116 194 1HD2 LEU 25 1HD2 LEU 25 -11.274 7.097 7.097 195 2HD2 LEU 25 2HD2 LEU 25 -10.669 8.738 8.738 196 3HD2 LEU 25 3HD2 LEU 25 -12.100 8.150 8.150 197 H ILE 26 H ILE 26 -9.854 2.800 2.800 198 HA ILE 26 HA ILE 26 -7.300 2.925 2.925 199 HB ILE 26 HB ILE 26 -8.665 0.327 0.327 200 1HG1 ILE 26 1HG1 ILE 26 -10.465 1.344 1.344 201 2HG1 ILE 26 2HG1 ILE 26 -9.808 0.159 0.159 202 1HG2 ILE 26 2HG2 ILE 26 -6.377 -0.011 -0.011 203 2HG2 ILE 26 3HG2 ILE 26 -6.781 0.883 0.883 204 3HG2 ILE 26 1HG2 ILE 26 -7.569 -0.675 -0.675 205 1HD1 ILE 26 2HD1 ILE 26 -8.692 2.012 2.012 206 2HD1 ILE 26 3HD1 ILE 26 -9.407 3.218 3.218 207 3HD1 ILE 26 1HD1 ILE 26 -10.461 2.193 2.193 208 H SER 27 H SER 27 -8.162 1.502 1.502 209 HA SER 27 HA SER 27 -5.494 0.688 0.688 210 1HB SER 27 1HB SER 27 -7.793 1.704 1.704 211 2HB SER 27 2HB SER 27 -6.338 0.890 0.890 212 HG SER 27 HG SER 27 -8.060 -0.524 -0.524 213 H ARG 28 H ARG 28 -6.923 3.943 3.943 214 HA ARG 28 HA ARG 28 -4.576 5.249 5.249 215 1HB ARG 28 1HB ARG 28 -6.947 6.135 6.135 216 2HB ARG 28 2HB ARG 28 -6.845 6.502 6.502 217 1HG ARG 28 1HG ARG 28 -4.953 7.685 7.685 218 2HG ARG 28 2HG ARG 28 -6.511 8.383 8.383 219 1HD ARG 28 1HD ARG 28 -4.176 8.171 8.171 220 2HD ARG 28 2HD ARG 28 -4.628 9.595 9.595 221 HE ARG 28 HE ARG 28 -7.015 8.938 8.938 222 1HH1 ARG 28 1HH1 ARG 28 -3.681 9.756 9.756 223 2HH1 ARG 28 2HH1 ARG 28 -4.288 10.518 10.518 224 1HH2 ARG 28 1HH2 ARG 28 -7.591 9.833 9.833 225 2HH2 ARG 28 2HH2 ARG 28 -6.350 10.558 10.558 226 H ILE 29 H ILE 29 -5.663 4.879 4.879 227 HA ILE 29 HA ILE 29 -3.409 6.352 6.352 228 HB ILE 29 HB ILE 29 -5.605 4.614 4.614 229 1HG1 ILE 29 1HG1 ILE 29 -5.071 7.643 7.643 230 2HG1 ILE 29 2HG1 ILE 29 -6.102 6.974 6.974 231 1HG2 ILE 29 2HG2 ILE 29 -3.464 6.072 6.072 232 2HG2 ILE 29 3HG2 ILE 29 -4.957 5.364 5.364 233 3HG2 ILE 29 1HG2 ILE 29 -3.743 4.316 4.316 234 1HD1 ILE 29 2HD1 ILE 29 -7.642 5.983 5.983 235 2HD1 ILE 29 3HD1 ILE 29 -6.674 6.808 6.808 236 3HD1 ILE 29 1HD1 ILE 29 -7.532 7.760 7.760 237 H LYS 30 H LYS 30 -4.003 2.905 2.905 238 HA LYS 30 HA LYS 30 -2.562 1.139 1.139 239 1HB LYS 30 1HB LYS 30 -0.752 2.258 2.258 240 2HB LYS 30 2HB LYS 30 -0.585 0.687 0.687 241 1HG LYS 30 1HG LYS 30 -2.959 1.642 1.642 242 2HG LYS 30 2HG LYS 30 -1.679 0.572 0.572 243 1HD LYS 30 1HD LYS 30 -3.815 -0.080 -0.080 244 2HD LYS 30 2HD LYS 30 -3.810 -0.615 -0.615 245 1HE LYS 30 1HE LYS 30 -1.666 -1.926 -1.926 246 2HE LYS 30 2HE LYS 30 -1.683 -1.419 -1.419 247 1HZ LYS 30 1HZ LYS 30 -3.827 -3.005 -3.005 248 2HZ LYS 30 2HZ LYS 30 -2.694 -3.592 -3.592 249 3HZ LYS 30 3HZ LYS 30 -3.841 -2.528 -2.528 250 H GLN 31 H GLN 31 -2.423 2.212 2.212 251 HA GLN 31 HA GLN 31 -1.304 2.556 2.556 252 1HB GLN 31 1HB GLN 31 0.623 1.063 1.063 253 2HB GLN 31 2HB GLN 31 1.490 2.587 2.587 254 1HG GLN 31 1HG GLN 31 0.938 2.744 2.744 255 2HG GLN 31 2HG GLN 31 0.324 1.111 1.111 256 1HE2 GLN 31 2HE2 GLN 31 3.641 -0.329 -0.329 257 2HE2 GLN 31 1HE2 GLN 31 1.826 -0.588 -0.588 258 H SER 32 H SER 32 -0.839 4.720 4.720 259 HA SER 32 HA SER 32 0.774 6.771 6.771 260 1HB SER 32 1HB SER 32 0.341 8.210 8.210 261 2HB SER 32 2HB SER 32 0.626 6.576 6.576 262 HG SER 32 HG SER 32 -1.658 6.322 6.322 263 H GLU 33 H GLU 33 0.121 9.007 9.007 264 HA GLU 33 HA GLU 33 -0.787 10.504 10.504 265 1HB GLU 33 1HB GLU 33 -3.036 11.281 11.281 266 2HB GLU 33 2HB GLU 33 -2.414 10.909 10.909 267 1HG GLU 33 1HG GLU 33 -4.744 10.332 10.332 268 2HG GLU 33 2HG GLU 33 -3.828 8.867 8.867 269 H LEU 34 H LEU 34 -1.607 7.463 7.463 270 HA LEU 34 HA LEU 34 -1.296 8.305 8.305 271 1HB LEU 34 1HB LEU 34 -2.705 6.229 6.229 272 2HB LEU 34 2HB LEU 34 -1.366 5.490 5.490 273 HG LEU 34 HG LEU 34 0.026 5.785 5.785 274 1HD1 LEU 34 2HD1 LEU 34 -1.484 7.393 7.393 275 2HD1 LEU 34 3HD1 LEU 34 -2.788 6.180 6.180 276 3HD1 LEU 34 1HD1 LEU 34 -1.280 5.902 5.902 277 1HD2 LEU 34 3HD2 LEU 34 -0.741 3.591 3.591 278 2HD2 LEU 34 1HD2 LEU 34 -0.829 3.679 3.679 279 3HD2 LEU 34 2HD2 LEU 34 -2.323 3.807 3.807 280 H SER 35 H SER 35 0.268 6.778 6.778 281 HA SER 35 HA SER 35 3.057 7.166 7.166 282 1HB SER 35 1HB SER 35 2.169 5.657 5.657 283 2HB SER 35 2HB SER 35 3.831 5.883 5.883 284 HG SER 35 HG SER 35 3.291 4.840 4.840 285 H ALA 36 H ALA 36 3.099 7.524 7.524 286 HA ALA 36 HA ALA 36 4.063 9.364 9.364 287 1HB ALA 36 2HB ALA 36 1.835 10.400 10.400 288 2HB ALA 36 3HB ALA 36 2.316 11.262 11.262 289 3HB ALA 36 1HB ALA 36 3.148 11.597 11.597 290 H LYS 37 H LYS 37 3.990 10.589 10.589 291 HA LYS 37 HA LYS 37 6.857 11.404 11.404 292 1HB LYS 37 1HB LYS 37 6.566 11.839 11.839 293 2HB LYS 37 2HB LYS 37 5.327 12.619 12.619 294 1HG LYS 37 1HG LYS 37 3.696 10.739 10.739 295 2HG LYS 37 2HG LYS 37 4.947 10.068 10.068 296 1HD LYS 37 1HD LYS 37 5.016 12.216 12.216 297 2HD LYS 37 2HD LYS 37 3.775 12.917 12.917 298 1HE LYS 37 1HE LYS 37 3.387 10.382 10.382 299 2HE LYS 37 2HE LYS 37 2.945 12.015 12.015 300 1HZ LYS 37 3HZ LYS 37 1.375 12.114 12.114 301 2HZ LYS 37 1HZ LYS 37 1.778 10.584 10.584 302 3HZ LYS 37 2HZ LYS 37 1.041 10.829 10.829 303 H MET 38 H MET 38 5.050 8.478 8.478 304 HA MET 38 HA MET 38 7.499 7.103 7.103 305 1HB MET 38 1HB MET 38 4.894 5.715 5.715 306 2HB MET 38 2HB MET 38 6.239 5.014 5.014 307 1HG MET 38 1HG MET 38 4.325 7.145 7.145 308 2HG MET 38 2HG MET 38 4.471 5.471 5.471 309 1HE MET 38 1HE MET 38 6.527 4.444 4.444 310 2HE MET 38 3HE MET 38 7.784 4.972 4.972 311 3HE MET 38 2HE MET 38 7.935 5.394 5.394 312 H ARG 39 H ARG 39 5.712 6.973 6.973 313 HA ARG 39 HA ARG 39 7.878 5.192 5.192 314 1HB ARG 39 1HB ARG 39 5.295 6.340 6.340 315 2HB ARG 39 2HB ARG 39 6.537 5.545 5.545 316 1HG ARG 39 1HG ARG 39 6.347 3.466 3.466 317 2HG ARG 39 2HG ARG 39 5.035 4.205 4.205 318 1HD ARG 39 1HD ARG 39 3.631 4.388 4.388 319 2HD ARG 39 2HD ARG 39 4.979 3.789 3.789 320 HE ARG 39 HE ARG 39 4.237 1.890 1.890 321 1HH1 ARG 39 1HH1 ARG 39 3.423 2.857 2.857 322 2HH1 ARG 39 2HH1 ARG 39 2.674 1.211 1.211 323 1HH2 ARG 39 1HH2 ARG 39 3.360 0.054 0.054 324 2HH2 ARG 39 2HH2 ARG 39 2.641 -0.267 -0.267 325 H GLU 40 H GLU 40 9.546 6.484 6.484 326 HA GLU 40 HA GLU 40 10.757 8.516 8.516 327 1HB GLU 40 1HB GLU 40 8.724 10.021 10.021 328 2HB GLU 40 2HB GLU 40 9.168 9.969 9.969 329 1HG GLU 40 1HG GLU 40 11.536 10.838 10.838 330 2HG GLU 40 2HG GLU 40 10.772 11.097 11.097 331 H TRP 41 H TRP 41 9.858 8.300 8.300 332 HA TRP 41 HA TRP 41 12.556 8.111 8.111 333 1HB TRP 41 1HB TRP 41 10.484 8.756 8.756 334 2HB TRP 41 2HB TRP 41 9.838 7.142 7.142 335 HD1 TRP 41 HD1 TRP 41 12.245 9.223 9.223 336 HE1 TRP 41 HE1 TRP 41 13.092 7.868 7.868 337 HE3 TRP 41 HE3 TRP 41 10.583 4.656 4.656 338 HZ2 TRP 41 HZ2 TRP 41 12.938 5.109 5.109 339 HZ3 TRP 41 HZ3 TRP 41 10.957 2.685 2.685 340 HH2 TRP 41 HH2 TRP 41 12.120 2.910 2.910 341 H PHE 42 H PHE 42 10.455 5.550 5.550 342 HA PHE 42 HA PHE 42 11.972 3.255 3.255 343 1HB PHE 42 1HB PHE 42 10.100 3.239 3.239 344 2HB PHE 42 2HB PHE 42 10.832 1.813 1.813 345 HD1 PHE 42 HD2 PHE 42 10.425 1.819 1.819 346 HD2 PHE 42 HD1 PHE 42 7.768 3.099 3.099 347 HE1 PHE 42 HE2 PHE 42 8.495 1.463 1.463 348 HE2 PHE 42 HE1 PHE 42 5.855 2.723 2.723 349 HZ PHE 42 HZ PHE 42 6.207 1.911 1.911 350 H SER 43 H SER 43 12.204 5.081 5.081 351 HA SER 43 HA SER 43 14.353 3.424 3.424 352 1HB SER 43 1HB SER 43 12.788 4.797 4.797 353 2HB SER 43 2HB SER 43 13.442 6.284 6.284 354 HG SER 43 HG SER 43 14.410 5.711 5.711 355 H GLU 44 H GLU 44 14.331 6.593 6.593 356 HA GLU 44 HA GLU 44 17.234 6.913 6.913 357 1HB GLU 44 1HB GLU 44 15.556 8.773 8.773 358 2HB GLU 44 2HB GLU 44 15.183 8.183 8.183 359 1HG GLU 44 1HG GLU 44 16.672 10.101 10.101 360 2HG GLU 44 2HG GLU 44 17.523 8.696 8.696 361 H THR 45 H THR 45 15.141 5.424 5.424 362 HA THR 45 HA THR 45 17.300 4.837 4.837 363 HB THR 45 HB THR 45 14.583 3.499 3.499 364 HG1 THR 45 HG1 THR 45 15.515 5.599 5.599 365 1HG2 THR 45 2HG2 THR 45 16.483 3.541 3.541 366 2HG2 THR 45 3HG2 THR 45 14.809 2.931 2.931 367 3HG2 THR 45 1HG2 THR 45 16.054 2.098 2.098 368 H PHE 46 H PHE 46 15.944 2.904 2.904 369 HA PHE 46 HA PHE 46 17.689 0.566 0.566 370 1HB PHE 46 1HB PHE 46 15.609 0.600 0.600 371 2HB PHE 46 2HB PHE 46 16.331 1.719 1.719 372 HD1 PHE 46 HD1 PHE 46 16.714 -1.769 -1.769 373 HD2 PHE 46 HD2 PHE 46 17.610 0.846 0.846 374 HE1 PHE 46 HE1 PHE 46 17.515 -3.688 -3.688 375 HE2 PHE 46 HE2 PHE 46 18.395 -1.087 -1.087 376 HZ PHE 46 HZ PHE 46 18.353 -3.352 -3.352 377 H GLN 47 H GLN 47 18.136 3.488 3.488 378 HA GLN 47 HA GLN 47 20.852 2.944 2.944 379 1HB GLN 47 1HB GLN 47 19.439 5.642 5.642 380 2HB GLN 47 2HB GLN 47 21.015 5.501 5.501 381 1HG GLN 47 1HG GLN 47 20.092 4.187 4.187 382 2HG GLN 47 2HG GLN 47 18.493 4.169 4.169 383 1HE2 GLN 47 2HE2 GLN 47 17.738 7.536 7.536 384 2HE2 GLN 47 1HE2 GLN 47 17.242 6.112 6.112 385 H LYS 48 H LYS 48 19.822 4.440 4.440 386 HA LYS 48 HA LYS 48 22.458 5.206 5.206 387 1HB LYS 48 1HB LYS 48 20.255 5.972 5.972 388 2HB LYS 48 2HB LYS 48 19.935 4.359 4.359 389 1HG LYS 48 1HG LYS 48 21.920 4.570 4.570 390 2HG LYS 48 2HG LYS 48 22.304 6.134 6.134 391 1HD LYS 48 1HD LYS 48 21.183 6.578 6.578 392 2HD LYS 48 2HD LYS 48 20.073 7.043 7.043 393 1HE LYS 48 1HE LYS 48 18.791 4.854 4.854 394 2HE LYS 48 2HE LYS 48 19.930 4.385 4.385 395 1HZ LYS 48 1HZ LYS 48 19.227 6.353 6.353 396 2HZ LYS 48 2HZ LYS 48 18.169 6.790 6.790 397 3HZ LYS 48 3HZ LYS 48 17.933 5.388 5.388 398 H VAL 49 H VAL 49 20.747 2.042 2.042 399 HA VAL 49 HA VAL 49 22.827 0.603 0.603 400 HB VAL 49 HB VAL 49 21.132 -0.737 -0.737 401 1HG1 VAL 49 1HG1 VAL 49 22.910 -2.184 -2.184 402 2HG1 VAL 49 2HG1 VAL 49 22.313 -1.871 -1.871 403 3HG1 VAL 49 3HG1 VAL 49 21.314 -2.774 -2.774 404 1HG2 VAL 49 2HG2 VAL 49 20.210 -0.207 -0.207 405 2HG2 VAL 49 3HG2 VAL 49 19.457 0.431 0.431 406 3HG2 VAL 49 1HG2 VAL 49 19.394 -1.301 -1.301 407 H LYS 50 H LYS 50 22.328 0.977 0.977 408 HA LYS 50 HA LYS 50 24.592 -0.628 -0.628 409 1HB LYS 50 1HB LYS 50 23.090 1.506 1.506 410 2HB LYS 50 2HB LYS 50 24.513 0.734 0.734 411 1HG LYS 50 1HG LYS 50 22.861 -0.449 -0.449 412 2HG LYS 50 2HG LYS 50 23.449 -1.552 -1.552 413 1HD LYS 50 1HD LYS 50 21.010 0.207 0.207 414 2HD LYS 50 2HD LYS 50 20.815 -1.086 -1.086 415 1HE LYS 50 1HE LYS 50 21.919 -1.622 -1.622 416 2HE LYS 50 2HE LYS 50 20.195 -1.616 -1.616 417 1HZ LYS 50 1HZ LYS 50 20.593 -3.387 -3.387 418 2HZ LYS 50 2HZ LYS 50 22.209 -3.394 -3.394 419 3HZ LYS 50 3HZ LYS 50 21.118 -3.836 -3.836 420 H GLU 51 H GLU 51 24.406 2.906 2.906 421 HA GLU 51 HA GLU 51 27.172 3.640 3.640 422 1HB GLU 51 1HB GLU 51 25.070 4.921 4.921 423 2HB GLU 51 2HB GLU 51 26.620 5.668 5.668 424 1HG GLU 51 1HG GLU 51 26.130 5.932 5.932 425 2HG GLU 51 2HG GLU 51 24.645 5.003 5.003 426 H LYS 52 H LYS 52 25.833 2.189 2.189 427 HA LYS 52 HA LYS 52 28.271 2.858 2.858 428 1HB LYS 52 1HB LYS 52 25.672 1.376 1.376 429 2HB LYS 52 2HB LYS 52 27.043 1.466 1.466 430 1HG LYS 52 1HG LYS 52 26.943 3.928 3.928 431 2HG LYS 52 2HG LYS 52 25.664 3.986 3.986 432 1HD LYS 52 1HD LYS 52 24.134 2.682 2.682 433 2HD LYS 52 2HD LYS 52 25.376 2.595 2.595 434 1HE LYS 52 1HE LYS 52 24.167 5.240 5.240 435 2HE LYS 52 2HE LYS 52 23.574 4.386 4.386 436 1HZ LYS 52 1HZ LYS 52 25.750 4.691 4.691 437 2HZ LYS 52 2HZ LYS 52 26.323 5.494 5.494 438 3HZ LYS 52 3HZ LYS 52 25.096 6.145 6.145 439 H LEU 53 H LEU 53 26.598 -0.241 -0.241 440 HA LEU 53 HA LEU 53 29.280 -1.614 -1.614 441 1HB LEU 53 1HB LEU 53 28.367 -3.437 -3.437 442 2HB LEU 53 2HB LEU 53 28.822 -1.870 -1.870 443 HG LEU 53 HG LEU 53 26.562 -1.140 -1.140 444 1HD1 LEU 53 1HD2 LEU 53 25.667 -3.970 -3.970 445 2HD1 LEU 53 2HD2 LEU 53 24.613 -2.829 -2.829 446 3HD1 LEU 53 3HD2 LEU 53 25.205 -2.407 -2.407 447 1HD2 LEU 53 3HD1 LEU 53 27.757 -2.187 -2.187 448 2HD2 LEU 53 1HD1 LEU 53 26.018 -2.517 -2.517 449 3HD2 LEU 53 2HD1 LEU 53 27.129 -3.793 -3.793 450 H LYS 54 H LYS 54 25.934 -2.042 -2.042 451 HA LYS 54 HA LYS 54 26.533 -4.771 -4.771 452 1HB LYS 54 1HB LYS 54 24.351 -4.044 -4.044 453 2HB LYS 54 2HB LYS 54 23.955 -3.189 -3.189 454 1HG LYS 54 1HG LYS 54 23.937 -5.266 -5.266 455 2HG LYS 54 2HG LYS 54 24.661 -6.201 -6.201 456 1HD LYS 54 1HD LYS 54 21.879 -4.873 -4.873 457 2HD LYS 54 2HD LYS 54 22.127 -6.435 -6.435 458 1HE LYS 54 1HE LYS 54 21.485 -6.975 -6.975 459 2HE LYS 54 2HE LYS 54 23.213 -7.300 -7.300 460 1HZ LYS 54 2HZ LYS 54 21.926 -4.864 -4.864 461 2HZ LYS 54 3HZ LYS 54 22.557 -6.127 -6.127 462 3HZ LYS 54 1HZ LYS 54 23.554 -5.145 -5.145 463 H ILE 55 H ILE 55 25.570 -1.898 -1.898 464 HA ILE 55 HA ILE 55 26.319 -1.127 -1.127 465 HB ILE 55 HB ILE 55 28.505 -3.224 -3.224 466 1HG1 ILE 55 1HG1 ILE 55 28.591 -0.196 -0.196 467 2HG1 ILE 55 2HG1 ILE 55 28.491 -1.436 -1.436 468 1HG2 ILE 55 2HG2 ILE 55 28.048 -2.490 -2.490 469 2HG2 ILE 55 3HG2 ILE 55 28.158 -0.782 -0.782 470 3HG2 ILE 55 1HG2 ILE 55 29.588 -1.843 -1.843 471 1HD1 ILE 55 2HD1 ILE 55 30.674 -2.430 -2.430 472 2HD1 ILE 55 3HD1 ILE 55 30.850 -1.087 -1.087 473 3HD1 ILE 55 1HD1 ILE 55 30.793 -0.744 -0.744 474 H ASP 56 H ASP 56 25.095 -1.232 -1.232 475 HA ASP 56 HA ASP 56 23.759 -1.926 -1.926 476 1HB ASP 56 1HB ASP 56 25.777 -3.191 -3.191 477 2HB ASP 56 2HB ASP 56 25.152 -4.638 -4.638 478 H SER 57 H SER 57 23.607 -5.121 -5.121 479 HA SER 57 HA SER 57 20.749 -4.556 -4.556 480 1HB SER 57 1HB SER 57 19.825 -6.468 -6.468 481 2HB SER 57 2HB SER 57 20.498 -5.263 -5.263 482 HG SER 57 HG SER 57 21.782 -7.647 -7.647 Start of MODEL 12 1 1H THR 1 3H THR 1 -26.627 -8.548 -8.548 2 2H THR 1 1H THR 1 -27.201 -7.571 -7.571 3 3H THR 1 2H THR 1 -27.737 -7.375 -7.375 4 HA THR 1 HA THR 1 -28.733 -9.550 -9.550 5 HB THR 1 HB THR 1 -30.653 -9.077 -9.077 6 HG1 THR 1 HG1 THR 1 -30.480 -7.402 -7.402 7 1HG2 THR 1 2HG2 THR 1 -30.760 -7.466 -7.466 8 2HG2 THR 1 3HG2 THR 1 -29.830 -6.275 -6.275 9 3HG2 THR 1 1HG2 THR 1 -31.423 -6.786 -6.786 10 HA PRO 2 HA PRO 2 -26.997 -12.487 -12.487 11 1HB PRO 2 1HB PRO 2 -28.783 -14.653 -14.653 12 2HB PRO 2 2HB PRO 2 -27.751 -14.209 -14.209 13 1HG PRO 2 1HG PRO 2 -30.662 -13.402 -13.402 14 2HG PRO 2 2HG PRO 2 -29.914 -14.080 -14.080 15 1HD PRO 2 1HD PRO 2 -30.310 -11.369 -11.369 16 2HD PRO 2 2HD PRO 2 -28.849 -12.008 -12.008 17 H ASP 3 H ASP 3 -26.983 -12.628 -12.628 18 HA ASP 3 HA ASP 3 -27.545 -12.473 -12.473 19 1HB ASP 3 1HB ASP 3 -30.370 -13.374 -13.374 20 2HB ASP 3 2HB ASP 3 -29.831 -13.103 -13.103 21 H VAL 4 H VAL 4 -30.710 -11.207 -11.207 22 HA VAL 4 HA VAL 4 -29.610 -8.391 -8.391 23 HB VAL 4 HB VAL 4 -30.075 -9.411 -9.411 24 1HG1 VAL 4 1HG1 VAL 4 -32.246 -10.608 -10.608 25 2HG1 VAL 4 2HG1 VAL 4 -33.081 -9.045 -9.045 26 3HG1 VAL 4 3HG1 VAL 4 -32.318 -9.505 -9.505 27 1HG2 VAL 4 2HG2 VAL 4 -29.800 -6.982 -6.982 28 2HG2 VAL 4 3HG2 VAL 4 -30.801 -7.370 -7.370 29 3HG2 VAL 4 1HG2 VAL 4 -31.562 -6.788 -6.788 30 H SER 5 H SER 5 -32.475 -7.602 -7.602 31 HA SER 5 HA SER 5 -33.736 -6.162 -6.162 32 1HB SER 5 1HB SER 5 -34.635 -8.145 -8.145 33 2HB SER 5 2HB SER 5 -33.338 -8.000 -8.000 34 HG SER 5 HG SER 5 -34.066 -5.862 -5.862 35 H SER 6 H SER 6 -31.532 -5.280 -5.280 36 HA SER 6 HA SER 6 -29.999 -3.541 -3.541 37 1HB SER 6 1HB SER 6 -31.592 -2.407 -2.407 38 2HB SER 6 2HB SER 6 -30.845 -3.191 -3.191 39 HG SER 6 HG SER 6 -29.981 -1.151 -1.151 40 H ALA 7 H ALA 7 -28.778 -5.631 -5.631 41 HA ALA 7 HA ALA 7 -26.349 -5.496 -5.496 42 1HB ALA 7 2HB ALA 7 -27.730 -8.223 -8.223 43 2HB ALA 7 3HB ALA 7 -26.065 -8.001 -8.001 44 3HB ALA 7 1HB ALA 7 -27.428 -7.380 -7.380 45 H LEU 8 H LEU 8 -27.655 -7.428 -7.428 46 HA LEU 8 HA LEU 8 -25.346 -6.704 -6.704 47 1HB LEU 8 1HB LEU 8 -26.615 -8.862 -8.862 48 2HB LEU 8 2HB LEU 8 -28.058 -7.955 -7.955 49 HG LEU 8 HG LEU 8 -26.888 -7.025 -7.025 50 1HD1 LEU 8 3HD1 LEU 8 -24.620 -9.003 -9.003 51 2HD1 LEU 8 1HD1 LEU 8 -24.782 -8.136 -8.136 52 3HD1 LEU 8 2HD1 LEU 8 -24.485 -7.228 -7.228 53 1HD2 LEU 8 3HD2 LEU 8 -28.390 -9.014 -9.014 54 2HD2 LEU 8 1HD2 LEU 8 -27.067 -9.132 -9.132 55 3HD2 LEU 8 2HD2 LEU 8 -27.020 -10.105 -10.105 56 H ASP 9 H ASP 9 -28.655 -5.546 -5.546 57 HA ASP 9 HA ASP 9 -28.552 -3.290 -3.290 58 1HB ASP 9 1HB ASP 9 -30.424 -4.191 -4.191 59 2HB ASP 9 2HB ASP 9 -30.450 -2.502 -2.502 60 H LYS 10 H LYS 10 -27.453 -3.574 -3.574 61 HA LYS 10 HA LYS 10 -26.682 -0.698 -0.698 62 1HB LYS 10 2HB LYS 10 -27.082 -2.090 -2.090 63 2HB LYS 10 1HB LYS 10 -25.688 -3.090 -3.090 64 1HG LYS 10 1HG LYS 10 -24.219 -1.004 -1.004 65 2HG LYS 10 2HG LYS 10 -25.612 -0.052 -0.052 66 1HD LYS 10 1HD LYS 10 -24.511 -2.478 -2.478 67 2HD LYS 10 2HD LYS 10 -23.999 -0.824 -0.824 68 1HE LYS 10 1HE LYS 10 -25.525 -1.100 -1.100 69 2HE LYS 10 2HE LYS 10 -26.441 -0.169 -0.169 70 1HZ LYS 10 3HZ LYS 10 -26.638 -3.118 -3.118 71 2HZ LYS 10 1HZ LYS 10 -27.738 -1.990 -1.990 72 3HZ LYS 10 2HZ LYS 10 -27.514 -2.270 -2.270 73 H LEU 11 H LEU 11 -24.680 -3.677 -3.677 74 HA LEU 11 HA LEU 11 -22.217 -2.397 -2.397 75 1HB LEU 11 1HB LEU 11 -22.633 -4.758 -4.758 76 2HB LEU 11 2HB LEU 11 -23.097 -5.170 -5.170 77 HG LEU 11 HG LEU 11 -20.332 -3.921 -3.921 78 1HD1 LEU 11 2HD1 LEU 11 -20.503 -5.648 -5.648 79 2HD1 LEU 11 3HD1 LEU 11 -20.965 -6.884 -6.884 80 3HD1 LEU 11 1HD1 LEU 11 -19.342 -6.147 -6.147 81 1HD2 LEU 11 3HD2 LEU 11 -20.974 -4.450 -4.450 82 2HD2 LEU 11 1HD2 LEU 11 -19.621 -5.453 -5.453 83 3HD2 LEU 11 2HD2 LEU 11 -21.259 -6.146 -6.146 84 H LYS 12 H LYS 12 -24.602 -3.048 -3.048 85 HA LYS 12 HA LYS 12 -22.889 -2.505 -2.505 86 1HB LYS 12 1HB LYS 12 -24.832 -2.206 -2.206 87 2HB LYS 12 2HB LYS 12 -25.098 -3.533 -3.533 88 1HG LYS 12 1HG LYS 12 -26.508 -1.957 -1.957 89 2HG LYS 12 2HG LYS 12 -26.283 -0.693 -0.693 90 1HD LYS 12 1HD LYS 12 -27.344 -2.275 -2.275 91 2HD LYS 12 2HD LYS 12 -27.685 -3.405 -3.405 92 1HE LYS 12 1HE LYS 12 -29.068 -1.567 -1.567 93 2HE LYS 12 2HE LYS 12 -28.744 -0.496 -0.496 94 1HZ LYS 12 2HZ LYS 12 -29.860 -2.111 -2.111 95 2HZ LYS 12 3HZ LYS 12 -30.161 -3.113 -3.113 96 3HZ LYS 12 1HZ LYS 12 -30.868 -1.621 -1.621 97 H GLU 13 H GLU 13 -24.407 -0.114 -0.114 98 HA GLU 13 HA GLU 13 -22.380 1.829 1.829 99 1HB GLU 13 1HB GLU 13 -23.822 3.793 3.793 100 2HB GLU 13 2HB GLU 13 -24.295 2.638 2.638 101 1HG GLU 13 1HG GLU 13 -26.234 1.863 1.863 102 2HG GLU 13 2HG GLU 13 -25.773 3.026 3.026 103 H PHE 14 H PHE 14 -21.608 0.501 0.501 104 HA PHE 14 HA PHE 14 -21.257 2.429 2.429 105 1HB PHE 14 1HB PHE 14 -23.322 1.365 1.365 106 2HB PHE 14 2HB PHE 14 -22.591 -0.213 -0.213 107 HD1 PHE 14 HD2 PHE 14 -22.367 3.143 3.143 108 HD2 PHE 14 HD1 PHE 14 -21.166 -0.987 -0.987 109 HE1 PHE 14 HE2 PHE 14 -21.553 3.453 3.453 110 HE2 PHE 14 HE1 PHE 14 -20.360 -0.658 -0.658 111 HZ PHE 14 HZ PHE 14 -20.551 1.557 1.557 112 H GLY 15 H GLY 15 -20.614 -1.048 -1.048 113 1HA GLY 15 1HA GLY 15 -17.729 -0.918 -0.918 114 2HA GLY 15 2HA GLY 15 -18.455 -2.217 -2.217 115 H ASN 16 H ASN 16 -19.556 -0.841 -0.841 116 HA ASN 16 HA ASN 16 -17.394 -0.139 -0.139 117 1HB ASN 16 1HB ASN 16 -19.810 -0.899 -0.899 118 2HB ASN 16 2HB ASN 16 -20.352 0.705 0.705 119 1HD2 ASN 16 1HD2 ASN 16 -18.481 0.106 0.106 120 2HD2 ASN 16 2HD2 ASN 16 -18.417 -1.159 -1.159 121 H THR 17 H THR 17 -19.316 2.028 2.028 122 HA THR 17 HA THR 17 -18.487 4.531 4.531 123 HB THR 17 HB THR 17 -19.396 3.906 3.906 124 HG1 THR 17 HG1 THR 17 -20.751 4.819 4.819 125 1HG2 THR 17 3HG2 THR 17 -19.364 6.596 6.596 126 2HG2 THR 17 1HG2 THR 17 -20.139 6.287 6.287 127 3HG2 THR 17 2HG2 THR 17 -18.369 6.191 6.191 128 H LEU 18 H LEU 18 -17.061 3.062 3.062 129 HA LEU 18 HA LEU 18 -14.698 4.826 4.826 130 1HB LEU 18 1HB LEU 18 -13.907 4.273 4.273 131 2HB LEU 18 2HB LEU 18 -15.631 4.335 4.335 132 HG LEU 18 HG LEU 18 -13.961 1.744 1.744 133 1HD1 LEU 18 3HD1 LEU 18 -13.410 3.023 3.023 134 2HD1 LEU 18 1HD1 LEU 18 -15.132 3.079 3.079 135 3HD1 LEU 18 2HD1 LEU 18 -14.269 1.521 1.521 136 1HD2 LEU 18 3HD2 LEU 18 -16.927 2.060 2.060 137 2HD2 LEU 18 1HD2 LEU 18 -16.320 1.300 1.300 138 3HD2 LEU 18 2HD2 LEU 18 -15.991 0.545 0.545 139 H GLU 19 H GLU 19 -15.228 2.347 2.347 140 HA GLU 19 HA GLU 19 -12.384 1.334 1.334 141 1HB GLU 19 1HB GLU 19 -14.159 -0.366 -0.366 142 2HB GLU 19 2HB GLU 19 -14.854 0.514 0.514 143 1HG GLU 19 1HG GLU 19 -13.614 -1.396 -1.396 144 2HG GLU 19 2HG GLU 19 -12.831 0.069 0.069 145 H ASP 20 H ASP 20 -14.809 2.921 2.921 146 HA ASP 20 HA ASP 20 -12.777 4.015 4.015 147 1HB ASP 20 1HB ASP 20 -15.230 3.511 3.511 148 2HB ASP 20 2HB ASP 20 -15.702 4.928 4.928 149 H LYS 21 H LYS 21 -14.386 5.416 5.416 150 HA LYS 21 HA LYS 21 -13.345 8.135 8.135 151 1HB LYS 21 1HB LYS 21 -15.244 7.227 7.227 152 2HB LYS 21 2HB LYS 21 -13.970 6.726 6.726 153 1HG LYS 21 1HG LYS 21 -13.215 9.165 9.165 154 2HG LYS 21 2HG LYS 21 -14.525 9.604 9.604 155 1HD LYS 21 1HD LYS 21 -16.194 8.556 8.556 156 2HD LYS 21 2HD LYS 21 -14.843 8.284 8.284 157 1HE LYS 21 1HE LYS 21 -14.396 10.813 10.813 158 2HE LYS 21 2HE LYS 21 -15.799 11.032 11.032 159 1HZ LYS 21 1HZ LYS 21 -17.198 10.053 10.053 160 2HZ LYS 21 2HZ LYS 21 -15.894 9.846 9.846 161 3HZ LYS 21 3HZ LYS 21 -16.384 11.368 11.368 162 H ALA 22 H ALA 22 -11.963 5.302 5.302 163 HA ALA 22 HA ALA 22 -9.474 6.679 6.679 164 1HB ALA 22 2HB ALA 22 -10.302 4.668 4.668 165 2HB ALA 22 3HB ALA 22 -10.045 3.662 3.662 166 3HB ALA 22 1HB ALA 22 -8.658 4.407 4.407 167 H ARG 23 H ARG 23 -10.276 4.699 4.699 168 HA ARG 23 HA ARG 23 -7.594 4.647 4.647 169 1HB ARG 23 1HB ARG 23 -9.539 3.160 3.160 170 2HB ARG 23 2HB ARG 23 -10.328 4.526 4.526 171 1HG ARG 23 1HG