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 2afj_1_A DATA FIRST_RESID 6 DATA SEQUENCE GSSARQSTPT SQALYSDFSP PEGLEELLSA PPPDLVAQRH HGWNPKDCSE DATA SEQUENCE NIDVKEGGLC FERRPVAQST DGVRGKRGYS RGLHAWEISW PLEQRGTHAV DATA SEQUENCE VGVATALAPL QADHYAALLG SNSESWGWDI GRGKLYHQSK GLEAPQYPAG DATA SEQUENCE PQGEQLVVPE RLLVVLDMEE GTLGYSIGGT YLGPAFRGLK GRTLYPSVSA DATA SEQUENCE VWGQCQVRIR YMGERRVEET RRIHRD 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 6 G C 0.000 174.897 174.900 -0.006 0.000 0.946 6 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 7 S N 0.260 115.957 115.700 -0.005 0.000 2.828 7 S HA 0.405 4.873 4.470 -0.003 0.000 0.240 7 S C 0.175 174.773 174.600 -0.003 0.000 0.912 7 S CA 0.178 58.376 58.200 -0.004 0.000 1.100 7 S CB 1.029 64.226 63.200 -0.004 0.000 1.271 7 S HN -0.029 8.278 8.310 -0.006 0.000 0.476 8 S N 0.951 116.649 115.700 -0.003 0.000 2.503 8 S HA 0.043 4.511 4.470 -0.003 0.000 0.217 8 S C -0.150 174.449 174.600 -0.002 0.000 0.999 8 S CA 0.767 58.965 58.200 -0.003 0.000 0.914 8 S CB 0.575 63.773 63.200 -0.003 0.000 0.782 8 S HN -0.062 8.246 8.310 -0.003 0.000 0.520 9 A N 1.710 124.529 122.820 -0.001 0.000 2.352 9 A HA 0.355 4.675 4.320 -0.000 0.000 0.299 9 A C -0.685 176.899 177.584 0.000 0.000 1.160 9 A CA -0.600 51.436 52.037 -0.000 0.000 0.933 9 A CB 1.181 20.181 19.000 -0.000 0.000 1.387 9 A HN -0.485 7.664 8.150 -0.002 0.000 0.487 10 R N -0.621 119.879 120.500 0.001 0.000 2.033 10 R HA -0.062 4.279 4.340 0.001 0.000 0.219 10 R C 0.542 176.843 176.300 0.002 0.000 1.223 10 R CA 0.786 56.887 56.100 0.001 0.000 0.971 10 R CB -0.057 30.244 30.300 0.002 0.000 0.855 10 R HN 0.185 8.455 8.270 0.001 0.000 0.452 11 Q N 1.063 120.865 119.800 0.002 0.000 2.339 11 Q HA -0.160 4.182 4.340 0.004 0.000 0.308 11 Q C -1.042 174.960 176.000 0.003 0.000 1.097 11 Q CA 0.594 56.399 55.803 0.003 0.000 1.007 11 Q CB 0.558 29.298 28.738 0.004 0.000 1.051 11 Q HN 0.181 8.453 8.270 0.002 0.000 0.381 12 S N 3.858 119.560 115.700 0.004 0.000 3.137 12 S HA 0.305 4.776 4.470 0.003 0.000 0.292 12 S C -1.447 173.156 174.600 0.005 0.000 1.041 12 S CA -0.844 57.358 58.200 0.003 0.000 0.956 12 S CB 1.786 64.987 63.200 0.002 0.000 1.360 12 S HN -0.101 8.212 8.310 0.004 0.000 0.690 13 T N 0.740 115.297 114.554 0.005 0.000 3.071 13 T HA 0.308 4.664 4.350 0.009 0.000 0.311 13 T C -2.377 172.328 174.700 0.007 0.000 1.042 13 T CA -1.706 60.398 62.100 0.007 0.000 1.028 13 T CB 0.815 69.688 68.868 0.008 0.000 1.068 13 T HN -0.263 7.979 8.240 0.003 0.000 0.451 14 P HA 0.161 4.586 4.420 0.007 0.000 0.275 14 P C -0.891 176.416 177.300 0.010 0.000 1.276 14 P CA -0.421 62.684 63.100 0.009 0.000 0.782 14 P CB 0.081 31.788 31.700 0.011 0.000 0.851 15 T N 4.214 118.772 114.554 0.007 0.000 3.390 15 T HA 0.200 4.556 4.350 0.010 0.000 0.315 15 T C -0.680 174.024 174.700 0.006 0.000 1.799 15 T CA -0.748 61.356 62.100 0.006 0.000 1.553 15 T CB -0.371 68.496 68.868 -0.002 0.000 1.002 15 T HN 0.179 8.422 8.240 0.005 0.000 0.715 16 S N 2.963 118.669 115.700 0.011 0.000 2.707 16 S HA 0.173 4.649 4.470 0.009 0.000 0.303 16 S C -0.559 174.051 174.600 0.018 0.000 1.132 16 S CA 0.586 58.793 58.200 0.012 0.000 1.046 16 S CB 1.242 64.449 63.200 0.012 0.000 1.004 16 S HN 0.085 8.403 8.310 0.014 0.000 0.483 17 Q N 6.746 126.557 119.800 0.019 0.000 3.244 17 Q HA 0.086 4.443 4.340 0.029 0.000 0.249 17 Q C -1.176 174.843 176.000 0.032 0.000 0.951 17 Q CA 0.185 56.004 55.803 0.027 0.000 0.740 17 Q CB 0.737 29.491 28.738 0.027 0.000 1.334 17 Q HN 0.207 8.487 8.270 0.015 0.000 0.448 18 A N 2.584 125.424 122.820 0.033 0.000 2.507 18 A HA -0.044 4.300 4.320 0.039 0.000 0.281 18 A C -0.701 176.916 177.584 0.054 0.000 1.154 18 A CA 0.802 52.863 52.037 0.040 0.000 0.828 18 A CB -0.735 18.286 19.000 0.035 0.000 1.069 18 A HN 0.349 8.516 8.150 0.029 0.000 0.522 19 L N 1.929 123.194 121.223 0.070 0.000 2.845 19 L HA 0.043 4.445 4.340 0.104 0.000 0.311 19 L C -0.919 176.049 176.870 0.164 0.000 0.788 19 L CA 0.434 55.338 54.840 0.106 0.000 1.111 19 L CB 0.873 42.989 42.059 0.093 0.000 1.696 19 L HN -0.063 8.206 8.230 0.064 0.000 0.343 20 Y N 0.857 121.179 120.300 0.036 0.000 2.762 20 Y HA 0.234 4.807 4.550 0.038 0.000 0.218 20 Y C -0.841 175.087 175.900 0.046 0.000 0.960 20 Y CA 0.358 58.481 58.100 0.040 0.000 1.070 20 Y CB 0.735 39.218 38.460 0.039 0.000 1.045 20 Y HN 0.102 8.539 8.280 0.262 0.000 0.466 21 S N 0.358 115.746 115.700 -0.520 0.000 2.533 21 S HA 0.096 4.420 4.470 -0.243 0.000 0.271 21 S C -1.615 172.911 174.600 -0.125 0.000 1.143 21 S CA -0.139 57.800 58.200 -0.435 0.000 0.891 21 S CB 0.572 63.275 63.200 -0.828 0.000 1.105 21 S HN -0.150 8.040 8.310 -0.201 0.000 0.468 22 D N 2.910 123.307 120.400 -0.005 0.000 3.361 22 D HA 0.030 4.710 4.640 0.066 0.000 0.246 22 D C -1.200 175.184 176.300 0.140 0.000 1.395 22 D CA 0.019 54.060 54.000 0.069 0.000 0.839 22 D CB -0.810 40.032 40.800 0.070 0.000 1.469 22 D HN 0.013 8.385 8.370 0.003 0.000 0.636 23 F N 1.587 121.522 119.950 -0.024 0.000 2.100 23 F HA 0.078 4.600 4.527 -0.008 0.000 0.280 23 F C -0.662 175.139 175.800 0.001 0.000 1.276 23 F CA -0.338 57.657 58.000 -0.009 0.000 1.109 23 F CB 0.497 39.492 39.000 -0.008 0.000 0.982 23 F HN -0.010 8.438 8.300 0.247 0.000 0.506 24 S N 0.994 116.311 115.700 -0.640 0.000 2.667 24 S HA 0.332 4.552 4.470 -0.417 0.000 0.304 24 S C -2.494 171.975 174.600 -0.220 0.000 1.135 24 S CA -1.755 56.099 58.200 -0.576 0.000 1.125 24 S CB 1.218 63.818 63.200 -0.999 0.000 0.996 24 S HN -0.119 7.956 8.310 -0.393 0.000 0.474 25 P HA 0.375 4.783 4.420 -0.021 0.000 0.276 25 P C -2.396 174.870 177.300 -0.057 0.000 1.252 25 P CA -1.356 61.714 63.100 -0.050 0.000 0.802 25 P CB -0.441 31.244 31.700 -0.024 0.000 1.035 26 P HA 0.200 4.595 4.420 -0.041 0.000 0.274 26 P C -1.215 176.066 177.300 -0.031 0.000 1.237 26 P CA -0.108 62.972 63.100 -0.033 0.000 0.793 26 P CB 1.001 32.688 31.700 -0.023 0.000 0.977 27 E N -0.699 119.483 120.200 -0.030 0.000 2.847 27 E HA -0.035 4.303 4.350 -0.021 0.000 0.233 27 E C -1.145 175.441 176.600 -0.023 0.000 1.052 27 E CA 0.413 56.798 56.400 -0.026 0.000 1.179 27 E CB 0.387 30.069 29.700 -0.030 0.000 1.080 27 E HN -0.185 8.157 8.360 -0.031 0.000 0.401 28 G N -1.177 107.610 108.800 -0.021 0.000 4.111 28 G HA2 -0.164 3.786 3.960 -0.016 0.000 0.216 28 G HA3 -0.164 3.784 3.960 -0.020 0.000 0.216 28 G C -0.416 174.473 174.900 -0.018 0.000 0.822 28 G CA 0.042 45.131 45.100 -0.019 0.000 0.845 28 G HN -0.196 8.081 8.290 -0.021 0.000 0.533 29 L N 0.585 121.797 121.223 -0.020 0.000 2.044 29 L HA 0.169 4.499 4.340 -0.018 0.000 0.205 29 L C 1.356 178.217 176.870 -0.015 0.000 1.075 29 L CA 2.115 56.943 54.840 -0.019 0.000 0.747 29 L CB -0.050 41.995 42.059 -0.023 0.000 0.903 29 L HN -0.504 7.713 8.230 -0.022 0.000 0.435 30 E N 0.111 120.302 120.200 -0.014 0.000 2.187 30 E HA -0.508 3.837 4.350 -0.008 0.000 0.199 30 E C 1.750 178.344 176.600 -0.009 0.000 1.004 30 E CA 3.742 60.135 56.400 -0.010 0.000 0.813 30 E CB -0.862 28.832 29.700 -0.010 0.000 0.736 30 E HN 0.615 8.965 8.360 -0.016 0.000 0.468 31 E N -1.498 118.695 120.200 -0.011 0.000 2.265 31 E HA -0.236 4.109 4.350 -0.009 0.000 0.196 31 E C 2.206 178.799 176.600 -0.010 0.000 0.996 31 E CA 2.618 59.012 56.400 -0.010 0.000 0.832 31 E CB -0.717 28.976 29.700 -0.011 0.000 0.756 31 E HN 0.329 8.660 8.360 -0.012 0.021 0.491 32 L N -2.231 118.985 121.223 -0.011 0.000 2.209 32 L HA -0.117 4.216 4.340 -0.011 0.000 0.207 32 L C 1.323 178.186 176.870 -0.012 0.000 1.094 32 L CA 1.877 56.710 54.840 -0.012 0.000 0.790 32 L CB -0.084 41.967 42.059 -0.013 0.000 0.932 32 L HN 0.436 8.453 8.230 -0.012 0.206 0.447 33 L N -4.825 116.392 121.223 -0.010 0.000 2.162 33 L HA -0.000 4.333 4.340 -0.011 0.000 0.205 33 L C 2.028 178.895 176.870 -0.005 0.000 1.086 33 L CA 2.166 57.002 54.840 -0.007 0.000 0.778 33 L CB -0.034 42.025 42.059 -0.000 0.000 0.928 33 L HN -0.583 7.529 8.230 -0.010 0.112 0.446 34 S N -0.007 115.690 115.700 -0.005 