REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1nfa_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKDWQLPSHS GPYELRIEVQ PKSHHRAHYE TEGSRGAVKA SAGGHPIVQL DATA SEQUENCE HGYLENEPLM LQLFIGTADD RLLRPHAFYQ VHRITGKTVS TTSHEAILSN DATA SEQUENCE TKVLEIPLLP ENSMRAVIDC AGILKLRNSD IELRKGETDI GRKNTRVRLV DATA SEQUENCE FRVHVPQPSG RTLSLQVASN PIECSQRS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.711 4.480 0.385 0.000 0.227 1 M C 0.000 176.420 176.300 0.200 0.000 1.140 1 M CA 0.000 55.458 55.300 0.263 0.000 0.988 1 M CB 0.000 32.679 32.600 0.131 0.000 1.302 2 K N 1.704 122.212 120.400 0.181 0.000 2.007 2 K HA 0.263 4.588 4.320 0.010 0.000 0.251 2 K C -1.569 174.853 176.600 -0.297 0.000 0.799 2 K CA -0.578 55.729 56.287 0.033 0.000 0.656 2 K CB 1.775 34.405 32.500 0.218 0.000 1.646 2 K HN -0.173 8.213 8.250 0.226 0.000 0.479 3 D N 0.494 120.771 120.400 -0.204 0.000 2.943 3 D HA 0.341 4.613 4.640 -0.614 0.000 0.347 3 D C -0.155 176.002 176.300 -0.239 0.000 1.305 3 D CA -0.432 53.357 54.000 -0.353 0.000 0.870 3 D CB 0.084 40.782 40.800 -0.170 0.000 1.081 3 D HN 0.028 8.380 8.370 -0.030 0.000 0.492 4 W N -0.557 120.759 121.300 0.027 0.000 2.388 4 W HA -0.070 4.602 4.660 0.020 0.000 0.294 4 W C 0.059 176.591 176.519 0.022 0.000 1.212 4 W CA 0.633 57.990 57.345 0.021 0.000 1.271 4 W CB 0.323 29.793 29.460 0.017 0.000 1.126 4 W HN -0.351 7.436 8.180 -0.656 0.000 0.535 5 Q N -1.945 117.683 119.800 -0.286 0.000 3.943 5 Q HA -0.019 4.295 4.340 -0.043 0.000 0.143 5 Q C -2.368 173.560 176.000 -0.119 0.000 0.840 5 Q CA 0.027 55.819 55.803 -0.018 0.000 1.000 5 Q CB -0.329 28.558 28.738 0.248 0.000 1.524 5 Q HN -0.522 6.937 8.270 -1.351 0.000 0.534 6 L N 3.839 124.912 121.223 -0.249 0.000 2.387 6 L HA 0.435 4.729 4.340 -0.077 0.000 0.259 6 L C -1.479 175.335 176.870 -0.093 0.000 1.050 6 L CA -2.548 52.189 54.840 -0.171 0.000 0.922 6 L CB -0.000 41.891 42.059 -0.279 0.000 1.280 6 L HN 0.093 8.159 8.230 -0.273 0.000 0.449 7 P HA 0.230 4.628 4.420 -0.037 0.000 0.244 7 P C -1.215 176.024 177.300 -0.102 0.000 1.769 7 P CA 0.095 63.164 63.100 -0.052 0.000 1.102 7 P CB -1.133 30.554 31.700 -0.023 0.000 1.937 8 S N -0.052 115.529 115.700 -0.199 0.000 2.745 8 S HA 0.143 4.501 4.470 -0.187 0.000 0.232 8 S C -0.824 173.454 174.600 -0.536 0.000 0.804 8 S CA -0.363 57.647 58.200 -0.316 0.000 1.071 8 S CB 0.065 63.057 63.200 -0.346 0.000 1.480 8 S HN -0.059 8.114 8.310 -0.181 0.029 0.467 9 H N 0.774 119.813 119.070 -0.052 0.000 2.960 9 H HA 0.460 4.988 4.556 -0.047 0.000 0.338 9 H C -1.518 173.778 175.328 -0.054 0.000 1.261 9 H CA -1.323 54.692 56.048 -0.055 0.000 1.136 9 H CB 2.070 31.790 29.762 -0.070 0.000 1.875 9 H HN -0.066 8.176 8.280 -0.063 0.000 0.550 10 S N -0.236 115.529 115.700 0.108 0.000 2.640 10 S HA 0.054 4.525 4.470 0.003 0.000 0.163 10 S C -1.595 173.005 174.600 -0.000 0.000 0.936 10 S CA 1.112 59.326 58.200 0.023 0.000 1.081 10 S CB 0.330 63.537 63.200 0.012 0.000 1.720 10 S HN 0.415 8.815 8.310 0.151 0.000 0.488 11 G N 2.145 110.925 108.800 -0.033 0.000 2.824 11 G HA2 0.395 4.337 3.960 -0.031 0.000 0.288 11 G HA3 0.395 4.351 3.960 -0.007 0.000 0.288 11 G C -2.237 172.559 174.900 -0.173 0.000 1.554 11 G CA -0.531 44.538 45.100 -0.052 0.000 1.107 11 G HN -0.263 8.001 8.290 -0.042 0.000 0.566 12 P HA 0.174 4.193 4.420 -0.668 0.000 0.318 12 P C -1.161 175.826 177.300 -0.521 0.000 1.309 12 P CA -1.472 61.331 63.100 -0.494 0.000 0.736 12 P CB 1.255 32.745 31.700 -0.349 0.000 1.440 13 Y N -2.572 117.599 120.300 -0.216 0.000 2.511 13 Y HA -0.290 4.109 4.550 -0.227 0.015 0.332 13 Y C -0.959 174.786 175.900 -0.258 0.000 1.177 13 Y CA 1.537 59.484 58.100 -0.254 0.000 1.422 13 Y CB -0.202 38.062 38.460 -0.327 0.000 1.271 13 Y HN 0.036 7.611 8.280 -1.174 0.000 0.550 14 E N 1.030 121.095 120.200 -0.226 0.000 2.597 14 E HA 0.268 4.525 4.350 -0.154 0.000 0.310 14 E C -2.026 174.323 176.600 -0.419 0.000 0.970 14 E CA -1.242 54.978 56.400 -0.300 0.000 0.819 14 E CB 2.496 32.004 29.700 -0.319 0.000 1.267 14 E HN -0.278 7.933 8.360 -0.248 0.000 0.411 15 L N -0.352 120.760 121.223 -0.186 0.000 2.360 15 L HA 0.507 4.777 4.340 -0.116 0.000 0.265 15 L C -1.108 175.731 176.870 -0.052 0.000 1.066 15 L CA -0.980 53.790 54.840 -0.117 0.000 0.929 15 L CB -0.560 41.444 42.059 -0.092 0.000 1.306 15 L HN 0.223 8.382 8.230 -0.120 0.000 0.434 16 R N 2.909 123.445 120.500 0.059 0.000 2.540 16 R HA 0.248 4.604 4.340 0.026 0.000 0.287 16 R C -0.390 175.911 176.300 0.003 0.000 0.980 16 R CA -1.427 54.713 56.100 0.067 0.000 0.966 16 R CB 2.822 33.220 30.300 0.164 0.000 1.106 16 R HN -0.643 7.735 8.270 0.179 0.000 0.480 17 I N 0.845 121.395 120.570 -0.034 0.000 2.692 17 I HA -0.171 4.005 4.170 -0.126 -0.082 0.284 17 I C 0.483 176.583 176.117 -0.028 0.000 1.159 17 I CA 0.911 62.174 61.300 -0.061 0.000 1.423 17 I CB 0.624 38.611 38.000 -0.021 0.000 1.380 17 I HN 0.330 8.537 8.210 -0.005 0.000 0.580 18 E N 7.160 127.338 120.200 -0.038 0.000 2.158 18 E HA -0.154 4.245 4.350 -0.046 -0.077 0.191 18 E C -1.504 175.085 176.600 -0.018 0.000 0.982 18 E CA 1.870 58.249 56.400 -0.035 0.000 0.823 18 E CB 0.966 30.643 29.700 -0.038 0.000 0.766 18 E HN 0.429 8.759 8.360 -0.050 0.000 0.468 19 V N -0.802 119.108 119.914 -0.006 0.000 2.733 19 V HA 0.129 4.251 4.120 0.004 0.000 0.306 19 V C -1.952 174.155 176.094 0.021 0.000 1.084 19 V CA -1.590 60.714 62.300 0.006 0.000 0.905 19 V CB 3.399 35.226 31.823 0.006 0.000 1.010 19 V HN -0.556 7.630 8.190 -0.007 0.000 0.424 20 Q N 5.598 125.414 119.800 0.026 0.000 2.454 20 Q HA 0.439 4.808 4.340 0.049 0.000 0.255 20 Q C -1.796 174.227 176.000 0.038 0.000 1.034 20 Q CA -2.264 53.563 55.803 0.040 0.000 0.736 20 Q CB 0.466 29.231 28.738 0.044 0.000 1.210 20 Q HN 0.238 8.520 8.270 0.021 0.000 0.500 21 P HA 0.135 4.574 4.420 0.031 0.000 0.289 21 P C -0.845 176.482 177.300 0.046 0.000 1.299 21 P CA -0.775 62.346 63.100 0.035 0.000 0.766 21 P CB 0.547 32.261 31.700 0.024 0.000 1.226 22 K N -0.269 120.163 120.400 0.055 0.000 2.505 22 K HA -0.188 4.178 4.320 0.078 0.000 0.272 22 K C -0.027 176.625 176.600 0.086 0.000 0.963 22 K CA 1.078 57.416 56.287 0.086 0.000 0.932 22 K CB 0.410 32.995 32.500 0.140 0.000 0.924 22 K HN 0.036 8.315 8.250 0.049 0.000 0.520 23 S N 0.297 116.065 115.700 0.114 0.000 