ARG 23 -8.323 4.715 4.715 172 2HG ARG 23 2HG ARG 23 -7.596 3.312 3.312 173 1HD ARG 23 1HD ARG 23 -10.322 3.353 3.353 174 2HD ARG 23 2HD ARG 23 -8.799 2.851 2.851 175 HE ARG 23 HE ARG 23 -8.715 0.830 0.830 176 1HH1 ARG 23 1HH1 ARG 23 -11.812 2.565 2.565 177 2HH1 ARG 23 2HH1 ARG 23 -12.621 1.044 1.044 178 1HH2 ARG 23 1HH2 ARG 23 -9.738 -0.829 -0.829 179 2HH2 ARG 23 2HH2 ARG 23 -11.525 -0.746 -0.746 180 H GLU 24 H GLU 24 -10.309 6.952 6.952 181 HA GLU 24 HA GLU 24 -8.845 8.842 8.842 182 1HB GLU 24 1HB GLU 24 -11.376 8.682 8.682 183 2HB GLU 24 2HB GLU 24 -11.248 9.390 9.390 184 1HG GLU 24 1HG GLU 24 -10.226 11.489 11.489 185 2HG GLU 24 2HG GLU 24 -10.376 10.747 10.747 186 H LEU 25 H LEU 25 -9.188 8.714 8.714 187 HA LEU 25 HA LEU 25 -7.763 11.198 11.198 188 1HB LEU 25 1HB LEU 25 -9.234 9.908 9.908 189 2HB LEU 25 2HB LEU 25 -8.004 8.667 8.667 190 HG LEU 25 HG LEU 25 -6.388 10.440 10.440 191 1HD1 LEU 25 2HD1 LEU 25 -7.531 12.536 12.536 192 2HD1 LEU 25 3HD1 LEU 25 -8.944 12.176 12.176 193 3HD1 LEU 25 1HD1 LEU 25 -7.366 12.541 12.541 194 1HD2 LEU 25 3HD2 LEU 25 -7.568 8.798 8.798 195 2HD2 LEU 25 1HD2 LEU 25 -7.386 10.359 10.359 196 3HD2 LEU 25 2HD2 LEU 25 -8.966 9.891 9.891 197 H ILE 26 H ILE 26 -6.496 7.836 7.836 198 HA ILE 26 HA ILE 26 -3.662 8.512 8.512 199 HB ILE 26 HB ILE 26 -5.015 6.074 6.074 200 1HG1 ILE 26 1HG1 ILE 26 -3.485 6.370 6.370 201 2HG1 ILE 26 2HG1 ILE 26 -5.205 6.667 6.667 202 1HG2 ILE 26 3HG2 ILE 26 -1.991 6.381 6.381 203 2HG2 ILE 26 1HG2 ILE 26 -2.808 4.851 4.851 204 3HG2 ILE 26 2HG2 ILE 26 -2.733 6.142 6.142 205 1HD1 ILE 26 2HD1 ILE 26 -5.618 4.335 4.335 206 2HD1 ILE 26 3HD1 ILE 26 -3.881 3.971 3.971 207 3HD1 ILE 26 1HD1 ILE 26 -4.896 4.422 4.422 208 H SER 27 H SER 27 -5.659 8.417 8.417 209 HA SER 27 HA SER 27 -3.517 8.861 8.861 210 1HB SER 27 1HB SER 27 -6.446 9.793 9.793 211 2HB SER 27 2HB SER 27 -5.283 9.798 9.798 212 HG SER 27 HG SER 27 -5.020 7.554 7.554 213 H ARG 28 H ARG 28 -5.435 11.364 11.364 214 HA ARG 28 HA ARG 28 -3.838 13.630 13.630 215 1HB ARG 28 1HB ARG 28 -5.807 13.565 13.565 216 2HB ARG 28 2HB ARG 28 -4.921 14.984 14.984 217 1HG ARG 28 1HG ARG 28 -6.945 15.352 15.352 218 2HG ARG 28 2HG ARG 28 -5.968 14.801 14.801 219 1HD ARG 28 1HD ARG 28 -7.043 12.516 12.516 220 2HD ARG 28 2HD ARG 28 -7.928 12.998 12.998 221 HE ARG 28 HE ARG 28 -8.491 13.822 13.822 222 1HH1 ARG 28 1HH1 ARG 28 -9.397 14.287 14.287 223 2HH1 ARG 28 2HH1 ARG 28 -11.018 14.975 14.975 224 1HH2 ARG 28 1HH2 ARG 28 -10.361 14.615 14.615 225 2HH2 ARG 28 2HH2 ARG 28 -11.525 15.147 15.147 226 H ILE 29 H ILE 29 -3.867 12.060 12.060 227 HA ILE 29 HA ILE 29 -1.604 13.620 13.620 228 HB ILE 29 HB ILE 29 -3.251 11.298 11.298 229 1HG1 ILE 29 1HG1 ILE 29 -3.736 12.856 12.856 230 2HG1 ILE 29 2HG1 ILE 29 -2.679 14.080 14.080 231 1HG2 ILE 29 3HG2 ILE 29 -0.760 12.267 12.267 232 2HG2 ILE 29 1HG2 ILE 29 -2.066 11.260 11.260 233 3HG2 ILE 29 2HG2 ILE 29 -1.060 10.631 10.631 234 1HD1 ILE 29 3HD1 ILE 29 -5.288 13.058 13.058 235 2HD1 ILE 29 1HD1 ILE 29 -5.139 14.528 14.528 236 3HD1 ILE 29 2HD1 ILE 29 -4.297 14.429 14.429 237 H LYS 30 H LYS 30 -1.522 10.030 10.030 238 HA LYS 30 HA LYS 30 0.170 8.605 8.605 239 1HB LYS 30 1HB LYS 30 -0.297 9.839 9.839 240 2HB LYS 30 2HB LYS 30 1.301 10.499 10.499 241 1HG LYS 30 1HG LYS 30 1.542 8.561 8.561 242 2HG LYS 30 2HG LYS 30 2.197 8.082 8.082 243 1HD LYS 30 1HD LYS 30 -0.022 6.910 6.910 244 2HD LYS 30 2HD LYS 30 -0.674 7.473 7.473 245 1HE LYS 30 1HE LYS 30 -0.063 5.172 5.172 246 2HE LYS 30 2HE LYS 30 1.108 6.117 6.117 247 1HZ LYS 30 1HZ LYS 30 1.574 4.932 4.932 248 2HZ LYS 30 2HZ LYS 30 2.174 4.357 4.357 249 3HZ LYS 30 3HZ LYS 30 2.686 5.815 5.815 250 H GLN 31 H GLN 31 0.822 9.282 9.282 251 HA GLN 31 HA GLN 31 2.247 9.951 9.951 252 1HB GLN 31 1HB GLN 31 4.299 8.882 8.882 253 2HB GLN 31 2HB GLN 31 4.702 9.448 9.448 254 1HG GLN 31 1HG GLN 31 3.074 7.783 7.783 255 2HG GLN 31 2HG GLN 31 2.766 7.144 7.144 256 1HE2 GLN 31 2HE2 GLN 31 6.274 6.110 6.110 257 2HE2 GLN 31 1HE2 GLN 31 5.129 7.369 7.369 258 H SER 32 H SER 32 1.291 12.100 12.100 259 HA SER 32 HA SER 32 3.510 14.120 14.120 260 1HB SER 32 1HB SER 32 3.229 13.959 13.959 261 2HB SER 32 2HB SER 32 1.533 14.430 14.430 262 HG SER 32 HG SER 32 2.910 16.174 16.174 263 H GLU 33 H GLU 33 2.841 15.029 15.029 264 HA GLU 33 HA GLU 33 1.617 16.076 16.076 265 1HB GLU 33 1HB GLU 33 0.497 17.401 17.401 266 2HB GLU 33 2HB GLU 33 -0.874 16.305 16.305 267 1HG GLU 33 1HG GLU 33 -1.212 17.008 17.008 268 2HG GLU 33 2HG GLU 33 0.202 18.053 18.053 269 H LEU 34 H LEU 34 0.588 13.137 13.137 270 HA LEU 34 HA LEU 34 -0.482 12.265 12.265 271 1HB LEU 34 1HB LEU 34 -1.672 11.287 11.287 272 2HB LEU 34 2HB LEU 34 -0.196 10.746 10.746 273 HG LEU 34 HG LEU 34 -1.673 9.018 9.018 274 1HD1 LEU 34 1HD1 LEU 34 0.719 8.524 8.524 275 2HD1 LEU 34 2HD1 LEU 34 1.205 8.899 8.899 276 3HD1 LEU 34 3HD1 LEU 34 0.109 7.542 7.542 277 1HD2 LEU 34 3HD2 LEU 34 -2.256 10.188 10.188 278 2HD2 LEU 34 1HD2 LEU 34 -1.595 8.561 8.561 279 3HD2 LEU 34 2HD2 LEU 34 -0.580 9.991 9.991 280 H SER 35 H SER 35 2.166 12.175 12.175 281 HA SER 35 HA SER 35 4.147 11.434 11.434 282 1HB SER 35 1HB SER 35 4.089 10.297 10.297 283 2HB SER 35 2HB SER 35 5.445 10.150 10.150 284 HG SER 35 HG SER 35 4.012 9.090 9.090 285 H ALA 36 H ALA 36 4.435 13.520 13.520 286 HA ALA 36 HA ALA 36 6.742 14.411 14.411 287 1HB ALA 36 2HB ALA 36 5.096 16.278 16.278 288 2HB ALA 36 3HB ALA 36 5.102 16.327 16.327 289 3HB ALA 36 1HB ALA 36 6.580 16.727 16.727 290 H LYS 37 H LYS 37 5.500 13.631 13.631 291 HA LYS 37 HA LYS 37 8.129 14.033 14.033 292 1HB LYS 37 1HB LYS 37 5.482 12.892 12.892 293 2HB LYS 37 2HB LYS 37 6.950 12.996 12.996 294 1HG LYS 37 1HG LYS 37 5.445 15.420 15.420 295 2HG LYS 37 2HG LYS 37 5.316 14.815 14.815 296 1HD LYS 37 1HD LYS 37 7.782 15.274 15.274 297 2HD LYS 37 2HD LYS 37 7.908 15.922 15.922 298 1HE LYS 37 1HE LYS 37 6.198 17.712 17.712 299 2HE LYS 37 2HE LYS 37 6.082 17.077 17.077 300 1HZ LYS 37 2HZ LYS 37 8.566 18.153 18.153 301 2HZ LYS 37 3HZ LYS 37 7.630 18.927 18.927 302 3HZ LYS 37 1HZ LYS 37 8.459 17.561 17.561 303 H MET 38 H MET 38 6.064 11.255 11.255 304 HA MET 38 HA MET 38 8.081 9.205 9.205 305 1HB MET 38 1HB MET 38 5.811 9.198 9.198 306 2HB MET 38 2HB MET 38 6.848 7.826 7.826 307 1HG MET 38 1HG MET 38 4.901 9.078 9.078 308 2HG MET 38 2HG MET 38 4.748 7.513 7.513 309 1HE MET 38 2HE MET 38 6.358 5.392 5.392 310 2HE MET 38 1HE MET 38 7.911 6.261 6.261 311 3HE MET 38 3HE MET 38 7.600 5.354 5.354 312 H ARG 39 H ARG 39 7.690 11.324 11.324 313 HA ARG 39 HA ARG 39 9.723 9.786 9.786 314 1HB ARG 39 1HB ARG 39 8.387 12.486 12.486 315 2HB ARG 39 2HB ARG 39 9.785 11.961 11.961 316 1HG ARG 39 1HG ARG 39 8.613 9.762 9.762 317 2HG ARG 39 2HG ARG 39 7.141 10.404 10.404 318 1HD ARG 39 1HD ARG 39 7.035 12.240 12.240 319 2HD ARG 39 2HD ARG 39 8.642 11.829 11.829 320 HE ARG 39 HE ARG 39 6.968 9.452 9.452 321 1HH1 ARG 39 1HH1 ARG 39 7.285 12.669 12.669 322 2HH1 ARG 39 2HH1 ARG 39 6.612 12.027 12.027 323 1HH2 ARG 39 1HH2 ARG 39 6.219 8.826 8.826 324 2HH2 ARG 39 2HH2 ARG 39 6.050 9.999 9.999 325 H GLU 40 H GLU 40 10.055 12.765 12.765 326 HA GLU 40 HA GLU 40 12.979 12.946 12.946 327 1HB GLU 40 1HB GLU 40 13.100 14.480 14.480 328 2HB GLU 40 2HB GLU 40 11.775 14.894 14.894 329 1HG GLU 40 1HG GLU 40 10.177 13.772 13.772 330 2HG GLU 40 2HG GLU 40 11.540 13.586 13.586 331 H TRP 41 H TRP 41 11.038 11.194 11.194 332 HA TRP 41 HA TRP 41 13.260 9.997 9.997 333 1HB TRP 41 1HB TRP 41 10.908 10.100 10.100 334 2HB TRP 41 2HB TRP 41 10.374 9.005 9.005 335 HD1 TRP 41 HD1 TRP 41 11.975 9.059 9.059 336 HE1 TRP 41 HE1 TRP 41 12.190 6.631 6.631 337 HE3 TRP 41 HE3 TRP 41 10.981 6.543 6.543 338 HZ2 TRP 41 HZ2 TRP 41 11.882 4.013 4.013 339 HZ3 TRP 41 HZ3 TRP 41 10.942 4.061 4.061 340 HH2 TRP 41 HH2 TRP 41 11.388 2.824 2.824 341 H PHE 42 H PHE 42 11.694 8.856 8.856 342 HA PHE 42 HA PHE 42 13.182 6.265 6.265 343 1HB PHE 42 1HB PHE 42 11.744 7.783 7.783 344 2HB PHE 42 2HB PHE 42 12.589 6.292 6.292 345 HD1 PHE 42 HD2 PHE 42 11.936 4.235 4.235 346 HD2 PHE 42 HD1 PHE 42 9.367 7.507 7.507 347 HE1 PHE 42 HE2 PHE 42 9.952 2.864 2.864 348 HE2 PHE 42 HE1 PHE 42 7.403 6.133 6.133 349 HZ PHE 42 HZ PHE 42 7.687 3.810 3.810 350 H SER 43 H SER 43 13.871 9.491 9.491 351 HA SER 43 HA SER 43 16.568 8.638 8.638 352 1HB SER 43 1HB SER 43 15.179 11.374 11.374 353 2HB SER 43 2HB SER 43 16.811 11.021 11.021 354 HG SER 43 HG SER 43 15.254 10.812 10.812 355 H GLU 44 H GLU 44 17.133 7.974 7.974 356 HA GLU 44 HA GLU 44 18.647 9.428 9.428 357 1HB GLU 44 1HB GLU 44 15.679 9.841 9.841 358 2HB GLU 44 2HB GLU 44 16.572 9.272 9.272 359 1HG GLU 44 1HG GLU 44 18.110 11.173 11.173 360 2HG GLU 44 2HG GLU 44 17.434 11.799 11.799 361 H THR 45 H THR 45 15.787 7.322 7.322 362 HA THR 45 HA THR 45 17.480 4.917 4.917 363 HB THR 45 HB THR 45 14.493 5.292 5.292 364 HG1 THR 45 HG1 THR 45 15.404 6.729 6.729 365 1HG2 THR 45 2HG2 THR 45 15.149 2.863 2.863 366 2HG2 THR 45 3HG2 THR 45 16.056 3.243 3.243 367 3HG2 THR 45 1HG2 THR 45 14.283 3.419 3.419 368 H PHE 46 H PHE 46 18.054 5.499 5.499 369 HA PHE 46 HA PHE 46 16.448 4.423 4.423 370 1HB PHE 46 1HB PHE 46 17.846 6.464 6.464 371 2HB PHE 46 2HB PHE 46 19.316 5.547 5.547 372 HD1 PHE 46 HD1 PHE 46 16.287 6.084 6.084 373 HD2 PHE 46 HD2 PHE 46 20.281 4.488 4.488 374 HE1 PHE 46 HE1 PHE 46 16.315 5.852 5.852 375 HE2 PHE 46 HE2 PHE 46 20.296 4.280 4.280 376 HZ PHE 46 HZ PHE 46 18.317 4.953 4.953 377 H GLN 47 H GLN 47 19.790 3.305 3.305 378 HA GLN 47 HA GLN 47 19.546 0.807 0.807 379 1HB GLN 47 1HB GLN 47 21.664 2.044 2.044 380 2HB GLN 47 2HB GLN 47 21.476 1.590 1.590 381 1HG GLN 47 1HG GLN 47 21.724 -0.426 -0.426 382 2HG GLN 47 2HG GLN 47 23.117 0.311 0.311 383 1HE2 GLN 47 2HE2 GLN 47 22.644 -3.025 -3.025 384 2HE2 GLN 47 1HE2 GLN 47 22.880 -2.398 -2.398 385 H LYS 48 H LYS 48 18.827 1.562 1.562 386 HA LYS 48 HA LYS 48 18.292 -1.172 -1.172 387 1HB LYS 48 1HB LYS 48 16.988 1.405 1.405 388 2HB LYS 48 2HB LYS 48 17.009 -0.134 -0.134 389 1HG LYS 48 1HG LYS 48 19.377 1.743 1.743 390 2HG LYS 48 2HG LYS 48 18.592 1.404 1.404 391 1HD LYS 48 1HD LYS 48 20.303 -0.570 -0.570 392 2HD LYS 48 2HD LYS 48 20.819 0.332 0.332 393 1HE LYS 48 1HE LYS 48 19.092 -0.897 -0.897 394 2HE LYS 48 2HE LYS 48 18.602 -1.834 -1.834 395 1HZ LYS 48 2HZ LYS 48 20.878 -2.700 -2.700 396 2HZ LYS 48 3HZ LYS 48 21.337 -1.830 -1.830 397 3HZ LYS 48 1HZ LYS 48 20.216 -3.034 -3.034 398 H VAL 49 H VAL 49 16.241 0.965 0.965 399 HA VAL 49 HA VAL 49 13.957 -1.054 -1.054 400 HB VAL 49 HB VAL 49 14.029 1.573 1.573 401 1HG1 VAL 49 3HG1 VAL 49 12.427 -0.037 -0.037 402 2HG1 VAL 49 1HG1 VAL 49 11.614 -0.288 -0.288 403 3HG1 VAL 49 2HG1 VAL 49 11.551 1.299 1.299 404 1HG2 VAL 49 2HG2 VAL 49 13.903 2.031 2.031 405 2HG2 VAL 49 3HG2 VAL 49 12.379 2.463 2.463 406 3HG2 VAL 49 1HG2 VAL 49 12.509 0.947 0.947 407 H LYS 50 H LYS 50 16.060 0.500 0.500 408 HA LYS 50 HA LYS 50 14.936 -0.972 -0.972 409 1HB LYS 50 1HB LYS 50 16.240 1.239 1.239 410 2HB LYS 50 2HB LYS 50 17.733 0.337 0.337 411 1HG LYS 50 1HG LYS 50 17.107 -0.853 -0.853 412 2HG LYS 50 2HG LYS 50 15.855 0.372 0.372 413 1HD LYS 50 1HD LYS 50 17.539 1.476 1.476 414 2HD LYS 50 2HD LYS 50 17.842 2.112 2.112 415 1HE LYS 50 1HE LYS 50 19.727 0.499 0.499 416 2HE LYS 50 2HE LYS 50 19.339 -0.356 -0.356 417 1HZ LYS 50 1HZ LYS 50 20.250 2.478 2.478 418 2HZ LYS 50 2HZ LYS 50 21.164 1.185 1.185 419 3HZ LYS 50 3HZ LYS 50 19.889 1.674 1.674 420 H GLU 51 H GLU 51 18.055 -1.687 -1.687 421 HA GLU 51 HA GLU 51 18.474 -4.212 -4.212 422 1HB GLU 51 1HB GLU 51 20.093 -3.094 -3.094 423 2HB GLU 51 2HB GLU 51 20.512 -4.533 -4.533 424 1HG GLU 51 1HG GLU 51 20.436 -1.676 -1.676 425 2HG GLU 51 2HG GLU 51 21.865 -2.581 -2.581 426 H LYS 52 H LYS 52 16.507 -3.559 -3.559 427 HA LYS 52 HA LYS 52 16.834 -6.389 -6.389 428 1HB LYS 52 1HB LYS 52 15.126 -4.152 -4.152 429 2HB LYS 52 2HB LYS 52 15.344 -5.764 -5.764 430 1HG LYS 52 1HG LYS 52 17.492 -3.579 -3.579 431 2HG LYS 52 2HG LYS 52 16.660 -4.084 -4.084 432 1HD LYS 52 1HD LYS 52 17.739 -6.344 -6.344 433 2HD LYS 52 2HD LYS 52 18.571 -5.908 -5.908 434 1HE LYS 52 1HE LYS 52 18.966 -4.454 -4.454 435 2HE LYS 52 2HE LYS 52 19.996 -5.749 -5.749 436 1HZ LYS 52 3HZ LYS 52 20.578 -4.351 -4.351 437 2HZ LYS 52 1HZ LYS 52 19.617 -3.125 -3.125 438 3HZ LYS 52 2HZ LYS 52 20.943 -3.589 -3.589 439 H LEU 53 H LEU 53 14.415 -4.159 -4.159 440 HA LEU 53 HA LEU 53 12.560 -6.482 -6.482 441 1HB LEU 53 1HB LEU 53 12.162 -3.508 -3.508 442 2HB LEU 53 2HB LEU 53 11.009 -4.774 -4.774 443 HG LEU 53 HG LEU 53 12.005 -3.955 -3.955 444 1HD1 LEU 53 3HD2 LEU 53 10.556 -2.240 -2.240 445 2HD1 LEU 53 1HD2 LEU 53 9.278 -3.450 -3.450 446 3HD1 LEU 53 2HD2 LEU 53 9.749 -2.978 -2.978 447 1HD2 LEU 53 1HD1 LEU 53 9.837 -6.037 -6.037 448 2HD2 LEU 53 2HD1 LEU 53 11.407 -6.367 -6.367 449 3HD2 LEU 53 3HD1 LEU 53 10.183 -5.428 -5.428 450 H LYS 54 H LYS 54 14.237 -7.424 -7.424 451 HA LYS 54 HA LYS 54 14.521 -5.935 -5.935 452 1HB LYS 54 1HB LYS 54 16.571 -5.668 -5.668 453 2HB LYS 54 2HB LYS 54 16.831 -7.379 -7.379 454 1HG LYS 54 1HG LYS 54 18.284 -6.625 -6.625 455 2HG LYS 54 2HG LYS 54 16.910 -6.851 -6.851 456 1HD LYS 54 1HD LYS 54 17.869 -4.198 -4.198 457 2HD LYS 54 2HD LYS 54 18.205 -4.711 -4.711 458 1HE LYS 54 1HE LYS 54 15.418 -3.948 -3.948 459 2HE LYS 54 2HE LYS 54 16.460 -2.943 -2.943 460 1HZ LYS 54 2HZ LYS 54 16.258 -4.563 -4.563 461 2HZ LYS 54 3HZ LYS 54 15.277 -5.525 -5.525 462 3HZ LYS 54 1HZ LYS 54 14.771 -4.018 -4.018 463 H ILE 55 H ILE 55 15.478 -9.124 -9.124 464 HA ILE 55 HA ILE 55 14.565 -10.571 -10.571 465 HB ILE 55 HB ILE 55 15.630 -11.648 -11.648 466 1HG1 ILE 55 1HG1 ILE 55 16.864 -11.618 -11.618 467 2HG1 ILE 55 2HG1 ILE 55 17.220 -10.405 -10.405 468 1HG2 ILE 55 2HG2 ILE 55 14.056 -13.360 -13.360 469 2HG2 ILE 55 3HG2 ILE 55 14.873 -13.268 -13.268 470 3HG2 ILE 55 1HG2 ILE 55 15.722 -13.912 -13.912 471 1HD1 ILE 55 2HD1 ILE 55 18.151 -12.158 -12.158 472 2HD1 ILE 55 3HD1 ILE 55 17.919 -13.376 -13.376 473 3HD1 ILE 55 1HD1 ILE 55 19.023 -12.004 -12.004 474 H ASP 56 H ASP 56 13.433 -10.674 -10.674 475 HA ASP 56 HA ASP 56 10.879 -11.848 -11.848 476 1HB ASP 56 1HB ASP 56 10.153 -11.104 -11.104 477 2HB ASP 56 2HB ASP 56 11.773 -11.746 -11.746 478 H SER 57 H SER 57 11.398 -8.255 -8.255 479 HA SER 57 HA SER 57 8.978 -7.960 -7.960 480 1HB SER 57 1HB SER 57 8.137 -7.622 -7.622 481 2HB SER 57 2HB SER 57 9.332 -6.349 -6.349 482 HG SER 57 HG SER 57 7.313 -5.561 -5.561 Start of MODEL 13 1 1H THR 1 3H THR 1 -22.418 -20.536 -20.536 2 2H THR 1 1H THR 1 -22.986 -21.781 -21.781 3 3H THR 1 2H THR 1 -21.573 -21.952 -21.952 4 HA THR 1 HA THR 1 -20.517 -20.290 -20.290 5 HB THR 1 HB THR 1 -20.225 -22.605 -22.605 6 HG1 THR 1 HG1 THR 1 -20.236 -20.785 -20.785 7 1HG2 THR 1 2HG2 THR 1 -22.482 -23.260 -23.260 8 2HG2 THR 1 3HG2 THR 1 -22.244 -22.159 -22.159 9 3HG2 THR 1 1HG2 THR 1 -21.177 -23.564 -23.564 10 HA PRO 2 HA PRO 2 -23.145 -18.288 -18.288 11 1HB PRO 2 1HB PRO 2 -25.929 -18.392 -18.392 12 2HB PRO 2 2HB PRO 2 -24.973 -19.768 -19.768 13 1HG PRO 2 1HG PRO 2 -26.301 -19.438 -19.438 14 2HG PRO 2 2HG PRO 2 -26.256 -20.873 -20.873 15 1HD PRO 2 1HD PRO 2 -24.534 -20.468 -20.468 16 2HD PRO 2 2HD PRO 2 -24.069 -21.479 -21.479 17 H ASP 3 H ASP 3 -22.570 -16.323 -16.323 18 HA ASP 3 HA ASP 3 -23.777 -14.857 -14.857 19 1HB ASP 3 1HB ASP 3 -21.375 -14.115 -14.115 20 2HB ASP 3 2HB ASP 3 -21.976 -13.123 -13.123 21 H VAL 4 H VAL 4 -25.284 -13.475 -13.475 22 HA VAL 4 HA VAL 4 -25.905 -12.082 -12.082 23 HB VAL 4 HB VAL 4 -28.247 -13.076 -13.076 24 1HG1 VAL 4 3HG1 VAL 4 -28.662 -11.437 -11.437 25 2HG1 VAL 4 1HG1 VAL 4 -27.939 -12.546 -12.546 26 3HG1 VAL 4 2HG1 VAL 4 -29.451 -12.986 -12.986 27 1HG2 VAL 4 2HG2 VAL 4 -26.938 -14.864 -14.864 28 2HG2 VAL 4 3HG2 VAL 4 -27.075 -15.250 -15.250 29 3HG2 VAL 4 1HG2 VAL 4 -28.536 -15.139 -15.139 30 H SER 5 H SER 5 -26.610 -12.074 -12.074 31 HA SER 5 HA SER 5 -28.173 -9.587 -9.587 32 1HB SER 5 1HB SER 5 -27.101 -11.077 -11.077 33 2HB SER 5 2HB SER 5 -28.219 -9.711 -9.711 34 HG SER 5 HG SER 5 -29.277 -11.698 -11.698 35 H SER 6 H SER 6 -26.825 -8.259 -8.259 36 HA SER 6 HA SER 6 -25.359 -6.443 -6.443 37 1HB SER 6 1HB SER 6 -24.879 -6.315 -6.315 38 2HB SER 6 2HB SER 6 -24.277 -5.171 -5.171 39 HG SER 6 HG SER 6 -26.220 -4.511 -4.511 40 H ALA 7 H ALA 7 -24.433 -8.510 -8.510 41 HA ALA 7 HA ALA 7 -21.679 -9.228 -9.228 42 1HB ALA 7 2HB ALA 7 -23.105 -11.063 -11.063 43 2HB ALA 7 3HB ALA 7 -23.226 -10.333 -10.333 44 3HB ALA 7 1HB ALA 7 -21.656 -10.916 -10.916 45 H LEU 8 H LEU 8 -22.918 -8.131 -8.131 46 HA LEU 8 HA LEU 8 -20.343 -6.940 -6.940 47 1HB LEU 8 1HB LEU 8 -22.088 -7.892 -7.892 48 2HB LEU 8 2HB LEU 8 -23.125 -6.529 -6.529 49 HG LEU 8 HG LEU 8 -21.915 -6.564 -6.564 50 1HD1 LEU 8 2HD1 LEU 8 -22.794 -4.394 -4.394 51 2HD1 LEU 8 3HD1 LEU 8 -21.180 -4.017 -4.017 52 3HD1 LEU 8 1HD1 LEU 8 -21.414 -4.199 -4.199 53 1HD2 LEU 8 3HD2 LEU 8 -19.700 -7.485 -7.485 54 2HD2 LEU 8 1HD2 LEU 8 -19.532 -6.015 -6.015 55 3HD2 LEU 8 2HD2 LEU 8 -19.308 -5.931 -5.931 56 H ASP 9 H ASP 9 -23.250 -5.541 -5.541 57 HA ASP 9 HA ASP 9 -22.719 -2.742 -2.742 58 1HB ASP 9 1HB ASP 9 -24.850 -3.846 -3.846 59 2HB ASP 9 2HB ASP 9 -24.085 -4.163 -4.163 60 H LYS 10 H LYS 10 -21.407 -4.860 -4.860 61 HA LYS 10 HA LYS 10 -20.262 -2.644 -2.644 62 1HB LYS 10 2HB LYS 10 -19.550 -5.620 -5.620 63 2HB LYS 10 1HB LYS 10 -18.952 -4.422 -4.422 64 1HG LYS 10 1HG LYS 10 -21.911 -5.212 -5.212 65 2HG LYS 10 2HG LYS 10 -20.806 -5.758 -5.758 66 1HD LYS 10 1HD LYS 10 -21.819 -4.152 -4.152 67 2HD LYS 10 2HD LYS 10 -20.538 -3.146 -3.146 68 1HE LYS 10 1HE LYS 10 -22.223 -2.346 -2.346 69 2HE LYS 10 2HE LYS 10 -23.454 -3.340 -3.340 70 1HZ LYS 10 3HZ LYS 10 -23.155 -2.025 -2.025 71 2HZ LYS 10 1HZ LYS 10 -21.995 -1.098 -1.098 72 3HZ LYS 10 2HZ LYS 10 -23.551 -1.054 -1.054 73 H LEU 11 H LEU 11 -18.632 -4.678 -4.678 74 HA LEU 11 HA LEU 11 -16.077 -3.222 -3.222 75 1HB LEU 11 1HB LEU 11 -14.993 -4.347 -4.347 76 2HB LEU 11 2HB LEU 11 -15.771 -5.475 -5.475 77 HG LEU 11 HG LEU 11 -17.083 -4.727 -4.727 78 1HD1 LEU 11 3HD2 LEU 11 -14.738 -5.389 -5.389 79 2HD1 LEU 11 1HD2 LEU 11 -14.921 -6.893 -6.893 80 3HD1 LEU 11 2HD2 LEU 11 -15.879 -6.631 -6.631 81 1HD2 LEU 11 3HD1 LEU 11 -17.223 -7.288 -7.288 82 2HD2 LEU 11 1HD1 LEU 11 -18.504 -6.067 -6.067 83 3HD2 LEU 11 2HD1 LEU 11 -18.037 -7.054 -7.054 84 H LYS 12 H LYS 12 -18.708 -2.721 -2.721 85 HA LYS 12 HA LYS 12 -17.232 -0.582 -0.582 86 1HB LYS 12 1HB LYS 12 -19.208 0.097 0.097 87 2HB LYS 12 2HB LYS 12 -18.992 -1.634 -1.634 88 1HG LYS 12 1HG LYS 12 -20.812 -2.035 -2.035 89 2HG LYS 12 2HG LYS 12 -20.992 -0.309 -0.309 90 1HD LYS 12 1HD LYS 12 -21.671 0.099 0.099 91 2HD LYS 12 2HD LYS 12 -21.419 -1.600 -1.600 92 1HE LYS 12 1HE LYS 12 -23.249 -2.293 -2.293 93 2HE LYS 12 2HE LYS 12 -23.483 -0.613 -0.613 94 1HZ LYS 12 2HZ LYS 12 -23.878 -1.643 -1.643 95 2HZ LYS 12 3HZ LYS 12 -25.075 -1.262 -1.262 96 3HZ LYS 12 1HZ LYS 12 -24.099 -0.074 -0.074 97 H GLU 13 H GLU 13 -19.454 -0.500 -0.500 98 HA GLU 13 HA GLU 13 -19.216 2.433 2.433 99 1HB GLU 13 1HB GLU 13 -21.157 1.075 1.075 100 2HB GLU 13 2HB GLU 13 -20.086 0.245 0.245 101 1HG GLU 13 1HG GLU 13 -21.366 1.939 1.939 102 2HG GLU 13 2HG GLU 13 -19.673 2.369 2.369 103 H PHE 14 H PHE 14 -17.243 -0.320 -0.320 104 HA PHE 14 HA PHE 14 -15.499 1.199 1.199 105 1HB PHE 14 1HB PHE 14 -15.541 -1.240 -1.240 106 2HB PHE 14 2HB PHE 14 -14.983 -1.408 -1.408 107 HD1 PHE 14 HD2 PHE 14 -13.955 -0.150 -0.150 108 HD2 PHE 14 HD1 PHE 14 -12.599 -1.414 -1.414 109 HE1 PHE 14 HE2 PHE 14 -11.616 -0.072 -0.072 110 HE2 PHE 14 HE1 PHE 14 -10.270 -1.331 -1.331 111 HZ PHE 14 HZ PHE 14 -9.773 -0.654 -0.654 112 H GLY 15 H GLY 15 -15.144 0.503 0.503 113 1HA GLY 15 1HA GLY 15 -12.750 2.123 2.123 114 2HA GLY 15 2HA GLY 15 -13.951 1.772 1.772 115 H ASN 16 H ASN 16 -16.199 3.081 3.081 116 HA ASN 16 HA ASN 16 -15.822 5.908 5.908 117 1HB ASN 16 1HB ASN 16 -18.083 4.559 4.559 118 2HB ASN 16 2HB ASN 16 -18.139 6.213 6.213 119 1HD2 ASN 16 1HD2 ASN 16 -20.016 4.035 4.035 120 2HD2 ASN 16 2HD2 ASN 16 -20.015 4.203 4.203 121 H THR 17 H THR 17 -15.877 4.342 4.342 122 HA THR 17 HA THR 17 -15.761 6.876 6.876 123 HB THR 17 HB THR 17 -14.985 5.522 5.522 124 HG1 THR 17 HG1 THR 17 -14.083 3.810 3.810 125 1HG2 THR 17 1HG2 THR 17 -17.365 6.076 6.076 126 2HG2 THR 17 2HG2 THR 17 -17.592 4.622 4.622 127 3HG2 THR 17 3HG2 THR 17 -17.167 4.458 4.458 128 H LEU 18 H LEU 18 -12.999 4.545 4.545 129 HA LEU 18 HA LEU 18 -11.186 6.718 6.718 130 1HB LEU 18 1HB LEU 18 -9.417 5.335 5.335 131 2HB LEU 18 2HB LEU 18 -10.746 4.312 4.312 132 HG LEU 18 HG LEU 18 -9.276 4.266 4.266 133 1HD1 LEU 18 3HD2 LEU 18 -7.851 3.476 3.476 134 2HD1 LEU 18 1HD2 LEU 18 -9.100 2.298 2.298 135 3HD1 LEU 18 2HD2 LEU 18 -8.255 2.132 2.132 136 1HD2 LEU 18 2HD1 LEU 18 -11.404 2.284 2.284 137 2HD2 LEU 18 3HD1 LEU 18 -11.607 3.431 3.431 138 3HD2 LEU 18 1HD1 LEU 18 -10.454 2.094 2.094 139 H GLU 19 H GLU 19 -12.537 6.484 6.484 140 HA GLU 19 HA GLU 19 -10.396 7.868 7.868 141 1HB GLU 19 1HB GLU 19 -11.935 6.407 6.407 142 2HB GLU 19 2HB GLU 19 -13.304 7.358 7.358 143 1HG GLU 19 1HG GLU 19 -12.781 7.942 7.942 144 2HG GLU 19 2HG GLU 19 -12.478 9.347 9.347 