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 3csl_1_B DATA FIRST_RESID 113 DATA SEQUENCE NDWVYDEPRS VSVISREQMD NRPARHAADI LEQTTGAYSS VSQQDPALSV DATA SEQUENCE NIRGIQDYGR VNMNIDGMRQ NFQKSGHGQR NGTMYIDSEL LSGVTIDKGT DATA SEQUENCE TGGMGSAGTL GGIATFNTVS ASDFLAPGKE LGGKLHASTG DNGTHFIGSG DATA SEQUENCE ILALGNETGD ILLAASERHL GDYWPGNKGD IGNIRINNDT GNYDRYAESI DATA SEQUENCE KNNKIPDTHY RMHSRLAKVG WNLPANQRLQ LSYLQTQTAS PIAGTLTNLG DATA SEQUENCE TRPPYELGWK RTGYTDVMAR NAAFDYSLAP EDVDWLDFQA KLYYVDTQDD DATA SEQUENCE SDTYSTSSLL DNGYATRTRL RTYGAQAQNT SRFSLAPGHD FRANYGLEFY DATA SEQUENCE YDKATSDSSR QGMEGVTPAG NRSVASLFAN LTYDYDGWLT LEGGLRYDRY DATA SEQUENCE RLRGQTGLSY PDLAKDGQRY TIDNPcKALR LTGcSTTTRE DWDVDRDQGK DATA SEQUENCE LSPTLAVAVR PGVEWLELYT TYGKSWRPPA ITETLTNGSA HSSSTQYPNP DATA SEQUENCE FLQPERSRAW EVGFNVQQPD LWFEGDRLVA KVAYFDTKVD NYINLAIDRN DATA SEQUENCE KPGLVQPSIG NAAYVNNLSK TRFRGLEYQL NYDAGVFYAD LTYTHMIGKN DATA SEQUENCE EFcSNKAWLG GRLRYGDGSR RGNFYVEPDA ASNDFVTcDG GTQFGSAAYL DATA SEQUENCE PGDRGSVTLG GRAFDRKLDA GVTVRFAPGY QDSSVPSNYP YLADWPKYTL DATA SEQUENCE FDLYASYKLT DSLTLRGSVE NLTNRAYVVS YGETLANTLG RGRTVQGGVE DATA SEQUENCE YRF 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 113 N HA 0.000 nan 4.740 nan 0.000 0.220 113 N C 0.000 175.503 175.510 -0.012 0.000 1.280 113 N CA 0.000 53.069 53.050 0.032 0.000 0.885 113 N CB 0.000 38.495 38.487 0.013 0.000 1.341 114 D N 1.014 121.410 120.400 -0.006 0.000 3.100 114 D HA 0.174 4.814 4.640 0.000 0.000 0.350 114 D C 1.088 177.329 176.300 -0.098 0.000 1.310 114 D CA -0.585 53.349 54.000 -0.110 0.000 0.741 114 D CB -1.371 39.468 40.800 0.065 0.000 1.248 114 D HN 0.637 nan 8.370 nan 0.000 0.527 115 W N -0.066 121.225 121.300 -0.014 0.000 2.387 115 W HA -0.143 4.517 4.660 0.000 0.000 0.272 115 W C 0.577 177.057 176.519 -0.066 0.000 1.224 115 W CA 0.029 57.353 57.345 -0.035 0.000 1.210 115 W CB -1.110 28.311 29.460 -0.065 0.000 1.125 115 W HN -0.022 nan 8.180 nan 0.000 0.572 116 V N 1.800 121.204 119.914 -0.850 0.000 2.278 116 V HA -0.364 3.756 4.120 0.000 0.000 0.251 116 V C 2.004 177.812 176.094 -0.475 0.000 1.062 116 V CA 2.276 64.035 62.300 -0.902 0.000 1.038 116 V CB -1.255 29.861 31.823 -1.178 0.000 0.646 116 V HN 0.122 nan 8.190 nan 0.000 0.447 117 Y N -0.652 119.518 120.300 -0.218 0.000 2.632 117 Y HA -0.006 4.544 4.550 0.000 0.000 0.301 117 Y C 1.716 177.579 175.900 -0.062 0.000 1.172 117 Y CA 1.007 59.033 58.100 -0.123 0.000 1.328 117 Y CB -0.217 38.179 38.460 -0.106 0.000 1.016 117 Y HN 0.296 nan 8.280 nan 0.000 0.529 118 D N -0.165 120.275 120.400 0.067 0.000 2.462 118 D HA 0.057 4.697 4.640 0.000 0.000 0.221 118 D C -0.543 175.772 176.300 0.026 0.000 1.173 118 D CA 0.120 54.160 54.000 0.067 0.000 0.831 118 D CB 0.228 41.084 40.800 0.094 0.000 1.001 118 D HN 0.107 nan 8.370 nan 0.000 0.499 119 E N 0.033 120.212 120.200 -0.035 0.000 2.187 119 E HA 0.401 4.751 4.350 0.000 0.000 0.268 119 E C -2.431 173.999 176.600 -0.283 0.000 0.896 119 E CA -2.534 53.815 56.400 -0.086 0.000 0.766 119 E CB 1.977 31.676 29.700 -0.002 0.000 1.142 119 E HN -0.147 nan 8.360 nan 0.000 0.408 120 P HA 0.119 nan 4.420 nan 0.000 0.232 120 P C -1.366 175.423 177.300 -0.851 0.000 1.738 120 P CA 0.129 62.799 63.100 -0.717 0.000 0.948 120 P CB -0.431 31.119 31.700 -0.249 0.000 1.943 121 R N -2.975 117.048 120.500 -0.795 0.000 2.753 121 R HA 0.369 4.709 4.340 0.000 0.000 0.272 121 R C -1.215 174.963 176.300 -0.204 0.000 1.034 121 R CA -0.751 55.146 56.100 -0.339 0.000 0.869 121 R CB -0.251 29.953 30.300 -0.159 0.000 1.264 121 R HN -0.339 nan 8.270 nan 0.000 0.481 122 S N 1.257 116.921 115.700 -0.060 0.000 3.455 122 S HA 0.163 4.633 4.470 0.000 0.000 0.288 122 S C -0.227 174.271 174.600 -0.169 0.000 1.231 122 S CA -0.390 57.753 58.200 -0.096 0.000 1.031 122 S CB -0.100 63.056 63.200 -0.072 0.000 1.570 122 S HN 0.335 nan 8.310 nan 0.000 0.519 123 V N 2.825 122.606 119.914 -0.222 0.000 2.881 123 V HA 0.884 5.004 4.120 0.000 0.000 0.316 123 V C -0.134 175.739 176.094 -0.367 0.000 1.070 123 V CA -0.202 61.949 62.300 -0.247 0.000 0.976 123 V CB 2.392 34.108 31.823 -0.179 0.000 1.038 123 V HN 0.586 nan 8.190 nan 0.000 0.446 124 S N 2.746 118.232 115.700 -0.357 0.000 2.625 124 S HA 0.770 5.240 4.470 0.000 0.000 0.271 124 S C -1.714 172.666 174.600 -0.366 0.000 1.161 124 S CA -0.053 57.907 58.200 -0.401 0.000 0.820 124 S CB 1.849 64.861 63.200 -0.312 0.000 1.137 124 S HN 1.602 nan 8.310 nan 0.000 0.470 125 V N 3.255 122.956 119.914 -0.355 0.000 2.655 125 V HA 0.641 4.761 4.120 0.000 0.000 0.301 125 V C -1.195 174.760 176.094 -0.232 0.000 1.082 125 V CA -0.721 61.409 62.300 -0.283 0.000 0.899 125 V CB 1.423 33.070 31.823 -0.293 0.000 1.014 125 V HN 0.911 nan 8.190 nan 0.000 0.429 126 I N 7.682 128.122 120.570 -0.217 0.000 2.347 126 I HA 0.511 4.681 4.170 0.000 0.000 0.294 126 I C 0.713 176.734 176.117 -0.160 0.000 1.090 126 I CA 0.769 61.959 61.300 -0.184 0.000 1.314 126 I CB 1.038 38.925 38.000 -0.189 0.000 1.423 126 I HN 0.854 nan 8.210 nan 0.000 0.503 127 S N 5.940 121.555 115.700 -0.142 0.000 2.600 127 S HA 0.279 4.749 4.470 0.000 0.000 0.265 127 S C 1.215 175.743 174.600 -0.120 0.000 1.325 127 S CA -0.464 57.660 58.200 -0.127 0.000 1.002 127 S CB 1.224 64.350 63.200 -0.124 0.000 0.921 127 S HN 0.759 nan 8.310 nan 0.000 0.554 128 R N 1.039 121.471 120.500 -0.112 0.000 2.096 128 R HA -0.052 4.288 4.340 0.000 0.000 0.235 128 R C 1.811 178.043 176.300 -0.114 0.000 1.127 128 R CA 1.978 58.013 56.100 -0.108 0.000 0.968 128 R CB -1.237 28.999 30.300 -0.107 0.000 0.861 128 R HN 0.860 nan 8.270 nan 0.000 0.440 129 E N 0.282 120.412 120.200 -0.118 0.000 2.118 129 E HA -0.192 4.158 4.350 0.000 0.000 0.195 129 E C 2.018 178.534 176.600 -0.141 0.000 0.992 129 E CA 1.620 57.947 56.400 -0.121 0.000 0.804 129 E CB -0.139 29.486 29.700 -0.125 0.000 0.741 129 E HN 0.490 nan 8.360 nan 0.000 0.458 130 Q N -0.486 119.228 119.800 -0.143 0.000 2.119 130 Q HA -0.041 4.299 4.340 0.000 0.000 0.201 130 Q C 2.010 177.924 176.000 -0.144 0.000 0.972 130 Q CA 1.185 56.893 55.803 -0.158 0.000 0.847 130 Q CB -0.104 28.553 28.738 -0.136 0.000 0.903 130 Q HN 0.389 nan 8.270 nan 0.000 0.433 131 M N 0.181 119.709 119.600 -0.120 0.000 2.492 131 M HA -0.085 4.395 4.480 0.000 0.000 0.262 131 M C 0.535 176.773 176.300 -0.102 0.000 1.090 131 M CA 0.733 55.972 55.300 -0.100 0.000 1.110 131 M CB 0.162 32.709 32.600 -0.089 0.000 1.407 131 M HN 0.028 nan 8.290 nan 0.000 0.470 132 D N 0.152 120.483 120.400 -0.114 0.000 2.262 132 D HA -0.019 4.621 4.640 0.000 0.000 0.212 132 D C 1.533 177.791 176.300 -0.069 0.000 0.964 132 D CA 0.830 54.769 54.000 -0.101 0.000 0.875 132 D CB -0.235 40.504 40.800 -0.101 0.000 0.996 132 D HN 0.201 nan 8.370 nan 0.000 0.497 133 N N 0.403 119.026 118.700 -0.127 0.000 2.409 133 N HA -0.028 4.712 4.740 0.000 0.000 0.179 133 N C 0.399 175.817 175.510 -0.152 0.000 1.032 133 N CA 0.391 53.330 53.050 -0.184 0.000 0.898 133 N CB 0.352 38.512 38.487 -0.545 0.000 0.971 133 N HN 0.070 nan 8.380 nan 0.000 0.441 134 R N 0.687 121.110 120.500 -0.127 0.000 2.644 134 R HA 0.274 4.615 4.340 0.000 0.000 0.271 134 R C -2.733 173.543 176.300 -0.040 0.000 1.687 134 R CA -1.493 54.568 56.100 -0.065 0.000 1.655 134 R CB 0.802 31.050 30.300 -0.086 0.000 1.285 134 R HN -0.107 nan 8.270 nan 0.000 0.643 135 P HA -0.039 nan 4.420 nan 0.000 0.264 135 P C -0.985 176.309 177.300 -0.011 0.000 1.179 135 P CA 0.279 63.372 63.100 -0.012 0.000 0.763 135 P CB 0.947 32.656 31.700 0.015 0.000 0.806 136 A N 2.990 125.803 122.820 -0.012 0.000 2.325 136 A HA 0.512 4.833 4.320 0.000 0.000 0.333 136 A C 1.108 178.699 177.584 0.011 0.000 1.155 136 A CA -0.610 51.429 52.037 0.003 0.000 0.814 136 A CB 0.993 20.001 19.000 0.013 0.000 1.206 136 A HN 0.682 nan 8.150 nan 0.000 0.482 137 R N 0.529 121.047 120.500 0.030 0.000 2.225 137 R HA 0.166 4.506 4.340 0.000 0.000 0.194 137 R C 0.248 176.657 176.300 0.180 0.000 0.957 137 R CA 0.318 56.452 56.100 0.057 0.000 1.042 137 R CB 0.092 30.399 30.300 0.013 0.000 1.004 137 R HN 0.684 nan 8.270 nan 0.000 0.509 138 H N -0.229 118.870 119.070 0.049 0.000 2.524 138 H HA 0.427 4.983 4.556 0.000 0.000 0.353 138 H C 0.225 175.546 175.328 -0.011 0.000 1.136 138 H CA 0.036 56.099 56.048 0.025 0.000 1.193 138 H CB 2.408 32.150 29.762 -0.032 0.000 1.558 138 H HN 0.129 nan 8.280 nan 0.000 0.515 139 A N 3.839 126.649 122.820 -0.016 0.000 1.986 139 A HA -0.164 4.157 4.320 0.000 0.000 0.220 139 A C 2.033 179.723 177.584 0.177 0.000 1.171 139 A CA 1.791 53.860 52.037 0.054 0.000 0.640 139 A CB -0.738 18.209 19.000 -0.090 0.000 0.811 139 A HN 0.701 nan 8.150 nan 0.000 0.451 140 A N -0.647 122.393 122.820 0.367 0.000 2.255 140 A HA 0.068 4.388 4.320 0.000 0.000 0.206 140 A C 1.146 178.747 177.584 0.028 0.000 1.193 140 A CA 1.169 53.275 52.037 0.115 0.000 0.794 140 A CB -0.363 18.611 19.000 -0.044 0.000 0.794 140 A HN 0.443 nan 8.150 nan 0.000 0.481 141 D N -0.039 120.395 120.400 0.056 0.000 2.305 141 D HA -0.027 4.613 4.640 0.000 0.000 0.206 141 D C 1.748 178.038 176.300 -0.018 0.000 0.974 141 D CA 0.875 54.881 54.000 0.009 0.000 0.871 141 D CB -0.201 40.612 40.800 0.022 0.000 0.947 141 D HN 0.754 nan 8.370 nan 0.000 0.516 142 I N -2.000 118.564 120.570 -0.010 0.000 3.444 142 I HA -0.003 4.167 4.170 0.000 0.000 0.287 142 I C 0.895 176.962 176.117 -0.084 0.000 1.302 142 I CA 0.386 61.659 61.300 -0.045 0.000 1.368 142 I CB 0.049 38.031 38.000 -0.031 0.000 1.048 142 I HN -0.191 nan 8.210 nan 0.000 0.487 143 L N 1.048 122.221 121.223 -0.083 0.000 2.567 143 L HA 0.168 4.508 4.340 0.000 0.000 0.225 143 L C 2.084 178.845 176.870 -0.181 0.000 1.119 143 L CA 0.999 55.757 54.840 -0.136 0.000 0.871 143 L CB -0.670 41.319 42.059 -0.117 0.000 1.036 143 L HN 0.260 nan 8.230 nan 0.000 0.459 144 E N -0.602 119.514 120.200 -0.141 0.000 2.511 144 E HA -0.060 4.290 4.350 0.000 0.000 0.196 144 E C 0.785 177.289 176.600 -0.161 0.000 1.066 144 E CA 0.211 56.519 56.400 -0.152 0.000 0.871 144 E CB 0.148 29.799 29.700 -0.082 0.000 0.863 144 E HN 0.564 nan 8.360 nan 0.000 0.520 145 Q N 0.385 120.093 119.800 -0.154 0.000 2.135 145 Q HA 0.060 4.400 4.340 0.000 0.000 0.222 145 Q C -0.234 175.676 176.000 -0.149 0.000 0.808 145 Q CA 0.052 55.776 55.803 -0.132 0.000 1.049 145 Q CB 1.405 30.084 28.738 -0.097 0.000 1.168 145 Q HN 0.079 nan 8.270 nan 0.000 0.483 146 T N -1.567 112.867 114.554 -0.200 0.000 2.848 146 T HA 0.376 4.726 4.350 0.000 0.000 0.285 146 T C 0.258 174.803 174.700 -0.259 0.000 0.995 146 T CA -0.733 61.241 62.100 -0.211 0.000 0.970 146 T CB 1.793 70.527 68.868 -0.223 0.000 0.976 146 T HN 0.102 nan 8.240 nan 0.000 0.441 147 T N -0.145 114.283 114.554 -0.210 0.000 2.926 147 T HA 0.467 4.817 4.350 0.000 0.000 0.307 147 T C 1.633 176.187 174.700 -0.243 0.000 1.059 147 T CA 0.272 62.248 62.100 -0.206 0.000 1.122 147 T CB 0.198 69.006 68.868 -0.100 0.000 0.972 147 T HN 2.125 nan 8.240 nan 0.000 0.545 148 G N 1.190 109.852 108.800 -0.230 0.000 2.189 148 G HA2 -0.029 3.931 3.960 0.000 0.000 0.267 148 G HA3 -0.029 3.931 3.960 0.000 0.000 0.267 148 G C 0.241 175.015 174.900 -0.210 0.000 0.975 148 G CA 0.080 45.082 45.100 -0.163 0.000 0.644 148 G HN 1.611 nan 8.290 nan 0.000 0.537 149 A N -0.462 122.105 122.820 -0.422 0.000 2.276 149 A HA 0.882 5.202 4.320 0.000 0.000 0.316 149 A C -0.430 176.789 177.584 -0.607 0.000 1.229 149 A CA -0.358 51.459 52.037 -0.368 0.000 0.851 149 A CB 0.943 19.760 19.000 -0.304 0.000 1.165 149 A HN 0.676 nan 8.150 nan 0.000 0.513 150 Y N 0.222 120.423 120.300 -0.166 0.000 2.889 150 Y HA 0.765 5.315 4.550 0.000 0.000 0.317 150 Y C 0.374 176.258 175.900 -0.026 0.000 1.414 150 Y CA -0.485 57.542 58.100 -0.121 0.000 1.091 150 Y CB 1.943 40.262 38.460 -0.234 0.000 1.358 150 Y HN 0.706 nan 8.280 nan 0.000 0.487 151 S N -0.429 115.439 115.700 0.280 0.000 2.590 151 S HA 0.278 4.748 4.470 0.000 0.000 0.286 151 S C -1.447 173.242 174.600 0.148 0.000 1.147 151 S CA -0.694 57.610 58.200 0.174 0.000 0.963 151 S CB 0.596 63.819 63.200 0.038 0.000 1.124 151 S HN 0.516 nan 8.310 nan 0.000 0.458 152 S N 3.068 118.820 115.700 0.087 0.000 4.053 152 S HA 0.133 4.603 4.470 0.000 0.000 0.184 152 S C 0.230 174.787 174.600 -0.072 0.000 1.324 152 S CA -0.098 58.046 58.200 -0.094 0.000 