2.383 23 S HA 0.106 4.624 4.470 0.080 0.000 0.227 23 S C -2.029 172.669 174.600 0.163 0.000 1.261 23 S CA -0.627 57.638 58.200 0.108 0.000 1.262 23 S CB -0.288 62.970 63.200 0.097 0.000 0.992 23 S HN 0.214 8.600 8.310 0.126 0.000 0.491 24 H N -1.791 117.315 119.070 0.059 0.000 2.855 24 H HA 0.341 4.971 4.556 0.123 0.000 0.363 24 H C -2.240 173.168 175.328 0.133 0.000 1.185 24 H CA -0.857 55.251 56.048 0.099 0.000 1.174 24 H CB 2.110 31.922 29.762 0.083 0.000 1.857 24 H HN -0.588 7.713 8.280 0.125 0.054 0.565 25 H N 1.359 120.253 119.070 -0.293 0.000 3.174 25 H HA 0.193 4.382 4.556 -0.612 0.000 0.307 25 H C -0.618 174.675 175.328 -0.059 0.000 1.116 25 H CA -0.161 55.691 56.048 -0.326 0.000 1.489 25 H CB 1.604 31.267 29.762 -0.166 0.000 2.104 25 H HN 0.253 8.684 8.280 0.251 0.000 0.414 26 R N 6.571 127.176 120.500 0.175 0.000 3.268 26 R HA 0.005 4.391 4.340 0.078 0.000 0.217 26 R C -1.458 174.451 176.300 -0.651 0.000 1.568 26 R CA -0.097 55.897 56.100 -0.177 0.000 1.322 26 R CB -2.249 28.050 30.300 -0.001 0.000 1.280 26 R HN 0.419 8.858 8.270 0.281 0.000 0.667 27 A N 4.215 126.718 122.820 -0.529 0.000 3.063 27 A HA 0.048 4.055 4.320 -0.523 0.000 0.263 27 A C -1.423 176.025 177.584 -0.227 0.000 1.736 27 A CA -0.338 51.451 52.037 -0.414 0.000 1.408 27 A CB -0.527 18.340 19.000 -0.220 0.000 1.108 27 A HN 0.162 8.153 8.150 -0.205 0.035 0.621 28 H N -3.128 116.017 119.070 0.125 0.000 3.225 28 H HA 0.203 4.795 4.556 0.059 0.000 0.205 28 H C -2.598 172.875 175.328 0.242 0.000 1.314 28 H CA -0.698 55.429 56.048 0.130 0.000 1.336 28 H CB -0.364 29.473 29.762 0.126 0.000 2.276 28 H HN -0.025 7.920 8.280 -0.473 0.051 0.535 29 Y N -1.969 118.318 120.300 -0.022 0.000 2.243 29 Y HA 0.102 4.671 4.550 0.031 0.000 0.315 29 Y C -2.192 173.682 175.900 -0.043 0.000 1.286 29 Y CA -0.125 57.974 58.100 -0.002 0.000 1.230 29 Y CB 1.217 39.688 38.460 0.019 0.000 1.295 29 Y HN -0.710 7.466 8.280 -0.172 0.000 0.401 30 E N 0.853 120.956 120.200 -0.163 0.000 2.380 30 E HA 0.152 4.377 4.350 -0.208 0.000 0.280 30 E C -2.380 174.161 176.600 -0.097 0.000 1.100 30 E CA 0.428 56.692 56.400 -0.228 0.000 0.608 30 E CB 0.408 29.890 29.700 -0.364 0.000 1.174 30 E HN 0.128 8.478 8.360 -0.017 0.000 0.413 31 T N 0.390 114.925 114.554 -0.032 0.000 3.714 31 T HA 0.261 4.588 4.350 -0.037 0.000 0.309 31 T C -0.513 174.185 174.700 -0.004 0.000 0.958 31 T CA 0.145 62.232 62.100 -0.020 0.000 1.010 31 T CB 0.283 69.148 68.868 -0.005 0.000 1.202 31 T HN -0.002 8.240 8.240 0.004 0.000 0.476 32 E N 0.822 121.021 120.200 -0.001 0.000 2.101 32 E HA 0.095 4.451 4.350 0.010 0.000 0.194 32 E C 1.764 178.361 176.600 -0.004 0.000 0.950 32 E CA 0.274 56.679 56.400 0.008 0.000 0.917 32 E CB -0.100 29.615 29.700 0.025 0.000 0.963 32 E HN -0.165 8.188 8.360 -0.011 0.000 0.476 33 G N 1.707 110.502 108.800 -0.009 0.000 2.813 33 G HA2 -0.090 3.865 3.960 -0.009 0.000 0.208 33 G HA3 -0.090 3.860 3.960 -0.017 0.000 0.208 33 G C 0.110 174.997 174.900 -0.021 0.000 1.395 33 G CA 0.558 45.650 45.100 -0.014 0.000 0.849 33 G HN -0.045 8.241 8.290 -0.007 0.000 0.617 34 S N -3.423 112.258 115.700 -0.031 0.000 2.786 34 S HA 0.028 4.479 4.470 -0.031 0.000 0.269 34 S C -0.358 174.213 174.600 -0.048 0.000 1.040 34 S CA 0.343 58.522 58.200 -0.034 0.000 1.099 34 S CB 1.931 65.114 63.200 -0.029 0.000 0.936 34 S HN -0.364 7.924 8.310 -0.037 0.000 0.450 35 R N 1.677 122.143 120.500 -0.057 0.000 2.430 35 R HA 0.227 4.517 4.340 -0.085 0.000 0.325 35 R C -0.242 176.005 176.300 -0.090 0.000 1.048 35 R CA -0.210 55.846 56.100 -0.074 0.000 1.183 35 R CB 0.307 30.570 30.300 -0.062 0.000 1.406 35 R HN -0.260 7.979 8.270 -0.051 0.000 0.694 36 G N 0.666 109.410 108.800 -0.094 0.000 2.680 36 G HA2 0.003 3.918 3.960 -0.075 0.000 0.274 36 G HA3 0.003 3.905 3.960 -0.098 0.000 0.274 36 G C -1.089 173.724 174.900 -0.145 0.000 1.292 36 G CA -0.379 44.661 45.100 -0.101 0.000 1.007 36 G HN -0.332 7.907 8.290 -0.085 0.000 0.578 37 A N -1.809 120.927 122.820 -0.140 0.000 2.437 37 A HA 0.304 4.499 4.320 -0.209 0.000 0.288 37 A C -1.637 175.836 177.584 -0.185 0.000 1.201 37 A CA -1.001 50.935 52.037 -0.168 0.000 0.795 37 A CB 2.520 21.452 19.000 -0.113 0.000 1.359 37 A HN -0.148 7.941 8.150 -0.103 0.000 0.435 38 V N 0.266 120.073 119.914 -0.178 0.000 2.525 38 V HA 0.173 4.317 4.120 0.039 0.000 0.299 38 V C -1.623 174.629 176.094 0.263 0.000 1.034 38 V CA -1.040 61.223 62.300 -0.061 0.000 0.863 38 V CB 1.882 33.456 31.823 -0.416 0.000 0.999 38 V HN 0.250 8.325 8.190 -0.192 0.000 0.423 39 K N 7.147 127.706 120.400 0.265 0.000 2.616 39 K HA 0.252 4.525 4.320 -0.078 0.000 0.255 39 K C -1.577 174.860 176.600 -0.272 0.000 0.995 39 K CA -1.391 54.866 56.287 -0.049 0.000 0.860 39 K CB 2.264 34.737 32.500 -0.044 0.000 1.264 39 K HN 0.178 8.554 8.250 0.211 0.000 0.451 40 A N 3.769 126.193 122.820 -0.659 0.000 2.523 40 A HA 0.110 4.281 4.320 -0.249 0.000 0.251 40 A C 0.184 177.652 177.584 -0.193 0.000 1.706 40 A CA -0.675 51.126 52.037 -0.395 0.000 0.847 40 A CB 0.590 19.267 19.000 -0.538 0.000 1.571 40 A HN 0.271 7.682 8.150 -1.231 0.000 0.625 41 S N -0.670 114.960 115.700 -0.116 0.000 2.560 41 S HA -0.299 4.150 4.470 -0.035 0.000 0.276 41 S C 0.580 175.152 174.600 -0.048 0.000 1.350 41 S CA 1.708 59.878 58.200 -0.050 0.000 1.024 41 S CB 0.639 63.831 63.200 -0.014 0.000 0.864 41 S HN 0.182 8.427 8.310 -0.109 0.000 0.536 42 A N -1.555 121.254 122.820 -0.019 0.000 2.596 42 A HA -0.328 3.995 4.320 0.005 0.000 0.300 42 A C -0.173 177.407 177.584 -0.007 0.000 1.495 42 A CA 0.753 52.790 52.037 0.000 0.000 0.769 42 A CB -1.283 17.730 19.000 0.021 0.000 1.047 42 A HN 0.634 8.777 8.150 -0.012 0.000 0.436 43 G N -4.394 104.385 108.800 -0.035 0.000 2.412 43 G HA2 -0.491 3.428 3.960 -0.069 0.000 0.297 43 G HA3 -0.491 3.510 3.960 -0.030 -0.059 0.297 43 G C 0.292 175.136 174.900 -0.093 0.000 0.965 43 G CA 0.511 45.578 45.100 -0.055 0.000 1.134 43 G HN -0.030 8.239 8.290 -0.036 0.000 0.511 44 G N 0.810 109.513 108.800 -0.161 0.000 4.230 44 G HA2 -0.571 3.195 3.960 -0.323 0.000 0.340 44 G HA3 -0.571 3.236 3.960 -0.256 0.000 0.340 44 G C -0.364 174.554 174.900 0.030 0.000 1.315 44 G CA 0.349 45.327 45.100 -0.203 0.000 1.033 44 G HN -0.053 7.925 8.290 -0.175 0.207 0.741 45 H N 5.081 124.141 119.070 -0.016 