145 H ASP 20 H ASP 20 -13.615 8.712 8.712 146 HA ASP 20 HA ASP 20 -13.271 11.603 11.603 147 1HB ASP 20 1HB ASP 20 -15.467 10.371 10.371 148 2HB ASP 20 2HB ASP 20 -15.001 9.946 9.946 149 H LYS 21 H LYS 21 -12.466 9.320 9.320 150 HA LYS 21 HA LYS 21 -11.420 11.368 11.368 151 1HB LYS 21 1HB LYS 21 -12.072 8.915 8.915 152 2HB LYS 21 2HB LYS 21 -10.525 8.431 8.431 153 1HG LYS 21 1HG LYS 21 -10.286 8.560 8.560 154 2HG LYS 21 2HG LYS 21 -9.346 9.887 9.887 155 1HD LYS 21 1HD LYS 21 -11.319 11.478 11.478 156 2HD LYS 21 2HD LYS 21 -12.172 10.102 10.102 157 1HE LYS 21 1HE LYS 21 -11.226 11.277 11.277 158 2HE LYS 21 2HE LYS 21 -10.274 9.801 9.801 159 1HZ LYS 21 3HZ LYS 21 -9.468 12.498 12.498 160 2HZ LYS 21 1HZ LYS 21 -8.872 11.745 11.745 161 3HZ LYS 21 2HZ LYS 21 -8.558 11.128 11.128 162 H ALA 22 H ALA 22 -9.671 9.471 9.471 163 HA ALA 22 HA ALA 22 -7.011 10.629 10.629 164 1HB ALA 22 2HB ALA 22 -7.237 8.535 8.535 165 2HB ALA 22 3HB ALA 22 -8.089 9.391 9.391 166 3HB ALA 22 1HB ALA 22 -6.383 9.762 9.762 167 H ARG 23 H ARG 23 -9.601 11.651 11.651 168 HA ARG 23 HA ARG 23 -8.235 14.022 14.022 169 1HB ARG 23 1HB ARG 23 -10.273 12.861 12.861 170 2HB ARG 23 2HB ARG 23 -11.260 13.544 13.544 171 1HG ARG 23 1HG ARG 23 -10.628 15.874 15.874 172 2HG ARG 23 2HG ARG 23 -9.609 15.156 15.156 173 1HD ARG 23 1HD ARG 23 -11.668 14.003 14.003 174 2HD ARG 23 2HD ARG 23 -12.671 14.764 14.764 175 HE ARG 23 HE ARG 23 -11.162 16.846 16.846 176 1HH1 ARG 23 1HH1 ARG 23 -13.915 14.645 14.645 177 2HH1 ARG 23 2HH1 ARG 23 -14.631 15.795 15.795 178 1HH2 ARG 23 1HH2 ARG 23 -12.073 18.079 18.079 179 2HH2 ARG 23 2HH2 ARG 23 -13.656 17.607 17.607 180 H GLU 24 H GLU 24 -10.393 13.660 13.660 181 HA GLU 24 HA GLU 24 -10.302 16.403 16.403 182 1HB GLU 24 1HB GLU 24 -11.886 14.558 14.558 183 2HB GLU 24 2HB GLU 24 -10.558 13.768 13.768 184 1HG GLU 24 1HG GLU 24 -10.316 15.870 15.870 185 2HG GLU 24 2HG GLU 24 -11.701 16.569 16.569 186 H LEU 25 H LEU 25 -8.040 13.662 13.662 187 HA LEU 25 HA LEU 25 -6.281 15.230 15.230 188 1HB LEU 25 2HB LEU 25 -5.814 12.607 12.607 189 2HB LEU 25 1HB LEU 25 -4.607 13.300 13.300 190 HG LEU 25 HG LEU 25 -7.429 12.606 12.606 191 1HD1 LEU 25 2HD1 LEU 25 -6.374 10.540 10.540 192 2HD1 LEU 25 3HD1 LEU 25 -4.914 10.829 10.829 193 3HD1 LEU 25 1HD1 LEU 25 -6.478 10.487 10.487 194 1HD2 LEU 25 2HD2 LEU 25 -4.788 13.108 13.108 195 2HD2 LEU 25 3HD2 LEU 25 -6.192 14.201 14.201 196 3HD2 LEU 25 1HD2 LEU 25 -6.337 12.617 12.617 197 H ILE 26 H ILE 26 -6.135 14.617 14.617 198 HA ILE 26 HA ILE 26 -3.535 15.899 15.899 199 HB ILE 26 HB ILE 26 -5.856 15.292 15.292 200 1HG1 ILE 26 1HG1 ILE 26 -3.014 14.047 14.047 201 2HG1 ILE 26 2HG1 ILE 26 -4.325 13.415 13.415 202 1HG2 ILE 26 3HG2 ILE 26 -3.100 16.405 16.405 203 2HG2 ILE 26 1HG2 ILE 26 -4.324 15.731 15.731 204 3HG2 ILE 26 2HG2 ILE 26 -4.676 17.206 17.206 205 1HD1 ILE 26 2HD1 ILE 26 -5.681 12.933 12.933 206 2HD1 ILE 26 3HD1 ILE 26 -4.289 13.452 13.452 207 3HD1 ILE 26 1HD1 ILE 26 -4.131 12.050 12.050 208 H SER 27 H SER 27 -6.826 17.375 17.375 209 HA SER 27 HA SER 27 -5.985 20.073 20.073 210 1HB SER 27 1HB SER 27 -8.030 20.922 20.922 211 2HB SER 27 2HB SER 27 -8.355 19.482 19.482 212 HG SER 27 HG SER 27 -9.400 19.466 19.466 213 H ARG 28 H ARG 28 -5.853 18.547 18.547 214 HA ARG 28 HA ARG 28 -4.629 20.944 20.944 215 1HB ARG 28 1HB ARG 28 -4.646 18.021 18.021 216 2HB ARG 28 2HB ARG 28 -4.003 19.390 19.390 217 1HG ARG 28 1HG ARG 28 -6.005 19.172 19.172 218 2HG ARG 28 2HG ARG 28 -6.380 20.463 20.463 219 1HD ARG 28 1HD ARG 28 -7.495 18.772 18.772 220 2HD ARG 28 2HD ARG 28 -7.043 17.465 17.465 221 HE ARG 28 HE ARG 28 -8.482 18.661 18.661 222 1HH1 ARG 28 1HH1 ARG 28 -9.298 18.980 18.980 223 2HH1 ARG 28 2HH1 ARG 28 -11.065 19.210 19.210 224 1HH2 ARG 28 1HH2 ARG 28 -10.508 18.930 18.930 225 2HH2 ARG 28 2HH2 ARG 28 -11.700 19.183 19.183 226 H ILE 29 H ILE 29 -3.317 17.831 17.831 227 HA ILE 29 HA ILE 29 -0.505 18.428 18.428 228 HB ILE 29 HB ILE 29 -1.845 16.206 16.206 229 1HG1 ILE 29 1HG1 ILE 29 -2.435 16.014 16.014 230 2HG1 ILE 29 2HG1 ILE 29 -1.259 14.782 14.782 231 1HG2 ILE 29 2HG2 ILE 29 0.460 16.314 16.314 232 2HG2 ILE 29 3HG2 ILE 29 1.132 16.233 16.233 233 3HG2 ILE 29 1HG2 ILE 29 0.219 14.861 14.861 234 1HD1 ILE 29 2HD1 ILE 29 0.552 16.281 16.281 235 2HD1 ILE 29 3HD1 ILE 29 -0.769 17.373 17.373 236 3HD1 ILE 29 1HD1 ILE 29 -0.733 15.699 15.699 237 H LYS 30 H LYS 30 -1.727 17.698 17.698 238 HA LYS 30 HA LYS 30 -1.187 18.394 18.394 239 1HB LYS 30 1HB LYS 30 -2.210 20.602 20.602 240 2HB LYS 30 2HB LYS 30 -0.605 21.243 21.243 241 1HG LYS 30 1HG LYS 30 -1.865 21.923 21.923 242 2HG LYS 30 2HG LYS 30 -0.805 20.660 20.660 243 1HD LYS 30 1HD LYS 30 -2.746 18.987 18.987 244 2HD LYS 30 2HD LYS 30 -3.750 20.244 20.244 245 1HE LYS 30 1HE LYS 30 -4.390 20.055 20.055 246 2HE LYS 30 2HE LYS 30 -3.535 21.590 21.590 247 1HZ LYS 30 1HZ LYS 30 -2.365 19.042 19.042 248 2HZ LYS 30 2HZ LYS 30 -2.827 20.337 20.337 249 3HZ LYS 30 3HZ LYS 30 -1.546 20.471 20.471 250 H GLN 31 H GLN 31 0.595 16.932 16.932 251 HA GLN 31 HA GLN 31 2.710 16.195 16.195 252 1HB GLN 31 1HB GLN 31 2.415 17.160 17.160 253 2HB GLN 31 2HB GLN 31 3.514 18.434 18.434 254 1HG GLN 31 1HG GLN 31 5.165 16.515 16.515 255 2HG GLN 31 2HG GLN 31 4.054 15.389 15.389 256 1HE2 GLN 31 2HE2 GLN 31 6.515 17.563 17.563 257 2HE2 GLN 31 1HE2 GLN 31 6.473 17.804 17.804 258 H SER 32 H SER 32 2.408 17.392 17.392 259 HA SER 32 HA SER 32 4.446 19.025 19.025 260 1HB SER 32 1HB SER 32 3.451 16.528 16.528 261 2HB SER 32 2HB SER 32 4.355 17.846 17.846 262 HG SER 32 HG SER 32 1.887 18.097 18.097 263 H GLU 33 H GLU 33 5.301 15.593 15.593 264 HA GLU 33 HA GLU 33 7.144 14.419 14.419 265 1HB GLU 33 1HB GLU 33 8.224 16.473 16.473 266 2HB GLU 33 2HB GLU 33 8.992 16.803 16.803 267 1HG GLU 33 1HG GLU 33 10.076 14.494 14.494 268 2HG GLU 33 2HG GLU 33 9.224 14.148 14.148 269 H LEU 34 H LEU 34 5.818 15.660 15.660 270 HA LEU 34 HA LEU 34 7.295 13.834 13.834 271 1HB LEU 34 1HB LEU 34 6.682 16.128 16.128 272 2HB LEU 34 2HB LEU 34 5.006 15.791 15.791 273 HG LEU 34 HG LEU 34 5.190 13.688 13.688 274 1HD1 LEU 34 3HD1 LEU 34 7.849 15.005 15.005 275 2HD1 LEU 34 1HD1 LEU 34 7.031 13.656 13.656 276 3HD1 LEU 34 2HD1 LEU 34 7.683 13.424 13.424 277 1HD2 LEU 34 3HD2 LEU 34 4.061 15.776 15.776 278 2HD2 LEU 34 1HD2 LEU 34 4.904 15.005 15.005 279 3HD2 LEU 34 2HD2 LEU 34 5.609 16.445 16.445 280 H SER 35 H SER 35 4.261 14.818 14.818 281 HA SER 35 HA SER 35 3.381 11.924 11.924 282 1HB SER 35 1HB SER 35 1.529 14.317 14.317 283 2HB SER 35 2HB SER 35 1.009 12.719 12.719 284 HG SER 35 HG SER 35 0.797 12.937 12.937 285 H ALA 36 H ALA 36 3.291 11.484 11.484 286 HA ALA 36 HA ALA 36 3.260 11.727 11.727 287 1HB ALA 36 2HB ALA 36 3.538 14.153 14.153 288 2HB ALA 36 3HB ALA 36 5.152 14.074 14.074 289 3HB ALA 36 1HB ALA 36 4.844 13.257 13.257 290 H LYS 37 H LYS 37 5.674 12.121 12.121 291 HA LYS 37 HA LYS 37 7.205 9.688 9.688 292 1HB LYS 37 1HB LYS 37 7.392 11.253 11.253 293 2HB LYS 37 2HB LYS 37 8.218 9.733 9.733 294 1HG LYS 37 1HG LYS 37 8.664 12.219 12.219 295 2HG LYS 37 2HG LYS 37 9.622 11.796 11.796 296 1HD LYS 37 1HD LYS 37 10.319 9.610 9.610 297 2HD LYS 37 2HD LYS 37 9.363 10.032 10.032 298 1HE LYS 37 1HE LYS 37 11.631 10.556 10.556 299 2HE LYS 37 2HE LYS 37 10.790 12.094 12.094 300 1HZ LYS 37 3HZ LYS 37 12.548 10.853 10.853 301 2HZ LYS 37 1HZ LYS 37 12.945 12.128 12.128 302 3HZ LYS 37 2HZ LYS 37 11.767 12.297 12.297 303 H MET 38 H MET 38 4.499 10.409 10.409 304 HA MET 38 HA MET 38 4.253 7.526 7.526 305 1HB MET 38 1HB MET 38 2.343 9.931 9.931 306 2HB MET 38 2HB MET 38 2.063 8.340 8.340 307 1HG MET 38 1HG MET 38 4.406 10.147 10.147 308 2HG MET 38 2HG MET 38 2.978 9.820 9.820 309 1HE MET 38 3HE MET 38 2.508 7.510 7.510 310 2HE MET 38 2HE MET 38 2.527 6.525 6.525 311 3HE MET 38 1HE MET 38 3.547 6.058 6.058 312 H ARG 39 H ARG 39 3.485 8.793 8.793 313 HA ARG 39 HA ARG 39 1.405 6.630 6.630 314 1HB ARG 39 1HB ARG 39 0.000 8.114 8.114 315 2HB ARG 39 2HB ARG 39 -0.095 8.360 8.360 316 1HG ARG 39 1HG ARG 39 1.331 10.387 10.387 317 2HG ARG 39 2HG ARG 39 1.528 10.179 10.179 318 1HD ARG 39 1HD ARG 39 -0.958 10.500 10.500 319 2HD ARG 39 2HD ARG 39 -1.190 10.610 10.610 320 HE ARG 39 HE ARG 39 0.091 12.770 12.770 321 1HH1 ARG 39 1HH1 ARG 39 -0.674 11.700 11.700 322 2HH1 ARG 39 2HH1 ARG 39 -0.370 13.400 13.400 323 1HH2 ARG 39 1HH2 ARG 39 0.395 14.644 14.644 324 2HH2 ARG 39 2HH2 ARG 39 0.194 14.949 14.949 325 H GLU 40 H GLU 40 3.364 8.977 8.977 326 HA GLU 40 HA GLU 40 3.456 7.107 7.107 327 1HB GLU 40 1HB GLU 40 5.048 9.651 9.651 328 2HB GLU 40 2HB GLU 40 5.303 8.620 8.620 329 1HG GLU 40 1HG GLU 40 3.915 10.323 10.323 330 2HG GLU 40 2HG GLU 40 2.895 8.903 8.903 331 H TRP 41 H TRP 41 6.044 8.108 8.108 332 HA TRP 41 HA TRP 41 7.849 5.851 5.851 333 1HB TRP 41 1HB TRP 41 8.643 7.995 7.995 334 2HB TRP 41 2HB TRP 41 7.723 7.702 7.702 335 HD1 TRP 41 HD1 TRP 41 11.108 6.935 6.935 336 HE1 TRP 41 HE1 TRP 41 12.702 5.723 5.723 337 HE3 TRP 41 HE3 TRP 41 7.502 5.812 5.812 338 HZ2 TRP 41 HZ2 TRP 41 12.262 4.515 4.515 339 HZ3 TRP 41 HZ3 TRP 41 8.146 4.630 4.630 340 HH2 TRP 41 HH2 TRP 41 10.488 3.989 3.989 341 H PHE 42 H PHE 42 5.153 6.122 6.122 342 HA PHE 42 HA PHE 42 5.788 3.680 3.680 343 1HB PHE 42 1HB PHE 42 4.083 5.525 5.525 344 2HB PHE 42 2HB PHE 42 2.974 4.839 4.839 345 HD1 PHE 42 HD2 PHE 42 4.785 4.346 4.346 346 HD2 PHE 42 HD1 PHE 42 1.765 2.732 2.732 347 HE1 PHE 42 HE2 PHE 42 3.926 2.954 2.954 348 HE2 PHE 42 HE1 PHE 42 0.925 1.343 1.343 349 HZ PHE 42 HZ PHE 42 1.990 1.464 1.464 350 H SER 43 H SER 43 4.047 4.180 4.180 351 HA SER 43 HA SER 43 3.028 1.385 1.385 352 1HB SER 43 1HB SER 43 1.920 3.342 3.342 353 2HB SER 43 2HB SER 43 3.365 3.629 3.629 354 HG SER 43 HG SER 43 1.811 1.249 1.249 355 H GLU 44 H GLU 44 5.842 3.213 3.213 356 HA GLU 44 HA GLU 44 7.161 0.954 0.954 357 1HB GLU 44 1HB GLU 44 8.159 3.667 3.667 358 2HB GLU 44 2HB GLU 44 9.280 2.530 2.530 359 1HG GLU 44 1HG GLU 44 6.771 3.451 3.451 360 2HG GLU 44 2HG GLU 44 8.304 4.314 4.314 361 H THR 45 H THR 45 7.352 2.086 2.086 362 HA THR 45 HA THR 45 9.421 -0.097 -0.097 363 HB THR 45 HB THR 45 9.361 2.735 2.735 364 HG1 THR 45 HG1 THR 45 11.127 3.119 3.119 365 1HG2 THR 45 1HG2 THR 45 11.638 0.641 0.641 366 2HG2 THR 45 2HG2 THR 45 11.821 2.343 2.343 367 3HG2 THR 45 3HG2 THR 45 10.727 1.277 1.277 368 H PHE 46 H PHE 46 7.076 -0.712 -0.712 369 HA PHE 46 HA PHE 46 7.166 -1.003 -1.003 370 1HB PHE 46 1HB PHE 46 5.427 0.749 0.749 371 2HB PHE 46 2HB PHE 46 4.488 -0.361 -0.361 372 HD1 PHE 46 HD2 PHE 46 5.949 0.095 0.095 373 HD2 PHE 46 HD1 PHE 46 2.838 -1.730 -1.730 374 HE1 PHE 46 HE2 PHE 46 4.763 -0.558 -0.558 375 HE2 PHE 46 HE1 PHE 46 1.665 -2.365 -2.365 376 HZ PHE 46 HZ PHE 46 2.618 -1.779 -1.779 377 H GLN 47 H GLN 47 5.176 -2.310 -2.310 378 HA GLN 47 HA GLN 47 5.382 -5.101 -5.101 379 1HB GLN 47 1HB GLN 47 4.311 -4.116 -4.116 380 2HB GLN 47 2HB GLN 47 4.269 -5.779 -5.779 381 1HG GLN 47 1HG GLN 47 2.771 -3.426 -3.426 382 2HG GLN 47 2HG GLN 47 2.082 -4.667 -4.667 383 1HE2 GLN 47 2HE2 GLN 47 1.896 -5.446 -5.446 384 2HE2 GLN 47 1HE2 GLN 47 2.003 -3.805 -3.805 385 H LYS 48 H LYS 48 7.177 -3.207 -3.207 386 HA LYS 48 HA LYS 48 8.876 -5.354 -5.354 387 1HB LYS 48 1HB LYS 48 8.630 -3.032 -3.032 388 2HB LYS 48 2HB LYS 48 9.497 -2.368 -2.368 389 1HG LYS 48 1HG LYS 48 11.546 -3.725 -3.725 390 2HG LYS 48 2HG LYS 48 10.641 -4.367 -4.367 391 1HD LYS 48 1HD LYS 48 10.306 -2.010 -2.010 392 2HD LYS 48 2HD LYS 48 11.199 -1.373 -1.373 393 1HE LYS 48 1HE LYS 48 13.271 -2.649 -2.649 394 2HE LYS 48 2HE LYS 48 12.383 -3.296 -3.296 395 1HZ LYS 48 2HZ LYS 48 12.065 -1.005 -1.005 396 2HZ LYS 48 3HZ LYS 48 12.892 -0.402 -0.402 397 3HZ LYS 48 1HZ LYS 48 13.671 -1.343 -1.343 398 H VAL 49 H VAL 49 9.264 -3.268 -3.268 399 HA VAL 49 HA VAL 49 11.763 -4.505 -4.505 400 HB VAL 49 HB VAL 49 9.689 -3.385 -3.385 401 1HG1 VAL 49 3HG1 VAL 49 11.687 -4.417 -4.417 402 2HG1 VAL 49 1HG1 VAL 49 12.774 -3.362 -3.362 403 3HG1 VAL 49 2HG1 VAL 49 11.674 -2.674 -2.674 404 1HG2 VAL 49 2HG2 VAL 49 9.919 -1.565 -1.565 405 2HG2 VAL 49 3HG2 VAL 49 10.679 -1.068 -1.068 406 3HG2 VAL 49 1HG2 VAL 49 11.691 -1.610 -1.610 407 H LYS 50 H LYS 50 8.326 -5.293 -5.293 408 HA LYS 50 HA LYS 50 8.982 -7.323 -7.323 409 1HB LYS 50 1HB LYS 50 6.391 -6.947 -6.947 410 2HB LYS 50 2HB LYS 50 6.544 -8.142 -8.142 411 1HG LYS 50 1HG LYS 50 6.956 -6.411 -6.411 412 2HG LYS 50 2HG LYS 50 6.973 -5.138 -5.138 413 1HD LYS 50 1HD LYS 50 4.585 -5.721 -5.721 414 2HD LYS 50 2HD LYS 50 4.530 -6.920 -6.920 415 1HE LYS 50 1HE LYS 50 5.026 -3.888 -3.888 416 2HE LYS 50 2HE LYS 50 3.457 -4.677 -4.677 417 1HZ LYS 50 1HZ LYS 50 4.323 -6.014 -6.014 418 2HZ LYS 50 2HZ LYS 50 5.801 -5.286 -5.286 419 3HZ LYS 50 3HZ LYS 50 4.474 -4.401 -4.401 420 H GLU 51 H GLU 51 8.265 -7.706 -7.706 421 HA GLU 51 HA GLU 51 8.881 -10.602 -10.602 422 1HB GLU 51 1HB GLU 51 9.079 -8.418 -8.418 423 2HB GLU 51 2HB GLU 51 9.288 -10.127 -10.127 424 1HG GLU 51 1HG GLU 51 6.674 -8.826 -8.826 425 2HG GLU 51 2HG GLU 51 7.040 -9.286 -9.286 426 H LYS 52 H LYS 52 10.966 -7.744 -7.744 427 HA LYS 52 HA LYS 52 13.437 -9.531 -9.531 428 1HB LYS 52 1HB LYS 52 13.263 -6.535 -6.535 429 2HB LYS 52 2HB LYS 52 14.658 -7.564 -7.564 430 1HG LYS 52 1HG LYS 52 12.032 -7.777 -7.777 431 2HG LYS 52 2HG LYS 52 13.517 -7.011 -7.011 432 1HD LYS 52 1HD LYS 52 14.732 -9.230 -9.230 433 2HD LYS 52 2HD LYS 52 13.243 -10.016 -10.016 434 1HE LYS 52 1HE LYS 52 12.093 -9.348 -9.348 435 2HE LYS 52 2HE LYS 52 13.583 -8.566 -8.566 436 1HZ LYS 52 1HZ LYS 52 14.697 -10.735 -10.735 437 2HZ LYS 52 2HZ LYS 52 13.307 -11.464 -11.464 438 3HZ LYS 52 3HZ LYS 52 13.385 -10.810 -10.810 439 H LEU 53 H LEU 53 12.235 -9.331 -9.331 440 HA LEU 53 HA LEU 53 13.875 -7.725 -7.725 441 1HB LEU 53 1HB LEU 53 12.382 -10.340 -10.340 442 2HB LEU 53 2HB LEU 53 13.217 -9.541 -9.541 443 HG LEU 53 HG LEU 53 10.956 -8.233 -8.233 444 1HD1 LEU 53 3HD2 LEU 53 10.116 -10.207 -10.207 445 2HD1 LEU 53 1HD2 LEU 53 10.816 -9.572 -9.572 446 3HD1 LEU 53 2HD2 LEU 53 9.492 -8.700 -8.700 447 1HD2 LEU 53 1HD1 LEU 53 12.278 -7.307 -7.307 448 2HD2 LEU 53 2HD1 LEU 53 12.419 -6.498 -6.498 449 3HD2 LEU 53 3HD1 LEU 53 10.851 -6.562 -6.562 450 H LYS 54 H LYS 54 16.197 -8.047 -8.047 451 HA LYS 54 HA LYS 54 17.375 -10.648 -10.648 452 1HB LYS 54 1HB LYS 54 18.896 -10.861 -10.861 453 2HB LYS 54 2HB LYS 54 17.318 -10.722 -10.722 454 1HG LYS 54 1HG LYS 54 19.392 -8.429 -8.429 455 2HG LYS 54 2HG LYS 54 19.259 -9.598 -9.598 456 1HD LYS 54 1HD LYS 54 16.923 -8.829 -8.829 457 2HD LYS 54 2HD LYS 54 17.027 -7.632 -7.632 458 1HE LYS 54 1HE LYS 54 19.019 -6.550 -6.550 459 2HE LYS 54 2HE LYS 54 18.870 -7.726 -7.726 460 1HZ LYS 54 1HZ LYS 54 16.620 -6.878 -6.878 461 2HZ LYS 54 2HZ LYS 54 16.759 -5.779 -5.779 462 3HZ LYS 54 3HZ LYS 54 17.734 -5.661 -5.661 463 H ILE 55 H ILE 55 19.441 -10.616 -10.616 464 HA ILE 55 HA ILE 55 20.201 -8.202 -8.202 465 HB ILE 55 HB ILE 55 22.083 -9.310 -9.310 466 1HG1 ILE 55 1HG1 ILE 55 23.025 -10.763 -10.763 467 2HG1 ILE 55 2HG1 ILE 55 22.647 -11.661 -11.661 468 1HG2 ILE 55 2HG2 ILE 55 19.885 -9.513 -9.513 469 2HG2 ILE 55 3HG2 ILE 55 19.557 -11.029 -11.029 470 3HG2 ILE 55 1HG2 ILE 55 20.888 -10.942 -10.942 471 1HD1 ILE 55 3HD1 ILE 55 20.539 -12.578 -12.578 472 2HD1 ILE 55 1HD1 ILE 55 21.094 -11.762 -11.762 473 3HD1 ILE 55 2HD1 ILE 55 22.086 -13.041 -13.041 474 H ASP 56 H ASP 56 21.961 -9.814 -9.814 475 HA ASP 56 HA ASP 56 23.388 -7.134 -7.134 476 1HB ASP 56 1HB ASP 56 24.427 -9.992 -9.992 477 2HB ASP 56 2HB ASP 56 25.196 -8.564 -8.564 478 H SER 57 H SER 57 23.353 -9.785 -9.785 479 HA SER 57 HA SER 57 21.145 -8.473 -8.473 480 1HB SER 57 1HB SER 57 23.252 -7.214 -7.214 481 2HB SER 57 2HB SER 57 24.011 -8.727 -8.727 482 HG SER 57 HG SER 57 23.026 -7.597 -7.597 Start of MODEL 14 1 1H THR 1 2H THR 1 -42.086 -6.060 -6.060 2 2H THR 1 3H THR 1 -41.986 -5.314 -5.314 3 3H THR 1 1H THR 1 -43.459 -5.756 -5.756 4 HA THR 1 HA THR 1 -43.281 -4.294 -4.294 5 HB THR 1 HB THR 1 -44.484 -3.590 -3.590 6 HG1 THR 1 HG1 THR 1 -44.516 -1.427 -1.427 7 1HG2 THR 1 2HG2 THR 1 -42.674 -3.304 -3.304 8 2HG2 THR 1 3HG2 THR 1 -42.033 -1.905 -1.905 9 3HG2 THR 1 1HG2 THR 1 -43.660 -1.838 -1.838 10 HA PRO 2 HA PRO 2 -39.323 -1.695 -1.695 11 1HB PRO 2 1HB PRO 2 -37.000 -2.395 -2.395 12 2HB PRO 2 2HB PRO 2 -38.336 -1.599 -1.599 13 1HG PRO 2 1HG PRO 2 -37.673 -4.560 -4.560 14 2HG PRO 2 2HG PRO 2 -38.154 -3.537 -3.537 15 1HD PRO 2 1HD PRO 2 -39.922 -5.192 -5.192 16 2HD PRO 2 2HD PRO 2 -40.480 -3.729 -3.729 17 H ASP 3 H ASP 3 -38.967 -2.049 -2.049 18 HA ASP 3 HA ASP 3 -37.858 -4.656 -4.656 19 1HB ASP 3 1HB ASP 3 -38.950 -2.187 -2.187 20 2HB ASP 3 2HB ASP 3 -38.312 -3.617 -3.617 21 H VAL 4 H VAL 4 -35.833 -4.933 -4.933 22 HA VAL 4 HA VAL 4 -33.880 -2.580 -2.580 23 HB VAL 4 HB VAL 4 -33.725 -4.910 -4.910 24 1HG1 VAL 4 1HG1 VAL 4 -31.429 -3.034 -3.034 25 2HG1 VAL 4 2HG1 VAL 4 -31.432 -4.108 -4.108 26 3HG1 VAL 4 3HG1 VAL 4 -31.470 -4.798 -4.798 27 1HG2 VAL 4 2HG2 VAL 4 -34.935 -2.879 -2.879 28 2HG2 VAL 4 3HG2 VAL 4 -33.401 -3.077 -3.077 29 3HG2 VAL 4 1HG2 VAL 4 -33.546 -1.855 -1.855 30 H SER 5 H SER 5 -33.448 -6.197 -6.197 31 HA SER 5 HA SER 5 -32.178 -7.354 -7.354 32 1HB SER 5 1HB SER 5 -34.404 -7.149 -7.149 33 2HB SER 5 2HB SER 5 -33.824 -5.757 -5.757 34 HG SER 5 HG SER 5 -33.623 -7.720 -7.720 35 H SER 6 H SER 6 -30.369 -6.023 -6.023 36 HA SER 6 HA SER 6 -28.339 -4.895 -4.895 37 1HB SER 6 1HB SER 6 -27.793 -6.636 -6.636 38 2HB SER 6 2HB SER 6 -28.331 -5.612 -5.612 39 HG SER 6 HG SER 6 -26.312 -5.000 -5.000 40 H ALA 7 H ALA 7 -29.943 -3.086 -3.086 41 HA ALA 7 HA ALA 7 -29.149 -0.696 -0.696 42 1HB ALA 7 2HB ALA 7 -31.491 -1.198 -1.198 43 2HB ALA 7 3HB ALA 7 -32.026 -1.134 -1.134 44 3HB ALA 7 1HB ALA 7 -31.406 0.332 0.332 45 H LEU 8 H LEU 8 -31.101 -1.017 -1.017 46 HA LEU 8 HA LEU 8 -28.918 0.466 0.466 47 1HB LEU 8 1HB LEU 8 -31.910 -0.102 -0.102 48 2HB LEU 8 2HB LEU 8 -30.858 0.358 0.358 49 HG LEU 8 HG LEU 8 -30.246 2.520 2.520 50 1HD1 LEU 8 2HD1 LEU 8 -32.564 1.797 1.797 51 2HD1 LEU 8 3HD1 LEU 8 -31.835 3.416 3.416 52 3HD1 LEU 8 1HD1 LEU 8 -30.861 2.072 2.072 53 1HD2 LEU 8 3HD2 LEU 8 -31.923 2.433 2.433 54 2HD2 LEU 8 1HD2 LEU 8 -32.359 3.678 3.678 55 3HD2 LEU 8 2HD2 LEU 8 -33.232 2.126 2.126 56 H ASP 9 H ASP 9 -28.455 -1.964 -1.964 57 HA ASP 9 HA ASP 9 -28.881 -4.054 -4.054 58 1HB ASP 9 1HB ASP 9 -29.001 -4.173 -4.173 59 2HB ASP 9 2HB ASP 9 -27.273 -4.418 -4.418 60 H LYS 10 H LYS 10 -27.479 -2.241 -2.241 61 HA LYS 10 HA LYS 10 -25.734 -1.603 -1.603 62 1HB LYS 10 1HB LYS 10 -24.919 -4.557 -4.557 63 2HB LYS 10 2HB LYS 10 -24.207 -3.315 -3.315 64 1HG LYS 10 1HG LYS 10 -26.426 -2.840 -2.840 65 2HG LYS 10 2HG LYS 10 -27.187 -4.098 -4.098 66 1HD LYS 10 1HD LYS 10 -24.883 -4.567 -4.567 67 2HD LYS 10 2HD LYS 10 -26.594 -4.745 -4.745 68 1HE LYS 10 1HE LYS 10 -26.808 -6.576 -6.576 69 2HE LYS 10 2HE LYS 10 -25.079 -6.437 -6.437 70 1HZ LYS 10 3HZ LYS 10 -26.229 -7.170 -7.170 71 2HZ LYS 10 1HZ LYS 10 -25.516 -8.207 -8.207 72 3HZ LYS 10 2HZ LYS 10 -24.615 -7.036 -7.036 73 H LEU 11 H LEU 11 -25.388 -0.760 -0.760 74 HA LEU 11 HA LEU 11 -24.182 -0.544 -0.544 75 1HB LEU 11 1HB LEU 11 -22.232 0.740 0.740 76 2HB LEU 11 2HB LEU 11 -23.423 1.322 1.322 77 HG LEU 11 HG LEU 11 -21.160 -0.478 -0.478 78 1HD1 LEU 11 3HD2 LEU 11 -20.022 1.255 1.255 79 2HD1 LEU 11 1HD2 LEU 11 -20.866 2.550 2.550 80 3HD1 LEU 11 2HD2 LEU 11 -19.692 1.505 1.505 81 1HD2 LEU 11 2HD1 LEU 11 -22.685 1.874 1.874 82 2HD2 LEU 11 3HD1 LEU 11 -22.958 0.152 0.152 83 3HD2 LEU 11 1HD1 LEU 11 -21.415 0.892 0.892 84 H LYS 12 H LYS 12 -24.354 -3.054 -3.054 85 HA LYS 12 HA LYS 12 -21.727 -4.358 -4.358 86 1HB LYS 12 1HB LYS 12 -22.757 -6.221 -6.221 87 2HB LYS 12 2HB LYS 12 -23.622 -5.719 -5.719 88 1HG LYS 12 1HG LYS 12 -25.361 -4.600 -4.600 89 2HG LYS 12 2HG LYS 12 -24.552 -5.349 -5.349 90 1HD LYS 12 1HD LYS 12 -25.653 -6.898 -6.898 91 2HD LYS 12 2HD LYS 12 -26.595 -6.576 -6.576 92 1HE LYS 12 1HE LYS 12 -23.986 -8.247 -8.247 93 2HE LYS 12 2HE LYS 12 -25.615 -8.912 -8.912 94 1HZ LYS 12 1HZ LYS 12 -26.054 -7.942 -7.942 95 2HZ LYS 12 2HZ LYS 12 -24.530 -7.309 -7.309 96 3HZ LYS 12 3HZ LYS 12 -24.744 -8.947 -8.947 97 H GLU 13 H GLU 13 -23.942 -2.660 -2.660 98 HA GLU 13 HA GLU 13 -22.268 -3.088 -3.088 99 1HB GLU 13 1HB GLU 13 -23.940 -1.975 -1.975 100 2HB GLU 13 2HB GLU 13 -24.694 -3.151 -3.151 101 1HG GLU 13 1HG GLU 13 -24.800 -0.088 -0.088 102 2HG GLU 13 2HG GLU 13 -26.096 -1.159 -1.159 103 H PHE 14 H PHE 14 -23.114 -0.204 -0.204 104 HA PHE 14 HA PHE 14 -21.168 1.563 1.563 105 1HB PHE 14 1HB PHE 14 -23.152 2.482 2.482 106 2HB PHE 14 2HB PHE 14 -22.571 1.916 1.916 107 HD1 PHE 14 HD1 PHE 14 -21.673 4.221 4.221 108 HD2 PHE 14 HD2 PHE 14 -21.050 3.314 3.314 109 HE1 PHE 14 HE1 PHE 14 -20.362 6.288 6.288 110 HE2 PHE 14 HE2 PHE 14 -19.744 5.383 5.383 111 HZ PHE 14 HZ PHE 14 -19.391 6.870 6.870 112 H GLY 15 H GLY 15 -20.915 -0.377 -0.377 113 1HA GLY 15 1HA GLY 15 -18.219 0.331 0.331 114 2HA GLY 15 2HA GLY 15 -18.912 -1.245 -1.245 115 H ASN 16 H ASN 16 -19.167 -2.246 -2.246 116 HA ASN 16 HA ASN 16 -16.450 -2.990 -2.990 117 1HB ASN 16 1HB ASN 16 -18.607 -4.362 -4.362 118 2HB