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 1lyk_1_B DATA FIRST_RESID 8 DATA SEQUENCE SVTcPGGQST SNSQccVWFD VLDDLQTNFY QGSKcESPVR KILRIVFHDA DATA SEQUENCE IGFSPALTAA GQFGGGGADG SIIAHSNIEL AFPANGGLTD TVEALRAVGI DATA SEQUENCE NHGVSFGDLI QFATAVGMSN cPGSPRLEFL TGRSNSSQPS PPSLIPGPGN DATA SEQUENCE TVTAILDRMG DAGFSPDEVV DLLAAHSLAS QEGLNSAIFR SPLDSTPQVF DATA SEQUENCE DTQFYIETLL KGTTQPGPSL GFAEELSPFP GEFRMRSDAL LARDSRTAcR DATA SEQUENCE WQSMTSSNEV MGQRYRAAMA KMSVLGFDRN ALTDcSDVIP SAVSNNAAPV DATA SEQUENCE IPGGLTVDDI EVScPSEPFP EIATASGPLP SLAPAP 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.623 174.600 0.039 0.000 1.055 8 S CA 0.000 58.223 58.200 0.038 0.000 1.107 8 S CB 0.000 63.219 63.200 0.033 0.000 0.593 9 V N 1.478 121.422 119.914 0.049 0.000 2.932 9 V HA 0.774 4.894 4.120 -0.000 0.000 0.307 9 V C -1.305 174.817 176.094 0.047 0.000 1.147 9 V CA -0.146 62.182 62.300 0.046 0.000 0.951 9 V CB 2.230 34.086 31.823 0.056 0.000 1.031 9 V HN 0.933 nan 8.190 nan 0.000 0.426 10 T N 6.026 120.596 114.554 0.027 0.000 2.743 10 T HA 0.412 4.762 4.350 -0.000 0.000 0.292 10 T C 0.027 174.732 174.700 0.008 0.000 0.972 10 T CA -0.160 61.944 62.100 0.006 0.000 0.967 10 T CB 0.403 69.266 68.868 -0.008 0.000 0.926 10 T HN 0.918 nan 8.240 nan 0.000 0.459 11 c N 5.195 123.796 118.600 0.001 0.000 2.649 11 c HA 0.173 4.743 4.570 -0.000 0.000 0.377 11 c C -0.261 173.820 174.090 -0.016 0.000 1.321 11 c CA -1.248 55.092 56.329 0.019 0.000 2.368 11 c CB 0.268 42.815 42.510 0.062 0.000 2.597 11 c HN 0.687 nan 8.230 nan 0.000 0.678 12 P HA -0.118 nan 4.420 nan 0.000 0.217 12 P C 1.314 178.600 177.300 -0.023 0.000 1.158 12 P CA 2.025 65.122 63.100 -0.005 0.000 0.887 12 P CB -0.062 31.642 31.700 0.008 0.000 0.792 13 G N -2.463 106.315 108.800 -0.037 0.000 3.155 13 G HA2 0.246 4.206 3.960 -0.000 0.000 0.213 13 G HA3 0.246 4.206 3.960 -0.000 0.000 0.213 13 G C 1.137 175.981 174.900 -0.092 0.000 1.196 13 G CA 0.508 45.576 45.100 -0.054 0.000 0.846 13 G HN 0.480 nan 8.290 nan 0.000 0.516 14 G N -0.754 107.990 108.800 -0.094 0.000 2.268 14 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.240 14 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.240 14 G C 0.460 175.267 174.900 -0.155 0.000 1.010 14 G CA 0.210 45.251 45.100 -0.099 0.000 0.618 14 G HN 0.639 nan 8.290 nan 0.000 0.516 15 Q N 1.261 120.887 119.800 -0.289 0.000 2.311 15 Q HA 0.574 4.914 4.340 -0.000 0.000 0.272 15 Q C 0.479 176.313 176.000 -0.276 0.000 1.012 15 Q CA 0.676 56.214 55.803 -0.442 0.000 0.891 15 Q CB 1.420 29.465 28.738 -1.155 0.000 1.201 15 Q HN 0.334 nan 8.270 nan 0.000 0.391 16 S N 1.436 117.055 115.700 -0.135 0.000 2.616 16 S HA 0.687 5.157 4.470 -0.000 0.000 0.277 16 S C -0.404 174.254 174.600 0.096 0.000 1.234 16 S CA -0.225 57.969 58.200 -0.011 0.000 1.028 16 S CB 1.018 64.221 63.200 0.005 0.000 0.988 16 S HN 0.652 nan 8.310 nan 0.000 0.522 17 T N 0.260 114.899 114.554 0.141 0.000 2.749 17 T HA 0.370 4.720 4.350 -0.000 0.000 0.310 17 T C 0.827 175.606 174.700 0.133 0.000 1.496 17 T CA 0.079 62.304 62.100 0.209 0.000 1.006 17 T CB 0.701 69.787 68.868 0.365 0.000 1.457 17 T HN 0.708 nan 8.240 nan 0.000 0.497 18 S N 1.704 117.475 115.700 0.118 0.000 2.470 18 S HA 0.204 4.674 4.470 -0.000 0.000 0.225 18 S C 0.723 175.364 174.600 0.068 0.000 1.006 18 S CA 0.102 58.348 58.200 0.077 0.000 0.934 18 S CB -0.180 63.056 63.200 0.059 0.000 0.778 18 S HN 0.661 nan 8.310 nan 0.000 0.517 19 N N 0.491 119.242 118.700 0.086 0.000 2.264 19 N HA 0.187 4.927 4.740 -0.000 0.000 0.288 19 N C 0.381 175.948 175.510 0.095 0.000 1.094 19 N CA 0.416 53.508 53.050 0.071 0.000 0.817 19 N CB 2.327 40.843 38.487 0.049 0.000 1.604 19 N HN 0.192 nan 8.380 nan 0.000 0.473 20 S N 2.055 117.801 115.700 0.076 0.000 2.469 20 S HA -0.129 4.341 4.470 -0.000 0.000 0.238 20 S C 1.190 175.840 174.600 0.083 0.000 0.998 20 S CA 0.947 59.195 58.200 0.079 0.000 0.957 20 S CB -0.076 63.155 63.200 0.051 0.000 0.764 20 S HN 0.662 nan 8.310 nan 0.000 0.514 21 Q N -0.276 119.575 119.800 0.084 0.000 2.369 21 Q HA 0.034 4.374 4.340 -0.000 0.000 0.206 21 Q C 1.828 177.947 176.000 0.198 0.000 0.963 21 Q CA 1.165 57.028 55.803 0.101 0.000 0.894 21 Q CB -0.393 28.396 28.738 0.084 0.000 0.965 21 Q HN 0.725 nan 8.270 nan 0.000 0.475 22 c N -0.929 117.797 118.600 0.210 0.000 2.495 22 c HA -0.036 4.534 4.570 -0.000 0.000 0.275 22 c C 2.668 176.894 174.090 0.227 0.000 1.392 22 c CA -0.463 56.042 56.329 0.293 0.000 1.766 22 c CB -0.857 41.757 42.510 0.174 0.000 1.933 22 c HN 0.637 nan 8.230 nan 0.000 0.519 23 c N 0.246 118.976 118.600 0.218 0.000 2.385 23 c HA -0.165 4.405 4.570 -0.000 0.000 0.275 23 c C 2.794 176.963 174.090 0.132 0.000 1.207 23 c CA 1.694 58.187 56.329 0.273 0.000 1.760 23 c CB -1.518 41.097 42.510 0.175 0.000 2.051 23 c HN 0.541 nan 8.230 nan 0.000 0.467 24 V N -0.440 119.415 119.914 -0.099 0.000 2.469 24 V HA -0.240 3.880 4.120 -0.000 0.000 0.251 24 V C 1.937 177.755 176.094 -0.460 0.000 1.064 24 V CA 2.067 64.189 62.300 -0.298 0.000 1.066 24 V CB -0.471 31.054 31.823 -0.495 0.000 0.667 24 V HN 0.793 nan 8.190 nan 0.000 0.461 25 W N -0.948 120.181 121.300 -0.285 0.000 2.392 25 W HA -0.077 4.583 4.660 0.000 0.000 0.279 25 W C 2.169 178.428 176.519 -0.432 0.000 1.225 25 W CA 0.901 57.884 57.345 -0.603 0.000 1.233 25 W CB -0.579 28.449 29.460 -0.721 0.000 1.122 25 W HN 0.254 nan 8.180 nan 0.000 0.561 26 F N 0.482 120.485 119.950 0.088 0.000 2.234 26 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 26 F C 2.037 177.865 175.800 0.047 0.000 1.087 26 F CA 1.138 59.201 58.000 0.104 0.000 1.340 26 F CB -0.364 38.687 39.000 0.086 0.000 1.031 26 F HN -0.191 nan 8.300 nan 0.000 0.500 27 D N -0.102 120.375 120.400 0.128 0.000 2.123 27 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 27 D C 2.508 178.744 176.300 -0.107 0.000 0.976 27 D CA 1.119 55.158 54.000 0.065 0.000 0.831 27 D CB -0.614 40.244 40.800 0.096 0.000 0.974 27 D HN 0.074 nan 8.370 nan 0.000 0.469 28 V N 1.494 121.184 119.914 -0.373 0.000 2.343 28 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 28 V C 2.515 178.625 176.094 0.027 0.000 1.051 28 V CA 1.065 63.073 62.300 -0.487 0.000 1.036 28 V CB -0.537 30.968 31.823 -0.529 0.000 0.654 28 V HN 0.126 nan 8.190 nan 0.000 0.451 29 L N 1.099 122.468 121.223 0.242 0.000 1.989 29 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 29 L C 2.141 179.143 176.870 0.219 0.000 1.071 29 L CA 2.728 57.785 54.840 0.361 0.000 0.749 29 L CB -0.985 41.303 42.059 0.382 0.000 0.890 29 L HN 0.497 nan 8.230 nan 0.000 0.431 30 D N -1.363 119.143 120.400 0.178 0.000 2.123 30 D HA -0.258 4.382 4.640 -0.000 0.000 0.196 30 D C 1.907 178.287 176.300 0.134 0.000 0.992 30 D CA 1.340 55.428 54.000 0.147 0.000 0.833 30 D CB -0.137 40.743 40.800 0.133 0.000 0.954 30 D HN 0.522 nan 8.370 nan 0.000 0.455 31 D N -0.278 120.196 120.400 0.123 0.000 2.084 31 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 31 D C 2.301 178.679 176.300 0.130 0.000 0.990 31 D CA 0.846 54.923 54.000 0.129 0.000 0.826 31 D CB -0.375 40.519 40.800 0.156 0.000 0.971 31 D HN 0.303 nan 8.370 nan 0.000 0.453 32 L N 0.261 121.567 121.223 0.138 0.000 2.012 32 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 32 L C 2.740 179.754 176.870 0.239 0.000 1.073 32 L CA 1.213 56.151 54.840 0.163 0.000 0.748 32 L CB -0.468 41.719 42.059 0.213 0.000 0.891 32 L HN 0.142 nan 8.230 nan 0.000 0.431 33 Q N -0.801 119.155 119.800 0.261 0.000 2.124 33 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 33 Q C 2.173 178.280 176.000 0.179 0.000 0.977 33 Q CA 1.976 57.931 55.803 0.253 0.000 0.850 33 Q CB -0.453 28.386 28.738 0.169 0.000 0.901 33 Q HN 0.528 nan 8.270 nan 0.000 0.429 34 T N 1.494 116.132 114.554 0.140 0.000 2.809 34 T HA -0.009 4.341 4.350 -0.000 0.000 0.260 34 T C 1.526 176.284 174.700 0.096 0.000 1.039 34 T CA 1.040 63.203 62.100 0.104 0.000 1.141 34 T CB 0.053 68.975 68.868 0.090 0.000 0.869 34 T HN 0.263 nan 8.240 nan 0.000 0.437 35 N N 0.251 119.015 118.700 0.107 0.000 2.418 35 N HA 0.155 4.895 4.740 -0.000 0.000 0.199 35 N C 1.668 177.240 175.510 0.103 0.000 1.044 35 N CA 0.384 53.492 53.050 0.097 0.000 0.943 35 N CB -0.743 37.802 38.487 0.098 0.000 1.154 35 N HN 0.243 nan 8.380 nan 0.000 0.467 36 F N 1.431 121.324 119.950 -0.095 0.000 2.065 36 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 36 F C 1.632 177.300 175.800 -0.220 0.000 1.112 36 F CA 1.565 59.430 58.000 -0.225 0.000 1.212 36 F CB -0.166 38.587 39.000 -0.411 0.000 0.975 36 F HN 0.076 nan 8.300 nan 0.000 0.476 37 Y N 0.654 120.949 120.300 -0.007 0.000 2.471 37 Y HA 0.056 4.606 4.550 -0.000 0.000 0.286 37 Y C 0.485 176.343 175.900 -0.070 0.000 1.188 37 Y CA -0.218 57.812 58.100 -0.118 0.000 1.286 37 Y CB -0.433 38.004 38.460 -0.039 0.000 1.072 37 Y HN 0.160 nan 8.280 nan 0.000 0.517 38 Q N 0.157 120.005 119.800 0.080 0.000 2.416 38 Q HA -0.257 4.083 4.340 -0.000 0.000 0.319 38 Q C 0.907 176.943 176.000 0.060 0.000 1.318 38 Q CA 0.771 56.606 55.803 0.054 0.000 0.915 38 Q CB -2.111 26.639 28.738 0.019 0.000 1.184 38 Q HN 0.790 nan 8.270 nan 0.000 0.444 39 G N -0.871 107.978 108.800 0.081 0.000 2.215 39 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.198 39 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.198 39 G C 0.185 175.116 174.900 0.051 0.000 1.047 39 G CA -0.156 44.981 45.100 0.060 0.000 0.747 39 G HN 0.852 nan 8.290 nan 0.000 0.495 40 S N -1.578 114.170 115.700 0.079 0.000 3.641 40 S HA -0.191 4.279 4.470 -0.000 0.000 0.346 40 S C 0.746 175.320 174.600 -0.043 0.000 1.074 40 S CA 1.930 60.140 58.200 0.016 0.000 1.026 40 S CB -0.855 62.346 63.200 0.002 0.000 0.908 40 S HN 1.049 nan 8.310 nan 0.000 0.479 41 K N 0.099 120.487 120.400 -0.020 0.000 2.087 41 K HA 0.500 4.819 4.320 -0.000 0.000 0.255 41 K C 0.269 176.803 176.600 -0.110 0.000 0.988 41 K CA -0.468 55.790 56.287 -0.048 0.000 0.915 41 K CB 1.209 33.702 32.500 -0.013 0.000 1.043 41 K HN 0.329 nan 8.250 nan 0.000 0.457 42 c N 3.724 122.264 118.600 -0.100 0.000 2.376 42 c HA 0.307 4.877 4.570 -0.000 0.000 0.341 42 c C -0.393 173.653 174.090 -0.074 0.000 1.106 42 c CA -0.131 56.127 56.329 -0.118 0.000 1.631 42 c CB -1.782 40.664 42.510 -0.105 0.000 1.649 42 c HN 0.756 nan 8.230 nan 0.000 0.456 43 E N 0.870 121.032 120.200 -0.063 0.000 2.475 43 E HA 0.263 4.613 4.350 -0.000 0.000 0.221 43 E C 0.867 177.436 176.600 -0.050 0.000 0.793 43 E CA -0.538 55.834 56.400 -0.047 0.000 0.922 43 E CB 0.439 30.119 29.700 -0.034 0.000 1.778 43 E HN 0.197 nan 8.360 nan 0.000 0.392 44 S N 0.480 116.151 115.700 -0.049 0.000 2.393 44 S HA -0.146 4.324 4.470 -0.000 0.000 0.234 44 S C -0.996 173.565 174.600 -0.065 0.000 1.064 44 S CA 2.367 60.535 58.200 -0.055 0.000 1.088 44 S CB -1.102 62.075 63.200 -0.038 0.000 0.939 44 S HN 0.232 nan 8.310 nan 0.000 0.448 45 P HA -0.053 nan 4.420 nan 0.000 0.216 45 P C 1.529 178.827 177.300 -0.003 0.000 1.150 45 P CA 0.960 63.915 63.100 -0.242 0.000 0.843 45 P CB -0.088 31.268 31.700 -0.573 0.000 0.787 46 V N -0.257 119.703 119.914 0.076 0.000 2.427 46 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 46 V C 2.418 178.539 176.094 0.045 0.000 1.051 46 V CA 1.705 64.058 62.300 0.087 0.000 1.048 46 V CB -0.948 30.821 31.823 -0.090 0.000 0.666 46 V HN 0.094 nan 8.190 nan 0.000 0.456 47 R N 0.086 120.585 120.500 -0.001 0.000 2.066 47 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 47 R C 2.438 178.740 176.300 0.004 0.000 1.131 47 R CA 1.006 57.096 56.100 -0.017 0.000 0.955 47 R CB -0.353 29.913 30.300 -0.057 0.000 0.851 47 R HN 0.392 nan 8.270 nan 0.000 0.432 48 K N 0.866 121.275 120.400 0.015 0.000 2.026 48 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 48 K C 2.076 178.723 176.600 0.078 0.000 1.048 48 K CA 0.832 57.140 56.287 0.035 0.000 