0.956 152 S CB -0.392 62.744 63.200 -0.106 0.000 1.503 152 S HN 0.648 nan 8.310 nan 0.000 0.440 153 V N 2.275 122.134 119.914 -0.090 0.000 2.607 153 V HA 0.541 4.661 4.120 0.000 0.000 0.289 153 V C 0.086 176.081 176.094 -0.165 0.000 1.053 153 V CA -0.228 61.971 62.300 -0.169 0.000 0.996 153 V CB 1.885 33.530 31.823 -0.297 0.000 0.995 153 V HN 0.459 nan 8.190 nan 0.000 0.476 154 S N 4.706 120.304 115.700 -0.171 0.000 2.498 154 S HA 0.364 4.835 4.470 0.000 0.000 0.317 154 S C 0.499 174.998 174.600 -0.168 0.000 1.090 154 S CA -0.697 57.414 58.200 -0.148 0.000 1.089 154 S CB 1.655 64.793 63.200 -0.103 0.000 0.997 154 S HN 0.832 nan 8.310 nan 0.000 0.470 155 Q N 3.070 122.772 119.800 -0.163 0.000 2.508 155 Q HA -0.072 4.268 4.340 0.000 0.000 0.214 155 Q C 1.180 177.159 176.000 -0.035 0.000 0.979 155 Q CA 1.228 56.993 55.803 -0.062 0.000 0.911 155 Q CB -0.034 28.727 28.738 0.037 0.000 0.969 155 Q HN 0.784 nan 8.270 nan 0.000 0.504 156 Q N -0.275 119.442 119.800 -0.137 0.000 2.376 156 Q HA 0.004 4.344 4.340 0.000 0.000 0.206 156 Q C 0.009 175.924 176.000 -0.142 0.000 0.921 156 Q CA 0.244 55.947 55.803 -0.168 0.000 0.911 156 Q CB 0.562 29.153 28.738 -0.245 0.000 1.032 156 Q HN 0.079 nan 8.270 nan 0.000 0.510 157 D N 0.096 120.436 120.400 -0.101 0.000 2.414 157 D HA 0.162 4.802 4.640 0.000 0.000 0.232 157 D C -2.150 174.100 176.300 -0.082 0.000 1.070 157 D CA -2.442 51.498 54.000 -0.100 0.000 0.839 157 D CB 1.675 42.438 40.800 -0.060 0.000 1.079 157 D HN -0.207 nan 8.370 nan 0.000 0.521 158 P HA 0.039 nan 4.420 nan 0.000 0.231 158 P C -0.169 176.814 177.300 -0.529 0.000 1.158 158 P CA 0.336 63.016 63.100 -0.700 0.000 0.763 158 P CB 0.062 31.173 31.700 -0.981 0.000 0.805 159 A N 0.223 122.864 122.820 -0.299 0.000 2.511 159 A HA 0.205 4.525 4.320 0.000 0.000 0.242 159 A C -0.083 177.318 177.584 -0.306 0.000 1.069 159 A CA 0.043 51.746 52.037 -0.556 0.000 0.763 159 A CB -0.563 18.222 19.000 -0.357 0.000 1.001 159 A HN 0.171 nan 8.150 nan 0.000 0.498 160 L N 2.930 123.907 121.223 -0.409 0.000 2.282 160 L HA 0.623 4.963 4.340 0.000 0.000 0.288 160 L C 0.180 176.948 176.870 -0.170 0.000 1.033 160 L CA 0.335 55.069 54.840 -0.178 0.000 0.807 160 L CB 1.643 43.568 42.059 -0.223 0.000 1.209 160 L HN 0.562 nan 8.230 nan 0.000 0.423 161 S N 4.592 120.244 115.700 -0.080 0.000 2.707 161 S HA 0.596 5.066 4.470 0.000 0.000 0.312 161 S C -0.968 173.622 174.600 -0.017 0.000 1.116 161 S CA -0.619 57.539 58.200 -0.069 0.000 1.078 161 S CB 0.883 64.044 63.200 -0.065 0.000 0.997 161 S HN 0.443 nan 8.310 nan 0.000 0.477 162 V N 6.454 126.361 119.914 -0.012 0.000 2.408 162 V HA 0.368 4.488 4.120 0.000 0.000 0.267 162 V C 0.453 176.541 176.094 -0.010 0.000 1.047 162 V CA -0.731 61.575 62.300 0.010 0.000 0.937 162 V CB 0.774 32.621 31.823 0.040 0.000 0.999 162 V HN 0.843 nan 8.190 nan 0.000 0.472 163 N N 5.599 124.305 118.700 0.010 0.000 2.421 163 N HA 0.471 5.211 4.740 0.000 0.000 0.285 163 N C -1.013 174.459 175.510 -0.063 0.000 1.027 163 N CA -0.462 52.582 53.050 -0.010 0.000 0.918 163 N CB 1.641 40.168 38.487 0.066 0.000 1.152 163 N HN 0.584 nan 8.380 nan 0.000 0.485 164 I N 4.129 124.616 120.570 -0.139 0.000 2.464 164 I HA 0.275 4.445 4.170 0.000 0.000 0.277 164 I C 0.494 176.449 176.117 -0.270 0.000 1.040 164 I CA -0.446 60.739 61.300 -0.191 0.000 1.153 164 I CB 0.719 38.586 38.000 -0.221 0.000 1.274 164 I HN 0.622 nan 8.210 nan 0.000 0.469 165 R N 3.700 124.081 120.500 -0.199 0.000 3.878 165 R HA -0.205 4.135 4.340 0.000 0.000 0.330 165 R C 0.969 177.164 176.300 -0.176 0.000 1.186 165 R CA 0.622 56.603 56.100 -0.199 0.000 0.885 165 R CB -1.876 28.188 30.300 -0.394 0.000 1.377 165 R HN 1.088 nan 8.270 nan 0.000 0.523 166 G N -0.807 107.816 108.800 -0.295 0.000 2.278 166 G HA2 -0.240 3.720 3.960 0.000 0.000 0.210 166 G HA3 -0.240 3.720 3.960 0.000 0.000 0.210 166 G C 0.104 174.859 174.900 -0.241 0.000 1.000 166 G CA -0.110 44.880 45.100 -0.183 0.000 0.635 166 G HN 0.138 nan 8.290 nan 0.000 0.495 167 I N 1.815 122.064 120.570 -0.536 0.000 2.395 167 I HA 0.525 4.695 4.170 0.000 0.000 0.289 167 I C 1.115 177.147 176.117 -0.143 0.000 1.023 167 I CA 0.708 61.786 61.300 -0.370 0.000 1.350 167 I CB 1.720 39.420 38.000 -0.500 0.000 1.409 167 I HN 0.542 nan 8.210 nan 0.000 0.507 168 Q N 2.095 121.880 119.800 -0.025 0.000 2.399 168 Q HA 0.227 4.567 4.340 0.000 0.000 0.205 168 Q C -0.558 175.411 176.000 -0.052 0.000 0.733 168 Q CA -0.499 55.289 55.803 -0.024 0.000 0.916 168 Q CB 0.234 28.995 28.738 0.040 0.000 1.299 168 Q HN 0.414 nan 8.270 nan 0.000 0.455 169 D N 1.380 121.756 120.400 -0.040 0.000 2.372 169 D HA 0.215 4.855 4.640 0.000 0.000 0.243 169 D C -0.140 176.107 176.300 -0.089 0.000 1.121 169 D CA 0.431 54.341 54.000 -0.150 0.000 0.898 169 D CB 0.279 41.017 40.800 -0.104 0.000 1.202 169 D HN 0.150 nan 8.370 nan 0.000 0.428 170 Y N -0.024 120.202 120.300 -0.123 0.000 2.896 170 Y HA -0.353 4.198 4.550 0.000 0.000 0.464 170 Y C 2.071 177.890 175.900 -0.134 0.000 1.198 170 Y CA 0.941 58.953 58.100 -0.147 0.000 2.486 170 Y CB -1.423 36.922 38.460 -0.191 0.000 1.234 170 Y HN 0.488 nan 8.280 nan 0.000 0.634 171 G N -0.206 108.635 108.800 0.070 0.000 2.479 171 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 171 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 171 G C 1.391 176.261 174.900 -0.051 0.000 1.115 171 G CA 1.364 46.453 45.100 -0.018 0.000 0.757 171 G HN 0.559 nan 8.290 nan 0.000 0.560 172 R N -0.744 119.725 120.500 -0.052 0.000 2.159 172 R HA -0.135 4.205 4.340 0.000 0.000 0.249 172 R C 0.420 176.671 176.300 -0.081 0.000 1.136 172 R CA 1.242 57.300 56.100 -0.069 0.000 0.951 172 R CB -0.561 29.706 30.300 -0.057 0.000 0.876 172 R HN 0.275 nan 8.270 nan 0.000 0.440 173 V N 1.804 121.670 119.914 -0.081 0.000 2.357 173 V HA 0.084 4.204 4.120 0.000 0.000 0.284 173 V C -0.526 175.520 176.094 -0.080 0.000 1.018 173 V CA -0.850 61.397 62.300 -0.089 0.000 0.841 173 V CB 1.379 33.148 31.823 -0.091 0.000 0.991 173 V HN 0.206 nan 8.190 nan 0.000 0.437 174 N N 6.085 124.735 118.700 -0.084 0.000 2.466 174 N HA 0.213 4.953 4.740 0.000 0.000 0.263 174 N C -0.237 175.236 175.510 -0.062 0.000 1.178 174 N CA 0.085 53.080 53.050 -0.091 0.000 0.983 174 N CB 0.135 38.560 38.487 -0.103 0.000 1.331 174 N HN 0.615 nan 8.380 nan 0.000 0.500 175 M N 2.797 122.366 119.600 -0.051 0.000 2.143 175 M HA 0.173 4.653 4.480 0.000 0.000 0.348 175 M C -0.159 176.114 176.300 -0.045 0.000 1.375 175 M CA -0.210 55.093 55.300 0.005 0.000 1.124 175 M CB 0.128 32.704 32.600 -0.041 0.000 1.669 175 M HN 0.535 nan 8.290 nan 0.000 0.469 176 N N 3.402 122.114 118.700 0.020 0.000 2.396 176 N HA 0.713 5.453 4.740 0.000 0.000 0.275 176 N C -1.282 174.229 175.510 0.002 0.000 1.218 176 N CA -1.129 51.883 53.050 -0.062 0.000 0.812 176 N CB 1.717 40.131 38.487 -0.121 0.000 1.592 176 N HN 0.680 nan 8.380 nan 0.000 0.480 177 I N -1.811 118.704 120.570 -0.091 0.000 2.354 177 I HA 0.511 4.681 4.170 0.000 0.000 0.286 177 I C -0.780 175.271 176.117 -0.111 0.000 1.007 177 I CA -0.546 60.720 61.300 -0.056 0.000 1.167 177 I CB 1.132 39.075 38.000 -0.094 0.000 1.320 177 I HN 0.570 nan 8.210 nan 0.000 0.458 178 D N 4.781 125.135 120.400 -0.078 0.000 2.983 178 D HA -0.206 4.434 4.640 0.000 0.000 0.225 178 D C 1.183 177.389 176.300 -0.157 0.000 1.174 178 D CA 1.827 55.765 54.000 -0.104 0.000 0.831 178 D CB -1.222 39.523 40.800 -0.092 0.000 1.104 178 D HN 1.336 nan 8.370 nan 0.000 0.421 179 G N -1.197 107.495 108.800 -0.180 0.000 2.194 179 G HA2 -0.320 3.640 3.960 0.000 0.000 0.236 179 G HA3 -0.320 3.640 3.960 0.000 0.000 0.236 179 G C 0.311 174.951 174.900 -0.433 0.000 0.987 179 G CA 0.241 45.205 45.100 -0.227 0.000 0.635 179 G HN 0.383 nan 8.290 nan 0.000 0.520 180 M N 1.902 121.175 119.600 -0.544 0.000 2.108 180 M HA 0.360 4.840 4.480 0.000 0.000 0.347 180 M C 0.765 176.807 176.300 -0.430 0.000 1.326 180 M CA -0.199 54.565 55.300 -0.895 0.000 1.126 180 M CB 0.588 32.802 32.600 -0.644 0.000 1.606 180 M HN 0.114 nan 8.290 nan 0.000 0.462 181 R N 2.654 122.971 120.500 -0.306 0.000 2.484 181 R HA 0.040 4.380 4.340 0.000 0.000 0.293 181 R C -0.247 175.979 176.300 -0.124 0.000 1.023 181 R CA 0.083 56.067 56.100 -0.194 0.000 1.037 181 R CB 0.403 30.521 30.300 -0.302 0.000 0.951 181 R HN 0.497 nan 8.270 nan 0.000 0.418 182 Q N 2.929 122.650 119.800 -0.130 0.000 2.509 182 Q HA 0.131 4.471 4.340 0.000 0.000 0.230 182 Q C -0.283 175.682 176.000 -0.058 0.000 1.089 182 Q CA -0.208 55.541 55.803 -0.091 0.000 0.901 182 Q CB 1.010 29.672 28.738 -0.127 0.000 1.208 182 Q HN 0.486 nan 8.270 nan 0.000 0.529 183 N N 1.165 119.853 118.700 -0.021 0.000 2.270 183 N HA 0.020 4.761 4.740 0.000 0.000 0.198 183 N C 0.060 175.591 175.510 0.036 0.000 1.117 183 N CA -0.125 52.919 53.050 -0.009 0.000 0.845 183 N CB 0.248 38.732 38.487 -0.005 0.000 0.980 183 N HN 0.385 nan 8.380 nan 0.000 0.486 184 F N 2.494 122.407 119.950 -0.062 0.000 2.629 184 F HA 0.012 4.539 4.527 0.000 0.000 0.377 184 F C 0.589 176.359 175.800 -0.050 0.000 1.101 184 F CA 0.511 58.488 58.000 -0.038 0.000 1.301 184 F CB 0.600 39.590 39.000 -0.017 0.000 1.062 184 F HN -0.079 nan 8.300 nan 0.000 0.583 185 Q N 6.556 125.773 119.800 -0.972 0.000 2.309 185 Q HA 0.281 4.621 4.340 0.000 0.000 0.273 185 Q C -1.871 173.614 176.000 -0.857 0.000 1.040 185 Q CA -0.888 54.484 55.803 -0.718 0.000 0.834 185 Q CB 2.090 30.640 28.738 -0.314 0.000 1.345 185 Q HN 0.876 nan 8.270 nan 0.000 0.414 186 K N 2.258 122.331 120.400 -0.545 0.000 2.545 186 K HA 0.413 4.733 4.320 0.000 0.000 0.252 186 K C -1.024 175.503 176.600 -0.121 0.000 0.948 186 K CA -0.317 55.793 56.287 -0.295 0.000 0.827 186 K CB 1.472 33.895 32.500 -0.128 0.000 1.128 186 K HN 0.586 nan 8.250 nan 0.000 0.429 187 S N 1.660 117.325 115.700 -0.057 0.000 2.533 187 S HA 0.381 4.851 4.470 0.000 0.000 0.282 187 S C 0.234 174.837 174.600 0.004 0.000 1.304 187 S CA 0.191 58.399 58.200 0.014 0.000 1.063 187 S CB 1.151 64.382 63.200 0.052 0.000 0.881 187 S HN 0.851 nan 8.310 nan 0.000 0.493 188 G N 1.344 110.153 108.800 0.014 0.000 3.000 188 G HA2 0.267 4.227 3.960 0.000 0.000 0.170 188 G HA3 0.267 4.227 3.960 0.000 0.000 0.170 188 G C -0.495 174.406 174.900 0.002 0.000 1.160 188 G CA -0.611 44.456 45.100 -0.055 0.000 0.945 188 G HN 0.711 nan 8.290 nan 0.000 0.593 189 H N 0.313 119.468 119.070 0.141 0.000 2.566 189 H HA 0.344 4.900 4.556 0.000 0.000 0.280 189 H C 1.837 177.118 175.328 -0.079 0.000 1.042 189 H CA 0.707 56.855 56.048 0.166 0.000 1.168 189 H CB 0.267 30.086 29.762 0.094 0.000 1.340 189 H HN 0.966 nan 8.280 nan 0.000 0.597 190 G N 0.781 109.637 108.800 0.094 0.000 2.155 190 G HA2 -0.417 3.543 3.960 0.000 0.000 0.257 190 G HA3 -0.417 3.543 3.960 0.000 0.000 0.257 190 G C 1.025 175.937 174.900 0.020 0.000 0.983 190 G CA 0.732 45.839 45.100 0.012 0.000 0.676 190 G HN 0.405 nan 8.290 nan 0.000 0.528 191 Q N -0.248 119.610 119.800 0.097 0.000 2.030 191 Q HA 0.031 4.371 4.340 0.000 0.000 0.204 191 Q C 1.299 177.320 176.000 0.035 0.000 0.986 191 Q CA 2.105 57.988 55.803 0.134 0.000 0.843 191 Q CB -0.021 28.747 28.738 0.050 0.000 0.904 191 Q HN 0.841 nan 8.270 nan 0.000 0.420 192 R N -0.429 120.057 120.500 -0.023 0.000 2.569 192 R HA 0.381 4.721 4.340 0.000 0.000 0.293 192 R C -1.667 174.538 176.300 -0.157 0.000 1.186 192 R CA -0.215 55.837 56.100 -0.079 0.000 0.956 192 R CB -0.271 29.991 30.300 -0.065 0.000 1.196 192 R HN -0.034 nan 8.270 nan 0.000 0.444 193 N N 1.904 120.442 118.700 -0.270 0.000 2.469 193 N HA 0.530 5.270 4.740 0.000 0.000 0.239 193 N C -0.543 174.587 175.510 -0.633 0.000 1.053 193 N CA -0.142 52.612 53.050 -0.494 0.000 0.937 193 N CB 1.459 39.493 38.487 -0.755 0.000 1.163 193 N HN 0.910 nan 8.380 nan 0.000 0.509 194 G N 1.080 109.639 108.800 -0.401 0.000 2.673 194 G HA2 -0.049 3.911 3.960 0.000 0.000 0.566 194 G HA3 -0.049 3.911 3.960 0.000 0.000 0.566 194 G C -0.426 174.368 174.900 -0.176 0.000 1.170 194 G CA -0.786 44.139 45.100 -0.292 0.000 1.242 194 G HN 0.484 nan 8.290 nan 0.000 0.568 195 T N -0.664 113.832 114.554 -0.097 0.000 2.901 195 T HA 0.900 5.250 4.350 0.000 0.000 0.293 195 T C 0.176 174.810 174.700 -0.110 0.000 1.084 195 T CA -0.260 61.766 62.100 -0.124 0.000 1.008 195 T CB 2.574 71.350 68.868 -0.154 0.000 