ASN 16 2HB ASN 16 -19.063 -3.276 -3.276 119 1HD2 ASN 16 1HD2 ASN 16 -16.153 -6.126 -6.126 120 2HD2 ASN 16 2HD2 ASN 16 -16.698 -5.715 -5.715 121 H THR 17 H THR 17 -18.612 -0.361 -0.361 122 HA THR 17 HA THR 17 -17.126 0.226 0.226 123 HB THR 17 HB THR 17 -18.967 2.037 2.037 124 HG1 THR 17 HG1 THR 17 -19.860 0.090 0.090 125 1HG2 THR 17 3HG2 THR 17 -18.131 2.289 2.289 126 2HG2 THR 17 1HG2 THR 17 -19.396 3.247 3.247 127 3HG2 THR 17 2HG2 THR 17 -17.695 3.418 3.418 128 H LEU 18 H LEU 18 -16.953 2.083 2.083 129 HA LEU 18 HA LEU 18 -14.364 3.264 3.264 130 1HB LEU 18 1HB LEU 18 -14.362 4.729 4.729 131 2HB LEU 18 2HB LEU 18 -16.039 4.626 4.626 132 HG LEU 18 HG LEU 18 -14.739 3.268 3.268 133 1HD1 LEU 18 3HD2 LEU 18 -14.796 5.770 5.770 134 2HD1 LEU 18 1HD2 LEU 18 -16.549 5.774 5.774 135 3HD1 LEU 18 2HD2 LEU 18 -15.906 5.026 5.026 136 1HD2 LEU 18 1HD1 LEU 18 -17.739 3.441 3.441 137 2HD2 LEU 18 2HD1 LEU 18 -16.746 1.963 1.963 138 3HD2 LEU 18 3HD1 LEU 18 -17.086 2.859 2.859 139 H GLU 19 H GLU 19 -14.771 0.375 0.375 140 HA GLU 19 HA GLU 19 -12.165 -0.054 -0.054 141 1HB GLU 19 1HB GLU 19 -14.095 -1.521 -1.521 142 2HB GLU 19 2HB GLU 19 -14.139 -2.083 -2.083 143 1HG GLU 19 1HG GLU 19 -11.792 -3.075 -3.075 144 2HG GLU 19 2HG GLU 19 -11.859 -2.545 -2.545 145 H ASP 20 H ASP 20 -13.585 -1.023 -1.023 146 HA ASP 20 HA ASP 20 -11.031 -1.607 -1.607 147 1HB ASP 20 1HB ASP 20 -13.278 -2.507 -2.507 148 2HB ASP 20 2HB ASP 20 -13.746 -0.913 -0.913 149 H LYS 21 H LYS 21 -13.075 1.415 1.415 150 HA LYS 21 HA LYS 21 -11.293 2.929 2.929 151 1HB LYS 21 1HB LYS 21 -13.733 3.480 3.480 152 2HB LYS 21 2HB LYS 21 -12.945 4.149 4.149 153 1HG LYS 21 1HG LYS 21 -13.425 5.972 5.972 154 2HG LYS 21 2HG LYS 21 -11.689 5.766 5.766 155 1HD LYS 21 1HD LYS 21 -12.239 6.191 6.191 156 2HD LYS 21 2HD LYS 21 -11.870 4.487 4.487 157 1HE LYS 21 1HE LYS 21 -14.761 5.614 5.614 158 2HE LYS 21 2HE LYS 21 -13.902 5.308 5.308 159 1HZ LYS 21 1HZ LYS 21 -13.726 2.961 2.961 160 2HZ LYS 21 2HZ LYS 21 -14.532 3.217 3.217 161 3HZ LYS 21 3HZ LYS 21 -15.305 3.446 3.446 162 H ALA 22 H ALA 22 -11.159 2.732 2.732 163 HA ALA 22 HA ALA 22 -8.744 4.401 4.401 164 1HB ALA 22 2HB ALA 22 -10.270 3.969 3.969 165 2HB ALA 22 3HB ALA 22 -9.842 2.236 2.236 166 3HB ALA 22 1HB ALA 22 -8.614 3.464 3.464 167 H ARG 23 H ARG 23 -9.091 0.924 0.924 168 HA ARG 23 HA ARG 23 -6.265 0.181 0.181 169 1HB ARG 23 1HB ARG 23 -8.231 -1.422 -1.422 170 2HB ARG 23 2HB ARG 23 -8.339 -1.117 -1.117 171 1HG ARG 23 1HG ARG 23 -5.961 -1.985 -1.985 172 2HG ARG 23 2HG ARG 23 -5.892 -2.275 -2.275 173 1HD ARG 23 1HD ARG 23 -7.876 -3.879 -3.879 174 2HD ARG 23 2HD ARG 23 -7.896 -3.588 -3.588 175 HE ARG 23 HE ARG 23 -5.207 -4.485 -4.485 176 1HH1 ARG 23 1HH1 ARG 23 -8.480 -5.765 -5.765 177 2HH1 ARG 23 2HH1 ARG 23 -7.786 -7.432 -7.432 178 1HH2 ARG 23 1HH2 ARG 23 -4.529 -6.415 -6.415 179 2HH2 ARG 23 2HH2 ARG 23 -5.700 -7.773 -7.773 180 H GLU 24 H GLU 24 -8.044 1.195 1.195 181 HA GLU 24 HA GLU 24 -5.627 1.365 1.365 182 1HB GLU 24 1HB GLU 24 -8.415 2.630 2.630 183 2HB GLU 24 2HB GLU 24 -7.093 2.848 2.848 184 1HG GLU 24 1HG GLU 24 -8.239 1.150 1.150 185 2HG GLU 24 2HG GLU 24 -6.922 0.284 0.284 186 H LEU 25 H LEU 25 -7.221 3.826 3.826 187 HA LEU 25 HA LEU 25 -5.540 6.071 6.071 188 1HB LEU 25 2HB LEU 25 -7.271 5.802 5.802 189 2HB LEU 25 1HB LEU 25 -6.400 7.266 7.266 190 HG LEU 25 HG LEU 25 -8.490 6.067 6.067 191 1HD1 LEU 25 3HD1 LEU 25 -9.585 6.607 6.607 192 2HD1 LEU 25 1HD1 LEU 25 -8.911 8.256 8.256 193 3HD1 LEU 25 2HD1 LEU 25 -10.100 7.741 7.741 194 1HD2 LEU 25 3HD2 LEU 25 -6.911 7.674 7.674 195 2HD2 LEU 25 1HD2 LEU 25 -8.540 8.356 8.356 196 3HD2 LEU 25 2HD2 LEU 25 -7.271 8.908 8.908 197 H ILE 26 H ILE 26 -5.323 4.024 4.024 198 HA ILE 26 HA ILE 26 -2.905 5.420 5.420 199 HB ILE 26 HB ILE 26 -4.206 2.829 2.829 200 1HG1 ILE 26 1HG1 ILE 26 -4.064 5.619 5.619 201 2HG1 ILE 26 2HG1 ILE 26 -5.404 5.132 5.132 202 1HG2 ILE 26 3HG2 ILE 26 -1.832 4.310 4.310 203 2HG2 ILE 26 1HG2 ILE 26 -2.736 2.965 2.965 204 3HG2 ILE 26 2HG2 ILE 26 -1.781 2.682 2.682 205 1HD1 ILE 26 1HD1 ILE 26 -5.929 3.202 3.202 206 2HD1 ILE 26 2HD1 ILE 26 -4.653 3.774 3.774 207 3HD1 ILE 26 3HD1 ILE 26 -6.062 4.807 4.807 208 H SER 27 H SER 27 -3.292 2.187 2.187 209 HA SER 27 HA SER 27 -0.310 1.956 1.956 210 1HB SER 27 1HB SER 27 -2.571 0.141 0.141 211 2HB SER 27 2HB SER 27 -0.844 -0.134 -0.134 212 HG SER 27 HG SER 27 -0.589 -0.107 -0.107 213 H ARG 28 H ARG 28 0.096 3.745 3.745 214 HA ARG 28 HA ARG 28 0.089 4.490 4.490 215 1HB ARG 28 1HB ARG 28 -2.357 4.223 4.223 216 2HB ARG 28 2HB ARG 28 -2.633 5.280 5.280 217 1HG ARG 28 1HG ARG 28 -1.629 7.195 7.195 218 2HG ARG 28 2HG ARG 28 -1.432 6.099 6.099 219 1HD ARG 28 1HD ARG 28 -4.114 6.801 6.801 220 2HD ARG 28 2HD ARG 28 -3.507 7.571 7.571 221 HE ARG 28 HE ARG 28 -3.518 4.947 4.947 222 1HH1 ARG 28 1HH1 ARG 28 -6.051 6.752 6.752 223 2HH1 ARG 28 2HH1 ARG 28 -7.341 5.718 5.718 224 1HH2 ARG 28 1HH2 ARG 28 -5.066 3.839 3.839 225 2HH2 ARG 28 2HH2 ARG 28 -6.819 4.181 4.181 226 H ILE 29 H ILE 29 -1.265 5.942 5.942 227 HA ILE 29 HA ILE 29 0.528 8.338 8.338 228 HB ILE 29 HB ILE 29 -1.531 7.246 7.246 229 1HG1 ILE 29 1HG1 ILE 29 -1.533 9.863 9.863 230 2HG1 ILE 29 2HG1 ILE 29 -2.267 8.383 8.383 231 1HG2 ILE 29 2HG2 ILE 29 0.155 8.395 8.395 232 2HG2 ILE 29 3HG2 ILE 29 0.059 9.847 9.847 233 3HG2 ILE 29 1HG2 ILE 29 -1.343 9.299 9.299 234 1HD1 ILE 29 3HD1 ILE 29 -3.848 8.384 8.384 235 2HD1 ILE 29 1HD1 ILE 29 -3.203 9.988 9.988 236 3HD1 ILE 29 2HD1 ILE 29 -4.041 9.761 9.761 237 H LYS 30 H LYS 30 0.338 6.089 6.089 238 HA LYS 30 HA LYS 30 1.981 5.344 5.344 239 1HB LYS 30 1HB LYS 30 3.647 4.763 4.763 240 2HB LYS 30 2HB LYS 30 3.940 4.091 4.091 241 1HG LYS 30 1HG LYS 30 1.506 3.534 3.534 242 2HG LYS 30 2HG LYS 30 2.839 2.454 2.454 243 1HD LYS 30 1HD LYS 30 0.775 3.342 3.342 244 2HD LYS 30 2HD LYS 30 0.771 1.821 1.821 245 1HE LYS 30 1HE LYS 30 2.993 1.179 1.179 246 2HE LYS 30 2HE LYS 30 2.997 2.699 2.699 247 1HZ LYS 30 1HZ LYS 30 0.913 2.010 2.010 248 2HZ LYS 30 2HZ LYS 30 0.907 0.588 0.588 249 3HZ LYS 30 3HZ LYS 30 2.100 0.891 0.891 250 H GLN 31 H GLN 31 2.289 8.228 8.228 251 HA GLN 31 HA GLN 31 4.998 8.844 8.844 252 1HB GLN 31 1HB GLN 31 4.223 9.583 9.583 253 2HB GLN 31 2HB GLN 31 5.557 10.347 10.347 254 1HG GLN 31 1HG GLN 31 6.724 8.136 8.136 255 2HG GLN 31 2HG GLN 31 5.419 7.334 7.334 256 1HE2 GLN 31 2HE2 GLN 31 8.245 9.228 9.228 257 2HE2 GLN 31 1HE2 GLN 31 8.275 9.229 9.229 258 H SER 32 H SER 32 2.107 10.146 10.146 259 HA SER 32 HA SER 32 2.508 12.779 12.779 260 1HB SER 32 1HB SER 32 2.444 13.095 13.095 261 2HB SER 32 2HB SER 32 0.819 12.400 12.400 262 HG SER 32 HG SER 32 0.160 14.056 14.056 263 H GLU 33 H GLU 33 1.566 12.395 12.395 264 HA GLU 33 HA GLU 33 -0.036 12.197 12.197 265 1HB GLU 33 1HB GLU 33 -1.471 13.577 13.577 266 2HB GLU 33 2HB GLU 33 -2.308 12.088 12.088 267 1HG GLU 33 1HG GLU 33 -3.039 11.833 11.833 268 2HG GLU 33 2HG GLU 33 -2.120 13.271 13.271 269 H LEU 34 H LEU 34 0.406 9.659 9.659 270 HA LEU 34 HA LEU 34 -0.702 7.614 7.614 271 1HB LEU 34 1HB LEU 34 -0.694 6.897 6.897 272 2HB LEU 34 2HB LEU 34 1.011 7.209 7.209 273 HG LEU 34 HG LEU 34 0.331 4.813 4.813 274 1HD1 LEU 34 2HD1 LEU 34 2.714 5.509 5.509 275 2HD1 LEU 34 3HD1 LEU 34 2.295 5.419 5.419 276 3HD1 LEU 34 1HD1 LEU 34 2.195 3.970 3.970 277 1HD2 LEU 34 3HD2 LEU 34 -1.464 4.963 4.963 278 2HD2 LEU 34 1HD2 LEU 34 -0.260 3.706 3.706 279 3HD2 LEU 34 2HD2 LEU 34 -0.223 5.253 5.253 280 H SER 35 H SER 35 2.298 9.145 9.145 281 HA SER 35 HA SER 35 3.837 8.171 8.171 282 1HB SER 35 1HB SER 35 4.955 7.790 7.790 283 2HB SER 35 2HB SER 35 4.807 9.510 9.510 284 HG SER 35 HG SER 35 6.045 9.987 9.987 285 H ALA 36 H ALA 36 4.845 11.167 11.167 286 HA ALA 36 HA ALA 36 5.260 13.154 13.154 287 1HB ALA 36 2HB ALA 36 2.888 13.680 13.680 288 2HB ALA 36 3HB ALA 36 2.440 12.876 12.876 289 3HB ALA 36 1HB ALA 36 3.496 14.310 14.310 290 H LYS 37 H LYS 37 3.887 10.617 10.617 291 HA LYS 37 HA LYS 37 5.716 11.348 11.348 292 1HB LYS 37 1HB LYS 37 3.539 9.184 9.184 293 2HB LYS 37 2HB LYS 37 4.597 9.464 9.464 294 1HG LYS 37 1HG LYS 37 2.481 11.404 11.404 295 2HG LYS 37 2HG LYS 37 2.388 10.458 10.458 296 1HD LYS 37 1HD LYS 37 4.303 12.817 12.817 297 2HD LYS 37 2HD LYS 37 2.840 12.848 12.848 298 1HE LYS 37 1HE LYS 37 3.875 11.192 11.192 299 2HE LYS 37 2HE LYS 37 5.364 11.189 11.189 300 1HZ LYS 37 3HZ LYS 37 5.573 13.582 13.582 301 2HZ LYS 37 1HZ LYS 37 4.185 13.590 13.590 302 3HZ LYS 37 2HZ LYS 37 5.504 12.745 12.745 303 H MET 38 H MET 38 5.230 8.557 8.557 304 HA MET 38 HA MET 38 7.708 7.209 7.209 305 1HB MET 38 1HB MET 38 6.366 7.148 7.148 306 2HB MET 38 2HB MET 38 7.703 6.149 6.149 307 1HG MET 38 1HG MET 38 4.869 6.101 6.101 308 2HG MET 38 2HG MET 38 5.563 4.906 4.906 309 1HE MET 38 1HE MET 38 8.372 4.052 4.052 310 2HE MET 38 3HE MET 38 8.131 2.942 2.942 311 3HE MET 38 2HE MET 38 7.040 2.855 2.855 312 H ARG 39 H ARG 39 7.305 10.178 10.178 313 HA ARG 39 HA ARG 39 10.333 10.256 10.256 314 1HB ARG 39 1HB ARG 39 8.085 12.131 12.131 315 2HB ARG 39 2HB ARG 39 9.710 12.736 12.736 316 1HG ARG 39 1HG ARG 39 9.605 12.199 12.199 317 2HG ARG 39 2HG ARG 39 10.642 10.984 10.984 318 1HD ARG 39 1HD ARG 39 8.626 9.373 9.373 319 2HD ARG 39 2HD ARG 39 7.684 10.619 10.619 320 HE ARG 39 HE ARG 39 10.102 10.180 10.180 321 1HH1 ARG 39 1HH1 ARG 39 7.210 8.331 8.331 322 2HH1 ARG 39 2HH1 ARG 39 7.373 7.297 7.297 323 1HH2 ARG 39 1HH2 ARG 39 10.187 8.951 8.951 324 2HH2 ARG 39 2HH2 ARG 39 8.948 7.627 7.627 325 H GLU 40 H GLU 40 11.410 10.746 10.746 326 HA GLU 40 HA GLU 40 11.815 12.169 12.169 327 1HB GLU 40 1HB GLU 40 8.986 11.239 11.239 328 2HB GLU 40 2HB GLU 40 10.138 11.434 11.434 329 1HG GLU 40 1HG GLU 40 10.429 13.808 13.808 330 2HG GLU 40 2HG GLU 40 9.573 13.785 13.785 331 H TRP 41 H TRP 41 10.011 9.056 9.056 332 HA TRP 41 HA TRP 41 12.060 7.454 7.454 333 1HB TRP 41 1HB TRP 41 9.695 6.748 6.748 334 2HB TRP 41 2HB TRP 41 9.779 6.631 6.631 335 HD1 TRP 41 HD1 TRP 41 10.661 4.651 4.651 336 HE1 TRP 41 HE1 TRP 41 11.410 2.183 2.183 337 HE3 TRP 41 HE3 TRP 41 11.108 5.384 5.384 338 HZ2 TRP 41 HZ2 TRP 41 12.061 0.872 0.872 339 HZ3 TRP 41 HZ3 TRP 41 11.798 3.466 3.466 340 HH2 TRP 41 HH2 TRP 41 12.275 1.264 1.264 341 H PHE 42 H PHE 42 11.635 8.219 8.219 342 HA PHE 42 HA PHE 42 13.840 6.413 6.413 343 1HB PHE 42 1HB PHE 42 12.532 8.818 8.818 344 2HB PHE 42 2HB PHE 42 13.853 7.949 7.949 345 HD1 PHE 42 HD2 PHE 42 13.616 5.377 5.377 346 HD2 PHE 42 HD1 PHE 42 10.292 8.019 8.019 347 HE1 PHE 42 HE2 PHE 42 12.101 3.765 3.765 348 HE2 PHE 42 HE1 PHE 42 8.788 6.382 6.382 349 HZ PHE 42 HZ PHE 42 9.690 4.252 4.252 350 H SER 43 H SER 43 13.767 9.696 9.696 351 HA SER 43 HA SER 43 16.627 10.327 10.327 352 1HB SER 43 1HB SER 43 16.400 12.391 12.391 353 2HB SER 43 2HB SER 43 15.074 12.208 12.208 354 HG SER 43 HG SER 43 15.005 11.590 11.590 355 H GLU 44 H GLU 44 14.979 9.140 9.140 356 HA GLU 44 HA GLU 44 17.492 8.905 8.905 357 1HB GLU 44 1HB GLU 44 15.258 9.228 9.228 358 2HB GLU 44 2HB GLU 44 14.689 7.705 7.705 359 1HG GLU 44 1HG GLU 44 15.202 7.414 7.414 360 2HG GLU 44 2HG GLU 44 16.321 6.439 6.439 361 H THR 45 H THR 45 15.384 6.503 6.503 362 HA THR 45 HA THR 45 17.533 4.332 4.332 363 HB THR 45 HB THR 45 14.724 4.351 4.351 364 HG1 THR 45 HG1 THR 45 14.130 3.341 3.341 365 1HG2 THR 45 2HG2 THR 45 15.988 2.346 2.346 366 2HG2 THR 45 3HG2 THR 45 16.428 1.940 1.940 367 3HG2 THR 45 1HG2 THR 45 14.730 1.857 1.857 368 H PHE 46 H PHE 46 18.397 6.249 6.249 369 HA PHE 46 HA PHE 46 17.898 6.348 6.348 370 1HB PHE 46 1HB PHE 46 18.638 8.288 8.288 371 2HB PHE 46 2HB PHE 46 20.232 7.616 7.616 372 HD1 PHE 46 HD1 PHE 46 17.749 8.990 8.990 373 HD2 PHE 46 HD2 PHE 46 21.863 7.892 7.892 374 HE1 PHE 46 HE1 PHE 46 18.386 10.125 10.125 375 HE2 PHE 46 HE2 PHE 46 22.481 9.044 9.044 376 HZ PHE 46 HZ PHE 46 20.748 10.156 10.156 377 H GLN 47 H GLN 47 21.002 5.253 5.253 378 HA GLN 47 HA GLN 47 22.015 4.041 4.041 379 1HB GLN 47 1HB GLN 47 22.884 3.558 3.558 380 2HB GLN 47 2HB GLN 47 23.711 2.900 2.900 381 1HG GLN 47 1HG GLN 47 24.197 5.210 5.210 382 2HG GLN 47 2HG GLN 47 23.382 5.925 5.925 383 1HE2 GLN 47 2HE2 GLN 47 26.214 5.398 5.398 384 2HE2 GLN 47 1HE2 GLN 47 24.455 5.897 5.897 385 H LYS 48 H LYS 48 20.095 2.636 2.636 386 HA LYS 48 HA LYS 48 20.320 -0.172 -0.172 387 1HB LYS 48 1HB LYS 48 17.830 1.057 1.057 388 2HB LYS 48 2HB LYS 48 18.318 -0.617 -0.617 389 1HG LYS 48 1HG LYS 48 19.654 1.736 1.736 390 2HG LYS 48 2HG LYS 48 18.621 0.500 0.500 391 1HD LYS 48 1HD LYS 48 20.337 -1.270 -1.270 392 2HD LYS 48 2HD LYS 48 21.390 -0.010 -0.010 393 1HE LYS 48 1HE LYS 48 21.487 1.120 1.120 394 2HE LYS 48 2HE LYS 48 20.442 -0.139 -0.139 395 1HZ LYS 48 2HZ LYS 48 23.128 -0.608 -0.608 396 2HZ LYS 48 3HZ LYS 48 22.775 -0.612 -0.612 397 3HZ LYS 48 1HZ LYS 48 22.153 -1.784 -1.784 398 H VAL 49 H VAL 49 17.807 2.226 2.226 399 HA VAL 49 HA VAL 49 16.511 0.501 0.501 400 HB VAL 49 HB VAL 49 16.465 3.539 3.539 401 1HG1 VAL 49 1HG1 VAL 49 14.628 1.653 1.653 402 2HG1 VAL 49 2HG1 VAL 49 14.365 3.404 3.404 403 3HG1 VAL 49 3HG1 VAL 49 15.780 2.824 2.824 404 1HG2 VAL 49 3HG2 VAL 49 15.401 2.490 2.490 405 2HG2 VAL 49 1HG2 VAL 49 14.189 3.293 3.293 406 3HG2 VAL 49 2HG2 VAL 49 14.337 1.520 1.520 407 H LYS 50 H LYS 50 18.947 3.184 3.184 408 HA LYS 50 HA LYS 50 18.857 3.169 3.169 409 1HB LYS 50 1HB LYS 50 19.735 4.899 4.899 410 2HB LYS 50 2HB LYS 50 21.227 3.977 3.977 411 1HG LYS 50 1HG LYS 50 21.728 4.421 4.421 412 2HG LYS 50 2HG LYS 50 20.160 5.197 5.197 413 1HD LYS 50 1HD LYS 50 21.514 7.038 7.038 414 2HD LYS 50 2HD LYS 50 20.899 6.866 6.866 415 1HE LYS 50 1HE LYS 50 23.676 5.834 5.834 416 2HE LYS 50 2HE LYS 50 23.400 7.426 7.426 417 1HZ LYS 50 1HZ LYS 50 22.650 6.371 6.371 418 2HZ LYS 50 2HZ LYS 50 22.900 4.865 4.865 419 3HZ LYS 50 3HZ LYS 50 24.179 5.881 5.881 420 H GLU 51 H GLU 51 21.035 1.018 1.018 421 HA GLU 51 HA GLU 51 22.596 0.028 0.028 422 1HB GLU 51 1HB GLU 51 21.828 -1.449 -1.449 423 2HB GLU 51 2HB GLU 51 22.966 -2.050 -2.050 424 1HG GLU 51 1HG GLU 51 23.350 0.502 0.502 425 2HG GLU 51 2HG GLU 51 24.081 -1.060 -1.060 426 H LYS 52 H LYS 52 19.350 -0.781 -0.781 427 HA LYS 52 HA LYS 52 18.928 -2.990 -2.990 428 1HB LYS 52 1HB LYS 52 16.900 -1.630 -1.630 429 2HB LYS 52 2HB LYS 52 16.571 -3.000 -3.000 430 1HG LYS 52 1HG LYS 52 18.251 -4.389 -4.389 431 2HG LYS 52 2HG LYS 52 18.572 -3.054 -3.054 432 1HD LYS 52 1HD LYS 52 15.816 -4.406 -4.406 433 2HD LYS 52 2HD LYS 52 17.030 -4.841 -4.841 434 1HE LYS 52 1HE LYS 52 15.555 -3.527 -3.527 435 2HE LYS 52 2HE LYS 52 16.903 -2.437 -2.437 436 1HZ LYS 52 2HZ LYS 52 14.323 -2.466 -2.466 437 2HZ LYS 52 3HZ LYS 52 14.771 -1.358 -1.358 438 3HZ LYS 52 1HZ LYS 52 15.573 -1.428 -1.428 439 H LEU 53 H LEU 53 17.853 0.346 0.346 440 HA LEU 53 HA LEU 53 17.601 2.101 2.101 441 1HB LEU 53 1HB LEU 53 17.183 0.117 0.117 442 2HB LEU 53 2HB LEU 53 17.138 1.849 1.849 443 HG LEU 53 HG LEU 53 19.649 0.400 0.400 444 1HD1 LEU 53 2HD1 LEU 53 19.129 -0.496 -0.496 445 2HD1 LEU 53 3HD1 LEU 53 19.034 1.154 1.154 446 3HD1 LEU 53 1HD1 LEU 53 20.581 0.521 0.521 447 1HD2 LEU 53 3HD2 LEU 53 19.564 2.878 2.878 448 2HD2 LEU 53 1HD2 LEU 53 20.849 2.479 2.479 449 3HD2 LEU 53 2HD2 LEU 53 19.332 3.217 3.217 450 H LYS 54 H LYS 54 15.268 -0.534 -0.534 451 HA LYS 54 HA LYS 54 12.955 -0.610 -0.610 452 1HB LYS 54 1HB LYS 54 12.899 2.042 2.042 453 2HB LYS 54 2HB LYS 54 11.497 1.078 1.078 454 1HG LYS 54 1HG LYS 54 12.399 -0.849 -0.849 455 2HG LYS 54 2HG LYS 54 13.790 0.141 0.141 456 1HD LYS 54 1HD LYS 54 12.208 1.879 1.879 457 2HD LYS 54 2HD LYS 54 10.830 0.866 0.866 458 1HE LYS 54 1HE LYS 54 11.684 -0.967 -0.967 459 2HE LYS 54 2HE LYS 54 13.082 0.033 0.033 460 1HZ LYS 54 3HZ LYS 54 11.553 1.705 1.705 461 2HZ LYS 54 1HZ LYS 54 10.243 0.775 0.775 462 3HZ LYS 54 2HZ LYS 54 11.326 0.246 0.246 463 H ILE 55 H ILE 55 12.077 -0.502 -0.502 464 HA ILE 55 HA ILE 55 12.186 1.805 1.805 465 HB ILE 55 HB ILE 55 12.124 -0.529 -0.529 466 1HG1 ILE 55 1HG1 ILE 55 10.481 -0.402 -0.402 467 2HG1 ILE 55 2HG1 ILE 55 9.713 1.007 1.007 468 1HG2 ILE 55 2HG2 ILE 55 10.510 -1.568 -1.568 469 2HG2 ILE 55 3HG2 ILE 55 9.160 -0.742 -0.742 470 3HG2 ILE 55 1HG2 ILE 55 10.122 -1.958 -1.958 471 1HD1 ILE 55 3HD1 ILE 55 12.640 0.895 0.895 472 2HD1 ILE 55 1HD1 ILE 55 11.262 1.611 1.611 473 3HD1 ILE 55 2HD1 ILE 55 11.829 2.351 2.351 474 H ASP 56 H ASP 56 9.481 0.574 0.574 475 HA ASP 56 HA ASP 56 7.724 2.861 2.861 476 1HB ASP 56 1HB ASP 56 6.875 0.585 0.585 477 2HB ASP 56 2HB ASP 56 7.457 0.701 0.701 478 H SER 57 H SER 57 8.751 2.040 2.040 479 HA SER 57 HA SER 57 9.477 3.332 3.332 480 1HB SER 57 1HB SER 57 10.121 5.692 5.692 481 2HB SER 57 2HB SER 57 10.521 5.553 5.553 482 HG SER 57 HG SER 57 12.213 4.924 4.924 Start of MODEL 15 1 1H THR 1 2H THR 1 -34.797 -15.122 -15.122 2 2H THR 1 3H THR 1 -36.018 -14.020 -14.020 3 3H THR 1 1H THR 1 -36.371 -15.609 -15.609 4 HA THR 1 HA THR 1 -35.372 -15.569 -15.569 5 HB THR 1 HB THR 1 -37.814 -15.049 -15.049 6 HG1 THR 1 HG1 THR 1 -36.851 -15.420 -15.420 7 1HG2 THR 1 2HG2 THR 1 -37.657 -12.679 -12.679 8 2HG2 THR 1 3HG2 THR 1 -37.065 -12.135 -12.135 9 3HG2 THR 1 1HG2 THR 1 -38.704 -12.816 -12.816 10 HA PRO 2 HA PRO 2 -32.297 -12.167 -12.167 11 1HB PRO 2 1HB PRO 2 -31.559 -12.454 -12.454 12 2HB PRO 2 2HB PRO 2 -31.154 -13.703 -13.703 13 1HG PRO 2 1HG PRO 2 -33.502 -13.698 -13.698 14 2HG PRO 2 2HG PRO 2 -32.366 -15.017 -15.017 15 1HD PRO 2 1HD PRO 2 -34.865 -14.867 -14.867 16 2HD PRO 2 2HD PRO 2 -33.472 -15.540 -15.540 17 H ASP 3 H ASP 3 -33.206 -10.255 -10.255 18 HA ASP 3 HA ASP 3 -35.224 -9.090 -9.090 19 1HB ASP 3 1HB ASP 3 -34.357 -8.112 -8.112 20 2HB ASP 3 2HB ASP 3 -35.521 -7.293 -7.293 21 H VAL 4 H VAL 4 -34.598 -7.900 -7.900 22 HA VAL 4 HA VAL 4 -31.900 -6.434 -6.434 23 HB VAL 4 HB VAL 4 -33.167 -7.959 -7.959 24 1HG1 VAL 4 1HG1 VAL 4 -30.576 -6.299 -6.299 25 2HG1 VAL 4 2HG1 VAL 4 -31.136 -7.356 -7.356 26 3HG1 VAL 4 3HG1 VAL 4 -32.060 -5.903 -5.903 27 1HG2 VAL 4 2HG2 VAL 4 -32.019 -9.456 -9.456 28 2HG2 VAL 4 3HG2 VAL 4 -31.121 -9.370 -9.370 29 3HG2 VAL 4 1HG2 VAL 4 -30.546 -8.464 -8.464 30 H SER 5 H SER 5 -35.053 -6.158 -6.158 31 HA SER 5 HA SER 5 -35.995 -4.297 -4.297 32 1HB SER 5 1HB SER 5 -36.774 -4.196 -4.196 33 2HB SER 5 2HB SER 5 -35.503 -3.024 -3.024 34 HG SER 5 HG SER 5 -37.536 -2.760 -2.760 35 H SER 6 H SER 6 -33.866 -4.361 -4.361 36 HA SER 6 HA SER 6 -32.136 -3.357 -3.357 37 1HB SER 6 1HB SER 6 -33.642 -0.726 -0.726 38 2HB SER 6 2HB SER 6 -32.292 -0.988 -0.988 39 HG SER 6 HG SER 6 -33.502 -2.646 -2.646 40 H ALA 7 H ALA 7 -31.079 -4.106 -4.106 41 HA ALA 7 HA ALA 7 -29.308 -1.845 -1.845 42 1HB ALA 7 3HB ALA 7 -30.505 -3.014 -3.014 43 2HB ALA 7 1HB ALA 7 -29.861 -4.587 -4.587 44 3HB ALA 7 2HB ALA 7 -28.762 -3.331 -3.331 45 H LEU 8 H LEU 8 -29.000 -5.399 -5.399 46 HA LEU 8 HA LEU 8 -26.222 -5.183 -5.183 47 1HB LEU 8 1HB LEU 8 -28.513 -7.204 -7.204 48 2HB LEU 8 2HB LEU 8 -26.917 -7.457 -7.457 49 HG LEU 8 HG LEU 8 -27.531 -7.146 -7.146 50 1HD1 LEU 8 2HD1 LEU 8 -28.613 -9.191 -9.191 51 2HD1 LEU 8 3HD1 LEU 8 -27.058 -9.733 -9.733 52 3HD1 LEU 8 1HD1 LEU 8 -27.278 -9.620 -9.620 53 1HD2 LEU 8 2HD2 LEU 8 -24.932 -8.092 -8.092 54 2HD2 LEU 8 3HD2 LEU 8 -25.142 -6.573 -6.573 55 3HD2 LEU 8 1HD2 LEU 8 -25.237 -8.120 -8.120 56 H ASP 9 H ASP 9 -29.268 -4.638 -4.638 57 HA ASP 9 HA ASP 9 -28.239 -4.720 -4.720 58 1HB ASP 9 1HB ASP 9 -30.715 -4.794 -4.794 59 2HB ASP 9 2HB ASP 9 -30.629 -3.073 -3.073 60 H LYS 10 H LYS 10 -28.630 -1.919 -1.919 61 HA LYS 10 HA LYS 10 -27.196 -0.048 -0.048 62 1HB LYS 10 2HB LYS 10 -27.273 1.609 1.609 63 2HB LYS 10 1HB LYS 10 -28.843 0.898 0.898 64 1HG LYS 10 1HG LYS 10 -28.574 -0.521 -0.521 65 2HG LYS 10 2HG LYS 10 -27.039 0.260 0.260 66 1HD LYS 10 1HD LYS 10 -29.755 1.716 1.716 67 2HD LYS 10 2HD LYS 10 -29.024 1.144 1.144 68 1HE LYS 10 1HE LYS 10 -27.020 2.669 2.669 69 2HE LYS 10 2HE LYS 10 -27.767 3.283 3.283 70 1HZ LYS 10 1HZ LYS 10 -28.951 3.500 3.500 71 2HZ LYS 10 2HZ LYS 10 -28.230 4.722 4.722 72 3HZ LYS 10 3HZ LYS 10 -29.648 4.070 4.070 73 H LEU 11 H LEU 11 -26.155 -1.875 -1.875 74 HA LEU 11 HA LEU 11 -23.518 -0.680 -0.680 75 1HB LEU 11 1HB LEU 11 -24.830 -1.889 -1.889 76 2HB LEU 11 2HB LEU 11 -24.415 -3.408 -3.408 77 HG LEU 11 HG LEU 11 -21.922 -2.810 -2.810 78 1HD1 LEU 11 2HD2 LEU 11 -22.163 -0.311 -0.311 79 2HD1 LEU 11 3HD2 LEU 11 -23.110 -0.578 -0.578 80 3HD1 LEU 11 1HD2 LEU 11 -21.398 -1.066 -1.066 81 1HD2 LEU 11 2HD1 LEU 11 -23.159 -4.413 -4.413 82 2HD2 LEU 11 3HD1 LEU 11 -21.996 -3.469 -3.469 83 3HD2 LEU 11 1HD1 LEU 11 -23.735 -3.081 -3.081 84 H LYS 12 H LYS 12 -24.498 -3.512 -3.512 85 HA LYS 12 HA LYS 12 -21.889 -4.649 -4.649 86 1HB LYS 12 1HB LYS 12 -22.767 -5.891 -5.891 87 2HB LYS 12 2HB LYS 12 -23.828 -5.920 -5.920 88 1HG LYS 12 1HG LYS 12 -25.238 -4.077 -4.077 89 2HG LYS 12 2HG LYS 12 -24.277 -4.345 -4.345 90 1HD LYS 12 1HD LYS 12 -25.867 -6.532 -6.532 91 2HD LYS 12 2HD LYS 12 -26.518 -5.561 -5.561 92 1HE LYS 12 1HE LYS 12 -24.734 -6.466 -6.466 93 2HE LYS 12 2HE LYS 12 -24.087 -7.464 -7.464 94 1HZ LYS 12 3HZ LYS 12 -26.851 -7.665 -7.665 95 2HZ LYS 12 1HZ LYS 12 -25.612 -8.716 -8.716 96 3HZ LYS 12 2HZ LYS 12 -26.246 -8.594 -8.594 97 H GLU 