0.929 48 K CB -0.386 32.146 32.500 0.053 0.000 0.713 48 K HN 0.155 nan 8.250 nan 0.000 0.439 49 I N 1.549 122.210 120.570 0.151 0.000 2.264 49 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 49 I C 2.220 178.407 176.117 0.116 0.000 1.111 49 I CA 1.097 62.510 61.300 0.188 0.000 1.382 49 I CB -0.556 37.642 38.000 0.329 0.000 1.060 49 I HN 0.115 nan 8.210 nan 0.000 0.418 50 L N -0.319 120.958 121.223 0.090 0.000 2.083 50 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 50 L C 2.707 179.622 176.870 0.076 0.000 1.083 50 L CA 1.088 55.978 54.840 0.083 0.000 0.752 50 L CB -0.464 41.636 42.059 0.068 0.000 0.899 50 L HN 0.172 nan 8.230 nan 0.000 0.433 51 R N -0.073 120.433 120.500 0.010 0.000 2.075 51 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 51 R C 2.292 178.445 176.300 -0.244 0.000 1.126 51 R CA 1.317 57.335 56.100 -0.137 0.000 0.963 51 R CB -0.263 29.924 30.300 -0.189 0.000 0.858 51 R HN 0.306 nan 8.270 nan 0.000 0.435 52 I N -0.091 120.431 120.570 -0.080 0.000 2.226 52 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 52 I C 2.448 178.607 176.117 0.070 0.000 1.100 52 I CA 0.998 62.293 61.300 -0.008 0.000 1.374 52 I CB -0.279 37.743 38.000 0.036 0.000 1.057 52 I HN 0.065 nan 8.210 nan 0.000 0.413 53 V N 0.843 120.819 119.914 0.103 0.000 2.295 53 V HA -0.332 3.788 4.120 -0.000 0.000 0.246 53 V C 2.261 178.484 176.094 0.216 0.000 1.049 53 V CA 2.016 64.401 62.300 0.142 0.000 1.024 53 V CB -0.316 31.581 31.823 0.124 0.000 0.648 53 V HN 0.445 nan 8.190 nan 0.000 0.447 54 F N 0.474 120.467 119.950 0.070 0.000 2.102 54 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 54 F C 2.355 178.314 175.800 0.265 0.000 1.105 54 F CA 2.272 60.351 58.000 0.132 0.000 1.239 54 F CB -0.374 38.696 39.000 0.116 0.000 0.991 54 F HN 0.345 nan 8.300 nan 0.000 0.474 55 H N -1.334 117.657 119.070 -0.131 0.000 2.421 55 H HA -0.177 4.379 4.556 -0.000 0.000 0.298 55 H C 1.544 176.847 175.328 -0.043 0.000 1.087 55 H CA 0.915 56.842 56.048 -0.202 0.000 1.330 55 H CB -0.125 29.600 29.762 -0.062 0.000 1.388 55 H HN 0.371 nan 8.280 nan 0.000 0.526 56 D N 0.700 121.197 120.400 0.162 0.000 2.091 56 D HA -0.078 4.562 4.640 -0.000 0.000 0.199 56 D C 2.342 178.741 176.300 0.164 0.000 0.980 56 D CA 1.234 55.328 54.000 0.156 0.000 0.831 56 D CB -0.137 40.752 40.800 0.149 0.000 0.987 56 D HN 0.279 nan 8.370 nan 0.000 0.460 57 A N -0.085 122.838 122.820 0.171 0.000 1.969 57 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 57 A C 2.183 179.887 177.584 0.200 0.000 1.169 57 A CA 0.798 52.948 52.037 0.187 0.000 0.635 57 A CB -0.667 18.456 19.000 0.205 0.000 0.810 57 A HN 0.356 nan 8.150 nan 0.000 0.445 58 I N 0.286 120.948 120.570 0.154 0.000 2.916 58 I HA -0.012 4.158 4.170 -0.000 0.000 0.267 58 I C 1.579 177.781 176.117 0.141 0.000 1.263 58 I CA 0.377 61.768 61.300 0.152 0.000 1.471 58 I CB -0.398 37.568 38.000 -0.057 0.000 1.089 58 I HN 0.190 nan 8.210 nan 0.000 0.468 59 G N 0.801 109.679 108.800 0.130 0.000 2.916 59 G HA2 0.249 4.209 3.960 -0.000 0.000 0.280 59 G HA3 0.249 4.209 3.960 -0.000 0.000 0.280 59 G C -0.794 174.212 174.900 0.175 0.000 0.758 59 G CA -0.052 45.120 45.100 0.121 0.000 1.993 59 G HN 0.184 nan 8.290 nan 0.000 0.564 60 F N 1.614 121.539 119.950 -0.042 0.000 2.749 60 F HA 0.549 5.076 4.527 -0.000 0.000 0.339 60 F C -0.920 174.832 175.800 -0.080 0.000 1.211 60 F CA -1.089 56.860 58.000 -0.085 0.000 1.099 60 F CB 1.846 40.832 39.000 -0.023 0.000 1.359 60 F HN 0.113 nan 8.300 nan 0.000 0.549 61 S N 7.765 123.080 115.700 -0.641 0.000 2.652 61 S HA 0.447 4.917 4.470 -0.000 0.000 0.252 61 S C -2.377 171.888 174.600 -0.558 0.000 1.219 61 S CA -1.247 56.654 58.200 -0.499 0.000 1.151 61 S CB 1.335 64.376 63.200 -0.265 0.000 1.080 61 S HN 0.471 nan 8.310 nan 0.000 0.481 62 P HA -0.030 nan 4.420 nan 0.000 0.219 62 P C 1.343 178.506 177.300 -0.228 0.000 1.146 62 P CA 1.087 63.952 63.100 -0.391 0.000 0.808 62 P CB 0.192 31.730 31.700 -0.271 0.000 0.779 63 A N -0.878 121.829 122.820 -0.188 0.000 1.898 63 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 63 A C 2.178 179.691 177.584 -0.118 0.000 1.181 63 A CA 1.195 53.159 52.037 -0.121 0.000 0.620 63 A CB -1.510 17.436 19.000 -0.090 0.000 0.819 63 A HN 0.118 nan 8.150 nan 0.000 0.442 64 L N -0.701 120.431 121.223 -0.151 0.000 2.056 64 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 64 L C 2.819 179.620 176.870 -0.115 0.000 1.078 64 L CA 1.808 56.571 54.840 -0.127 0.000 0.749 64 L CB -0.697 41.268 42.059 -0.156 0.000 0.901 64 L HN 0.371 nan 8.230 nan 0.000 0.433 65 T N -0.107 114.352 114.554 -0.158 0.000 2.684 65 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 65 T C 1.875 176.530 174.700 -0.074 0.000 1.036 65 T CA 1.419 63.448 62.100 -0.117 0.000 1.148 65 T CB -0.302 68.471 68.868 -0.159 0.000 0.863 65 T HN 0.472 nan 8.240 nan 0.000 0.436 66 A N 1.080 123.851 122.820 -0.082 0.000 2.070 66 A HA 0.225 4.545 4.320 -0.000 0.000 0.220 66 A C 2.322 179.881 177.584 -0.041 0.000 1.159 66 A CA 1.518 53.522 52.037 -0.056 0.000 0.656 66 A CB -0.659 18.307 19.000 -0.057 0.000 0.800 66 A HN 0.516 nan 8.150 nan 0.000 0.453 67 A N -1.700 121.093 122.820 -0.044 0.000 2.278 67 A HA 0.438 4.758 4.320 -0.000 0.000 0.212 67 A C 1.589 179.161 177.584 -0.020 0.000 1.213 67 A CA 0.997 53.016 52.037 -0.031 0.000 0.840 67 A CB -0.900 18.080 19.000 -0.034 0.000 0.866 67 A HN 1.845 nan 8.150 nan 0.000 0.489 68 G N -0.982 107.808 108.800 -0.018 0.000 2.149 68 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.235 68 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.235 68 G C -0.195 174.711 174.900 0.011 0.000 1.018 68 G CA 0.273 45.371 45.100 -0.003 0.000 0.728 68 G HN 0.508 nan 8.290 nan 0.000 0.508 69 Q N -1.255 118.549 119.800 0.007 0.000 2.416 69 Q HA 0.618 4.958 4.340 -0.000 0.000 0.279 69 Q C -0.380 175.662 176.000 0.071 0.000 1.101 69 Q CA -1.195 54.630 55.803 0.038 0.000 0.830 69 Q CB 1.491 30.236 28.738 0.011 0.000 1.402 69 Q HN 0.340 nan 8.270 nan 0.000 0.445 70 F N 0.821 120.748 119.950 -0.038 0.000 2.504 70 F HA 0.328 4.855 4.527 -0.000 0.000 0.369 70 F C 1.085 176.854 175.800 -0.051 0.000 1.082 70 F CA 0.115 58.092 58.000 -0.037 0.000 1.216 70 F CB 0.714 39.700 39.000 -0.023 0.000 1.108 70 F HN 0.639 nan 8.300 nan 0.000 0.554 71 G N 3.286 111.701 108.800 -0.643 0.000 3.042 71 G HA2 0.417 4.376 3.960 -0.000 0.000 0.212 71 G HA3 0.417 4.376 3.960 -0.000 0.000 0.212 71 G C 0.521 174.947 174.900 -0.789 0.000 1.166 71 G CA 0.238 44.971 45.100 -0.612 0.000 0.767 71 G HN 1.421 nan 8.290 nan 0.000 0.546 72 G N -1.814 106.041 108.800 -1.575 0.000 2.675 72 G HA2 0.320 4.280 3.960 -0.000 0.000 0.686 72 G HA3 0.320 4.280 3.960 -0.000 0.000 0.686 72 G C 0.555 175.260 174.900 -0.326 0.000 1.215 72 G CA -0.246 44.327 45.100 -0.879 0.000 0.777 72 G HN 0.938 nan 8.290 nan 0.000 0.638 73 G N 0.087 108.935 108.800 0.080 0.000 3.284 73 G HA2 0.629 4.589 3.960 -0.000 0.000 0.236 73 G HA3 0.629 4.589 3.960 -0.000 0.000 0.236 73 G C 1.636 176.617 174.900 0.135 0.000 1.158 73 G CA 1.576 46.772 45.100 0.159 0.000 0.774 73 G HN 2.590 nan 8.290 nan 0.000 0.545 74 G N 0.496 109.423 108.800 0.213 0.000 2.591 74 G HA2 0.002 3.962 3.960 -0.000 0.000 0.298 74 G HA3 0.002 3.962 3.960 -0.000 0.000 0.298 74 G C 1.160 176.207 174.900 0.244 0.000 1.195 74 G CA 0.453 45.652 45.100 0.165 0.000 0.989 74 G HN 1.342 nan 8.290 nan 0.000 0.551 75 A N 1.133 124.138 122.820 0.308 0.000 2.478 75 A HA 0.437 4.757 4.320 -0.000 0.000 0.239 75 A C 1.427 179.248 177.584 0.394 0.000 1.480 75 A CA 1.519 53.737 52.037 0.302 0.000 1.308 75 A CB -0.764 18.344 19.000 0.179 0.000 0.899 75 A HN 0.981 nan 8.150 nan 0.000 0.600 76 D N -1.685 118.990 120.400 0.458 0.000 2.339 76 D HA 0.210 4.850 4.640 -0.000 0.000 0.217 76 D C 1.130 177.628 176.300 0.329 0.000 1.050 76 D CA 0.523 54.808 54.000 0.475 0.000 0.856 76 D CB -0.493 40.573 40.800 0.443 0.000 0.922 76 D HN 0.643 nan 8.370 nan 0.000 0.518 77 G N 0.664 109.626 108.800 0.270 0.000 2.153 77 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.252 77 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.252 77 G C 1.164 176.203 174.900 0.233 0.000 0.994 77 G CA 0.925 46.178 45.100 0.256 0.000 0.698 77 G HN 0.633 nan 8.290 nan 0.000 0.521 78 S N -0.652 115.196 115.700 0.247 0.000 2.442 78 S HA 0.034 4.504 4.470 -0.000 0.000 0.236 78 S C 2.177 176.870 174.600 0.156 0.000 1.007 78 S CA 1.164 59.525 58.200 0.268 0.000 0.965 78 S CB -0.096 63.303 63.200 0.332 0.000 0.773 78 S HN 0.867 nan 8.310 nan 0.000 0.504 79 I N 0.478 121.104 120.570 0.093 0.000 2.614 79 I HA -0.064 4.106 4.170 -0.000 0.000 0.258 79 I C 1.793 177.867 176.117 -0.072 0.000 1.189 79 I CA 1.186 62.494 61.300 0.014 0.000 1.462 79 I CB -0.012 38.012 38.000 0.039 0.000 1.092 79 I HN 0.338 nan 8.210 nan 0.000 0.442 80 I N -0.096 120.389 120.570 -0.142 0.000 2.685 80 I HA -0.020 4.150 4.170 -0.000 0.000 0.251 80 I C 2.606 178.505 176.117 -0.364 0.000 1.102 80 I CA 0.861 61.937 61.300 -0.373 0.000 1.442 80 I CB -0.495 37.031 38.000 -0.789 0.000 1.194 80 I HN 0.094 nan 8.210 nan 0.000 0.448 81 A N -0.051 122.638 122.820 -0.218 0.000 1.972 81 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 81 A C 1.495 178.853 177.584 -0.377 0.000 1.169 81 A CA 1.504 53.459 52.037 -0.137 0.000 0.635 81 A CB -0.545 18.466 19.000 0.019 0.000 0.810 81 A HN 0.478 nan 8.150 nan 0.000 0.446 82 H N -0.636 118.437 119.070 0.005 0.000 2.505 82 H HA 0.180 4.736 4.556 -0.000 0.000 0.260 82 H C 1.646 176.924 175.328 -0.083 0.000 1.168 82 H CA 0.516 56.553 56.048 -0.018 0.000 0.945 82 H CB 0.097 29.866 29.762 0.010 0.000 1.800 82 H HN 0.651 nan 8.280 nan 0.000 0.586 83 S N 0.804 116.477 115.700 -0.045 0.000 2.374 83 S HA -0.293 4.177 4.470 -0.000 0.000 0.227 83 S C 1.873 176.426 174.600 -0.079 0.000 1.037 83 S CA 1.657 59.806 58.200 -0.086 0.000 1.024 83 S CB -0.528 62.610 63.200 -0.103 0.000 0.861 83 S HN 0.735 nan 8.310 nan 0.000 0.456 84 N N 1.529 120.205 118.700 -0.040 0.000 2.137 84 N HA -0.152 4.588 4.740 -0.000 0.000 0.190 84 N C 1.678 177.163 175.510 -0.042 0.000 1.017 84 N CA 1.656 54.690 53.050 -0.025 0.000 0.859 84 N CB -0.357 38.133 38.487 0.004 0.000 1.002 84 N HN 0.370 nan 8.380 nan 0.000 0.428 85 I N 1.021 121.557 120.570 -0.058 0.000 2.364 85 I HA -0.056 4.114 4.170 -0.000 0.000 0.241 85 I C 2.332 178.204 176.117 -0.408 0.000 1.082 85 I CA 0.951 62.185 61.300 -0.109 0.000 1.401 85 I CB -1.191 36.786 38.000 -0.039 0.000 1.126 85 I HN 0.258 nan 8.210 nan 0.000 0.429 86 E N 0.702 120.546 120.200 -0.594 0.000 2.118 86 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 86 E C 1.837 177.989 176.600 -0.747 0.000 0.992 86 E CA 0.959 56.649 56.400 -1.182 0.000 0.804 86 E CB -0.105 29.237 29.700 -0.597 0.000 0.741 86 E HN 0.183 nan 8.360 nan 0.000 0.458 87 L N 0.098 121.128 121.223 -0.321 0.000 2.622 87 L HA -0.027 4.313 4.340 -0.000 0.000 0.233 87 L C 1.761 178.593 176.870 -0.064 0.000 1.156 87 L CA 0.768 55.529 54.840 -0.132 0.000 0.866 87 L CB -0.485 41.531 42.059 -0.072 0.000 0.980 87 L HN 0.029 nan 8.230 nan 0.000 0.448 88 A N -2.087 120.678 122.820 -0.093 0.000 2.267 88 A HA 0.155 4.475 4.320 -0.000 0.000 0.213 88 A C 0.553 178.272 177.584 0.224 0.000 1.192 88 A CA -0.262 51.808 52.037 0.055 0.000 0.851 88 A CB -0.229 18.808 19.000 0.063 0.000 0.881 88 A HN 0.086 nan 8.150 nan 0.000 0.494 89 F N 0.257 120.221 119.950 0.023 0.000 2.484 89 F HA 0.290 4.817 4.527 -0.000 0.000 0.360 89 F C -1.326 174.482 175.800 0.014 0.000 1.101 89 F CA -2.256 55.750 58.000 0.009 0.000 1.251 89 F CB 0.140 39.137 39.000 -0.006 0.000 1.132 89 F HN 0.005 nan 8.300 nan 0.000 0.570 90 P HA -0.196 nan 4.420 nan 0.000 0.216 90 P C 1.225 178.598 177.300 0.120 0.000 1.153 90 P CA 2.322 65.488 63.100 0.110 0.000 0.858 90 P CB 