0.000 3.038 45 H HA 0.094 4.678 4.556 0.047 0.000 0.338 45 H C -0.852 174.509 175.328 0.056 0.000 1.041 45 H CA -1.839 54.235 56.048 0.042 0.000 1.394 45 H CB -0.604 29.202 29.762 0.074 0.000 1.357 45 H HN -0.227 7.968 8.280 -0.127 0.010 0.600 46 P HA 0.040 4.515 4.420 0.091 0.000 0.307 46 P C -1.331 176.037 177.300 0.112 0.000 1.306 46 P CA -0.732 62.443 63.100 0.124 0.000 0.742 46 P CB 1.471 33.236 31.700 0.108 0.000 1.349 47 I N -2.938 117.665 120.570 0.054 0.000 2.677 47 I HA 0.032 4.227 4.170 0.041 0.000 0.305 47 I C -0.646 175.438 176.117 -0.055 0.000 0.988 47 I CA -1.999 59.312 61.300 0.018 0.000 1.260 47 I CB 0.067 38.069 38.000 0.004 0.000 1.410 47 I HN -0.582 7.654 8.210 0.043 0.000 0.523 48 V N 2.096 121.950 119.914 -0.099 0.000 2.686 48 V HA 0.408 4.345 4.120 -0.305 0.000 0.306 48 V C -2.218 173.787 176.094 -0.147 0.000 1.065 48 V CA -1.777 60.371 62.300 -0.252 0.000 0.894 48 V CB 1.885 33.430 31.823 -0.464 0.000 1.004 48 V HN 0.199 8.360 8.190 -0.048 0.000 0.424 49 Q N 4.310 124.036 119.800 -0.123 0.000 2.263 49 Q HA 0.407 4.725 4.340 -0.037 0.000 0.262 49 Q C -2.430 173.582 176.000 0.020 0.000 0.984 49 Q CA -1.735 54.047 55.803 -0.036 0.000 0.813 49 Q CB 2.922 31.653 28.738 -0.012 0.000 1.299 49 Q HN -0.098 8.080 8.270 -0.153 0.000 0.428 50 L N 6.480 127.710 121.223 0.013 0.000 2.281 50 L HA 0.067 4.400 4.340 -0.012 0.000 0.285 50 L C -0.891 176.037 176.870 0.096 0.000 1.074 50 L CA -0.329 54.524 54.840 0.022 0.000 0.817 50 L CB 0.384 42.446 42.059 0.004 0.000 1.168 50 L HN 0.409 8.637 8.230 -0.003 0.000 0.434 51 H N 1.156 120.227 119.070 0.001 0.000 2.856 51 H HA 0.400 4.964 4.556 0.014 0.000 0.355 51 H C -0.969 174.367 175.328 0.013 0.000 1.079 51 H CA -1.268 54.783 56.048 0.004 0.000 1.240 51 H CB 2.474 32.223 29.762 -0.022 0.000 1.701 51 H HN 0.103 8.261 8.280 -0.203 0.000 0.527 52 G N 1.531 110.309 108.800 -0.037 0.000 2.559 52 G HA2 -0.250 3.629 3.960 -0.145 0.000 0.202 52 G HA3 -0.250 3.715 3.960 -0.243 -0.150 0.202 52 G C -2.018 172.876 174.900 -0.010 0.000 0.992 52 G CA -0.005 45.014 45.100 -0.135 0.000 0.764 52 G HN 0.255 8.586 8.290 0.068 0.000 0.525 53 Y N 0.971 121.300 120.300 0.048 0.000 2.326 53 Y HA 0.277 5.009 4.550 0.305 0.000 0.329 53 Y C -2.483 173.456 175.900 0.065 0.000 0.973 53 Y CA -1.923 56.295 58.100 0.197 0.000 1.162 53 Y CB 1.601 40.204 38.460 0.239 0.000 1.147 53 Y HN -0.349 8.060 8.280 0.214 0.000 0.456 54 L N 0.552 122.020 121.223 0.409 0.000 2.928 54 L HA 0.320 4.693 4.340 0.055 0.000 0.236 54 L C -1.044 175.845 176.870 0.031 0.000 1.290 54 L CA -0.934 53.978 54.840 0.120 0.000 1.099 54 L CB 0.451 42.540 42.059 0.050 0.000 1.437 54 L HN -0.071 8.494 8.230 0.558 0.000 0.493 55 E N -0.735 119.357 120.200 -0.180 0.000 2.354 55 E HA -0.115 4.153 4.350 -0.138 0.000 0.269 55 E C -0.178 176.287 176.600 -0.225 0.000 1.036 55 E CA -0.825 55.374 56.400 -0.334 0.000 0.876 55 E CB 1.525 30.669 29.700 -0.927 0.000 1.009 55 E HN -0.598 7.490 8.360 -0.301 0.092 0.416 56 N N -1.260 117.355 118.700 -0.141 0.000 2.410 56 N HA -0.125 4.562 4.740 -0.089 0.000 0.231 56 N C -1.262 174.184 175.510 -0.107 0.000 1.172 56 N CA 0.397 53.388 53.050 -0.097 0.000 0.849 56 N CB -0.168 38.285 38.487 -0.056 0.000 1.116 56 N HN 0.196 8.507 8.380 -0.114 0.000 0.485 57 E N -2.160 117.945 120.200 -0.158 0.000 2.293 57 E HA 0.354 4.649 4.350 -0.092 0.000 0.270 57 E C -2.889 173.628 176.600 -0.139 0.000 0.879 57 E CA -3.860 52.461 56.400 -0.131 0.000 0.756 57 E CB 1.920 31.541 29.700 -0.132 0.000 1.208 57 E HN -0.616 7.494 8.360 -0.228 0.113 0.428 58 P HA 0.072 4.563 4.420 -0.074 -0.115 0.281 58 P C -1.358 175.901 177.300 -0.067 0.000 1.252 58 P CA -0.390 62.666 63.100 -0.072 0.000 0.778 58 P CB 0.904 32.576 31.700 -0.047 0.000 0.895 59 L N 3.393 124.583 121.223 -0.056 0.000 2.286 59 L HA 0.427 4.746 4.340 -0.035 0.000 0.265 59 L C -0.860 176.005 176.870 -0.008 0.000 1.012 59 L CA -2.054 52.766 54.840 -0.033 0.000 0.818 59 L CB 3.033 45.076 42.059 -0.026 0.000 1.337 59 L HN -0.215 7.983 8.230 -0.053 0.000 0.438 60 M N 0.083 119.687 119.600 0.006 0.000 2.066 60 M HA 0.094 4.586 4.480 0.021 0.000 0.340 60 M C -1.000 175.327 176.300 0.045 0.000 1.053 60 M CA -0.761 54.552 55.300 0.021 0.000 0.983 60 M CB 0.334 32.941 32.600 0.012 0.000 1.520 60 M HN 0.166 8.460 8.290 0.005 0.000 0.428 61 L N 4.091 125.352 121.223 0.062 0.000 2.426 61 L HA 0.023 4.414 4.340 0.085 0.000 0.271 61 L C -1.526 175.417 176.870 0.122 0.000 1.169 61 L CA -0.016 54.881 54.840 0.096 0.000 0.836 61 L CB 1.537 43.663 42.059 0.111 0.000 1.112 61 L HN -0.020 8.244 8.230 0.057 0.000 0.465 62 Q N 4.797 124.681 119.800 0.141 0.000 2.456 62 Q HA 0.156 4.548 4.340 0.087 0.000 0.234 62 Q C -1.664 174.436 176.000 0.168 0.000 1.061 62 Q CA -0.256 55.618 55.803 0.118 0.000 0.896 62 Q CB 0.395 29.186 28.738 0.088 0.000 1.233 62 Q HN -0.080 8.279 8.270 0.148 0.000 0.506 63 L N 6.520 127.844 121.223 0.168 0.000 2.341 63 L HA 0.945 5.468 4.340 0.017 -0.173 0.278 63 L C -2.429 174.528 176.870 0.145 0.000 1.005 63 L CA -1.294 53.615 54.840 0.115 0.000 0.818 63 L CB 3.563 45.762 42.059 0.234 0.000 1.259 63 L HN -0.352 7.967 8.230 0.148 0.000 0.418 64 F N 3.673 123.498 119.950 -0.208 0.000 2.773 64 F HA 0.328 4.776 4.527 -0.133 0.000 0.314 64 F C -3.207 172.501 175.800 -0.153 0.000 1.160 64 F CA -1.247 56.667 58.000 -0.142 0.000 0.920 64 F CB 2.453 41.406 39.000 -0.078 0.000 1.323 64 F HN -0.375 7.943 8.300 0.030 0.000 0.457 65 I N 1.055 121.120 120.570 -0.842 0.000 2.339 65 I HA 0.240 4.012 4.170 -0.663 0.000 0.290 65 I C -1.867 173.585 176.117 -1.109 0.000 0.994 65 I CA -1.844 58.996 61.300 -0.766 0.000 1.191 65 I CB 1.974 39.818 38.000 -0.261 0.000 1.343 65 I HN 0.507 8.424 8.210 -0.488 0.000 0.458 66 G N 7.523 115.768 108.800 -0.925 0.000 2.571 66 G HA2 0.588 4.408 3.960 -0.306 0.000 0.304 66 G HA3 0.588 4.345 3.960 -0.355 -0.011 0.304 66 G C -2.275 172.563 174.900 -0.104 0.000 1.314 66 G CA -0.956 43.869 45.100 -0.458 0.000 0.975 66 G HN 0.148 8.019 8.290 -0.698 0.000 0.485 67 T N -1.999 112.505 114.554 -0.084 0.000 2.904 67 T HA 0.098 4.419 4.350 -0.049 0.000 0.290 67 T C -1.165 173.503 174.700 -0.053 0.000 1.018 67 T CA -1.780 60.251 62.100 -0.114 0.000 1.075 67 T CB 1.427 70.105 68.868 -0.317 0.000 0.986 