13 H GLU 13 -23.401 -1.981 -1.981 98 HA GLU 13 HA GLU 13 -20.841 -1.676 -1.676 99 1HB GLU 13 1HB GLU 13 -21.879 -0.534 -0.534 100 2HB GLU 13 2HB GLU 13 -22.742 -2.021 -2.021 101 1HG GLU 13 1HG GLU 13 -23.713 0.804 0.804 102 2HG GLU 13 2HG GLU 13 -24.193 -0.090 -0.090 103 H PHE 14 H PHE 14 -23.156 0.338 0.338 104 HA PHE 14 HA PHE 14 -21.425 2.723 2.723 105 1HB PHE 14 1HB PHE 14 -23.898 2.863 2.863 106 2HB PHE 14 2HB PHE 14 -23.746 2.134 2.134 107 HD1 PHE 14 HD2 PHE 14 -22.601 5.132 5.132 108 HD2 PHE 14 HD1 PHE 14 -23.367 3.551 3.551 109 HE1 PHE 14 HE2 PHE 14 -22.276 7.368 7.368 110 HE2 PHE 14 HE1 PHE 14 -23.048 5.796 5.796 111 HZ PHE 14 HZ PHE 14 -22.498 7.705 7.705 112 H GLY 15 H GLY 15 -21.773 0.204 0.204 113 1HA GLY 15 1HA GLY 15 -19.800 1.304 1.304 114 2HA GLY 15 2HA GLY 15 -20.288 -0.368 -0.368 115 H ASN 16 H ASN 16 -19.458 -1.137 -1.137 116 HA ASN 16 HA ASN 16 -16.579 -1.564 -1.564 117 1HB ASN 16 1HB ASN 16 -18.264 -3.098 -3.098 118 2HB ASN 16 2HB ASN 16 -18.278 -1.977 -1.977 119 1HD2 ASN 16 1HD2 ASN 16 -15.041 -4.503 -4.503 120 2HD2 ASN 16 2HD2 ASN 16 -16.259 -4.246 -4.246 121 H THR 17 H THR 17 -18.321 0.887 0.887 122 HA THR 17 HA THR 17 -15.950 1.954 1.954 123 HB THR 17 HB THR 17 -18.673 3.251 3.251 124 HG1 THR 17 HG1 THR 17 -18.988 2.744 2.744 125 1HG2 THR 17 2HG2 THR 17 -16.490 4.195 4.195 126 2HG2 THR 17 3HG2 THR 17 -18.155 4.832 4.832 127 3HG2 THR 17 1HG2 THR 17 -17.028 5.067 5.067 128 H LEU 18 H LEU 18 -17.685 3.253 3.253 129 HA LEU 18 HA LEU 18 -15.385 4.906 4.906 130 1HB LEU 18 1HB LEU 18 -16.585 5.678 5.678 131 2HB LEU 18 2HB LEU 18 -17.639 5.587 5.587 132 HG LEU 18 HG LEU 18 -18.391 3.205 3.205 133 1HD1 LEU 18 1HD2 LEU 18 -17.312 4.680 4.680 134 2HD1 LEU 18 2HD2 LEU 18 -18.385 3.258 3.258 135 3HD1 LEU 18 3HD2 LEU 18 -16.745 3.112 3.112 136 1HD2 LEU 18 2HD1 LEU 18 -19.895 5.169 5.169 137 2HD2 LEU 18 3HD1 LEU 18 -20.221 4.386 4.386 138 3HD2 LEU 18 1HD1 LEU 18 -19.306 5.917 5.917 139 H GLU 19 H GLU 19 -15.299 1.826 1.826 140 HA GLU 19 HA GLU 19 -13.643 1.474 1.474 141 1HB GLU 19 1HB GLU 19 -15.220 -0.360 -0.360 142 2HB GLU 19 2HB GLU 19 -14.292 -0.590 -0.590 143 1HG GLU 19 1HG GLU 19 -12.240 -1.142 -1.142 144 2HG GLU 19 2HG GLU 19 -13.291 -1.003 -1.003 145 H ASP 20 H ASP 20 -13.166 0.900 0.900 146 HA ASP 20 HA ASP 20 -10.244 1.166 1.166 147 1HB ASP 20 1HB ASP 20 -11.609 -0.062 -0.062 148 2HB ASP 20 2HB ASP 20 -12.096 1.486 1.486 149 H LYS 21 H LYS 21 -12.775 3.602 3.602 150 HA LYS 21 HA LYS 21 -11.050 5.821 5.821 151 1HB LYS 21 1HB LYS 21 -13.676 5.591 5.591 152 2HB LYS 21 2HB LYS 21 -13.679 6.108 6.108 153 1HG LYS 21 1HG LYS 21 -12.511 8.266 8.266 154 2HG LYS 21 2HG LYS 21 -12.537 7.691 7.691 155 1HD LYS 21 1HD LYS 21 -15.107 7.502 7.502 156 2HD LYS 21 2HD LYS 21 -15.004 8.218 8.218 157 1HE LYS 21 1HE LYS 21 -13.905 10.295 10.295 158 2HE LYS 21 2HE LYS 21 -14.085 9.552 9.552 159 1HZ LYS 21 1HZ LYS 21 -16.498 9.519 9.519 160 2HZ LYS 21 2HZ LYS 21 -16.334 10.208 10.208 161 3HZ LYS 21 3HZ LYS 21 -15.911 11.057 11.057 162 H ALA 22 H ALA 22 -12.185 4.857 4.857 163 HA ALA 22 HA ALA 22 -10.671 6.950 6.950 164 1HB ALA 22 2HB ALA 22 -12.662 5.872 5.872 165 2HB ALA 22 3HB ALA 22 -11.825 4.298 4.298 166 3HB ALA 22 1HB ALA 22 -11.238 5.663 5.663 167 H ARG 23 H ARG 23 -9.832 3.553 3.553 168 HA ARG 23 HA ARG 23 -7.240 3.495 3.495 169 1HB ARG 23 1HB ARG 23 -8.223 1.876 1.876 170 2HB ARG 23 2HB ARG 23 -6.671 1.612 1.612 171 1HG ARG 23 1HG ARG 23 -7.744 1.060 1.060 172 2HG ARG 23 2HG ARG 23 -9.345 1.341 1.341 173 1HD ARG 23 1HD ARG 23 -7.380 -0.818 -0.818 174 2HD ARG 23 2HD ARG 23 -8.663 -1.096 -1.096 175 HE ARG 23 HE ARG 23 -9.923 0.048 0.048 176 1HH1 ARG 23 1HH1 ARG 23 -8.312 -2.971 -2.971 177 2HH1 ARG 23 2HH1 ARG 23 -9.263 -3.897 -3.897 178 1HH2 ARG 23 1HH2 ARG 23 -10.943 -1.103 -1.103 179 2HH2 ARG 23 2HH2 ARG 23 -10.652 -2.909 -2.909 180 H GLU 24 H GLU 24 -8.036 4.354 4.354 181 HA GLU 24 HA GLU 24 -5.336 5.184 5.184 182 1HB GLU 24 1HB GLU 24 -8.110 6.042 6.042 183 2HB GLU 24 2HB GLU 24 -6.605 6.543 6.543 184 1HG GLU 24 1HG GLU 24 -5.988 4.224 4.224 185 2HG GLU 24 2HG GLU 24 -7.370 3.570 3.570 186 H LEU 25 H LEU 25 -7.991 7.060 7.060 187 HA LEU 25 HA LEU 25 -6.591 9.651 9.651 188 1HB LEU 25 1HB LEU 25 -9.085 9.399 9.399 189 2HB LEU 25 2HB LEU 25 -8.900 8.757 8.757 190 HG LEU 25 HG LEU 25 -7.920 10.981 10.981 191 1HD1 LEU 25 3HD1 LEU 25 -8.675 11.974 11.974 192 2HD1 LEU 25 1HD1 LEU 25 -8.202 13.011 13.011 193 3HD1 LEU 25 2HD1 LEU 25 -7.029 11.882 11.882 194 1HD2 LEU 25 1HD2 LEU 25 -10.340 10.461 10.461 195 2HD2 LEU 25 2HD2 LEU 25 -10.098 12.192 12.192 196 3HD2 LEU 25 3HD2 LEU 25 -10.723 11.144 11.144 197 H ILE 26 H ILE 26 -6.826 7.216 7.216 198 HA ILE 26 HA ILE 26 -5.142 8.715 8.715 199 HB ILE 26 HB ILE 26 -5.950 5.782 5.782 200 1HG1 ILE 26 1HG1 ILE 26 -6.795 8.033 8.033 201 2HG1 ILE 26 2HG1 ILE 26 -7.682 7.709 7.709 202 1HG2 ILE 26 1HG2 ILE 26 -4.374 7.192 7.192 203 2HG2 ILE 26 2HG2 ILE 26 -5.107 5.572 5.572 204 3HG2 ILE 26 3HG2 ILE 26 -3.787 5.856 5.856 205 1HD1 ILE 26 1HD1 ILE 26 -8.142 5.351 5.351 206 2HD1 ILE 26 2HD1 ILE 26 -7.348 5.701 5.701 207 3HD1 ILE 26 3HD1 ILE 26 -8.815 6.594 6.594 208 H SER 27 H SER 27 -4.282 6.199 6.199 209 HA SER 27 HA SER 27 -1.400 6.132 6.132 210 1HB SER 27 1HB SER 27 -2.940 5.682 5.682 211 2HB SER 27 2HB SER 27 -1.224 5.335 5.335 212 HG SER 27 HG SER 27 -3.360 4.246 4.246 213 H ARG 28 H ARG 28 -3.284 8.410 8.410 214 HA ARG 28 HA ARG 28 -0.976 10.019 10.019 215 1HB ARG 28 1HB ARG 28 -3.172 9.914 9.914 216 2HB ARG 28 2HB ARG 28 -3.989 10.627 10.627 217 1HG ARG 28 1HG ARG 28 -2.647 12.753 12.753 218 2HG ARG 28 2HG ARG 28 -1.850 12.034 12.034 219 1HD ARG 28 1HD ARG 28 -4.041 11.823 11.823 220 2HD ARG 28 2HD ARG 28 -4.930 12.362 12.362 221 HE ARG 28 HE ARG 28 -3.323 14.084 14.084 222 1HH1 ARG 28 1HH1 ARG 28 -5.042 14.018 14.018 223 2HH1 ARG 28 2HH1 ARG 28 -5.175 15.848 15.848 224 1HH2 ARG 28 1HH2 ARG 28 -3.532 16.158 16.158 225 2HH2 ARG 28 2HH2 ARG 28 -4.377 16.975 16.975 226 H ILE 29 H ILE 29 -3.272 10.357 10.357 227 HA ILE 29 HA ILE 29 -2.170 12.951 12.951 228 HB ILE 29 HB ILE 29 -4.339 11.108 11.108 229 1HG1 ILE 29 1HG1 ILE 29 -4.902 12.387 12.387 230 2HG1 ILE 29 2HG1 ILE 29 -5.889 12.841 12.841 231 1HG2 ILE 29 3HG2 ILE 29 -3.530 13.700 13.700 232 2HG2 ILE 29 1HG2 ILE 29 -5.088 12.857 12.857 233 3HG2 ILE 29 2HG2 ILE 29 -3.589 12.057 12.057 234 1HD1 ILE 29 3HD1 ILE 29 -4.499 14.957 14.957 235 2HD1 ILE 29 1HD1 ILE 29 -3.539 14.494 14.494 236 3HD1 ILE 29 2HD1 ILE 29 -5.277 14.838 14.838 237 H LYS 30 H LYS 30 -2.529 10.160 10.160 238 HA LYS 30 HA LYS 30 -1.283 9.391 9.391 239 1HB LYS 30 1HB LYS 30 1.178 9.865 9.865 240 2HB LYS 30 2HB LYS 30 1.214 9.047 9.047 241 1HG LYS 30 1HG LYS 30 -0.280 8.055 8.055 242 2HG LYS 30 2HG LYS 30 1.262 7.484 7.484 243 1HD LYS 30 1HD LYS 30 0.123 6.733 6.733 244 2HD LYS 30 2HD LYS 30 -1.418 7.232 7.232 245 1HE LYS 30 1HE LYS 30 -1.275 4.851 4.851 246 2HE LYS 30 2HE LYS 30 -1.190 5.555 5.555 247 1HZ LYS 30 2HZ LYS 30 1.143 4.567 4.567 248 2HZ LYS 30 3HZ LYS 30 0.445 3.797 3.797 249 3HZ LYS 30 1HZ LYS 30 1.245 5.225 5.225 250 H GLN 31 H GLN 31 -2.223 11.341 11.341 251 HA GLN 31 HA GLN 31 -2.257 13.333 13.333 252 1HB GLN 31 1HB GLN 31 0.341 12.275 12.275 253 2HB GLN 31 2HB GLN 31 -0.596 13.612 13.612 254 1HG GLN 31 1HG GLN 31 -2.555 12.171 12.171 255 2HG GLN 31 2HG GLN 31 -1.752 10.783 10.783 256 1HE2 GLN 31 2HE2 GLN 31 0.147 10.117 10.117 257 2HE2 GLN 31 1HE2 GLN 31 -0.192 9.685 9.685 258 H SER 32 H SER 32 -1.574 13.957 13.957 259 HA SER 32 HA SER 32 0.747 15.273 15.273 260 1HB SER 32 1HB SER 32 -0.435 16.442 16.442 261 2HB SER 32 2HB SER 32 -0.988 14.785 14.785 262 HG SER 32 HG SER 32 -2.778 15.593 15.593 263 H GLU 33 H GLU 33 1.717 17.192 17.192 264 HA GLU 33 HA GLU 33 2.329 19.278 19.278 265 1HB GLU 33 1HB GLU 33 0.059 20.093 20.093 266 2HB GLU 33 2HB GLU 33 -0.432 20.081 20.081 267 1HG GLU 33 1HG GLU 33 1.395 21.770 21.770 268 2HG GLU 33 2HG GLU 33 1.910 21.740 21.740 269 H LEU 34 H LEU 34 0.786 17.516 17.516 270 HA LEU 34 HA LEU 34 2.565 18.433 18.433 271 1HB LEU 34 1HB LEU 34 0.336 17.706 17.706 272 2HB LEU 34 2HB LEU 34 0.472 16.187 16.187 273 HG LEU 34 HG LEU 34 0.572 16.159 16.159 274 1HD1 LEU 34 2HD1 LEU 34 1.314 14.183 14.183 275 2HD1 LEU 34 3HD1 LEU 34 2.996 14.754 14.754 276 3HD1 LEU 34 1HD1 LEU 34 2.137 14.307 14.307 277 1HD2 LEU 34 3HD2 LEU 34 2.085 18.114 18.114 278 2HD2 LEU 34 1HD2 LEU 34 2.642 16.641 16.641 279 3HD2 LEU 34 2HD2 LEU 34 3.463 17.196 17.196 280 H SER 35 H SER 35 2.174 15.924 15.924 281 HA SER 35 HA SER 35 4.835 14.589 14.589 282 1HB SER 35 1HB SER 35 2.583 13.907 13.907 283 2HB SER 35 2HB SER 35 4.113 13.043 13.043 284 HG SER 35 HG SER 35 3.678 12.607 12.607 285 H ALA 36 H ALA 36 4.070 14.783 14.783 286 HA ALA 36 HA ALA 36 5.317 15.677 15.677 287 1HB ALA 36 2HB ALA 36 4.297 17.802 17.802 288 2HB ALA 36 3HB ALA 36 5.710 18.192 18.192 289 3HB ALA 36 1HB ALA 36 5.897 18.016 18.016 290 H LYS 37 H LYS 37 7.279 16.619 16.619 291 HA LYS 37 HA LYS 37 9.865 15.733 15.733 292 1HB LYS 37 1HB LYS 37 9.737 17.711 17.711 293 2HB LYS 37 2HB LYS 37 9.285 16.630 16.630 294 1HG LYS 37 1HG LYS 37 11.514 15.418 15.418 295 2HG LYS 37 2HG LYS 37 11.934 16.524 16.524 296 1HD LYS 37 1HD LYS 37 11.757 18.474 18.474 297 2HD LYS 37 2HD LYS 37 11.319 17.396 17.396 298 1HE LYS 37 1HE LYS 37 14.009 17.279 17.279 299 2HE LYS 37 2HE LYS 37 13.761 18.146 18.146 300 1HZ LYS 37 1HZ LYS 37 13.207 16.035 16.035 301 2HZ LYS 37 2HZ LYS 37 13.434 15.204 15.204 302 3HZ LYS 37 3HZ LYS 37 14.708 15.968 15.968 303 H MET 38 H MET 38 7.579 14.482 14.482 304 HA MET 38 HA MET 38 8.910 11.932 11.932 305 1HB MET 38 1HB MET 38 5.910 12.591 12.591 306 2HB MET 38 2HB MET 38 6.553 11.072 11.072 307 1HG MET 38 1HG MET 38 7.191 13.755 13.755 308 2HG MET 38 2HG MET 38 5.930 12.622 12.622 309 1HE MET 38 2HE MET 38 9.926 12.873 12.873 310 2HE MET 38 1HE MET 38 9.367 13.631 13.631 311 3HE MET 38 3HE MET 38 10.359 12.141 12.141 312 H ARG 39 H ARG 39 6.552 12.744 12.744 313 HA ARG 39 HA ARG 39 6.507 10.023 10.023 314 1HB ARG 39 1HB ARG 39 5.791 12.736 12.736 315 2HB ARG 39 2HB ARG 39 5.632 11.220 11.220 316 1HG ARG 39 1HG ARG 39 4.045 10.310 10.310 317 2HG ARG 39 2HG ARG 39 4.179 11.732 11.732 318 1HD ARG 39 1HD ARG 39 3.161 11.786 11.786 319 2HD ARG 39 2HD ARG 39 2.120 11.616 11.616 320 HE ARG 39 HE ARG 39 3.609 13.987 13.987 321 1HH1 ARG 39 1HH1 ARG 39 1.404 12.969 12.969 322 2HH1 ARG 39 2HH1 ARG 39 0.963 14.720 14.720 323 1HH2 ARG 39 1HH2 ARG 39 3.035 15.938 15.938 324 2HH2 ARG 39 2HH2 ARG 39 1.825 16.283 16.283 325 H GLU 40 H GLU 40 8.459 12.874 12.874 326 HA GLU 40 HA GLU 40 9.971 11.504 11.504 327 1HB GLU 40 1HB GLU 40 9.644 14.030 14.030 328 2HB GLU 40 2HB GLU 40 10.923 13.933 13.933 329 1HG GLU 40 1HG GLU 40 11.186 13.111 13.111 330 2HG GLU 40 2HG GLU 40 11.496 14.727 14.727 331 H TRP 41 H TRP 41 10.738 11.984 11.984 332 HA TRP 41 HA TRP 41 13.280 10.513 10.513 333 1HB TRP 41 1HB TRP 41 12.529 12.174 12.174 334 2HB TRP 41 2HB TRP 41 11.274 11.078 11.078 335 HD1 TRP 41 HD1 TRP 41 15.044 11.792 11.792 336 HE1 TRP 41 HE1 TRP 41 16.155 10.267 10.267 337 HE3 TRP 41 HE3 TRP 41 11.122 8.594 8.594 338 HZ2 TRP 41 HZ2 TRP 41 15.233 7.995 7.995 339 HZ3 TRP 41 HZ3 TRP 41 11.288 6.748 6.748 340 HH2 TRP 41 HH2 TRP 41 13.309 6.457 6.457 341 H PHE 42 H PHE 42 9.931 9.309 9.309 342 HA PHE 42 HA PHE 42 10.697 6.561 6.561 343 1HB PHE 42 1HB PHE 42 8.086 7.390 7.390 344 2HB PHE 42 2HB PHE 42 8.400 5.809 5.809 345 HD1 PHE 42 HD1 PHE 42 9.603 6.423 6.423 346 HD2 PHE 42 HD2 PHE 42 6.219 8.091 8.091 347 HE1 PHE 42 HE1 PHE 42 8.699 7.257 7.257 348 HE2 PHE 42 HE2 PHE 42 5.316 8.881 8.881 349 HZ PHE 42 HZ PHE 42 6.585 8.532 8.532 350 H SER 43 H SER 43 10.416 8.101 8.101 351 HA SER 43 HA SER 43 10.797 5.636 5.636 352 1HB SER 43 1HB SER 43 9.639 7.661 7.661 353 2HB SER 43 2HB SER 43 11.135 8.593 8.593 354 HG SER 43 HG SER 43 10.756 6.190 6.190 355 H GLU 44 H GLU 44 12.930 8.273 8.273 356 HA GLU 44 HA GLU 44 15.451 7.282 7.282 357 1HB GLU 44 1HB GLU 44 14.864 9.028 9.028 358 2HB GLU 44 2HB GLU 44 16.500 8.596 8.596 359 1HG GLU 44 1HG GLU 44 16.323 9.659 9.659 360 2HG GLU 44 2HG GLU 44 14.608 9.955 9.955 361 H THR 45 H THR 45 14.088 6.782 6.782 362 HA THR 45 HA THR 45 16.127 4.960 4.960 363 HB THR 45 HB THR 45 13.257 5.240 5.240 364 HG1 THR 45 HG1 THR 45 14.466 7.155 7.155 365 1HG2 THR 45 3HG2 THR 45 15.751 4.227 4.227 366 2HG2 THR 45 1HG2 THR 45 14.155 4.553 4.553 367 3HG2 THR 45 2HG2 THR 45 14.342 3.233 3.233 368 H PHE 46 H PHE 46 12.976 4.154 4.154 369 HA PHE 46 HA PHE 46 13.217 1.259 1.259 370 1HB PHE 46 1HB PHE 46 11.119 2.483 2.483 371 2HB PHE 46 2HB PHE 46 11.822 3.170 3.170 372 HD1 PHE 46 HD1 PHE 46 10.874 -0.154 -0.154 373 HD2 PHE 46 HD2 PHE 46 11.604 1.998 1.998 374 HE1 PHE 46 HE1 PHE 46 10.028 -2.063 -2.063 375 HE2 PHE 46 HE2 PHE 46 10.749 0.084 0.084 376 HZ PHE 46 HZ PHE 46 9.962 -1.948 -1.948 377 H GLN 47 H GLN 47 14.303 3.524 3.524 378 HA GLN 47 HA GLN 47 15.531 1.429 1.429 379 1HB GLN 47 1HB GLN 47 16.036 4.456 4.456 380 2HB GLN 47 2HB GLN 47 16.751 3.362 3.362 381 1HG GLN 47 1HG GLN 47 13.737 3.847 3.847 382 2HG GLN 47 2HG GLN 47 14.756 4.517 4.517 383 1HE2 GLN 47 2HE2 GLN 47 12.941 1.235 1.235 384 2HE2 GLN 47 1HE2 GLN 47 12.388 2.560 2.560 385 H LYS 48 H LYS 48 17.049 3.445 3.445 386 HA LYS 48 HA LYS 48 19.788 2.532 2.532 387 1HB LYS 48 1HB LYS 48 18.435 3.607 3.607 388 2HB LYS 48 2HB LYS 48 20.146 3.219 3.219 389 1HG LYS 48 1HG LYS 48 20.492 4.837 4.837 390 2HG LYS 48 2HG LYS 48 18.802 5.301 5.301 391 1HD LYS 48 1HD LYS 48 20.789 5.643 5.643 392 2HD LYS 48 2HD LYS 48 20.372 6.886 6.886 393 1HE LYS 48 1HE LYS 48 17.948 6.823 6.823 394 2HE LYS 48 2HE LYS 48 18.376 5.612 5.612 395 1HZ LYS 48 1HZ LYS 48 19.506 8.363 8.363 396 2HZ LYS 48 2HZ LYS 48 18.369 7.835 7.835 397 3HZ LYS 48 3HZ LYS 48 19.906 7.231 7.231 398 H VAL 49 H VAL 49 17.278 1.090 1.090 399 HA VAL 49 HA VAL 49 18.971 -1.191 -1.191 400 HB VAL 49 HB VAL 49 15.936 -1.217 -1.217 401 1HG1 VAL 49 3HG1 VAL 49 16.901 -3.479 -3.479 402 2HG1 VAL 49 1HG1 VAL 49 17.842 -2.875 -2.875 403 3HG1 VAL 49 2HG1 VAL 49 16.061 -2.919 -2.919 404 1HG2 VAL 49 2HG2 VAL 49 16.608 0.743 0.743 405 2HG2 VAL 49 3HG2 VAL 49 15.873 -0.541 -0.541 406 3HG2 VAL 49 1HG2 VAL 49 17.643 -0.325 -0.325 407 H LYS 50 H LYS 50 16.556 -0.775 -0.775 408 HA LYS 50 HA LYS 50 16.489 -3.471 -3.471 409 1HB LYS 50 1HB LYS 50 14.724 -1.820 -1.820 410 2HB LYS 50 2HB LYS 50 15.800 -0.794 -0.794 411 1HG LYS 50 1HG LYS 50 15.861 -2.482 -2.482 412 2HG LYS 50 2HG LYS 50 14.772 -3.542 -3.542 413 1HD LYS 50 1HD LYS 50 12.976 -1.796 -1.796 414 2HD LYS 50 2HD LYS 50 14.081 -0.614 -0.614 415 1HE LYS 50 1HE LYS 50 12.706 -1.291 -1.291 416 2HE LYS 50 2HE LYS 50 14.291 -1.991 -1.991 417 1HZ LYS 50 1HZ LYS 50 11.952 -3.454 -3.454 418 2HZ LYS 50 2HZ LYS 50 12.511 -3.589 -3.589 419 3HZ LYS 50 3HZ LYS 50 13.433 -4.129 -4.129 420 H GLU 51 H GLU 51 18.409 -0.805 -0.805 421 HA GLU 51 HA GLU 51 19.832 -2.376 -2.376 422 1HB GLU 51 1HB GLU 51 21.377 -0.585 -0.585 423 2HB GLU 51 2HB GLU 51 19.779 0.083 0.083 424 1HG GLU 51 1HG GLU 51 20.459 0.498 0.498 425 2HG GLU 51 2HG GLU 51 22.085 0.028 0.028 426 H LYS 52 H LYS 52 20.369 -2.360 -2.360 427 HA LYS 52 HA LYS 52 23.085 -3.684 -3.684 428 1HB LYS 52 1HB LYS 52 21.303 -3.201 -3.201 429 2HB LYS 52 2HB LYS 52 22.890 -3.933 -3.933 430 1HG LYS 52 1HG LYS 52 22.323 -1.045 -1.045 431 2HG LYS 52 2HG LYS 52 22.835 -1.531 -1.531 432 1HD LYS 52 1HD LYS 52 25.010 -2.446 -2.446 433 2HD LYS 52 2HD LYS 52 24.482 -1.962 -1.962 434 1HE LYS 52 1HE LYS 52 25.993 -0.257 -0.257 435 2HE LYS 52 2HE LYS 52 24.390 0.473 0.473 436 1HZ LYS 52 2HZ LYS 52 25.848 -0.577 -0.577 437 2HZ LYS 52 3HZ LYS 52 25.651 1.015 1.015 438 3HZ LYS 52 1HZ LYS 52 24.343 0.104 0.104 439 H LEU 53 H LEU 53 19.665 -4.679 -4.679 440 HA LEU 53 HA LEU 53 20.291 -7.480 -7.480 441 1HB LEU 53 1HB LEU 53 17.745 -5.944 -5.944 442 2HB LEU 53 2HB LEU 53 17.737 -7.643 -7.643 443 HG LEU 53 HG LEU 53 18.610 -5.546 -5.546 444 1HD1 LEU 53 2HD1 LEU 53 16.189 -5.334 -5.334 445 2HD1 LEU 53 3HD1 LEU 53 15.931 -7.067 -7.067 446 3HD1 LEU 53 1HD1 LEU 53 16.399 -5.967 -5.967 447 1HD2 LEU 53 1HD2 LEU 53 18.092 -8.575 -8.575 448 2HD2 LEU 53 2HD2 LEU 53 19.668 -7.756 -7.756 449 3HD2 LEU 53 3HD2 LEU 53 18.399 -7.407 -7.407 450 H LYS 54 H LYS 54 19.693 -9.293 -9.293 451 HA LYS 54 HA LYS 54 19.093 -8.797 -8.797 452 1HB LYS 54 1HB LYS 54 21.052 -9.566 -9.566 453 2HB LYS 54 2HB LYS 54 21.294 -8.026 -8.026 454 1HG LYS 54 1HG LYS 54 22.446 -10.665 -10.665 455 2HG LYS 54 2HG LYS 54 23.257 -9.646 -9.646 456 1HD LYS 54 1HD LYS 54 23.237 -7.710 -7.710 457 2HD LYS 54 2HD LYS 54 22.485 -8.749 -8.749 458 1HE LYS 54 1HE LYS 54 24.476 -10.314 -10.314 459 2HE LYS 54 2HE LYS 54 25.243 -9.272 -9.272 460 1HZ LYS 54 1HZ LYS 54 24.503 -8.429 -8.429 461 2HZ LYS 54 2HZ LYS 54 26.029 -8.769 -8.769 462 3HZ LYS 54 3HZ LYS 54 25.218 -7.458 -7.458 463 H ILE 55 H ILE 55 20.841 -11.303 -11.303 464 HA ILE 55 HA ILE 55 18.914 -13.391 -13.391 465 HB ILE 55 HB ILE 55 21.498 -13.857 -13.857 466 1HG1 ILE 55 1HG1 ILE 55 22.167 -13.008 -13.008 467 2HG1 ILE 55 2HG1 ILE 55 22.526 -14.710 -14.710 468 1HG2 ILE 55 2HG2 ILE 55 19.917 -15.722 -15.722 469 2HG2 ILE 55 3HG2 ILE 55 19.658 -15.920 -15.920 470 3HG2 ILE 55 1HG2 ILE 55 21.251 -16.266 -16.266 471 1HD1 ILE 55 2HD1 ILE 55 20.508 -15.223 -15.223 472 2HD1 ILE 55 3HD1 ILE 55 20.166 -13.474 -13.474 473 3HD1 ILE 55 1HD1 ILE 55 21.674 -14.129 -14.129 474 H ASP 56 H ASP 56 17.154 -12.878 -12.878 475 HA ASP 56 HA ASP 56 17.193 -12.543 -12.543 476 1HB ASP 56 1HB ASP 56 14.964 -11.973 -11.973 477 2HB ASP 56 2HB ASP 56 14.785 -11.807 -11.807 478 H SER 57 H SER 57 14.500 -14.120 -14.120 479 HA SER 57 HA SER 57 15.103 -16.757 -16.757 480 1HB SER 57 1HB SER 57 12.376 -15.302 -15.302 481 2HB SER 57 2HB SER 57 12.669 -16.971 -16.971 482 HG SER 57 HG SER 57 12.804 -15.510 -15.510 Start of MODEL 16 1 1H THR 1 3H THR 1 -19.398 2.771 2.771 2 2H THR 1 1H THR 1 -19.314 2.945 2.945 3 3H THR 1 2H THR 1 -19.629 4.256 4.256 4 HA THR 1 HA THR 1 -21.730 3.360 3.360 5 HB THR 1 HB THR 1 -21.687 4.919 4.919 6 HG1 THR 1 HG1 THR 1 -23.613 4.288 4.288 7 1HG2 THR 1 2HG2 THR 1 -20.223 3.755 3.755 8 2HG2 THR 1 3HG2 THR 1 -21.525 2.589 2.589 9 3HG2 THR 1 1HG2 THR 1 -21.764 4.313 4.313 10 HA PRO 2 HA PRO 2 -21.568 -1.270 -1.270 11 1HB PRO 2 1HB PRO 2 -21.118 -2.321 -2.321 12 2HB PRO 2 2HB PRO 2 -19.778 -1.600 -1.600 13 1HG PRO 2 1HG PRO 2 -21.410 -0.307 -0.307 14 2HG PRO 2 2HG PRO 2 -19.645 -0.307 -0.307 15 1HD PRO 2 1HD PRO 2 -21.308 1.810 1.810 16 2HD PRO 2 2HD PRO 2 -19.760 1.448 1.448 17 H ASP 3 H ASP 3 -23.678 -1.007 -1.007 18 HA ASP 3 HA ASP 3 -25.899 -0.692 -0.692 19 1HB ASP 3 1HB ASP 3 -27.410 -0.580 -0.580 20 2HB ASP 3 2HB ASP 3 -26.032 0.464 0.464 21 H VAL 4 H VAL 4 -27.577 -1.999 -1.999 22 HA VAL 4 HA VAL 4 -26.812 -4.863 -4.863 23 HB VAL 4 HB VAL 4 -29.348 -3.510 -3.510 24 1HG1 VAL 4 1HG1 VAL 4 -27.956 -6.100 -6.100 25 2HG1 VAL 4 2HG1 VAL 4 -29.356 -5.334 -5.334 26 3HG1 VAL 4 3HG1 VAL 4 -29.524 -5.990 -5.990 27 1HG2 VAL 4 1HG2 VAL 4 -26.649 -3.841 -3.841 28 2HG2 VAL 4 2HG2 VAL 4 -27.376 -2.299 -2.299 29 3HG2 VAL 4 3HG2 VAL 4 -28.169 -3.271 -3.271 30 H SER 5 H SER 5 -29.389 -3.208 -3.208 31 HA SER 5 HA SER 5 -30.650 -5.692 -5.692 32 1HB SER 5 1HB SER 5 -30.643 -2.935 -2.935 33 2HB SER 5 2HB SER 5 -31.681 -4.283 -4.283 34 HG SER 5 HG SER 5 -32.706 -2.863 -2.863 35 H SER 6 H SER 6 -27.822 -4.610 -4.610 36 HA SER 6 HA SER 6 -27.363 -6.540 -6.540 37 1HB SER 6 1HB SER 6 -26.324 -4.379 -4.379 38 2HB SER 6 2HB SER 6 -25.499 -4.326 -4.326 39 HG SER 6 HG SER 6 -24.182 -5.070 -5.070 40 H ALA 7 H ALA 7 -25.333 -5.589 -5.589 41 HA ALA 7 HA ALA 7 -24.772 -6.647 -6.647 42 1HB ALA 7 2HB ALA 7 -26.788 -8.028 -8.028 43 2HB ALA 7 3HB ALA 7 -26.097 -9.288 -9.288 44 3HB ALA 7 1HB ALA 7 -25.318 -8.881 -8.881 45 H LEU 8 H LEU 8 -24.296 -8.293 -8.293 46 HA LEU 8 HA LEU 8 -21.430 -7.917 -7.917 47 1HB LEU 8 1HB LEU 8 -21.752 -10.092 -10.092 48 2HB LEU 8 2HB LEU 8 -22.163 -10.914 -10.914 49 HG LEU 8 HG LEU 8 -19.857 -11.294 -11.294 50 1HD1 LEU 8 2HD1 LEU 8 -20.359 -11.583 -11.583 51 2HD1 LEU 8 3HD1 LEU 8 -19.810 -9.920 -9.920 52 3HD1 LEU 8 1HD1 LEU 8 -18.664 -11.137 -11.137 53 1HD2 LEU 8 3HD2 LEU 8 -19.322 -9.040 -9.040 54 2HD2 LEU 8 1HD2 LEU 8 -18.044 -9.634 -9.634 55 3HD2 LEU 8 2HD2 LEU 8 -19.159 -8.367 -8.367 56 H ASP 9 H ASP 9 -23.668 -9.953 -9.953 57 HA ASP 9 HA ASP 9 -23.924 -10.301 -10.301 58 1HB ASP 9 1HB ASP 9 -25.123 -8.337 -8.337 59 2HB ASP 9 2HB ASP 9 -24.095 -7.300 -7.300 60 H LYS 10 H LYS 10 -21.489 -10.355 -10.355 61 HA LYS 10 HA LYS 10 -19.330 -10.765 -10.765 62 1HB LYS 10 2HB LYS 10 -20.864 -11.466 -11.466 63 2HB LYS 10 1HB LYS 10 -20.334 -9.989 -9.989 64 1HG LYS 10 1HG LYS 10 -18.536 -12.331 -12.331 65 2HG LYS 10 2HG LYS 10 -19.153 -12.097 -12.097 66 1HD LYS 10 1HD LYS 10 -17.091 -11.269 -11.269 67 2HD LYS 10 2HD LYS 10 -17.856 -9.758 -9.758 68 1HE LYS 10 1HE LYS 10 -16.925 -10.148 -10.148 69 2HE LYS 10 2HE LYS 10 -16.104 -11.582 -11.582 70 1HZ LYS 10 1HZ LYS 10 -14.898 -10.147 -10.147 