0.182 31.916 31.700 0.056 0.000 0.789 91 A N -1.133 121.752 122.820 0.108 0.000 2.168 91 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 91 A C 1.528 179.222 177.584 0.183 0.000 1.152 91 A CA 1.091 53.180 52.037 0.086 0.000 0.716 91 A CB -0.867 18.072 19.000 -0.101 0.000 0.794 91 A HN 0.132 nan 8.150 nan 0.000 0.465 92 N N 0.590 119.409 118.700 0.198 0.000 2.320 92 N HA 0.146 4.886 4.740 -0.000 0.000 0.237 92 N C 0.500 176.098 175.510 0.146 0.000 1.129 92 N CA 0.427 53.609 53.050 0.221 0.000 0.854 92 N CB 0.456 39.043 38.487 0.167 0.000 1.083 92 N HN 0.375 nan 8.380 nan 0.000 0.504 93 G N -1.193 107.688 108.800 0.135 0.000 2.503 93 G HA2 0.413 4.373 3.960 -0.000 0.000 0.257 93 G HA3 0.413 4.373 3.960 -0.000 0.000 0.257 93 G C 0.963 175.916 174.900 0.088 0.000 1.214 93 G CA 0.150 45.309 45.100 0.099 0.000 0.839 93 G HN 0.224 nan 8.290 nan 0.000 0.559 94 G N -0.081 108.763 108.800 0.073 0.000 2.160 94 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.251 94 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.251 94 G C 0.711 175.646 174.900 0.058 0.000 1.008 94 G CA 0.568 45.709 45.100 0.068 0.000 0.724 94 G HN 0.777 nan 8.290 nan 0.000 0.514 95 L N -0.326 120.929 121.223 0.054 0.000 2.858 95 L HA 0.150 4.490 4.340 -0.000 0.000 0.251 95 L C 2.539 179.429 176.870 0.034 0.000 1.149 95 L CA 0.676 55.544 54.840 0.046 0.000 0.955 95 L CB -0.080 42.007 42.059 0.048 0.000 1.289 95 L HN 0.201 nan 8.230 nan 0.000 0.542 96 T N -0.040 114.531 114.554 0.028 0.000 2.607 96 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 96 T C 1.294 176.005 174.700 0.017 0.000 1.049 96 T CA 1.995 64.103 62.100 0.013 0.000 1.162 96 T CB -0.162 68.713 68.868 0.013 0.000 0.863 96 T HN 0.256 nan 8.240 nan 0.000 0.424 97 D N 0.713 121.134 120.400 0.035 0.000 2.190 97 D HA -0.074 4.566 4.640 -0.000 0.000 0.200 97 D C 2.309 178.653 176.300 0.073 0.000 0.992 97 D CA 1.227 55.255 54.000 0.046 0.000 0.854 97 D CB -0.597 40.234 40.800 0.052 0.000 0.936 97 D HN 0.390 nan 8.370 nan 0.000 0.462 98 T N -0.072 114.537 114.554 0.092 0.000 2.812 98 T HA -0.054 4.296 4.350 -0.000 0.000 0.264 98 T C 2.262 176.993 174.700 0.052 0.000 1.042 98 T CA 0.545 62.742 62.100 0.162 0.000 1.140 98 T CB -0.288 68.683 68.868 0.172 0.000 0.870 98 T HN -0.017 nan 8.240 nan 0.000 0.445 99 V N 1.819 121.729 119.914 -0.006 0.000 2.343 99 V HA -0.129 3.991 4.120 -0.000 0.000 0.247 99 V C 2.702 178.723 176.094 -0.122 0.000 1.051 99 V CA 1.502 63.749 62.300 -0.088 0.000 1.036 99 V CB -0.517 31.252 31.823 -0.090 0.000 0.654 99 V HN 0.377 nan 8.190 nan 0.000 0.451 100 E N 0.463 120.622 120.200 -0.069 0.000 2.077 100 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 100 E C 2.387 178.950 176.600 -0.062 0.000 0.989 100 E CA 1.543 57.905 56.400 -0.064 0.000 0.800 100 E CB -0.732 28.953 29.700 -0.025 0.000 0.746 100 E HN 0.559 nan 8.360 nan 0.000 0.452 101 A N 1.246 124.044 122.820 -0.038 0.000 1.865 101 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 101 A C 2.197 179.671 177.584 -0.183 0.000 1.191 101 A CA 1.413 53.420 52.037 -0.051 0.000 0.623 101 A CB -0.609 18.436 19.000 0.074 0.000 0.826 101 A HN 0.174 nan 8.150 nan 0.000 0.444 102 L N -0.401 120.650 121.223 -0.286 0.000 2.131 102 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 102 L C 2.495 179.285 176.870 -0.133 0.000 1.092 102 L CA 1.882 56.544 54.840 -0.298 0.000 0.759 102 L CB -1.092 40.782 42.059 -0.308 0.000 0.903 102 L HN 0.490 nan 8.230 nan 0.000 0.435 103 R N -0.430 119.971 120.500 -0.164 0.000 2.083 103 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 103 R C 2.211 178.564 176.300 0.087 0.000 1.137 103 R CA 1.575 57.614 56.100 -0.103 0.000 0.951 103 R CB -0.173 30.026 30.300 -0.168 0.000 0.851 103 R HN 0.335 nan 8.270 nan 0.000 0.434 104 A N 0.381 123.211 122.820 0.017 0.000 1.865 104 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 104 A C 2.315 179.930 177.584 0.052 0.000 1.191 104 A CA 1.932 53.987 52.037 0.029 0.000 0.623 104 A CB -0.872 18.131 19.000 0.005 0.000 0.826 104 A HN 0.240 nan 8.150 nan 0.000 0.444 105 V N 0.058 119.997 119.914 0.041 0.000 2.282 105 V HA -0.262 3.858 4.120 -0.000 0.000 0.249 105 V C 2.839 179.033 176.094 0.167 0.000 1.057 105 V CA 2.222 64.585 62.300 0.106 0.000 1.032 105 V CB -1.675 30.155 31.823 0.012 0.000 0.645 105 V HN 0.651 nan 8.190 nan 0.000 0.447 106 G N -0.267 108.634 108.800 0.168 0.000 2.446 106 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.217 106 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.217 106 G C 1.574 176.514 174.900 0.066 0.000 1.168 106 G CA 1.235 46.445 45.100 0.182 0.000 0.771 106 G HN 0.498 nan 8.290 nan 0.000 0.551 107 I N 1.044 121.671 120.570 0.096 0.000 2.179 107 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 107 I C 2.373 178.459 176.117 -0.052 0.000 1.088 107 I CA 0.945 62.247 61.300 0.004 0.000 1.357 107 I CB -0.273 37.752 38.000 0.042 0.000 1.051 107 I HN 0.069 nan 8.210 nan 0.000 0.409 108 N N 0.001 118.663 118.700 -0.063 0.000 2.289 108 N HA -0.167 4.573 4.740 -0.000 0.000 0.184 108 N C 1.617 176.912 175.510 -0.358 0.000 1.016 108 N CA 1.236 54.167 53.050 -0.197 0.000 0.872 108 N CB -0.350 37.998 38.487 -0.232 0.000 0.973 108 N HN 0.501 nan 8.380 nan 0.000 0.433 109 H N -1.370 117.629 119.070 -0.119 0.000 2.648 109 H HA 0.237 4.793 4.556 -0.000 0.000 0.265 109 H C 0.840 176.040 175.328 -0.214 0.000 0.961 109 H CA 0.688 56.627 56.048 -0.181 0.000 1.185 109 H CB 0.649 30.262 29.762 -0.249 0.000 1.449 109 H HN 0.214 nan 8.280 nan 0.000 0.523 110 G N 1.940 110.680 108.800 -0.100 0.000 2.212 110 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.255 110 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.255 110 G C 0.363 175.158 174.900 -0.175 0.000 1.062 110 G CA 0.489 45.507 45.100 -0.137 0.000 0.815 110 G HN 0.398 nan 8.290 nan 0.000 0.497 111 V N -2.012 117.788 119.914 -0.191 0.000 2.881 111 V HA 0.943 5.062 4.120 -0.000 0.000 0.316 111 V C 0.771 176.792 176.094 -0.122 0.000 1.070 111 V CA -0.300 61.885 62.300 -0.192 0.000 0.976 111 V CB 1.685 33.277 31.823 -0.385 0.000 1.038 111 V HN 1.425 nan 8.190 nan 0.000 0.446 112 S N 1.771 117.450 115.700 -0.035 0.000 2.576 112 S HA 0.341 4.811 4.470 -0.000 0.000 0.276 112 S C 0.557 175.187 174.600 0.049 0.000 1.339 112 S CA -0.254 57.895 58.200 -0.084 0.000 1.039 112 S CB 0.326 63.522 63.200 -0.008 0.000 0.902 112 S HN 0.589 nan 8.310 nan 0.000 0.516 113 F N 2.173 122.168 119.950 0.074 0.000 2.202 113 F HA 0.086 4.613 4.527 -0.000 0.000 0.301 113 F C 2.586 178.441 175.800 0.092 0.000 1.082 113 F CA 0.926 58.968 58.000 0.071 0.000 1.313 113 F CB -1.504 37.524 39.000 0.046 0.000 1.024 113 F HN 0.813 nan 8.300 nan 0.000 0.495 114 G N -0.214 108.739 108.800 0.254 0.000 2.433 114 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 114 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 114 G C 1.443 176.408 174.900 0.107 0.000 1.186 114 G CA 1.115 46.302 45.100 0.146 0.000 0.779 114 G HN 0.222 nan 8.290 nan 0.000 0.543 115 D N -0.010 120.467 120.400 0.127 0.000 2.117 115 D HA -0.081 4.559 4.640 -0.000 0.000 0.197 115 D C 2.398 178.903 176.300 0.342 0.000 0.987 115 D CA 0.463 54.579 54.000 0.193 0.000 0.829 115 D CB -0.381 40.618 40.800 0.332 0.000 0.961 115 D HN 0.196 nan 8.370 nan 0.000 0.460 116 L N 0.820 122.291 121.223 0.413 0.000 2.012 116 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 116 L C 2.158 179.186 176.870 0.263 0.000 1.073 116 L CA 1.385 56.466 54.840 0.402 0.000 0.748 116 L CB -0.475 41.781 42.059 0.327 0.000 0.891 116 L HN 0.030 nan 8.230 nan 0.000 0.431 117 I N -0.906 119.784 120.570 0.199 0.000 2.208 117 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 117 I C 2.453 178.646 176.117 0.128 0.000 1.097 117 I CA 1.034 62.415 61.300 0.136 0.000 1.363 117 I CB -0.393 37.681 38.000 0.123 0.000 1.051 117 I HN 0.404 nan 8.210 nan 0.000 0.413 118 Q N -0.102 119.786 119.800 0.147 0.000 2.119 118 Q HA -0.193 4.147 4.340 -0.000 0.000 0.201 118 Q C 2.149 178.200 176.000 0.085 0.000 0.972 118 Q CA 1.668 57.551 55.803 0.133 0.000 0.847 118 Q CB -0.558 28.271 28.738 0.152 0.000 0.903 118 Q HN 0.494 nan 8.270 nan 0.000 0.433 119 F N 1.345 121.206 119.950 -0.148 0.000 2.084 119 F HA -0.175 4.352 4.527 -0.000 0.000 0.296 119 F C 2.264 177.909 175.800 -0.257 0.000 1.111 119 F CA 1.403 59.033 58.000 -0.617 0.000 1.224 119 F CB -0.152 38.347 39.000 -0.836 0.000 0.991 119 F HN 0.069 nan 8.300 nan 0.000 0.471 120 A N -0.524 122.300 122.820 0.006 0.000 1.940 120 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 120 A C 2.123 179.761 177.584 0.090 0.000 1.176 120 A CA 2.344 54.431 52.037 0.084 0.000 0.631 120 A CB -1.414 17.665 19.000 0.130 0.000 0.814 120 A HN 0.465 nan 8.150 nan 0.000 0.446 121 T N 0.103 114.671 114.554 0.023 0.000 2.737 121 T HA 0.014 4.364 4.350 -0.000 0.000 0.265 121 T C 2.275 176.910 174.700 -0.109 0.000 1.038 121 T CA 1.579 63.683 62.100 0.007 0.000 1.144 121 T CB -0.477 68.402 68.868 0.018 0.000 0.866 121 T HN 0.615 nan 8.240 nan 0.000 0.434 122 A N 0.997 123.692 122.820 -0.208 0.000 1.865 122 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 122 A C 2.590 179.965 177.584 -0.349 0.000 1.191 122 A CA 1.588 53.454 52.037 -0.284 0.000 0.623 122 A CB -1.100 17.675 19.000 -0.375 0.000 0.826 122 A HN 0.346 nan 8.150 nan 0.000 0.444 123 V N -0.114 119.514 119.914 -0.477 0.000 2.358 123 V HA -0.144 3.976 4.120 -0.000 0.000 0.246 123 V C 2.807 178.685 176.094 -0.360 0.000 1.047 123 V CA 1.857 63.911 62.300 -0.410 0.000 1.035 123 V CB -1.419 30.139 31.823 -0.443 0.000 0.658 123 V HN 0.632 nan 8.190 nan 0.000 0.452 124 G N -0.618 107.977 108.800 -0.341 0.000 2.418 124 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 124 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 124 G C 1.599 176.233 174.900 -0.445 0.000 1.158 124 G CA 0.997 45.687 45.100 -0.684 0.000 0.771 124 G HN 0.417 nan 8.290 nan 0.000 0.545 125 M N 1.709 121.137 119.600 -0.286 0.000 2.296 125 M HA -0.074 4.406 4.480 -0.000 0.000 0.265 125 M C 2.891 179.043 176.300 -0.247 0.000 1.064 125 M CA 1.472 56.616 55.300 -0.259 0.000 1.109 125 M CB -0.256 32.192 32.600 -0.253 0.000 1.396 125 M HN 0.432 nan 8.290 nan 0.000 0.430 126 S N 0.194 115.748 115.700 -0.244 0.000 2.469 126 S HA -0.117 4.353 4.470 -0.000 0.000 0.238 126 S C 1.097 175.594 174.600 -0.171 0.000 0.998 126 S CA 1.268 59.355 58.200 -0.188 0.000 0.957 126 S CB -0.882 62.213 63.200 -0.175 0.000 0.764 126 S HN 0.596 nan 8.310 nan 0.000 0.514 127 N N -0.107 118.459 118.700 -0.223 0.000 2.398 127 N HA 0.183 4.923 4.740 -0.000 0.000 0.188 127 N C -0.735 174.688 175.510 -0.145 0.000 1.122 127 N CA 0.019 52.955 53.050 -0.191 0.000 0.866 127 N CB 0.172 38.497 38.487 -0.270 0.000 0.970 127 N HN 0.344 nan 8.380 nan 0.000 0.462 128 c N 1.972 120.489 118.600 -0.140 0.000 2.281 128 c HA 0.389 4.959 4.570 -0.000 0.000 0.323 128 c C -2.288 171.774 174.090 -0.047 0.000 1.270 128 c CA -2.003 54.275 56.329 -0.086 0.000 1.559 128 c CB 1.063 43.522 42.510 -0.085 0.000 2.239 128 c HN 0.138 nan 8.230 nan 0.000 0.488 129 P HA 0.236 nan 4.420 nan 0.000 0.262 129 P C 0.989 178.316 177.300 0.045 0.000 1.182 129 P CA 1.797 64.898 63.100 0.002 0.000 0.761 129 P CB 0.338 32.039 31.700 0.002 0.000 0.795 130 G N 1.670 110.501 108.800 0.052 0.000 2.234 130 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.235 130 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.235 130 G C 0.361 175.370 174.900 0.181 0.000 0.997 130 G CA -0.079 45.090 45.100 0.114 0.000 0.623 130 G HN 0.571 nan 8.290 nan 0.000 0.514 131 S N 3.349 119.077 115.700 0.046 0.000 2.562 131 S HA 0.498 4.968 4.470 -0.000 0.000 0.281 131 S C -1.302 173.228 174.600 -0.117 0.000 1.333 131 S CA -0.119 57.967 58.200 -0.190 0.000 