67 T HN -0.089 8.085 8.240 -0.110 0.000 0.523 68 A N 2.597 125.396 122.820 -0.034 0.000 2.485 68 A HA 0.213 4.526 4.320 -0.012 0.000 0.285 68 A C -1.962 175.617 177.584 -0.007 0.000 1.045 68 A CA -0.007 52.024 52.037 -0.010 0.000 0.792 68 A CB 2.157 21.164 19.000 0.012 0.000 1.307 68 A HN -0.132 7.998 8.150 -0.033 0.000 0.406 69 D N 0.014 120.408 120.400 -0.011 0.000 2.389 69 D HA 0.036 4.676 4.640 -0.001 0.000 0.206 69 D C -0.141 176.160 176.300 0.003 0.000 1.055 69 D CA 1.100 55.097 54.000 -0.005 0.000 0.856 69 D CB 0.678 41.470 40.800 -0.013 0.000 0.957 69 D HN 0.164 8.525 8.370 -0.014 0.000 0.509 70 D N -2.530 117.872 120.400 0.004 0.000 2.690 70 D HA 0.131 4.777 4.640 0.010 0.000 0.235 70 D C 0.737 177.045 176.300 0.013 0.000 1.327 70 D CA 0.691 54.696 54.000 0.008 0.000 1.264 70 D CB 0.932 41.735 40.800 0.005 0.000 1.574 70 D HN -0.415 7.917 8.370 0.003 0.039 0.421 71 R N -2.347 118.161 120.500 0.013 0.000 2.149 71 R HA 0.053 4.408 4.340 0.025 0.000 0.071 71 R C -1.071 175.242 176.300 0.021 0.000 0.837 71 R CA 0.232 56.344 56.100 0.020 0.000 2.893 71 R CB 1.165 31.476 30.300 0.018 0.000 1.270 71 R HN -0.456 7.820 8.270 0.009 0.000 0.526 72 L N 3.685 124.916 121.223 0.014 0.000 2.574 72 L HA -0.118 4.230 4.340 0.014 0.000 0.281 72 L C -0.976 175.908 176.870 0.024 0.000 1.212 72 L CA 0.033 54.881 54.840 0.014 0.000 1.082 72 L CB -1.144 40.917 42.059 0.004 0.000 1.362 72 L HN -0.144 8.091 8.230 0.009 0.000 0.451 73 L N 0.375 121.626 121.223 0.046 0.000 2.516 73 L HA 0.027 4.562 4.340 0.064 -0.157 0.288 73 L C 0.338 177.260 176.870 0.086 0.000 1.246 73 L CA 0.229 55.120 54.840 0.085 0.000 0.844 73 L CB 0.219 42.373 42.059 0.159 0.000 1.106 73 L HN -0.213 8.032 8.230 0.046 0.012 0.509 74 R N -0.956 119.603 120.500 0.098 0.000 2.799 74 R HA 0.506 4.892 4.340 0.076 0.000 0.270 74 R C -2.728 173.650 176.300 0.129 0.000 1.010 74 R CA -3.040 53.104 56.100 0.073 0.000 0.916 74 R CB 1.661 31.954 30.300 -0.011 0.000 1.228 74 R HN 0.134 8.458 8.270 0.091 0.000 0.469 75 P HA 0.051 4.683 4.420 0.354 0.000 0.282 75 P C -1.090 176.230 177.300 0.033 0.000 1.274 75 P CA -0.308 62.890 63.100 0.163 0.000 0.770 75 P CB 0.464 32.227 31.700 0.106 0.000 0.867 76 H N 7.135 126.173 119.070 -0.053 0.000 2.895 76 H HA -0.242 4.214 4.556 -0.166 0.000 0.371 76 H C 0.449 175.714 175.328 -0.104 0.000 1.219 76 H CA 1.399 57.369 56.048 -0.129 0.000 1.431 76 H CB 1.657 31.335 29.762 -0.139 0.000 1.414 76 H HN -0.441 7.914 8.280 0.125 0.000 0.617 77 A N 2.449 125.295 122.820 0.042 0.000 1.819 77 A HA -0.228 4.093 4.320 0.002 0.000 0.215 77 A C -0.646 176.984 177.584 0.077 0.000 1.226 77 A CA 2.254 54.346 52.037 0.092 0.000 0.608 77 A CB 0.525 19.631 19.000 0.176 0.000 0.877 77 A HN 0.428 8.532 8.150 -0.076 0.000 0.452 78 F N -7.094 112.977 119.950 0.202 0.000 2.791 78 F HA 0.328 5.098 4.527 0.138 -0.160 0.316 78 F C -0.474 175.493 175.800 0.278 0.000 1.134 78 F CA -1.408 56.707 58.000 0.192 0.000 1.222 78 F CB 1.443 40.529 39.000 0.145 0.000 1.034 78 F HN -0.221 8.387 8.300 0.514 0.000 0.516 79 Y N 1.540 121.872 120.300 0.052 0.000 2.532 79 Y HA -0.100 4.368 4.550 -0.136 0.000 0.337 79 Y C -1.134 174.696 175.900 -0.118 0.000 1.274 79 Y CA -0.805 57.188 58.100 -0.178 0.000 1.817 79 Y CB -2.612 35.413 38.460 -0.724 0.000 1.769 79 Y HN -0.025 8.456 8.280 0.433 0.059 0.447 80 Q N -1.414 118.426 119.800 0.067 0.000 2.081 80 Q HA 0.187 4.517 4.340 -0.017 0.000 0.220 80 Q C -0.992 175.048 176.000 0.068 0.000 0.775 80 Q CA -0.927 54.894 55.803 0.029 0.000 0.983 80 Q CB 2.042 30.800 28.738 0.035 0.000 1.188 80 Q HN -0.250 8.046 8.270 0.101 0.035 0.458 81 V N -2.555 117.389 119.914 0.050 0.000 2.686 81 V HA 0.150 4.351 4.120 0.135 0.000 0.295 81 V C -0.814 175.368 176.094 0.148 0.000 1.055 81 V CA -0.989 61.360 62.300 0.082 0.000 1.050 81 V CB 0.699 32.518 31.823 -0.007 0.000 0.984 81 V HN -0.590 7.600 8.190 0.000 0.000 0.482 82 H N 0.283 119.315 119.070 -0.063 0.000 3.828 82 H HA 0.058 4.557 4.556 -0.095 0.000 0.284 82 H C -1.767 173.537 175.328 -0.040 0.000 1.220 82 H CA -1.114 54.896 56.048 -0.063 0.000 1.375 82 H CB 0.061 29.800 29.762 -0.038 0.000 2.752 82 H HN -0.106 8.224 8.280 0.084 0.000 0.577 83 R N 0.944 121.298 120.500 -0.244 0.000 2.441 83 R HA 0.121 4.233 4.340 -0.380 0.000 0.284 83 R C -0.713 175.488 176.300 -0.164 0.000 1.070 83 R CA -0.632 55.315 56.100 -0.255 0.000 1.047 83 R CB 1.268 31.477 30.300 -0.153 0.000 1.016 83 R HN -0.267 7.922 8.270 -0.134 0.000 0.477 84 I N 3.030 123.512 120.570 -0.146 0.000 2.412 84 I HA 0.165 4.407 4.170 -0.062 -0.109 0.296 84 I C -0.023 176.059 176.117 -0.058 0.000 0.987 84 I CA -0.059 61.196 61.300 -0.076 0.000 1.180 84 I CB 1.523 39.493 38.000 -0.050 0.000 1.340 84 I HN 0.143 8.247 8.210 -0.176 0.000 0.455 85 T N 5.442 119.971 114.554 -0.041 0.000 2.589 85 T HA 0.215 4.546 4.350 -0.032 0.000 0.261 85 T C 0.560 175.247 174.700 -0.022 0.000 0.936 85 T CA -1.401 60.680 62.100 -0.033 0.000 1.202 85 T CB 1.168 70.014 68.868 -0.036 0.000 1.576 85 T HN -0.078 8.139 8.240 -0.037 0.000 0.464 86 G N 1.977 110.765 108.800 -0.019 0.000 2.987 86 G HA2 -0.486 3.467 3.960 -0.012 0.000 0.363 86 G HA3 -0.486 3.467 3.960 -0.013 0.000 0.363 86 G C -0.144 174.750 174.900 -0.009 0.000 1.224 86 G CA 1.383 46.476 45.100 -0.013 0.000 1.042 86 G HN -0.005 8.272 8.290 -0.021 0.000 0.644 87 K N 3.846 124.242 120.400 -0.007 0.000 2.295 87 K HA 0.054 4.373 4.320 -0.003 0.000 0.270 87 K C -0.825 175.773 176.600 -0.003 0.000 1.011 87 K CA -0.265 56.020 56.287 -0.003 0.000 0.953 87 K CB 0.875 33.375 32.500 -0.000 0.000 0.956 87 K HN -0.202 8.043 8.250 -0.008 0.000 0.477 88 T N 0.804 115.358 114.554 -0.000 0.000 2.743 88 T HA 0.041 4.390 4.350 -0.002 0.000 0.292 88 T C -0.524 174.180 174.700 0.006 0.000 0.972 88 T CA -0.587 61.513 62.100 0.001 0.000 0.967 88 T CB 0.354 69.222 68.868 0.001 0.000 0.926 88 T HN -0.012 8.229 8.240 0.000 0.000 0.459 89 V N 4.529 124.448 119.914 0.010 0.000 2.483 89 V HA 0.156 4.286 4.120 0.016 0.000 0.295 89 V C -0.006 176.100 176.094 0.020 0.000 1.035 89 V CA -1.092 61.218 62.300 0.017 0.000 0.896 89 V CB 1.826 33.664 31.823 0.026 0.000 0.986 89 V HN 0.104 8.298 8.190 0.007 0.000 0.447 90 S N 5.918 121.631 115.700 0.021 0.000 2.710 90 S HA 0.078 4.560 4.470 