1.170 195 T HN 1.767 nan 8.240 nan 0.000 0.509 196 M N 0.046 119.437 119.600 -0.349 0.000 2.779 196 M HA 0.745 5.225 4.480 0.000 0.000 0.277 196 M C -2.110 173.781 176.300 -0.681 0.000 1.284 196 M CA -1.284 53.800 55.300 -0.361 0.000 0.801 196 M CB 2.044 34.458 32.600 -0.311 0.000 1.712 196 M HN 0.643 nan 8.290 nan 0.000 0.453 197 Y N 0.827 120.960 120.300 -0.278 0.000 2.333 197 Y HA 0.688 5.238 4.550 0.000 0.000 0.324 197 Y C -1.221 174.514 175.900 -0.275 0.000 1.033 197 Y CA -0.697 57.237 58.100 -0.276 0.000 1.224 197 Y CB 1.718 40.023 38.460 -0.259 0.000 1.120 197 Y HN 0.615 nan 8.280 nan 0.000 0.457 198 I N 2.161 122.614 120.570 -0.194 0.000 2.569 198 I HA 0.342 4.512 4.170 0.000 0.000 0.296 198 I C 0.523 176.578 176.117 -0.103 0.000 1.028 198 I CA -0.274 60.915 61.300 -0.186 0.000 1.082 198 I CB 1.666 39.470 38.000 -0.327 0.000 1.264 198 I HN 0.612 nan 8.210 nan 0.000 0.429 199 D N 2.612 122.973 120.400 -0.065 0.000 2.323 199 D HA -0.069 4.571 4.640 0.000 0.000 0.209 199 D C 1.512 177.795 176.300 -0.029 0.000 0.973 199 D CA 1.427 55.402 54.000 -0.042 0.000 0.874 199 D CB 0.621 41.397 40.800 -0.039 0.000 0.930 199 D HN 0.699 nan 8.370 nan 0.000 0.521 200 S N -0.329 115.364 115.700 -0.012 0.000 2.298 200 S HA -0.345 4.125 4.470 0.000 0.000 0.240 200 S C 1.219 175.810 174.600 -0.015 0.000 1.197 200 S CA 1.999 60.203 58.200 0.008 0.000 1.575 200 S CB -1.530 61.672 63.200 0.004 0.000 2.016 200 S HN 0.314 nan 8.310 nan 0.000 0.604 201 E N 0.582 120.767 120.200 -0.025 0.000 2.371 201 E HA 0.299 4.649 4.350 0.000 0.000 0.194 201 E C 1.364 177.956 176.600 -0.013 0.000 1.012 201 E CA 1.097 57.477 56.400 -0.034 0.000 0.860 201 E CB -0.029 29.653 29.700 -0.031 0.000 0.811 201 E HN 0.799 nan 8.360 nan 0.000 0.502 202 L N 0.512 121.734 121.223 -0.002 0.000 2.818 202 L HA 0.318 4.658 4.340 0.000 0.000 0.243 202 L C -0.235 176.646 176.870 0.018 0.000 1.185 202 L CA -0.249 54.599 54.840 0.013 0.000 0.988 202 L CB 0.258 42.321 42.059 0.006 0.000 1.292 202 L HN -0.029 nan 8.230 nan 0.000 0.519 203 L N -0.130 121.101 121.223 0.012 0.000 2.289 203 L HA 0.235 4.575 4.340 0.000 0.000 0.285 203 L C 1.352 178.216 176.870 -0.011 0.000 1.049 203 L CA -0.158 54.690 54.840 0.014 0.000 0.804 203 L CB 1.913 43.994 42.059 0.037 0.000 1.195 203 L HN 0.137 nan 8.230 nan 0.000 0.428 204 S N 0.634 116.321 115.700 -0.022 0.000 2.501 204 S HA 0.364 4.834 4.470 0.000 0.000 0.220 204 S C 0.652 175.210 174.600 -0.070 0.000 0.997 204 S CA 0.191 58.358 58.200 -0.054 0.000 0.919 204 S CB 0.355 63.517 63.200 -0.064 0.000 0.778 204 S HN 0.896 nan 8.310 nan 0.000 0.523 205 G N -0.393 108.367 108.800 -0.066 0.000 2.328 205 G HA2 0.426 4.386 3.960 0.000 0.000 0.299 205 G HA3 0.426 4.386 3.960 0.000 0.000 0.299 205 G C -2.016 172.806 174.900 -0.129 0.000 1.435 205 G CA -0.471 44.573 45.100 -0.093 0.000 0.865 205 G HN 0.470 nan 8.290 nan 0.000 0.601 206 V N 0.577 120.371 119.914 -0.201 0.000 2.686 206 V HA 0.785 4.905 4.120 0.000 0.000 0.306 206 V C 0.102 176.023 176.094 -0.289 0.000 1.065 206 V CA -0.170 61.923 62.300 -0.344 0.000 0.894 206 V CB 1.995 33.451 31.823 -0.612 0.000 1.004 206 V HN 1.425 nan 8.190 nan 0.000 0.424 207 T N 2.662 117.065 114.554 -0.251 0.000 2.770 207 T HA 0.705 5.055 4.350 0.000 0.000 0.283 207 T C -0.570 174.001 174.700 -0.214 0.000 0.988 207 T CA -0.399 61.599 62.100 -0.171 0.000 0.957 207 T CB 0.777 69.646 68.868 0.001 0.000 0.930 207 T HN 0.413 nan 8.240 nan 0.000 0.443 208 I N 3.737 124.168 120.570 -0.231 0.000 2.313 208 I HA 0.219 4.389 4.170 0.000 0.000 0.286 208 I C 0.049 176.053 176.117 -0.188 0.000 1.091 208 I CA -0.640 60.527 61.300 -0.222 0.000 1.216 208 I CB 0.613 38.468 38.000 -0.243 0.000 1.434 208 I HN 0.655 nan 8.210 nan 0.000 0.487 209 D N 7.450 127.761 120.400 -0.148 0.000 2.336 209 D HA 0.181 4.821 4.640 0.000 0.000 0.249 209 D C -0.168 176.041 176.300 -0.151 0.000 1.213 209 D CA -0.047 53.876 54.000 -0.129 0.000 0.870 209 D CB 0.731 41.477 40.800 -0.089 0.000 1.076 209 D HN 0.353 nan 8.370 nan 0.000 0.483 210 K N 1.624 121.920 120.400 -0.174 0.000 2.087 210 K HA 0.689 5.010 4.320 0.000 0.000 0.255 210 K C 0.680 177.170 176.600 -0.183 0.000 0.988 210 K CA -0.723 55.439 56.287 -0.208 0.000 0.915 210 K CB 1.385 33.725 32.500 -0.268 0.000 1.043 210 K HN 0.566 nan 8.250 nan 0.000 0.457 211 G N 0.418 109.094 108.800 -0.207 0.000 2.698 211 G HA2 -0.234 3.726 3.960 0.000 0.000 0.225 211 G HA3 -0.234 3.726 3.960 0.000 0.000 0.225 211 G C -0.414 174.412 174.900 -0.122 0.000 1.345 211 G CA -0.494 44.511 45.100 -0.157 0.000 0.871 211 G HN 0.773 nan 8.290 nan 0.000 0.540 212 T N -1.510 112.985 114.554 -0.098 0.000 2.907 212 T HA 0.695 5.045 4.350 0.000 0.000 0.298 212 T C 0.580 175.226 174.700 -0.090 0.000 1.017 212 T CA 0.936 62.980 62.100 -0.094 0.000 1.118 212 T CB 1.367 70.169 68.868 -0.110 0.000 0.948 212 T HN 2.099 nan 8.240 nan 0.000 0.531 213 T N -0.527 113.977 114.554 -0.083 0.000 2.883 213 T HA 0.795 5.145 4.350 0.000 0.000 0.296 213 T C 0.007 174.660 174.700 -0.079 0.000 1.117 213 T CA -0.817 61.234 62.100 -0.083 0.000 1.006 213 T CB 1.746 70.558 68.868 -0.094 0.000 1.191 213 T HN 1.015 nan 8.240 nan 0.000 0.508 214 G N -1.536 107.212 108.800 -0.086 0.000 2.537 214 G HA2 0.797 4.757 3.960 0.000 0.000 0.308 214 G HA3 0.797 4.757 3.960 0.000 0.000 0.308 214 G C 0.273 175.041 174.900 -0.220 0.000 1.237 214 G CA -0.265 44.777 45.100 -0.098 0.000 0.968 214 G HN 1.740 nan 8.290 nan 0.000 0.481 215 G N -0.441 108.103 108.800 -0.427 0.000 2.548 215 G HA2 0.203 4.163 3.960 0.000 0.000 0.208 215 G HA3 0.203 4.163 3.960 0.000 0.000 0.208 215 G C 0.011 174.273 174.900 -1.064 0.000 1.308 215 G CA 0.091 44.582 45.100 -1.014 0.000 0.924 215 G HN 1.322 nan 8.290 nan 0.000 0.540 216 M N 1.830 120.904 119.600 -0.876 0.000 2.246 216 M HA 0.475 4.955 4.480 0.000 0.000 0.350 216 M C 1.488 177.673 176.300 -0.193 0.000 1.406 216 M CA 1.869 56.953 55.300 -0.359 0.000 1.089 216 M CB -0.078 32.460 32.600 -0.104 0.000 1.782 216 M HN 2.689 nan 8.290 nan 0.000 0.457 217 G N 2.515 111.262 108.800 -0.088 0.000 2.175 217 G HA2 -0.235 3.725 3.960 0.000 0.000 0.244 217 G HA3 -0.235 3.725 3.960 0.000 0.000 0.244 217 G C 0.807 175.667 174.900 -0.068 0.000 0.982 217 G CA 0.452 45.513 45.100 -0.065 0.000 0.641 217 G HN 0.697 nan 8.290 nan 0.000 0.527 218 S N 0.051 115.704 115.700 -0.079 0.000 2.478 218 S HA 0.475 4.945 4.470 0.000 0.000 0.222 218 S C 1.639 176.245 174.600 0.009 0.000 1.008 218 S CA 0.798 58.963 58.200 -0.058 0.000 0.928 218 S CB 0.196 63.341 63.200 -0.092 0.000 0.781 218 S HN 1.687 nan 8.310 nan 0.000 0.518 219 A N 1.368 124.231 122.820 0.072 0.000 2.553 219 A HA 0.432 4.752 4.320 0.000 0.000 0.258 219 A C 1.415 179.067 177.584 0.113 0.000 1.069 219 A CA 0.574 52.695 52.037 0.139 0.000 0.767 219 A CB -1.028 18.117 19.000 0.242 0.000 0.997 219 A HN 1.007 nan 8.150 nan 0.000 0.512 220 G N 2.661 111.493 108.800 0.052 0.000 2.176 220 G HA2 -0.182 3.778 3.960 0.000 0.000 0.252 220 G HA3 -0.182 3.778 3.960 0.000 0.000 0.252 220 G C 0.277 175.149 174.900 -0.046 0.000 1.024 220 G CA 0.501 45.580 45.100 -0.034 0.000 0.755 220 G HN 1.156 nan 8.290 nan 0.000 0.507 221 T N 0.233 114.769 114.554 -0.029 0.000 2.758 221 T HA 0.560 4.910 4.350 0.000 0.000 0.285 221 T C 1.073 175.742 174.700 -0.052 0.000 0.981 221 T CA -0.372 61.697 62.100 -0.051 0.000 0.965 221 T CB 1.455 70.289 68.868 -0.057 0.000 0.927 221 T HN 0.079 nan 8.240 nan 0.000 0.448 222 L N 2.790 123.974 121.223 -0.064 0.000 2.467 222 L HA 0.397 4.737 4.340 0.000 0.000 0.213 222 L C 2.364 179.174 176.870 -0.101 0.000 1.053 222 L CA 1.014 55.822 54.840 -0.054 0.000 0.847 222 L CB -0.475 41.575 42.059 -0.015 0.000 1.075 222 L HN 0.772 nan 8.230 nan 0.000 0.479 223 G N -1.599 107.117 108.800 -0.140 0.000 2.709 223 G HA2 0.502 4.462 3.960 0.000 0.000 0.208 223 G HA3 0.502 4.462 3.960 0.000 0.000 0.208 223 G C 0.622 175.410 174.900 -0.187 0.000 1.129 223 G CA 0.662 45.639 45.100 -0.205 0.000 0.793 223 G HN 0.557 nan 8.290 nan 0.000 0.524 224 G N -0.754 107.958 108.800 -0.147 0.000 2.352 224 G HA2 0.295 4.255 3.960 0.000 0.000 0.283 224 G HA3 0.295 4.255 3.960 0.000 0.000 0.283 224 G C -1.872 172.958 174.900 -0.118 0.000 1.308 224 G CA -0.798 44.219 45.100 -0.139 0.000 0.892 224 G HN 0.358 nan 8.290 nan 0.000 0.504 225 I N 0.664 121.164 120.570 -0.117 0.000 2.499 225 I HA 0.623 4.793 4.170 0.000 0.000 0.288 225 I C 0.201 176.254 176.117 -0.107 0.000 1.048 225 I CA -0.974 60.266 61.300 -0.102 0.000 1.062 225 I CB 2.267 40.208 38.000 -0.099 0.000 1.238 225 I HN 0.857 nan 8.210 nan 0.000 0.426 226 A N 4.163 126.937 122.820 -0.075 0.000 2.511 226 A HA 0.570 4.890 4.320 0.000 0.000 0.340 226 A C -0.125 177.427 177.584 -0.054 0.000 1.396 226 A CA -0.409 51.571 52.037 -0.095 0.000 0.887 226 A CB -0.028 18.977 19.000 0.007 0.000 1.145 226 A HN 0.641 nan 8.150 nan 0.000 0.497 227 T N 2.902 117.366 114.554 -0.151 0.000 2.723 227 T HA 0.403 4.753 4.350 0.000 0.000 0.297 227 T C -0.556 174.043 174.700 -0.169 0.000 0.925 227 T CA 0.334 62.383 62.100 -0.085 0.000 1.030 227 T CB -0.475 68.338 68.868 -0.093 0.000 0.905 227 T HN 0.323 nan 8.240 nan 0.000 0.502 228 F N 3.546 123.433 119.950 -0.104 0.000 2.404 228 F HA 0.332 4.859 4.527 0.000 0.000 0.358 228 F C 0.951 176.695 175.800 -0.093 0.000 1.120 228 F CA -1.079 56.864 58.000 -0.096 0.000 1.144 228 F CB 0.584 39.524 39.000 -0.100 0.000 1.133 228 F HN 0.372 nan 8.300 nan 0.000 0.495 229 N N 2.039 120.756 118.700 0.028 0.000 2.425 229 N HA 0.213 4.953 4.740 0.000 0.000 0.268 229 N C -0.075 175.438 175.510 0.005 0.000 0.991 229 N CA -0.279 52.768 53.050 -0.006 0.000 0.931 229 N CB 1.643 40.104 38.487 -0.043 0.000 1.130 229 N HN 0.569 nan 8.380 nan 0.000 0.493 230 T N -1.839 112.714 114.554 -0.001 0.000 2.899 230 T HA 0.317 4.667 4.350 0.000 0.000 0.284 230 T C 0.726 175.430 174.700 0.008 0.000 1.004 230 T CA -0.738 61.364 62.100 0.004 0.000 1.043 230 T CB 0.809 69.673 68.868 -0.006 0.000 1.013 230 T HN 0.089 nan 8.240 nan 0.000 0.518 231 V N 3.145 123.079 119.914 0.033 0.000 2.814 231 V HA 0.268 4.389 4.120 0.000 0.000 0.307 231 V C 0.869 177.007 176.094 0.073 0.000 1.089 231 V CA 0.378 62.727 62.300 0.080 0.000 1.212 231 V CB 0.128 32.047 31.823 0.160 0.000 0.912 231 V HN 1.225 nan 8.190 nan 0.000 0.497 232 S N 3.076 118.824 115.700 0.080 0.000 2.599 232 S HA 0.727 5.197 4.470 0.000 0.000 0.287 232 S C 0.761 175.427 174.600 0.110 0.000 1.105 232 S CA -0.236 57.995 58.200 0.053 0.000 0.899 232 S CB 1.966 65.162 63.200 -0.008 0.000 1.100 232 S HN 0.977 nan 8.310 nan 0.000 0.482 233 A N 1.664 124.523 122.820 0.065 0.000 1.978 233 A HA -0.061 4.259 4.320 0.000 0.000 0.220 233 A C 2.138 179.765 177.584 0.072 0.000 1.170 233 A CA 1.953 54.039 52.037 0.081 0.000 0.636 233 A CB -1.434 17.568 19.000 0.003 0.000 0.810 233 A HN 1.326 nan 8.150 nan 0.000 0.448 234 S N -0.095 115.606 115.700 0.002 0.000 2.507 234 S HA -0.110 4.360 4.470 0.000 0.000 0.235 234 S C 0.986 175.524 174.600 -0.102 0.000 0.988 234 S CA 1.122 59.296 58.200 -0.044 0.000 0.944 234 S CB -0.311 62.852 63.200 -0.062 0.000 0.762 234 S HN 0.524 nan 8.310 nan 0.000 0.526 235 D N 0.792 121.096 120.400 -0.160 0.000 2.277 235 D HA 0.110 4.750 4.640 0.000 0.000 0.208 235 D C 0.691 176.587 176.300 -0.673 0.000 0.962 235 D CA 0.788 54.511 54.000 -0.463 0.000 0.865 235 D CB -0.166 40.225 40.800 -0.681 0.000 0.939 235 D HN 0.587 nan 8.370 nan 0.000 0.510 236 F N -0.441 119.436 119.950 -0.122 0.000 2.728 236 F HA 0.286 4.813 4.527 0.000 0.000 0.314 236 F C 0.891 176.611 175.800 -0.135 0.000 1.094 236 F CA -0.242 57.663 58.000 -0.159 0.000 1.217 236 F CB 0.661 39.527 39.000 -0.223 0.000 1.056 236 F HN -0.257 nan 8.300 nan 0.000 0.577 237 L N 0.055 121.303 121.223 0.041 0.000 2.331 237 L HA 0.907 5.247 4.340 0.000 0.000 0.268 237 L C -0.150 176.707 176.870 -0.021 0.000 1.015 237 L CA -1.047 53.800 54.840 0.010 0.000 0.807 237 L CB 1.723 43.789 42.059 0.011 0.000 1.293 237 L HN -0.044 nan 8.230 nan 0.000 0.451 238 A N 0.584 123.395 122.820 -0.015 0.000 2.609 238 A HA 0.639 4.959 4.320 0.000 0.000 0.291 238 A C -2.440 175.136 177.584 -0.013 0.000 1.096 238 A CA -1.009 51.015 52.037 -0.022 0.000 0.684 238 A CB 1.085 20.072 19.000 -0.023 0.000 1.282 238 A HN 0.479 nan 8.150 nan 0.000 0.412 239 P HA -0.138 nan 4.420 nan 0.000 0.216 239 P C 1.454 178.752 177.300 -0.002 0.000 1.154 239 P CA 2.461 65.555 63.100 -0.009 0.000 0.865 239 P CB 0.223 31.917 31.700 -0.011 0.000 0.789 240 G N -1.517 107.282 108.800 -0.001 0.000 2.662 240 G HA2 -0.073 3.887 3.960 0.000 0.000 0.212 240 G HA3 -0.073 3.887 3.960 0.000 0.000 0.212 240 G C 0.523 175.429 174.900 0.010 0.000 1.141 240 G CA -0.065 45.038 45.100 0.005 0.000 0.797 240 G HN 0.234 nan 8.290 nan 0.000 0.531 241 K N 1.217 121.623 120.400 0.009 0.000 2.248 241 K HA 0.254 4.574 4.320 0.000 0.000 0.281 241 K C 0.085 176.697 176.600 0.019 0.000 1.054 241 K CA -0.143 56.155 56.287 0.018 0.000 0.903 241 K CB 0.719 33.229 32.500 0.016 0.000 1.077 241 K HN 0.113 nan 8.250 nan 0.000 0.474 242 E N 3.790 124.007 120.200 0.028 0.000 2.498 242 E HA 0.118 4.468 4.350 0.000 0.000 0.203 242 E C -0.465 176.158 176.600 0.037 0.000 1.013 242 E CA -0.062 56.354 56.400 0.025 0.000 0.927 242 E CB 0.603 30.317 29.700 0.023 0.000 1.012 242 E HN 0.421 nan 8.360 nan 0.000 0.482 243 L N 0.437 121.695 121.223 0.058 0.000 2.516 243 L HA 0.587 4.927 4.340 0.000 0.000 0.267 243 L C -0.840 176.093 176.870 0.104 0.000 0.957 243 L CA -0.527 54.369 54.840 0.093 0.000 0.860 243 L CB 1.600 43.738 42.059 0.132 0.000 1.265 243 L HN 0.060 nan 8.230 nan 0.000 0.403 244 G N 1.882 110.683 108.800 0.003 0.000 2.727 244 G HA2 0.866 4.826 3.960 0.000 0.000 0.289 244 G HA3 0.866 4.826 3.960 0.000 0.000 0.289 244 G C -0.943 173.492 174.900 -0.776 0.000 1.418 244 G CA -0.233 44.713 45.100 -0.256 0.000 0.818 244 G HN 0.990 nan 8.290 nan 0.000 0.486 245 G N -1.114 106.870 108.800 -1.360 0.000 2.324 245 G HA2 0.539 4.499 3.960 0.000 0.000 0.293 245 G HA3 0.539 4.499 3.960 0.000 0.000 0.293 245 G C -1.874 172.340 174.900 -1.142 0.000 1.297 245 G CA -0.285 43.925 45.100 -1.482 0.000 0.853 245 G HN 0.808 nan 8.290 nan 0.000 0.535 246 K N 0.050 120.115 120.400 -0.559 0.000 2.589 246 K HA 0.516 4.836 4.320 0.000 0.000 0.253 246 K C -1.565 175.112 176.600 0.129 0.000 0.974 246 K CA -0.686 55.563 56.287 -0.062 0.000 0.835 246 K CB 1.336 33.874 32.500 0.063 0.000 1.272 246 K HN 0.467 nan 8.250 nan 0.000 0.444 247 L N 4.680 126.086 121.223 0.305 0.000 2.287 247 L HA 0.456 4.796 4.340 0.000 0.000 0.287 247 L C -0.279 176.757 176.870 0.277 0.000 1.022 247 L CA -0.834 54.169 54.840 0.272 0.000 0.814 247 L CB 1.334 43.562 42.059 0.282 0.000 1.217 247 L HN 0.574 nan 8.230 nan 0.000 0.420 248 H N 3.334 122.475 119.070 0.118 0.000 2.600 248 H HA 0.761 5.317 4.556 0.000 0.000 0.357 248 H C -1.698 173.672 175.328 0.070 0.000 1.106 248 H CA -0.655 55.446 56.048 0.088 0.000 1.193 248 H CB 2.269 32.061 29.762 0.050 0.000 1.594 248 H HN 0.682 nan 8.280 nan 0.000 0.526 249 A N 3.684 126.171 122.820 -0.555 0.000 2.414 249 A HA 0.471 4.791 4.320 0.000 0.000 0.286 249 A C -1.042 176.273 177.584 -0.448 0.000 1.073 249 A CA -0.317 51.519 52.037 -0.335 0.000 0.727 249 A CB 1.047 20.081 19.000 0.057 0.000 1.215 249 A HN 0.713 nan 8.150 nan 0.000 0.430 250 S N 1.072 116.532 115.700 -0.399 0.000 2.570 250 S HA 0.941 5.411 4.470 0.000 0.000 0.286 250 S C -0.357 174.220 174.600 -0.038 0.000 1.099 250 S CA -0.256 57.838 58.200 -0.177 0.000 0.913 250 S CB 2.087 65.239 63.200 -0.079 0.000 1.085 250 S HN 1.510 nan 8.310 nan 0.000 0.480 251 T N -0.312 114.266 114.554 0.040 0.000 2.731 251 T HA 0.867 5.217 4.350 0.000 0.000 0.300 251 T C -0.529 174.213 174.700 0.070 0.000 1.283 251 T CA 0.104 62.260 62.100 0.093 0.000 1.005 251 T CB 1.169 70.129 68.868 0.154 0.000 1.420 251 T HN 1.847 nan 8.240 nan 0.000 0.503 252 G N 1.066 109.912 108.800 0.078 0.000 2.368 252 G HA2 0.488 4.448 3.960 0.000 0.000 0.293 252 G HA3 0.488 4.448 3.960 0.000 0.000 0.293 252 G C -1.593 173.349 174.900 0.070 0.000 1.467 252 G CA -0.149 44.990 45.100 0.065 0.000 0.804 252 G HN 0.911 nan 8.290 nan 0.000 0.535 253 D N -0.927 119.517 120.400 0.074 0.000 2.414 253 D HA 0.350 4.990 4.640 0.000 0.000 0.251 253 D C 0.652 177.007 176.300 0.092 0.000 1.252 253 D CA -0.374 53.681 54.000 0.091 0.000 0.999 253 D CB 0.302 41.157 40.800 0.092 0.000 1.093 253 D HN 0.630 nan 8.370 nan 0.000 0.515 254 N N -1.128 117.659 118.700 0.145 0.000 2.727 254 N HA -0.166 4.574 4.740 0.000 0.000 0.251 254 N C 0.909 176.473 175.510 0.090 0.000 1.040 254 N CA 1.973 55.141 53.050 0.197 0.000 0.712 254 N CB -1.341 37.279 38.487 0.221 0.000 0.912 254 N HN 1.086 nan 8.380 nan 0.000 0.545 255 G N -1.915 106.858 108.800 -0.045 0.000 2.225 255 G HA2 -0.287 3.673 3.960 0.000 0.000 0.254 255 G HA3 -0.287 3.673 3.960 0.000 0.000 0.254 255 G C 0.401 175.027 174.900 -0.457 0.000 0.988 255 G CA 0.506 45.430 45.100 -0.294 0.000 0.625 255 G HN 0.751 nan 8.290 nan 0.000 0.527 256 T N 2.204 116.634 114.554 -0.207 0.000 4.309 256 T HA 0.325 4.675 4.350 0.000 0.000 0.242 256 T C 1.548 176.233 174.700 -0.024 0.000 1.142 256 T CA 0.192 62.226 62.100 -0.109 0.000 1.042 256 T CB -0.154 68.700 68.868 -0.024 0.000 1.366 256 T HN 0.427 nan 8.240 nan 0.000 0.942 257 H N 1.123 120.255 119.070 0.104 0.000 2.290 257 H HA 0.065 4.621 4.556 0.000 0.000 0.298 257 H C 0.340 175.813 175.328 0.241 0.000 1.087 257 H CA 0.937 57.067 56.048 0.137 0.000 1.291 257 H CB 0.044 29.880 29.762 0.124 0.000 1.369 257 H HN 0.568 nan 8.280 nan 0.000 0.492 258 F N -0.812 119.240 119.950 0.169 0.000 2.654 258 F HA 0.405 4.932 4.527 0.000 0.000 0.314 258 F C -1.801 174.061 175.800 0.103 0.000 1.116 258 F CA -0.728 57.347 58.000 0.125 0.000 1.017 258 F CB 1.483 40.566 39.000 0.139 0.000 1.285 258 F HN -0.192 nan 8.300 nan 0.000 0.448 259 I N 5.954 126.068 120.570 -0.760 0.000 2.603 259 I HA 0.505 4.675 4.170 0.000 0.000 0.276 259 I C -0.323 175.363 176.117 -0.719 0.000 1.133 259 I CA -0.422 60.510 61.300 -0.614 0.000 1.070 259 I CB 1.414 39.280 38.000 -0.223 0.000 1.215 259 I HN 0.733 nan 8.210 nan 0.000 0.487 260 G N 2.852 111.090 108.800 -0.937 0.000 2.658 260 G HA2 0.855 4.815 3.960 0.000 0.000 0.292 260 G HA3 0.855 4.815 3.960 0.000 0.000 0.292 260 G C -1.117 173.753 174.900 -0.050 0.000 1.320 260 G CA -0.610 44.251 45.100 -0.397 0.000 0.933 260 G HN 0.500 nan 8.290 nan 0.000 0.476 261 S N -1.639 114.120 115.700 0.099 0.000 2.565 261 S HA 0.811 5.282 4.470 0.000 0.000 0.269 261 S C -0.556 174.117 174.600 0.122 0.000 1.153 261 S CA -0.299 57.964 58.200 0.105 0.000 0.835 261 S CB 1.707 64.950 63.200 0.072 0.000 1.122 261 S HN 1.743 nan 8.310 nan 0.000 0.462 262 G N 0.696 109.550 108.800 0.091 0.000 2.609 262 G HA2 0.695 4.655 3.960 0.000 0.000 0.308 262 G HA3 0.695 4.655 3.960 0.000 0.000 0.308 262 G C -1.168 173.735 174.900 0.005 0.000 1.369 262 G CA -0.809 44.336 45.100 0.076 0.000 0.958 262 G HN 0.793 nan 8.290 nan 0.000 0.499 263 I N 2.403 122.927 120.570 -0.075 0.000 2.418 263 I HA 0.400 4.570 4.170 0.000 0.000 0.287 263 I C -0.708 175.221 176.117 -0.313 0.000 1.008 263 I CA -0.636 60.517 61.300 -0.245 0.000 1.104 263 I CB 2.098 39.816 38.000 -0.469 0.000 1.264 263 I HN 0.106 nan 8.210 nan 0.000 0.438 264 L N 6.073 127.168 121.223 -0.214 0.000 2.356 264 L HA 0.854 5.194 4.340 0.000 0.000 0.277 264 L C -0.335 176.436 176.870 -0.165 0.000 0.996 264 L CA -0.526 54.232 54.840 -0.137 0.000 0.822 264 L CB 1.989 44.057 42.059 0.014 0.000 1.256 264 L HN 0.682 nan 8.230 nan 0.000 0.413 265 A N 4.729 127.442 122.820 -0.178 0.000 2.449 265 A HA 0.988 5.308 4.320 0.000 0.000 0.302 265 A C -1.153 176.408 177.584 -0.038 0.000 1.048 265 A CA -0.514 51.460 52.037 -0.105 0.000 0.708 265 A CB 1.930 20.873 19.000 -0.095 0.000 1.274 265 A HN 0.716 nan 8.150 nan 0.000 0.410 266 L N -0.628 120.582 121.223 -0.023 0.000 2.565 266 L HA 0.963 5.303 4.340 0.000 0.000 0.261 266 L C -0.386 176.471 176.870 -0.021 0.000 0.932 266 L CA -0.406 54.432 54.840 -0.004 0.000 0.878 266 L CB 1.771 43.839 42.059 0.015 0.000 1.333 266 L HN 1.450 nan 8.230 nan 0.000 0.409 267 G N 1.380 110.171 108.800 -0.014 0.000 2.556 267 G HA2 0.456 4.416 3.960 0.000 0.000 0.294 267 G HA3 0.456 4.416 3.960 0.000 0.000 0.294 267 G C -1.414 173.479 174.900 -0.013 0.000 1.516 267 G CA -0.285 44.799 45.100 -0.027 0.000 0.824 267 G HN 0.934 nan 8.290 nan 0.000 0.535 268 N N -0.136 118.558 118.700 -0.010 0.000 2.737 268 N HA 0.333 5.073 4.740 0.000 0.000 0.292 268 N C 0.692 176.202 175.510 0.000 0.000 1.367 268 N CA -0.143 52.908 53.050 0.001 0.000 0.818 268 N CB 0.478 38.971 38.487 0.010 0.000 1.109 268 N HN 0.345 nan 8.380 nan 0.000 0.466 269 E N -1.065 119.141 120.200 0.010 0.000 2.452 269 E HA 0.036 4.386 4.350 0.000 0.000 0.197 269 E C 0.778 177.393 176.600 0.025 0.000 1.022 269 E CA 0.708 57.115 56.400 0.012 0.000 0.890 269 E CB -0.096 29.612 29.700 0.015 0.000 0.918 269 E HN 0.797 nan 8.360 nan 0.000 0.496 270 T N -2.523 112.052 114.554 0.034 0.000 3.060 270 T HA 0.417 4.767 4.350 0.000 0.000 0.249 270 T C 0.884 175.624 174.700 0.067 0.000 1.079 270 T CA 0.351 62.492 62.100 0.067 0.000 1.013 270 T CB 0.860 69.778 68.868 0.084 0.000 0.975 270 T HN 0.133 nan 8.240 nan 0.000 0.518 271 G N 0.973 109.772 108.800 -0.002 0.000 2.325 271 G HA2 0.481 4.441 3.960 0.000 0.000 0.295 271 G HA3 0.481 4.441 3.960 0.000 0.000 0.295 271 G C -2.458 172.373 174.900 -0.115 0.000 1.274 271 G CA -0.245 44.800 45.100 -0.092 0.000 0.857 271 G HN 0.609 nan 8.290 nan 0.000 0.499 272 D N -1.924 118.359 120.400 -0.195 0.000 2.722 272 D HA 0.510 5.150 4.640 0.000 0.000 0.231 272 D C -1.522 174.667 176.300 -0.186 0.000 1.218 272 D CA -0.399 53.515 54.000 -0.144 0.000 0.753 272 D CB 1.360 42.106 40.800 -0.091 0.000 1.471 272 D HN 0.977 nan 8.370 nan 0.000 0.455 273 I N 0.627 121.120 120.570 -0.127 0.000 2.465 273 I HA 0.636 4.806 4.170 0.000 0.000 0.291 273 I C -1.896 174.178 176.117 -0.072 0.000 1.014 273 I CA -0.972 60.258 61.300 -0.116 0.000 1.093 273 I CB 1.669 39.610 38.000 -0.098 0.000 1.267 273 I HN 0.568 nan 8.210 nan 0.000 0.431 274 L N 8.682 129.869 121.223 -0.060 0.000 2.343 274 L HA 0.567 4.907 4.340 0.000 0.000 0.278 274 L C -1.893 174.959 176.870 -0.031 0.000 0.996 274 L CA -0.538 54.275 54.840 -0.046 0.000 0.831 274 L CB 1.308 43.353 42.059 -0.024 0.000 1.232 274 L HN 0.634 nan 8.230 nan 0.000 0.413 275 L N 4.773 125.973 121.223 -0.038 0.000 2.329 275 L HA 0.891 5.231 4.340 0.000 0.000 0.279 275 L C -0.197 176.656 176.870 -0.028 0.000 1.014 275 L CA -0.443 54.388 54.840 -0.014 0.000 0.814 275 L CB 1.849 43.907 42.059 -0.001 0.000 1.257 275 L HN 0.773 nan 8.230 nan 0.000 0.424 276 A N 2.524 125.343 122.820 -0.002 0.000 2.609 276 A HA 0.985 5.305 4.320 0.000 0.000 0.291 276 A C -1.618 175.983 177.584 0.029 0.000 1.096 276 A CA -0.241 51.793 52.037 -0.004 0.000 0.684 276 A CB 2.067 21.055 19.000 -0.021 0.000 1.282 276 A HN 0.852 nan 8.150 nan 0.000 0.412 277 A N 0.162 123.005 122.820 0.038 0.000 2.594 277 A HA 0.852 5.172 4.320 0.000 0.000 0.296 277 A C -0.596 177.029 177.584 0.068 0.000 1.061 277 A CA 0.249 52.323 52.037 0.060 0.000 0.689 277 A CB 1.085 20.131 19.000 0.077 0.000 1.280 277 A HN 2.380 nan 8.150 nan 0.000 0.406 278 S N 1.064 116.804 115.700 0.067 0.000 2.541 278 S HA 0.817 5.287 4.470 0.000 0.000 0.280 278 S C -1.328 173.307 174.600 0.057 0.000 1.112 278 S CA -0.729 57.502 58.200 0.053 0.000 0.925 278 S CB 1.975 65.181 63.200 0.011 0.000 1.067 278 S HN 0.600 nan 8.310 nan 0.000 0.479 279 E N 1.562 121.801 120.200 0.065 0.000 2.199 279 E HA 0.387 4.737 4.350 0.000 0.000 0.265 279 E C -0.886 175.642 176.600 -0.119 0.000 0.882 279 E CA -0.428 56.015 56.400 0.072 0.000 0.759 279 E CB 2.343 32.316 29.700 0.455 0.000 1.148 279 E HN 0.724 nan 8.360 nan 0.000 0.412 280 R N 3.107 123.395 120.500 -0.353 0.000 2.435 280 R HA 0.377 4.718 4.340 0.000 0.000 0.308 280 R C -1.316 174.635 176.300 -0.582 0.000 0.975 280 R CA -0.535 55.345 56.100 -0.366 0.000 0.867 280 R CB 0.526 30.650 30.300 -0.293 0.000 1.171 280 R HN 0.491 nan 8.270 nan 0.000 0.470 281 H N 4.617 123.637 119.070 -0.083 0.000 2.708 281 H HA 0.388 4.944 4.556 0.000 0.000 0.320 281 H C -0.853 174.464 175.328 -0.019 0.000 0.991 281 H CA -0.417 55.616 56.048 -0.025 0.000 1.243 281 H CB 1.463 31.317 29.762 0.153 0.000 1.446 281 H HN 0.317 nan 8.280 nan 0.000 0.502 282 L N 2.174 123.356 121.223 -0.069 0.000 2.381 282 L HA 