0.000 2.407 34 S HA -0.343 4.127 4.470 -0.001 0.000 0.235 34 S C 0.763 175.359 174.600 -0.007 0.000 1.036 34 S CA 2.401 60.599 58.200 -0.004 0.000 1.013 34 S CB -0.019 63.177 63.200 -0.006 0.000 0.820 34 S HN 0.631 8.812 8.310 -0.006 0.126 0.476 35 A N 1.147 123.961 122.820 -0.009 0.000 2.267 35 A HA 0.159 4.472 4.320 -0.011 0.000 0.276 35 A C -2.317 175.258 177.584 -0.014 0.000 1.336 35 A CA -1.600 50.430 52.037 -0.012 0.000 0.815 35 A CB -0.566 18.427 19.000 -0.012 0.000 1.256 35 A HN -0.768 7.343 8.150 -0.010 0.033 0.512 36 P HA 0.211 4.619 4.420 -0.021 0.000 0.269 36 P C -2.435 174.849 177.300 -0.027 0.000 1.263 36 P CA -1.129 61.958 63.100 -0.021 0.000 0.813 36 P CB -0.701 30.988 31.700 -0.020 0.000 0.868 37 P HA 0.353 4.749 4.420 -0.040 0.000 0.288 37 P C -2.189 175.074 177.300 -0.061 0.000 1.363 37 P CA -2.462 60.609 63.100 -0.047 0.000 0.837 37 P CB 0.468 32.135 31.700 -0.054 0.000 0.981 38 P HA 0.027 4.414 4.420 -0.055 0.000 0.277 38 P C -0.567 176.689 177.300 -0.073 0.000 1.240 38 P CA -0.545 62.521 63.100 -0.056 0.000 0.798 38 P CB 0.642 32.317 31.700 -0.041 0.000 0.979 39 D N 0.322 120.675 120.400 -0.079 0.000 3.570 39 D HA -0.259 4.313 4.640 -0.114 0.000 0.192 39 D C -1.160 175.076 176.300 -0.107 0.000 1.244 39 D CA 1.456 55.397 54.000 -0.098 0.000 0.628 39 D CB -1.057 39.694 40.800 -0.081 0.000 0.998 39 D HN 0.207 8.535 8.370 -0.070 0.000 0.439 40 L N -2.840 118.302 121.223 -0.135 0.000 2.406 40 L HA 0.202 4.636 4.340 -0.105 -0.157 0.228 40 L C -0.419 176.315 176.870 -0.226 0.000 1.081 40 L CA 1.587 56.350 54.840 -0.129 0.000 1.089 40 L CB 0.644 42.655 42.059 -0.080 0.000 2.191 40 L HN -0.381 7.755 8.230 -0.154 0.001 0.520 41 V N 0.304 120.048 119.914 -0.283 0.000 2.599 41 V HA -0.257 3.520 4.120 -0.571 0.000 0.245 41 V C 0.865 176.356 176.094 -1.005 0.000 1.046 41 V CA 3.378 65.347 62.300 -0.552 0.000 1.065 41 V CB 0.553 32.246 31.823 -0.218 0.000 0.703 41 V HN -0.479 7.591 8.190 -0.199 0.000 0.464 42 A N -1.212 121.330 122.820 -0.464 0.000 1.911 42 A HA -0.146 3.993 4.320 -0.301 0.000 0.212 42 A C 1.086 178.542 177.584 -0.214 0.000 1.189 42 A CA 2.760 54.618 52.037 -0.299 0.000 0.639 42 A CB -0.102 18.815 19.000 -0.138 0.000 0.839 42 A HN 0.113 8.080 8.150 -0.304 0.000 0.449 43 Q N -1.274 118.403 119.800 -0.206 0.000 2.224 43 Q HA -0.309 3.931 4.340 -0.165 0.000 0.203 43 Q C 1.577 177.447 176.000 -0.216 0.000 0.970 43 Q CA 3.023 58.714 55.803 -0.186 0.000 0.865 43 Q CB -0.494 28.139 28.738 -0.175 0.000 0.922 43 Q HN 0.293 8.507 8.270 -0.212 -0.070 0.445 44 R N -1.438 118.928 120.500 -0.224 0.000 2.055 44 R HA -0.151 4.288 4.340 -0.141 -0.184 0.226 44 R C 0.704 177.026 176.300 0.037 0.000 1.135 44 R CA 1.812 57.853 56.100 -0.098 0.000 0.959 44 R CB -0.426 29.872 30.300 -0.003 0.000 0.854 44 R HN -0.783 7.268 8.270 -0.316 0.030 0.431 45 H N -5.845 113.175 119.070 -0.082 0.000 2.518 45 H HA -0.213 4.501 4.556 -0.088 -0.211 0.289 45 H C 1.461 176.721 175.328 -0.114 0.000 1.051 45 H CA 1.465 57.456 56.048 -0.095 0.000 1.280 45 H CB 0.156 29.863 29.762 -0.092 0.000 1.380 45 H HN -0.622 7.424 8.280 -0.389 0.000 0.566 46 H N -2.245 116.750 119.070 -0.125 0.000 2.553 46 H HA -0.066 4.399 4.556 -0.152 0.000 0.276 46 H C 0.624 175.734 175.328 -0.363 0.000 0.979 46 H CA -0.178 55.749 56.048 -0.201 0.000 1.268 46 H CB 1.562 31.206 29.762 -0.195 0.000 1.450 46 H HN -0.638 7.556 8.280 0.015 0.096 0.527 47 G N -0.521 108.037 108.800 -0.403 0.000 2.937 47 G HA2 -0.116 2.958 3.960 -1.477 0.000 0.160 47 G HA3 -0.116 3.105 3.960 -1.461 -0.138 0.160 47 G C -0.851 173.500 174.900 -0.915 0.000 1.863 47 G CA -0.313 44.054 45.100 -1.222 0.000 0.941 47 G HN -0.496 7.413 8.290 -0.292 0.205 0.419 48 W N -0.696 120.563 121.300 -0.069 0.000 1.928 48 W HA 0.092 4.740 4.660 -0.020 0.000 0.341 48 W C -1.551 174.981 176.519 0.021 0.000 0.789 48 W CA -2.153 55.157 57.345 -0.059 0.000 1.680 48 W CB -1.726 27.609 29.460 -0.209 0.000 1.882 48 W HN -0.145 7.069 8.180 -1.609 0.000 0.315 49 N N 2.160 120.916 118.700 0.094 0.000 2.469 49 N HA 0.200 5.013 4.740 0.122 0.000 0.253 49 N C -0.955 174.544 175.510 -0.020 0.000 0.970 49 N CA -3.118 49.968 53.050 0.060 0.000 0.940 49 N CB 2.051 40.556 38.487 0.030 0.000 1.128 49 N HN -0.596 7.762 8.380 0.032 0.041 0.503 50 P HA 0.067 4.387 4.420 -0.167 0.000 0.214 50 P C -0.883 176.337 177.300 -0.135 0.000 1.163 50 P CA 1.153 64.191 63.100 -0.104 0.000 0.881 50 P CB 0.539 32.202 31.700 -0.063 0.000 0.775 51 K N -4.268 116.076 120.400 -0.094 0.000 2.914 51 K HA 0.002 4.231 4.320 -0.152 0.000 0.306 51 K C 0.062 176.612 176.600 -0.083 0.000 2.946 51 K CA 0.533 56.752 56.287 -0.114 0.000 1.551 51 K CB -0.097 32.338 32.500 -0.109 0.000 3.258 51 K HN -0.049 8.172 8.250 -0.049 0.000 0.397 52 D N 2.417 122.786 120.400 -0.052 0.000 2.488 52 D HA -0.069 4.546 4.640 -0.042 0.000 0.260 52 D C -1.094 175.204 176.300 -0.004 0.000 1.273 52 D CA 0.794 54.776 54.000 -0.028 0.000 0.912 52 D CB -2.375 38.419 40.800 -0.010 0.000 0.982 52 D HN 0.161 8.573 8.370 -0.049 -0.071 0.492 53 C N -2.830 116.468 119.300 -0.004 0.000 2.484 53 C HA 0.060 4.573 4.460 0.048 -0.025 0.409 53 C C -0.935 174.067 174.990 0.019 0.000 1.434 53 C CA -0.728 58.312 59.018 0.035 0.000 1.913 53 C CB 2.805 30.590 27.740 0.076 0.000 2.028 53 C HN 0.015 8.030 8.230 -0.029 0.198 0.516 54 S N 0.235 115.948 115.700 0.022 0.000 2.752 54 S HA -0.245 4.191 4.470 -0.057 0.000 0.329 54 S C 0.041 174.659 174.600 0.031 0.000 1.204 54 S CA 1.587 59.770 58.200 -0.030 0.000 1.252 54 S CB -0.476 62.631 63.200 -0.154 0.000 1.053 54 S HN 0.239 8.575 8.310 0.044 0.000 0.533 55 E N 4.824 125.034 120.200 0.017 0.000 2.290 55 E HA -0.084 4.352 4.350 0.143 0.000 0.197 55 E C 0.501 177.150 176.600 0.082 0.000 0.948 55 E CA 1.199 57.642 56.400 0.073 0.000 0.895 55 E CB 0.577 30.277 29.700 0.000 0.000 0.865 55 E HN -0.355 8.000 8.360 -0.008 0.000 0.486 56 N N -2.376 116.334 118.700 0.017 0.000 2.550 56 N HA -0.170 4.577 4.740 0.012 0.000 0.186 56 N C -0.365 175.134 175.510 -0.018 0.000 1.110 56 N CA 1.685 54.734 53.050 -0.002 0.000 0.912 56 N CB -0.010 38.460 38.487 -0.027 0.000 0.968 56 N HN 0.140 8.517 8.380 -0.005 0.000 0.448 57 I N -7.895 112.664 120.570 -0.019 0.000 2.982 57 I HA 0.458 4.605 4.170 -0.039 0.000 0.312 57 I C -2.000 174.132 176.117 0.025 0.000 1.041 57 I CA -2.910 58.372 61.300 -0.030 0.000 1.053 57 I CB 3.323 41.258 38.000 -0.108 0.000 1.248 57 I HN -0.894 7.244 8.210 -0.006 0.069 0.471 58 D N 1.541 121.959 120.400 0.031 0.000 2.256 58 D HA 0.200 4.984 4.640 -0.003 -0.146 0.240 58 D C -1.964 174.393 176.300 0.095 0.000 1.062 58 D CA -1.134 52.882 54.000 0.026 0.000 0.832 58 D CB 2.633 43.426 40.800 -0.012 0.000 1.135 58 D HN 0.547 8.817 8.370 0.018 0.110 0.484 59 V N 3.454 123.401 119.914 0.054 0.000 2.638 59 V HA 0.549 4.936 4.120 0.121 -0.193 0.306 59 V C -2.435 173.501 176.094 -0.263 0.000 1.052 59 V CA -2.211 60.095 62.300 0.010 0.000 0.885 59 V CB 3.486 35.357 31.823 0.080 0.000 0.999 59 V HN 0.386 8.514 8.190 -0.011 0.056 0.424 60 K N 7.278 127.551 120.400 -0.211 0.000 2.477 60 K HA 0.558 4.586 4.320 -0.487 0.000 0.255 60 K C -0.730 175.766 176.600 -0.173 0.000 0.952 60 K CA -2.696 53.408 56.287 -0.305 0.000 0.826 60 K CB 3.703 36.103 32.500 -0.166 0.000 1.331 60 K HN -0.256 7.961 8.250 -0.056 0.000 0.437 61 E N 3.781 123.837 120.200 -0.240 0.000 4.034 61 E HA -0.226 4.541 4.350 0.696 0.000 0.567 61 E C 0.828 177.501 176.600 0.122 0.000 0.339 61 E CA 1.554 58.049 56.400 0.158 0.000 3.626 61 E CB -0.422 29.317 29.700 0.065 0.000 2.218 61 E HN 0.530 8.643 8.360 -0.412 0.000 0.331 62 G N -2.000 106.845 108.800 0.074 0.000 2.380 62 G HA2 -0.250 3.730 3.960 0.035 0.000 0.298 62 G HA3 -0.250 3.718 3.960 0.014 0.000 0.298 62 G C -0.740 174.196 174.900 0.060 0.000 0.989 62 G CA 0.450 45.575 45.100 0.042 0.000 0.836 62 G HN 0.258 8.589 8.290 0.069 0.000 0.511 63 G N -2.021 106.836 108.800 0.095 0.000 2.743 63 G HA2 -0.249 3.736 3.960 0.041 