1.052 131 S CB 1.527 64.541 63.200 -0.310 0.000 0.884 131 S HN 0.550 nan 8.310 nan 0.000 0.506 132 P HA 0.302 nan 4.420 nan 0.000 0.278 132 P C -0.886 176.367 177.300 -0.079 0.000 1.266 132 P CA -0.779 62.296 63.100 -0.041 0.000 0.807 132 P CB 0.740 32.458 31.700 0.030 0.000 1.094 133 R N 0.829 121.299 120.500 -0.049 0.000 2.205 133 R HA 0.356 4.696 4.340 -0.000 0.000 0.342 133 R C 0.007 176.273 176.300 -0.057 0.000 1.058 133 R CA -0.489 55.574 56.100 -0.062 0.000 0.904 133 R CB -0.305 29.971 30.300 -0.039 0.000 1.089 133 R HN 0.453 nan 8.270 nan 0.000 0.471 134 L N 2.485 123.659 121.223 -0.081 0.000 2.439 134 L HA 0.157 4.497 4.340 -0.000 0.000 0.269 134 L C 0.962 177.809 176.870 -0.039 0.000 1.179 134 L CA 0.055 54.852 54.840 -0.072 0.000 0.828 134 L CB 0.606 42.607 42.059 -0.097 0.000 1.106 134 L HN 0.569 nan 8.230 nan 0.000 0.467 135 E N 1.795 121.979 120.200 -0.026 0.000 2.390 135 E HA 0.119 4.469 4.350 -0.000 0.000 0.261 135 E C -1.543 175.092 176.600 0.058 0.000 1.076 135 E CA -0.393 56.006 56.400 -0.002 0.000 0.905 135 E CB 0.877 30.560 29.700 -0.028 0.000 0.984 135 E HN 0.362 nan 8.360 nan 0.000 0.427 136 F N 5.178 125.051 119.950 -0.128 0.000 2.671 136 F HA 0.365 4.892 4.527 -0.000 0.000 0.332 136 F C -1.821 173.865 175.800 -0.190 0.000 1.189 136 F CA -0.749 57.149 58.000 -0.170 0.000 0.988 136 F CB 0.642 39.536 39.000 -0.177 0.000 1.258 136 F HN 0.314 nan 8.300 nan 0.000 0.471 137 L N 4.636 125.402 121.223 -0.763 0.000 2.334 137 L HA 0.694 5.034 4.340 -0.000 0.000 0.272 137 L C 0.045 176.270 176.870 -1.074 0.000 1.020 137 L CA -0.866 53.538 54.840 -0.727 0.000 0.812 137 L CB 2.089 43.919 42.059 -0.380 0.000 1.264 137 L HN 0.614 nan 8.230 nan 0.000 0.439 138 T N -0.179 113.920 114.554 -0.758 0.000 2.907 138 T HA 0.684 5.034 4.350 -0.000 0.000 0.292 138 T C 0.319 174.879 174.700 -0.234 0.000 1.043 138 T CA 0.393 62.173 62.100 -0.533 0.000 1.003 138 T CB 1.694 70.345 68.868 -0.362 0.000 1.084 138 T HN 0.908 nan 8.240 nan 0.000 0.483 139 G N 2.472 111.198 108.800 -0.124 0.000 2.273 139 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.162 139 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.162 139 G C -0.008 174.843 174.900 -0.081 0.000 1.006 139 G CA -0.608 44.449 45.100 -0.072 0.000 0.704 139 G HN 0.802 nan 8.290 nan 0.000 0.487 140 R N 1.408 121.795 120.500 -0.189 0.000 2.449 140 R HA 0.445 4.785 4.340 -0.000 0.000 0.296 140 R C 0.954 177.260 176.300 0.009 0.000 1.047 140 R CA 0.533 56.470 56.100 -0.272 0.000 1.018 140 R CB 0.946 30.832 30.300 -0.689 0.000 0.962 140 R HN 0.230 nan 8.270 nan 0.000 0.428 141 S N 1.373 117.188 115.700 0.192 0.000 2.558 141 S HA -0.098 4.372 4.470 -0.000 0.000 0.287 141 S C 1.111 175.791 174.600 0.135 0.000 1.321 141 S CA -0.233 58.061 58.200 0.156 0.000 1.048 141 S CB 0.458 63.771 63.200 0.188 0.000 0.844 141 S HN 0.668 nan 8.310 nan 0.000 0.512 142 N N 2.154 120.886 118.700 0.053 0.000 2.463 142 N HA 0.074 4.814 4.740 -0.000 0.000 0.181 142 N C -0.243 175.296 175.510 0.047 0.000 1.078 142 N CA 0.173 53.222 53.050 -0.003 0.000 0.902 142 N CB 0.123 38.536 38.487 -0.123 0.000 0.970 142 N HN 0.401 nan 8.380 nan 0.000 0.451 143 S N -0.256 115.497 115.700 0.087 0.000 2.548 143 S HA 0.434 4.904 4.470 -0.000 0.000 0.277 143 S C -0.285 174.419 174.600 0.174 0.000 1.315 143 S CA -0.645 57.620 58.200 0.107 0.000 1.050 143 S CB 1.097 64.347 63.200 0.083 0.000 0.918 143 S HN 0.412 nan 8.310 nan 0.000 0.497 144 S N 2.697 118.526 115.700 0.215 0.000 2.596 144 S HA 0.559 5.029 4.470 -0.000 0.000 0.270 144 S C -1.796 173.011 174.600 0.345 0.000 1.155 144 S CA -1.122 57.249 58.200 0.286 0.000 0.827 144 S CB 1.316 64.720 63.200 0.339 0.000 1.130 144 S HN 0.555 nan 8.310 nan 0.000 0.467 145 Q N 0.245 120.178 119.800 0.222 0.000 2.345 145 Q HA 0.525 4.865 4.340 -0.000 0.000 0.268 145 Q C -2.882 173.089 176.000 -0.049 0.000 1.054 145 Q CA -2.271 53.492 55.803 -0.068 0.000 0.835 145 Q CB 1.622 30.169 28.738 -0.318 0.000 1.339 145 Q HN 0.429 nan 8.270 nan 0.000 0.447 146 P HA -0.043 nan 4.420 nan 0.000 0.266 146 P C -0.363 177.066 177.300 0.215 0.000 1.195 146 P CA 0.254 63.275 63.100 -0.133 0.000 0.768 146 P CB 0.588 32.171 31.700 -0.194 0.000 0.838 147 S N 3.718 119.578 115.700 0.267 0.000 2.565 147 S HA 0.348 4.818 4.470 -0.000 0.000 0.276 147 S C -2.256 172.554 174.600 0.350 0.000 1.326 147 S CA -1.327 57.056 58.200 0.305 0.000 1.045 147 S CB -0.387 62.994 63.200 0.302 0.000 0.918 147 S HN 0.176 nan 8.310 nan 0.000 0.505 148 P HA 0.281 nan 4.420 nan 0.000 0.272 148 P C -2.362 174.894 177.300 -0.073 0.000 1.230 148 P CA -1.160 61.997 63.100 0.095 0.000 0.788 148 P CB -0.001 31.697 31.700 -0.004 0.000 0.949 149 P HA 0.031 nan 4.420 nan 0.000 0.277 149 P C -0.315 176.692 177.300 -0.490 0.000 1.271 149 P CA -0.078 62.493 63.100 -0.882 0.000 0.795 149 P CB 0.368 31.625 31.700 -0.739 0.000 1.101 150 S N -1.634 113.764 115.700 -0.503 0.000 3.382 150 S HA -0.130 4.340 4.470 -0.000 0.000 0.293 150 S C 0.851 175.346 174.600 -0.174 0.000 1.262 150 S CA 0.755 58.798 58.200 -0.262 0.000 0.969 150 S CB -2.055 61.037 63.200 -0.181 0.000 1.136 150 S HN 0.489 nan 8.310 nan 0.000 0.635 151 L N -0.179 120.937 121.223 -0.178 0.000 2.585 151 L HA 0.354 4.694 4.340 -0.000 0.000 0.226 151 L C 0.580 177.392 176.870 -0.097 0.000 1.113 151 L CA 0.407 55.188 54.840 -0.100 0.000 0.876 151 L CB 0.066 42.084 42.059 -0.069 0.000 1.072 151 L HN 0.346 nan 8.230 nan 0.000 0.468 152 I N 1.270 121.745 120.570 -0.158 0.000 2.315 152 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 152 I C -1.999 174.060 176.117 -0.096 0.000 1.006 152 I CA -1.896 59.261 61.300 -0.239 0.000 1.265 152 I CB 1.004 38.743 38.000 -0.435 0.000 1.387 152 I HN -0.202 nan 8.210 nan 0.000 0.475 153 P HA 0.143 nan 4.420 nan 0.000 0.268 153 P C 0.010 177.385 177.300 0.125 0.000 1.205 153 P CA -0.156 63.012 63.100 0.114 0.000 0.771 153 P CB 0.681 32.511 31.700 0.216 0.000 0.858 154 G N 2.518 111.389 108.800 0.118 0.000 2.471 154 G HA2 0.408 4.368 3.960 -0.000 0.000 0.332 154 G HA3 0.408 4.368 3.960 -0.000 0.000 0.332 154 G C -1.808 173.182 174.900 0.149 0.000 1.176 154 G CA -1.355 43.833 45.100 0.147 0.000 0.949 154 G HN 0.261 nan 8.290 nan 0.000 0.488 155 P HA -0.031 nan 4.420 nan 0.000 0.222 155 P C 1.393 178.675 177.300 -0.029 0.000 1.147 155 P CA 1.262 64.407 63.100 0.074 0.000 0.790 155 P CB 0.286 32.022 31.700 0.059 0.000 0.780 156 G N -0.843 107.947 108.800 -0.018 0.000 3.042 156 G HA2 0.005 3.965 3.960 -0.000 0.000 0.212 156 G HA3 0.005 3.965 3.960 -0.000 0.000 0.212 156 G C 0.492 175.423 174.900 0.052 0.000 1.166 156 G CA -0.345 44.732 45.100 -0.040 0.000 0.767 156 G HN 0.321 nan 8.290 nan 0.000 0.546 157 N N 1.108 119.849 118.700 0.068 0.000 2.482 157 N HA 0.271 5.011 4.740 -0.000 0.000 0.260 157 N C 0.563 176.097 175.510 0.040 0.000 1.236 157 N CA 0.039 53.128 53.050 0.064 0.000 0.938 157 N CB 0.719 39.250 38.487 0.073 0.000 1.128 157 N HN 0.177 nan 8.380 nan 0.000 0.448 158 T N -1.953 112.622 114.554 0.034 0.000 2.860 158 T HA 0.074 4.424 4.350 -0.000 0.000 0.299 158 T C 1.520 176.235 174.700 0.025 0.000 1.045 158 T CA -0.886 61.226 62.100 0.020 0.000 1.071 158 T CB 0.870 69.749 68.868 0.018 0.000 0.985 158 T HN 0.141 nan 8.240 nan 0.000 0.537 159 V N 2.252 122.175 119.914 0.014 0.000 2.332 159 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 159 V C 2.994 179.109 176.094 0.034 0.000 1.055 159 V CA 2.510 64.822 62.300 0.021 0.000 1.038 159 V CB -1.432 30.392 31.823 0.002 0.000 0.651 159 V HN 1.111 nan 8.190 nan 0.000 0.450 160 T N 0.443 115.013 114.554 0.027 0.000 2.720 160 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 160 T C 2.062 176.785 174.700 0.039 0.000 1.037 160 T CA 1.666 63.784 62.100 0.031 0.000 1.144 160 T CB -0.449 68.432 68.868 0.022 0.000 0.864 160 T HN 0.591 nan 8.240 nan 0.000 0.444 161 A N 1.013 123.856 122.820 0.039 0.000 1.902 161 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 161 A C 2.301 179.921 177.584 0.060 0.000 1.181 161 A CA 1.147 53.210 52.037 0.043 0.000 0.623 161 A CB -0.717 18.307 19.000 0.041 0.000 0.818 161 A HN 0.528 nan 8.150 nan 0.000 0.443 162 I N -0.374 120.238 120.570 0.071 0.000 2.163 162 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 162 I C 2.334 178.515 176.117 0.105 0.000 1.081 162 I CA 1.087 62.445 61.300 0.096 0.000 1.353 162 I CB -0.401 37.658 38.000 0.098 0.000 1.054 162 I HN 0.269 nan 8.210 nan 0.000 0.407 163 L N 0.286 121.564 121.223 0.091 0.000 2.131 163 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 163 L C 2.116 179.044 176.870 0.097 0.000 1.092 163 L CA 1.193 56.092 54.840 0.098 0.000 0.759 163 L CB -0.711 41.396 42.059 0.080 0.000 0.903 163 L HN 0.277 nan 8.230 nan 0.000 0.435 164 D N -0.204 120.242 120.400 0.076 0.000 2.084 164 D HA -0.183 4.457 4.640 -0.000 0.000 0.196 164 D C 2.230 178.575 176.300 0.075 0.000 0.985 164 D CA 1.005 55.043 54.000 0.063 0.000 0.826 164 D CB -0.046 40.779 40.800 0.042 0.000 0.978 164 D HN 0.022 nan 8.370 nan 0.000 0.456 165 R N 0.252 120.801 120.500 0.082 0.000 2.083 165 R HA -0.065 4.275 4.340 -0.000 0.000 0.237 165 R C 2.096 178.489 176.300 0.154 0.000 1.137 165 R CA 1.298 57.454 56.100 0.093 0.000 0.951 165 R CB -0.445 29.909 30.300 0.089 0.000 0.851 165 R HN 0.099 nan 8.270 nan 0.000 0.434 166 M N -0.695 119.025 119.600 0.199 0.000 2.175 166 M HA 0.048 4.528 4.480 -0.000 0.000 0.264 166 M C 2.203 178.690 176.300 0.310 0.000 1.063 166 M CA 1.752 57.240 55.300 0.313 0.000 1.119 166 M CB -1.366 31.400 32.600 0.277 0.000 1.377 166 M HN 0.413 nan 8.290 nan 0.000 0.415 167 G N 0.143 109.059 108.800 0.194 0.000 2.418 167 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 167 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 167 G C 1.239 176.194 174.900 0.092 0.000 1.158 167 G CA 1.307 46.489 45.100 0.136 0.000 0.771 167 G HN 0.460 nan 8.290 nan 0.000 0.545 168 D N 1.116 121.565 120.400 0.081 0.000 2.123 168 D HA -0.029 4.611 4.640 -0.000 0.000 0.196 168 D C 2.619 178.950 176.300 0.052 0.000 0.992 168 D CA 1.508 55.529 54.000 0.035 0.000 0.833 168 D CB -0.432 40.373 40.800 0.009 0.000 0.954 168 D HN 0.237 nan 8.370 nan 0.000 0.455 169 A N -1.126 121.778 122.820 0.140 0.000 2.067 169 A HA 0.325 4.645 4.320 -0.000 0.000 0.219 169 A C 1.949 179.561 177.584 0.046 0.000 1.158 169 A CA 1.660 53.844 52.037 0.245 0.000 0.661 169 A CB -0.347 18.887 19.000 0.389 0.000 0.801 169 A HN 0.609 nan 8.150 nan 0.000 0.452 170 G N -3.171 105.581 108.800 -0.081 0.000 2.273 170 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.162 170 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.162 170 G C -0.171 174.498 174.900 -0.384 0.000 1.006 170 G CA -0.270 44.670 45.100 -0.266 0.000 0.704 170 G HN 0.267 nan 8.290 nan 0.000 0.487 171 F N 2.831 122.835 119.950 0.090 0.000 2.420 171 F HA 0.669 5.196 4.527 -0.000 0.000 0.342 171 F C 1.093 176.934 175.800 0.068 0.000 1.113 171 F CA -0.388 57.657 58.000 0.075 0.000 1.059 171 F CB 1.767 40.818 39.000 0.085 0.000 1.128 171 F HN 0.191 nan 8.300 nan 0.000 0.475 172 S N 2.512 118.349 115.700 0.228 0.000 2.645 172 S HA 0.374 4.844 4.470 -0.000 0.000 0.266 172 S C -2.070 172.627 174.600 0.162 0.000 1.258 172 S CA -1.134 57.158 58.200 0.153 0.000 0.990 172 S CB 1.339 64.603 63.200 0.107 0.000 0.967 172 S HN 0.354 nan 8.310 nan 0.000 0.556 173 P HA -0.095 nan 4.420 nan 0.000 0.216 173 P C 0.735 178.110 177.300 0.125 0.000 1.153 173 P CA 1.283 64.455 63.100 0.121 0.000 0.858 173 P CB -0.067 31.692 31.700 0.097 0.000 0.789 174 D N -0.496 119.969 120.400 0.109 0.000 2.104 174 D HA -0.171 4.468 4.640 -0.000 0.000 0.194 174 D C 1.856 178.217 176.300 0.101 0.000 0.994 174 D CA 1.210 55.268 54.000 0.096 0.000 0.830 174 D CB -0.526 40.317 40.800 0.072 0.000 0.959 