0.727 5.067 4.340 0.000 0.000 0.268 282 L C 0.671 177.579 176.870 0.063 0.000 0.997 282 L CA -0.896 53.881 54.840 -0.105 0.000 0.818 282 L CB 2.326 44.237 42.059 -0.246 0.000 1.310 282 L HN 0.695 nan 8.230 nan 0.000 0.416 283 G N -0.249 108.507 108.800 -0.074 0.000 2.597 283 G HA2 0.445 4.405 3.960 0.000 0.000 0.317 283 G HA3 0.445 4.405 3.960 0.000 0.000 0.317 283 G C -1.151 173.816 174.900 0.112 0.000 1.230 283 G CA -0.586 44.595 45.100 0.136 0.000 0.996 283 G HN 0.491 nan 8.290 nan 0.000 0.490 284 D N 0.018 120.478 120.400 0.100 0.000 2.525 284 D HA 0.242 4.882 4.640 0.000 0.000 0.235 284 D C -0.160 176.085 176.300 -0.091 0.000 1.137 284 D CA 0.964 54.941 54.000 -0.039 0.000 0.868 284 D CB 0.510 41.233 40.800 -0.128 0.000 1.180 284 D HN 0.388 nan 8.370 nan 0.000 0.465 285 Y N -1.386 118.829 120.300 -0.142 0.000 2.549 285 Y HA 0.644 5.194 4.550 0.000 0.000 0.339 285 Y C -0.828 174.972 175.900 -0.166 0.000 1.053 285 Y CA -1.718 56.316 58.100 -0.109 0.000 1.105 285 Y CB 0.605 39.058 38.460 -0.011 0.000 1.258 285 Y HN 0.246 nan 8.280 nan 0.000 0.478 286 W N 3.190 124.619 121.300 0.215 0.000 2.316 286 W HA 0.526 5.187 4.660 0.000 0.000 0.311 286 W C -2.235 174.441 176.519 0.262 0.000 1.217 286 W CA -1.522 55.910 57.345 0.144 0.000 1.199 286 W CB 0.712 30.242 29.460 0.117 0.000 1.202 286 W HN 0.374 nan 8.180 nan 0.000 0.528 287 P HA 0.127 nan 4.420 nan 0.000 0.288 287 P C 0.544 178.022 177.300 0.297 0.000 1.291 287 P CA -0.335 62.962 63.100 0.327 0.000 0.766 287 P CB 0.365 32.186 31.700 0.202 0.000 1.242 288 G N -0.671 108.273 108.800 0.241 0.000 2.683 288 G HA2 0.043 4.003 3.960 0.000 0.000 0.260 288 G HA3 0.043 4.003 3.960 0.000 0.000 0.260 288 G C 0.486 175.499 174.900 0.188 0.000 1.238 288 G CA 0.120 45.355 45.100 0.226 0.000 0.934 288 G HN 0.541 nan 8.290 nan 0.000 0.534 289 N N -2.193 116.601 118.700 0.157 0.000 2.428 289 N HA 0.049 4.789 4.740 0.000 0.000 0.249 289 N C 0.088 175.663 175.510 0.108 0.000 1.092 289 N CA 0.293 53.416 53.050 0.121 0.000 0.833 289 N CB 0.516 39.056 38.487 0.089 0.000 1.575 289 N HN 0.261 nan 8.380 nan 0.000 0.476 290 K N 0.942 121.410 120.400 0.115 0.000 2.098 290 K HA 0.645 4.965 4.320 0.000 0.000 0.258 290 K C 0.539 177.216 176.600 0.128 0.000 0.973 290 K CA -0.169 56.182 56.287 0.106 0.000 0.898 290 K CB 0.766 33.325 32.500 0.097 0.000 1.057 290 K HN 0.347 nan 8.250 nan 0.000 0.447 291 G N 1.765 110.635 108.800 0.118 0.000 2.710 291 G HA2 -0.153 3.807 3.960 0.000 0.000 0.668 291 G HA3 -0.153 3.807 3.960 0.000 0.000 0.668 291 G C -1.428 173.554 174.900 0.136 0.000 1.320 291 G CA -0.807 44.373 45.100 0.133 0.000 0.860 291 G HN 0.495 nan 8.290 nan 0.000 0.538 292 D N -0.278 120.210 120.400 0.147 0.000 2.277 292 D HA 0.745 5.385 4.640 0.000 0.000 0.250 292 D C 1.311 177.717 176.300 0.176 0.000 1.032 292 D CA 0.447 54.541 54.000 0.155 0.000 0.947 292 D CB 1.615 42.503 40.800 0.147 0.000 1.159 292 D HN 0.841 nan 8.370 nan 0.000 0.460 293 I N -3.390 117.289 120.570 0.181 0.000 3.971 293 I HA 0.647 4.817 4.170 0.000 0.000 0.253 293 I C 0.639 176.851 176.117 0.158 0.000 1.103 293 I CA -1.396 60.009 61.300 0.175 0.000 1.343 293 I CB 0.344 38.435 38.000 0.152 0.000 1.364 293 I HN 0.276 nan 8.210 nan 0.000 0.444 294 G N 1.158 110.033 108.800 0.124 0.000 2.287 294 G HA2 -0.020 3.940 3.960 0.000 0.000 0.235 294 G HA3 -0.020 3.940 3.960 0.000 0.000 0.235 294 G C -0.056 174.893 174.900 0.082 0.000 1.258 294 G CA 0.383 45.517 45.100 0.057 0.000 0.884 294 G HN 0.803 nan 8.290 nan 0.000 0.518 295 N N 1.010 119.683 118.700 -0.045 0.000 2.239 295 N HA 0.033 4.773 4.740 0.000 0.000 0.208 295 N C 1.679 177.062 175.510 -0.213 0.000 1.200 295 N CA -0.047 52.906 53.050 -0.162 0.000 0.895 295 N CB 0.277 38.667 38.487 -0.162 0.000 1.085 295 N HN 0.348 nan 8.380 nan 0.000 0.500 296 I N 0.013 120.468 120.570 -0.191 0.000 2.556 296 I HA 0.147 4.317 4.170 0.000 0.000 0.251 296 I C 2.216 178.225 176.117 -0.180 0.000 1.105 296 I CA 0.552 61.725 61.300 -0.211 0.000 1.436 296 I CB -0.966 36.869 38.000 -0.275 0.000 1.139 296 I HN 0.104 nan 8.210 nan 0.000 0.438 297 R N 2.146 122.539 120.500 -0.179 0.000 2.062 297 R HA 0.054 4.394 4.340 0.000 0.000 0.231 297 R C 0.776 177.014 176.300 -0.104 0.000 1.136 297 R CA 1.351 57.359 56.100 -0.153 0.000 0.948 297 R CB -0.689 29.512 30.300 -0.166 0.000 0.845 297 R HN 0.248 nan 8.270 nan 0.000 0.430 298 I N 2.028 122.577 120.570 -0.036 0.000 2.291 298 I HA 0.253 4.423 4.170 0.000 0.000 0.290 298 I C -0.380 175.833 176.117 0.160 0.000 1.050 298 I CA -0.507 60.834 61.300 0.068 0.000 1.245 298 I CB 0.630 38.722 38.000 0.153 0.000 1.405 298 I HN 0.418 nan 8.210 nan 0.000 0.478 299 N N 4.362 123.123 118.700 0.102 0.000 3.631 299 N HA 0.125 4.865 4.740 0.000 0.000 0.366 299 N C 0.008 175.549 175.510 0.050 0.000 1.369 299 N CA -0.519 52.529 53.050 -0.004 0.000 0.757 299 N CB 0.406 38.781 38.487 -0.187 0.000 2.886 299 N HN 0.535 nan 8.380 nan 0.000 0.480 300 N N -0.844 117.843 118.700 -0.022 0.000 2.946 300 N HA -0.244 4.496 4.740 0.000 0.000 0.223 300 N C -1.125 174.416 175.510 0.051 0.000 0.850 300 N CA 1.319 54.373 53.050 0.007 0.000 1.057 300 N CB -0.891 37.603 38.487 0.011 0.000 1.020 300 N HN 0.701 nan 8.380 nan 0.000 0.616 301 D N -1.751 118.718 120.400 0.114 0.000 3.068 301 D HA -0.172 4.468 4.640 0.000 0.000 0.219 301 D C 0.397 176.766 176.300 0.116 0.000 1.175 301 D CA 1.911 55.992 54.000 0.134 0.000 0.942 301 D CB -1.936 38.911 40.800 0.079 0.000 1.127 301 D HN 0.728 nan 8.370 nan 0.000 0.404 302 T N -2.354 112.275 114.554 0.125 0.000 4.578 302 T HA 0.447 4.798 4.350 0.000 0.000 0.236 302 T C 1.233 176.047 174.700 0.190 0.000 1.038 302 T CA 0.347 62.517 62.100 0.117 0.000 1.067 302 T CB 0.087 69.004 68.868 0.082 0.000 1.390 302 T HN 0.663 nan 8.240 nan 0.000 1.076 303 G N 1.446 110.340 108.800 0.158 0.000 2.276 303 G HA2 -0.076 3.884 3.960 0.000 0.000 0.177 303 G HA3 -0.076 3.884 3.960 0.000 0.000 0.177 303 G C -0.246 174.554 174.900 -0.167 0.000 1.017 303 G CA -0.588 44.599 45.100 0.144 0.000 0.750 303 G HN 0.729 nan 8.290 nan 0.000 0.506 304 N N -1.764 116.892 118.700 -0.073 0.000 2.695 304 N HA -0.191 4.549 4.740 0.000 0.000 0.281 304 N C 0.237 175.634 175.510 -0.188 0.000 1.648 304 N CA 0.990 53.956 53.050 -0.139 0.000 1.250 304 N CB -1.353 37.005 38.487 -0.214 0.000 0.876 304 N HN 0.731 nan 8.380 nan 0.000 0.473 305 Y N 2.009 122.284 120.300 -0.040 0.000 2.200 305 Y HA -0.128 4.422 4.550 0.000 0.000 0.290 305 Y C 1.580 177.490 175.900 0.017 0.000 1.137 305 Y CA 1.818 59.961 58.100 0.072 0.000 1.163 305 Y CB 0.135 38.636 38.460 0.069 0.000 0.988 305 Y HN 0.497 nan 8.280 nan 0.000 0.518 306 D N 0.369 120.670 120.400 -0.167 0.000 2.133 306 D HA -0.211 4.429 4.640 0.000 0.000 0.195 306 D C 2.163 178.305 176.300 -0.263 0.000 0.997 306 D CA 1.499 55.352 54.000 -0.245 0.000 0.840 306 D CB -0.369 40.397 40.800 -0.057 0.000 0.947 306 D HN 0.387 nan 8.370 nan 0.000 0.452 307 R N -0.740 119.605 120.500 -0.258 0.000 2.075 307 R HA -0.138 4.202 4.340 0.000 0.000 0.232 307 R C 2.141 178.326 176.300 -0.191 0.000 1.126 307 R CA 0.866 56.824 56.100 -0.237 0.000 0.963 307 R CB -0.140 29.984 30.300 -0.294 0.000 0.858 307 R HN 0.179 nan 8.270 nan 0.000 0.435 308 Y N 0.222 120.425 120.300 -0.163 0.000 2.114 308 Y HA -0.138 4.413 4.550 0.000 0.000 0.284 308 Y C 2.445 178.219 175.900 -0.208 0.000 1.143 308 Y CA 1.053 59.055 58.100 -0.163 0.000 1.135 308 Y CB -0.990 37.385 38.460 -0.141 0.000 0.980 308 Y HN 0.175 nan 8.280 nan 0.000 0.499 309 A N -0.099 122.596 122.820 -0.210 0.000 1.908 309 A HA -0.278 4.042 4.320 0.000 0.000 0.218 309 A C 2.241 179.771 177.584 -0.090 0.000 1.181 309 A CA 2.057 53.955 52.037 -0.232 0.000 0.627 309 A CB -0.818 17.865 19.000 -0.530 0.000 0.818 309 A HN 0.552 nan 8.150 nan 0.000 0.445 310 E N 0.156 120.300 120.200 -0.094 0.000 2.152 310 E HA -0.142 4.208 4.350 0.000 0.000 0.192 310 E C 2.135 178.748 176.600 0.022 0.000 0.983 310 E CA 1.267 57.652 56.400 -0.024 0.000 0.818 310 E CB -0.101 29.578 29.700 -0.035 0.000 0.758 310 E HN 0.753 nan 8.360 nan 0.000 0.467 311 S N 0.236 115.949 115.700 0.021 0.000 2.402 311 S HA -0.114 4.356 4.470 0.000 0.000 0.229 311 S C 1.982 176.632 174.600 0.084 0.000 1.021 311 S CA 0.820 59.053 58.200 0.055 0.000 0.974 311 S CB -0.377 62.857 63.200 0.057 0.000 0.800 311 S HN 0.313 nan 8.310 nan 0.000 0.484 312 I N 1.349 121.963 120.570 0.073 0.000 2.406 312 I HA -0.049 4.121 4.170 0.000 0.000 0.249 312 I C 2.422 178.630 176.117 0.153 0.000 1.122 312 I CA 1.004 62.375 61.300 0.118 0.000 1.431 312 I CB -0.204 37.852 38.000 0.093 0.000 1.087 312 I HN 0.258 nan 8.210 nan 0.000 0.424 313 K N 0.837 121.312 120.400 0.125 0.000 2.365 313 K HA -0.064 4.256 4.320 0.000 0.000 0.199 313 K C 0.509 177.220 176.600 0.184 0.000 1.045 313 K CA 0.965 57.338 56.287 0.144 0.000 0.962 313 K CB -0.170 32.395 32.500 0.108 0.000 0.759 313 K HN 0.376 nan 8.250 nan 0.000 0.469 314 N N 0.637 119.449 118.700 0.187 0.000 2.401 314 N HA 0.113 4.853 4.740 0.000 0.000 0.264 314 N C -1.202 174.539 175.510 0.384 0.000 1.238 314 N CA -0.229 52.965 53.050 0.241 0.000 0.889 314 N CB 0.550 39.122 38.487 0.142 0.000 1.196 314 N HN -0.010 nan 8.380 nan 0.000 0.511 315 N N 0.646 119.559 118.700 0.355 0.000 2.371 315 N HA 0.159 4.899 4.740 0.000 0.000 0.280 315 N C -0.971 174.497 175.510 -0.069 0.000 1.084 315 N CA -0.575 52.600 53.050 0.209 0.000 0.892 315 N CB 1.730 40.292 38.487 0.125 0.000 1.653 315 N HN -0.017 nan 8.380 nan 0.000 0.480 316 K N 0.958 121.010 120.400 -0.579 0.000 2.559 316 K HA 0.074 4.394 4.320 0.000 0.000 0.279 316 K C 0.308 176.680 176.600 -0.380 0.000 0.967 316 K CA 0.168 56.054 56.287 -0.668 0.000 1.000 316 K CB 0.623 32.618 32.500 -0.841 0.000 0.890 316 K HN 0.380 nan 8.250 nan 0.000 0.501 317 I N 5.193 125.441 120.570 -0.536 0.000 2.363 317 I HA 0.022 4.192 4.170 0.000 0.000 0.292 317 I C -1.479 174.363 176.117 -0.460 0.000 1.075 317 I CA -2.283 58.681 61.300 -0.560 0.000 1.333 317 I CB 0.060 37.549 38.000 -0.851 0.000 1.415 317 I HN 0.408 nan 8.210 nan 0.000 0.502 318 P HA -0.220 nan 4.420 nan 0.000 0.230 318 P C 0.176 177.412 177.300 -0.106 0.000 0.853 318 P CA 1.487 64.519 63.100 -0.113 0.000 1.096 318 P CB 0.181 31.884 31.700 0.006 0.000 0.677 319 D N -1.250 119.078 120.400 -0.120 0.000 3.057 319 D HA 0.064 4.704 4.640 0.000 0.000 0.246 319 D C 0.986 177.173 176.300 -0.187 0.000 1.238 319 D CA 0.362 54.302 54.000 -0.101 0.000 0.949 319 D CB -0.649 40.095 40.800 -0.095 0.000 1.086 319 D HN 0.326 nan 8.370 nan 0.000 0.487 320 T N -3.413 111.062 114.554 -0.131 0.000 3.051 320 T HA -0.089 4.261 4.350 0.000 0.000 0.255 320 T C 1.197 175.968 174.700 0.118 0.000 1.085 320 T CA -0.025 62.055 62.100 -0.035 0.000 1.109 320 T CB -0.167 68.688 68.868 -0.022 0.000 0.921 320 T HN 0.411 nan 8.240 nan 0.000 0.488 321 H N 1.140 120.266 119.070 0.093 0.000 2.790 321 H HA 0.388 4.944 4.556 0.000 0.000 0.358 321 H C -0.431 175.027 175.328 0.215 0.000 1.103 321 H CA -0.267 55.862 56.048 0.134 0.000 1.426 321 H CB 0.162 29.986 29.762 0.103 0.000 1.424 321 H HN 0.573 nan 8.280 nan 0.000 0.599 322 Y N 0.152 120.489 120.300 0.063 0.000 2.741 322 Y HA 0.503 5.053 4.550 0.000 0.000 0.339 322 Y C -1.802 174.111 175.900 0.022 0.000 1.226 322 Y CA -1.461 56.623 58.100 -0.028 0.000 1.072 322 Y CB 1.101 39.482 38.460 -0.132 0.000 1.331 322 Y HN 0.880 nan 8.280 nan 0.000 0.453 323 R N 2.918 123.431 120.500 0.023 0.000 2.686 323 R HA 0.858 5.199 4.340 0.000 0.000 0.283 323 R C -1.434 174.747 176.300 -0.199 0.000 0.978 323 R CA -1.079 54.883 56.100 -0.228 0.000 0.897 323 R CB 2.625 32.891 30.300 -0.056 0.000 1.192 323 R HN 0.998 nan 8.270 nan 0.000 0.457 324 M N 0.665 119.983 119.600 -0.469 0.000 2.322 324 M HA 0.474 4.954 4.480 0.000 0.000 0.286 324 M C -1.775 174.219 176.300 -0.510 0.000 1.111 324 M CA -0.785 54.312 55.300 -0.338 0.000 0.941 324 M CB 2.607 35.186 32.600 -0.035 0.000 1.671 324 M HN 0.629 nan 8.290 nan 0.000 0.470 325 H N 1.777 120.816 119.070 -0.052 0.000 2.481 325 H HA 0.646 5.202 4.556 0.000 0.000 0.333 325 H C -1.057 174.259 175.328 -0.020 0.000 1.066 325 H CA -0.820 55.212 56.048 -0.026 0.000 1.209 325 H CB 1.823 31.592 29.762 0.011 0.000 1.445 325 H HN 0.809 nan 8.280 nan 0.000 