71 2HZ LYS 10 2HZ LYS 10 -15.674 -8.805 -8.805 72 3HZ LYS 10 3HZ LYS 10 -14.652 -9.652 -9.652 73 H LEU 11 H LEU 11 -19.325 -8.750 -8.750 74 HA LEU 11 HA LEU 11 -18.624 -6.597 -6.597 75 1HB LEU 11 1HB LEU 11 -16.564 -7.182 -7.182 76 2HB LEU 11 2HB LEU 11 -16.517 -5.743 -5.743 77 HG LEU 11 HG LEU 11 -14.926 -7.264 -7.264 78 1HD1 LEU 11 3HD2 LEU 11 -16.038 -5.798 -5.798 79 2HD1 LEU 11 1HD2 LEU 11 -17.168 -7.110 -7.110 80 3HD1 LEU 11 2HD2 LEU 11 -15.425 -7.297 -7.297 81 1HD2 LEU 11 1HD1 LEU 11 -15.870 -9.469 -9.469 82 2HD2 LEU 11 2HD1 LEU 11 -15.328 -9.461 -9.461 83 3HD2 LEU 11 3HD1 LEU 11 -17.064 -9.377 -9.377 84 H LYS 12 H LYS 12 -20.925 -6.266 -6.266 85 HA LYS 12 HA LYS 12 -20.497 -3.545 -3.545 86 1HB LYS 12 1HB LYS 12 -21.451 -4.421 -4.421 87 2HB LYS 12 2HB LYS 12 -22.186 -5.775 -5.775 88 1HG LYS 12 1HG LYS 12 -23.557 -3.016 -3.016 89 2HG LYS 12 2HG LYS 12 -23.664 -4.039 -4.039 90 1HD LYS 12 1HD LYS 12 -24.676 -5.885 -5.885 91 2HD LYS 12 2HD LYS 12 -24.445 -5.132 -5.132 92 1HE LYS 12 1HE LYS 12 -26.006 -3.238 -3.238 93 2HE LYS 12 2HE LYS 12 -26.249 -3.996 -3.996 94 1HZ LYS 12 2HZ LYS 12 -26.935 -5.243 -5.243 95 2HZ LYS 12 3HZ LYS 12 -28.008 -4.590 -4.590 96 3HZ LYS 12 1HZ LYS 12 -27.162 -5.951 -5.951 97 H GLU 13 H GLU 13 -20.092 -3.463 -3.463 98 HA GLU 13 HA GLU 13 -21.886 -1.586 -1.586 99 1HB GLU 13 1HB GLU 13 -22.852 -2.577 -2.577 100 2HB GLU 13 2HB GLU 13 -23.526 -3.209 -3.209 101 1HG GLU 13 1HG GLU 13 -23.420 -5.156 -5.156 102 2HG GLU 13 2HG GLU 13 -21.887 -5.296 -5.296 103 H PHE 14 H PHE 14 -19.662 -4.174 -4.174 104 HA PHE 14 HA PHE 14 -17.972 -2.146 -2.146 105 1HB PHE 14 1HB PHE 14 -18.279 -4.470 -4.470 106 2HB PHE 14 2HB PHE 14 -17.403 -5.131 -5.131 107 HD1 PHE 14 HD1 PHE 14 -17.136 -2.725 -2.725 108 HD2 PHE 14 HD2 PHE 14 -14.931 -5.098 -5.098 109 HE1 PHE 14 HE1 PHE 14 -15.032 -2.191 -2.191 110 HE2 PHE 14 HE2 PHE 14 -12.843 -4.560 -4.560 111 HZ PHE 14 HZ PHE 14 -12.886 -3.103 -3.103 112 H GLY 15 H GLY 15 -17.947 -3.775 -3.775 113 1HA GLY 15 1HA GLY 15 -15.418 -2.614 -2.614 114 2HA GLY 15 2HA GLY 15 -16.783 -3.076 -3.076 115 H ASN 16 H ASN 16 -18.763 -1.383 -1.383 116 HA ASN 16 HA ASN 16 -18.210 1.322 1.322 117 1HB ASN 16 1HB ASN 16 -20.542 0.277 0.277 118 2HB ASN 16 2HB ASN 16 -20.448 1.915 1.915 119 1HD2 ASN 16 1HD2 ASN 16 -21.417 1.105 1.105 120 2HD2 ASN 16 2HD2 ASN 16 -20.581 2.334 2.334 121 H THR 17 H THR 17 -18.016 -0.028 -0.028 122 HA THR 17 HA THR 17 -17.527 2.506 2.506 123 HB THR 17 HB THR 17 -16.559 -0.307 -0.307 124 HG1 THR 17 HG1 THR 17 -18.910 1.123 1.123 125 1HG2 THR 17 3HG2 THR 17 -17.054 2.185 2.185 126 2HG2 THR 17 1HG2 THR 17 -16.673 0.546 0.546 127 3HG2 THR 17 2HG2 THR 17 -15.465 1.447 1.447 128 H LEU 18 H LEU 18 -15.194 0.072 0.072 129 HA LEU 18 HA LEU 18 -12.957 2.025 2.025 130 1HB LEU 18 1HB LEU 18 -11.384 0.395 0.395 131 2HB LEU 18 2HB LEU 18 -12.479 -0.239 -0.239 132 HG LEU 18 HG LEU 18 -13.708 -1.482 -1.482 133 1HD1 LEU 18 3HD1 LEU 18 -11.095 -0.729 -0.729 134 2HD1 LEU 18 1HD1 LEU 18 -12.234 -1.997 -1.997 135 3HD1 LEU 18 2HD1 LEU 18 -12.752 -0.310 -0.310 136 1HD2 LEU 18 3HD2 LEU 18 -12.277 -2.617 -2.617 137 2HD2 LEU 18 1HD2 LEU 18 -12.063 -3.355 -3.355 138 3HD2 LEU 18 2HD2 LEU 18 -10.817 -2.257 -2.257 139 H GLU 19 H GLU 19 -15.200 2.175 2.175 140 HA GLU 19 HA GLU 19 -13.602 3.171 3.171 141 1HB GLU 19 1HB GLU 19 -15.772 2.009 2.009 142 2HB GLU 19 2HB GLU 19 -16.619 3.309 3.309 143 1HG GLU 19 1HG GLU 19 -14.869 3.641 3.641 144 2HG GLU 19 2HG GLU 19 -16.588 3.310 3.310 145 H ASP 20 H ASP 20 -15.923 4.568 4.568 146 HA ASP 20 HA ASP 20 -15.085 7.339 7.339 147 1HB ASP 20 1HB ASP 20 -16.383 7.922 7.922 148 2HB ASP 20 2HB ASP 20 -17.250 6.830 6.830 149 H LYS 21 H LYS 21 -13.944 4.987 4.987 150 HA LYS 21 HA LYS 21 -12.017 6.677 6.677 151 1HB LYS 21 1HB LYS 21 -11.923 3.660 3.660 152 2HB LYS 21 2HB LYS 21 -10.776 4.456 4.456 153 1HG LYS 21 1HG LYS 21 -12.501 5.134 5.134 154 2HG LYS 21 2HG LYS 21 -13.795 4.620 4.620 155 1HD LYS 21 1HD LYS 21 -13.596 2.944 2.944 156 2HD LYS 21 2HD LYS 21 -13.068 2.231 2.231 157 1HE LYS 21 1HE LYS 21 -10.633 2.531 2.531 158 2HE LYS 21 2HE LYS 21 -11.179 3.264 3.264 159 1HZ LYS 21 2HZ LYS 21 -12.321 1.168 1.168 160 2HZ LYS 21 3HZ LYS 21 -11.812 0.490 0.490 161 3HZ LYS 21 1HZ LYS 21 -10.710 0.908 0.908 162 H ALA 22 H ALA 22 -11.398 4.581 4.581 163 HA ALA 22 HA ALA 22 -8.631 5.486 5.486 164 1HB ALA 22 2HB ALA 22 -9.478 3.358 3.358 165 2HB ALA 22 3HB ALA 22 -10.594 4.248 4.248 166 3HB ALA 22 1HB ALA 22 -8.831 4.408 4.408 167 H ARG 23 H ARG 23 -11.694 6.656 6.656 168 HA ARG 23 HA ARG 23 -10.531 8.699 8.699 169 1HB ARG 23 1HB ARG 23 -12.887 7.751 7.751 170 2HB ARG 23 2HB ARG 23 -13.309 8.696 8.696 171 1HG ARG 23 1HG ARG 23 -12.781 10.816 10.816 172 2HG ARG 23 2HG ARG 23 -12.291 9.843 9.843 173 1HD ARG 23 1HD ARG 23 -14.649 8.856 8.856 174 2HD ARG 23 2HD ARG 23 -15.124 9.877 9.877 175 HE ARG 23 HE ARG 23 -13.996 11.576 11.576 176 1HH1 ARG 23 1HH1 ARG 23 -16.918 9.665 9.665 177 2HH1 ARG 23 2HH1 ARG 23 -17.893 10.735 10.735 178 1HH2 ARG 23 1HH2 ARG 23 -15.204 12.732 12.732 179 2HH2 ARG 23 2HH2 ARG 23 -16.986 12.353 12.353 180 H GLU 24 H GLU 24 -11.625 8.967 8.967 181 HA GLU 24 HA GLU 24 -10.851 11.763 11.763 182 1HB GLU 24 1HB GLU 24 -12.393 10.387 10.387 183 2HB GLU 24 2HB GLU 24 -11.024 9.427 9.427 184 1HG GLU 24 1HG GLU 24 -9.985 11.562 11.562 185 2HG GLU 24 2HG GLU 24 -11.403 12.465 12.465 186 H LEU 25 H LEU 25 -8.943 8.717 8.717 187 HA LEU 25 HA LEU 25 -6.628 10.174 10.174 188 1HB LEU 25 1HB LEU 25 -7.235 7.257 7.257 189 2HB LEU 25 2HB LEU 25 -5.559 7.712 7.712 190 HG LEU 25 HG LEU 25 -5.731 8.606 8.606 191 1HD1 LEU 25 2HD1 LEU 25 -8.085 9.435 9.435 192 2HD1 LEU 25 3HD1 LEU 25 -8.704 7.768 7.768 193 3HD1 LEU 25 1HD1 LEU 25 -7.743 8.320 8.320 194 1HD2 LEU 25 2HD2 LEU 25 -5.195 6.186 6.186 195 2HD2 LEU 25 3HD2 LEU 25 -6.062 6.436 6.436 196 3HD2 LEU 25 1HD2 LEU 25 -6.922 5.765 5.765 197 H ILE 26 H ILE 26 -7.122 8.782 8.782 198 HA ILE 26 HA ILE 26 -4.493 9.714 9.714 199 HB ILE 26 HB ILE 26 -7.024 8.682 8.682 200 1HG1 ILE 26 1HG1 ILE 26 -5.491 6.913 6.913 201 2HG1 ILE 26 2HG1 ILE 26 -4.110 7.648 7.648 202 1HG2 ILE 26 3HG2 ILE 26 -4.583 9.746 9.746 203 2HG2 ILE 26 1HG2 ILE 26 -5.899 8.758 8.758 204 3HG2 ILE 26 2HG2 ILE 26 -6.249 10.371 10.371 205 1HD1 ILE 26 3HD1 ILE 26 -6.528 6.330 6.330 206 2HD1 ILE 26 1HD1 ILE 26 -4.934 5.597 5.597 207 3HD1 ILE 26 2HD1 ILE 26 -5.087 6.987 6.987 208 H SER 27 H SER 27 -7.753 11.275 11.275 209 HA SER 27 HA SER 27 -6.873 13.795 13.795 210 1HB SER 27 1HB SER 27 -9.270 13.061 13.061 211 2HB SER 27 2HB SER 27 -9.204 13.349 13.349 212 HG SER 27 HG SER 27 -8.648 15.523 15.523 213 H ARG 28 H ARG 28 -6.735 12.769 12.769 214 HA ARG 28 HA ARG 28 -5.768 15.340 15.340 215 1HB ARG 28 1HB ARG 28 -6.840 13.664 13.664 216 2HB ARG 28 2HB ARG 28 -5.658 12.446 12.446 217 1HG ARG 28 1HG ARG 28 -5.168 13.179 13.179 218 2HG ARG 28 2HG ARG 28 -3.852 13.710 13.710 219 1HD ARG 28 1HD ARG 28 -4.919 16.045 16.045 220 2HD ARG 28 2HD ARG 28 -6.165 15.484 15.484 221 HE ARG 28 HE ARG 28 -3.704 14.830 14.830 222 1HH1 ARG 28 1HH1 ARG 28 -5.170 17.844 17.844 223 2HH1 ARG 28 2HH1 ARG 28 -4.261 18.805 18.805 224 1HH2 ARG 28 1HH2 ARG 28 -2.721 16.024 16.024 225 2HH2 ARG 28 2HH2 ARG 28 -2.969 17.841 17.841 226 H ILE 29 H ILE 29 -4.034 12.284 12.284 227 HA ILE 29 HA ILE 29 -1.451 13.108 13.108 228 HB ILE 29 HB ILE 29 -2.580 10.963 10.963 229 1HG1 ILE 29 1HG1 ILE 29 -2.671 10.683 10.683 230 2HG1 ILE 29 2HG1 ILE 29 -1.789 9.410 9.410 231 1HG2 ILE 29 3HG2 ILE 29 0.458 11.323 11.323 232 2HG2 ILE 29 1HG2 ILE 29 -0.371 9.815 9.815 233 3HG2 ILE 29 2HG2 ILE 29 -0.579 11.277 11.277 234 1HD1 ILE 29 2HD1 ILE 29 0.407 10.481 10.481 235 2HD1 ILE 29 3HD1 ILE 29 -0.510 11.748 11.748 236 3HD1 ILE 29 1HD1 ILE 29 -0.643 10.052 10.052 237 H LYS 30 H LYS 30 -2.243 12.995 12.995 238 HA LYS 30 HA LYS 30 0.109 14.623 14.623 239 1HB LYS 30 1HB LYS 30 -0.139 14.349 14.349 240 2HB LYS 30 2HB LYS 30 -0.858 12.899 12.899 241 1HG LYS 30 1HG LYS 30 -2.385 15.352 15.352 242 2HG LYS 30 2HG LYS 30 -1.979 13.898 13.898 243 1HD LYS 30 1HD LYS 30 -3.412 12.522 12.522 244 2HD LYS 30 2HD LYS 30 -3.889 14.016 14.016 245 1HE LYS 30 1HE LYS 30 -4.884 14.914 14.914 246 2HE LYS 30 2HE LYS 30 -4.344 13.478 13.478 247 1HZ LYS 30 1HZ LYS 30 -5.784 12.126 12.126 248 2HZ LYS 30 2HZ LYS 30 -6.295 13.463 13.463 249 3HZ LYS 30 3HZ LYS 30 -6.655 13.294 13.294 250 H GLN 31 H GLN 31 -2.289 15.911 15.911 251 HA GLN 31 HA GLN 31 -1.196 18.583 18.583 252 1HB GLN 31 1HB GLN 31 -3.343 18.379 18.379 253 2HB GLN 31 2HB GLN 31 -4.244 18.340 18.340 254 1HG GLN 31 1HG GLN 31 -3.250 20.564 20.564 255 2HG GLN 31 2HG GLN 31 -2.254 20.510 20.510 256 1HE2 GLN 31 2HE2 GLN 31 -4.938 21.796 21.796 257 2HE2 GLN 31 1HE2 GLN 31 -3.213 21.179 21.179 258 H SER 32 H SER 32 -0.571 16.908 16.908 259 HA SER 32 HA SER 32 -1.260 18.870 18.870 260 1HB SER 32 1HB SER 32 -1.753 17.121 17.121 261 2HB SER 32 2HB SER 32 -2.870 16.979 16.979 262 HG SER 32 HG SER 32 -1.511 15.311 15.311 263 H GLU 33 H GLU 33 0.155 18.985 18.985 264 HA GLU 33 HA GLU 33 2.949 17.926 17.926 265 1HB GLU 33 1HB GLU 33 3.575 19.245 19.245 266 2HB GLU 33 2HB GLU 33 2.546 20.246 20.246 267 1HG GLU 33 1HG GLU 33 1.765 18.883 18.883 268 2HG GLU 33 2HG GLU 33 2.223 20.558 20.558 269 H LEU 34 H LEU 34 0.487 16.124 16.124 270 HA LEU 34 HA LEU 34 1.566 14.610 14.610 271 1HB LEU 34 1HB LEU 34 -0.886 15.015 15.015 272 2HB LEU 34 2HB LEU 34 -0.993 14.211 14.211 273 HG LEU 34 HG LEU 34 -1.850 13.015 13.015 274 1HD1 LEU 34 3HD1 LEU 34 -1.427 11.763 11.763 275 2HD1 LEU 34 1HD1 LEU 34 0.213 11.348 11.348 276 3HD1 LEU 34 2HD1 LEU 34 -1.203 10.750 10.750 277 1HD2 LEU 34 3HD2 LEU 34 -0.042 13.553 13.553 278 2HD2 LEU 34 1HD2 LEU 34 -0.377 11.811 11.811 279 3HD2 LEU 34 2HD2 LEU 34 1.078 12.471 12.471 280 H SER 35 H SER 35 1.102 14.377 14.377 281 HA SER 35 HA SER 35 2.312 11.850 11.850 282 1HB SER 35 1HB SER 35 2.571 12.422 12.422 283 2HB SER 35 2HB SER 35 1.051 13.082 13.082 284 HG SER 35 HG SER 35 2.108 15.108 15.108 285 H ALA 36 H ALA 36 4.428 14.922 14.922 286 HA ALA 36 HA ALA 36 6.911 13.513 13.513 287 1HB ALA 36 2HB ALA 36 6.672 15.989 15.989 288 2HB ALA 36 3HB ALA 36 6.189 16.090 16.090 289 3HB ALA 36 1HB ALA 36 7.831 15.561 15.561 290 H LYS 37 H LYS 37 4.615 13.286 13.286 291 HA LYS 37 HA LYS 37 6.596 12.407 12.407 292 1HB LYS 37 1HB LYS 37 3.570 12.166 12.166 293 2HB LYS 37 2HB LYS 37 4.798 11.959 11.959 294 1HG LYS 37 1HG LYS 37 4.056 14.607 14.607 295 2HG LYS 37 2HG LYS 37 3.541 14.085 14.085 296 1HD LYS 37 1HD LYS 37 5.946 14.129 14.129 297 2HD LYS 37 2HD LYS 37 6.476 14.599 14.599 298 1HE LYS 37 1HE LYS 37 6.444 16.615 16.615 299 2HE LYS 37 2HE LYS 37 5.107 16.740 16.740 300 1HZ LYS 37 1HZ LYS 37 4.862 15.969 15.969 301 2HZ LYS 37 2HZ LYS 37 4.456 17.432 17.432 302 3HZ LYS 37 3HZ LYS 37 3.596 16.080 16.080 303 H MET 38 H MET 38 3.942 10.923 10.923 304 HA MET 38 HA MET 38 4.559 8.108 8.108 305 1HB MET 38 1HB MET 38 3.576 9.557 9.557 306 2HB MET 38 2HB MET 38 3.630 7.827 7.827 307 1HG MET 38 1HG MET 38 1.809 9.752 9.752 308 2HG MET 38 2HG MET 38 1.352 8.594 8.594 309 1HE MET 38 2HE MET 38 1.230 5.972 5.972 310 2HE MET 38 1HE MET 38 2.946 5.786 5.786 311 3HE MET 38 3HE MET 38 1.651 5.113 5.113 312 H ARG 39 H ARG 39 6.083 10.439 10.439 313 HA ARG 39 HA ARG 39 7.599 8.397 8.397 314 1HB ARG 39 1HB ARG 39 6.698 10.627 10.627 315 2HB ARG 39 2HB ARG 39 8.002 11.448 11.448 316 1HG ARG 39 1HG ARG 39 9.668 10.196 10.196 317 2HG ARG 39 2HG ARG 39 8.370 9.275 9.275 318 1HD ARG 39 1HD ARG 39 8.791 12.332 12.332 319 2HD ARG 39 2HD ARG 39 9.164 11.148 11.148 320 HE ARG 39 HE ARG 39 6.692 10.628 10.628 321 1HH1 ARG 39 1HH1 ARG 39 7.402 13.605 13.605 322 2HH1 ARG 39 2HH1 ARG 39 5.691 14.197 14.197 323 1HH2 ARG 39 1HH2 ARG 39 4.799 11.424 11.424 324 2HH2 ARG 39 2HH2 ARG 39 4.322 13.047 13.047 325 H GLU 40 H GLU 40 8.607 10.785 10.785 326 HA GLU 40 HA GLU 40 11.364 9.832 9.832 327 1HB GLU 40 1HB GLU 40 10.427 12.030 12.030 328 2HB GLU 40 2HB GLU 40 9.555 11.129 11.129 329 1HG GLU 40 1HG GLU 40 11.831 10.272 10.272 330 2HG GLU 40 2HG GLU 40 12.630 11.252 11.252 331 H TRP 41 H TRP 41 8.297 8.803 8.803 332 HA TRP 41 HA TRP 41 9.420 6.721 6.721 333 1HB TRP 41 1HB TRP 41 7.156 7.725 7.725 334 2HB TRP 41 2HB TRP 41 6.594 6.996 6.996 335 HD1 TRP 41 HD1 TRP 41 7.205 6.220 6.220 336 HE1 TRP 41 HE1 TRP 41 6.316 3.826 3.826 337 HE3 TRP 41 HE3 TRP 41 6.428 4.561 4.561 338 HZ2 TRP 41 HZ2 TRP 41 5.419 1.577 1.577 339 HZ3 TRP 41 HZ3 TRP 41 5.571 2.250 2.250 340 HH2 TRP 41 HH2 TRP 41 5.083 0.791 0.791 341 H PHE 42 H PHE 42 8.427 6.507 6.507 342 HA PHE 42 HA PHE 42 8.722 3.539 3.539 343 1HB PHE 42 1HB PHE 42 8.714 5.646 5.646 344 2HB PHE 42 2HB PHE 42 8.913 3.946 3.946 345 HD1 PHE 42 HD2 PHE 42 7.008 2.347 2.347 346 HD2 PHE 42 HD1 PHE 42 6.479 6.372 6.372 347 HE1 PHE 42 HE2 PHE 42 4.590 1.977 1.977 348 HE2 PHE 42 HE1 PHE 42 4.064 5.984 5.984 349 HZ PHE 42 HZ PHE 42 3.110 3.792 3.792 350 H SER 43 H SER 43 10.949 6.190 6.190 351 HA SER 43 HA SER 43 13.296 4.569 4.569 352 1HB SER 43 1HB SER 43 13.251 7.392 7.392 353 2HB SER 43 2HB SER 43 14.688 6.573 6.573 354 HG SER 43 HG SER 43 13.638 6.397 6.397 355 H GLU 44 H GLU 44 12.326 5.988 5.988 356 HA GLU 44 HA GLU 44 14.334 4.735 4.735 357 1HB GLU 44 1HB GLU 44 11.458 5.635 5.635 358 2HB GLU 44 2HB GLU 44 12.588 5.113 5.113 359 1HG GLU 44 1HG GLU 44 14.155 6.965 6.965 360 2HG GLU 44 2HG GLU 44 13.179 7.506 7.506 361 H THR 45 H THR 45 11.197 3.397 3.397 362 HA THR 45 HA THR 45 11.481 0.951 0.951 363 HB THR 45 HB THR 45 9.335 1.648 1.648 364 HG1 THR 45 HG1 THR 45 8.164 2.151 2.151 365 1HG2 THR 45 3HG2 THR 45 9.310 -0.497 -0.497 366 2HG2 THR 45 1HG2 THR 45 7.912 -0.018 -0.018 367 3HG2 THR 45 2HG2 THR 45 9.304 -0.814 -0.814 368 H PHE 46 H PHE 46 11.523 1.567 1.567 369 HA PHE 46 HA PHE 46 12.262 -1.272 -1.272 370 1HB PHE 46 1HB PHE 46 10.804 0.094 0.094 371 2HB PHE 46 2HB PHE 46 12.232 0.920 0.920 372 HD1 PHE 46 HD2 PHE 46 10.349 -2.294 -2.294 373 HD2 PHE 46 HD1 PHE 46 13.819 -0.354 -0.354 374 HE1 PHE 46 HE2 PHE 46 10.716 -4.206 -4.206 375 HE2 PHE 46 HE1 PHE 46 14.169 -2.282 -2.282 376 HZ PHE 46 HZ PHE 46 12.627 -4.211 -4.211 377 H GLN 47 H GLN 47 13.899 -1.675 -1.675 378 HA GLN 47 HA GLN 47 16.698 -1.381 -1.381 379 1HB GLN 47 1HB GLN 47 17.653 -0.027 -0.027 380 2HB GLN 47 2HB GLN 47 16.892 0.885 0.885 381 1HG GLN 47 1HG GLN 47 14.967 1.495 1.495 382 2HG GLN 47 2HG GLN 47 15.522 0.440 0.440 383 1HE2 GLN 47 2HE2 GLN 47 17.405 4.085 4.085 384 2HE2 GLN 47 1HE2 GLN 47 16.373 3.399 3.399 385 H LYS 48 H LYS 48 14.561 -1.397 -1.397 386 HA LYS 48 HA LYS 48 15.696 -3.885 -3.885 387 1HB LYS 48 1HB LYS 48 12.945 -2.571 -2.571 388 2HB LYS 48 2HB LYS 48 13.551 -3.938 -3.938 389 1HG LYS 48 1HG LYS 48 15.393 -2.563 -2.563 390 2HG LYS 48 2HG LYS 48 14.927 -1.179 -1.179 391 1HD LYS 48 1HD LYS 48 12.635 -1.179 -1.179 392 2HD LYS 48 2HD LYS 48 13.155 -2.500 -2.500 393 1HE LYS 48 1HE LYS 48 15.003 -0.997 -0.997 394 2HE LYS 48 2HE LYS 48 14.459 0.313 0.313 395 1HZ LYS 48 1HZ LYS 48 12.299 0.258 0.258 396 2HZ LYS 48 2HZ LYS 48 12.805 -0.964 -0.964 397 3HZ LYS 48 3HZ LYS 48 13.521 0.523 0.523 398 H VAL 49 H VAL 49 12.820 -3.144 -3.144 399 HA VAL 49 HA VAL 49 12.084 -5.932 -5.932 400 HB VAL 49 HB VAL 49 11.525 -3.610 -3.610 401 1HG1 VAL 49 3HG1 VAL 49 10.875 -5.829 -5.829 402 2HG1 VAL 49 1HG1 VAL 49 9.895 -6.184 -6.184 403 3HG1 VAL 49 2HG1 VAL 49 9.428 -4.872 -4.872 404 1HG2 VAL 49 3HG2 VAL 49 10.682 -2.808 -2.808 405 2HG2 VAL 49 1HG2 VAL 49 9.320 -3.177 -3.177 406 3HG2 VAL 49 2HG2 VAL 49 9.771 -4.320 -4.320 407 H LYS 50 H LYS 50 14.317 -3.587 -3.587 408 HA LYS 50 HA LYS 50 14.568 -5.072 -5.072 409 1HB LYS 50 1HB LYS 50 15.182 -2.664 -2.664 410 2HB LYS 50 2HB LYS 50 16.496 -3.214 -3.214 411 1HG LYS 50 1HG LYS 50 17.585 -4.273 -4.273 412 2HG LYS 50 2HG LYS 50 16.340 -3.582 -3.582 413 1HD LYS 50 1HD LYS 50 18.025 -1.905 -1.905 414 2HD LYS 50 2HD LYS 50 18.643 -2.321 -2.321 415 1HE LYS 50 1HE LYS 50 16.069 -0.676 -0.676 416 2HE LYS 50 2HE LYS 50 17.656 0.014 0.014 417 1HZ LYS 50 2HZ LYS 50 17.677 -1.065 -1.065 418 2HZ LYS 50 3HZ LYS 50 16.185 -1.723 -1.723 419 3HZ LYS 50 1HZ LYS 50 16.357 -0.084 -0.084 420 H GLU 51 H GLU 51 16.463 -5.372 -5.372 421 HA GLU 51 HA GLU 51 18.457 -7.345 -7.345 422 1HB GLU 51 1HB GLU 51 16.955 -6.928 -6.928 423 2HB GLU 51 2HB GLU 51 18.271 -8.075 -8.075 424 1HG GLU 51 1HG GLU 51 19.912 -6.332 -6.332 425 2HG GLU 51 2HG GLU 51 18.680 -5.086 -5.086 426 H LYS 52 H LYS 52 14.997 -7.887 -7.887 427 HA LYS 52 HA LYS 52 15.348 -10.912 -10.912 428 1HB LYS 52 1HB LYS 52 12.841 -9.319 -9.319 429 2HB LYS 52 2HB LYS 52 12.924 -11.059 -11.059 430 1HG LYS 52 1HG LYS 52 14.451 -9.386 -9.386 431 2HG LYS 52 2HG LYS 52 12.971 -10.289 -10.289 432 1HD LYS 52 1HD LYS 52 14.151 -12.451 -12.451 433 2HD LYS 52 2HD LYS 52 15.660 -11.595 -11.595 434 1HE LYS 52 1HE LYS 52 14.133 -11.592 -11.592 435 2HE LYS 52 2HE LYS 52 15.447 -12.693 -12.693 436 1HZ LYS 52 1HZ LYS 52 16.932 -10.780 -10.780 437 2HZ LYS 52 2HZ LYS 52 15.714 -9.731 -9.731 438 3HZ LYS 52 3HZ LYS 52 16.258 -10.808 -10.808 439 H LEU 53 H LEU 53 12.969 -8.506 -8.506 440 HA LEU 53 HA LEU 53 12.871 -9.967 -9.967 441 1HB LEU 53 1HB LEU 53 11.056 -7.862 -7.862 442 2HB LEU 53 2HB LEU 53 10.944 -8.407 -8.407 443 HG LEU 53 HG LEU 53 10.551 -10.791 -10.791 444 1HD1 LEU 53 2HD2 LEU 53 10.236 -9.428 -9.428 445 2HD1 LEU 53 3HD2 LEU 53 9.597 -11.043 -11.043 446 3HD1 LEU 53 1HD2 LEU 53 11.336 -10.763 -10.763 447 1HD2 LEU 53 2HD1 LEU 53 8.714 -9.299 -9.299 448 2HD2 LEU 53 3HD1 LEU 53 8.132 -10.351 -10.351 449 3HD2 LEU 53 1HD1 LEU 53 8.489 -8.636 -8.636 450 H LYS 54 H LYS 54 14.908 -9.099 -9.099 451 HA LYS 54 HA LYS 54 15.482 -6.190 -6.190 452 1HB LYS 54 1HB LYS 54 17.243 -7.999 -7.999 453 2HB LYS 54 2HB LYS 54 17.056 -8.325 -8.325 454 1HG LYS 54 1HG LYS 54 17.746 -5.952 -5.952 455 2HG LYS 54 2HG LYS 54 17.820 -5.579 -5.579 456 1HD LYS 54 1HD LYS 54 19.636 -7.320 -7.320 457 2HD LYS 54 2HD LYS 54 19.581 -7.669 -7.669 458 1HE LYS 54 1HE LYS 54 20.239 -5.268 -5.268 459 2HE LYS 54 2HE LYS 54 20.272 -4.903 -4.903 460 1HZ LYS 54 2HZ LYS 54 22.006 -6.909 -6.909 461 2HZ LYS 54 3HZ LYS 54 22.477 -5.413 -5.413 462 3HZ LYS 54 1HZ LYS 54 22.038 -6.570 -6.570 463 H ILE 55 H ILE 55 14.501 -4.814 -4.814 464 HA ILE 55 HA ILE 55 14.244 -5.295 -5.295 465 HB ILE 55 HB ILE 55 12.413 -3.477 -3.477 466 1HG1 ILE 55 1HG1 ILE 55 11.714 -5.753 -5.753 467 2HG1 ILE 55 2HG1 ILE 55 10.522 -4.925 -4.925 468 1HG2 ILE 55 2HG2 ILE 55 12.781 -2.539 -2.539 469 2HG2 ILE 55 3HG2 ILE 55 12.339 -4.081 -4.081 470 3HG2 ILE 55 1HG2 ILE 55 11.122 -3.142 -3.142 471 1HD1 ILE 55 1HD1 ILE 55 12.497 -7.052 -7.052 472 2HD1 ILE 55 2HD1 ILE 55 10.773 -7.291 -7.291 473 3HD1 ILE 55 3HD1 ILE 55 11.263 -6.218 -6.218 474 H ASP 56 H ASP 56 16.276 -4.574 -4.574 475 HA ASP 56 HA ASP 56 17.438 -2.258 -2.258 476 1HB ASP 56 1HB ASP 56 18.705 -4.329 -4.329 477 2HB ASP 56 2HB ASP 56 18.638 -3.841 -3.841 478 H SER 57 H SER 57 17.378 -2.555 -2.555 479 HA SER 57 HA SER 57 16.917 -1.058 -1.058 480 1HB SER 57 1HB SER 57 14.656 -0.802 -0.802 481 2HB SER 57 2HB SER 57 15.216 0.609 0.609 482 HG SER 57 HG SER 57 15.779 1.556 1.556 Start of MODEL 17 1 1H THR 1 2H THR 1 -25.052 -7.822 -7.822 2 2H THR 1 3H THR 1 -24.418 -9.163 -9.163 3 3H THR 1 1H THR 1 -23.487 -8.261 -8.261 4 HA THR 1 HA THR 1 -23.561 -6.382 -6.382 5 HB THR 1 HB THR 1 -22.581 -9.046 -9.046 6 HG1 THR 1 HG1 THR 1 -21.260 -6.880 -6.880 7 1HG2 THR 1 3HG2 THR 1 -21.689 -6.303 -6.303 8 2HG2 THR 1 1HG2 THR 1 -20.962 -7.882 -7.882 9 3HG2 THR 1 2HG2 THR 1 -22.611 -7.544 -7.544 10 HA PRO 2 HA PRO 2 -27.326 -6.702 -6.702 11 1HB PRO 2 1HB PRO 2 -27.355 -4.167 -4.167 12 2HB PRO 2 2HB PRO 2 -27.672 -4.356 -4.356 13 1HG PRO 2 1HG PRO 2 -25.033 -3.592 -3.592 14 2HG PRO 2 2HG PRO 2 -25.838 -2.829 -2.829 15 1HD PRO 2 1HD PRO 2 -23.797 -4.663 -4.663 16 2HD PRO 2 2HD PRO 2 -25.143 -4.562 -4.562 17 H ASP 3 H ASP 3 -27.468 -7.881 -7.881 18 HA ASP 3 HA ASP 3 -25.379 -8.188 -8.188 19 1HB ASP 3 1HB ASP 3 -26.891 -10.007 -10.007 20 2HB ASP 3 2HB ASP 3 -28.218 -9.335 -9.335 21 H VAL 4 H VAL 4 -28.701 -7.387 -7.387 22 HA VAL 4 HA VAL 4 -27.629 -5.273 -5.273 23 HB VAL 4 HB VAL 4 -27.224 -7.575 -7.575 24 1HG1 VAL 4 3HG1 VAL 4 -29.455 -8.694 -8.694 25 2HG1 VAL 4 1HG1 VAL 4 -30.149 -7.632 -7.632 26 3HG1 VAL 4 2HG1 VAL 4 -28.849 -8.761 -8.761 27 1HG2 VAL 4 2HG2 VAL 4 -26.983 -5.460 -5.460 28 2HG2 VAL 4 3HG2 VAL 4 -27.574 -6.754 -6.754 29 3HG2 VAL 4 1HG2 VAL 4 -28.703 -5.505 -5.505 30 H SER 5 H SER 5 -30.597 -7.137 -7.137 31 HA SER 5 HA SER 5 -32.869 -6.518 -6.518 32 1HB SER 5 1HB SER 5 -32.078 -4.314 -4.314 33 2HB SER 5 2HB SER 5 -33.730 -4.818 -4.818 34 HG SER 5 HG SER 5 -32.894 -5.858 -5.858 35 H SER 6 H SER 6 -31.803 -5.919 -5.919 36 HA SER 6 HA SER 6 -31.767 -4.656 -4.656 37 1HB SER 6 1HB SER 6 -34.254 -3.226 -3.226 38 2HB SER 6 2HB SER 6 -33.612 -3.118 -3.118 39 HG SER 6 HG SER 6 -35.203 -4.696 -4.696 40 H ALA 7 H ALA 7 -29.684 -3.939 -3.939 41 HA ALA 7 HA ALA 7 -29.531 -0.945 -0.945 42 1HB ALA 7 3HB ALA 7 -28.253 -2.379 -2.379 43 2HB ALA 