174 D HN 0.328 nan 8.370 nan 0.000 0.452 175 E N 0.002 120.277 120.200 0.124 0.000 2.150 175 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 175 E C 2.241 178.872 176.600 0.052 0.000 0.985 175 E CA 0.303 56.781 56.400 0.129 0.000 0.814 175 E CB 0.191 30.050 29.700 0.265 0.000 0.752 175 E HN 0.081 nan 8.360 nan 0.000 0.466 176 V N 0.770 120.729 119.914 0.076 0.000 2.343 176 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 176 V C 2.288 178.418 176.094 0.061 0.000 1.051 176 V CA 1.325 63.638 62.300 0.022 0.000 1.036 176 V CB -0.309 31.570 31.823 0.093 0.000 0.654 176 V HN 0.146 nan 8.190 nan 0.000 0.451 177 V N 0.336 120.338 119.914 0.147 0.000 2.295 177 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 177 V C 2.292 178.465 176.094 0.131 0.000 1.049 177 V CA 2.212 64.640 62.300 0.214 0.000 1.024 177 V CB -0.772 31.204 31.823 0.255 0.000 0.648 177 V HN 0.561 nan 8.190 nan 0.000 0.447 178 D N 0.084 120.535 120.400 0.086 0.000 2.104 178 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 178 D C 2.029 178.439 176.300 0.183 0.000 0.994 178 D CA 0.997 55.062 54.000 0.110 0.000 0.830 178 D CB -0.358 40.493 40.800 0.086 0.000 0.959 178 D HN 0.200 nan 8.370 nan 0.000 0.452 179 L N 0.487 121.738 121.223 0.046 0.000 2.083 179 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 179 L C 2.252 179.109 176.870 -0.022 0.000 1.083 179 L CA 1.010 55.841 54.840 -0.016 0.000 0.752 179 L CB -1.014 40.853 42.059 -0.320 0.000 0.899 179 L HN 0.115 nan 8.230 nan 0.000 0.433 180 L N -0.817 120.333 121.223 -0.121 0.000 2.633 180 L HA -0.121 4.219 4.340 -0.000 0.000 0.235 180 L C 2.376 179.005 176.870 -0.402 0.000 1.163 180 L CA 0.464 55.111 54.840 -0.322 0.000 0.859 180 L CB -0.529 41.415 42.059 -0.191 0.000 0.973 180 L HN 0.227 nan 8.230 nan 0.000 0.451 181 A N 0.104 122.836 122.820 -0.147 0.000 2.070 181 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 181 A C 2.534 179.878 177.584 -0.401 0.000 1.159 181 A CA 1.414 53.285 52.037 -0.277 0.000 0.656 181 A CB -0.414 18.492 19.000 -0.156 0.000 0.800 181 A HN 0.419 nan 8.150 nan 0.000 0.453 182 A N -0.925 121.741 122.820 -0.257 0.000 2.024 182 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 182 A C 1.734 179.224 177.584 -0.157 0.000 1.164 182 A CA 1.427 53.395 52.037 -0.115 0.000 0.643 182 A CB -1.046 17.972 19.000 0.029 0.000 0.806 182 A HN 0.778 nan 8.150 nan 0.000 0.451 183 H N -1.185 117.492 119.070 -0.656 0.000 2.563 183 H HA 0.022 4.578 4.556 -0.000 0.000 0.272 183 H C 1.906 176.719 175.328 -0.859 0.000 1.005 183 H CA 0.463 55.967 56.048 -0.908 0.000 1.171 183 H CB 0.245 29.086 29.762 -1.535 0.000 1.351 183 H HN 0.563 nan 8.280 nan 0.000 0.602 184 S N 0.467 115.864 115.700 -0.506 0.000 2.562 184 S HA 0.067 4.537 4.470 -0.000 0.000 0.221 184 S C 0.740 175.262 174.600 -0.130 0.000 0.975 184 S CA 0.040 58.076 58.200 -0.274 0.000 0.918 184 S CB 0.187 63.168 63.200 -0.365 0.000 0.772 184 S HN 0.297 nan 8.310 nan 0.000 0.531 185 L N 1.809 122.966 121.223 -0.111 0.000 2.678 185 L HA 0.644 4.984 4.340 -0.000 0.000 0.250 185 L C -0.399 176.411 176.870 -0.101 0.000 1.455 185 L CA -0.431 54.374 54.840 -0.057 0.000 0.823 185 L CB 0.904 42.963 42.059 -0.001 0.000 1.107 185 L HN 0.199 nan 8.230 nan 0.000 0.514 186 A N 0.334 123.069 122.820 -0.143 0.000 2.587 186 A HA 0.930 5.250 4.320 -0.000 0.000 0.293 186 A C -0.533 176.944 177.584 -0.178 0.000 1.087 186 A CA -0.238 51.681 52.037 -0.196 0.000 0.692 186 A CB 2.163 20.948 19.000 -0.358 0.000 1.291 186 A HN 0.265 nan 8.150 nan 0.000 0.407 187 S N -0.124 115.451 115.700 -0.208 0.000 2.705 187 S HA 0.778 5.248 4.470 -0.000 0.000 0.280 187 S C -1.224 173.194 174.600 -0.304 0.000 1.174 187 S CA -0.445 57.624 58.200 -0.218 0.000 0.823 187 S CB 1.579 64.656 63.200 -0.206 0.000 1.162 187 S HN 1.704 nan 8.310 nan 0.000 0.487 188 Q N -0.381 119.179 119.800 -0.400 0.000 2.375 188 Q HA 0.704 5.044 4.340 -0.000 0.000 0.271 188 Q C -0.525 175.180 176.000 -0.492 0.000 1.074 188 Q CA -0.628 54.889 55.803 -0.477 0.000 0.808 188 Q CB 1.760 30.021 28.738 -0.794 0.000 1.327 188 Q HN 0.744 nan 8.270 nan 0.000 0.441 189 E N 1.577 121.534 120.200 -0.405 0.000 2.441 189 E HA 0.172 4.522 4.350 -0.000 0.000 0.212 189 E C 0.801 177.346 176.600 -0.091 0.000 0.840 189 E CA 0.487 56.628 56.400 -0.431 0.000 1.143 189 E CB 0.798 30.226 29.700 -0.454 0.000 1.153 189 E HN 0.870 nan 8.360 nan 0.000 0.539 190 G N 0.501 109.256 108.800 -0.076 0.000 3.126 190 G HA2 0.095 4.055 3.960 -0.000 0.000 0.224 190 G HA3 0.095 4.055 3.960 -0.000 0.000 0.224 190 G C 1.308 176.225 174.900 0.029 0.000 1.142 190 G CA -0.142 44.969 45.100 0.019 0.000 0.759 190 G HN -0.014 nan 8.290 nan 0.000 0.550 191 L N -0.477 120.715 121.223 -0.053 0.000 2.354 191 L HA 0.277 4.617 4.340 -0.000 0.000 0.212 191 L C 0.573 177.498 176.870 0.091 0.000 1.091 191 L CA 0.368 55.227 54.840 0.033 0.000 0.828 191 L CB 0.380 42.419 42.059 -0.034 0.000 0.973 191 L HN 0.113 nan 8.230 nan 0.000 0.461 192 N N -0.896 117.817 118.700 0.021 0.000 2.732 192 N HA 0.016 4.756 4.740 -0.000 0.000 0.247 192 N C 0.670 176.235 175.510 0.093 0.000 1.305 192 N CA 0.191 53.305 53.050 0.107 0.000 0.762 192 N CB 0.915 39.531 38.487 0.214 0.000 1.361 192 N HN -0.047 nan 8.380 nan 0.000 0.545 193 S N 0.408 116.180 115.700 0.120 0.000 2.440 193 S HA -0.157 4.313 4.470 -0.000 0.000 0.238 193 S C 1.902 176.600 174.600 0.164 0.000 1.010 193 S CA 1.006 59.312 58.200 0.178 0.000 0.972 193 S CB -0.082 63.203 63.200 0.142 0.000 0.774 193 S HN 0.486 nan 8.310 nan 0.000 0.501 194 A N 2.383 125.276 122.820 0.122 0.000 1.933 194 A HA 0.167 4.487 4.320 -0.000 0.000 0.218 194 A C 1.754 179.412 177.584 0.122 0.000 1.175 194 A CA 1.181 53.281 52.037 0.104 0.000 0.628 194 A CB -0.718 18.335 19.000 0.088 0.000 0.814 194 A HN 0.889 nan 8.150 nan 0.000 0.444 195 I N -4.509 116.143 120.570 0.136 0.000 3.010 195 I HA 0.447 4.617 4.170 -0.000 0.000 0.330 195 I C -0.133 176.056 176.117 0.120 0.000 1.334 195 I CA -0.955 60.424 61.300 0.132 0.000 0.945 195 I CB -0.243 37.839 38.000 0.138 0.000 2.027 195 I HN 0.081 nan 8.210 nan 0.000 0.564 196 F N 3.892 123.841 119.950 -0.001 0.000 2.623 196 F HA 0.085 4.612 4.527 -0.000 0.000 0.386 196 F C 1.499 177.282 175.800 -0.030 0.000 1.068 196 F CA 0.591 58.576 58.000 -0.025 0.000 1.265 196 F CB 0.250 39.242 39.000 -0.013 0.000 1.026 196 F HN 0.475 nan 8.300 nan 0.000 0.568 197 R N 1.759 121.887 120.500 -0.620 0.000 3.641 197 R HA -0.198 4.141 4.340 -0.000 0.000 0.286 197 R C -0.169 176.027 176.300 -0.174 0.000 1.153 197 R CA 0.624 56.464 56.100 -0.433 0.000 0.775 197 R CB -2.331 27.754 30.300 -0.358 0.000 1.215 197 R HN 0.680 nan 8.270 nan 0.000 0.474 198 S N 0.410 116.036 115.700 -0.123 0.000 2.516 198 S HA 0.340 4.810 4.470 -0.000 0.000 0.282 198 S C -1.984 172.608 174.600 -0.013 0.000 1.286 198 S CA -1.248 56.950 58.200 -0.004 0.000 1.066 198 S CB 1.142 64.395 63.200 0.087 0.000 0.884 198 S HN -0.057 nan 8.310 nan 0.000 0.491 199 P HA 0.156 nan 4.420 nan 0.000 0.272 199 P C 0.346 177.693 177.300 0.079 0.000 1.223 199 P CA -0.555 62.560 63.100 0.025 0.000 0.784 199 P CB 0.409 32.138 31.700 0.049 0.000 0.923 200 L N 0.866 122.119 121.223 0.051 0.000 2.446 200 L HA 0.168 4.508 4.340 -0.000 0.000 0.219 200 L C 0.778 177.763 176.870 0.192 0.000 1.116 200 L CA 1.557 56.474 54.840 0.129 0.000 0.844 200 L CB -0.900 41.178 42.059 0.032 0.000 0.970 200 L HN 0.479 nan 8.230 nan 0.000 0.457 201 D N -3.669 116.819 120.400 0.148 0.000 2.583 201 D HA 0.082 4.722 4.640 -0.000 0.000 0.248 201 D C 0.641 177.034 176.300 0.155 0.000 1.209 201 D CA 0.198 54.301 54.000 0.172 0.000 0.848 201 D CB 0.837 41.760 40.800 0.204 0.000 1.431 201 D HN -0.122 nan 8.370 nan 0.000 0.436 202 S N -0.382 115.438 115.700 0.199 0.000 2.547 202 S HA -0.016 4.454 4.470 -0.000 0.000 0.235 202 S C 0.898 175.542 174.600 0.075 0.000 0.980 202 S CA 0.992 59.287 58.200 0.159 0.000 0.941 202 S CB -0.975 62.311 63.200 0.143 0.000 0.763 202 S HN 0.743 nan 8.310 nan 0.000 0.532 203 T N -1.140 113.449 114.554 0.059 0.000 3.401 203 T HA 0.434 4.784 4.350 -0.000 0.000 0.341 203 T C -2.195 172.512 174.700 0.012 0.000 1.674 203 T CA -1.573 60.543 62.100 0.026 0.000 1.600 203 T CB 1.435 70.314 68.868 0.017 0.000 0.974 203 T HN 0.037 nan 8.240 nan 0.000 0.672 204 P HA -0.030 nan 4.420 nan 0.000 0.239 204 P C 0.588 177.877 177.300 -0.019 0.000 1.184 204 P CA 0.717 63.808 63.100 -0.015 0.000 0.760 204 P CB 0.227 31.916 31.700 -0.020 0.000 0.884 205 Q N -0.836 118.957 119.800 -0.011 0.000 2.171 205 Q HA 0.229 4.569 4.340 -0.000 0.000 0.218 205 Q C -0.438 175.562 176.000 -0.001 0.000 0.822 205 Q CA -0.019 55.775 55.803 -0.015 0.000 0.987 205 Q CB 1.494 30.221 28.738 -0.019 0.000 1.144 205 Q HN 0.043 nan 8.270 nan 0.000 0.494 206 V N 1.295 121.217 119.914 0.012 0.000 2.483 206 V HA 0.250 4.370 4.120 -0.000 0.000 0.297 206 V C -0.915 175.208 176.094 0.048 0.000 1.027 206 V CA -0.792 61.525 62.300 0.029 0.000 0.855 206 V CB 1.329 33.159 31.823 0.012 0.000 0.995 206 V HN 0.185 nan 8.190 nan 0.000 0.424 207 F N 6.858 126.760 119.950 -0.080 0.000 2.494 207 F HA 0.475 5.002 4.527 -0.000 0.000 0.351 207 F C 0.227 175.985 175.800 -0.070 0.000 1.205 207 F CA -0.312 57.623 58.000 -0.109 0.000 1.125 207 F CB -0.272 38.645 39.000 -0.139 0.000 1.268 207 F HN 0.758 nan 8.300 nan 0.000 0.593 208 D N 0.715 120.910 120.400 -0.342 0.000 2.652 208 D HA 0.188 4.828 4.640 -0.000 0.000 0.285 208 D C 0.510 176.678 176.300 -0.219 0.000 1.173 208 D CA -0.284 53.572 54.000 -0.239 0.000 0.981 208 D CB 0.571 41.321 40.800 -0.084 0.000 1.440 208 D HN 0.118 nan 8.370 nan 0.000 0.485 209 T N -2.862 111.637 114.554 -0.092 0.000 3.160 209 T HA -0.079 4.271 4.350 -0.000 0.000 0.257 209 T C 1.142 175.898 174.700 0.092 0.000 1.147 209 T CA 0.414 62.535 62.100 0.035 0.000 1.064 209 T CB -0.163 68.697 68.868 -0.013 0.000 0.949 209 T HN 0.186 nan 8.240 nan 0.000 0.526 210 Q N 0.617 120.447 119.800 0.049 0.000 2.152 210 Q HA -0.092 4.248 4.340 -0.000 0.000 0.206 210 Q C 1.694 177.747 176.000 0.088 0.000 0.985 210 Q CA 1.310 57.160 55.803 0.079 0.000 0.863 210 Q CB -0.811 27.973 28.738 0.076 0.000 0.904 210 Q HN 0.717 nan 8.270 nan 0.000 0.422 211 F N 0.354 120.244 119.950 -0.099 0.000 2.095 211 F HA -0.279 4.248 4.527 0.000 0.000 0.298 211 F C 1.810 177.513 175.800 -0.161 0.000 1.104 211 F CA 1.427 59.316 58.000 -0.186 0.000 1.232 211 F CB -0.575 38.188 39.000 -0.395 0.000 0.987 211 F HN 0.030 nan 8.300 nan 0.000 0.475 212 Y N 0.173 120.273 120.300 -0.334 0.000 2.242 212 Y HA -0.151 4.399 4.550 -0.000 0.000 0.291 212 Y C 2.417 178.301 175.900 -0.028 0.000 1.137 212 Y CA 1.688 59.536 58.100 -0.419 0.000 1.181 212 Y CB -0.694 37.468 38.460 -0.497 0.000 0.989 212 Y HN 0.085 nan 8.280 nan 0.000 0.527 213 I N -0.052 120.615 120.570 0.161 0.000 2.163 213 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 213 I C 2.017 178.200 176.117 0.110 0.000 1.081 213 I CA 1.528 62.950 61.300 0.203 0.000 1.353 213 I CB -0.371 37.740 38.000 0.186 0.000 1.054 213 I HN 0.187 nan 8.210 nan 0.000 0.407 214 E N 0.257 120.484 120.200 0.046 0.000 2.204 214 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 214 E C 2.015 178.549 176.600 -0.108 0.000 0.989 214 E CA 1.739 58.130 56.400 -0.015 0.000 0.824 214 E CB -0.127 29.588 29.700 0.024 0.000 0.756 214 E HN 0.607 nan 8.360 nan 0.000 0.477 215 T N -1.097 113.383 114.554 -0.124 0.000 3.055 215 T HA 0.026 4.376 4.350 -0.000 0.000 0.265 215 T C 1.767 176.409 174.700 -0.097 0.000 1.111 215 T CA 0.332 62.347 62.100 -0.141 0.000 1.118 215 T CB -0.002 68.756 68.868 -0.183 0.000 0.909 215 T HN 0.070 nan 8.240 nan 0.000 0.501 216 L N -0.056 121.162 121.223 -0.008 0.000 2.446 216 L HA 0.371 4.711 4.340 -0.000 0.000 0.219 216 L C 0.800 177.617 176.870 -0.088 0.000 1.116 216 L CA -0.027 54.796 54.840 -0.028 0.000 0.844 216 L CB -0.137 41.981 42.059 0.098 0.000 0.970 216 L HN 0.249 nan 8.230 nan 0.000 0.457 217 L N 0.716 121.885 121.223 -0.090 0.000 2.461 217 L HA 0.042 4.382 4.340 -0.000 0.000 0.272 217 L C 0.563 177.363 176.870 -0.116 0.000 1.197 217 L CA -0.085 54.695 54.840 -0.101 0.000 0.836 217 L CB 0.276 42.288 42.059 -0.078 0.000 1.105 217 L HN 0.038 nan 8.230 nan 0.000 0.477 218 K N 1.542 121.881 120.400 -0.102 0.000 2.484 218 K HA 0.075 4.395 4.320 -0.000 0.000 0.280 218 K C 0.395 176.930 176.600 -0.109 0.000 1.013 218 K CA -0.082 56.146 56.287 -0.098 0.000 1.029 218 K CB 0.245 32.699 32.500 -0.077 0.000 0.902 218 K HN 0.767 nan 8.250 nan 0.000 0.481 219 G N 1.547 110.276 108.800 -0.118 0.000 2.372 219 G HA2 0.110 4.070 3.960 -0.000 0.000 0.286 219 G HA3 0.110 4.070 3.960 -0.000 0.000 0.286 219 G C 0.793 175.633 174.900 -0.100 0.000 1.153 219 G CA -0.428 44.593 45.100 -0.132 0.000 0.985 219 G HN 0.734 nan 8.290 nan 0.000 0.429 220 T N -1.073 113.427 114.554 -0.090 0.000 2.959 220 T HA 0.223 4.573 4.350 -0.000 0.000 0.254 220 T C 0.871 175.542 174.700 -0.048 0.000 1.003 220 T CA 0.212 62.278 62.100 -0.057 0.000 0.950 220 T CB 0.533 69.382 68.868 -0.032 0.000 1.090 220 T HN 0.333 nan 8.240 nan 0.000 0.503 221 T N 2.214 116.729 114.554 -0.064 0.000 2.856 221 T HA 0.522 4.872 4.350 -0.000 0.000 0.283 221 T C -1.156 173.505 174.700 -0.065 0.000 1.008 221 T CA -0.683 61.389 62.100 -0.045 0.000 0.997 221 T CB 2.372 71.228 68.868 -0.019 0.000 0.992 221 T HN 0.281 nan 8.240 nan 0.000 0.454 222 Q N 3.541 123.317 119.800 -0.040 0.000 2.466 222 Q HA 0.249 4.588 4.340 -0.000 0.000 0.242 222 Q C -1.620 174.373 176.000 -0.010 0.000 1.046 222 Q CA -2.292 53.486 55.803 -0.041 0.000 0.841 222 Q CB 1.106 29.829 28.738 -0.026 0.000 1.193 222 Q HN 0.324 nan 8.270 nan 0.000 0.508 223 P HA -0.044 nan 4.420 nan 0.000 0.222 223 P C 0.315 177.653 177.300 0.063 0.000 1.147 223 P CA 0.657 63.781 63.100 0.039 0.000 0.790 223 P CB 0.416 32.150 31.700 0.056 0.000 0.780 224 G N -0.099 108.740 108.800 0.064 0.000 2.932 224 G HA2 0.427 4.387 3.960 -0.000 0.000 0.283 224 G HA3 0.427 4.387 3.960 -0.000 0.000 0.283 224 G C -2.133 172.800 174.900 0.055 0.000 1.336 224 G CA -1.269 43.877 45.100 0.076 0.000 1.056 224 G HN -0.217 nan 8.290 nan 0.000 0.522 225 P HA 0.058 nan 4.420 nan 0.000 0.222 225 P C 0.440 177.765 177.300 0.040 0.000 1.147 225 P CA 1.203 64.329 63.100 0.043 0.000 0.790 225 P CB 0.261 31.987 31.700 0.044 0.000 0.780 226 S N -2.817 112.913 115.700 0.050 0.000 2.588 226 S HA 0.478 4.947 4.470 -0.000 0.000 0.269 226 S C -1.308 173.325 174.600 0.055 0.000 1.157 226 S CA -0.988 57.240 58.200 0.046 0.000 0.824 226 S CB 0.639 63.869 63.200 0.049 0.000 1.126 226 S HN -0.224 nan 8.310 nan 0.000 0.464 227 L N 2.201 123.450 121.223 0.042 0.000 2.290 227 L HA 0.677 5.017 4.340 -0.000 0.000 0.284 227 L C 0.992 177.912 176.870 0.083 0.000 1.078 227 L CA 0.684 55.547 54.840 0.038 0.000 0.815 227 L CB 0.663 42.722 42.059 0.000 0.000 1.162 227 L HN 1.092 nan 8.230 nan 0.000 0.435 228 G N 2.619 111.497 108.800 0.129 0.000 2.543 228 G HA2 0.188 4.148 3.960 -0.000 0.000 0.290 228 G HA3 0.188 4.148 3.960 -0.000 0.000 0.290 228 G C -0.705 174.311 174.900 0.193 0.000 1.310 228 G CA -0.570 44.641 45.100 0.184 0.000 1.025 228 G HN 0.424 nan 8.290 nan 0.000 0.502 229 F N 0.927 120.940 119.950 0.105 0.000 2.538 229 F HA 0.365 4.892 4.527 -0.000 0.000 0.371 229 F C 1.089 176.961 175.800 0.121 0.000 1.087 229 F CA 0.170 58.224 58.000 0.090 0.000 1.250 229 F CB 0.472 39.518 39.000 0.077 0.000 1.110 229 F HN 1.179 nan 8.300 nan 0.000 0.570 230 A N 3.478 125.836 122.820 -0.770 0.000 2.860 230 A HA -0.296 4.024 4.320 -0.000 0.000 0.267 230 A C 0.432 177.891 177.584 -0.208 0.000 1.421 230 A CA 1.163 52.835 52.037 -0.609 0.000 0.831 230 A CB -2.458 16.068 19.000 -0.790 0.000 1.041 230 A HN 0.892 nan 8.150 nan 0.000 0.623 231 E N 0.196 120.312 120.200 -0.140 0.000 2.179 231 E HA 0.527 4.877 4.350 -0.000 0.000 0.275 231 E C -0.072 176.374 176.600 -0.258 0.000 0.945 231 E CA -0.703 55.560 56.400 -0.228 0.000 0.792 231 E CB 0.751 30.357 29.700 -0.158 0.000 1.125 231 E HN 0.416 nan 8.360 nan 0.000 0.397 232 E N 2.438 122.431 120.200 -0.344 0.000 2.281 232 E HA 0.273 4.623 4.350 -0.000 0.000 0.257 232 E C -0.655 175.778 176.600 -0.278 0.000 0.971 232 E CA -1.051 55.198 56.400 -0.252 0.000 0.839 232 E CB 1.003 30.574 29.700 -0.214 0.000 1.238 232 E HN 0.405 nan 8.360 nan 0.000 0.412 233 L N 1.582 122.685 121.223 -0.201 0.000 2.410 233 L HA 0.060 4.400 4.340 -0.000 0.000 0.273 233 L C 0.825 177.567 176.870 -0.212 0.000 1.144 233 L CA 0.476 55.209 54.840 -0.179 0.000 0.863 233 L CB 0.186 42.168 42.059 -0.128 0.000 1.140 233 L HN 0.529 nan 8.230 nan 0.000 0.463 234 S N 5.835 121.399 115.700 -0.227 0.000 2.713 234 S HA 0.567 5.037 4.470 -0.000 0.000 0.277 234 S C -1.883 172.546 174.600 -0.286 0.000 1.168 234 S CA -0.927 57.106 58.200 -0.278 0.000 0.994 234 S CB 1.199 64.227 63.200 -0.288 0.000 1.054 234 S HN 0.591 nan 8.310 nan 0.000 0.555 235 P HA 0.251 nan 4.420 nan 0.000 0.251 235 P C -0.423 176.723 177.300 -0.256 0.000 1.223 235 P CA 0.241 63.100 63.100 -0.401 0.000 0.796 235 P CB -0.447 30.965 31.700 -0.479 0.000 1.068 236 F N -4.115 115.822 119.950 -0.021 0.000 2.744 236 F HA 0.606 5.132 4.527 -0.000 0.000 0.311 236 F C -3.237 172.562 175.800 -0.002 0.000 1.144 236 F CA -3.183 54.811 58.000 -0.011 0.000 0.938 236 F CB -0.282 38.714 39.000 -0.006 0.000 1.292 236 F HN -0.449 nan 8.300 nan 0.000 0.444 237 P HA 0.228 nan 4.420 nan 0.000 0.264 237 P C 0.779 178.194 177.300 0.191 0.000 1.183 237 P CA 2.207 65.403 63.100 0.160 0.000 0.763 237 P CB 0.716 32.484 31.700 0.114 0.000 0.807 238 G N 1.499 110.380 108.800 0.136 0.000 2.267 238 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 238 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 238 G C 0.205 175.195 174.900 0.151 0.000 0.998 238 G CA 0.173 45.355 45.100 0.137 0.000 0.620 238 G HN 0.639 nan 8.290 nan 0.000 0.529 239 E N -0.158 120.130 120.200 0.148 0.000 2.249 239 E HA 0.618 4.968 4.350 -0.000 0.000 0.280 239 E C -0.799 175.837 176.600 0.059 0.000 1.016 239 E CA -1.063 55.392 56.400 0.091 0.000 0.830 239 E CB 0.509 30.176 29.700 -0.055 0.000 1.081 239 E HN 0.199 nan 8.360 nan 0.000 0.395 240 F N 3.785 123.710 119.950 -0.041 0.000 2.422 240 F HA 0.448 4.975 4.527 -0.000 0.000 0.333 240 F C -0.441 175.329 175.800 -0.050 0.000 1.095 240 F CA -0.740 57.233 58.000 -0.045 0.000 1.038 240 F CB 1.149 40.126 39.000 -0.039 0.000 1.156 240 F HN 0.393 nan 8.300 nan 0.000 0.483 241 R N 7.482 127.583 120.500 -0.666 0.000 2.451 241 R HA 0.394 4.734 4.340 -0.000 0.000 0.307 241 R C -1.300 174.722 176.300 -0.463 0.000 0.965 241 R CA -0.752 55.132 56.100 -0.361 0.000 0.865 241 R CB 1.430 31.549 30.300 -0.300 0.000 1.174 241 R HN 0.925 nan 8.270 nan 0.000 0.455 242 M N 4.122 123.709 119.600 -0.022 0.000 2.235 242 M HA 0.173 4.653 4.480 -0.000 0.000 0.351 242 M C 1.398 177.689 176.300 -0.015 0.000 1.178 242 M CA 0.086 55.448 55.300 0.104 0.000 1.143 242 M CB 1.150 33.918 32.600 0.279 0.000 1.530 242 M HN 0.754 nan 8.290 nan 0.000 0.461 243 R N 1.118 121.580 120.500 -0.063 0.000 2.080 243 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 243 R C 1.962 178.229 176.300 -0.056 0.000 1.137 243 R CA 2.627 58.670 56.100 -0.096 0.000 0.943 243 R CB -0.233 29.985 30.300 -0.138 0.000 0.846 243 R HN 0.951 nan 8.270 nan 0.000 0.431 244 S N 0.451 116.150 115.700 -0.002 0.000 2.370 244 S HA -0.165 4.305 4.470 -0.000 0.000 0.226 244 S C 1.485 176.101 174.600 0.026 0.000 1.033 244 S CA 1.529 59.745 58.200 0.026 0.000 1.011 244 S CB -0.407 62.844 63.200 0.084 0.000 0.852 244 S HN 0.339 nan 8.310 nan 0.000 0.457 245 D N 2.424 122.889 120.400 0.108 0.000 2.117 245 D HA 0.055 4.695 4.640 -0.000 0.000 0.197 245 D C 2.324 178.512 176.300 -0.187 0.000 0.987 245 D CA 1.464 55.553 54.000 0.148 0.000 0.829 245 D CB -0.744 40.301 40.800 0.408 0.000 0.961 245 D HN 0.543 nan 8.370 nan 0.000 0.460 246 A N 0.596 123.325 122.820 -0.153 0.000 1.902 246 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 246 A C 2.403 179.815 177.584 -0.287 0.000 1.181 246 A CA 0.990 52.888 52.037 -0.232 0.000 0.623 246 A CB -0.714 18.183 19.000 -0.172 0.000 0.818 246 A HN 0.210 nan 8.150 nan 0.000 0.443 247 L N -0.945 120.146 121.223 -0.219 0.000 2.072 247 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 247 L C 2.515 179.228 176.870 -0.263 0.000 1.079 247 L CA 0.809 55.531 54.840 -0.196 0.000 0.752 247 L CB -0.531 41.459 42.059 -0.115 0.000 0.906 247 L HN 0.334 nan 8.230 nan 0.000 0.436 248 L N -0.123 120.913 121.223 -0.312 0.000 2.131 248 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 248 L C 2.799 179.257 176.870 -0.686 0.000 1.092 248 L CA 1.087 55.721 54.840 -0.342 0.000 0.759 248 L CB -0.628 41.328 42.059 -0.170 0.000 0.903 248 L HN 0.249 nan 8.230 nan 0.000 0.435 249 A N -0.071 122.005 122.820 -1.240 0.000 2.015 249 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 249 A C 2.286 179.504 177.584 -0.610 0.000 1.163 249 A CA 1.281 52.393 52.037 -1.542 0.000 0.646 249 A CB -0.262 17.808 19.000 -1.551 0.000 0.806 249 A HN 0.377 nan 8.150 nan 0.000 0.448 250 R N -0.748 119.510 120.500 -0.403 0.000 2.335 250 R HA 0.112 4.452 4.340 -0.000 0.000 0.210 250 R C -0.056 176.161 176.300 -0.138 0.000 0.892 250 R CA -0.094 55.877 56.100 -0.215 0.000 1.048 250 R CB 0.269 30.457 30.300 -0.187 0.000 1.067 250 R HN 0.424 nan 8.270 nan 0.000 0.524 251 D N 0.849 121.165 120.400 -0.141 0.000 2.424 251 D HA -0.042 4.598 4.640 -0.000 0.000 0.244 251 D C 0.931 177.207 176.300 -0.040 0.000 1.134 251 D CA 0.194 54.148 54.000 -0.077 0.000 0.881 251 D CB 1.295 42.055 40.800 -0.065 0.000 1.191 251 D HN 0.119 nan 8.370 nan 0.000 0.445 252 S N 4.056 119.743 115.700 -0.022 0.000 2.419 252 S HA -0.205 4.265 4.470 -0.000 0.000 0.235 252 S C 1.642 176.250 174.600 0.013 0.000 1.019 252 S CA 0.743 58.941 58.200 -0.003 0.000 0.982 252 S CB 0.006 63.205 63.200 -0.002 0.000 0.789 252 S HN 0.501 nan 8.310 nan 0.000 0.490 253 R N 1.269 121.778 120.500 0.015 0.000 2.148 253 R HA 0.062 4.402 4.340 -0.000 0.000 0.223 253 R C 2.248 178.580 176.300 0.054 0.000 1.088 253 R CA 1.632 57.752 56.100 0.033 0.000 0.985 253 R CB -0.479 29.841 30.300 0.033 0.000 0.880 253 R HN 0.773 nan 8.270 nan 0.000 0.451 254 T N -3.808 110.781 114.554 0.058 0.000 2.975 254 T HA 0.367 4.717 4.350 -0.000 0.000 0.257 254 T C 1.853 176.638 174.700 0.141 0.000 1.003 254 T CA 0.169 62.336 62.100 0.112 0.000 0.932 254 T CB 0.467 69.415 68.868 0.133 0.000 1.087 254 T HN 0.104 nan 8.240 nan 0.000 0.512 255 A N 1.340 124.203 122.820 0.071 0.000 1.892 255 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 255 A C 2.492 180.159 177.584 0.139 0.000 1.188 255 A CA 1.895 53.980 52.037 0.080 0.000 0.631 255 A CB -1.534 17.479 19.000 0.022 0.000 0.822 255 A HN 0.698 nan 8.150 nan 0.000 0.447 256 c N -1.618 117.039 118.600 0.096 0.000 2.432 256 c HA 0.035 4.605 4.570 -0.000 0.000 0.280 256 c C 2.731 176.862 174.090 0.068 0.000 1.353 256 c CA 1.165 57.538 56.329 0.073 0.000 1.766 256 c CB -1.255 41.281 42.510 0.043 0.000 1.924 256 c HN 0.707 nan 8.230 nan 0.000 0.509 257 R N 0.237 120.795 120.500 0.097 0.000 2.073 257 R HA -0.056 4.284 4.340 -0.000 0.000 0.229 257 R C 2.171 178.500 176.300 0.048 0.000 1.120 257 R CA 1.262 57.397 56.100 0.058 0.000 0.967 257 R CB -0.830 29.523 30.300 0.088 0.000 0.862 257 R HN 0.707 nan 8.270 nan 0.000 0.436 258 W N 1.529 122.815 121.300 -0.024 0.000 2.338 258 W HA -0.228 4.431 4.660 -0.000 0.000 0.304 258 W C 1.761 178.242 176.519 -0.063 0.000 1.212 258 W CA 2.104 59.455 57.345 0.011 0.000 1.264 258 W CB -0.325 