0.488 326 S N 3.374 119.121 115.700 0.078 0.000 2.566 326 S HA 0.634 5.104 4.470 0.000 0.000 0.298 326 S C -0.202 174.430 174.600 0.053 0.000 1.083 326 S CA -1.093 57.129 58.200 0.037 0.000 0.978 326 S CB 2.227 65.423 63.200 -0.006 0.000 1.073 326 S HN 0.673 nan 8.310 nan 0.000 0.491 327 R N 1.089 121.614 120.500 0.042 0.000 2.535 327 R HA 0.646 4.986 4.340 0.000 0.000 0.274 327 R C -2.077 174.257 176.300 0.056 0.000 1.090 327 R CA -0.848 55.288 56.100 0.060 0.000 0.930 327 R CB 0.839 31.192 30.300 0.088 0.000 1.223 327 R HN 0.456 nan 8.270 nan 0.000 0.441 328 L N 1.612 122.865 121.223 0.049 0.000 2.333 328 L HA 0.914 5.254 4.340 0.000 0.000 0.269 328 L C -1.246 175.670 176.870 0.076 0.000 1.010 328 L CA -0.478 54.391 54.840 0.048 0.000 0.818 328 L CB 2.212 44.280 42.059 0.016 0.000 1.306 328 L HN 0.980 nan 8.230 nan 0.000 0.430 329 A N 3.614 126.495 122.820 0.102 0.000 2.456 329 A HA 0.708 5.028 4.320 0.000 0.000 0.288 329 A C -1.349 176.281 177.584 0.077 0.000 1.042 329 A CA -0.694 51.396 52.037 0.087 0.000 0.738 329 A CB 0.939 20.008 19.000 0.115 0.000 1.266 329 A HN 0.603 nan 8.150 nan 0.000 0.407 330 K N 1.511 121.926 120.400 0.025 0.000 2.426 330 K HA 0.647 4.967 4.320 0.000 0.000 0.254 330 K C -1.342 175.219 176.600 -0.066 0.000 0.936 330 K CA -0.701 55.587 56.287 0.003 0.000 0.801 330 K CB 2.739 35.236 32.500 -0.005 0.000 1.139 330 K HN 0.372 nan 8.250 nan 0.000 0.424 331 V N 1.845 121.696 119.914 -0.106 0.000 2.444 331 V HA 0.577 4.697 4.120 0.000 0.000 0.294 331 V C 0.073 175.895 176.094 -0.453 0.000 1.022 331 V CA -0.744 61.364 62.300 -0.320 0.000 0.850 331 V CB 1.722 33.322 31.823 -0.371 0.000 0.992 331 V HN 0.937 nan 8.190 nan 0.000 0.426 332 G N 3.883 112.374 108.800 -0.515 0.000 2.495 332 G HA2 0.652 4.612 3.960 0.000 0.000 0.318 332 G HA3 0.652 4.612 3.960 0.000 0.000 0.318 332 G C -1.407 173.228 174.900 -0.442 0.000 1.257 332 G CA -0.476 44.425 45.100 -0.331 0.000 0.962 332 G HN 0.538 nan 8.290 nan 0.000 0.483 333 W N 1.367 122.690 121.300 0.038 0.000 2.587 333 W HA 0.334 4.994 4.660 0.000 0.000 0.324 333 W C -0.715 175.823 176.519 0.032 0.000 1.040 333 W CA -0.945 56.426 57.345 0.043 0.000 1.222 333 W CB 2.182 31.682 29.460 0.066 0.000 1.381 333 W HN 0.301 nan 8.180 nan 0.000 0.483 334 N N 3.394 122.217 118.700 0.206 0.000 2.457 334 N HA 0.351 5.091 4.740 0.000 0.000 0.250 334 N C -0.585 175.004 175.510 0.131 0.000 0.982 334 N CA -0.357 52.767 53.050 0.125 0.000 0.941 334 N CB 1.436 39.960 38.487 0.061 0.000 1.120 334 N HN 0.066 nan 8.380 nan 0.000 0.505 335 L N 3.117 124.412 121.223 0.121 0.000 2.358 335 L HA 0.608 4.948 4.340 0.000 0.000 0.268 335 L C -1.689 175.222 176.870 0.068 0.000 1.032 335 L CA -1.928 52.975 54.840 0.105 0.000 0.805 335 L CB 0.256 42.392 42.059 0.128 0.000 1.253 335 L HN 0.338 nan 8.230 nan 0.000 0.452 336 P HA 0.183 nan 4.420 nan 0.000 0.272 336 P C 0.144 177.461 177.300 0.029 0.000 1.243 336 P CA 0.927 64.050 63.100 0.039 0.000 0.803 336 P CB 0.318 32.041 31.700 0.039 0.000 0.974 337 A N 0.426 123.255 122.820 0.015 0.000 5.002 337 A HA -0.287 4.033 4.320 0.000 0.000 0.326 337 A C 0.802 178.377 177.584 -0.015 0.000 1.875 337 A CA 1.838 53.874 52.037 -0.002 0.000 0.708 337 A CB -2.108 16.891 19.000 -0.001 0.000 1.371 337 A HN 0.618 nan 8.150 nan 0.000 0.378 338 N N 0.245 118.930 118.700 -0.026 0.000 2.635 338 N HA 0.294 5.034 4.740 0.000 0.000 0.252 338 N C -0.943 174.524 175.510 -0.071 0.000 1.589 338 N CA 0.407 53.430 53.050 -0.045 0.000 0.828 338 N CB 0.298 38.747 38.487 -0.063 0.000 1.403 338 N HN 0.670 nan 8.380 nan 0.000 0.518 339 Q N 0.373 120.150 119.800 -0.038 0.000 2.214 339 Q HA 0.540 4.880 4.340 0.000 0.000 0.251 339 Q C -0.474 175.504 176.000 -0.037 0.000 0.936 339 Q CA -0.711 55.051 55.803 -0.068 0.000 0.894 339 Q CB 2.083 30.865 28.738 0.074 0.000 1.252 339 Q HN 0.007 nan 8.270 nan 0.000 0.448 340 R N 2.067 122.512 120.500 -0.092 0.000 2.569 340 R HA 0.297 4.637 4.340 0.000 0.000 0.293 340 R C -1.888 174.452 176.300 0.066 0.000 1.186 340 R CA -0.435 55.661 56.100 -0.005 0.000 0.956 340 R CB 0.856 31.112 30.300 -0.074 0.000 1.196 340 R HN 0.557 nan 8.270 nan 0.000 0.444 341 L N 3.200 124.562 121.223 0.231 0.000 2.292 341 L HA 0.500 4.840 4.340 0.000 0.000 0.284 341 L C 0.133 177.179 176.870 0.294 0.000 1.065 341 L CA 0.015 55.016 54.840 0.268 0.000 0.806 341 L CB 1.413 43.712 42.059 0.401 0.000 1.175 341 L HN 0.564 nan 8.230 nan 0.000 0.431 342 Q N 3.734 123.595 119.800 0.103 0.000 2.263 342 Q HA 0.471 4.811 4.340 0.000 0.000 0.266 342 Q C -1.689 174.401 176.000 0.150 0.000 1.002 342 Q CA -0.541 55.327 55.803 0.109 0.000 0.790 342 Q CB 2.244 30.985 28.738 0.005 0.000 1.272 342 Q HN 0.560 nan 8.270 nan 0.000 0.435 343 L N 2.785 124.164 121.223 0.259 0.000 2.289 343 L HA 0.581 4.921 4.340 0.000 0.000 0.285 343 L C -0.294 176.682 176.870 0.177 0.000 1.049 343 L CA -0.445 54.568 54.840 0.288 0.000 0.804 343 L CB 1.649 43.934 42.059 0.377 0.000 1.195 343 L HN 0.656 nan 8.230 nan 0.000 0.428 344 S N 2.323 118.136 115.700 0.188 0.000 2.547 344 S HA 0.592 5.062 4.470 0.000 0.000 0.281 344 S C -1.300 173.433 174.600 0.222 0.000 1.118 344 S CA -0.760 57.532 58.200 0.152 0.000 0.947 344 S CB 1.805 65.055 63.200 0.084 0.000 1.053 344 S HN 0.479 nan 8.310 nan 0.000 0.482 345 Y N 2.818 123.155 120.300 0.062 0.000 2.346 345 Y HA 0.687 5.237 4.550 0.000 0.000 0.332 345 Y C -1.739 174.184 175.900 0.038 0.000 0.985 345 Y CA -1.131 57.006 58.100 0.062 0.000 1.112 345 Y CB 1.501 40.001 38.460 0.067 0.000 1.170 345 Y HN 0.884 nan 8.280 nan 0.000 0.447 346 L N 6.613 127.543 121.223 -0.487 0.000 2.325 346 L HA 0.549 4.889 4.340 0.000 0.000 0.281 346 L C -1.283 175.250 176.870 -0.562 0.000 1.004 346 L CA -0.311 54.305 54.840 -0.373 0.000 0.823 346 L CB 1.701 43.638 42.059 -0.203 0.000 1.236 346 L HN 0.763 nan 8.230 nan 0.000 0.415 347 Q N 3.016 122.601 119.800 -0.359 0.000 2.333 347 Q HA 0.603 4.943 4.340 0.000 0.000 0.267 347 Q C -1.366 174.576 176.000 -0.097 0.000 1.012 347 Q CA -0.484 55.184 55.803 -0.225 0.000 0.824 347 Q CB 1.774 30.504 28.738 -0.013 0.000 1.290 347 Q HN 0.713 nan 8.270 nan 0.000 0.449 348 T N 2.908 117.402 114.554 -0.101 0.000 3.050 348 T HA 0.239 4.589 4.350 0.000 0.000 0.310 348 T C -1.501 173.145 174.700 -0.091 0.000 0.978 348 T CA -0.487 61.569 62.100 -0.073 0.000 1.013 348 T CB 1.331 70.147 68.868 -0.086 0.000 1.000 348 T HN 0.708 nan 8.240 nan 0.000 0.447 349 Q N 3.638 123.421 119.800 -0.029 0.000 2.307 349 Q HA 0.621 4.961 4.340 0.000 0.000 0.262 349 Q C -1.068 174.911 176.000 -0.035 0.000 0.961 349 Q CA -0.469 55.313 55.803 -0.035 0.000 0.882 349 Q CB 1.275 30.050 28.738 0.061 0.000 1.264 349 Q HN 0.675 nan 8.270 nan 0.000 0.446 350 T N 2.043 116.502 114.554 -0.159 0.000 2.876 350 T HA 0.804 5.154 4.350 0.000 0.000 0.289 350 T C -1.433 173.204 174.700 -0.105 0.000 1.014 350 T CA -0.588 61.427 62.100 -0.141 0.000 0.986 350 T CB 1.648 70.352 68.868 -0.274 0.000 1.021 350 T HN 0.663 nan 8.240 nan 0.000 0.458 351 A N 1.854 124.675 122.820 0.001 0.000 2.427 351 A HA 0.871 5.191 4.320 0.000 0.000 0.298 351 A C -0.499 177.047 177.584 -0.064 0.000 1.036 351 A CA -0.742 51.304 52.037 0.015 0.000 0.701 351 A CB 1.724 20.845 19.000 0.202 0.000 1.250 351 A HN 0.764 nan 8.150 nan 0.000 0.412 352 S N 2.142 117.610 115.700 -0.388 0.000 2.547 352 S HA 0.798 5.268 4.470 0.000 0.000 0.270 352 S C -3.329 170.678 174.600 -0.987 0.000 1.150 352 S CA -0.973 56.908 58.200 -0.532 0.000 0.850 352 S CB 1.826 64.854 63.200 -0.287 0.000 1.118 352 S HN 0.359 nan 8.310 nan 0.000 0.461 353 P HA 0.405 nan 4.420 nan 0.000 0.275 353 P C -0.918 176.212 177.300 -0.284 0.000 1.228 353 P CA -0.281 62.519 63.100 -0.500 0.000 0.786 353 P CB 0.244 31.869 31.700 -0.125 0.000 0.927 354 I N 1.517 121.993 120.570 -0.157 0.000 2.325 354 I HA 0.435 4.605 4.170 0.000 0.000 0.291 354 I C 0.524 176.628 176.117 -0.022 0.000 1.019 354 I CA -0.576 60.664 61.300 -0.099 0.000 1.302 354 I CB 0.953 38.896 38.000 -0.095 0.000 1.401 354 I HN 0.275 nan 8.210 nan 0.000 0.485 355 A N 5.194 127.998 122.820 -0.026 0.000 2.292 355 A HA 0.733 5.053 4.320 0.000 0.000 0.319 355 A C 0.434 178.072 177.584 0.091 0.000 1.206 355 A CA -0.426 51.628 52.037 0.029 0.000 0.835 355 A CB 0.852 19.820 19.000 -0.054 0.000 1.164 355 A HN 0.814 nan 8.150 nan 0.000 0.505 356 G N 0.349 109.235 108.800 0.145 0.000 2.684 356 G HA2 0.408 4.368 3.960 0.000 0.000 0.255 356 G HA3 0.408 4.368 3.960 0.000 0.000 0.255 356 G C 0.553 175.579 174.900 0.211 0.000 1.219 356 G CA 0.475 45.667 45.100 0.153 0.000 0.901 356 G HN 0.908 nan 8.290 nan 0.000 0.548 357 T N -1.039 113.586 114.554 0.117 0.000 2.795 357 T HA 0.097 4.447 4.350 0.000 0.000 0.314 357 T C 0.517 175.223 174.700 0.011 0.000 1.069 357 T CA -0.521 61.618 62.100 0.065 0.000 1.071 357 T CB 0.203 69.013 68.868 -0.096 0.000 0.988 357 T HN 0.442 nan 8.240 nan 0.000 0.543 358 L N 4.429 125.598 121.223 -0.089 0.000 2.600 358 L HA 0.402 4.742 4.340 0.000 0.000 0.278 358 L C 0.375 176.991 176.870 -0.423 0.000 1.139 358 L CA 0.956 55.474 54.840 -0.537 0.000 0.933 358 L CB -0.482 41.291 42.059 -0.477 0.000 1.266 358 L HN 0.802 nan 8.230 nan 0.000 0.471 359 T N 3.035 117.336 114.554 -0.422 0.000 2.838 359 T HA 0.475 4.825 4.350 0.000 0.000 0.292 359 T C -0.744 173.757 174.700 -0.332 0.000 1.113 359 T CA -0.902 61.004 62.100 -0.324 0.000 1.008 359 T CB 0.882 69.621 68.868 -0.215 0.000 1.259 359 T HN 0.688 nan 8.240 nan 0.000 0.520 360 N N 2.846 121.357 118.700 -0.315 0.000 2.497 360 N HA 0.175 4.915 4.740 0.000 0.000 0.268 360 N C 0.992 176.437 175.510 -0.109 0.000 1.171 360 N CA -0.241 52.649 53.050 -0.268 0.000 0.948 360 N CB 0.367 38.555 38.487 -0.497 0.000 1.069 360 N HN 0.588 nan 8.380 nan 0.000 0.460 361 L N 0.791 122.006 121.223 -0.012 0.000 2.145 361 L HA 0.190 4.530 4.340 0.000 0.000 0.201 361 L C 1.637 178.574 176.870 0.113 0.000 1.075 361 L CA 0.472 55.332 54.840 0.033 0.000 0.773 361 L CB -0.780 41.293 42.059 0.024 0.000 0.936 361 L HN 0.658 nan 8.230 nan 0.000 0.451 362 G N -0.798 108.125 108.800 0.206 0.000 2.690 362 G HA2 0.054 4.014 3.960 0.000 0.000 0.239 362 G HA3 0.054 4.014 3.960 0.000 0.000 0.239 362 G C 0.755 175.824 174.900 0.283 0.000 1.233 362 G CA 0.328 45.543 45.100 0.190 0.000 0.847 362 G HN 0.078 nan 8.290 nan 0.000 0.588 363 T N -0.999 113.626 114.554 0.119 0.000 3.037 363 T HA 0.196 4.546 4.350 0.000 0.000 0.251 363 T C 0.714 175.450 174.700 0.059 0.000 1.079 363 T CA 0.429 62.617 62.100 0.147 0.000 1.067 363 T CB -0.094 68.813 68.868 0.065 0.000 0.948 363 T HN 0.757 nan 8.240 nan 0.000 0.496 364 R N 0.568 120.916 120.500 -0.253 0.000 2.668 364 R HA 0.677 5.017 4.340 0.000 0.000 0.272 364 R C -3.410 172.413 176.300 -0.795 0.000 1.019 364 R CA -2.292 53.538 56.100 -0.450 0.000 0.894 364 R CB -0.565 29.625 30.300 -0.184 0.000 1.228 364 R HN -0.140 nan 8.270 nan 0.000 0.460 365 P HA 0.171 nan 4.420 nan 0.000 0.266 365 P C -2.227 174.913 177.300 -0.267 0.000 1.195 365 P CA -0.726 62.058 63.100 -0.527 0.000 0.768 365 P CB -0.121 31.451 31.700 -0.213 0.000 0.838 366 P HA 0.183 nan 4.420 nan 0.000 0.276 366 P C -0.611 176.614 177.300 -0.126 0.000 1.235 366 P CA 0.009 63.038 63.100 -0.118 0.000 0.772 366 P CB 0.239 31.904 31.700 -0.058 0.000 0.871 367 Y N 0.848 121.199 120.300 0.085 0.000 2.230 367 Y HA 0.383 4.933 4.550 0.000 0.000 0.354 367 Y C 1.079 177.064 175.900 0.142 0.000 1.343 367 Y CA 0.190 58.350 58.100 0.101 0.000 1.693 367 Y CB 0.554 39.079 38.460 0.107 0.000 1.553 367 Y HN 0.307 nan 8.280 nan 0.000 0.599 368 E N 0.710 121.096 120.200 0.310 0.000 2.361 368 E HA 0.294 4.644 4.350 0.000 0.000 0.270 368 E C -2.146 174.486 176.600 0.054 0.000 0.911 368 E CA -0.551 55.965 56.400 0.193 0.000 0.818 368 E CB 0.706 30.471 29.700 0.107 0.000 1.332 368 E HN 0.434 nan 8.360 nan 0.000 0.402 369 L N 4.214 125.433 121.223 -0.006 0.000 2.361 369 L HA 0.743 5.083 4.340 0.000 0.000 0.278 369 L C 0.400 177.084 176.870 -0.311 0.000 1.113 369 L CA 1.091 55.748 54.840 -0.304 0.000 0.849 369 L CB 0.465 42.191 42.059 -0.555 0.000 1.155 369 L HN 0.661 nan 8.230 nan 0.000 0.452 370 G N 3.624 112.159 108.800 -0.441 0.000 2.588 370 G HA2 0.297 4.257 3.960 0.000 0.000 0.281 370 G HA3 0.297 4.257 3.960 