0.021 0.000 0.224 90 S C -0.681 173.938 174.600 0.031 0.000 0.948 90 S CA 0.552 58.766 58.200 0.022 0.000 0.949 90 S CB 0.134 63.344 63.200 0.017 0.000 0.778 90 S HN 0.303 8.624 8.310 0.019 0.000 0.498 91 T N 2.418 116.996 114.554 0.039 0.000 2.853 91 T HA -0.075 4.304 4.350 0.048 0.000 0.298 91 T C -0.255 174.484 174.700 0.065 0.000 0.978 91 T CA 1.022 63.154 62.100 0.054 0.000 1.152 91 T CB 0.596 69.505 68.868 0.068 0.000 0.914 91 T HN -0.385 7.768 8.240 0.037 0.109 0.539 92 T N 11.495 126.090 114.554 0.068 0.000 2.997 92 T HA 0.144 4.545 4.350 0.085 0.000 0.311 92 T C -0.940 173.832 174.700 0.119 0.000 1.079 92 T CA -0.245 61.906 62.100 0.084 0.000 0.982 92 T CB -0.604 68.302 68.868 0.063 0.000 1.032 92 T HN 0.225 8.500 8.240 0.058 0.000 0.581 93 S N 5.717 121.507 115.700 0.150 0.000 2.745 93 S HA 0.159 4.738 4.470 0.181 0.000 0.292 93 S C -1.007 173.756 174.600 0.271 0.000 1.133 93 S CA -1.219 57.100 58.200 0.198 0.000 0.998 93 S CB 1.649 64.983 63.200 0.223 0.000 1.087 93 S HN -0.169 8.220 8.310 0.132 0.000 0.551 94 H N -0.430 118.713 119.070 0.122 0.000 3.008 94 H HA 0.182 4.801 4.556 0.104 0.000 0.354 94 H C -1.947 173.454 175.328 0.121 0.000 1.252 94 H CA -0.233 55.878 56.048 0.105 0.000 1.117 94 H CB 3.865 33.668 29.762 0.067 0.000 1.857 94 H HN 0.168 8.605 8.280 0.261 0.000 0.547 95 E N 1.679 121.843 120.200 -0.060 0.000 2.218 95 E HA 0.644 5.253 4.350 0.066 -0.220 0.263 95 E C -1.673 174.951 176.600 0.040 0.000 0.879 95 E CA -1.199 55.223 56.400 0.037 0.000 0.762 95 E CB 2.463 32.212 29.700 0.081 0.000 1.166 95 E HN 0.235 8.306 8.360 -0.482 0.000 0.415 96 A N 5.098 127.961 122.820 0.071 0.000 2.287 96 A HA 0.427 4.790 4.320 0.071 0.000 0.317 96 A C -2.384 175.222 177.584 0.037 0.000 1.220 96 A CA -1.238 50.839 52.037 0.066 0.000 0.835 96 A CB 2.300 21.344 19.000 0.073 0.000 1.180 96 A HN 0.459 8.650 8.150 0.069 0.000 0.500 97 I N 3.891 124.476 120.570 0.026 0.000 2.436 97 I HA 0.611 5.048 4.170 0.007 -0.262 0.289 97 I C -1.146 174.972 176.117 0.002 0.000 1.010 97 I CA -2.369 58.936 61.300 0.009 0.000 1.098 97 I CB 2.899 40.902 38.000 0.005 0.000 1.266 97 I HN 0.284 8.512 8.210 0.029 0.000 0.434 98 L N 6.692 127.911 121.223 -0.008 0.000 2.839 98 L HA 0.454 4.791 4.340 -0.005 0.000 0.259 98 L C -1.601 175.257 176.870 -0.020 0.000 1.369 98 L CA -0.668 54.166 54.840 -0.011 0.000 0.845 98 L CB 0.382 42.434 42.059 -0.012 0.000 1.181 98 L HN 0.083 8.306 8.230 -0.012 0.000 0.529 99 S N 2.171 117.856 115.700 -0.025 0.000 3.373 99 S HA -0.233 4.218 4.470 -0.030 0.000 0.728 99 S C -0.637 173.923 174.600 -0.066 0.000 0.612 99 S CA 0.595 58.775 58.200 -0.035 0.000 1.473 99 S CB -0.028 63.160 63.200 -0.020 0.000 0.990 99 S HN -0.026 8.272 8.310 -0.021 0.000 0.936 100 N N -0.006 118.621 118.700 -0.122 0.000 2.708 100 N HA -0.433 4.074 4.740 -0.387 0.000 0.251 100 N C -1.976 173.451 175.510 -0.138 0.000 1.017 100 N CA 1.452 54.373 53.050 -0.216 0.000 0.742 100 N CB -0.686 37.701 38.487 -0.168 0.000 0.943 100 N HN 0.409 8.718 8.380 -0.118 0.000 0.539 101 T N -4.826 109.673 114.554 -0.091 0.000 3.337 101 T HA 0.149 4.502 4.350 0.004 0.000 0.321 101 T C -1.469 173.236 174.700 0.008 0.000 0.852 101 T CA -0.675 61.413 62.100 -0.020 0.000 1.242 101 T CB 1.227 70.088 68.868 -0.012 0.000 0.979 101 T HN -0.378 7.797 8.240 -0.097 0.006 0.508 102 K N 6.752 127.169 120.400 0.028 0.000 2.098 102 K HA 0.814 5.388 4.320 0.030 -0.236 0.258 102 K C -1.039 175.630 176.600 0.114 0.000 0.973 102 K CA -1.328 54.986 56.287 0.044 0.000 0.898 102 K CB 2.021 34.534 32.500 0.022 0.000 1.057 102 K HN 0.192 8.454 8.250 0.020 0.000 0.447 103 V N -0.870 119.098 119.914 0.089 0.000 3.206 103 V HA 0.225 4.504 4.120 0.265 0.000 0.305 103 V C -1.991 174.144 176.094 0.068 0.000 1.257 103 V CA -2.017 60.364 62.300 0.136 0.000 1.057 103 V CB 3.718 35.581 31.823 0.066 0.000 1.075 103 V HN 0.031 8.255 8.190 0.056 0.000 0.443 104 L N -0.159 121.114 121.223 0.084 0.000 2.356 104 L HA 0.721 5.324 4.340 0.046 -0.236 0.277 104 L C -0.916 176.018 176.870 0.106 0.000 0.996 104 L CA -1.419 53.455 54.840 0.057 0.000 0.822 104 L CB 1.689 43.752 42.059 0.006 0.000 1.256 104 L HN 0.172 8.490 8.230 0.148 0.000 0.413 105 E N 2.738 123.021 120.200 0.139 0.000 2.186 105 E HA 0.468 5.024 4.350 0.103 -0.144 0.255 105 E C -1.053 175.628 176.600 0.134 0.000 0.881 105 E CA -1.022 55.452 56.400 0.123 0.000 0.752 105 E CB 1.695 31.457 29.700 0.103 0.000 1.176 105 E HN -0.212 8.146 8.360 0.174 0.107 0.421 106 I N 3.911 124.552 120.570 0.119 0.000 2.382 106 I HA 0.606 4.978 4.170 0.112 -0.134 0.286 106 I C -2.452 173.706 176.117 0.068 0.000 1.002 106 I CA -3.509 57.855 61.300 0.107 0.000 1.135 106 I CB 2.096 40.172 38.000 0.126 0.000 1.288 106 I HN -0.467 7.815 8.210 0.120 0.000 0.448 107 P HA 0.340 4.959 4.420 0.015 -0.190 0.281 107 P C -1.150 176.160 177.300 0.017 0.000 1.286 107 P CA -0.750 62.360 63.100 0.017 0.000 0.772 107 P CB -0.401 31.296 31.700 -0.005 0.000 0.862 108 L N 2.738 123.969 121.223 0.012 0.000 2.286 108 L HA 0.427 4.774 4.340 0.011 0.000 0.265 108 L C -1.215 175.649 176.870 -0.010 0.000 1.012 108 L CA -1.835 53.010 54.840 0.007 0.000 0.818 108 L CB 3.257 45.324 42.059 0.013 0.000 1.337 108 L HN 0.054 8.291 8.230 0.012 0.000 0.438 109 L N -0.188 121.028 121.223 -0.012 0.000 2.275 109 L HA 0.333 4.647 4.340 -0.044 0.000 0.288 109 L C -0.965 175.890 176.870 -0.026 0.000 1.046 109 L CA -2.613 52.210 54.840 -0.028 0.000 0.805 109 L CB 0.340 42.386 42.059 -0.022 0.000 1.193 109 L HN 0.153 8.380 8.230 -0.004 0.000 0.426 110 P HA 0.030 4.462 4.420 0.020 0.000 0.221 110 P C -0.614 176.677 177.300 -0.016 0.000 1.155 110 P CA 0.974 64.053 63.100 -0.034 0.000 0.812 110 P CB 0.950 32.552 31.700 -0.163 0.000 0.801 111 E N -2.209 117.964 120.200 -0.045 0.000 3.666 111 E HA 0.136 4.481 4.350 -0.007 0.000 0.230 111 E C -1.445 175.139 176.600 -0.027 0.000 1.235 111 E CA -0.660 55.724 56.400 -0.027 0.000 1.096 111 E CB -0.348 29.329 29.700 -0.038 0.000 1.287 111 E HN 0.001 8.320 8.360 -0.069 0.000 0.406 112 N N 1.167 119.857 118.700 -0.018 0.000 2.587 112 N HA 0.051 4.782 4.740 -0.015 0.000 0.341 112 N C -1.228 174.277 175.510 -0.008 0.000 0.585 112 N CA 0.316 53.357 53.050 -0.015 0.000 1.401 112 N CB 1.141 39.617 38.487 -0.019 0.000 