7 1HB ALA 7 -27.308 -3.062 -3.062 44 3HB ALA 7 2HB ALA 7 -27.170 -1.335 -1.335 45 H LEU 8 H LEU 8 -27.775 -3.287 -3.287 46 HA LEU 8 HA LEU 8 -27.212 -1.183 -1.183 47 1HB LEU 8 1HB LEU 8 -25.715 -3.213 -3.213 48 2HB LEU 8 2HB LEU 8 -26.818 -4.208 -4.208 49 HG LEU 8 HG LEU 8 -24.714 -3.592 -3.592 50 1HD1 LEU 8 2HD1 LEU 8 -26.718 -4.181 -4.181 51 2HD1 LEU 8 3HD1 LEU 8 -27.017 -2.445 -2.445 52 3HD1 LEU 8 1HD1 LEU 8 -25.509 -3.178 -3.178 53 1HD2 LEU 8 3HD2 LEU 8 -24.401 -1.259 -1.259 54 2HD2 LEU 8 1HD2 LEU 8 -24.174 -1.368 -1.368 55 3HD2 LEU 8 2HD2 LEU 8 -25.675 -0.677 -0.677 56 H ASP 9 H ASP 9 -29.675 -3.705 -3.705 57 HA ASP 9 HA ASP 9 -30.827 -3.391 -3.391 58 1HB ASP 9 1HB ASP 9 -31.256 -5.357 -5.357 59 2HB ASP 9 2HB ASP 9 -32.272 -4.319 -4.319 60 H LYS 10 H LYS 10 -31.766 -1.771 -1.771 61 HA LYS 10 HA LYS 10 -33.741 0.026 0.026 62 1HB LYS 10 2HB LYS 10 -33.733 -0.634 -0.634 63 2HB LYS 10 1HB LYS 10 -32.309 0.367 0.367 64 1HG LYS 10 1HG LYS 10 -33.671 2.393 2.393 65 2HG LYS 10 2HG LYS 10 -35.087 1.361 1.361 66 1HD LYS 10 1HD LYS 10 -33.497 1.881 1.881 67 2HD LYS 10 2HD LYS 10 -34.970 2.716 2.716 68 1HE LYS 10 1HE LYS 10 -36.256 0.515 0.515 69 2HE LYS 10 2HE LYS 10 -34.785 -0.319 -0.319 70 1HZ LYS 10 3HZ LYS 10 -36.113 1.892 1.892 71 2HZ LYS 10 1HZ LYS 10 -36.166 0.287 0.287 72 3HZ LYS 10 2HZ LYS 10 -34.738 1.113 1.113 73 H LEU 11 H LEU 11 -30.465 0.793 0.793 74 HA LEU 11 HA LEU 11 -30.228 3.173 3.173 75 1HB LEU 11 1HB LEU 11 -28.518 2.317 2.317 76 2HB LEU 11 2HB LEU 11 -28.168 3.700 3.700 77 HG LEU 11 HG LEU 11 -30.811 3.423 3.423 78 1HD1 LEU 11 3HD2 LEU 11 -28.904 3.412 3.412 79 2HD1 LEU 11 1HD2 LEU 11 -28.260 4.909 4.909 80 3HD1 LEU 11 2HD2 LEU 11 -29.831 4.919 4.919 81 1HD2 LEU 11 2HD1 LEU 11 -30.938 5.077 5.077 82 2HD2 LEU 11 3HD1 LEU 11 -31.005 5.900 5.900 83 3HD2 LEU 11 1HD1 LEU 11 -29.497 5.920 5.920 84 H LYS 12 H LYS 12 -30.088 1.546 1.546 85 HA LYS 12 HA LYS 12 -27.663 -0.026 -0.026 86 1HB LYS 12 1HB LYS 12 -28.369 -0.558 -0.558 87 2HB LYS 12 2HB LYS 12 -29.625 -0.788 -0.788 88 1HG LYS 12 1HG LYS 12 -30.722 1.399 1.399 89 2HG LYS 12 2HG LYS 12 -29.494 1.534 1.534 90 1HD LYS 12 1HD LYS 12 -30.241 -0.718 -0.718 91 2HD LYS 12 2HD LYS 12 -31.452 -0.823 -0.823 92 1HE LYS 12 1HE LYS 12 -32.608 -0.077 -0.077 93 2HE LYS 12 2HE LYS 12 -32.561 1.303 1.303 94 1HZ LYS 12 1HZ LYS 12 -30.738 0.878 0.878 95 2HZ LYS 12 2HZ LYS 12 -32.005 1.936 1.936 96 3HZ LYS 12 3HZ LYS 12 -30.679 2.180 2.180 97 H GLU 13 H GLU 13 -28.453 2.999 2.999 98 HA GLU 13 HA GLU 13 -25.638 3.227 3.227 99 1HB GLU 13 1HB GLU 13 -26.238 5.300 5.300 100 2HB GLU 13 2HB GLU 13 -27.366 4.020 4.020 101 1HG GLU 13 1HG GLU 13 -29.050 5.027 5.027 102 2HG GLU 13 2HG GLU 13 -27.919 6.335 6.335 103 H PHE 14 H PHE 14 -27.425 4.847 4.847 104 HA PHE 14 HA PHE 14 -25.120 6.503 6.503 105 1HB PHE 14 1HB PHE 14 -27.453 7.115 7.115 106 2HB PHE 14 2HB PHE 14 -27.617 5.694 5.694 107 HD1 PHE 14 HD2 PHE 14 -25.889 9.007 9.007 108 HD2 PHE 14 HD1 PHE 14 -26.561 5.626 5.626 109 HE1 PHE 14 HE2 PHE 14 -24.925 10.245 10.245 110 HE2 PHE 14 HE1 PHE 14 -25.602 6.881 6.881 111 HZ PHE 14 HZ PHE 14 -24.777 9.187 9.187 112 H GLY 15 H GLY 15 -26.270 3.270 3.270 113 1HA GLY 15 1HA GLY 15 -24.212 2.747 2.747 114 2HA GLY 15 2HA GLY 15 -25.049 1.489 1.489 115 H ASN 16 H ASN 16 -24.213 1.959 1.959 116 HA ASN 16 HA ASN 16 -21.460 0.959 0.959 117 1HB ASN 16 1HB ASN 16 -23.485 2.099 2.099 118 2HB ASN 16 2HB ASN 16 -21.857 1.887 1.887 119 1HD2 ASN 16 1HD2 ASN 16 -22.060 -1.714 -1.714 120 2HD2 ASN 16 2HD2 ASN 16 -20.949 -0.255 -0.255 121 H THR 17 H THR 17 -22.647 4.340 4.340 122 HA THR 17 HA THR 17 -20.139 5.527 5.527 123 HB THR 17 HB THR 17 -22.384 6.856 6.856 124 HG1 THR 17 HG1 THR 17 -21.786 6.751 6.751 125 1HG2 THR 17 3HG2 THR 17 -20.164 8.173 8.173 126 2HG2 THR 17 1HG2 THR 17 -21.574 9.005 9.005 127 3HG2 THR 17 2HG2 THR 17 -20.336 8.315 8.315 128 H LEU 18 H LEU 18 -21.369 5.445 5.445 129 HA LEU 18 HA LEU 18 -18.596 5.982 5.982 130 1HB LEU 18 1HB LEU 18 -19.316 6.344 6.344 131 2HB LEU 18 2HB LEU 18 -20.573 7.035 7.035 132 HG LEU 18 HG LEU 18 -20.731 4.310 4.310 133 1HD1 LEU 18 2HD1 LEU 18 -20.619 6.240 6.240 134 2HD1 LEU 18 3HD1 LEU 18 -21.995 7.023 7.023 135 3HD1 LEU 18 1HD1 LEU 18 -22.220 5.478 5.478 136 1HD2 LEU 18 3HD2 LEU 18 -22.984 5.868 5.868 137 2HD2 LEU 18 1HD2 LEU 18 -22.292 4.298 4.298 138 3HD2 LEU 18 2HD2 LEU 18 -23.220 4.422 4.422 139 H GLU 19 H GLU 19 -19.574 3.292 3.292 140 HA GLU 19 HA GLU 19 -18.026 1.432 1.432 141 1HB GLU 19 1HB GLU 19 -20.001 0.465 0.465 142 2HB GLU 19 2HB GLU 19 -19.304 0.832 0.832 143 1HG GLU 19 1HG GLU 19 -19.007 -1.529 -1.529 144 2HG GLU 19 2HG GLU 19 -17.418 -0.790 -0.790 145 H ASP 20 H ASP 20 -17.732 2.634 2.634 146 HA ASP 20 HA ASP 20 -14.899 1.994 1.994 147 1HB ASP 20 1HB ASP 20 -14.823 3.244 3.244 148 2HB ASP 20 2HB ASP 20 -16.278 2.289 2.289 149 H LYS 21 H LYS 21 -16.346 5.186 5.186 150 HA LYS 21 HA LYS 21 -13.956 6.555 6.555 151 1HB LYS 21 1HB LYS 21 -16.422 7.437 7.437 152 2HB LYS 21 2HB LYS 21 -16.523 6.900 6.900 153 1HG LYS 21 1HG LYS 21 -16.043 9.248 9.248 154 2HG LYS 21 2HG LYS 21 -14.595 8.429 8.429 155 1HD LYS 21 1HD LYS 21 -13.806 10.137 10.137 156 2HD LYS 21 2HD LYS 21 -13.633 8.688 8.688 157 1HE LYS 21 1HE LYS 21 -15.800 9.270 9.270 158 2HE LYS 21 2HE LYS 21 -15.952 10.728 10.728 159 1HZ LYS 21 2HZ LYS 21 -13.829 11.504 11.504 160 2HZ LYS 21 3HZ LYS 21 -13.688 10.141 10.141 161 3HZ LYS 21 1HZ LYS 21 -14.918 11.207 11.207 162 H ALA 22 H ALA 22 -15.754 4.669 4.669 163 HA ALA 22 HA ALA 22 -13.840 5.015 5.015 164 1HB ALA 22 2HB ALA 22 -16.123 4.137 4.137 165 2HB ALA 22 3HB ALA 22 -15.733 2.636 2.636 166 3HB ALA 22 1HB ALA 22 -14.915 3.013 3.013 167 H ARG 23 H ARG 23 -13.995 2.278 2.278 168 HA ARG 23 HA ARG 23 -11.577 0.878 0.878 169 1HB ARG 23 1HB ARG 23 -12.933 1.186 1.186 170 2HB ARG 23 2HB ARG 23 -11.580 0.106 0.106 171 1HG ARG 23 1HG ARG 23 -12.827 -1.299 -1.299 172 2HG ARG 23 2HG ARG 23 -14.149 -0.150 -0.150 173 1HD ARG 23 1HD ARG 23 -14.895 -1.950 -1.950 174 2HD ARG 23 2HD ARG 23 -14.723 -0.518 -0.518 175 HE ARG 23 HE ARG 23 -12.255 -2.142 -2.142 176 1HH1 ARG 23 1HH1 ARG 23 -15.607 -2.127 -2.127 177 2HH1 ARG 23 2HH1 ARG 23 -15.113 -3.142 -3.142 178 1HH2 ARG 23 1HH2 ARG 23 -11.807 -3.294 -3.294 179 2HH2 ARG 23 2HH2 ARG 23 -13.104 -3.757 -3.757 180 H GLU 24 H GLU 24 -11.855 3.623 3.623 181 HA GLU 24 HA GLU 24 -8.976 3.800 3.800 182 1HB GLU 24 1HB GLU 24 -10.808 4.780 4.780 183 2HB GLU 24 2HB GLU 24 -11.152 5.973 5.973 184 1HG GLU 24 1HG GLU 24 -9.836 6.985 6.985 185 2HG GLU 24 2HG GLU 24 -8.887 7.002 7.002 186 H LEU 25 H LEU 25 -10.929 5.279 5.279 187 HA LEU 25 HA LEU 25 -8.759 6.938 6.938 188 1HB LEU 25 2HB LEU 25 -11.184 5.770 5.770 189 2HB LEU 25 1HB LEU 25 -10.072 6.928 6.928 190 HG LEU 25 HG LEU 25 -11.824 7.499 7.499 191 1HD1 LEU 25 2HD1 LEU 25 -13.198 7.169 7.169 192 2HD1 LEU 25 3HD1 LEU 25 -12.231 8.390 8.390 193 3HD1 LEU 25 1HD1 LEU 25 -13.235 8.861 8.861 194 1HD2 LEU 25 2HD2 LEU 25 -10.114 9.461 9.461 195 2HD2 LEU 25 3HD2 LEU 25 -9.809 8.955 8.955 196 3HD2 LEU 25 1HD2 LEU 25 -11.253 9.903 9.903 197 H ILE 26 H ILE 26 -9.629 3.503 3.503 198 HA ILE 26 HA ILE 26 -7.491 3.052 3.052 199 HB ILE 26 HB ILE 26 -8.568 0.840 0.840 200 1HG1 ILE 26 1HG1 ILE 26 -10.635 1.657 1.657 201 2HG1 ILE 26 2HG1 ILE 26 -10.301 0.202 0.202 202 1HG2 ILE 26 1HG2 ILE 26 -6.639 0.185 0.185 203 2HG2 ILE 26 2HG2 ILE 26 -7.468 0.715 0.715 204 3HG2 ILE 26 3HG2 ILE 26 -8.086 -0.668 -0.668 205 1HD1 ILE 26 2HD1 ILE 26 -9.692 1.580 1.580 206 2HD1 ILE 26 3HD1 ILE 26 -10.067 3.068 3.068 207 3HD1 ILE 26 1HD1 ILE 26 -11.348 1.884 1.884 208 H SER 27 H SER 27 -7.583 2.389 2.389 209 HA SER 27 HA SER 27 -4.598 2.053 2.053 210 1HB SER 27 1HB SER 27 -4.895 1.562 1.562 211 2HB SER 27 2HB SER 27 -6.003 0.606 0.606 212 HG SER 27 HG SER 27 -7.628 2.159 2.159 213 H ARG 28 H ARG 28 -4.662 4.258 4.258 214 HA ARG 28 HA ARG 28 -3.145 5.997 5.997 215 1HB ARG 28 1HB ARG 28 -4.187 8.014 8.014 216 2HB ARG 28 2HB ARG 28 -5.270 6.809 6.809 217 1HG ARG 28 1HG ARG 28 -6.865 8.102 8.102 218 2HG ARG 28 2HG ARG 28 -6.520 7.188 7.188 219 1HD ARG 28 1HD ARG 28 -4.884 9.038 9.038 220 2HD ARG 28 2HD ARG 28 -5.302 9.933 9.933 221 HE ARG 28 HE ARG 28 -7.804 9.399 9.399 222 1HH1 ARG 28 1HH1 ARG 28 -4.839 11.257 11.257 223 2HH1 ARG 28 2HH1 ARG 28 -5.785 12.433 12.433 224 1HH2 ARG 28 1HH2 ARG 28 -8.779 10.804 10.804 225 2HH2 ARG 28 2HH2 ARG 28 -7.861 12.192 12.192 226 H ILE 29 H ILE 29 -5.183 6.014 6.014 227 HA ILE 29 HA ILE 29 -3.249 7.149 7.149 228 HB ILE 29 HB ILE 29 -5.609 5.269 5.269 229 1HG1 ILE 29 1HG1 ILE 29 -6.324 6.858 6.858 230 2HG1 ILE 29 2HG1 ILE 29 -4.782 7.706 7.706 231 1HG2 ILE 29 3HG2 ILE 29 -3.679 5.391 5.391 232 2HG2 ILE 29 1HG2 ILE 29 -5.367 4.807 4.807 233 3HG2 ILE 29 2HG2 ILE 29 -4.176 3.947 3.947 234 1HD1 ILE 29 3HD1 ILE 29 -6.892 7.585 7.585 235 2HD1 ILE 29 1HD1 ILE 29 -6.631 8.938 8.938 236 3HD1 ILE 29 2HD1 ILE 29 -5.366 8.505 8.505 237 H LYS 30 H LYS 30 -3.513 3.608 3.608 238 HA LYS 30 HA LYS 30 -0.885 3.085 3.085 239 1HB LYS 30 1HB LYS 30 -1.202 0.790 0.790 240 2HB LYS 30 2HB LYS 30 -2.736 1.457 1.457 241 1HG LYS 30 1HG LYS 30 -3.155 1.729 1.729 242 2HG LYS 30 2HG LYS 30 -1.815 0.603 0.603 243 1HD LYS 30 1HD LYS 30 -3.076 -1.015 -1.015 244 2HD LYS 30 2HD LYS 30 -4.385 0.154 0.154 245 1HE LYS 30 1HE LYS 30 -5.056 -1.551 -1.551 246 2HE LYS 30 2HE LYS 30 -4.792 -0.069 -0.069 247 1HZ LYS 30 3HZ LYS 30 -2.864 -2.339 -2.339 248 2HZ LYS 30 1HZ LYS 30 -3.815 -1.982 -1.982 249 3HZ LYS 30 2HZ LYS 30 -2.600 -0.953 -0.953 250 H GLN 31 H GLN 31 -1.095 4.707 4.707 251 HA GLN 31 HA GLN 31 1.508 3.718 3.718 252 1HB GLN 31 1HB GLN 31 -0.808 4.830 4.830 253 2HB GLN 31 2HB GLN 31 0.815 4.635 4.635 254 1HG GLN 31 1HG GLN 31 0.748 2.167 2.167 255 2HG GLN 31 2HG GLN 31 -0.860 2.284 2.284 256 1HE2 GLN 31 2HE2 GLN 31 -2.444 2.434 2.434 257 2HE2 GLN 31 1HE2 GLN 31 -2.632 2.546 2.546 258 H SER 32 H SER 32 -0.177 6.366 6.366 259 HA SER 32 HA SER 32 2.222 8.192 8.192 260 1HB SER 32 1HB SER 32 0.663 8.747 8.747 261 2HB SER 32 2HB SER 32 -0.626 9.136 9.136 262 HG SER 32 HG SER 32 0.792 10.700 10.700 263 H GLU 33 H GLU 33 2.632 9.183 9.183 264 HA GLU 33 HA GLU 33 2.693 9.744 9.744 265 1HB GLU 33 1HB GLU 33 1.132 11.027 11.027 266 2HB GLU 33 2HB GLU 33 1.181 11.509 11.509 267 1HG GLU 33 1HG GLU 33 -1.079 11.692 11.692 268 2HG GLU 33 2HG GLU 33 -1.046 10.512 10.512 269 H LEU 34 H LEU 34 1.030 6.967 6.967 270 HA LEU 34 HA LEU 34 1.971 5.972 5.972 271 1HB LEU 34 1HB LEU 34 -0.126 4.920 4.920 272 2HB LEU 34 2HB LEU 34 0.620 4.485 4.485 273 HG LEU 34 HG LEU 34 0.229 2.655 2.655 274 1HD1 LEU 34 2HD1 LEU 34 1.739 2.322 2.322 275 2HD1 LEU 34 3HD1 LEU 34 3.144 2.770 2.770 276 3HD1 LEU 34 1HD1 LEU 34 2.191 1.327 1.327 277 1HD2 LEU 34 3HD2 LEU 34 1.025 3.789 3.789 278 2HD2 LEU 34 1HD2 LEU 34 1.819 2.219 2.219 279 3HD2 LEU 34 2HD2 LEU 34 2.702 3.724 3.724 280 H SER 35 H SER 35 2.446 5.938 5.938 281 HA SER 35 HA SER 35 5.409 5.227 5.227 282 1HB SER 35 1HB SER 35 3.610 4.684 4.684 283 2HB SER 35 2HB SER 35 5.384 4.512 4.512 284 HG SER 35 HG SER 35 5.133 3.016 3.016 285 H ALA 36 H ALA 36 5.527 7.308 7.308 286 HA ALA 36 HA ALA 36 6.837 8.550 8.550 287 1HB ALA 36 2HB ALA 36 5.364 10.389 10.389 288 2HB ALA 36 3HB ALA 36 6.077 10.276 10.276 289 3HB ALA 36 1HB ALA 36 7.081 10.773 10.773 290 H LYS 37 H LYS 37 6.942 7.198 7.198 291 HA LYS 37 HA LYS 37 9.886 7.560 7.560 292 1HB LYS 37 1HB LYS 37 7.777 5.715 5.715 293 2HB LYS 37 2HB LYS 37 9.475 5.616 5.616 294 1HG LYS 37 1HG LYS 37 8.498 6.855 6.855 295 2HG LYS 37 2HG LYS 37 9.560 7.920 7.920 296 1HD LYS 37 1HD LYS 37 7.569 9.117 9.117 297 2HD LYS 37 2HD LYS 37 7.627 9.092 9.092 298 1HE LYS 37 1HE LYS 37 5.898 7.196 7.196 299 2HE LYS 37 2HE LYS 37 5.853 7.247 7.247 300 1HZ LYS 37 3HZ LYS 37 5.136 9.508 9.508 301 2HZ LYS 37 1HZ LYS 37 4.071 8.553 8.553 302 3HZ LYS 37 2HZ LYS 37 5.086 9.563 9.563 303 H MET 38 H MET 38 7.871 5.310 5.310 304 HA MET 38 HA MET 38 10.108 3.313 3.313 305 1HB MET 38 1HB MET 38 7.227 3.388 3.388 306 2HB MET 38 2HB MET 38 8.299 2.038 2.038 307 1HG MET 38 1HG MET 38 7.075 3.023 3.023 308 2HG MET 38 2HG MET 38 6.600 1.605 1.605 309 1HE MET 38 2HE MET 38 8.272 2.789 2.789 310 2HE MET 38 1HE MET 38 9.599 1.658 1.658 311 3HE MET 38 3HE MET 38 9.894 3.023 3.023 312 H ARG 39 H ARG 39 9.098 6.099 6.099 313 HA ARG 39 HA ARG 39 10.731 5.101 5.101 314 1HB ARG 39 1HB ARG 39 9.126 5.980 5.980 315 2HB ARG 39 2HB ARG 39 8.522 4.623 4.623 316 1HG ARG 39 1HG ARG 39 7.111 6.147 6.147 317 2HG ARG 39 2HG ARG 39 7.735 7.554 7.554 318 1HD ARG 39 1HD ARG 39 6.774 6.666 6.666 319 2HD ARG 39 2HD ARG 39 6.147 5.268 5.268 320 HE ARG 39 HE ARG 39 4.528 6.680 6.680 321 1HH1 ARG 39 1HH1 ARG 39 6.484 8.635 8.635 322 2HH1 ARG 39 2HH1 ARG 39 5.337 10.051 10.051 323 1HH2 ARG 39 1HH2 ARG 39 3.268 8.340 8.340 324 2HH2 ARG 39 2HH2 ARG 39 3.647 9.893 9.893 325 H GLU 40 H GLU 40 9.219 8.098 8.098 326 HA GLU 40 HA GLU 40 11.128 9.874 9.874 327 1HB GLU 40 1HB GLU 40 9.187 10.433 10.433 328 2HB GLU 40 2HB GLU 40 10.177 11.678 11.678 329 1HG GLU 40 1HG GLU 40 9.118 11.413 11.413 330 2HG GLU 40 2HG GLU 40 8.272 9.956 9.956 331 H TRP 41 H TRP 41 10.962 8.758 8.758 332 HA TRP 41 HA TRP 41 13.567 9.833 9.833 333 1HB TRP 41 1HB TRP 41 11.810 9.201 9.201 334 2HB TRP 41 2HB TRP 41 11.821 7.548 7.548 335 HD1 TRP 41 HD1 TRP 41 13.676 9.930 9.930 336 HE1 TRP 41 HE1 TRP 41 15.394 8.631 8.631 337 HE3 TRP 41 HE3 TRP 41 13.451 5.502 5.502 338 HZ2 TRP 41 HZ2 TRP 41 16.424 5.961 5.961 339 HZ3 TRP 41 HZ3 TRP 41 14.889 3.619 3.619 340 HH2 TRP 41 HH2 TRP 41 16.327 3.844 3.844 341 H PHE 42 H PHE 42 12.714 6.648 6.648 342 HA PHE 42 HA PHE 42 15.450 5.544 5.544 343 1HB PHE 42 1HB PHE 42 13.073 4.812 4.812 344 2HB PHE 42 2HB PHE 42 14.632 4.237 4.237 345 HD1 PHE 42 HD1 PHE 42 12.306 4.231 4.231 346 HD2 PHE 42 HD2 PHE 42 15.543 2.256 2.256 347 HE1 PHE 42 HE1 PHE 42 12.159 2.357 2.357 348 HE2 PHE 42 HE2 PHE 42 15.387 0.389 0.389 349 HZ PHE 42 HZ PHE 42 13.718 0.458 0.458 350 H SER 43 H SER 43 14.000 7.729 7.729 351 HA SER 43 HA SER 43 16.232 7.707 7.707 352 1HB SER 43 1HB SER 43 13.884 8.303 8.303 353 2HB SER 43 2HB SER 43 13.964 9.763 9.763 354 HG SER 43 HG SER 43 15.763 10.405 10.405 355 H GLU 44 H GLU 44 15.304 9.967 9.967 356 HA GLU 44 HA GLU 44 17.685 11.702 11.702 357 1HB GLU 44 1HB GLU 44 15.513 12.435 12.435 358 2HB GLU 44 2HB GLU 44 15.732 11.311 11.311 359 1HG GLU 44 1HG GLU 44 16.277 13.533 13.533 360 2HG GLU 44 2HG GLU 44 17.749 12.582 12.582 361 H THR 45 H THR 45 16.922 9.051 9.051 362 HA THR 45 HA THR 45 19.694 9.002 9.002 363 HB THR 45 HB THR 45 17.255 7.245 7.245 364 HG1 THR 45 HG1 THR 45 16.889 8.643 8.643 365 1HG2 THR 45 1HG2 THR 45 19.723 7.697 7.697 366 2HG2 THR 45 2HG2 THR 45 18.180 7.046 7.046 367 3HG2 THR 45 3HG2 THR 45 19.076 6.145 6.145 368 H PHE 46 H PHE 46 19.210 8.147 8.147 369 HA PHE 46 HA PHE 46 19.278 5.371 5.371 370 1HB PHE 46 1HB PHE 46 18.853 7.184 7.184 371 2HB PHE 46 2HB PHE 46 20.571 7.324 7.324 372 HD1 PHE 46 HD2 PHE 46 18.051 4.423 4.423 373 HD2 PHE 46 HD1 PHE 46 21.217 6.271 6.271 374 HE1 PHE 46 HE2 PHE 46 17.860 2.677 2.677 375 HE2 PHE 46 HE1 PHE 46 20.995 4.520 4.520 376 HZ PHE 46 HZ PHE 46 19.326 2.718 2.718 377 H GLN 47 H GLN 47 22.252 7.276 7.276 378 HA GLN 47 HA GLN 47 24.075 4.968 4.968 379 1HB GLN 47 1HB GLN 47 24.714 7.522 7.522 380 2HB GLN 47 2HB GLN 47 25.873 6.348 6.348 381 1HG GLN 47 1HG GLN 47 24.188 8.265 8.265 382 2HG GLN 47 2HG GLN 47 25.901 8.373 8.373 383 1HE2 GLN 47 2HE2 GLN 47 26.737 5.902 5.902 384 2HE2 GLN 47 1HE2 GLN 47 27.306 6.713 6.713 385 H LYS 48 H LYS 48 22.364 6.026 6.026 386 HA LYS 48 HA LYS 48 23.815 4.010 4.010 387 1HB LYS 48 1HB LYS 48 23.258 6.070 6.070 388 2HB LYS 48 2HB LYS 48 21.578 6.019 6.019 389 1HG LYS 48 1HG LYS 48 22.680 3.749 3.749 390 2HG LYS 48 2HG LYS 48 22.452 5.347 5.347 391 1HD LYS 48 1HD LYS 48 20.095 5.433 5.433 392 2HD LYS 48 2HD LYS 48 20.219 3.893 3.893 393 1HE LYS 48 1HE LYS 48 20.641 2.707 2.707 394 2HE LYS 48 2HE LYS 48 20.679 4.254 4.254 395 1HZ LYS 48 3HZ LYS 48 18.356 4.613 4.613 396 2HZ LYS 48 1HZ LYS 48 18.310 3.168 3.168 397 3HZ LYS 48 2HZ LYS 48 18.520 3.199 3.199 398 H VAL 49 H VAL 49 20.890 4.045 4.045 399 HA VAL 49 HA VAL 49 19.962 1.331 1.331 400 HB VAL 49 HB VAL 49 19.851 2.412 2.412 401 1HG1 VAL 49 3HG1 VAL 49 19.212 0.024 0.024 402 2HG1 VAL 49 1HG1 VAL 49 18.002 0.400 0.400 403 3HG1 VAL 49 2HG1 VAL 49 17.796 0.994 0.994 404 1HG2 VAL 49 2HG2 VAL 49 18.722 4.163 4.163 405 2HG2 VAL 49 3HG2 VAL 49 17.573 3.373 3.373 406 3HG2 VAL 49 1HG2 VAL 49 17.648 2.912 2.912 407 H LYS 50 H LYS 50 22.391 2.531 2.531 408 HA LYS 50 HA LYS 50 23.055 -0.058 -0.058 409 1HB LYS 50 1HB LYS 50 24.824 2.459 2.459 410 2HB LYS 50 2HB LYS 50 25.269 0.982 0.982 411 1HG LYS 50 1HG LYS 50 23.250 1.133 1.133 412 2HG LYS 50 2HG LYS 50 22.731 2.584 2.584 413 1HD LYS 50 1HD LYS 50 25.013 3.668 3.668 414 2HD LYS 50 2HD LYS 50 25.321 2.231 2.231 415 1HE LYS 50 1HE LYS 50 23.098 2.744 2.744 416 2HE LYS 50 2HE LYS 50 22.997 4.242 4.242 417 1HZ LYS 50 2HZ LYS 50 25.136 4.922 4.922 418 2HZ LYS 50 3HZ LYS 50 25.238 3.522 3.522 419 3HZ LYS 50 1HZ LYS 50 24.037 4.610 4.610 420 H GLU 51 H GLU 51 24.739 1.834 1.834 421 HA GLU 51 HA GLU 51 26.719 -0.124 -0.124 422 1HB GLU 51 1HB GLU 51 25.200 2.051 2.051 423 2HB GLU 51 2HB GLU 51 26.513 1.116 1.116 424 1HG GLU 51 1HG GLU 51 28.163 2.002 2.002 425 2HG GLU 51 2HG GLU 51 26.930 2.832 2.832 426 H LYS 52 H LYS 52 23.266 -0.046 -0.046 427 HA LYS 52 HA LYS 52 23.421 -2.241 -2.241 428 1HB LYS 52 1HB LYS 52 21.069 -0.490 -0.490 429 2HB LYS 52 2HB LYS 52 20.879 -1.809 -1.809 430 1HG LYS 52 1HG LYS 52 22.668 0.634 0.634 431 2HG LYS 52 2HG LYS 52 20.982 0.492 0.492 432 1HD LYS 52 1HD LYS 52 21.524 -1.557 -1.557 433 2HD LYS 52 2HD LYS 52 23.231 -1.382 -1.382 434 1HE LYS 52 1HE LYS 52 23.257 0.933 0.933 435 2HE LYS 52 2HE LYS 52 21.552 0.747 0.747 436 1HZ LYS 52 2HZ LYS 52 22.167 -1.188 -1.188 437 2HZ LYS 52 3HZ LYS 52 23.759 -1.015 -1.015 438 3HZ LYS 52 1HZ LYS 52 23.002 0.153 0.153 439 H LEU 53 H LEU 53 23.379 -2.293 -2.293 440 HA LEU 53 HA LEU 53 22.297 -3.524 -3.524 441 1HB LEU 53 1HB LEU 53 22.812 -5.692 -5.692 442 2HB LEU 53 2HB LEU 53 22.686 -5.810 -5.810 443 HG LEU 53 HG LEU 53 24.927 -4.249 -4.249 444 1HD1 LEU 53 1HD1 LEU 53 25.077 -6.663 -6.663 445 2HD1 LEU 53 2HD1 LEU 53 25.014 -7.115 -7.115 446 3HD1 LEU 53 3HD1 LEU 53 26.399 -6.191 -6.191 447 1HD2 LEU 53 3HD2 LEU 53 24.519 -3.493 -3.493 448 2HD2 LEU 53 1HD2 LEU 53 26.073 -4.328 -4.328 449 3HD2 LEU 53 2HD2 LEU 53 24.677 -5.168 -5.168 450 H LYS 54 H LYS 54 20.252 -2.261 -2.261 451 HA LYS 54 HA LYS 54 17.949 -2.181 -2.181 452 1HB LYS 54 1HB LYS 54 17.735 -5.224 -5.224 453 2HB LYS 54 2HB LYS 54 16.396 -4.102 -4.102 454 1HG LYS 54 1HG LYS 54 17.371 -3.230 -3.230 455 2HG LYS 54 2HG LYS 54 18.612 -4.471 -4.471 456 1HD LYS 54 1HD LYS 54 15.565 -5.033 -5.033 457 2HD LYS 54 2HD LYS 54 16.628 -4.947 -4.947 458 1HE LYS 54 1HE LYS 54 16.428 -7.256 -7.256 459 2HE LYS 54 2HE LYS 54 18.024 -6.895 -6.895 460 1HZ LYS 54 2HZ LYS 54 15.535 -7.262 -7.262 461 2HZ LYS 54 3HZ LYS 54 16.764 -8.356 -8.356 462 3HZ LYS 54 1HZ LYS 54 17.022 -6.926 -6.926 463 H ILE 55 H ILE 55 17.866 -1.017 -1.017 464 HA ILE 55 HA ILE 55 18.217 -2.131 -2.131 465 HB ILE 55 HB ILE 55 18.797 0.129 0.129 466 1HG1 ILE 55 1HG1 ILE 55 18.666 -0.538 -0.538 467 2HG1 ILE 55 2HG1 ILE 55 18.629 1.156 1.156 468 1HG2 ILE 55 2HG2 ILE 55 16.887 0.899 0.899 469 2HG2 ILE 55 3HG2 ILE 55 15.854 0.986 0.986 470 3HG2 ILE 55 1HG2 ILE 55 17.276 2.046 2.046 471 1HD1 ILE 55 1HD1 ILE 55 16.168 1.291 1.291 472 2HD1 ILE 55 2HD1 ILE 55 16.152 -0.452 -0.452 473 3HD1 ILE 55 3HD1 ILE 55 17.114 0.665 0.665 474 H ASP 56 H ASP 56 15.114 -1.202 -1.202 475 HA ASP 56 HA ASP 56 13.760 -3.335 -3.335 476 1HB ASP 56 1HB ASP 56 11.886 -1.981 -1.981 477 2HB ASP 56 2HB ASP 56 13.418 -1.671 -1.671 478 H SER 57 H SER 57 11.939 -0.869 -0.869 479 HA SER 57 HA SER 57 11.846 -2.625 -2.625 480 1HB SER 57 1HB SER 57 9.373 -2.764 -2.764 481 2HB SER 57 2HB SER 57 10.029 -3.617 -3.617 482 HG SER 57 HG SER 57 9.534 -1.771 -1.771 Start of MODEL 18 1 1H THR 1 1H THR 1 -41.067 -1.062 -1.062 2 2H THR 1 2H THR 1 -41.804 0.170 0.170 3 3H THR 1 3H THR 1 -42.425 -0.357 -0.357 4 HA THR 1 HA THR 1 -42.906 -2.461 -2.461 5 HB THR 1 HB THR 1 -44.651 -0.762 -0.762 6 HG1 THR 1 HG1 THR 1 -45.028 -2.878 -2.878 7 1HG2 THR 1 3HG2 THR 1 -43.906 0.897 0.897 8 2HG2 THR 1 1HG2 THR 1 -44.186 -0.313 -0.313 9 3HG2 THR 1 2HG2 THR 1 -45.549 0.299 0.299 10 HA PRO 2 HA PRO 2 -41.585 -2.985 -2.985 11 1HB PRO 2 1HB PRO 2 -38.885 -1.560 -1.560 12 2HB PRO 2 2HB PRO 2 -40.144 -1.493 -1.493 13 1HG PRO 2 1HG PRO 2 -39.514 0.597 0.597 14 2HG PRO 2 2HG PRO 2 -41.123 0.425 0.425 15 1HD PRO 2 1HD PRO 2 -40.230 -0.228 -0.228 16 2HD PRO 2 2HD PRO 2 -41.817 0.298 0.298 17 H ASP 3 H ASP 3 -40.394 -4.742 -4.742 18 HA ASP 3 HA ASP 3 -39.175 -6.240 -6.240 19 1HB ASP 3 1HB ASP 3 -40.795 -7.217 -7.217 20 2HB ASP 3 2HB ASP 3 -39.594 -7.072 -7.072 21 H VAL 4 H VAL 4 -37.200 -6.419 -6.419 22 HA VAL 4 HA VAL 4 -35.051 -5.076 -5.076 23 HB VAL 4 