0.000 0.000 0.281 370 G C -1.909 172.611 174.900 -0.633 0.000 1.223 370 G CA -0.603 44.196 45.100 -0.502 0.000 0.871 370 G HN 0.410 nan 8.290 nan 0.000 0.492 371 W N 0.904 122.175 121.300 -0.048 0.000 2.844 371 W HA 0.597 5.257 4.660 0.000 0.000 0.340 371 W C -0.401 176.105 176.519 -0.021 0.000 1.093 371 W CA -0.610 56.708 57.345 -0.044 0.000 1.212 371 W CB 2.310 31.739 29.460 -0.053 0.000 1.422 371 W HN 0.355 nan 8.180 nan 0.000 0.515 372 K N 1.094 121.616 120.400 0.203 0.000 2.185 372 K HA 0.537 4.857 4.320 0.000 0.000 0.240 372 K C -0.232 176.460 176.600 0.153 0.000 0.983 372 K CA -1.154 55.216 56.287 0.139 0.000 0.873 372 K CB 2.272 34.826 32.500 0.090 0.000 1.118 372 K HN 0.244 nan 8.250 nan 0.000 0.441 373 R N 1.268 121.856 120.500 0.147 0.000 2.198 373 R HA 0.074 4.414 4.340 0.000 0.000 0.339 373 R C 0.436 176.880 176.300 0.240 0.000 1.020 373 R CA -0.071 56.140 56.100 0.186 0.000 0.864 373 R CB 0.531 30.962 30.300 0.218 0.000 1.105 373 R HN 0.869 nan 8.270 nan 0.000 0.463 374 T N 0.195 114.850 114.554 0.168 0.000 3.057 374 T HA 0.315 4.665 4.350 0.000 0.000 0.254 374 T C 0.823 175.505 174.700 -0.030 0.000 1.094 374 T CA 0.418 62.588 62.100 0.115 0.000 1.088 374 T CB 0.541 69.442 68.868 0.054 0.000 0.934 374 T HN 0.621 nan 8.240 nan 0.000 0.497 375 G N -0.584 108.138 108.800 -0.130 0.000 2.348 375 G HA2 0.467 4.427 3.960 0.000 0.000 0.296 375 G HA3 0.467 4.427 3.960 0.000 0.000 0.296 375 G C -2.401 172.346 174.900 -0.254 0.000 1.258 375 G CA -0.955 43.741 45.100 -0.673 0.000 0.868 375 G HN 0.213 nan 8.290 nan 0.000 0.488 376 Y N -0.322 119.748 120.300 -0.382 0.000 2.504 376 Y HA 0.657 5.207 4.550 0.000 0.000 0.344 376 Y C -0.545 175.286 175.900 -0.114 0.000 1.023 376 Y CA -0.423 57.598 58.100 -0.132 0.000 1.020 376 Y CB 2.651 41.105 38.460 -0.011 0.000 1.282 376 Y HN 0.611 nan 8.280 nan 0.000 0.454 377 T N 4.379 118.790 114.554 -0.240 0.000 2.807 377 T HA 0.285 4.635 4.350 0.000 0.000 0.279 377 T C -1.850 172.807 174.700 -0.072 0.000 0.993 377 T CA -0.578 61.448 62.100 -0.124 0.000 0.970 377 T CB 1.012 69.785 68.868 -0.158 0.000 0.950 377 T HN 0.457 nan 8.240 nan 0.000 0.441 378 D N 2.448 122.839 120.400 -0.015 0.000 2.593 378 D HA 0.522 5.162 4.640 0.000 0.000 0.251 378 D C -1.170 175.054 176.300 -0.126 0.000 1.140 378 D CA -0.333 53.654 54.000 -0.022 0.000 0.855 378 D CB 1.604 42.443 40.800 0.065 0.000 1.267 378 D HN 0.220 nan 8.370 nan 0.000 0.532 379 V N 4.245 124.012 119.914 -0.244 0.000 2.656 379 V HA 0.525 4.645 4.120 0.000 0.000 0.307 379 V C -0.154 175.739 176.094 -0.335 0.000 1.051 379 V CA -0.729 61.333 62.300 -0.396 0.000 0.893 379 V CB 1.984 33.315 31.823 -0.820 0.000 0.999 379 V HN 0.557 nan 8.190 nan 0.000 0.426 380 M N 3.790 123.224 119.600 -0.278 0.000 2.134 380 M HA 0.629 5.109 4.480 0.000 0.000 0.310 380 M C -0.415 175.755 176.300 -0.217 0.000 0.966 380 M CA -0.392 54.792 55.300 -0.193 0.000 0.922 380 M CB 1.546 34.091 32.600 -0.092 0.000 1.537 380 M HN 0.779 nan 8.290 nan 0.000 0.424 381 A N 5.587 128.279 122.820 -0.213 0.000 2.293 381 A HA 0.721 5.041 4.320 0.000 0.000 0.312 381 A C -0.377 177.106 177.584 -0.167 0.000 1.309 381 A CA -0.668 51.250 52.037 -0.198 0.000 0.839 381 A CB 0.698 19.579 19.000 -0.199 0.000 1.155 381 A HN 0.842 nan 8.150 nan 0.000 0.501 382 R N 2.347 122.765 120.500 -0.138 0.000 2.407 382 R HA 0.490 4.830 4.340 0.000 0.000 0.303 382 R C -1.007 175.188 176.300 -0.175 0.000 0.981 382 R CA -0.614 55.392 56.100 -0.156 0.000 0.905 382 R CB 1.348 31.683 30.300 0.059 0.000 1.099 382 R HN 0.711 nan 8.270 nan 0.000 0.459 383 N N 1.112 119.630 118.700 -0.303 0.000 2.480 383 N HA 0.369 5.110 4.740 0.000 0.000 0.289 383 N C -1.562 173.917 175.510 -0.053 0.000 1.073 383 N CA -0.438 52.522 53.050 -0.150 0.000 0.885 383 N CB 2.355 40.742 38.487 -0.167 0.000 1.421 383 N HN 0.602 nan 8.380 nan 0.000 0.503 384 A N 1.265 124.203 122.820 0.195 0.000 2.355 384 A HA 0.915 5.235 4.320 0.000 0.000 0.317 384 A C -0.926 176.844 177.584 0.309 0.000 1.094 384 A CA -0.611 51.620 52.037 0.323 0.000 0.764 384 A CB 1.328 20.583 19.000 0.424 0.000 1.230 384 A HN 0.640 nan 8.150 nan 0.000 0.448 385 A N 1.300 124.292 122.820 0.286 0.000 2.486 385 A HA 0.720 5.040 4.320 0.000 0.000 0.300 385 A C -1.480 176.304 177.584 0.333 0.000 1.048 385 A CA -0.387 51.830 52.037 0.300 0.000 0.696 385 A CB 0.992 20.105 19.000 0.188 0.000 1.278 385 A HN 1.643 nan 8.150 nan 0.000 0.405 386 F N 2.667 122.738 119.950 0.202 0.000 2.382 386 F HA 0.543 5.070 4.527 0.000 0.000 0.361 386 F C -1.029 174.881 175.800 0.185 0.000 1.109 386 F CA -0.597 57.516 58.000 0.187 0.000 1.031 386 F CB 1.059 40.160 39.000 0.168 0.000 1.234 386 F HN 0.516 nan 8.300 nan 0.000 0.445 387 D N 4.805 124.989 120.400 -0.361 0.000 2.181 387 D HA 0.266 4.906 4.640 0.000 0.000 0.248 387 D C -1.641 174.415 176.300 -0.407 0.000 1.020 387 D CA 0.097 53.925 54.000 -0.286 0.000 0.891 387 D CB 2.160 42.884 40.800 -0.127 0.000 1.187 387 D HN 0.595 nan 8.370 nan 0.000 0.443 388 Y N 0.375 120.465 120.300 -0.350 0.000 2.479 388 Y HA 0.374 4.924 4.550 0.000 0.000 0.338 388 Y C -1.300 174.510 175.900 -0.150 0.000 1.055 388 Y CA -0.733 57.227 58.100 -0.233 0.000 1.023 388 Y CB 1.555 39.929 38.460 -0.144 0.000 1.287 388 Y HN 0.319 nan 8.280 nan 0.000 0.447 389 S N 6.053 121.244 115.700 -0.849 0.000 2.541 389 S HA 0.769 5.239 4.470 0.000 0.000 0.280 389 S C -2.236 171.921 174.600 -0.739 0.000 1.112 389 S CA -0.774 57.036 58.200 -0.649 0.000 0.925 389 S CB 1.979 64.972 63.200 -0.344 0.000 1.067 389 S HN 0.884 nan 8.310 nan 0.000 0.479 390 L N 2.465 123.455 121.223 -0.387 0.000 2.485 390 L HA 0.817 5.157 4.340 0.000 0.000 0.260 390 L C -0.594 176.217 176.870 -0.099 0.000 0.998 390 L CA -0.148 54.578 54.840 -0.190 0.000 0.883 390 L CB 1.181 43.245 42.059 0.008 0.000 1.196 390 L HN 1.091 nan 8.230 nan 0.000 0.443 391 A N 5.644 128.392 122.820 -0.119 0.000 3.317 391 A HA 0.727 5.047 4.320 0.000 0.000 0.307 391 A C -2.686 174.832 177.584 -0.110 0.000 1.003 391 A CA -1.064 50.904 52.037 -0.114 0.000 0.882 391 A CB -0.260 18.675 19.000 -0.108 0.000 1.136 391 A HN 0.507 nan 8.150 nan 0.000 0.488 392 P HA 0.112 nan 4.420 nan 0.000 0.266 392 P C 0.136 177.376 177.300 -0.100 0.000 1.195 392 P CA 0.257 63.296 63.100 -0.102 0.000 0.768 392 P CB 0.502 32.131 31.700 -0.119 0.000 0.838 393 E N 1.998 122.158 120.200 -0.066 0.000 2.398 393 E HA 0.002 4.352 4.350 0.000 0.000 0.263 393 E C -0.298 176.273 176.600 -0.048 0.000 1.046 393 E CA -0.341 56.028 56.400 -0.051 0.000 0.908 393 E CB -0.082 29.599 29.700 -0.032 0.000 0.963 393 E HN 0.324 nan 8.360 nan 0.000 0.431 394 D N 0.158 120.537 120.400 -0.034 0.000 2.653 394 D HA -0.160 4.480 4.640 0.000 0.000 0.184 394 D C -0.395 175.888 176.300 -0.029 0.000 0.993 394 D CA 1.328 55.321 54.000 -0.013 0.000 1.027 394 D CB -1.246 39.556 40.800 0.002 0.000 1.089 394 D HN 0.313 nan 8.370 nan 0.000 0.447 395 V N 2.241 122.088 119.914 -0.110 0.000 2.284 395 V HA 0.156 4.276 4.120 0.000 0.000 0.260 395 V C 0.979 176.908 176.094 -0.276 0.000 1.084 395 V CA -0.268 61.875 62.300 -0.262 0.000 0.894 395 V CB 1.313 32.866 31.823 -0.450 0.000 1.119 395 V HN -0.037 nan 8.190 nan 0.000 0.484 396 D N 3.533 123.880 120.400 -0.087 0.000 2.144 396 D HA -0.137 4.503 4.640 0.000 0.000 0.200 396 D C 1.939 178.294 176.300 0.091 0.000 0.978 396 D CA 1.160 55.183 54.000 0.039 0.000 0.833 396 D CB 0.054 40.954 40.800 0.167 0.000 0.961 396 D HN 0.840 nan 8.370 nan 0.000 0.470 397 W N 0.647 122.026 121.300 0.132 0.000 2.961 397 W HA 0.169 4.829 4.660 0.000 0.000 0.240 397 W C -0.125 176.474 176.519 0.133 0.000 1.305 397 W CA -0.388 57.048 57.345 0.153 0.000 1.465 397 W CB -0.473 29.052 29.460 0.109 0.000 1.135 397 W HN -0.117 nan 8.180 nan 0.000 0.688 398 L N 3.075 124.064 121.223 -0.390 0.000 2.316 398 L HA 0.392 4.732 4.340 0.000 0.000 0.280 398 L C -1.424 175.351 176.870 -0.159 0.000 1.006 398 L CA -0.237 54.386 54.840 -0.361 0.000 0.836 398 L CB 1.272 42.851 42.059 -0.800 0.000 1.221 398 L HN -0.109 nan 8.230 nan 0.000 0.418 399 D N 4.518 124.902 120.400 -0.026 0.000 2.823 399 D HA 0.122 4.762 4.640 0.000 0.000 0.255 399 D C -1.402 174.917 176.300 0.031 0.000 1.257 399 D CA -0.211 53.775 54.000 -0.024 0.000 0.803 399 D CB 0.124 40.904 40.800 -0.034 0.000 1.384 399 D HN 0.202 nan 8.370 nan 0.000 0.541 400 F N 2.288 122.178 119.950 -0.100 0.000 2.375 400 F HA 0.499 5.026 4.527 0.000 0.000 0.333 400 F C -0.270 175.478 175.800 -0.086 0.000 1.104 400 F CA -0.027 57.934 58.000 -0.064 0.000 1.149 400 F CB 0.940 39.941 39.000 0.002 0.000 1.190 400 F HN 0.208 nan 8.300 nan 0.000 0.533 401 Q N 4.536 123.766 119.800 -0.950 0.000 2.281 401 Q HA 0.752 5.092 4.340 0.000 0.000 0.263 401 Q C -2.112 173.410 176.000 -0.797 0.000 0.989 401 Q CA -1.182 54.189 55.803 -0.720 0.000 0.852 401 Q CB 1.561 30.087 28.738 -0.355 0.000 1.337 401 Q HN 0.832 nan 8.270 nan 0.000 0.418 402 A N 2.355 124.889 122.820 -0.478 0.000 2.384 402 A HA 0.928 5.248 4.320 0.000 0.000 0.312 402 A C -1.270 176.323 177.584 0.014 0.000 1.113 402 A CA -0.759 51.182 52.037 -0.161 0.000 0.779 402 A CB 2.114 21.170 19.000 0.094 0.000 1.307 402 A HN 0.724 nan 8.150 nan 0.000 0.436 403 K N 0.883 121.364 120.400 0.136 0.000 2.571 403 K HA 0.569 4.889 4.320 0.000 0.000 0.252 403 K C -2.345 174.460 176.600 0.342 0.000 0.956 403 K CA -0.484 55.930 56.287 0.212 0.000 0.822 403 K CB 1.121 33.721 32.500 0.167 0.000 1.286 403 K HN 0.449 nan 8.250 nan 0.000 0.439 404 L N 5.166 126.633 121.223 0.405 0.000 2.341 404 L HA 0.593 4.933 4.340 0.000 0.000 0.278 404 L C -1.098 176.021 176.870 0.415 0.000 1.005 404 L CA -0.518 54.541 54.840 0.365 0.000 0.818 404 L CB 1.198 43.457 42.059 0.333 0.000 1.259 404 L HN 0.646 nan 8.230 nan 0.000 0.418 405 Y N 1.699 122.140 120.300 0.235 0.000 2.571 405 Y HA 0.712 5.262 4.550 0.000 0.000 0.341 405 Y C -1.754 174.278 175.900 0.220 0.000 1.076 405 Y CA -1.583 56.639 58.100 0.205 0.000 1.029 405 Y CB 1.393 39.931 38.460 0.129 0.000 1.308 405 Y HN 0.521 nan 8.280 nan 0.000 0.461 406 Y N 2.206 122.609 120.300 0.171 0.000 2.391 406 Y HA 0.759 5.309 4.550 0.000 0.000 0.341 406 Y C -1.909 174.024 175.900 0.056 0.000 0.965 406 Y CA -1.162 56.936 58.100 -0.004 0.000 1.067 406 Y CB 2.057 40.499 38.460 -0.030 0.000 1.199 406 Y HN 0.691 nan 8.280 nan 0.000 0.450 407 V N 5.765 125.289 119.914 -0.651 0.000 2.409 407 V HA 0.260 4.380 4.120 0.000 0.000 0.290 407 V C -1.272 174.415 176.094 -0.678 0.000 1.017 407 V CA -0.672 61.357 62.300 -0.452 0.000 0.841 407 V CB 1.433 33.162 31.823 -0.156 0.000 1.003 407 V HN 0.739 nan 8.190 nan 0.000 0.426 408 D N 3.301 123.407 120.400 -0.491 0.000 2.462 408 D HA 0.292 4.932 4.640 0.000 0.000 0.249 408 D C -0.136 176.072 176.300 -0.154 0.000 1.117 408 D CA -0.002 53.818 54.000 -0.300 0.000 0.900 408 D CB 1.519 42.273 40.800 -0.077 0.000 1.039 408 D HN 0.560 nan 8.370 nan 0.000 0.516 409 T N 2.457 116.926 114.554 -0.141 0.000 2.756 409 T HA 0.410 4.760 4.350 0.000 0.000 0.290 409 T C -0.650 173.938 174.700 -0.187 0.000 0.985 409 T CA -0.606 61.369 62.100 -0.209 0.000 0.955 409 T CB 0.902 69.601 68.868 -0.281 0.000 0.930 409 T HN 0.356 nan 8.240 nan 0.000 0.451 410 Q N 3.566 123.243 119.800 -0.206 0.000 2.365 410 Q HA 0.452 4.792 4.340 0.000 0.000 0.269 410 Q C -1.723 174.179 176.000 -0.164 0.000 1.061 410 Q CA -0.815 54.931 55.803 -0.095 0.000 0.816 410 Q CB 1.676 30.398 28.738 -0.026 0.000 1.325 410 Q HN 0.654 nan 8.270 nan 0.000 0.446 411 D N 2.826 123.210 120.400 -0.027 0.000 2.471 411 D HA 0.242 4.882 4.640 0.000 0.000 0.245 411 D C -1.462 174.858 176.300 0.034 0.000 1.116 411 D CA -0.383 53.605 54.000 -0.019 0.000 0.853 411 D CB 1.245 42.128 40.800 0.138 0.000 1.123 411 D HN 0.412 nan 8.370 nan 0.000 0.540 412 D N 2.084 122.484 120.400 0.001 0.000 2.443 412 D HA 0.286 4.926 4.640 0.000 0.000 0.221 412 D C -0.570 175.742 176.300 0.020 0.000 1.097 412 D CA -0.153 53.861 54.000 0.023 0.000 0.865 412 D CB 1.074 41.886 40.800 0.021 0.000 1.034 412 D HN 0.012 nan 8.370 nan 0.000 0.511 413 S N 1.626 117.336 115.700 0.018 0.000 2.473 413 S HA 0.380 4.850 4.470 0.000 0.000 0.307 413 S C -0.546 174.014 174.600 -0.067 0.000 1.094 413 S CA -0.932 57.258 58.200 -0.017 0.000 1.070 413 S CB 1.564 64.752 