0.000 0.192 63 G HA3 -0.249 3.742 3.960 0.052 0.000 0.192 63 G C -0.340 174.615 174.900 0.092 0.000 1.077 63 G CA -0.739 44.401 45.100 0.067 0.000 0.956 63 G HN -0.397 7.935 8.290 0.143 0.044 0.556 64 L N 0.389 121.683 121.223 0.118 0.000 4.094 64 L HA -0.372 4.243 4.340 0.460 0.000 0.466 64 L C -1.322 175.600 176.870 0.087 0.000 0.991 64 L CA 0.066 54.951 54.840 0.075 0.000 0.821 64 L CB -1.421 40.443 42.059 -0.326 0.000 1.201 64 L HN -0.001 8.298 8.230 0.116 0.000 0.757 65 C N 3.682 123.104 119.300 0.203 0.000 2.344 65 C HA 0.202 4.737 4.460 0.124 0.000 0.326 65 C C -2.120 172.990 174.990 0.200 0.000 1.201 65 C CA -2.148 56.959 59.018 0.149 0.000 1.410 65 C CB 1.527 29.335 27.740 0.114 0.000 2.070 65 C HN -0.135 8.287 8.230 0.320 0.000 0.445 66 F N 7.188 127.228 119.950 0.150 0.000 2.427 66 F HA 0.239 4.845 4.527 0.132 0.000 0.352 66 F C -1.053 174.773 175.800 0.043 0.000 1.100 66 F CA -0.917 57.148 58.000 0.108 0.000 1.191 66 F CB 1.298 40.348 39.000 0.083 0.000 1.128 66 F HN 0.636 9.121 8.300 0.310 0.000 0.533 67 E N 5.534 125.904 120.200 0.283 0.000 2.234 67 E HA 0.309 4.713 4.350 0.091 0.000 0.266 67 E C -2.266 174.342 176.600 0.014 0.000 0.877 67 E CA -1.306 55.156 56.400 0.105 0.000 0.758 67 E CB 3.427 33.174 29.700 0.077 0.000 1.170 67 E HN 0.901 9.384 8.360 0.371 0.099 0.415 68 R N 1.311 121.780 120.500 -0.050 0.000 2.808 68 R HA 0.352 4.641 4.340 -0.086 0.000 0.272 68 R C -0.987 175.268 176.300 -0.075 0.000 0.995 68 R CA -1.883 54.154 56.100 -0.106 0.000 0.917 68 R CB 2.193 32.353 30.300 -0.233 0.000 1.217 68 R HN 0.335 8.583 8.270 -0.036 0.000 0.471 69 R N 0.947 121.408 120.500 -0.065 0.000 2.041 69 R HA 0.173 4.500 4.340 -0.023 0.000 0.221 69 R C -0.528 175.751 176.300 -0.036 0.000 1.196 69 R CA 1.297 57.374 56.100 -0.037 0.000 0.969 69 R CB -2.160 28.122 30.300 -0.030 0.000 0.858 69 R HN 0.639 8.865 8.270 -0.073 0.000 0.444 70 P HA 0.042 4.462 4.420 0.000 0.000 0.224 70 P C -0.625 176.652 177.300 -0.039 0.000 1.190 70 P CA 0.133 63.219 63.100 -0.024 0.000 0.644 70 P CB 0.840 32.525 31.700 -0.024 0.000 0.895 71 V N -4.564 115.320 119.914 -0.051 0.000 3.159 71 V HA 0.188 4.190 4.120 -0.195 0.000 0.308 71 V C 0.453 176.421 176.094 -0.210 0.000 1.190 71 V CA -1.845 60.402 62.300 -0.089 0.000 1.037 71 V CB 3.275 35.181 31.823 0.137 0.000 1.060 71 V HN -0.601 7.728 8.190 -0.036 -0.160 0.437 72 A N 2.120 124.665 122.820 -0.458 0.000 2.104 72 A HA -0.309 3.791 4.320 -0.562 -0.118 0.223 72 A C 0.972 178.503 177.584 -0.087 0.000 1.164 72 A CA 2.986 54.763 52.037 -0.434 0.000 0.659 72 A CB -0.413 18.302 19.000 -0.475 0.000 0.808 72 A HN 0.454 8.181 8.150 -0.704 0.000 0.465 73 Q N -4.569 115.262 119.800 0.051 0.000 2.268 73 Q HA -0.299 4.154 4.340 0.188 0.000 0.213 73 Q C 0.814 176.845 176.000 0.052 0.000 0.995 73 Q CA 2.512 58.392 55.803 0.129 0.000 0.901 73 Q CB -0.108 28.742 28.738 0.187 0.000 0.921 73 Q HN 0.183 8.452 8.270 0.091 0.055 0.421 74 S N -5.725 109.964 115.700 -0.018 0.000 2.874 74 S HA 0.238 4.700 4.470 -0.012 0.000 0.271 74 S C 1.154 175.704 174.600 -0.083 0.000 1.061 74 S CA 0.888 59.069 58.200 -0.033 0.000 1.029 74 S CB 2.233 65.420 63.200 -0.022 0.000 0.925 74 S HN -0.256 7.993 8.310 -0.053 0.030 0.459 75 T N 0.753 115.231 114.554 -0.127 0.000 2.698 75 T HA -0.258 4.016 4.350 -0.127 0.000 0.260 75 T C -0.408 174.132 174.700 -0.266 0.000 1.044 75 T CA 3.234 65.231 62.100 -0.172 0.000 1.149 75 T CB 0.583 69.341 68.868 -0.183 0.000 0.864 75 T HN -0.536 7.632 8.240 -0.120 0.000 0.419 76 D N 0.428 120.601 120.400 -0.378 0.000 2.277 76 D HA -0.033 4.288 4.640 -0.532 0.000 0.250 76 D C 0.121 176.232 176.300 -0.314 0.000 1.032 76 D CA 0.059 53.760 54.000 -0.498 0.000 0.947 76 D CB 1.490 41.796 40.800 -0.825 0.000 1.159 76 D HN -0.900 7.237 8.370 -0.388 0.000 0.460 77 G N 2.884 111.553 108.800 -0.218 0.000 2.851 77 G HA2 -0.339 3.809 3.960 0.056 0.000 0.272 77 G HA3 -0.339 3.623 3.960 0.004 0.000 0.272 77 G C -1.787 173.109 174.900 -0.006 0.000 1.100 77 G CA 0.325 45.409 45.100 -0.027 0.000 1.197 77 G HN 0.298 8.413 8.290 -0.292 0.000 0.561 78 V N 0.112 120.032 119.914 0.010 0.000 3.242 78 V HA 0.541 4.690 4.120 0.048 0.000 0.298 78 V C -3.075 173.070 176.094 0.086 0.000 1.352 78 V CA -2.155 60.164 62.300 0.033 0.000 1.052 78 V CB 3.820 35.630 31.823 -0.021 0.000 1.101 78 V HN -0.425 7.774 8.190 0.015 0.000 0.446 79 R N 3.357 123.910 120.500 0.087 0.000 2.584 79 R HA 0.644 5.178 4.340 0.147 -0.106 0.276 79 R C -1.732 174.613 176.300 0.074 0.000 1.046 79 R CA -1.653 54.515 56.100 0.114 0.000 0.906 79 R CB 4.129 34.510 30.300 0.133 0.000 1.215 79 R HN 0.068 8.379 8.270 0.068 0.000 0.449 80 G N 2.806 111.644 108.800 0.063 0.000 2.527 80 G HA2 0.131 4.164 3.960 0.003 0.000 0.248 80 G HA3 0.131 4.162 3.960 -0.010 -0.077 0.248 80 G C -1.810 173.102 174.900 0.020 0.000 1.231 80 G CA -0.237 44.872 45.100 0.015 0.000 0.838 80 G HN -0.079 8.265 8.290 0.089 0.000 0.570 81 K N 3.560 123.963 120.400 0.006 0.000 3.857 81 K HA 0.140 4.494 4.320 0.058 0.000 0.259 81 K C 1.906 178.517 176.600 0.018 0.000 1.373 81 K CA 0.023 56.330 56.287 0.033 0.000 1.484 81 K CB 1.306 33.831 32.500 0.043 0.000 2.418 81 K HN -0.007 8.393 8.250 -0.015 -0.158 0.500 82 R N -0.405 120.087 120.500 -0.012 0.000 2.292 82 R HA -0.252 4.010 4.340 -0.131 0.000 0.216 82 R C 0.741 176.988 176.300 -0.089 0.000 1.071 82 R CA 1.289 57.328 56.100 -0.102 0.000 0.838 82 R CB -0.744 29.463 30.300 -0.154 0.000 0.800 82 R HN -0.301 7.964 8.270 -0.008 0.000 0.434 83 G N 0.236 108.985 108.800 -0.086 0.000 2.438 83 G HA2 -0.292 3.616 3.960 -0.087 0.000 0.272 83 G HA3 -0.292 3.595 3.960 -0.122 0.000 0.272 83 G C -0.919 173.952 174.900 -0.049 0.000 0.991 83 G CA -0.119 44.929 45.100 -0.088 0.000 1.348 83 G HN 0.017 8.256 8.290 -0.086 0.000 0.483 84 Y N 1.661 121.877 120.300 -0.140 0.000 2.313 84 Y HA 0.028 4.555 4.550 -0.039 0.000 0.332 84 Y C -0.726 175.163 175.900 -0.020 0.000 1.071 84 Y CA 0.754 58.805 58.100 -0.081 0.000 1.169 84 Y CB 1.398 39.777 38.460 -0.134 0.000 1.192 84 Y HN -0.180 8.149 8.280 0.081 0.000 0.487 85 S N 4.415 120.040 115.700 -0.126 0.000 2.618 85 S HA 0.283 4.808 4.470 0.092 0.000 0.277 85 S C -1.955 172.719 174.600 0.124 0.000 1.138 85 S CA -1.615 56.611 58.200 0.044 0.000 0.844 85 S CB 1.764 64.935 63.200 -0.049 0.000 1.127 85 S HN 0.112 8.174 8.310 -0.413 0.000 0.474 86 R N -0.027 120.594 120.500 0.202 0.000 2.828 86 R HA 0.263 4.678 4.340 0.124 0.000 0.264 86 R C -1.266 175.157 176.300 0.207 0.000 1.022 86 R CA -1.281 54.924 56.100 0.175 0.000 1.021 86 R CB 1.824 32.211 30.300 0.145 0.000 1.163 86 R HN 0.197 8.571 8.270 0.174 0.000 0.494 87 G N -2.503 106.341 108.800 0.072 0.000 2.712 87 G HA2 -0.303 3.827 3.960 -0.006 0.000 0.686 87 G HA3 -0.303 3.722 3.960 0.109 0.000 0.686 87 G C -1.744 173.008 174.900 -0.248 0.000 1.321 87 G CA -0.879 44.229 45.100 0.014 0.000 0.813 87 G HN 0.029 8.343 8.290 0.040 0.000 0.599 88 L N 3.146 124.237 121.223 -0.220 0.000 2.281 88 L HA 0.298 4.446 4.340 -0.524 -0.122 0.285 88 L C -0.930 175.780 176.870 -0.266 0.000 1.074 88 L CA -0.220 54.408 54.840 -0.354 0.000 0.817 88 L CB 0.924 42.880 42.059 -0.172 0.000 1.168 88 L HN 0.400 8.572 8.230 -0.097 0.000 0.434 89 H N 2.241 121.354 119.070 0.072 0.000 2.966 89 H HA 0.422 5.015 4.556 0.063 0.000 0.330 89 H C -2.671 172.626 175.328 -0.050 0.000 1.292 89 H CA -1.994 54.107 56.048 0.088 0.000 1.127 89 H CB 2.257 32.179 29.762 0.267 0.000 1.863 89 H HN 0.382 8.153 8.280 -0.849 0.000 0.543 90 A N -2.934 119.882 122.820 -0.006 0.000 2.587 90 A HA 0.421 4.297 4.320 -0.825 -0.051 0.293 90 A C -2.790 174.406 177.584 -0.645 0.000 1.087 90 A CA -0.395 51.349 52.037 -0.487 0.000 0.692 90 A CB 3.609 22.423 19.000 -0.309 0.000 1.291 90 A HN 0.108 8.295 8.150 0.061 0.000 0.407 91 W N -4.391 116.614 121.300 -0.491 0.000 3.017 91 W HA 0.800 5.241 4.660 -0.519 -0.093 0.341 91 W C -1.998 174.438 176.519 -0.138 0.000 1.180 91 W CA -2.969 54.084 57.345 -0.487 0.000 