1.700 112 N HN 0.021 8.395 8.380 -0.011 0.000 1.698 113 S N -0.292 115.404 115.700 -0.006 0.000 2.462 113 S HA 0.054 4.524 4.470 -0.000 0.000 0.334 113 S C -1.787 172.813 174.600 -0.000 0.000 0.733 113 S CA 1.042 59.241 58.200 -0.002 0.000 0.766 113 S CB 0.295 63.493 63.200 -0.003 0.000 1.105 113 S HN -0.268 8.036 8.310 -0.009 0.000 0.505 114 M N 5.017 124.618 119.600 0.003 0.000 4.590 114 M HA 0.079 4.563 4.480 0.006 0.000 0.545 114 M C -2.191 174.112 176.300 0.006 0.000 2.120 114 M CA 0.284 55.587 55.300 0.005 0.000 0.513 114 M CB 0.885 33.488 32.600 0.005 0.000 1.450 114 M HN 0.097 8.390 8.290 0.004 0.000 0.599 115 R N 1.225 121.727 120.500 0.003 0.000 2.442 115 R HA -0.069 4.269 4.340 -0.005 0.000 0.291 115 R C -0.952 175.351 176.300 0.004 0.000 1.069 115 R CA 0.128 56.228 56.100 -0.001 0.000 1.022 115 R CB 0.707 31.005 30.300 -0.004 0.000 0.976 115 R HN -0.268 8.004 8.270 0.003 0.000 0.443 116 A N 7.328 130.150 122.820 0.003 0.000 2.498 116 A HA 0.434 4.768 4.320 0.022 0.000 0.298 116 A C -2.563 175.034 177.584 0.021 0.000 1.075 116 A CA -0.910 51.138 52.037 0.019 0.000 0.714 116 A CB 3.429 22.450 19.000 0.034 0.000 1.299 116 A HN 0.229 8.373 8.150 -0.010 0.000 0.407 117 V N -1.615 118.322 119.914 0.038 0.000 2.531 117 V HA 0.333 4.479 4.120 0.043 0.000 0.301 117 V C -2.067 174.077 176.094 0.083 0.000 1.034 117 V CA -2.098 60.232 62.300 0.049 0.000 0.865 117 V CB 1.824 33.668 31.823 0.035 0.000 0.995 117 V HN 0.105 8.320 8.190 0.041 0.000 0.424 118 I N 7.736 128.381 120.570 0.125 0.000 2.287 118 I HA 0.010 4.269 4.170 0.149 0.000 0.290 118 I C -0.973 175.232 176.117 0.147 0.000 1.069 118 I CA 0.138 61.541 61.300 0.173 0.000 1.237 118 I CB -0.267 37.903 38.000 0.283 0.000 1.418 118 I HN -0.260 8.026 8.210 0.126 0.000 0.481 119 D N 3.495 123.946 120.400 0.084 0.000 2.914 119 D HA 0.111 4.977 4.640 0.029 -0.208 0.349 119 D C -1.036 175.267 176.300 0.004 0.000 1.540 119 D CA -0.808 53.213 54.000 0.036 0.000 0.778 119 D CB 0.396 41.212 40.800 0.027 0.000 1.213 119 D HN -0.164 8.251 8.370 0.076 0.000 0.451 120 C N -0.816 118.488 119.300 0.006 0.000 3.327 120 C HA 0.331 4.775 4.460 -0.028 0.000 0.192 120 C C -1.633 173.338 174.990 -0.031 0.000 1.603 120 C CA -0.918 58.089 59.018 -0.017 0.000 1.222 120 C CB -0.256 27.477 27.740 -0.012 0.000 1.981 120 C HN -0.065 8.184 8.230 0.032 0.000 0.563 121 A N 0.100 122.885 122.820 -0.058 0.000 2.524 121 A HA 0.270 4.564 4.320 -0.044 0.000 0.289 121 A C -2.435 175.077 177.584 -0.120 0.000 1.248 121 A CA -1.388 50.611 52.037 -0.064 0.000 0.712 121 A CB 3.313 22.292 19.000 -0.034 0.000 1.312 121 A HN -0.328 7.776 8.150 -0.077 0.000 0.441 122 G N -3.286 105.425 108.800 -0.149 0.000 2.684 122 G HA2 0.425 4.431 3.960 -0.195 0.000 0.290 122 G HA3 0.425 4.270 3.960 -0.192 0.000 0.290 122 G C -2.054 172.646 174.900 -0.333 0.000 1.425 122 G CA -0.819 44.153 45.100 -0.214 0.000 0.822 122 G HN -0.467 7.755 8.290 -0.113 0.000 0.482 123 I N -3.753 116.526 120.570 -0.486 0.000 2.648 123 I HA 0.328 4.011 4.170 -0.811 0.000 0.304 123 I C -1.749 174.018 176.117 -0.583 0.000 1.009 123 I CA -1.795 59.012 61.300 -0.822 0.000 1.114 123 I CB 2.392 39.611 38.000 -1.302 0.000 1.293 123 I HN -0.015 7.917 8.210 -0.463 0.000 0.449 124 L N 2.398 123.340 121.223 -0.468 0.000 2.318 124 L HA 0.161 4.413 4.340 -0.146 0.000 0.277 124 L C -1.212 175.766 176.870 0.180 0.000 1.008 124 L CA -1.210 53.578 54.840 -0.087 0.000 0.846 124 L CB 0.565 42.647 42.059 0.039 0.000 1.220 124 L HN 0.143 7.982 8.230 -0.653 0.000 0.423 125 K N 7.076 127.543 120.400 0.112 0.000 2.264 125 K HA 0.185 4.732 4.320 0.378 0.000 0.277 125 K C -0.833 175.817 176.600 0.083 0.000 1.067 125 K CA -0.658 55.755 56.287 0.209 0.000 0.900 125 K CB -0.316 32.282 32.500 0.164 0.000 1.124 125 K HN 0.011 8.246 8.250 -0.024 0.000 0.469 126 L N -1.021 120.243 121.223 0.069 0.000 3.510 126 L HA 0.368 4.698 4.340 -0.016 0.000 0.324 126 L C -0.952 175.915 176.870 -0.005 0.000 1.307 126 L CA -0.670 54.159 54.840 -0.019 0.000 1.011 126 L CB 0.528 42.507 42.059 -0.134 0.000 1.422 126 L HN 0.025 8.333 8.230 0.130 0.000 0.617 127 R N 1.138 121.661 120.500 0.039 0.000 2.873 127 R HA -0.232 4.133 4.340 0.042 0.000 0.267 127 R C -0.960 175.348 176.300 0.013 0.000 1.009 127 R CA 1.415 57.534 56.100 0.032 0.000 1.152 127 R CB 0.544 30.863 30.300 0.031 0.000 1.047 127 R HN -0.071 8.240 8.270 0.067 0.000 0.470 128 N N -4.870 113.837 118.700 0.011 0.000 2.278 128 N HA 0.029 4.772 4.740 0.005 0.000 0.239 128 N C -0.668 174.845 175.510 0.006 0.000 1.411 128 N CA 0.074 53.127 53.050 0.005 0.000 0.908 128 N CB 0.869 39.354 38.487 -0.003 0.000 1.307 128 N HN 0.016 8.406 8.380 0.016 0.000 0.522 129 S N -0.581 115.123 115.700 0.007 0.000 3.581 129 S HA -0.212 4.259 4.470 0.002 0.000 0.354 129 S C -1.451 173.154 174.600 0.007 0.000 1.059 129 S CA 1.104 59.306 58.200 0.004 0.000 1.060 129 S CB -0.071 63.130 63.200 0.002 0.000 0.908 129 S HN -0.025 8.290 8.310 0.008 0.000 0.475 130 D N -2.750 117.657 120.400 0.013 0.000 3.471 130 D HA 0.012 4.662 4.640 0.017 0.000 0.154 130 D C -1.612 174.705 176.300 0.028 0.000 1.114 130 D CA -0.059 53.951 54.000 0.017 0.000 1.772 130 D CB 0.414 41.220 40.800 0.011 0.000 0.836 130 D HN -0.409 7.958 8.370 0.017 0.013 0.846 131 I N 1.111 121.709 120.570 0.046 0.000 2.581 131 I HA -0.132 4.077 4.170 0.064 0.000 0.285 131 I C -0.738 175.428 176.117 0.082 0.000 1.129 131 I CA 1.702 63.051 61.300 0.082 0.000 1.397 131 I CB 0.348 38.434 38.000 0.143 0.000 1.399 131 I HN 0.035 8.271 8.210 0.043 0.000 0.537 132 E N 8.008 128.249 120.200 0.068 0.000 2.433 132 E HA 0.164 4.558 4.350 0.074 0.000 0.278 132 E C -1.387 175.248 176.600 0.059 0.000 0.976 132 E CA -1.341 55.096 56.400 0.061 0.000 0.793 132 E CB 3.551 33.272 29.700 0.035 0.000 1.311 132 E HN 0.068 8.457 8.360 0.049 0.000 0.460 133 L N 3.548 124.807 121.223 0.059 0.000 2.451 133 L HA -0.030 4.349 4.340 0.065 0.000 0.272 133 L C -0.127 176.757 176.870 0.024 0.000 1.258 133 L CA 1.547 56.418 54.840 0.052 0.000 1.132 133 L CB -0.970 41.121 42.059 0.053 0.000 1.361 133 L HN 0.349 8.613 8.230 0.057 0.000 0.438 134 R N 0.161 120.666 120.500 0.008 0.000 4.335 134 R HA 0.153 4.493 4.340 -0.000 0.000 0.050 134 R C -0.227 176.061 176.300 -0.019 0.000 0.766 