HB VAL 4 -35.287 -4.760 -4.760 24 1HG1 VAL 4 2HG1 VAL 4 -35.893 -7.068 -7.068 25 2HG1 VAL 4 3HG1 VAL 4 -34.240 -7.628 -7.628 26 3HG1 VAL 4 1HG1 VAL 4 -34.528 -6.399 -6.399 27 1HG2 VAL 4 2HG2 VAL 4 -33.062 -4.324 -4.324 28 2HG2 VAL 4 3HG2 VAL 4 -33.013 -4.584 -4.584 29 3HG2 VAL 4 1HG2 VAL 4 -32.489 -5.873 -5.873 30 H SER 5 H SER 5 -32.866 -6.187 -6.187 31 HA SER 5 HA SER 5 -31.521 -7.224 -7.224 32 1HB SER 5 1HB SER 5 -32.092 -9.370 -9.370 33 2HB SER 5 2HB SER 5 -33.247 -9.761 -9.761 34 HG SER 5 HG SER 5 -31.501 -9.611 -9.611 35 H SER 6 H SER 6 -34.325 -6.284 -6.284 36 HA SER 6 HA SER 6 -33.316 -5.447 -5.447 37 1HB SER 6 1HB SER 6 -34.795 -6.570 -6.570 38 2HB SER 6 2HB SER 6 -33.812 -7.768 -7.768 39 HG SER 6 HG SER 6 -35.959 -8.383 -8.383 40 H ALA 7 H ALA 7 -34.174 -3.911 -3.911 41 HA ALA 7 HA ALA 7 -35.895 -2.121 -2.121 42 1HB ALA 7 2HB ALA 7 -37.912 -3.439 -3.439 43 2HB ALA 7 3HB ALA 7 -37.463 -3.171 -3.171 44 3HB ALA 7 1HB ALA 7 -37.898 -1.797 -1.797 45 H LEU 8 H LEU 8 -35.526 -2.757 -2.757 46 HA LEU 8 HA LEU 8 -34.034 -0.227 -0.227 47 1HB LEU 8 1HB LEU 8 -34.928 -2.669 -2.669 48 2HB LEU 8 2HB LEU 8 -33.605 -1.765 -1.765 49 HG LEU 8 HG LEU 8 -35.608 -1.095 -1.095 50 1HD1 LEU 8 1HD1 LEU 8 -33.851 0.677 0.677 51 2HD1 LEU 8 2HD1 LEU 8 -34.725 1.287 1.287 52 3HD1 LEU 8 3HD1 LEU 8 -35.485 1.351 1.351 53 1HD2 LEU 8 3HD2 LEU 8 -37.306 -1.580 -1.580 54 2HD2 LEU 8 1HD2 LEU 8 -37.544 0.022 0.022 55 3HD2 LEU 8 2HD2 LEU 8 -36.818 -0.119 -0.119 56 H ASP 9 H ASP 9 -33.044 -3.085 -3.085 57 HA ASP 9 HA ASP 9 -30.311 -3.408 -3.408 58 1HB ASP 9 1HB ASP 9 -31.665 -4.943 -4.943 59 2HB ASP 9 2HB ASP 9 -31.393 -3.829 -3.829 60 H LYS 10 H LYS 10 -31.538 -1.263 -1.263 61 HA LYS 10 HA LYS 10 -28.953 0.019 0.019 62 1HB LYS 10 1HB LYS 10 -31.851 0.936 0.936 63 2HB LYS 10 2HB LYS 10 -30.464 1.892 1.892 64 1HG LYS 10 1HG LYS 10 -31.133 0.785 0.785 65 2HG LYS 10 2HG LYS 10 -29.580 0.138 0.138 66 1HD LYS 10 1HD LYS 10 -30.974 -1.626 -1.626 67 2HD LYS 10 2HD LYS 10 -30.635 -1.982 -1.982 68 1HE LYS 10 1HE LYS 10 -32.962 -1.161 -1.161 69 2HE LYS 10 2HE LYS 10 -33.285 -0.745 -0.745 70 1HZ LYS 10 3HZ LYS 10 -32.993 -3.103 -3.103 71 2HZ LYS 10 1HZ LYS 10 -32.688 -3.486 -3.486 72 3HZ LYS 10 2HZ LYS 10 -34.175 -2.917 -2.917 73 H LEU 11 H LEU 11 -31.565 0.957 0.957 74 HA LEU 11 HA LEU 11 -30.330 3.480 3.480 75 1HB LEU 11 1HB LEU 11 -32.394 1.701 1.701 76 2HB LEU 11 2HB LEU 11 -31.827 3.207 3.207 77 HG LEU 11 HG LEU 11 -33.954 3.560 3.560 78 1HD1 LEU 11 2HD1 LEU 11 -32.347 5.472 5.472 79 2HD1 LEU 11 3HD1 LEU 11 -31.968 4.987 4.987 80 3HD1 LEU 11 1HD1 LEU 11 -33.611 5.520 5.520 81 1HD2 LEU 11 3HD2 LEU 11 -34.058 1.745 1.745 82 2HD2 LEU 11 1HD2 LEU 11 -34.655 3.303 3.303 83 3HD2 LEU 11 2HD2 LEU 11 -33.050 2.725 2.725 84 H LYS 12 H LYS 12 -30.201 0.237 0.237 85 HA LYS 12 HA LYS 12 -28.329 1.166 1.166 86 1HB LYS 12 1HB LYS 12 -28.149 -0.984 -0.984 87 2HB LYS 12 2HB LYS 12 -29.815 -0.758 -0.758 88 1HG LYS 12 1HG LYS 12 -29.356 -2.189 -2.189 89 2HG LYS 12 2HG LYS 12 -27.712 -2.430 -2.430 90 1HD LYS 12 1HD LYS 12 -28.707 -3.374 -3.374 91 2HD LYS 12 2HD LYS 12 -30.293 -3.333 -3.333 92 1HE LYS 12 1HE LYS 12 -27.858 -4.918 -4.918 93 2HE LYS 12 2HE LYS 12 -29.077 -5.590 -5.590 94 1HZ LYS 12 1HZ LYS 12 -30.767 -5.178 -5.178 95 2HZ LYS 12 2HZ LYS 12 -29.638 -4.545 -4.545 96 3HZ LYS 12 3HZ LYS 12 -29.557 -6.136 -6.136 97 H GLU 13 H GLU 13 -27.655 -0.475 -0.475 98 HA GLU 13 HA GLU 13 -24.687 -0.099 -0.099 99 1HB GLU 13 1HB GLU 13 -25.629 -2.280 -2.280 100 2HB GLU 13 2HB GLU 13 -26.183 -1.423 -1.423 101 1HG GLU 13 1HG GLU 13 -24.150 -2.623 -2.623 102 2HG GLU 13 2HG GLU 13 -23.803 -0.918 -0.918 103 H PHE 14 H PHE 14 -24.984 2.164 2.164 104 HA PHE 14 HA PHE 14 -24.385 3.580 3.580 105 1HB PHE 14 1HB PHE 14 -26.833 3.683 3.683 106 2HB PHE 14 2HB PHE 14 -27.025 4.373 4.373 107 HD1 PHE 14 HD1 PHE 14 -25.646 4.990 4.990 108 HD2 PHE 14 HD2 PHE 14 -26.739 6.812 6.812 109 HE1 PHE 14 HE1 PHE 14 -25.425 7.224 7.224 110 HE2 PHE 14 HE2 PHE 14 -26.513 9.036 9.036 111 HZ PHE 14 HZ PHE 14 -25.854 9.248 9.248 112 H GLY 15 H GLY 15 -25.240 4.112 4.112 113 1HA GLY 15 1HA GLY 15 -23.012 6.067 6.067 114 2HA GLY 15 2HA GLY 15 -23.928 5.248 5.248 115 H ASN 16 H ASN 16 -23.557 2.552 2.552 116 HA ASN 16 HA ASN 16 -20.815 1.852 1.852 117 1HB ASN 16 1HB ASN 16 -22.915 0.418 0.418 118 2HB ASN 16 2HB ASN 16 -22.920 0.074 0.074 119 1HD2 ASN 16 1HD2 ASN 16 -20.224 -1.891 -1.891 120 2HD2 ASN 16 2HD2 ASN 16 -21.152 -0.424 -0.424 121 H THR 17 H THR 17 -22.267 2.216 2.216 122 HA THR 17 HA THR 17 -19.982 1.215 1.215 123 HB THR 17 HB THR 17 -22.071 3.327 3.327 124 HG1 THR 17 HG1 THR 17 -22.892 1.305 1.305 125 1HG2 THR 17 1HG2 THR 17 -20.256 1.570 1.570 126 2HG2 THR 17 2HG2 THR 17 -21.593 2.604 2.604 127 3HG2 THR 17 3HG2 THR 17 -20.153 3.345 3.345 128 H LEU 18 H LEU 18 -20.799 4.605 4.605 129 HA LEU 18 HA LEU 18 -18.047 5.522 5.522 130 1HB LEU 18 1HB LEU 18 -18.640 7.758 7.758 131 2HB LEU 18 2HB LEU 18 -19.866 6.998 6.998 132 HG LEU 18 HG LEU 18 -21.278 6.752 6.752 133 1HD1 LEU 18 3HD1 LEU 18 -19.191 8.794 8.794 134 2HD1 LEU 18 1HD1 LEU 18 -20.772 8.485 8.485 135 3HD1 LEU 18 2HD1 LEU 18 -19.557 7.206 7.206 136 1HD2 LEU 18 3HD2 LEU 18 -21.808 8.367 8.367 137 2HD2 LEU 18 1HD2 LEU 18 -22.136 9.078 9.078 138 3HD2 LEU 18 2HD2 LEU 18 -20.673 9.555 9.555 139 H GLU 19 H GLU 19 -18.721 3.749 3.749 140 HA GLU 19 HA GLU 19 -16.828 4.954 4.954 141 1HB GLU 19 1HB GLU 19 -18.881 3.789 3.789 142 2HB GLU 19 2HB GLU 19 -18.289 2.284 2.284 143 1HG GLU 19 1HG GLU 19 -16.842 3.940 3.940 144 2HG GLU 19 2HG GLU 19 -18.004 2.676 2.676 145 H ASP 20 H ASP 20 -17.065 1.882 1.882 146 HA ASP 20 HA ASP 20 -14.196 1.296 1.296 147 1HB ASP 20 1HB ASP 20 -14.587 -0.446 -0.446 148 2HB ASP 20 2HB ASP 20 -15.801 -0.476 -0.476 149 H LYS 21 H LYS 21 -16.118 2.925 2.925 150 HA LYS 21 HA LYS 21 -14.012 3.434 3.434 151 1HB LYS 21 1HB LYS 21 -16.584 3.855 3.855 152 2HB LYS 21 2HB LYS 21 -16.310 5.397 5.397 153 1HG LYS 21 1HG LYS 21 -14.695 6.043 6.043 154 2HG LYS 21 2HG LYS 21 -14.966 4.480 4.480 155 1HD LYS 21 1HD LYS 21 -17.421 5.009 5.009 156 2HD LYS 21 2HD LYS 21 -17.194 6.564 6.564 157 1HE LYS 21 1HE LYS 21 -15.817 5.725 5.725 158 2HE LYS 21 2HE LYS 21 -17.336 6.614 6.614 159 1HZ LYS 21 1HZ LYS 21 -16.168 8.418 8.418 160 2HZ LYS 21 2HZ LYS 21 -14.736 7.600 7.600 161 3HZ LYS 21 3HZ LYS 21 -15.475 8.111 8.111 162 H ALA 22 H ALA 22 -14.976 5.581 5.581 163 HA ALA 22 HA ALA 22 -12.891 7.601 7.601 164 1HB ALA 22 2HB ALA 22 -14.910 8.094 8.094 165 2HB ALA 22 3HB ALA 22 -14.407 6.922 6.922 166 3HB ALA 22 1HB ALA 22 -13.441 8.389 8.389 167 H ARG 23 H ARG 23 -12.911 4.761 4.761 168 HA ARG 23 HA ARG 23 -10.272 5.175 5.175 169 1HB ARG 23 1HB ARG 23 -12.074 3.712 3.712 170 2HB ARG 23 2HB ARG 23 -11.804 2.517 2.517 171 1HG ARG 23 1HG ARG 23 -9.546 3.430 3.430 172 2HG ARG 23 2HG ARG 23 -10.771 2.290 2.290 173 1HD ARG 23 1HD ARG 23 -10.172 0.660 0.660 174 2HD ARG 23 2HD ARG 23 -8.981 1.773 1.773 175 HE ARG 23 HE ARG 23 -8.336 1.290 1.290 176 1HH1 ARG 23 1HH1 ARG 23 -8.176 -0.304 -0.304 177 2HH1 ARG 23 2HH1 ARG 23 -6.765 -1.326 -1.326 178 1HH2 ARG 23 1HH2 ARG 23 -6.732 0.076 0.076 179 2HH2 ARG 23 2HH2 ARG 23 -6.004 -1.124 -1.124 180 H GLU 24 H GLU 24 -11.136 3.087 3.087 181 HA GLU 24 HA GLU 24 -8.343 2.488 2.488 182 1HB GLU 24 1HB GLU 24 -10.970 2.298 2.298 183 2HB GLU 24 2HB GLU 24 -9.418 2.020 2.020 184 1HG GLU 24 1HG GLU 24 -10.091 -0.127 -0.127 185 2HG GLU 24 2HG GLU 24 -8.884 0.206 0.206 186 H LEU 25 H LEU 25 -10.353 5.324 5.324 187 HA LEU 25 HA LEU 25 -8.541 6.453 6.453 188 1HB LEU 25 2HB LEU 25 -10.997 7.112 7.112 189 2HB LEU 25 1HB LEU 25 -10.500 7.953 7.953 190 HG LEU 25 HG LEU 25 -8.982 9.430 9.430 191 1HD1 LEU 25 3HD1 LEU 25 -10.539 8.078 8.078 192 2HD1 LEU 25 1HD1 LEU 25 -9.502 9.518 9.518 193 3HD1 LEU 25 2HD1 LEU 25 -8.786 7.959 7.959 194 1HD2 LEU 25 3HD2 LEU 25 -11.205 10.210 10.210 195 2HD2 LEU 25 1HD2 LEU 25 -10.882 10.846 10.846 196 3HD2 LEU 25 2HD2 LEU 25 -12.016 9.487 9.487 197 H ILE 26 H ILE 26 -8.598 6.736 6.736 198 HA ILE 26 HA ILE 26 -6.395 8.679 8.679 199 HB ILE 26 HB ILE 26 -6.940 6.610 6.610 200 1HG1 ILE 26 1HG1 ILE 26 -9.105 7.491 7.491 201 2HG1 ILE 26 2HG1 ILE 26 -8.408 8.202 8.202 202 1HG2 ILE 26 2HG2 ILE 26 -4.846 7.908 7.908 203 2HG2 ILE 26 3HG2 ILE 26 -5.731 9.442 9.442 204 3HG2 ILE 26 1HG2 ILE 26 -6.038 8.349 8.349 205 1HD1 ILE 26 3HD1 ILE 26 -8.030 10.386 10.386 206 2HD1 ILE 26 1HD1 ILE 26 -8.780 9.648 9.648 207 3HD1 ILE 26 2HD1 ILE 26 -9.739 9.885 9.885 208 H SER 27 H SER 27 -6.317 5.059 5.059 209 HA SER 27 HA SER 27 -3.416 4.815 4.815 210 1HB SER 27 1HB SER 27 -3.690 2.474 2.474 211 2HB SER 27 2HB SER 27 -4.834 2.923 2.923 212 HG SER 27 HG SER 27 -5.780 1.717 1.717 213 H ARG 28 H ARG 28 -5.553 4.928 4.928 214 HA ARG 28 HA ARG 28 -3.510 4.685 4.685 215 1HB ARG 28 1HB ARG 28 -5.972 4.500 4.500 216 2HB ARG 28 2HB ARG 28 -6.184 6.212 6.212 217 1HG ARG 28 1HG ARG 28 -4.795 6.779 6.779 218 2HG ARG 28 2HG ARG 28 -4.586 5.056 5.056 219 1HD ARG 28 1HD ARG 28 -7.059 4.775 4.775 220 2HD ARG 28 2HD ARG 28 -7.361 6.438 6.438 221 HE ARG 28 HE ARG 28 -6.237 5.475 5.475 222 1HH1 ARG 28 1HH1 ARG 28 -6.951 8.331 8.331 223 2HH1 ARG 28 2HH1 ARG 28 -6.879 9.404 9.404 224 1HH2 ARG 28 1HH2 ARG 28 -6.182 6.791 6.791 225 2HH2 ARG 28 2HH2 ARG 28 -6.474 8.588 8.588 226 H ILE 29 H ILE 29 -4.874 7.760 7.760 227 HA ILE 29 HA ILE 29 -3.006 9.545 9.545 228 HB ILE 29 HB ILE 29 -5.079 9.708 9.708 229 1HG1 ILE 29 1HG1 ILE 29 -5.928 11.603 11.603 230 2HG1 ILE 29 2HG1 ILE 29 -4.549 11.456 11.456 231 1HG2 ILE 29 3HG2 ILE 29 -3.076 12.007 12.007 232 2HG2 ILE 29 1HG2 ILE 29 -4.648 12.096 12.096 233 3HG2 ILE 29 2HG2 ILE 29 -3.381 11.031 11.031 234 1HD1 ILE 29 3HD1 ILE 29 -6.730 9.305 9.305 235 2HD1 ILE 29 1HD1 ILE 29 -6.636 10.461 10.461 236 3HD1 ILE 29 2HD1 ILE 29 -5.387 9.211 9.211 237 H LYS 30 H LYS 30 -2.818 8.508 8.508 238 HA LYS 30 HA LYS 30 -0.135 9.491 9.491 239 1HB LYS 30 1HB LYS 30 -1.514 7.173 7.173 240 2HB LYS 30 2HB LYS 30 -0.102 8.017 8.017 241 1HG LYS 30 1HG LYS 30 -2.833 9.375 9.375 242 2HG LYS 30 2HG LYS 30 -2.341 8.620 8.620 243 1HD LYS 30 1HD LYS 30 -0.747 10.913 10.913 244 2HD LYS 30 2HD LYS 30 -2.099 11.171 11.171 245 1HE LYS 30 1HE LYS 30 -0.872 9.838 9.838 246 2HE LYS 30 2HE LYS 30 0.511 9.665 9.665 247 1HZ LYS 30 3HZ LYS 30 -0.600 12.259 12.259 248 2HZ LYS 30 1HZ LYS 30 0.788 11.540 11.540 249 3HZ LYS 30 2HZ LYS 30 0.693 12.101 12.101 250 H GLN 31 H GLN 31 -0.749 7.059 7.059 251 HA GLN 31 HA GLN 31 1.897 5.586 5.586 252 1HB GLN 31 1HB GLN 31 -0.532 4.726 4.726 253 2HB GLN 31 2HB GLN 31 1.048 4.050 4.050 254 1HG GLN 31 1HG GLN 31 1.307 3.206 3.206 255 2HG GLN 31 2HG GLN 31 -0.219 3.916 3.916 256 1HE2 GLN 31 2HE2 GLN 31 -0.295 0.339 0.339 257 2HE2 GLN 31 1HE2 GLN 31 1.260 1.273 1.273 258 H SER 32 H SER 32 0.619 8.109 8.109 259 HA SER 32 HA SER 32 3.332 8.399 8.399 260 1HB SER 32 1HB SER 32 0.746 8.876 8.876 261 2HB SER 32 2HB SER 32 2.358 9.390 9.390 262 HG SER 32 HG SER 32 1.786 7.398 7.398 263 H GLU 33 H GLU 33 3.635 9.680 9.680 264 HA GLU 33 HA GLU 33 3.078 12.523 12.523 265 1HB GLU 33 1HB GLU 33 1.930 11.271 11.271 266 2HB GLU 33 2HB GLU 33 2.557 12.920 12.920 267 1HG GLU 33 1HG GLU 33 0.964 13.579 13.579 268 2HG GLU 33 2HG GLU 33 0.290 11.953 11.953 269 H LEU 34 H LEU 34 5.233 11.530 11.530 270 HA LEU 34 HA LEU 34 7.328 10.844 10.844 271 1HB LEU 34 1HB LEU 34 7.931 12.907 12.907 272 2HB LEU 34 2HB LEU 34 7.167 13.331 13.331 273 HG LEU 34 HG LEU 34 9.654 13.631 13.631 274 1HD1 LEU 34 3HD1 LEU 34 8.496 12.039 12.039 275 2HD1 LEU 34 1HD1 LEU 34 10.062 12.878 12.878 276 3HD1 LEU 34 2HD1 LEU 34 8.545 13.779 13.779 277 1HD2 LEU 34 3HD2 LEU 34 10.347 11.543 11.543 278 2HD2 LEU 34 1HD2 LEU 34 11.245 11.810 11.810 279 3HD2 LEU 34 2HD2 LEU 34 9.965 10.584 10.584 280 H SER 35 H SER 35 5.833 9.535 9.535 281 HA SER 35 HA SER 35 4.360 8.849 8.849 282 1HB SER 35 1HB SER 35 4.631 6.966 6.966 283 2HB SER 35 2HB SER 35 6.082 6.473 6.473 284 HG SER 35 HG SER 35 3.455 6.707 6.707 285 H ALA 36 H ALA 36 3.421 9.313 9.313 286 HA ALA 36 HA ALA 36 4.807 10.313 10.313 287 1HB ALA 36 2HB ALA 36 3.241 11.648 11.648 288 2HB ALA 36 3HB ALA 36 1.922 10.480 10.480 289 3HB ALA 36 1HB ALA 36 2.566 11.422 11.422 290 H LYS 37 H LYS 37 2.545 7.626 7.626 291 HA LYS 37 HA LYS 37 2.597 6.540 6.540 292 1HB LYS 37 1HB LYS 37 1.755 5.435 5.435 293 2HB LYS 37 2HB LYS 37 2.190 4.275 4.275 294 1HG LYS 37 1HG LYS 37 0.543 5.109 5.109 295 2HG LYS 37 2HG LYS 37 0.098 6.450 6.450 296 1HD LYS 37 1HD LYS 37 -0.782 4.861 4.861 297 2HD LYS 37 2HD LYS 37 -0.202 3.490 3.490 298 1HE LYS 37 1HE LYS 37 -2.576 3.626 3.626 299 2HE LYS 37 2HE LYS 37 -1.790 4.047 4.047 300 1HZ LYS 37 2HZ LYS 37 -2.944 5.995 5.995 301 2HZ LYS 37 3HZ LYS 37 -3.617 5.543 5.543 302 3HZ LYS 37 1HZ LYS 37 -2.209 6.407 6.407 303 H MET 38 H MET 38 4.761 6.073 6.073 304 HA MET 38 HA MET 38 6.486 4.199 4.199 305 1HB MET 38 1HB MET 38 7.851 3.963 3.963 306 2HB MET 38 2HB MET 38 6.326 4.400 4.400 307 1HG MET 38 1HG MET 38 7.223 6.694 6.694 308 2HG MET 38 2HG MET 38 8.693 6.365 6.365 309 1HE MET 38 2HE MET 38 8.985 7.425 7.425 310 2HE MET 38 1HE MET 38 10.394 6.813 6.813 311 3HE MET 38 3HE MET 38 10.121 6.271 6.271 312 H ARG 39 H ARG 39 6.237 7.528 7.528 313 HA ARG 39 HA ARG 39 9.034 8.254 8.254 314 1HB ARG 39 1HB ARG 39 6.924 9.881 9.881 315 2HB ARG 39 2HB ARG 39 6.999 9.812 9.812 316 1HG ARG 39 1HG ARG 39 8.320 11.663 11.663 317 2HG ARG 39 2HG ARG 39 9.619 10.502 10.502 318 1HD ARG 39 1HD ARG 39 8.137 11.892 11.892 319 2HD ARG 39 2HD ARG 39 9.771 12.199 12.199 320 HE ARG 39 HE ARG 39 8.805 9.790 9.790 321 1HH1 ARG 39 1HH1 ARG 39 11.609 11.360 11.360 322 2HH1 ARG 39 2HH1 ARG 39 12.731 10.407 10.407 323 1HH2 ARG 39 1HH2 ARG 39 10.146 8.808 8.808 324 2HH2 ARG 39 2HH2 ARG 39 11.955 9.058 9.058 325 H GLU 40 H GLU 40 7.073 7.384 7.384 326 HA GLU 40 HA GLU 40 9.267 7.668 7.668 327 1HB GLU 40 1HB GLU 40 6.735 5.991 5.991 328 2HB GLU 40 2HB GLU 40 7.888 6.173 6.173 329 1HG GLU 40 1HG GLU 40 7.521 8.668 8.668 330 2HG GLU 40 2HG GLU 40 6.351 8.526 8.526 331 H TRP 41 H TRP 41 8.097 4.770 4.770 332 HA TRP 41 HA TRP 41 10.232 2.926 2.926 333 1HB TRP 41 1HB TRP 41 8.062 2.214 2.214 334 2HB TRP 41 2HB TRP 41 8.436 3.008 3.008 335 HD1 TRP 41 HD1 TRP 41 9.064 -0.280 -0.280 336 HE1 TRP 41 HE1 TRP 41 10.291 -2.057 -2.057 337 HE3 TRP 41 HE3 TRP 41 10.300 2.941 2.941 338 HZ2 TRP 41 HZ2 TRP 41 11.600 -1.878 -1.878 339 HZ3 TRP 41 HZ3 TRP 41 11.570 2.104 2.104 340 HH2 TRP 41 HH2 TRP 41 12.208 -0.271 -0.271 341 H PHE 42 H PHE 42 10.192 5.389 5.389 342 HA PHE 42 HA PHE 42 12.553 4.432 4.432 343 1HB PHE 42 1HB PHE 42 10.849 6.295 6.295 344 2HB PHE 42 2HB PHE 42 11.790 7.416 7.416 345 HD1 PHE 42 HD1 PHE 42 11.845 4.963 4.963 346 HD2 PHE 42 HD2 PHE 42 14.048 8.089 8.089 347 HE1 PHE 42 HE1 PHE 42 13.406 5.075 5.075 348 HE2 PHE 42 HE2 PHE 42 15.602 8.184 8.184 349 HZ PHE 42 HZ PHE 42 15.283 6.682 6.682 350 H SER 43 H SER 43 12.210 6.661 6.661 351 HA SER 43 HA SER 43 15.104 7.404 7.404 352 1HB SER 43 1HB SER 43 14.502 8.460 8.460 353 2HB SER 43 2HB SER 43 13.440 8.990 8.990 354 HG SER 43 HG SER 43 12.323 8.479 8.479 355 H GLU 44 H GLU 44 13.005 4.947 4.947 356 HA GLU 44 HA GLU 44 15.005 3.806 3.806 357 1HB GLU 44 1HB GLU 44 12.440 2.640 2.640 358 2HB GLU 44 2HB GLU 44 13.406 1.756 1.756 359 1HG GLU 44 1HG GLU 44 13.044 3.466 3.466 360 2HG GLU 44 2HG GLU 44 12.180 4.510 4.510 361 H THR 45 H THR 45 13.985 2.722 2.722 362 HA THR 45 HA THR 45 15.942 0.482 0.482 363 HB THR 45 HB THR 45 14.023 1.371 1.371 364 HG1 THR 45 HG1 THR 45 12.780 -0.310 -0.310 365 1HG2 THR 45 3HG2 THR 45 15.462 -1.340 -1.340 366 2HG2 THR 45 1HG2 THR 45 14.176 -1.002 -1.002 367 3HG2 THR 45 2HG2 THR 45 15.742 -0.183 -0.183 368 H PHE 46 H PHE 46 15.714 3.510 3.510 369 HA PHE 46 HA PHE 46 17.788 2.840 2.840 370 1HB PHE 46 1HB PHE 46 15.980 4.612 4.612 371 2HB PHE 46 2HB PHE 46 16.859 5.658 5.658 372 HD1 PHE 46 HD2 PHE 46 17.254 3.723 3.723 373 HD2 PHE 46 HD1 PHE 46 18.585 7.091 7.091 374 HE1 PHE 46 HE2 PHE 46 18.542 4.554 4.554 375 HE2 PHE 46 HE1 PHE 46 19.853 7.919 7.919 376 HZ PHE 46 HZ PHE 46 19.841 6.650 6.650 377 H GLN 47 H GLN 47 18.170 4.575 4.575 378 HA GLN 47 HA GLN 47 20.962 5.237 5.237 379 1HB GLN 47 1HB GLN 47 21.045 5.110 5.110 380 2HB GLN 47 2HB GLN 47 19.693 6.033 6.033 381 1HG GLN 47 1HG GLN 47 18.118 4.139 4.139 382 2HG GLN 47 2HG GLN 47 19.437 3.123 3.123 383 1HE2 GLN 47 2HE2 GLN 47 19.414 4.529 4.529 384 2HE2 GLN 47 1HE2 GLN 47 20.135 3.327 3.327 385 H LYS 48 H LYS 48 19.669 1.969 1.969 386 HA LYS 48 HA LYS 48 22.351 0.734 0.734 387 1HB LYS 48 1HB LYS 48 19.698 -0.683 -0.683 388 2HB LYS 48 2HB LYS 48 21.219 -1.462 -1.462 389 1HG LYS 48 1HG LYS 48 20.489 -1.612 -1.612 390 2HG LYS 48 2HG LYS 48 21.133 0.000 0.000 391 1HD LYS 48 1HD LYS 48 18.996 0.141 0.141 392 2HD LYS 48 2HD LYS 48 18.788 0.924 0.924 393 1HE LYS 48 1HE LYS 48 16.803 -0.500 -0.500 394 2HE LYS 48 2HE LYS 48 17.742 -1.303 -1.303 395 1HZ LYS 48 3HZ LYS 48 17.724 -2.023 -2.023 396 2HZ LYS 48 1HZ LYS 48 16.968 -2.844 -2.844 397 3HZ LYS 48 2HZ LYS 48 18.618 -2.796 -2.796 398 H VAL 49 H VAL 49 20.157 1.052 1.052 399 HA VAL 49 HA VAL 49 21.808 -0.408 -0.408 400 HB VAL 49 HB VAL 49 20.082 1.970 1.970 401 1HG1 VAL 49 3HG1 VAL 49 21.481 1.073 1.073 402 2HG1 VAL 49 1HG1 VAL 49 20.821 -0.558 -0.558 403 3HG1 VAL 49 2HG1 VAL 49 19.768 0.765 0.765 404 1HG2 VAL 49 2HG2 VAL 49 18.568 0.464 0.464 405 2HG2 VAL 49 3HG2 VAL 49 18.135 0.406 0.406 406 3HG2 VAL 49 1HG2 VAL 49 19.057 -0.936 -0.936 407 H LYS 50 H LYS 50 21.716 3.147 3.147 408 HA LYS 50 HA LYS 50 23.618 3.905 3.905 409 1HB LYS 50 1HB LYS 50 21.818 5.255 5.255 410 2HB LYS 50 2HB LYS 50 22.766 5.242 5.242 411 1HG LYS 50 1HG LYS 50 24.581 6.562 6.562 412 2HG LYS 50 2HG LYS 50 23.580 6.518 6.518 413 1HD LYS 50 1HD LYS 50 22.977 8.576 8.576 414 2HD LYS 50 2HD LYS 50 21.678 7.625 7.625 415 1HE LYS 50 1HE LYS 50 24.239 8.457 8.457 416 2HE LYS 50 2HE LYS 50 22.754 9.403 9.403 417 1HZ LYS 50 2HZ LYS 50 21.577 7.542 7.542 418 2HZ LYS 50 3HZ LYS 50 22.958 6.634 6.634 419 3HZ LYS 50 1HZ LYS 50 22.854 8.019 8.019 420 H GLU 51 H GLU 51 24.230 3.433 3.433 421 HA GLU 51 HA GLU 51 27.135 3.767 3.767 422 1HB GLU 51 1HB GLU 51 27.256 2.882 2.882 423 2HB GLU 51 2HB GLU 51 25.826 3.879 3.879 424 1HG GLU 51 1HG GLU 51 24.456 1.647 1.647 425 2HG GLU 51 2HG GLU 51 25.940 0.789 0.789 426 H LYS 52 H LYS 52 25.255 1.077 1.077 427 HA LYS 52 HA LYS 52 27.532 -0.907 -0.907 428 1HB LYS 52 1HB LYS 52 25.200 -1.677 -1.677 429 2HB LYS 52 2HB LYS 52 24.653 -1.160 -1.160 430 1HG LYS 52 1HG LYS 52 24.899 -3.533 -3.533 431 2HG LYS 52 2HG LYS 52 26.123 -2.878 -2.878 432 1HD LYS 52 1HD LYS 52 27.867 -3.187 -3.187 433 2HD LYS 52 2HD LYS 52 26.649 -3.819 -3.819 434 1HE LYS 52 1HE LYS 52 27.424 -5.108 -5.108 435 2HE LYS 52 2HE LYS 52 28.105 -5.571 -5.571 436 1HZ LYS 52 2HZ LYS 52 25.881 -6.225 -6.225 437 2HZ LYS 52 3HZ LYS 52 25.223 -5.796 -5.796 438 3HZ LYS 52 1HZ LYS 52 26.307 -7.042 -7.042 439 H LEU 53 H LEU 53 25.634 0.949 0.949 440 HA LEU 53 HA LEU 53 26.318 1.858 1.858 441 1HB LEU 53 1HB LEU 53 28.790 0.132 0.132 442 2HB LEU 53 2HB LEU 53 28.298 1.364 1.364 443 HG LEU 53 HG LEU 53 29.002 1.930 1.930 444 1HD1 LEU 53 1HD1 LEU 53 30.990 1.113 1.113 445 2HD1 LEU 53 2HD1 LEU 53 30.740 2.325 2.325 446 3HD1 LEU 53 3HD1 LEU 53 31.158 2.837 2.837 447 1HD2 LEU 53 2HD2 LEU 53 28.550 3.924 3.924 448 2HD2 LEU 53 3HD2 LEU 53 27.486 3.697 3.697 449 3HD2 LEU 53 1HD2 LEU 53 29.116 4.341 4.341 450 H LYS 54 H LYS 54 26.825 -1.681 -1.681 451 HA LYS 54 HA LYS 54 25.736 -3.444 -3.444 452 1HB LYS 54 1HB LYS 54 23.800 -1.575 -1.575 453 2HB LYS 54 2HB LYS 54 23.724 -3.317 -3.317 454 1HG LYS 54 1HG LYS 54 23.351 -1.403 -1.403 455 2HG LYS 54 2HG LYS 54 22.078 -2.177 -2.177 456 1HD LYS 54 1HD LYS 54 22.855 -4.450 -4.450 457 2HD LYS 54 2HD LYS 54 24.175 -3.720 -3.720 458 1HE LYS 54 1HE LYS 54 22.519 -2.481 -2.481 459 2HE LYS 54 2HE LYS 54 21.173 -3.170 -3.170 460 1HZ LYS 54 2HZ LYS 54 23.164 -4.745 -4.745 461 2HZ LYS 54 3HZ LYS 54 21.606 -4.430 -4.430 462 3HZ LYS 54 1HZ LYS 54 21.909 -5.391 -5.391 463 H ILE 55 H ILE 55 27.633 -3.864 -3.864 464 HA ILE 55 HA ILE 55 29.256 -4.170 -4.170 465 HB ILE 55 HB ILE 55 27.463 -2.948 -2.948 466 1HG1 ILE 55 1HG1 ILE 55 28.254 -5.888 -5.888 467 2HG1 ILE 55 2HG1 ILE 55 26.725 -5.177 -5.177 468 1HG2 ILE 55 2HG2 ILE 55 29.884 -2.631 -2.631 469 2HG2 ILE 55 3HG2 ILE 55 30.200 -4.358 -4.358 470 3HG2 ILE 55 1HG2 ILE 55 29.131 -3.835 -3.835 471 1HD1 ILE 55 2HD1 ILE 55 26.147 -4.703 -4.703 472 2HD1 ILE 55 3HD1 ILE 55 27.640 -5.559 -5.559 473 3HD1 ILE 55 1HD1 ILE 55 26.361 -6.436 -6.436 474 H ASP 56 H ASP 56 30.668 -2.953 -2.953 475 HA ASP 56 HA ASP 56 30.613 -0.089 -0.089 476 1HB ASP 56 1HB ASP 56 32.752 -0.148 -0.148 477 2HB ASP 56 2HB ASP 56 31.662 -1.371 -1.371 478 H SER 57 H SER 57 33.041 -1.840 -1.840 479 HA SER 57 HA SER 57 33.602 0.742 0.742 480 1HB SER 57 1HB SER 57 35.504 -0.724 -0.724 481 2HB SER 57 2HB SER 57 34.907 -2.037 -2.037 482 HG SER 57 HG SER 57 36.485 -0.766 -0.766
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