1.097 91 W CB 2.945 32.047 29.460 -0.596 0.000 1.468 91 W HN 0.927 8.108 8.180 -1.665 0.000 0.584 92 E N -1.858 118.473 120.200 0.218 0.000 2.288 92 E HA 0.828 5.411 4.350 0.159 -0.137 0.268 92 E C -1.480 175.261 176.600 0.235 0.000 0.885 92 E CA -1.721 54.789 56.400 0.184 0.000 0.767 92 E CB 4.884 34.658 29.700 0.124 0.000 1.220 92 E HN 0.879 9.281 8.360 0.284 0.129 0.427 93 I N 3.199 123.925 120.570 0.259 0.000 2.802 93 I HA 0.843 5.326 4.170 0.109 -0.247 0.298 93 I C -2.715 173.548 176.117 0.243 0.000 1.176 93 I CA -1.888 59.554 61.300 0.237 0.000 1.025 93 I CB 4.175 42.406 38.000 0.384 0.000 1.243 93 I HN 0.838 9.223 8.210 0.292 0.000 0.424 94 S N 4.450 120.203 115.700 0.089 0.000 2.536 94 S HA 0.436 5.082 4.470 0.293 0.000 0.271 94 S C -1.682 172.934 174.600 0.027 0.000 1.134 94 S CA -0.836 57.447 58.200 0.138 0.000 0.897 94 S CB 2.977 66.188 63.200 0.019 0.000 1.094 94 S HN 0.678 8.826 8.310 -0.093 0.106 0.473 95 W N 1.425 122.748 121.300 0.037 0.000 2.336 95 W HA 0.537 5.214 4.660 0.028 0.000 0.315 95 W C -2.089 174.441 176.519 0.020 0.000 1.016 95 W CA -1.451 55.919 57.345 0.040 0.000 1.318 95 W CB 2.021 31.533 29.460 0.086 0.000 1.247 95 W HN 0.792 9.242 8.180 0.451 0.000 0.414 96 P HA 0.098 4.562 4.420 0.073 0.000 0.279 96 P C -1.777 175.594 177.300 0.119 0.000 1.318 96 P CA -0.372 62.776 63.100 0.080 0.000 0.819 96 P CB 0.875 32.578 31.700 0.005 0.000 0.927 97 L N 4.662 125.951 121.223 0.110 0.000 2.554 97 L HA 0.185 4.593 4.340 0.114 0.000 0.225 97 L C 0.967 177.868 176.870 0.050 0.000 1.104 97 L CA -0.618 54.276 54.840 0.090 0.000 0.866 97 L CB -0.115 41.987 42.059 0.072 0.000 1.047 97 L HN 0.228 8.517 8.230 0.099 0.000 0.468 98 E N -1.772 118.453 120.200 0.042 0.000 2.208 98 E HA -0.363 3.999 4.350 0.020 0.000 0.202 98 E C 1.794 178.409 176.600 0.024 0.000 1.014 98 E CA 2.704 59.120 56.400 0.026 0.000 0.819 98 E CB -0.276 29.437 29.700 0.022 0.000 0.735 98 E HN -0.032 8.314 8.360 0.047 0.043 0.469 99 Q N -1.885 117.935 119.800 0.034 0.000 1.861 99 Q HA -0.280 4.077 4.340 0.028 0.000 0.242 99 Q C 1.297 177.306 176.000 0.015 0.000 1.025 99 Q CA 2.481 58.303 55.803 0.031 0.000 0.886 99 Q CB 0.136 28.904 28.738 0.050 0.000 0.969 99 Q HN 0.352 8.620 8.270 0.044 0.028 0.418 100 R N -6.106 114.400 120.500 0.010 0.000 3.892 100 R HA 0.129 4.463 4.340 -0.009 0.000 0.051 100 R C -0.595 175.690 176.300 -0.026 0.000 0.775 100 R CA -0.055 56.039 56.100 -0.009 0.000 2.306 100 R CB 0.871 31.162 30.300 -0.016 0.000 1.401 100 R HN -0.198 8.084 8.270 0.020 0.000 0.457 101 G N 1.624 110.406 108.800 -0.031 0.000 2.741 101 G HA2 0.294 4.197 3.960 -0.096 0.000 0.293 101 G HA3 0.294 4.207 3.960 -0.079 0.000 0.293 101 G C -1.578 173.287 174.900 -0.058 0.000 1.457 101 G CA 0.772 45.829 45.100 -0.072 0.000 1.098 101 G HN -0.112 8.168 8.290 -0.018 0.000 0.536 102 T N 0.697 115.184 114.554 -0.112 0.000 2.626 102 T HA 0.073 4.460 4.350 0.062 0.000 0.285 102 T C -1.845 172.773 174.700 -0.137 0.000 1.194 102 T CA -1.388 60.715 62.100 0.005 0.000 1.112 102 T CB 1.103 70.074 68.868 0.172 0.000 1.714 102 T HN -0.067 8.051 8.240 -0.203 0.000 0.457 103 H N 0.197 119.356 119.070 0.148 0.000 3.218 103 H HA 0.229 4.732 4.556 -0.089 0.000 0.300 103 H C -1.376 173.704 175.328 -0.413 0.000 1.304 103 H CA 0.386 56.401 56.048 -0.055 0.000 1.562 103 H CB 2.585 32.340 29.762 -0.012 0.000 2.216 103 H HN 0.122 8.620 8.280 0.363 0.000 0.371 104 A N 3.379 125.722 122.820 -0.795 0.000 2.409 104 A HA -0.001 0.709 4.320 -6.017 0.000 0.262 104 A C -2.001 174.878 177.584 -1.176 0.000 1.113 104 A CA -0.026 50.416 52.037 -2.658 0.000 0.790 104 A CB 1.125 18.654 19.000 -2.452 0.000 1.046 104 A HN 0.148 8.062 8.150 -0.393 0.000 0.496 105 V N -2.745 116.723 119.914 -0.743 0.000 2.482 105 V HA 0.581 4.612 4.120 -0.150 0.000 0.295 105 V C -2.083 174.094 176.094 0.138 0.000 1.026 105 V CA -1.702 60.523 62.300 -0.126 0.000 0.856 105 V CB 1.497 33.318 31.823 -0.004 0.000 1.001 105 V HN -0.371 7.336 8.190 -0.804 0.000 0.424 106 V N 4.650 124.665 119.914 0.169 0.000 3.226 106 V HA 0.176 4.434 4.120 0.229 0.000 0.304 106 V C -1.511 174.699 176.094 0.192 0.000 1.336 106 V CA -1.470 60.977 62.300 0.244 0.000 1.066 106 V CB 4.515 36.566 31.823 0.380 0.000 1.087 106 V HN 0.101 8.368 8.190 0.129 0.000 0.451 107 G N -0.752 108.129 108.800 0.135 0.000 2.325 107 G HA2 0.164 4.135 3.960 0.019 0.000 0.297 107 G HA3 0.164 4.177 3.960 0.088 0.000 0.297 107 G C -3.242 171.702 174.900 0.073 0.000 1.448 107 G CA 0.871 46.016 45.100 0.076 0.000 0.838 107 G HN 0.446 8.813 8.290 0.129 0.000 0.579 108 V N -0.452 119.500 119.914 0.064 0.000 2.581 108 V HA 0.860 5.240 4.120 0.119 -0.188 0.303 108 V C -1.656 174.504 176.094 0.111 0.000 1.041 108 V CA -1.818 60.539 62.300 0.094 0.000 0.907 108 V CB 2.921 34.782 31.823 0.063 0.000 0.994 108 V HN -0.115 8.101 8.190 0.043 0.000 0.442 109 A N 4.561 127.454 122.820 0.121 0.000 2.337 109 A HA 0.682 5.149 4.320 0.098 -0.088 0.329 109 A C -1.500 176.084 177.584 0.000 0.000 1.146 109 A CA -2.069 50.027 52.037 0.099 0.000 0.800 109 A CB 3.404 22.490 19.000 0.143 0.000 1.220 109 A HN 1.221 9.363 8.150 0.163 0.106 0.472 110 T N 0.601 115.130 114.554 -0.041 0.000 2.807 110 T HA 0.433 4.583 4.350 -0.334 0.000 0.279 110 T C -0.619 174.033 174.700 -0.080 0.000 0.993 110 T CA -1.567 60.441 62.100 -0.154 0.000 0.970 110 T CB 1.899 70.689 68.868 -0.131 0.000 0.950 110 T HN 0.889 9.015 8.240 -0.001 0.113 0.441 111 A N 5.445 128.217 122.820 -0.080 0.000 2.044 111 A HA 0.283 4.617 4.320 0.024 0.000 0.213 111 A C 1.037 178.611 177.584 -0.016 0.000 1.169 111 A CA 1.499 53.542 52.037 0.011 0.000 0.724 111 A CB -0.090 18.974 19.000 0.107 0.000 0.840 111 A HN 0.521 8.553 8.150 -0.196 0.000 0.463 112 L N -6.081 115.113 121.223 -0.048 0.000 2.492 112 L HA -0.095 4.234 4.340 -0.018 0.000 0.223 112 L C -0.830 176.008 176.870 -0.052 0.000 1.132 112 L CA -0.203 54.614 54.840 -0.038 0.000 0.850 112 L CB -1.064 40.971 42.059 -0.040 0.000 0.966 112 L HN -0.299 7.876 8.230 -0.091 0.000 0.454 113 A N -0.057 122.720 122.820 -0.072 0.000 2.547 113 A HA -0.163 4.097 4.320 -0.099 0.000 0.269 113 A C -0.630 176.910 177.584 -0.074 0.000 1.041 113 A CA -0.666 51.318 52.037 -0.088 0.000 0.855 113 A CB -0.798 18.141 19.000 -0.102 0.000 0.934 113 A HN -0.210 7.840 8.150 -0.080 0.051 0.521 114 P HA -0.029 4.364 4.420 -0.045 0.000 0.323 114 P C -1.413 175.847 177.300 -0.067 0.000 1.319 114 P CA -0.419 62.647 63.100 -0.057 0.000 0.741 114 P CB 0.827 32.498 31.700 -0.048 0.000 1.545 115 L N -7.455 113.735 121.223 -0.055 0.000 2.376 115 L HA 0.309 4.605 4.340 -0.074 0.000 0.274 115 L C -0.798 176.048 176.870 -0.039 0.000 1.418 115 L CA 0.052 54.858 54.840 -0.056 0.000 0.658 115 L CB -0.999 41.029 42.059 -0.051 0.000 0.914 115 L HN -0.353 7.851 8.230 -0.044 0.000 0.522 116 Q N 0.361 120.140 119.800 -0.035 0.000 2.377 116 Q HA 0.049 4.378 4.340 -0.019 0.000 0.193 116 Q C 0.341 176.331 176.000 -0.017 0.000 0.986 116 Q CA 0.482 56.271 55.803 -0.022 0.000 0.851 116 Q CB 1.041 29.768 28.738 -0.019 0.000 0.986 116 Q HN -0.023 8.223 8.270 -0.041 0.000 0.559 117 A N -0.084 122.727 122.820 -0.015 0.000 3.257 117 A HA 0.344 4.799 4.320 -0.002 -0.137 0.308 117 A C -1.569 176.016 177.584 0.001 0.000 1.175 117 A CA -1.285 50.750 52.037 -0.004 0.000 1.018 117 A CB -0.697 18.304 19.000 0.002 0.000 1.088 117 A HN -0.282 7.857 8.150 -0.019 0.000 0.567 118 D N 0.349 120.741 120.400 -0.013 0.000 2.694 118 D HA -0.340 4.262 4.640 -0.062 0.000 0.223 118 D C 0.028 176.364 176.300 0.059 0.000 1.158 118 D CA 1.242 55.230 54.000 -0.020 0.000 0.859 118 D CB 0.848 41.624 40.800 -0.040 0.000 1.210 118 D HN -0.606 7.698 8.370 -0.022 0.053 0.506 119 H N 4.318 123.375 119.070 -0.022 0.000 2.400 119 H HA -0.336 4.250 4.556 0.049 0.000 0.295 119 H C 0.744 176.203 175.328 0.218 0.000 1.118 119 H CA 2.511 58.607 56.048 0.079 0.000 1.256 119 H CB 0.251 30.060 29.762 0.078 0.000 1.365 119 H HN 0.377 8.698 8.280 0.068 