134 R CA -0.706 55.392 56.100 -0.003 0.000 2.101 134 R CB 1.471 31.772 30.300 0.001 0.000 1.383 134 R HN 0.390 8.640 8.270 0.002 0.021 0.441 135 K N -0.478 119.905 120.400 -0.028 0.000 2.931 135 K HA 0.014 4.294 4.320 -0.067 0.000 0.321 135 K C -1.858 174.717 176.600 -0.042 0.000 1.191 135 K CA 0.202 56.462 56.287 -0.045 0.000 0.954 135 K CB 2.054 34.534 32.500 -0.033 0.000 1.350 135 K HN -0.196 8.042 8.250 -0.020 0.000 0.396 136 G N 2.455 111.220 108.800 -0.057 0.000 2.655 136 G HA2 0.282 4.226 3.960 -0.028 0.000 0.334 136 G HA3 0.282 4.211 3.960 -0.052 0.000 0.334 136 G C -1.503 173.379 174.900 -0.031 0.000 1.099 136 G CA -0.215 44.860 45.100 -0.042 0.000 1.075 136 G HN 0.194 8.438 8.290 -0.077 0.000 0.463 137 E N 3.693 123.881 120.200 -0.020 0.000 2.216 137 E HA 0.307 4.648 4.350 -0.014 0.000 0.260 137 E C -0.895 175.700 176.600 -0.007 0.000 0.880 137 E CA -0.689 55.703 56.400 -0.014 0.000 0.765 137 E CB 0.244 29.936 29.700 -0.013 0.000 1.174 137 E HN -0.086 8.264 8.360 -0.017 0.000 0.417 138 T N 1.301 115.852 114.554 -0.004 0.000 3.608 138 T HA 0.104 4.453 4.350 -0.001 0.000 0.293 138 T C 0.002 174.704 174.700 0.002 0.000 0.933 138 T CA 0.482 62.581 62.100 -0.000 0.000 1.081 138 T CB 0.697 69.565 68.868 0.001 0.000 1.166 138 T HN 0.273 8.511 8.240 -0.003 0.000 0.500 139 D N 0.109 120.512 120.400 0.005 0.000 1.690 139 D HA -0.050 4.595 4.640 0.008 0.000 0.243 139 D C -0.705 175.604 176.300 0.014 0.000 1.432 139 D CA 0.855 54.860 54.000 0.008 0.000 0.572 139 D CB -0.026 40.777 40.800 0.006 0.000 3.251 139 D HN -0.109 8.264 8.370 0.005 0.000 0.193 140 I N -5.002 115.577 120.570 0.015 0.000 4.787 140 I HA 0.273 4.463 4.170 0.033 0.000 0.309 140 I C -1.427 174.706 176.117 0.027 0.000 1.169 140 I CA 0.197 61.513 61.300 0.025 0.000 1.360 140 I CB 2.465 40.477 38.000 0.020 0.000 1.591 140 I HN -0.241 7.976 8.210 0.012 0.000 0.480 141 G N 0.169 108.980 108.800 0.018 0.000 2.312 141 G HA2 -0.035 3.934 3.960 0.015 0.000 0.347 141 G HA3 -0.035 3.940 3.960 0.026 0.000 0.347 141 G C -2.489 172.418 174.900 0.011 0.000 1.564 141 G CA -0.559 44.552 45.100 0.018 0.000 0.981 141 G HN -0.629 7.668 8.290 0.013 0.000 0.678 142 R N 0.581 121.085 120.500 0.007 0.000 2.647 142 R HA 0.207 4.549 4.340 0.003 0.000 0.295 142 R C -1.037 175.263 176.300 -0.000 0.000 1.267 142 R CA -0.315 55.786 56.100 0.003 0.000 1.386 142 R CB 0.353 30.653 30.300 0.001 0.000 1.309 142 R HN 0.253 8.527 8.270 0.007 0.000 0.692 143 K N -0.194 120.206 120.400 -0.001 0.000 2.568 143 K HA 0.188 4.503 4.320 -0.009 0.000 0.273 143 K C -1.513 175.082 176.600 -0.009 0.000 0.951 143 K CA -0.490 55.792 56.287 -0.008 0.000 0.854 143 K CB 3.467 35.958 32.500 -0.015 0.000 1.424 143 K HN -0.151 8.102 8.250 0.004 0.000 0.427 144 N N 1.075 119.765 118.700 -0.015 0.000 2.239 144 N HA -0.196 4.544 4.740 -0.000 0.000 0.225 144 N C -0.847 174.650 175.510 -0.021 0.000 1.283 144 N CA 1.134 54.175 53.050 -0.014 0.000 0.868 144 N CB 0.370 38.843 38.487 -0.023 0.000 1.098 144 N HN 0.195 8.565 8.380 -0.018 0.000 0.436 145 T N -4.401 110.151 114.554 -0.003 0.000 4.152 145 T HA 0.099 4.413 4.350 -0.059 0.000 0.237 145 T C -1.409 173.318 174.700 0.045 0.000 0.971 145 T CA -0.695 61.408 62.100 0.004 0.000 1.328 145 T CB 0.257 69.162 68.868 0.061 0.000 0.912 145 T HN 0.067 8.315 8.240 0.012 0.000 0.587 146 R N 1.767 122.274 120.500 0.013 0.000 2.543 146 R HA 0.675 5.315 4.340 0.094 -0.244 0.268 146 R C -1.798 174.552 176.300 0.083 0.000 1.067 146 R CA -1.752 54.381 56.100 0.055 0.000 1.142 146 R CB 1.981 32.298 30.300 0.028 0.000 1.110 146 R HN -0.522 7.729 8.270 -0.031 0.000 0.549 147 V N -7.376 112.613 119.914 0.125 0.000 3.159 147 V HA 0.389 4.609 4.120 0.167 0.000 0.308 147 V C -2.066 174.074 176.094 0.076 0.000 1.190 147 V CA -2.576 59.822 62.300 0.164 0.000 1.037 147 V CB 3.633 35.611 31.823 0.259 0.000 1.060 147 V HN -0.482 7.776 8.190 0.112 0.000 0.437 148 R N -0.375 120.140 120.500 0.025 0.000 2.585 148 R HA 0.277 4.617 4.340 0.000 0.000 0.288 148 R C -2.377 173.852 176.300 -0.118 0.000 1.194 148 R CA -0.615 55.472 56.100 -0.022 0.000 1.006 148 R CB 3.282 33.578 30.300 -0.005 0.000 1.229 148 R HN 0.084 8.368 8.270 0.024 0.000 0.412 149 L N 7.864 128.993 121.223 -0.157 0.000 2.361 149 L HA 0.167 4.257 4.340 -0.416 0.000 0.278 149 L C -2.002 174.697 176.870 -0.284 0.000 1.113 149 L CA -0.098 54.537 54.840 -0.342 0.000 0.849 149 L CB 1.663 43.434 42.059 -0.480 0.000 1.155 149 L HN 0.467 8.638 8.230 -0.098 0.000 0.452 150 V N 7.173 126.943 119.914 -0.240 0.000 2.383 150 V HA 0.051 4.177 4.120 0.010 0.000 0.275 150 V C -1.952 174.061 176.094 -0.134 0.000 1.036 150 V CA -1.332 60.948 62.300 -0.032 0.000 0.889 150 V CB -0.005 31.958 31.823 0.234 0.000 0.985 150 V HN -0.007 8.016 8.190 -0.279 0.000 0.459 151 F N 8.619 128.615 119.950 0.077 0.000 2.443 151 F HA 0.348 4.914 4.527 0.066 0.000 0.369 151 F C -1.400 174.432 175.800 0.053 0.000 1.090 151 F CA -1.785 56.248 58.000 0.056 0.000 1.129 151 F CB 1.355 40.370 39.000 0.024 0.000 1.367 151 F HN -0.174 8.103 8.300 0.175 0.128 0.465 152 R N 2.923 123.589 120.500 0.277 0.000 2.621 152 R HA 0.620 5.140 4.340 0.104 -0.118 0.284 152 R C -2.653 173.721 176.300 0.123 0.000 0.998 152 R CA -1.824 54.374 56.100 0.164 0.000 0.895 152 R CB 4.362 34.789 30.300 0.212 0.000 1.195 152 R HN -0.212 8.226 8.270 0.279 0.000 0.450 153 V N 2.622 122.517 119.914 -0.032 0.000 2.448 153 V HA 0.266 4.424 4.120 0.063 0.000 0.295 153 V C -2.124 173.827 176.094 -0.239 0.000 1.025 153 V CA -2.591 59.686 62.300 -0.038 0.000 0.859 153 V CB 3.608 35.417 31.823 -0.023 0.000 0.988 153 V HN -0.138 7.983 8.190 -0.115 0.000 0.431 154 H N 8.440 127.512 119.070 0.003 0.000 2.727 154 H HA 0.359 5.037 4.556 -0.031 -0.141 0.330 154 H C -1.191 174.126 175.328 -0.018 0.000 0.986 154 H CA -1.213 54.824 56.048 -0.018 0.000 1.251 154 H CB 2.312 32.061 29.762 -0.022 0.000 1.493 154 H HN 0.259 8.625 8.280 0.143 0.000 0.515 155 V N 5.902 125.841 119.914 0.042 0.000 2.539 155 V HA 0.249 4.391 4.120 0.037 0.000 0.292 155 V C -1.844 174.267 176.094 0.029 0.000 1.045 155 V CA -4.224 58.096 62.300 0.033 0.000 0.945 155 V CB 3.185 35.029 31.823 0.035 0.000 0.993 155 V HN 0.230 8.406 8.190 -0.023 0.000 0.464 156 P HA 0.247 4.675 4.420 0.013 0.000 