29.200 29.460 0.107 0.000 1.142 258 W HN 0.368 nan 8.180 nan 0.000 0.512 259 Q N 0.409 120.340 119.800 0.218 0.000 2.079 259 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 259 Q C 2.391 178.303 176.000 -0.147 0.000 0.974 259 Q CA 2.752 58.596 55.803 0.069 0.000 0.840 259 Q CB -0.379 28.409 28.738 0.083 0.000 0.898 259 Q HN 0.177 nan 8.270 nan 0.000 0.430 260 S N -0.309 115.310 115.700 -0.136 0.000 2.442 260 S HA -0.094 4.376 4.470 -0.000 0.000 0.236 260 S C 1.769 176.212 174.600 -0.262 0.000 1.007 260 S CA 0.831 58.922 58.200 -0.182 0.000 0.965 260 S CB -0.117 63.008 63.200 -0.125 0.000 0.773 260 S HN 0.347 nan 8.310 nan 0.000 0.504 261 M N 2.575 121.942 119.600 -0.389 0.000 2.619 261 M HA 0.035 4.515 4.480 -0.000 0.000 0.251 261 M C 2.191 178.206 176.300 -0.475 0.000 1.106 261 M CA 1.338 56.267 55.300 -0.619 0.000 1.086 261 M CB -1.462 30.298 32.600 -1.401 0.000 1.465 261 M HN 0.752 nan 8.290 nan 0.000 0.506 262 T N -2.110 112.263 114.554 -0.303 0.000 2.896 262 T HA -0.038 4.311 4.350 -0.000 0.000 0.263 262 T C 1.906 176.524 174.700 -0.137 0.000 1.050 262 T CA 1.458 63.464 62.100 -0.156 0.000 1.140 262 T CB -0.431 68.365 68.868 -0.119 0.000 0.877 262 T HN 0.407 nan 8.240 nan 0.000 0.457 263 S N 0.599 116.187 115.700 -0.187 0.000 2.446 263 S HA 0.208 4.678 4.470 -0.000 0.000 0.225 263 S C 1.057 175.598 174.600 -0.099 0.000 1.016 263 S CA 0.060 58.179 58.200 -0.136 0.000 0.943 263 S CB -0.188 62.916 63.200 -0.160 0.000 0.786 263 S HN 0.480 nan 8.310 nan 0.000 0.508 264 S N 0.689 116.322 115.700 -0.113 0.000 2.707 264 S HA 0.441 4.911 4.470 -0.000 0.000 0.303 264 S C 0.328 174.878 174.600 -0.083 0.000 1.132 264 S CA -0.851 57.299 58.200 -0.083 0.000 1.046 264 S CB 0.851 64.006 63.200 -0.075 0.000 1.004 264 S HN 0.215 nan 8.310 nan 0.000 0.483 265 N N 3.360 122.025 118.700 -0.058 0.000 2.188 265 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 265 N C 1.581 177.083 175.510 -0.013 0.000 1.018 265 N CA 0.954 53.974 53.050 -0.050 0.000 0.858 265 N CB -0.120 38.352 38.487 -0.026 0.000 0.989 265 N HN 0.844 nan 8.380 nan 0.000 0.426 266 E N 1.031 121.226 120.200 -0.008 0.000 2.031 266 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 266 E C 1.847 178.453 176.600 0.010 0.000 0.994 266 E CA 1.026 57.432 56.400 0.011 0.000 0.800 266 E CB 0.118 29.819 29.700 0.002 0.000 0.752 266 E HN -0.013 nan 8.360 nan 0.000 0.447 267 V N 1.930 121.831 119.914 -0.021 0.000 2.287 267 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 267 V C 2.629 178.707 176.094 -0.027 0.000 1.053 267 V CA 2.204 64.486 62.300 -0.031 0.000 1.027 267 V CB -0.590 31.194 31.823 -0.064 0.000 0.646 267 V HN 0.459 nan 8.190 nan 0.000 0.447 268 M N 0.424 119.987 119.600 -0.062 0.000 2.108 268 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 268 M C 2.039 178.399 176.300 0.100 0.000 1.066 268 M CA 2.494 57.755 55.300 -0.065 0.000 1.107 268 M CB -0.654 31.849 32.600 -0.163 0.000 1.356 268 M HN 0.388 nan 8.290 nan 0.000 0.406 269 G N -0.230 108.664 108.800 0.157 0.000 2.418 269 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 269 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 269 G C 1.308 176.342 174.900 0.223 0.000 1.158 269 G CA 0.745 46.030 45.100 0.308 0.000 0.771 269 G HN 0.622 nan 8.290 nan 0.000 0.545 270 Q N -0.136 119.737 119.800 0.122 0.000 2.084 270 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 270 Q C 2.841 178.891 176.000 0.084 0.000 0.978 270 Q CA 0.996 56.848 55.803 0.081 0.000 0.844 270 Q CB -0.152 28.612 28.738 0.043 0.000 0.898 270 Q HN 0.407 nan 8.270 nan 0.000 0.426 271 R N -0.282 120.271 120.500 0.088 0.000 2.070 271 R HA -0.186 4.154 4.340 -0.000 0.000 0.233 271 R C 2.214 178.591 176.300 0.127 0.000 1.137 271 R CA 1.691 57.840 56.100 0.080 0.000 0.945 271 R CB -0.480 29.849 30.300 0.048 0.000 0.845 271 R HN 0.325 nan 8.270 nan 0.000 0.430 272 Y N 1.540 121.877 120.300 0.062 0.000 2.181 272 Y HA -0.260 4.289 4.550 -0.000 0.000 0.288 272 Y C 2.611 178.534 175.900 0.039 0.000 1.146 272 Y CA 1.668 59.816 58.100 0.079 0.000 1.164 272 Y CB -0.085 38.506 38.460 0.217 0.000 0.982 272 Y HN -0.084 nan 8.280 nan 0.000 0.515 273 R N 0.438 120.971 120.500 0.055 0.000 2.091 273 R HA -0.196 4.144 4.340 -0.000 0.000 0.238 273 R C 2.332 178.574 176.300 -0.096 0.000 1.136 273 R CA 1.397 57.453 56.100 -0.074 0.000 0.959 273 R CB -0.615 29.696 30.300 0.018 0.000 0.856 273 R HN 0.476 nan 8.270 nan 0.000 0.437 274 A N 0.746 123.549 122.820 -0.029 0.000 1.877 274 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 274 A C 2.372 179.949 177.584 -0.012 0.000 1.186 274 A CA 1.713 53.743 52.037 -0.012 0.000 0.620 274 A CB -0.797 18.213 19.000 0.016 0.000 0.822 274 A HN 0.548 nan 8.150 nan 0.000 0.443 275 A N -1.082 121.724 122.820 -0.024 0.000 1.933 275 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 275 A C 2.167 179.727 177.584 -0.039 0.000 1.175 275 A CA 1.936 53.985 52.037 0.019 0.000 0.628 275 A CB -0.459 18.523 19.000 -0.031 0.000 0.814 275 A HN 0.426 nan 8.150 nan 0.000 0.444 276 M N -0.459 118.995 119.600 -0.244 0.000 2.175 276 M HA -0.073 4.407 4.480 -0.000 0.000 0.264 276 M C 2.507 178.750 176.300 -0.095 0.000 1.063 276 M CA 1.471 56.616 55.300 -0.259 0.000 1.119 276 M CB -1.497 30.809 32.600 -0.490 0.000 1.377 276 M HN 0.487 nan 8.290 nan 0.000 0.415 277 A N 0.104 122.879 122.820 -0.076 0.000 1.933 277 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 277 A C 2.318 179.899 177.584 -0.004 0.000 1.175 277 A CA 2.079 54.092 52.037 -0.040 0.000 0.628 277 A CB -0.633 18.344 19.000 -0.038 0.000 0.814 277 A HN 0.499 nan 8.150 nan 0.000 0.444 278 K N -0.953 119.470 120.400 0.037 0.000 2.025 278 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 278 K C 2.099 178.757 176.600 0.097 0.000 1.049 278 K CA 1.666 57.986 56.287 0.055 0.000 0.933 278 K CB -0.237 32.324 32.500 0.101 0.000 0.714 278 K HN 0.487 nan 8.250 nan 0.000 0.438 279 M N 0.800 120.545 119.600 0.243 0.000 2.296 279 M HA -0.128 4.351 4.480 -0.000 0.000 0.265 279 M C 1.707 178.089 176.300 0.138 0.000 1.064 279 M CA 1.746 57.236 55.300 0.317 0.000 1.109 279 M CB -0.002 32.792 32.600 0.322 0.000 1.396 279 M HN 0.247 nan 8.290 nan 0.000 0.430 280 S N -0.344 115.394 115.700 0.063 0.000 2.447 280 S HA -0.058 4.412 4.470 -0.000 0.000 0.233 280 S C 1.251 175.850 174.600 -0.001 0.000 1.006 280 S CA 0.884 59.097 58.200 0.022 0.000 0.957 280 S CB -0.927 62.264 63.200 -0.015 0.000 0.773 280 S HN 0.546 nan 8.310 nan 0.000 0.507 281 V N -1.301 118.617 119.914 0.007 0.000 3.271 281 V HA 0.479 4.599 4.120 -0.000 0.000 0.327 281 V C 0.289 176.412 176.094 0.047 0.000 1.389 281 V CA -0.654 61.669 62.300 0.038 0.000 1.156 281 V CB -0.863 30.961 31.823 0.002 0.000 1.103 281 V HN 0.367 nan 8.190 nan 0.000 0.453 282 L N 2.913 124.101 121.223 -0.058 0.000 2.534 282 L HA 0.463 4.803 4.340 -0.000 0.000 0.271 282 L C 1.478 178.091 176.870 -0.429 0.000 1.178 282 L CA 1.341 55.927 54.840 -0.424 0.000 0.907 282 L CB 0.156 41.961 42.059 -0.424 0.000 1.164 282 L HN 0.622 nan 8.230 nan 0.000 0.482 283 G N 2.703 111.068 108.800 -0.725 0.000 2.141 283 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.242 283 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.242 283 G C -0.267 174.217 174.900 -0.694 0.000 0.982 283 G CA -0.400 44.387 45.100 -0.522 0.000 0.662 283 G HN 0.455 nan 8.290 nan 0.000 0.527 284 F N -0.481 119.400 119.950 -0.115 0.000 2.643 284 F HA 0.620 5.147 4.527 -0.000 0.000 0.314 284 F C -0.466 175.300 175.800 -0.056 0.000 1.096 284 F CA -1.121 56.846 58.000 -0.055 0.000 0.953 284 F CB 1.730 40.698 39.000 -0.053 0.000 1.345 284 F HN -0.065 nan 8.300 nan 0.000 0.468 285 D N 0.881 121.377 120.400 0.161 0.000 2.373 285 D HA 0.248 4.888 4.640 -0.000 0.000 0.227 285 D C 0.953 177.290 176.300 0.062 0.000 1.091 285 D CA -0.575 53.469 54.000 0.074 0.000 0.840 285 D CB 1.043 41.875 40.800 0.052 0.000 1.060 285 D HN 0.634 nan 8.370 nan 0.000 0.502 286 R N 3.630 124.146 120.500 0.026 0.000 2.096 286 R HA -0.142 4.197 4.340 -0.000 0.000 0.235 286 R C 1.104 177.392 176.300 -0.020 0.000 1.127 286 R CA 1.203 57.297 56.100 -0.009 0.000 0.968 286 R CB -0.656 29.628 30.300 -0.027 0.000 0.861 286 R HN 0.393 nan 8.270 nan 0.000 0.440 287 N N 1.000 119.695 118.700 -0.008 0.000 2.571 287 N HA -0.044 4.696 4.740 -0.000 0.000 0.189 287 N C 1.065 176.570 175.510 -0.007 0.000 1.154 287 N CA 0.889 53.932 53.050 -0.011 0.000 0.907 287 N CB 0.319 38.802 38.487 -0.006 0.000 0.977 287 N HN 0.400 nan 8.380 nan 0.000 0.449 288 A N 0.433 123.254 122.820 0.002 0.000 2.220 288 A HA 0.320 4.640 4.320 -0.000 0.000 0.211 288 A C 0.985 178.563 177.584 -0.010 0.000 1.176 288 A CA -0.293 51.750 52.037 0.009 0.000 0.834 288 A CB 0.193 19.216 19.000 0.038 0.000 0.868 288 A HN 0.171 nan 8.150 nan 0.000 0.488 289 L N -0.203 120.996 121.223 -0.040 0.000 2.387 289 L HA 0.422 4.762 4.340 -0.000 0.000 0.266 289 L C -0.127 176.681 176.870 -0.102 0.000 1.059 289 L CA -0.619 54.166 54.840 -0.092 0.000 0.801 289 L CB 1.699 43.668 42.059 -0.149 0.000 1.223 289 L HN -0.056 nan 8.230 nan 0.000 0.456 290 T N -0.314 114.161 114.554 -0.133 0.000 2.829 290 T HA 0.153 4.503 4.350 -0.000 0.000 0.282 290 T C -0.595 173.994 174.700 -0.185 0.000 0.990 290 T CA -0.417 61.612 62.100 -0.118 0.000 1.028 290 T CB 1.282 70.105 68.868 -0.076 0.000 0.951 290 T HN 0.396 nan 8.240 nan 0.000 0.460 291 D N 1.314 121.635 120.400 -0.131 0.000 2.317 291 D HA 0.190 4.830 4.640 -0.000 0.000 0.252 291 D C -0.283 175.954 176.300 -0.104 0.000 1.174 291 D CA -0.590 53.327 54.000 -0.138 0.000 0.866 291 D CB 0.433 41.188 40.800 -0.075 0.000 1.127 291 D HN 0.501 nan 8.370 nan 0.000 0.467 292 c N 2.985 121.500 118.600 -0.142 0.000 2.859 292 c HA 0.179 4.749 4.570 -0.000 0.000 0.256 292 c C 1.955 176.120 174.090 0.125 0.000 1.660 292 c CA -0.410 55.917 56.329 -0.003 0.000 1.755 292 c CB -1.075 41.426 42.510 -0.016 0.000 3.127 292 c HN 0.600 nan 8.230 nan 0.000 0.494 293 S N 1.923 117.663 115.700 0.067 0.000 2.442 293 S HA -0.169 4.301 4.470 -0.000 0.000 0.236 293 S C 1.807 176.450 174.600 0.072 0.000 1.007 293 S CA 1.739 59.989 58.200 0.083 0.000 0.965 293 S CB -0.242 62.977 63.200 0.032 0.000 0.773 293 S HN 0.857 nan 8.310 nan 0.000 0.504 294 D N 0.899 121.347 120.400 0.079 0.000 2.348 294 D HA -0.044 4.596 4.640 -0.000 0.000 0.216 294 D C 1.457 177.835 176.300 0.130 0.000 0.970 294 D CA 0.532 54.592 54.000 0.100 0.000 0.889 294 D CB -0.144 40.728 40.800 0.119 0.000 0.912 294 D HN 0.314 nan 8.370 nan 0.000 0.524 295 V N 1.124 121.082 119.914 0.074 0.000 2.871 295 V HA -0.054 4.066 4.120 -0.000 0.000 0.256 295 V C 1.223 177.335 176.094 0.031 0.000 1.082 295 V CA 0.418 62.705 62.300 -0.021 0.000 1.105 295 V CB -0.240 31.432 31.823 -0.251 0.000 0.713 295 V HN 0.187 nan 8.190 nan 0.000 0.473 296 I N 2.134 122.698 120.570 -0.010 0.000 2.452 296 I HA 0.265 4.435 4.170 -0.000 0.000 0.287 296 I C -2.143 173.949 176.117 -0.042 0.000 1.079 296 I CA -2.764 58.479 61.300 -0.095 0.000 1.387 296 I CB 0.023 37.937 38.000 -0.143 0.000 1.404 296 I HN 0.119 nan 8.210 nan 0.000 0.522 297 P HA 0.225 nan 4.420 nan 0.000 0.274 297 P C -0.281 176.989 177.300 -0.050 0.000 1.237 297 P CA -0.323 62.761 63.100 -0.026 0.000 0.793 297 P CB 0.656 32.339 31.700 -0.027 0.000 0.977 298 S N 0.200 115.882 115.700 -0.030 0.000 2.610 298 S HA 0.587 5.057 4.470 -0.000 0.000 0.273 298 S C 0.069 174.641 174.600 -0.047 0.000 1.274 298 S CA -0.435 57.743 58.200 -0.036 0.000 1.023 298 S CB 0.579 63.768 63.200 -0.017 0.000 0.962 298 S HN 0.556 nan 8.310 nan 0.000 0.523 299 A N 1.765 124.553 122.820 -0.054 0.000 2.286 299 A HA 0.633 4.953 4.320 -0.000 0.000 0.286 299 A C 0.364 177.929 177.584 -0.031 0.000 1.097 299 A CA -0.733 51.270 52.037 -0.056 0.000 0.821 299 A