0.000 0.502 120 Y N -1.360 118.802 120.300 -0.231 0.000 2.089 120 Y HA -0.275 4.039 4.550 -0.395 0.000 0.282 120 Y C 0.299 176.095 175.900 -0.174 0.000 1.139 120 Y CA 2.085 60.033 58.100 -0.252 0.000 1.123 120 Y CB 0.256 38.658 38.460 -0.095 0.000 0.980 120 Y HN -0.589 8.019 8.280 0.257 -0.173 0.493 121 A N -6.333 116.531 122.820 0.073 0.000 3.507 121 A HA -0.063 4.250 4.320 -0.012 0.000 0.159 121 A C -2.490 175.106 177.584 0.020 0.000 1.313 121 A CA 0.734 52.778 52.037 0.012 0.000 1.300 121 A CB -0.163 18.832 19.000 -0.009 0.000 1.020 121 A HN -0.251 7.972 8.150 0.122 0.000 0.470 122 A N -2.526 120.313 122.820 0.032 0.000 1.897 122 A HA 0.127 4.451 4.320 0.007 0.000 0.285 122 A C -1.460 176.136 177.584 0.019 0.000 1.261 122 A CA 0.252 52.298 52.037 0.015 0.000 0.936 122 A CB -0.913 18.091 19.000 0.006 0.000 1.240 122 A HN -0.235 7.946 8.150 0.053 0.000 0.434 123 L N 1.982 123.215 121.223 0.017 0.000 2.296 123 L HA 0.466 4.820 4.340 0.024 0.000 0.193 123 L C 0.423 177.294 176.870 0.001 0.000 1.123 123 L CA 1.059 55.909 54.840 0.016 0.000 0.805 123 L CB 0.377 42.447 42.059 0.019 0.000 1.004 123 L HN 0.481 8.717 8.230 0.010 0.000 0.478 124 L N -3.788 117.428 121.223 -0.012 0.000 2.697 124 L HA 0.015 4.348 4.340 -0.013 0.000 0.311 124 L C -2.035 174.819 176.870 -0.027 0.000 0.742 124 L CA -0.336 54.494 54.840 -0.015 0.000 1.131 124 L CB 1.229 43.283 42.059 -0.009 0.000 1.701 124 L HN -0.695 7.522 8.230 -0.021 0.000 0.339 125 G N -2.732 106.053 108.800 -0.025 0.000 2.698 125 G HA2 0.253 4.188 3.960 -0.042 0.000 0.293 125 G HA3 0.253 4.194 3.960 -0.031 0.000 0.293 125 G C -1.995 172.890 174.900 -0.024 0.000 1.437 125 G CA 0.438 45.520 45.100 -0.031 0.000 0.852 125 G HN -0.455 7.824 8.290 -0.018 0.000 0.499 126 S N 0.176 115.861 115.700 -0.025 0.000 3.375 126 S HA 0.148 4.609 4.470 -0.014 0.000 0.178 126 S C 0.588 175.179 174.600 -0.015 0.000 0.868 126 S CA 0.288 58.478 58.200 -0.017 0.000 1.129 126 S CB 0.981 64.171 63.200 -0.016 0.000 1.035 126 S HN 0.228 8.519 8.310 -0.032 0.000 0.840 127 N N -0.803 117.890 118.700 -0.013 0.000 2.325 127 N HA 0.212 4.948 4.740 -0.007 0.000 0.220 127 N C -0.832 174.675 175.510 -0.006 0.000 1.176 127 N CA 0.195 53.240 53.050 -0.007 0.000 0.861 127 N CB 1.423 39.908 38.487 -0.003 0.000 1.230 127 N HN 0.228 8.600 8.380 -0.013 0.000 0.479 128 S N -2.927 112.767 115.700 -0.009 0.000 2.755 128 S HA 0.127 4.586 4.470 -0.018 0.000 0.286 128 S C -2.255 172.330 174.600 -0.025 0.000 1.207 128 S CA -0.548 57.646 58.200 -0.011 0.000 0.892 128 S CB 2.678 65.886 63.200 0.014 0.000 1.240 128 S HN -0.488 7.815 8.310 -0.011 0.000 0.525 129 E N 1.288 121.472 120.200 -0.027 0.000 2.311 129 E HA 0.303 4.630 4.350 -0.037 0.000 0.281 129 E C -2.585 174.021 176.600 0.010 0.000 0.905 129 E CA -0.076 56.298 56.400 -0.044 0.000 0.778 129 E CB 4.189 33.816 29.700 -0.121 0.000 1.240 129 E HN 0.274 8.624 8.360 -0.017 0.000 0.410 130 S N 6.522 122.268 115.700 0.076 0.000 2.596 130 S HA 0.244 4.791 4.470 0.127 0.000 0.318 130 S C -1.261 173.537 174.600 0.331 0.000 1.097 130 S CA -0.837 57.455 58.200 0.154 0.000 1.080 130 S CB 1.304 64.581 63.200 0.128 0.000 0.991 130 S HN 0.372 8.726 8.310 0.074 0.000 0.471 131 W N 7.819 129.116 121.300 -0.006 0.000 2.839 131 W HA 0.230 4.894 4.660 0.008 0.000 0.334 131 W C -1.665 174.852 176.519 -0.004 0.000 1.064 131 W CA -0.240 57.103 57.345 -0.003 0.000 1.236 131 W CB 3.247 32.694 29.460 -0.022 0.000 1.405 131 W HN 0.521 8.872 8.180 0.285 0.000 0.478 132 G N 2.717 111.506 108.800 -0.019 0.000 2.635 132 G HA2 0.321 4.176 3.960 -0.176 0.000 0.194 132 G HA3 0.321 4.285 3.960 0.006 0.000 0.194 132 G C -2.060 172.879 174.900 0.065 0.000 1.198 132 G CA 0.288 45.352 45.100 -0.061 0.000 0.972 132 G HN -0.185 8.020 8.290 -0.141 0.000 0.520 133 W N 1.657 122.959 121.300 0.003 0.000 2.362 133 W HA 0.389 4.947 4.660 -0.170 0.000 0.316 133 W C -1.869 174.591 176.519 -0.099 0.000 1.024 133 W CA -2.293 55.003 57.345 -0.081 0.000 1.270 133 W CB 1.005 30.443 29.460 -0.036 0.000 1.273 133 W HN -0.216 8.088 8.180 0.207 0.000 0.424 134 D N 1.176 121.607 120.400 0.051 0.000 2.350 134 D HA 0.196 4.807 4.640 -0.049 0.000 0.245 134 D C 0.271 176.485 176.300 -0.144 0.000 1.036 134 D CA -1.844 52.122 54.000 -0.055 0.000 0.848 134 D CB 3.290 44.056 40.800 -0.057 0.000 1.307 134 D HN 0.237 8.615 8.370 0.013 0.000 0.469 135 I N -3.432 117.008 120.570 -0.216 0.000 3.444 135 I HA 0.188 4.254 4.170 -0.173 0.000 0.287 135 I C 1.288 177.231 176.117 -0.291 0.000 1.302 135 I CA -1.536 59.612 61.300 -0.252 0.000 1.368 135 I CB -1.808 36.022 38.000 -0.284 0.000 1.048 135 I HN 0.053 8.123 8.210 -0.233 0.000 0.487 136 G N 0.306 108.964 108.800 -0.237 0.000 2.625 136 G HA2 -0.248 3.618 3.960 -0.156 0.000 0.214 136 G HA3 -0.248 3.728 3.960 -0.094 -0.073 0.214 136 G C 0.128 174.979 174.900 -0.082 0.000 1.132 136 G CA 0.973 45.990 45.100 -0.138 0.000 0.782 136 G HN -0.594 7.602 8.290 -0.205 -0.029 0.538 137 R N -1.409 119.000 120.500 -0.153 0.000 2.310 137 R HA 0.029 4.137 4.340 -0.387 0.000 0.202 137 R C -0.069 176.155 176.300 -0.126 0.000 0.933 137 R CA 0.536 56.494 56.100 -0.235 0.000 1.054 137 R CB 0.320 30.464 30.300 -0.260 0.000 0.985 137 R HN -0.834 7.259 8.270 -0.168 0.076 0.489 138 G N -2.088 106.697 108.800 -0.025 0.000 3.146 138 G HA2 0.244 4.227 3.960 0.038 0.000 0.238 138 G HA3 0.244 4.232 3.960 0.047 0.000 0.238 138 G C -0.515 174.467 174.900 0.137 0.000 1.022 138 G CA -0.392 44.739 45.100 0.051 0.000 0.880 138 G HN -0.190 7.878 8.290 -0.042 0.197 0.533 139 K N 0.549 121.042 120.400 0.154 0.000 2.351 139 K HA -0.228 4.233 4.320 0.236 0.000 0.255 139 K C 1.390 178.096 176.600 0.176 0.000 1.108 139 K CA 0.576 56.978 56.287 0.191 0.000 0.813 139 K CB 0.532 33.137 32.500 0.174 0.000 1.073 139 K HN -0.819 7.378 8.250 0.099 0.112 0.511 140 L N -2.059 119.241 121.223 0.129 0.000 2.591 140 L HA -0.032 4.349 4.340 0.069 0.000 0.228 140 L C 0.778 177.681 176.870 0.054 0.000 1.133 140 L CA 0.665 55.544 54.840 0.065 0.000 0.880 140 L CB -0.206 41.856 42.059 0.004 0.000 1.033 140 L HN 0.208 8.509 8.230 0.118 0.000 0.450 141 Y N -1.779 118.505 120.300 -0.027 0.000 2.490 141 Y HA -0.169 4.244 4.550 -0.228 0.000 0.281 141 Y C -0.642 174.842 175.900 -0.692 0.000 1.174 141 Y CA -0.347 57.592 58.100 -0.268 0.000 1.295 141 Y CB -0.408 37.940 38.460 -0.187 0.000 1.062 141 Y HN -0.472 7.892 8.280 0.282 0.085 0.522 142 H N -2.247 116.934 119.070 0.185 0.000 2.895 142 H HA 0.363 4.976 4.556 0.096 0.000 0.282 142 H C -1.693 173.668 175.328 0.054 0.000 1.338 142 H CA -0.120 55.983 56.048 0.092 0.000 1.595 142 H CB 0.841 30.627 29.762 0.041 0.000 1.771 142 H HN -0.650 7.671 8.280 0.208 0.083 0.573 143 Q N 2.588 122.448 119.800 0.100 0.000 2.170 143 Q HA -0.013 4.368 4.340 0.069 0.000 0.165 143 Q C 0.465 176.488 176.000 0.039 0.000 0.599 143 Q CA 0.348 56.189 55.803 0.063 0.000 0.844 143 Q CB 1.531 30.295 28.738 0.044 0.000 1.139 143 Q HN -0.074 8.235 8.270 0.066 0.000 0.388 144 S N 1.699 117.413 115.700 0.024 0.000 2.380 144 S HA -0.301 4.173 4.470 0.007 0.000 0.229 144 S C 1.256 175.867 174.600 0.019 0.000 1.043 144 S CA 2.059 60.267 58.200 0.013 0.000 1.038 144 S CB -0.044 63.159 63.200 0.006 0.000 0.872 144 S HN 0.201 8.523 8.310 0.020 0.000 0.456 145 K N 3.085 123.503 120.400 0.031 0.000 2.229 145 K HA 0.090 4.424 4.320 0.023 0.000 0.247 145 K C -1.266 175.362 176.600 0.045 0.000 1.117 145 K CA -0.718 55.590 56.287 0.034 0.000 1.036 145 K CB -0.242 32.282 32.500 0.039 0.000 1.654 145 K HN -0.382 7.882 8.250 0.036 0.008 0.405 146 G N 1.364 110.183 108.800 0.030 0.000 2.707 146 G HA2 0.192 4.171 3.960 0.032 0.000 0.299 146 G HA3 0.192 4.168 3.960 0.027 0.000 0.299 146 G C -1.187 173.720 174.900 0.011 0.000 1.442 146 G CA -0.091 45.025 45.100 0.026 0.000 1.009 146 G HN -0.485 7.818 8.290 0.021 0.000 0.515 147 L N 1.927 123.154 121.223 0.005 0.000 2.645 147 L HA 0.118 4.459 4.340 0.002 0.000 0.235 147 L C -0.180 176.689 176.870 -0.002 0.000 1.150 147 L CA -0.123 54.717 54.840 0.000 0.000 0.911 147 L CB 0.511 42.568 42.059 -0.003 0.000 1.077 147 L HN 0.292 8.525 8.230 0.005 0.000 0.438 148 E N -1.128 119.071 120.200 -0.002 0.000 2.435 148 E HA -0.157 4.189 4.350 -0.006 0.000 0.256 148 E C -0.677 175.927 176.600 0.008 0.000 1.245 148 E CA -0.129 56.270 56.400 -0.001 0.000 0.989 148 E CB 0.605 30.304 29.700 -0.002 0.000 0.983 148 E HN -0.733 7.523 8.360 0.001 0.105 0.480 149 A N 1.207 124.038 122.820 0.018 0.000 2.513 149 A HA -0.033 4.305 4.320 0.031 0.000 0.274 149 A C -1.292 176.307 177.584 0.025 0.000 1.115 149 A CA -0.991 51.067 52.037 0.035 0.000 0.792 149 A CB -0.843 18.195 19.000 0.064 0.000 1.053 149 A HN 0.373 8.532 8.150 0.016 0.000 0.515 150 P HA -0.088 4.322 4.420 -0.017 0.000 0.233 150 P C -0.103 177.168 177.300 -0.048 0.000 1.167 150 P CA 0.761 63.852 63.100 -0.015 0.000 0.770 150 P CB 0.609 32.300 31.700 -0.014 0.000 0.837 151 Q N -1.887 117.897 119.800 -0.027 0.000 2.013 151 Q HA -0.023 4.196 4.340 -0.201 0.000 0.195 151 Q C -0.261 175.529 176.000 -0.349 0.000 0.974 151 Q CA 1.901 57.623 55.803 -0.135 0.000 0.826 151 Q CB -0.055 28.735 28.738 0.087 0.000 0.895 151 Q HN 0.108 8.333 8.270 0.028 0.062 0.448 152 Y N -2.801 117.494 120.300 -0.007 0.000 2.621 152 Y HA 0.318 4.864 4.550 -0.007 0.000 0.334 152 Y C -2.069 173.826 175.900 -0.009 0.000 1.074 152 Y CA -3.315 54.781 58.100 -0.008 0.000 1.149 152 Y CB 0.816 39.271 38.460 -0.008 0.000 1.302 152 Y HN -0.588 7.848 8.280 0.261 0.000 0.501 153 P HA -0.002 4.446 4.420 0.047 0.000 0.275 153 P C -1.547 175.795 177.300 0.069 0.000 1.276 153 P CA 0.304 63.450 63.100 0.076 0.000 0.782 153 P CB -0.903 30.832 31.700 0.059 0.000 0.851 154 A N 4.701 127.548 122.820 0.045 0.000 2.583 154 A HA 0.088 4.416 4.320 0.013 0.000 0.292 154 A C -2.256 175.331 177.584 0.005 0.000 1.045 154 A CA 0.293 52.344 52.037 0.024 0.000 0.672 154 A CB 1.800 20.821 19.000 0.035 0.000 1.283 154 A HN 0.089 8.262 8.150 0.038 0.000 0.419 155 G N -1.630 107.162 108.800 -0.013 0.000 1.984 155 G HA2 0.080 4.026 3.960 -0.023 0.000 0.313 155 G HA3 0.080 4.019 3.960 -0.035 0.000 0.313 155 G C -2.198 172.673 174.900 -0.048 0.000 1.632 155 G CA 0.155 45.237 45.100 -0.030 0.000 0.963 155 G HN -0.266 8.015 8.290 -0.016 0.000 0.595 156 P HA 0.010 4.404 4.420 -0.045 0.000 0.217 156 P C 0.613 177.858 177.300 -0.093 0.000 1.154 156 P CA 0.808 63.877 63.100 -0.052 0.000 0.841 156 P CB 0.826 32.507 31.700 -0.031 0.000 0.788 157 Q N -2.376 117.361 119.800 -0.104 0.000 2.541 157 Q HA -0.112 4.267 4.340 -0.191 -0.154 0.215 157 Q C 2.387 178.275 176.000 -0.186 0.000 0.977 157 Q CA 1.938 57.648 55.803 -0.155 0.000 0.934 157 Q CB -1.108 27.555 28.738 -0.125 0.000 0.988 157 Q HN 0.392 8.614 8.270 -0.081 0.000 0.521 158 G N -0.817 107.890 108.800 -0.156 0.000 2.484 158 G HA2 -0.194 3.663 3.960 -0.171 0.000 0.218 158 G HA3 -0.194 3.688 3.960 -0.129 0.000 0.218 158 G C 0.737 175.490 174.900 -0.245 0.000 1.130 158 G CA 1.069 46.067 45.100 -0.170 0.000 0.784 158 G HN -0.620 7.386 8.290 -0.121 0.211 0.543 159 E N -1.011 119.030 120.200 -0.265 0.000 2.494 159 E HA 0.079 4.336 4.350 -0.375 -0.132 0.193 159 E C 0.763 176.981 176.600 -0.636 0.000 1.074 159 E CA 0.175 56.348 56.400 -0.379 0.000 0.867 159 E CB -0.598 28.952 29.700 -0.250 0.000 0.924 159 E HN -0.637 7.566 8.360 -0.211 0.031 0.502 160 Q N -1.656 117.807 119.800 -0.562 0.000 2.364 160 Q HA -0.226 3.686 4.340 -0.713 0.000 0.207 160 Q C -0.124 175.282 176.000 -0.989 0.000 0.970 160 Q CA 2.030 57.428 55.803 -0.675 0.000 0.888 160 Q CB 0.184 28.671 28.738 -0.419 0.000 0.951 160 Q HN -0.515 7.308 8.270 -0.411 0.201 0.469 161 L N -6.096 114.612 121.223 -0.858 0.000 3.766 161 L HA 0.094 3.740 4.340 -1.157 0.000 0.370 161 L C -2.276 174.320 176.870 -0.458 0.000 1.320 161 L CA 0.416 54.816 54.840 -0.733 0.000 1.098 161 L CB 1.629 43.463 42.059 -0.375 0.000 1.405 161 L HN -0.913 6.870 8.230 -0.653 0.054 0.608 162 V N -1.299 118.322 119.914 -0.489 0.000 2.925 162 V HA 0.155 4.128 4.120 -0.245 0.000 0.252 162 V C -2.103 173.830 176.094 -0.268 0.000 0.913 162 V CA 0.032 62.157 62.300 -0.291 0.000 0.933 162 V CB 2.977 34.677 31.823 -0.205 0.000 1.039 162 V HN -0.682 7.008 8.190 -0.637 0.118 0.507 163 V N 5.061 124.827 119.914 -0.246 0.000 2.220 163 V HA 0.453 4.477 4.120 -0.161 0.000 0.265 163 V C -1.931 174.148 176.094 -0.026 0.000 1.078 163 V CA -3.243 58.961 62.300 -0.159 0.000 0.872 163 V CB -0.213 31.486 31.823 -0.207 0.000 1.121 163 V HN 0.213 8.258 8.190 -0.242 0.000 0.460 164 P HA 0.162 4.658 4.420 0.127 0.000 0.241 164 P C -1.052 176.292 177.300 0.073 0.000 1.760 164 P CA 0.036 63.174 63.100 0.063 0.000 1.081 164 P CB -1.269 30.452 31.700 0.035 0.000 1.975 165 E N 0.510 120.770 120.200 0.101 0.000 2.793 165 E HA 0.055 4.444 4.350 0.065 0.000 0.289 165 E C -1.970 174.685 176.600 0.092 0.000 1.106 165 E CA 0.584 57.028 56.400 0.073 0.000 2.106 165 E CB 2.112 31.832 29.700 0.033 0.000 2.139 165 E HN 0.457 8.860 8.360 0.142 0.043 1.086 166 R N -0.584 119.969 120.500 0.089 0.000 2.680 166 R HA 0.276 4.695 4.340 0.132 0.000 0.269 166 R C -2.215 174.168 176.300 0.139 0.000 1.026 166 R CA -1.195 54.971 56.100 0.109 0.000 0.889 166 R CB 3.361 33.698 30.300 0.062 0.000 1.241 166 R HN -0.165 8.144 8.270 0.064 0.000 0.463 167 L N 1.599 122.948 121.223 0.210 0.000 2.513 167 L HA 0.380 4.834 4.340 0.188 0.000 0.261 167 L C -2.671 174.393 176.870 0.324 0.000 0.945 167 L CA -0.924 54.090 54.840 0.290 0.000 0.848 167 L CB 4.828 47.158 42.059 0.451 0.000 1.334 167 L HN 0.343 8.700 8.230 0.211 0.000 0.407 168 L N 5.747 127.125 121.223 0.258 0.000 2.294 168 L HA 0.537 5.032 4.340 0.093 -0.100 0.283 168 L C -2.260 174.641 176.870 0.052 0.000 1.015 168 L CA -1.514 53.397 54.840 0.117 0.000 0.831 168 L CB 2.061 44.142 42.059 0.037 0.000 1.217 168 L HN 0.687 8.961 8.230 0.230 0.094 0.420 169 V N 8.784 128.573 119.914 -0.208 0.000 2.439 169 V HA 0.206 4.221 4.120 -0.333 -0.094 0.282 169 V C -1.015 174.506 176.094 -0.954 0.000 1.039 169 V CA -1.485 60.412 62.300 -0.672 0.000 0.913 169 V CB 0.947 32.000 31.823 -1.283 0.000 0.983 169 V HN 0.991 9.073 8.190 -0.180 0.000 0.460 170 V N 7.109 126.644 119.914 -0.631 0.000 2.370 170 V HA 0.080 3.890 4.120 -0.516 0.000 0.283 170 V C -2.090 173.778 176.094 -0.377 0.000 1.023 170 V CA -0.356 61.674 62.300 -0.451 0.000 0.857 170 V CB 1.059 32.807 31.823 -0.125 0.000 0.985 170 V HN 0.061 7.985 8.190 -0.444 0.000 0.443 171 L N 7.820 128.872 121.223 -0.285 0.000 2.404 171 L HA 0.517 4.881 4.340 0.040 0.000 0.272 171 L C -2.942 173.923 176.870 -0.009 0.000 0.980 171 L CA -0.758 54.115 54.840 0.054 0.000 0.836 171 L CB 3.575 45.946 42.059 0.521 0.000 1.238 171 L HN 0.621 8.653 8.230 -0.330 0.000 0.408 172 D N 6.751 127.099 120.400 -0.087 0.000 2.498 172 D HA 0.461 4.777 4.640 -0.541 0.000 0.247 172 D C -1.674 174.529 176.300 -0.161 0.000 1.070 172 D CA -1.416 52.430 54.000 -0.257 0.000 0.842 172 D CB 3.869 44.557 40.800 -0.187 0.000 1.361 172 D HN 0.096 8.463 8.370 -0.006 0.000 0.484 173 M N 4.549 124.025 119.600 -0.207 0.000 2.447 173 M HA -0.016 4.430 4.480 -0.056 0.000 0.266 173 M C 0.978 177.252 176.300 -0.043 0.000 1.120 173 M CA 1.032 56.282 55.300 -0.083 0.000 1.166 173 M CB 1.590 34.157 32.600 -0.055 0.000 1.349 173 M HN 0.046 8.010 8.290 -0.366 0.106 0.463 174 E N -1.873 118.287 120.200 -0.066 0.000 2.253 174 E HA -0.344 4.000 4.350 -0.010 0.000 0.202 174 E C 0.893 177.473 176.600 -0.034 0.000 1.014 174 E CA 2.418 58.795 56.400 -0.038 0.000 0.823 174 E CB -0.471 29.193 29.700 -0.061 0.000 0.736 174 E HN -0.439 7.977 8.360 -0.111 -0.123 0.478 175 E N -4.433 115.737 120.200 -0.051 0.000 2.399 175 E HA 0.049 4.380 4.350 -0.031 0.000 0.205 175 E C 0.135 176.732 176.600 -0.005 0.000 0.906 175 E CA -0.169 56.207 56.400 -0.040 0.000 0.998 175 E CB 1.527 31.176 29.700 -0.086 0.000 1.002 175 E HN -0.211 8.062 8.360 -0.072 0.043 0.501 176 G N -0.506 108.294 108.800 