0.281 156 P C -1.552 175.751 177.300 0.004 0.000 1.286 156 P CA -0.459 62.647 63.100 0.010 0.000 0.772 156 P CB 0.045 31.747 31.700 0.003 0.000 0.862 157 Q N 1.621 121.422 119.800 0.001 0.000 2.738 157 Q HA 0.262 4.603 4.340 0.001 0.000 0.301 157 Q C -1.562 174.436 176.000 -0.004 0.000 0.901 157 Q CA -1.706 54.096 55.803 -0.002 0.000 0.756 157 Q CB 2.196 30.931 28.738 -0.005 0.000 1.463 157 Q HN 0.063 8.334 8.270 0.001 0.000 0.432 158 P HA 0.075 4.493 4.420 -0.003 0.000 0.211 158 P C 0.093 177.390 177.300 -0.005 0.000 1.188 158 P CA 0.390 63.489 63.100 -0.003 0.000 0.904 158 P CB 0.590 32.291 31.700 0.001 0.000 0.765 159 S N 1.517 117.214 115.700 -0.005 0.000 2.507 159 S HA -0.165 4.303 4.470 -0.004 0.000 0.299 159 S C 0.794 175.382 174.600 -0.019 0.000 1.214 159 S CA 0.569 58.764 58.200 -0.008 0.000 1.137 159 S CB 0.232 63.429 63.200 -0.004 0.000 1.009 159 S HN -0.074 8.235 8.310 -0.002 0.000 0.512 160 G N 3.103 111.895 108.800 -0.014 0.000 2.507 160 G HA2 -0.288 3.663 3.960 -0.014 0.000 0.221 160 G HA3 -0.288 3.668 3.960 -0.007 0.000 0.221 160 G C 0.139 175.018 174.900 -0.035 0.000 1.119 160 G CA 1.135 46.226 45.100 -0.016 0.000 0.751 160 G HN 0.291 8.576 8.290 -0.008 0.000 0.574 161 R N 1.044 121.526 120.500 -0.030 0.000 3.247 161 R HA 0.042 4.362 4.340 -0.034 0.000 0.212 161 R C -0.680 175.569 176.300 -0.086 0.000 1.604 161 R CA 0.572 56.652 56.100 -0.033 0.000 1.279 161 R CB -0.729 29.573 30.300 0.003 0.000 1.277 161 R HN 0.001 8.231 8.270 -0.017 0.030 0.669 162 T N 1.133 115.557 114.554 -0.215 0.000 3.451 162 T HA 0.127 4.260 4.350 -0.361 0.000 0.201 162 T C -1.594 172.468 174.700 -1.064 0.000 0.965 162 T CA 0.293 62.136 62.100 -0.427 0.000 1.088 162 T CB 2.775 71.514 68.868 -0.214 0.000 1.251 162 T HN 0.111 8.201 8.240 -0.198 0.031 0.325 163 L N 3.191 123.992 121.223 -0.703 0.000 2.555 163 L HA 0.314 3.962 4.340 -1.154 0.000 0.264 163 L C -2.810 173.834 176.870 -0.377 0.000 0.972 163 L CA 0.079 54.453 54.840 -0.776 0.000 0.876 163 L CB 1.057 42.799 42.059 -0.528 0.000 1.216 163 L HN -0.142 7.858 8.230 -0.384 0.000 0.415 164 S N 6.661 122.151 115.700 -0.350 0.000 2.545 164 S HA 0.740 5.068 4.470 -0.731 -0.296 0.259 164 S C -1.964 172.411 174.600 -0.374 0.000 1.092 164 S CA -0.559 57.354 58.200 -0.478 0.000 1.054 164 S CB 1.484 64.549 63.200 -0.224 0.000 1.146 164 S HN -0.058 8.063 8.310 -0.316 0.000 0.447 165 L N 4.696 125.677 121.223 -0.402 0.000 2.371 165 L HA 0.381 4.661 4.340 -0.099 0.000 0.262 165 L C -2.208 174.610 176.870 -0.086 0.000 1.006 165 L CA -1.269 53.474 54.840 -0.162 0.000 0.818 165 L CB 4.506 46.508 42.059 -0.096 0.000 1.354 165 L HN 0.021 7.939 8.230 -0.519 0.000 0.415 166 Q N 1.269 121.083 119.800 0.024 0.000 2.353 166 Q HA 0.178 4.593 4.340 0.125 0.000 0.268 166 Q C -1.915 174.143 176.000 0.098 0.000 1.045 166 Q CA -0.720 55.142 55.803 0.100 0.000 0.811 166 Q CB 2.799 31.616 28.738 0.132 0.000 1.305 166 Q HN 0.161 8.444 8.270 0.021 0.000 0.447 167 V N 0.942 120.939 119.914 0.139 0.000 2.554 167 V HA 0.174 4.359 4.120 0.109 0.000 0.258 167 V C -1.417 174.771 176.094 0.156 0.000 0.919 167 V CA -0.816 61.573 62.300 0.148 0.000 0.910 167 V CB 1.795 33.727 31.823 0.181 0.000 1.100 167 V HN 0.226 8.433 8.190 0.168 0.084 0.491 168 A N 4.699 127.583 122.820 0.107 0.000 2.316 168 A HA 0.625 5.198 4.320 0.057 -0.219 0.311 168 A C -0.297 177.325 177.584 0.062 0.000 1.339 168 A CA -0.954 51.128 52.037 0.074 0.000 0.960 168 A CB 0.815 19.858 19.000 0.071 0.000 1.152 168 A HN 0.113 8.321 8.150 0.097 0.000 0.547 169 S N 4.569 120.302 115.700 0.055 0.000 2.546 169 S HA 0.167 4.666 4.470 0.049 0.000 0.272 169 S C -1.981 172.644 174.600 0.042 0.000 1.140 169 S CA 0.163 58.396 58.200 0.054 0.000 0.920 169 S CB 2.297 65.540 63.200 0.071 0.000 1.083 169 S HN -0.255 8.082 8.310 0.045 0.000 0.476 170 N N 2.689 121.416 118.700 0.045 0.000 4.308 170 N HA 0.134 4.910 4.740 0.060 0.000 0.168 170 N C -2.891 172.657 175.510 0.063 0.000 1.348 170 N CA 0.206 53.288 53.050 0.052 0.000 0.882 170 N CB 2.533 41.041 38.487 0.034 0.000 1.713 170 N HN 0.373 8.781 8.380 0.047 0.000 0.818 171 P HA 0.185 4.643 4.420 0.063 0.000 0.237 171 P C -1.936 175.419 177.300 0.092 0.000 1.788 171 P CA -0.140 63.003 63.100 0.072 0.000 1.061 171 P CB -1.296 30.444 31.700 0.067 0.000 1.967 172 I N 4.837 125.466 120.570 0.099 0.000 2.620 172 I HA 0.291 4.546 4.170 0.142 0.000 0.280 172 I C -1.560 174.626 176.117 0.115 0.000 1.143 172 I CA -2.179 59.198 61.300 0.128 0.000 1.163 172 I CB -1.063 37.027 38.000 0.150 0.000 1.461 172 I HN -0.178 8.043 8.210 0.087 0.042 0.530 173 E N 5.687 125.948 120.200 0.101 0.000 2.249 173 E HA 0.086 4.479 4.350 0.071 0.000 0.280 173 E C -0.658 175.998 176.600 0.093 0.000 1.016 173 E CA 0.552 57.000 56.400 0.080 0.000 0.830 173 E CB 1.088 30.825 29.700 0.060 0.000 1.081 173 E HN -0.055 8.365 8.360 0.101 0.000 0.395 174 C N 2.653 122.002 119.300 0.082 0.000 2.484 174 C HA 0.173 4.698 4.460 0.108 0.000 0.409 174 C C -1.154 173.866 174.990 0.051 0.000 1.434 174 C CA -1.542 57.528 59.018 0.086 0.000 1.913 174 C CB 2.581 30.379 27.740 0.096 0.000 2.028 174 C HN 0.266 8.536 8.230 0.067 0.000 0.516 175 S N -0.961 114.761 115.700 0.036 0.000 2.683 175 S HA 0.169 4.649 4.470 0.016 0.000 0.269 175 S C -2.113 172.487 174.600 0.000 0.000 1.165 175 S CA -0.452 57.757 58.200 0.016 0.000 0.840 175 S CB 1.018 64.225 63.200 0.013 0.000 1.169 175 S HN 0.138 8.473 8.310 0.040 0.000 0.490 176 Q N 0.385 120.182 119.800 -0.005 0.000 2.386 176 Q HA -0.131 4.203 4.340 -0.009 0.000 0.282 176 Q C 0.807 176.789 176.000 -0.031 0.000 1.050 176 Q CA 1.358 57.154 55.803 -0.013 0.000 0.918 176 Q CB 0.114 28.846 28.738 -0.010 0.000 1.266 176 Q HN 0.212 8.481 8.270 -0.002 0.000 0.423 177 R N -2.771 117.706 120.500 -0.038 0.000 3.484 177 R HA -0.483 3.818 4.340 -0.064 0.000 0.260 177 R C -1.256 174.965 176.300 -0.131 0.000 1.053 177 R CA 0.731 56.791 56.100 -0.068 0.000 0.703 177 R CB -2.015 28.256 30.300 -0.050 0.000 1.089 177 R HN 0.610 8.865 8.270 -0.025 0.000 0.459 178 S N 0.000 115.618 115.700 -0.137 0.000 2.498 178 S HA 0.000 4.230 4.470 -0.399 0.000 0.327 178 S CA 0.000 58.077 58.200 -0.204 0.000 1.107 178 S CB 0.000 63.158 63.200 -0.071 0.000 0.593 178 S HN 0.000 8.240 8.310 -0.080 0.022 0.517