CB 0.126 19.084 19.000 -0.070 0.000 1.076 299 A HN 0.910 nan 8.150 nan 0.000 0.490 300 V N 0.452 120.349 119.914 -0.028 0.000 3.051 300 V HA 0.533 4.653 4.120 -0.000 0.000 0.306 300 V C 0.533 176.624 176.094 -0.006 0.000 1.083 300 V CA -0.127 62.164 62.300 -0.015 0.000 1.104 300 V CB 0.595 32.409 31.823 -0.015 0.000 1.027 300 V HN 1.146 nan 8.190 nan 0.000 0.483 301 S N 2.420 118.119 115.700 -0.001 0.000 2.584 301 S HA 0.272 4.742 4.470 -0.000 0.000 0.273 301 S C -0.068 174.536 174.600 0.008 0.000 1.311 301 S CA -0.623 57.581 58.200 0.007 0.000 1.034 301 S CB 0.507 63.710 63.200 0.006 0.000 0.939 301 S HN 1.060 nan 8.310 nan 0.000 0.513 302 N N 1.532 120.241 118.700 0.015 0.000 2.469 302 N HA 0.180 4.920 4.740 -0.000 0.000 0.253 302 N C -0.452 175.062 175.510 0.008 0.000 0.970 302 N CA -0.583 52.475 53.050 0.013 0.000 0.940 302 N CB 0.494 38.994 38.487 0.022 0.000 1.128 302 N HN 0.595 nan 8.380 nan 0.000 0.503 303 N N 1.969 120.672 118.700 0.004 0.000 2.236 303 N HA 0.045 4.784 4.740 -0.000 0.000 0.196 303 N C 0.027 175.537 175.510 -0.000 0.000 1.114 303 N CA -0.114 52.937 53.050 0.002 0.000 0.859 303 N CB 0.752 39.239 38.487 0.001 0.000 0.982 303 N HN 0.514 nan 8.380 nan 0.000 0.493 304 A N 0.985 123.805 122.820 -0.000 0.000 2.477 304 A HA 0.553 4.873 4.320 -0.000 0.000 0.246 304 A C 0.508 178.091 177.584 -0.002 0.000 1.078 304 A CA -0.325 51.711 52.037 -0.001 0.000 0.770 304 A CB 0.247 19.246 19.000 -0.001 0.000 1.011 304 A HN 0.232 nan 8.150 nan 0.000 0.494 305 A N 3.752 126.572 122.820 -0.001 0.000 2.340 305 A HA 0.645 4.965 4.320 -0.000 0.000 0.268 305 A C -2.362 175.224 177.584 0.004 0.000 1.100 305 A CA -1.519 50.518 52.037 -0.001 0.000 0.803 305 A CB -0.370 18.630 19.000 0.001 0.000 1.043 305 A HN 0.652 nan 8.150 nan 0.000 0.488 306 P HA 0.280 nan 4.420 nan 0.000 0.264 306 P C -0.664 176.655 177.300 0.033 0.000 1.193 306 P CA 0.235 63.344 63.100 0.015 0.000 0.763 306 P CB 0.618 32.320 31.700 0.004 0.000 0.810 307 V N 1.192 121.134 119.914 0.046 0.000 3.007 307 V HA 0.542 4.662 4.120 -0.000 0.000 0.311 307 V C -0.566 175.571 176.094 0.072 0.000 1.120 307 V CA -1.044 61.286 62.300 0.051 0.000 0.980 307 V CB 2.160 33.999 31.823 0.027 0.000 1.033 307 V HN 0.248 nan 8.190 nan 0.000 0.429 308 I N 5.498 126.111 120.570 0.072 0.000 2.312 308 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 308 I C -1.983 174.161 176.117 0.045 0.000 1.031 308 I CA -1.593 59.752 61.300 0.074 0.000 1.293 308 I CB 1.933 39.968 38.000 0.057 0.000 1.403 308 I HN 0.603 nan 8.210 nan 0.000 0.484 309 P HA 0.182 nan 4.420 nan 0.000 0.284 309 P C 0.479 177.749 177.300 -0.050 0.000 1.292 309 P CA -0.167 62.917 63.100 -0.025 0.000 0.800 309 P CB 0.885 32.534 31.700 -0.085 0.000 1.188 310 G N -0.791 107.944 108.800 -0.108 0.000 2.361 310 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.294 310 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.294 310 G C 0.930 175.804 174.900 -0.042 0.000 1.004 310 G CA 0.968 46.006 45.100 -0.103 0.000 0.870 310 G HN 1.065 nan 8.290 nan 0.000 0.510 311 G N -2.062 106.723 108.800 -0.025 0.000 2.199 311 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.254 311 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.254 311 G C 0.614 175.513 174.900 -0.002 0.000 0.982 311 G CA 0.566 45.658 45.100 -0.012 0.000 0.632 311 G HN 1.299 nan 8.290 nan 0.000 0.529 312 L N 1.304 122.532 121.223 0.009 0.000 2.473 312 L HA 0.586 4.926 4.340 -0.000 0.000 0.268 312 L C 1.356 178.226 176.870 -0.000 0.000 1.215 312 L CA 0.561 55.408 54.840 0.012 0.000 0.823 312 L CB 0.788 42.870 42.059 0.038 0.000 1.099 312 L HN 0.502 nan 8.230 nan 0.000 0.483 313 T N -2.651 111.893 114.554 -0.018 0.000 2.742 313 T HA 0.207 4.556 4.350 -0.000 0.000 0.282 313 T C 0.583 175.244 174.700 -0.065 0.000 1.025 313 T CA -0.481 61.605 62.100 -0.025 0.000 1.020 313 T CB 1.241 70.097 68.868 -0.020 0.000 1.317 313 T HN 0.226 nan 8.240 nan 0.000 0.538 314 V N 0.827 120.698 119.914 -0.073 0.000 2.867 314 V HA -0.073 4.046 4.120 -0.000 0.000 0.260 314 V C 1.636 177.632 176.094 -0.162 0.000 1.099 314 V CA 2.136 64.339 62.300 -0.162 0.000 1.122 314 V CB -1.100 30.667 31.823 -0.093 0.000 0.708 314 V HN 0.829 nan 8.190 nan 0.000 0.490 315 D N 0.004 120.347 120.400 -0.094 0.000 2.310 315 D HA -0.095 4.545 4.640 -0.000 0.000 0.212 315 D C 1.509 177.756 176.300 -0.090 0.000 0.965 315 D CA 1.161 55.113 54.000 -0.079 0.000 0.879 315 D CB -0.098 40.673 40.800 -0.048 0.000 0.921 315 D HN 0.586 nan 8.370 nan 0.000 0.510 316 D N 0.007 120.348 120.400 -0.098 0.000 2.339 316 D HA 0.017 4.657 4.640 -0.000 0.000 0.217 316 D C 0.684 176.905 176.300 -0.130 0.000 1.050 316 D CA -0.007 53.939 54.000 -0.090 0.000 0.856 316 D CB 1.273 42.039 40.800 -0.055 0.000 0.922 316 D HN 0.158 nan 8.370 nan 0.000 0.518 317 I N 1.789 122.235 120.570 -0.206 0.000 2.365 317 I HA 0.067 4.237 4.170 -0.000 0.000 0.291 317 I C 0.678 176.669 176.117 -0.211 0.000 1.004 317 I CA -0.132 60.998 61.300 -0.284 0.000 1.311 317 I CB 1.008 38.633 38.000 -0.626 0.000 1.401 317 I HN -0.256 nan 8.210 nan 0.000 0.491 318 E N 5.558 125.665 120.200 -0.155 0.000 1.932 318 E HA 0.183 4.533 4.350 -0.000 0.000 0.259 318 E C -0.509 176.042 176.600 -0.081 0.000 1.099 318 E CA -0.412 55.923 56.400 -0.109 0.000 0.970 318 E CB 0.750 30.390 29.700 -0.100 0.000 1.143 318 E HN 0.299 nan 8.360 nan 0.000 0.441 319 V N 2.616 122.487 119.914 -0.070 0.000 2.475 319 V HA -0.114 4.006 4.120 -0.000 0.000 0.292 319 V C 0.994 177.096 176.094 0.013 0.000 1.003 319 V CA 0.840 63.145 62.300 0.009 0.000 1.120 319 V CB 0.743 32.584 31.823 0.030 0.000 0.937 319 V HN 0.610 nan 8.190 nan 0.000 0.476 320 S N 2.213 117.933 115.700 0.034 0.000 2.540 320 S HA 0.069 4.539 4.470 -0.000 0.000 0.222 320 S C 0.498 175.114 174.600 0.027 0.000 1.008 320 S CA -0.168 58.035 58.200 0.006 0.000 0.939 320 S CB 0.511 63.689 63.200 -0.036 0.000 0.865 320 S HN 0.816 nan 8.310 nan 0.000 0.499 321 c N 5.629 124.266 118.600 0.061 0.000 2.281 321 c HA 0.399 4.969 4.570 -0.000 0.000 0.336 321 c C -0.719 173.398 174.090 0.044 0.000 1.217 321 c CA -2.259 54.103 56.329 0.055 0.000 1.730 321 c CB 0.227 42.779 42.510 0.071 0.000 2.338 321 c HN 0.316 nan 8.230 nan 0.000 0.521 322 P HA -0.176 nan 4.420 nan 0.000 0.209 322 P C 1.155 178.468 177.300 0.022 0.000 1.167 322 P CA 2.665 65.777 63.100 0.021 0.000 0.941 322 P CB -0.175 31.534 31.700 0.015 0.000 0.787 323 S N -1.804 113.908 115.700 0.020 0.000 2.593 323 S HA 0.123 4.593 4.470 -0.000 0.000 0.217 323 S C 0.490 175.101 174.600 0.018 0.000 0.966 323 S CA -0.159 58.051 58.200 0.017 0.000 0.914 323 S CB -0.414 62.793 63.200 0.012 0.000 0.776 323 S HN 0.267 nan 8.310 nan 0.000 0.523 324 E N 2.894 123.109 120.200 0.025 0.000 2.176 324 E HA 0.381 4.731 4.350 -0.000 0.000 0.267 324 E C -2.761 173.863 176.600 0.041 0.000 0.893 324 E CA -2.552 53.861 56.400 0.022 0.000 0.761 324 E CB 1.697 31.402 29.700 0.009 0.000 1.133 324 E HN 0.195 nan 8.360 nan 0.000 0.409 325 P HA -0.006 nan 4.420 nan 0.000 0.271 325 P C -0.578 176.775 177.300 0.088 0.000 1.216 325 P CA -0.285 62.857 63.100 0.070 0.000 0.776 325 P CB 0.512 32.241 31.700 0.047 0.000 0.881 326 F N 5.573 125.526 119.950 0.005 0.000 2.578 326 F HA 0.115 4.641 4.527 -0.000 0.000 0.376 326 F C -1.266 174.536 175.800 0.003 0.000 1.085 326 F CA -1.279 56.725 58.000 0.007 0.000 1.260 326 F CB -0.115 38.891 39.000 0.010 0.000 1.095 326 F HN 0.294 nan 8.300 nan 0.000 0.573 327 P HA -0.023 nan 4.420 nan 0.000 0.270 327 P C -1.261 176.003 177.300 -0.060 0.000 1.227 327 P CA -0.163 62.799 63.100 -0.229 0.000 0.788 327 P CB 0.477 31.982 31.700 -0.325 0.000 0.926 328 E N 0.669 120.861 120.200 -0.014 0.000 2.070 328 E HA 0.234 4.584 4.350 -0.000 0.000 0.282 328 E C -0.061 176.560 176.600 0.035 0.000 1.104 328 E CA -0.271 56.154 56.400 0.042 0.000 0.876 328 E CB 0.158 29.874 29.700 0.026 0.000 1.055 328 E HN 0.257 nan 8.360 nan 0.000 0.401 329 I N 1.968 122.593 120.570 0.092 0.000 2.822 329 I HA 0.404 4.574 4.170 -0.000 0.000 0.312 329 I C 0.612 176.771 176.117 0.069 0.000 1.011 329 I CA -1.111 60.239 61.300 0.083 0.000 1.105 329 I CB 1.309 39.407 38.000 0.164 0.000 1.291 329 I HN 0.417 nan 8.210 nan 0.000 0.474 330 A N 2.955 125.804 122.820 0.049 0.000 2.351 330 A HA 0.583 4.903 4.320 -0.000 0.000 0.257 330 A C -0.003 177.606 177.584 0.041 0.000 1.087 330 A CA -0.055 52.004 52.037 0.035 0.000 0.798 330 A CB 0.023 19.036 19.000 0.022 0.000 1.033 330 A HN 0.728 nan 8.150 nan 0.000 0.488 331 T N 1.535 116.106 114.554 0.029 0.000 2.792 331 T HA 0.601 4.951 4.350 -0.000 0.000 0.280 331 T C 0.161 174.867 174.700 0.010 0.000 0.990 331 T CA 0.197 62.311 62.100 0.024 0.000 0.960 331 T CB 1.406 70.286 68.868 0.020 0.000 0.939 331 T HN 1.052 nan 8.240 nan 0.000 0.439 332 A N 2.860 125.682 122.820 0.004 0.000 2.286 332 A HA 0.745 5.065 4.320 -0.000 0.000 0.286 332 A C 0.723 178.298 177.584 -0.015 0.000 1.097 332 A CA -0.744 51.287 52.037 -0.009 0.000 0.821 332 A CB 0.321 19.309 19.000 -0.020 0.000 1.076 332 A HN 0.889 nan 8.150 nan 0.000 0.490 333 S N 0.810 116.499 115.700 -0.019 0.000 2.603 333 S HA 0.570 5.040 4.470 -0.000 0.000 0.268 333 S C 0.702 175.283 174.600 -0.031 0.000 1.317 333 S CA -0.141 58.047 58.200 -0.020 0.000 1.012 333 S CB 0.862 64.051 63.200 -0.018 0.000 0.926 333 S HN 1.380 nan 8.310 nan 0.000 0.539 334 G N 1.148 109.931 108.800 -0.028 0.000 2.570 334 G HA2 0.514 4.474 3.960 -0.000 0.000 0.276 334 G HA3 0.514 4.474 3.960 -0.000 0.000 0.276 334 G C -2.029 172.848 174.900 -0.040 0.000 1.346 334 G CA -1.157 43.921 45.100 -0.037 0.000 1.034 334 G HN 0.731 nan 8.290 nan 0.000 0.512 335 P HA 0.334 nan 4.420 nan 0.000 0.297 335 P C -0.518 176.740 177.300 -0.070 0.000 1.307 335 P CA -0.865 62.210 63.100 -0.042 0.000 0.773 335 P CB 0.759 32.441 31.700 -0.030 0.000 1.265 336 L N 1.289 122.477 121.223 -0.059 0.000 2.559 336 L HA 0.111 4.451 4.340 -0.000 0.000 0.282 336 L C -1.935 174.838 176.870 -0.162 0.000 1.232 336 L CA -0.517 54.267 54.840 -0.093 0.000 0.885 336 L CB -1.303 40.756 42.059 0.000 0.000 1.131 336 L HN 0.331 nan 8.230 nan 0.000 0.498 337 P HA 0.236 nan 4.420 nan 0.000 0.276 337 P C -1.374 175.815 177.300 -0.186 0.000 1.252 337 P CA -0.531 62.360 63.100 -0.349 0.000 0.802 337 P CB 0.951 32.269 31.700 -0.637 0.000 1.035 338 S N 1.077 116.729 115.700 -0.081 0.000 2.774 338 S HA 0.416 4.886 4.470 -0.000 0.000 0.297 338 S C -0.677 173.943 174.600 0.033 0.000 1.143 338 S CA -0.695 57.518 58.200 0.021 0.000 1.090 338 S CB -0.450 62.760 63.200 0.018 0.000 1.019 338 S HN 0.218 nan 8.310 nan 0.000 0.482 339 L N 4.073 125.354 121.223 0.097 0.000 2.367 339 L HA 0.513 4.853 4.340 -0.000 0.000 0.275 339 L C 0.882 177.795 176.870 0.072 0.000 1.129 339 L CA -0.572 54.323 54.840 0.091 0.000 0.839 339 L CB 0.654 42.808 42.059 0.159 0.000 1.133 339 L HN 0.670 nan 8.230 nan 0.000 0.453 340 A N 6.072 128.921 122.820 0.049 0.000 2.304 340 A HA 0.641 4.961 4.320 -0.000 0.000 0.271 340 A C -2.144 175.466 177.584 0.044 0.000 1.091 340 A CA -1.360 50.703 52.037 0.043 0.000 0.812 340 A CB -0.097 18.921 19.000 0.030 0.000 1.056 340 A HN 0.536 nan 8.150 nan 0.000 0.489 341 P HA 0.251 nan 4.420 nan 0.000 0.269 341 P C -0.169 177.139 177.300 0.015 0.000 1.215 341 P CA 0.160 63.280 63.100 0.034 0.000 0.780 341 P CB 0.524 32.263 31.700 0.066 0.000 0.898 342 A N 4.543 127.353 122.820 -0.017 0.000 2.462 342 A HA 0.398 4.718 4.320 -0.000 0.000 0.243 342 A C -1.574 176.001 177.584 -0.015 0.000 1.076 342 A CA -0.930 51.090 52.037 -0.027 0.000 0.773 342 A CB -1.158 17.806 19.000 -0.060 0.000 1.010 342 A HN 0.477 nan 8.150 nan 0.000 0.493 343 P HA 0.000 nan 4.420 nan 0.000 0.216 343 P CA 0.000 63.100 63.100 -0.000 0.000 0.800 343 P CB 0.000 31.697 31.700 -0.005 0.000 0.726