0.000 0.000 2.137 176 G HA2 -0.331 3.650 3.960 0.034 0.000 0.237 176 G HA3 -0.331 3.663 3.960 0.057 0.000 0.237 176 G C -1.102 173.826 174.900 0.046 0.000 1.002 176 G CA 0.480 45.601 45.100 0.036 0.000 0.702 176 G HN -0.469 7.701 8.290 -0.027 0.104 0.515 177 T N -1.150 113.432 114.554 0.046 0.000 2.812 177 T HA 0.367 4.780 4.350 0.105 0.000 0.282 177 T C -1.320 173.473 174.700 0.155 0.000 0.990 177 T CA -1.547 60.623 62.100 0.116 0.000 0.960 177 T CB 2.011 70.972 68.868 0.155 0.000 0.948 177 T HN -0.662 7.557 8.240 0.009 0.026 0.438 178 L N 0.078 121.382 121.223 0.134 0.000 2.393 178 L HA 1.003 5.543 4.340 0.099 -0.141 0.260 178 L C -1.387 175.479 176.870 -0.007 0.000 1.002 178 L CA -1.736 53.154 54.840 0.084 0.000 0.818 178 L CB 3.948 46.072 42.059 0.109 0.000 1.369 178 L HN 0.279 8.572 8.230 0.105 0.000 0.412 179 G N -2.103 106.629 108.800 -0.113 0.000 2.682 179 G HA2 0.255 4.124 3.960 -0.151 0.000 0.290 179 G HA3 0.255 4.078 3.960 -0.228 0.000 0.290 179 G C -3.221 171.552 174.900 -0.212 0.000 1.425 179 G CA -0.431 44.562 45.100 -0.180 0.000 0.807 179 G HN 0.271 8.474 8.290 -0.145 0.000 0.482 180 Y N -0.108 119.935 120.300 -0.429 0.000 2.328 180 Y HA 0.196 4.494 4.550 -0.419 0.000 0.333 180 Y C -2.278 173.520 175.900 -0.170 0.000 0.958 180 Y CA -2.280 55.493 58.100 -0.545 0.000 1.167 180 Y CB 1.499 39.186 38.460 -1.288 0.000 1.151 180 Y HN 0.216 8.377 8.280 -0.200 0.000 0.470 181 S N 2.931 118.824 115.700 0.322 0.000 2.651 181 S HA 0.303 5.061 4.470 0.480 0.000 0.279 181 S C -1.868 172.842 174.600 0.183 0.000 1.148 181 S CA -2.204 56.161 58.200 0.276 0.000 0.837 181 S CB 2.648 65.904 63.200 0.093 0.000 1.138 181 S HN 0.138 8.669 8.310 0.368 0.000 0.478 182 I N -1.054 119.548 120.570 0.054 0.000 2.312 182 I HA 0.317 4.614 4.170 0.077 -0.081 0.290 182 I C 0.431 176.516 176.117 -0.054 0.000 1.008 182 I CA -0.839 60.466 61.300 0.009 0.000 1.226 182 I CB -0.519 37.458 38.000 -0.039 0.000 1.371 182 I HN 0.156 8.354 8.210 -0.021 0.000 0.468 183 G N 7.548 116.338 108.800 -0.016 0.000 2.175 183 G HA2 -0.371 3.580 3.960 -0.016 0.000 0.265 183 G HA3 -0.371 3.560 3.960 -0.049 0.000 0.265 183 G C 0.145 175.015 174.900 -0.050 0.000 0.979 183 G CA 0.694 45.774 45.100 -0.035 0.000 0.663 183 G HN 0.706 9.009 8.290 0.022 0.000 0.533 184 G N -1.975 106.794 108.800 -0.052 0.000 2.203 184 G HA2 -0.346 3.595 3.960 -0.031 0.000 0.231 184 G HA3 -0.346 3.595 3.960 -0.031 0.000 0.231 184 G C -0.285 174.555 174.900 -0.100 0.000 1.058 184 G CA -0.023 45.047 45.100 -0.049 0.000 0.781 184 G HN 0.166 8.356 8.290 -0.035 0.079 0.496 185 T N 1.432 115.863 114.554 -0.205 0.000 2.739 185 T HA -0.111 4.076 4.350 -0.272 0.000 0.246 185 T C 0.653 175.156 174.700 -0.329 0.000 1.058 185 T CA 2.031 63.896 62.100 -0.393 0.000 1.184 185 T CB 0.791 69.197 68.868 -0.771 0.000 0.887 185 T HN -0.341 7.693 8.240 -0.193 0.091 0.408 186 Y N 1.732 122.033 120.300 0.002 0.000 2.594 186 Y HA -0.031 4.503 4.550 -0.027 0.000 0.344 186 Y C -0.860 174.993 175.900 -0.079 0.000 1.185 186 Y CA -0.234 57.857 58.100 -0.014 0.000 1.565 186 Y CB -1.754 36.731 38.460 0.041 0.000 1.415 186 Y HN -0.195 7.706 8.280 -0.632 0.000 0.488 187 L N 0.529 121.729 121.223 -0.039 0.000 3.814 187 L HA 0.096 4.152 4.340 -0.474 0.000 0.397 187 L C -1.135 175.527 176.870 -0.347 0.000 1.269 187 L CA 0.847 55.486 54.840 -0.334 0.000 1.213 187 L CB 1.257 43.168 42.059 -0.247 0.000 1.369 187 L HN -0.448 7.783 8.230 0.001 0.000 0.581 188 G N 1.169 109.919 108.800 -0.084 0.000 2.760 188 G HA2 0.257 4.396 3.960 0.297 0.000 0.214 188 G HA3 0.257 4.277 3.960 0.099 0.000 0.214 188 G C -1.396 173.580 174.900 0.128 0.000 1.212 188 G CA 0.674 45.842 45.100 0.114 0.000 0.858 188 G HN 0.296 8.559 8.290 -0.045 0.000 0.611 189 P HA -0.039 4.435 4.420 0.090 0.000 0.220 189 P C 0.744 178.067 177.300 0.039 0.000 1.152 189 P CA 1.453 64.592 63.100 0.064 0.000 0.812 189 P CB -0.504 31.223 31.700 0.046 0.000 0.792 190 A N -2.938 119.856 122.820 -0.043 0.000 2.258 190 A HA -0.061 4.247 4.320 -0.019 0.000 0.206 190 A C 0.788 178.321 177.584 -0.085 0.000 1.222 190 A CA 0.987 52.977 52.037 -0.078 0.000 0.822 190 A CB -1.016 17.903 19.000 -0.134 0.000 0.804 190 A HN 0.108 8.194 8.150 -0.072 0.021 0.483 191 F N -1.768 118.192 119.950 0.017 0.000 2.754 191 F HA -0.016 4.511 4.527 0.000 0.000 0.297 191 F C 1.262 177.063 175.800 0.002 0.000 1.122 191 F CA 0.178 58.180 58.000 0.004 0.000 1.400 191 F CB 0.235 39.234 39.000 -0.002 0.000 1.117 191 F HN -0.674 7.583 8.300 0.138 0.125 0.587 192 R N -1.420 119.194 120.500 0.190 0.000 2.200 192 R HA -0.116 4.286 4.340 0.103 0.000 0.208 192 R C 0.656 177.002 176.300 0.077 0.000 1.033 192 R CA 2.409 58.574 56.100 0.110 0.000 1.000 192 R CB 0.017 30.365 30.300 0.081 0.000 0.906 192 R HN -0.721 7.602 8.270 0.161 0.044 0.462 193 G N -4.652 104.189 108.800 0.070 0.000 2.784 193 G HA2 0.168 4.149 3.960 0.035 0.000 0.208 193 G HA3 0.168 4.145 3.960 0.028 0.000 0.208 193 G C 0.572 175.497 174.900 0.042 0.000 1.120 193 G CA -0.167 44.958 45.100 0.041 0.000 0.774 193 G HN -0.374 7.929 8.290 0.077 0.033 0.528 194 L N 1.812 123.074 121.223 0.065 0.000 2.131 194 L HA -0.358 4.002 4.340 0.033 0.000 0.210 194 L C 0.873 177.788 176.870 0.074 0.000 1.092 194 L CA 2.139 57.019 54.840 0.066 0.000 0.759 194 L CB -0.065 42.054 42.059 0.100 0.000 0.903 194 L HN -0.538 7.741 8.230 0.082 0.000 0.435 195 K N -2.317 118.137 120.400 0.091 0.000 2.228 195 K HA -0.369 3.990 4.320 0.065 0.000 0.205 195 K C 0.952 177.571 176.600 0.032 0.000 1.045 195 K CA 2.582 58.906 56.287 0.060 0.000 0.931 195 K CB -0.423 32.108 32.500 0.052 0.000 0.727 195 K HN -0.483 7.817 8.250 0.113 0.018 0.458 196 G N -3.639 105.174 108.800 0.022 0.000 2.848 196 G HA2 0.227 4.188 3.960 0.001 0.000 0.213 196 G HA3 0.227 4.187 3.960 -0.000 0.000 0.213 196 G C 0.041 174.931 174.900 -0.017 0.000 1.101 196 G CA -0.116 44.985 45.100 0.001 0.000 0.778 196 G HN -0.502 7.656 8.290 0.028 0.150 0.536 197 R N 0.352 120.845 120.500 -0.011 0.000 2.300 197 R HA 0.137 4.445 4.340 -0.054 0.000 0.199 197 R C 0.204 176.485 176.300 -0.031 0.000 0.920 197 R CA -1.163 54.919 56.100 -0.030 0.000 1.046 197 R CB 0.463 30.753 30.300 -0.016 0.000 0.984 197 R HN -0.331 7.731 8.270 0.008 0.212 0.493 198 T N 2.773 117.317 114.554 -0.016 0.000 2.923 198 T HA -0.349 4.004 4.350 0.005 0.000 0.309 198 T C -1.630 173.012 174.700 -0.097 0.000 1.059 198 T CA 2.608 64.695 62.100 -0.021 0.000 1.133 198 T CB 0.685 69.555 68.868 0.003 0.000 1.053 198 T HN 0.031 8.131 8.240 0.001 0.141 0.530 199 L N 1.418 122.585 121.223 -0.094 0.000 2.397 199 L HA 0.337 4.435 4.340 -0.403 0.000 0.251 199 L C -1.012 175.788 176.870 -0.115 0.000 1.064 199 L CA -1.901 52.816 54.840 -0.205 0.000 0.859 199 L CB 2.449 44.467 42.059 -0.069 0.000 1.468 199 L HN -0.081 8.133 8.230 -0.026 0.000 0.411 200 Y N -1.012 119.343 120.300 0.091 0.000 2.359 200 Y HA 0.311 4.916 4.550 0.092 0.000 0.334 200 Y C -1.587 174.363 175.900 0.083 0.000 1.058 200 Y CA -1.975 56.180 58.100 0.093 0.000 1.244 200 Y CB 0.059 38.581 38.460 0.102 0.000 1.187 200 Y HN 1.071 9.083 8.280 -0.261 0.110 0.510 201 P HA 0.000 4.531 4.420 0.185 0.000 0.276 201 P C -1.436 175.909 177.300 0.075 0.000 1.243 201 P CA -0.077 63.139 63.100 0.193 0.000 0.768 201 P CB 0.668 32.571 31.700 0.338 0.000 0.856 202 S N 2.041 117.786 115.700 0.076 0.000 2.570 202 S HA 0.363 4.904 4.470 0.013 -0.063 0.286 202 S C -2.150 172.498 174.600 0.082 0.000 1.099 202 S CA -0.827 57.407 58.200 0.057 0.000 0.913 202 S CB 3.774 67.030 63.200 0.094 0.000 1.085 202 S HN 0.393 8.660 8.310 0.097 0.101 0.480 203 V N 1.076 121.049 119.914 0.098 0.000 2.760 203 V HA 0.293 4.552 4.120 0.231 0.000 0.309 203 V C -2.854 173.386 176.094 0.242 0.000 1.077 203 V CA -1.867 60.550 62.300 0.196 0.000 0.910 203 V CB 3.191 35.125 31.823 0.184 0.000 1.008 203 V HN -0.025 8.208 8.190 0.070 0.000 0.424 204 S N 7.474 123.376 115.700 0.336 0.000 2.478 204 S HA 0.450 5.225 4.470 0.264 -0.147 0.312 204 S C -1.950 173.002 174.600 0.587 0.000 1.094 204 S CA -0.828 57.578 58.200 0.343 0.000 1.081 204 S CB 2.529 65.879 63.200 0.250 0.000 1.007 204 S HN 0.936 9.371 8.310 0.380 0.103 0.475 205 A N 5.537 128.634 122.820 0.462 0.000 2.317 205 A HA 0.461 5.192 4.320 0.685 0.000 0.327 205 A C -2.228 175.585 177.584 0.382 0.000 1.178 205 A CA -1.642 50.687 52.037 0.486 0.000 0.817 205 A CB 2.421 21.655 19.000 0.390 0.000 1.189 205 A HN 0.494 8.831 8.150 0.312 0.000 0.489 206 V N 2.000 122.215 119.914 0.501 0.000 3.871 206 V HA 0.099 4.400 4.120 0.302 0.000 0.274 206 V C 0.712 176.957 176.094 0.252 0.000 1.104 206 V CA -2.021 60.508 62.300 0.383 0.000 0.852 206 V CB 1.477 33.613 31.823 0.522 0.000 1.222 206 V HN 0.205 8.801 8.190 0.677 0.000 0.420 207 W N -1.189 120.178 121.300 0.111 0.000 2.026 207 W HA -0.210 4.628 4.660 -0.002 -0.179 0.349 207 W C 1.520 178.094 176.519 0.092 0.000 1.329 207 W CA 2.236 59.614 57.345 0.056 0.000 1.423 207 W CB 0.536 30.040 29.460 0.074 0.000 1.324 207 W HN 0.173 8.699 8.180 0.577 0.000 0.671 208 G N -1.770 107.233 108.800 0.338 0.000 2.920 208 G HA2 -0.179 4.055 3.960 0.456 0.000 0.208 208 G HA3 -0.179 3.963 3.960 0.303 0.000 0.208 208 G C -0.061 175.045 174.900 0.343 0.000 1.159 208 G CA 0.727 46.039 45.100 0.352 0.000 0.784 208 G HN 0.069 8.596 8.290 0.348 -0.028 0.535 209 Q N -1.166 118.861 119.800 0.379 0.000 2.172 209 Q HA -0.135 4.327 4.340 0.203 0.000 0.200 209 Q C 0.253 176.368 176.000 0.191 0.000 0.964 209 Q CA 2.474 58.422 55.803 0.242 0.000 0.855 209 Q CB 0.233 29.087 28.738 0.194 0.000 0.918 209 Q HN 0.134 8.630 8.270 0.519 0.085 0.444 210 C N -3.366 116.074 119.300 0.234 0.000 2.791 210 C HA 0.093 4.653 4.460 0.167 0.000 0.270 210 C C -1.532 173.500 174.990 0.070 0.000 1.257 210 C CA -1.561 57.578 59.018 0.201 0.000 1.699 210 C CB 1.623 29.577 27.740 0.356 0.000 1.904 210 C HN -0.725 7.687 8.230 0.302 0.000 0.603 211 Q N -0.798 119.057 119.800 0.091 0.000 3.452 211 Q HA -0.361 4.019 4.340 0.067 0.000 0.284 211 Q C -1.255 174.526 176.000 -0.366 0.000 1.520 211 Q CA 0.375 56.138 55.803 -0.067 0.000 0.781 211 Q CB -1.475 27.239 28.738 -0.040 0.000 1.033 211 Q HN -0.422 7.779 8.270 0.202 0.190 0.479 212 V N 2.655 122.170 119.914 -0.665 0.000 2.686 212 V HA 0.230 4.004 4.120 -0.732 -0.093 0.295 212 V C -0.920 174.649 176.094 -0.875 0.000 1.057 212 V CA -1.251 60.489 62.300 -0.933 0.000 1.012 212 V CB 1.483 32.251 31.823 -1.759 0.000 1.006 212 V HN 0.105 7.941 8.190 -0.589 0.000 0.477 213 R N 6.944 127.034 120.500 -0.683 0.000 2.528 213 R HA 0.200 3.767 4.340 -1.289 0.000 0.271 213 R C -1.414 174.538 176.300 -0.579 0.000 1.056 213 R CA -1.108 54.513 56.100 -0.798 0.000 1.117 213 R CB 1.655 31.687 30.300 -0.448 0.000 1.085 213 R HN 0.800 8.645 8.270 -0.496 0.127 0.530 214 I N -0.116 120.099 120.570 -0.592 0.000 2.607 214 I HA 0.475 4.915 4.170 0.047 -0.242 0.290 214 I C -1.163 175.071 176.117 0.196 0.000 1.129 214 I CA -1.215 60.079 61.300 -0.010 0.000 1.042 214 I CB 3.724 41.888 38.000 0.273 0.000 1.242 214 I HN 0.233 7.809 8.210 -1.056 0.000 0.421 215 R N 7.215 127.850 120.500 0.225 0.000 2.468 215 R HA 0.382 4.900 4.340 0.296 0.000 0.302 215 R C -2.261 174.226 176.300 0.311 0.000 1.041 215 R CA -1.369 54.882 56.100 0.252 0.000 0.899 215 R CB 2.792 33.181 30.300 0.150 0.000 1.167 215 R HN 0.874 9.118 8.270 0.214 0.154 0.483 216 Y N 5.962 126.399 120.300 0.229 0.000 2.377 216 Y HA 0.124 4.874 4.550 0.333 0.000 0.339 216 Y C -1.596 174.414 175.900 0.184 0.000 1.011 216 Y CA -0.566 57.682 58.100 0.247 0.000 1.093 216 Y CB 2.721 41.299 38.460 0.196 0.000 1.201 216 Y HN 0.283 8.830 8.280 0.446 0.000 0.455 217 M N 6.840 126.675 119.600 0.391 0.000 2.267 217 M HA 0.327 5.014 4.480 0.344 0.000 0.289 217 M C -1.511 175.010 176.300 0.368 0.000 1.043 217 M CA -0.262 55.239 55.300 0.334 0.000 0.928 217 M CB 2.778 35.473 32.600 0.159 0.000 1.613 217 M HN 0.576 8.853 8.290 -0.022 0.000 0.450 218 G N 3.396 112.418 108.800 0.370 0.000 2.380 218 G HA2 -0.269 3.835 3.960 0.239 0.000 0.197 218 G HA3 -0.269 3.940 3.960 0.414 0.000 0.197 218 G C -1.665 173.430 174.900 0.325 0.000 1.001 218 G CA -0.109 45.201 45.100 0.350 0.000 0.668 218 G HN 0.436 8.908 8.290 0.304 0.000 0.483 219 E N 0.973 121.357 120.200 0.306 0.000 2.248 219 E HA 0.194 4.514 4.350 -0.049 0.000 0.272 219 E C -0.998 175.532 176.600 -0.117 0.000 1.008 219 E CA -0.507 55.837 56.400 -0.094 0.000 0.856 219 E CB 0.927 30.169 29.700 -0.762 0.000 1.120 219 E HN 0.064 8.676 8.360 0.524 0.063 0.397 220 R N 2.125 122.549 120.500 -0.127 0.000 3.405 220 R HA 0.299 4.570 4.340 -0.115 0.000 0.194 220 R C -0.832 175.382 176.300 -0.143 0.000 1.259 220 R CA -0.775 55.259 56.100 -0.109 0.000 0.805 220 R CB 1.807 32.082 30.300 -0.042 0.000 1.390 220 R HN 0.195 8.389 8.270 -0.128 0.000 0.447 221 R N 1.308 121.746 120.500 -0.104 0.000 3.101 221 R HA 0.198 4.471 4.340 -0.111 0.000 0.242 221 R C -1.333 174.929 176.300 -0.063 0.000 1.831 221 R CA -0.295 55.743 56.100 -0.103 0.000 1.321 221 R CB 0.764 30.984 30.300 -0.133 0.000 1.512 221 R HN 0.202 8.427 8.270 -0.075 0.000 0.568 222 V N 2.807 122.693 119.914 -0.046 0.000 3.099 222 V HA -0.218 3.891 4.120 -0.018 0.000 0.283 222 V C -0.274 175.802 176.094 -0.029 0.000 1.363 222 V CA 1.964 64.248 62.300 -0.027 0.000 1.422 222 V CB 0.665 32.477 31.823 -0.019 0.000 0.944 222 V HN 0.149 8.309 8.190 -0.049 0.000 0.527 223 E N 4.133 124.321 120.200 -0.021 0.000 1.920 223 E HA -0.104 4.233 4.350 -0.021 0.000 0.250 223 E C -0.879 175.711 176.600 -0.016 0.000 1.075 223 E CA 1.188 57.576 56.400 -0.021 0.000 1.683 223 E CB 0.409 30.094 29.700 -0.025 0.000 3.768 223 E HN 0.511 8.862 8.360 -0.015 0.000 0.959 224 E N -1.900 118.291 120.200 -0.014 0.000 1.338 224 E HA -0.054 4.288 4.350 -0.014 0.000 0.206 224 E C -0.967 175.627 176.600 -0.011 0.000 0.983 224 E CA 0.673 57.065 56.400 -0.013 0.000 1.002 224 E CB -0.159 29.533 29.700 -0.014 0.000 4.624 224 E HN 0.014 8.365 8.360 -0.014 0.000 0.692 225 T N 3.424 117.973 114.554 -0.009 0.000 2.923 225 T HA -0.245 4.103 4.350 -0.004 0.000 0.309 225 T C 0.281 174.981 174.700 -0.001 0.000 1.059 225 T CA 0.668 62.766 62.100 -0.004 0.000 1.133 225 T CB 0.816 69.682 68.868 -0.003 0.000 1.053 225 T HN -0.160 8.073 8.240 -0.011 0.000 0.530 226 R N 5.071 125.572 120.500 0.001 0.000 2.402 226 R HA -0.111 4.228 4.340 -0.002 0.000 0.331 226 R C 0.088 176.398 176.300 0.017 0.000 1.040 226 R CA 0.446 56.548 56.100 0.004 0.000 0.980 226 R CB -0.942 29.360 30.300 0.003 0.000 0.967 226 R HN 0.355 8.625 8.270 0.000 0.000 0.440 227 R N 3.900 124.416 120.500 0.026 0.000 2.730 227 R HA 0.149 4.510 4.340 0.034 0.000 0.228 227 R C -0.096 176.241 176.300 0.062 0.000 1.312 227 R CA -0.855 55.269 56.100 0.040 0.000 1.093 227 R CB 1.496 31.820 30.300 0.040 0.000 1.583 227 R HN -0.086 8.197 8.270 0.021 0.000 0.535 228 I N 1.389 121.999 120.570 0.066 0.000 2.529 228 I HA -0.030 4.185 4.170 0.075 0.000 0.284 228 I C -0.011 176.181 176.117 0.125 0.000 1.082 228 I CA 0.443 61.789 61.300 0.076 0.000 1.406 228 I CB 0.345 38.375 38.000 0.049 0.000 1.405 228 I HN -0.035 8.208 8.210 0.056 0.000 0.548 229 H N 8.989 128.066 119.070 0.011 0.000 2.488 229 H HA 0.224 4.787 4.556 0.012 0.000 0.237 229 H C -0.827 174.506 175.328 0.009 0.000 1.395 229 H CA 0.291 56.345 56.048 0.010 0.000 1.491 229 H CB 0.092 29.858 29.762 0.008 0.000 1.567 229 H HN 0.224 8.595 8.280 0.151 0.000 0.508 230 R N 2.577 122.934 120.500 -0.240 0.000 2.571 230 R HA 0.001 4.149 4.340 -0.321 0.000 0.104 230 R C -0.931 175.297 176.300 -0.121 0.000 0.542 230 R CA 0.387 56.361 56.100 -0.211 0.000 0.773 230 R CB 0.137 30.385 30.300 -0.087 0.000 0.982 230 R HN 0.177 8.360 8.270 -0.145 0.000 0.596 231 D N 0.000 120.333 120.400 -0.112 0.000 6.856 231 D HA 0.000 4.617 4.640 -0.038 0.000 0.175 231 D CA 0.000 53.965 54.000 -0.059 0.000 0.868 231 D CB 0.000 40.765 40.800 -0.059 0.000 0.688 231 D HN 0.000 8.284 8.370 -0.144 0.000 0.683