63.200 -0.020 0.000 1.019 413 S HN 0.207 nan 8.310 nan 0.000 0.480 414 D N 1.957 122.280 120.400 -0.128 0.000 2.175 414 D HA 0.455 5.095 4.640 0.000 0.000 0.248 414 D C -0.547 175.462 176.300 -0.485 0.000 1.047 414 D CA 0.006 53.855 54.000 -0.252 0.000 0.883 414 D CB 1.280 41.964 40.800 -0.194 0.000 1.180 414 D HN 0.279 nan 8.370 nan 0.000 0.438 415 T N 2.038 116.225 114.554 -0.611 0.000 2.809 415 T HA 0.269 4.619 4.350 0.000 0.000 0.296 415 T C -0.152 174.256 174.700 -0.487 0.000 1.015 415 T CA -0.507 61.182 62.100 -0.685 0.000 0.954 415 T CB -0.038 68.220 68.868 -1.016 0.000 0.950 415 T HN 0.144 nan 8.240 nan 0.000 0.450 416 Y N 1.441 121.656 120.300 -0.141 0.000 2.457 416 Y HA 0.222 4.772 4.550 0.000 0.000 0.341 416 Y C 1.572 177.451 175.900 -0.036 0.000 1.240 416 Y CA -0.568 57.493 58.100 -0.066 0.000 1.437 416 Y CB 0.508 38.958 38.460 -0.015 0.000 1.328 416 Y HN 0.509 nan 8.280 nan 0.000 0.588 417 S N 0.716 116.527 115.700 0.185 0.000 2.563 417 S HA -0.059 4.411 4.470 0.000 0.000 0.284 417 S C 1.111 175.777 174.600 0.111 0.000 1.331 417 S CA -0.058 58.219 58.200 0.127 0.000 1.047 417 S CB 0.587 63.847 63.200 0.101 0.000 0.859 417 S HN 0.796 nan 8.310 nan 0.000 0.514 418 T N 3.170 117.786 114.554 0.102 0.000 2.643 418 T HA -0.001 4.349 4.350 0.000 0.000 0.264 418 T C 0.857 175.594 174.700 0.062 0.000 1.045 418 T CA 1.387 63.535 62.100 0.080 0.000 1.155 418 T CB -0.212 68.703 68.868 0.079 0.000 0.863 418 T HN 0.555 nan 8.240 nan 0.000 0.420 419 S N -0.015 115.721 115.700 0.059 0.000 2.566 419 S HA 0.398 4.868 4.470 0.000 0.000 0.298 419 S C 0.946 175.571 174.600 0.041 0.000 1.083 419 S CA -0.519 57.709 58.200 0.045 0.000 0.978 419 S CB 1.620 64.845 63.200 0.041 0.000 1.073 419 S HN 0.323 nan 8.310 nan 0.000 0.491 420 S N 3.936 119.654 115.700 0.029 0.000 2.650 420 S HA 0.128 4.598 4.470 0.000 0.000 0.219 420 S C 1.290 175.903 174.600 0.022 0.000 0.960 420 S CA -0.153 58.059 58.200 0.021 0.000 0.925 420 S CB -0.276 62.931 63.200 0.011 0.000 0.775 420 S HN 0.582 nan 8.310 nan 0.000 0.525 421 L N -0.171 121.068 121.223 0.027 0.000 2.121 421 L HA 0.434 4.774 4.340 0.000 0.000 0.200 421 L C 0.648 177.535 176.870 0.028 0.000 1.077 421 L CA 1.075 55.930 54.840 0.025 0.000 0.766 421 L CB -1.103 40.972 42.059 0.026 0.000 0.931 421 L HN 0.362 nan 8.230 nan 0.000 0.452 422 L N -0.715 120.529 121.223 0.036 0.000 2.303 422 L HA 0.330 4.670 4.340 0.000 0.000 0.266 422 L C -0.293 176.607 176.870 0.049 0.000 1.011 422 L CA -0.351 54.512 54.840 0.040 0.000 0.818 422 L CB 1.073 43.156 42.059 0.041 0.000 1.326 422 L HN -0.082 nan 8.230 nan 0.000 0.435 423 D N 0.657 121.088 120.400 0.052 0.000 2.467 423 D HA 0.207 4.847 4.640 0.000 0.000 0.220 423 D C -0.135 176.214 176.300 0.082 0.000 1.103 423 D CA -0.140 53.899 54.000 0.065 0.000 0.886 423 D CB 0.316 41.150 40.800 0.057 0.000 1.025 423 D HN 0.528 nan 8.370 nan 0.000 0.514 424 N N 2.225 120.987 118.700 0.103 0.000 2.238 424 N HA 0.167 4.907 4.740 0.000 0.000 0.235 424 N C 0.636 176.272 175.510 0.210 0.000 1.209 424 N CA -0.611 52.519 53.050 0.134 0.000 0.879 424 N CB 0.352 38.911 38.487 0.121 0.000 1.136 424 N HN 0.248 nan 8.380 nan 0.000 0.517 425 G N 0.316 109.222 108.800 0.176 0.000 2.634 425 G HA2 0.414 4.374 3.960 0.000 0.000 0.255 425 G HA3 0.414 4.374 3.960 0.000 0.000 0.255 425 G C -0.892 174.151 174.900 0.237 0.000 1.205 425 G CA -0.238 44.959 45.100 0.162 0.000 0.884 425 G HN 0.434 nan 8.290 nan 0.000 0.549 426 Y N -2.961 117.370 120.300 0.053 0.000 2.624 426 Y HA 0.708 5.258 4.550 0.000 0.000 0.334 426 Y C -0.429 175.484 175.900 0.022 0.000 1.155 426 Y CA -1.554 56.569 58.100 0.037 0.000 1.046 426 Y CB 1.022 39.501 38.460 0.033 0.000 1.316 426 Y HN 0.826 nan 8.280 nan 0.000 0.457 427 A N 1.473 124.391 122.820 0.163 0.000 2.331 427 A HA 0.721 5.041 4.320 0.000 0.000 0.320 427 A C -0.806 176.878 177.584 0.166 0.000 1.138 427 A CA -0.381 51.704 52.037 0.080 0.000 0.790 427 A CB 1.301 20.334 19.000 0.055 0.000 1.206 427 A HN 1.021 nan 8.150 nan 0.000 0.470 428 T N 1.693 116.329 114.554 0.137 0.000 2.879 428 T HA 0.543 4.893 4.350 0.000 0.000 0.290 428 T C -0.521 174.238 174.700 0.098 0.000 0.993 428 T CA -0.633 61.557 62.100 0.151 0.000 0.975 428 T CB 0.662 69.665 68.868 0.224 0.000 0.981 428 T HN 0.836 nan 8.240 nan 0.000 0.439 429 R N 2.849 123.402 120.500 0.088 0.000 2.407 429 R HA 0.643 4.983 4.340 0.000 0.000 0.303 429 R C -0.985 175.372 176.300 0.096 0.000 0.981 429 R CA -0.427 55.723 56.100 0.082 0.000 0.905 429 R CB 1.374 31.716 30.300 0.070 0.000 1.099 429 R HN 0.654 nan 8.270 nan 0.000 0.459 430 T N 4.300 118.928 114.554 0.124 0.000 3.066 430 T HA 0.289 4.639 4.350 0.000 0.000 0.318 430 T C -1.220 173.627 174.700 0.245 0.000 0.979 430 T CA -0.784 61.407 62.100 0.152 0.000 1.025 430 T CB 0.396 69.346 68.868 0.136 0.000 1.002 430 T HN 0.765 nan 8.240 nan 0.000 0.453 431 R N 4.143 124.755 120.500 0.187 0.000 2.711 431 R HA 0.836 5.176 4.340 0.000 0.000 0.284 431 R C -1.803 174.615 176.300 0.195 0.000 0.968 431 R CA -0.943 55.278 56.100 0.202 0.000 0.924 431 R CB 1.501 31.875 30.300 0.122 0.000 1.162 431 R HN 0.479 nan 8.270 nan 0.000 0.465 432 L N 3.392 124.748 121.223 0.223 0.000 2.482 432 L HA 0.492 4.832 4.340 0.000 0.000 0.269 432 L C -1.239 175.671 176.870 0.067 0.000 0.967 432 L CA -0.340 54.595 54.840 0.158 0.000 0.851 432 L CB 1.693 43.861 42.059 0.183 0.000 1.242 432 L HN 0.699 nan 8.230 nan 0.000 0.404 433 R N 2.622 123.141 120.500 0.033 0.000 2.536 433 R HA 0.835 5.175 4.340 0.000 0.000 0.279 433 R C -0.715 175.513 176.300 -0.119 0.000 1.001 433 R CA -0.726 55.287 56.100 -0.146 0.000 1.027 433 R CB 1.529 31.773 30.300 -0.093 0.000 1.096 433 R HN 0.570 nan 8.270 nan 0.000 0.502 434 T N 2.133 116.483 114.554 -0.340 0.000 2.881 434 T HA 0.312 4.662 4.350 0.000 0.000 0.291 434 T C -1.378 173.154 174.700 -0.280 0.000 0.990 434 T CA -0.624 61.398 62.100 -0.131 0.000 0.976 434 T CB 0.517 69.372 68.868 -0.020 0.000 0.970 434 T HN 0.313 nan 8.240 nan 0.000 0.438 435 Y N 1.528 121.868 120.300 0.068 0.000 2.385 435 Y HA 0.601 5.151 4.550 0.000 0.000 0.341 435 Y C 0.902 176.705 175.900 -0.162 0.000 0.965 435 Y CA -0.735 57.380 58.100 0.025 0.000 1.180 435 Y CB 1.313 39.845 38.460 0.120 0.000 1.139 435 Y HN 0.786 nan 8.280 nan 0.000 0.502 436 G N 1.265 109.771 108.800 -0.491 0.000 2.432 436 G HA2 0.794 4.754 3.960 0.000 0.000 0.331 436 G HA3 0.794 4.754 3.960 0.000 0.000 0.331 436 G C -1.442 173.280 174.900 -0.296 0.000 1.170 436 G CA -0.970 43.614 45.100 -0.859 0.000 0.943 436 G HN 0.782 nan 8.290 nan 0.000 0.483 437 A N 1.426 124.309 122.820 0.106 0.000 2.491 437 A HA 0.758 5.078 4.320 0.000 0.000 0.293 437 A C -0.825 176.960 177.584 0.336 0.000 1.047 437 A CA -0.659 51.538 52.037 0.268 0.000 0.735 437 A CB 1.493 20.679 19.000 0.310 0.000 1.281 437 A HN 1.154 nan 8.150 nan 0.000 0.398 438 Q N 1.167 121.151 119.800 0.307 0.000 2.295 438 Q HA 0.761 5.101 4.340 0.000 0.000 0.268 438 Q C -1.141 174.974 176.000 0.193 0.000 1.010 438 Q CA -0.706 55.263 55.803 0.277 0.000 0.856 438 Q CB 2.119 31.028 28.738 0.285 0.000 1.349 438 Q HN 1.847 nan 8.270 nan 0.000 0.412 439 A N 2.866 125.796 122.820 0.183 0.000 2.408 439 A HA 0.639 4.959 4.320 0.000 0.000 0.295 439 A C -1.243 176.410 177.584 0.115 0.000 1.040 439 A CA -0.549 51.545 52.037 0.096 0.000 0.707 439 A CB 1.843 21.013 19.000 0.283 0.000 1.235 439 A HN 0.820 nan 8.150 nan 0.000 0.418 440 Q N 1.215 120.997 119.800 -0.030 0.000 2.456 440 Q HA 0.744 5.084 4.340 0.000 0.000 0.284 440 Q C -1.369 174.618 176.000 -0.022 0.000 1.061 440 Q CA -1.077 54.738 55.803 0.020 0.000 0.799 440 Q CB 1.978 30.814 28.738 0.165 0.000 1.445 440 Q HN 0.503 nan 8.270 nan 0.000 0.411 441 N N 0.353 118.949 118.700 -0.174 0.000 2.295 441 N HA 0.340 5.080 4.740 0.000 0.000 0.293 441 N C -1.940 173.355 175.510 -0.359 0.000 1.040 441 N CA -0.267 52.666 53.050 -0.195 0.000 0.840 441 N CB 2.701 41.105 38.487 -0.137 0.000 1.468 441 N HN 0.689 nan 8.380 nan 0.000 0.478 442 T N 1.649 116.146 114.554 -0.095 0.000 2.842 442 T HA 0.520 4.870 4.350 0.000 0.000 0.308 442 T C -0.907 173.869 174.700 0.126 0.000 1.041 442 T CA -0.389 61.721 62.100 0.016 0.000 0.964 442 T CB -0.266 68.616 68.868 0.023 0.000 0.972 442 T HN 0.336 nan 8.240 nan 0.000 0.460 443 S N 5.020 120.888 115.700 0.281 0.000 2.480 443 S HA 0.576 5.046 4.470 0.000 0.000 0.286 443 S C 0.053 174.899 174.600 0.411 0.000 1.180 443 S CA -0.861 57.578 58.200 0.398 0.000 1.075 443 S CB 0.990 64.531 63.200 0.568 0.000 0.996 443 S HN 0.702 nan 8.310 nan 0.000 0.487 444 R N 1.572 122.285 120.500 0.355 0.000 2.637 444 R HA 0.773 5.113 4.340 0.000 0.000 0.291 444 R C -0.937 175.613 176.300 0.418 0.000 0.963 444 R CA -0.572 55.684 56.100 0.260 0.000 0.901 444 R CB 1.225 31.602 30.300 0.128 0.000 1.160 444 R HN 0.730 nan 8.270 nan 0.000 0.457 445 F N -2.276 117.810 119.950 0.227 0.000 2.858 445 F HA 0.624 5.151 4.527 0.000 0.000 0.319 445 F C -1.487 174.480 175.800 0.278 0.000 1.166 445 F CA -1.001 57.128 58.000 0.215 0.000 0.899 445 F CB 1.486 40.590 39.000 0.172 0.000 1.332 445 F HN 0.253 nan 8.300 nan 0.000 0.461 446 S N 1.075 117.044 115.700 0.448 0.000 2.575 446 S HA 0.545 5.015 4.470 0.000 0.000 0.278 446 S C -0.491 174.346 174.600 0.395 0.000 1.139 446 S CA -0.519 57.913 58.200 0.386 0.000 0.954 446 S CB 1.866 65.216 63.200 0.251 0.000 1.054 446 S HN 0.655 nan 8.310 nan 0.000 0.483 447 L N 1.809 123.288 121.223 0.427 0.000 2.585 447 L HA 0.601 4.941 4.340 0.000 0.000 0.226 447 L C 0.804 177.786 176.870 0.186 0.000 1.113 447 L CA 0.688 55.689 54.840 0.268 0.000 0.876 447 L CB -0.425 41.772 42.059 0.231 0.000 1.072 447 L HN 0.831 nan 8.230 nan 0.000 0.468 448 A N -2.220 120.748 122.820 0.247 0.000 2.601 448 A HA 0.619 4.939 4.320 0.000 0.000 0.291 448 A C -2.142 175.590 177.584 0.247 0.000 1.075 448 A CA -0.646 51.514 52.037 0.205 0.000 0.671 448 A CB 0.171 19.252 19.000 0.135 0.000 1.277 448 A HN -0.125 nan 8.150 nan 0.000 0.417 449 P HA -0.067 nan 4.420 nan 0.000 0.217 449 P C 1.178 178.558 177.300 0.133 0.000 1.148 449 P CA 2.258 65.445 63.100 0.145 0.000 0.828 449 P CB 0.292 32.063 31.700 0.119 0.000 0.783 450 G N -3.178 105.745 108.800 0.205 0.000 3.228 450 G HA2 0.020 3.980 3.960 0.000 0.000 0.245 450 G HA3 0.020 3.980 3.960 0.000 0.000 0.245 450 G C 0.052 174.951 174.900 -0.002 0.000 1.051 450 G CA -0.028 45.099 45.100 0.044 0.000 0.809 450 G HN 0.323 nan 8.290 nan 0.000 0.531 451 H N 1.819 120.979 119.070 0.149 0.000 2.700 451 H HA 0.267 4.823 4.556 0.000 0.000 0.269 451 H C -0.947 174.448 175.328 0.112 0.000 1.222 451 H CA -0.633 55.539 56.048 0.207 0.000 1.254 451 H CB 1.145 31.153 29.762 0.411 0.000 1.413 451 H HN 0.126 nan 8.280 nan 0.000 0.507 452 D N 2.562 122.912 120.400 -0.082 0.000 2.163 452 D HA 0.321 4.961 4.640 0.000 0.000 0.248 452 D C -0.192 175.899 176.300 -0.348 0.000 1.035 452 D CA -0.096 53.842 54.000 -0.104 0.000 0.872 452 D CB 1.338 42.062 40.800 -0.127 0.000 1.183 452 D HN 0.234 nan 8.370 nan 0.000 0.445 453 F N 0.281 120.076 119.950 -0.259 0.000 2.593 453 F HA 0.528 5.055 4.527 0.000 0.000 0.320 453 F C 0.368 175.948 175.800 -0.368 0.000 1.060 453 F CA -0.999 56.768 58.000 -0.389 0.000 0.940 453 F CB 2.065 40.519 39.000 -0.911 0.000 1.268 453 F HN -0.022 nan 8.300 nan 0.000 0.475 454 R N 1.592 122.106 120.500 0.023 0.000 2.631 454 R HA 0.698 5.038 4.340 0.000 0.000 0.289 454 R C -1.758 174.659 176.300 0.195 0.000 1.303 454 R CA -0.471 55.677 56.100 0.079 0.000 0.989 454 R CB 1.127 31.452 30.300 0.042 0.000 1.208 454 R HN 0.781 nan 8.270 nan 0.000 0.461 455 A N 3.507 126.514 122.820 0.312 0.000 2.276 455 A HA 0.333 4.653 4.320 0.000 0.000 0.300 455 A C -0.618 177.206 177.584 0.400 0.000 1.235 455 A CA -0.553 51.724 52.037 0.401 0.000 0.867 455 A CB 0.689 19.997 19.000 0.513 0.000 1.137 455 A HN 0.680 nan 8.150 nan 0.000 0.527 456 N N 2.256 121.173 118.700 0.361 0.000 2.564 456 N HA 0.515 5.255 4.740 0.000 0.000 0.248 456 N C -1.289 174.487 175.510 0.444 0.000 0.986 456 N CA -0.387 52.844 53.050 0.302 0.000 0.921 456 N CB 0.365 38.991 38.487 0.231 0.000 1.136 456 N HN 0.539 nan 8.380 nan 0.000 0.509 457 Y N 0.952 121.372 120.300 0.199 0.000 2.602 457 Y HA 0.982 5.532 4.550 0.000 0.000 0.342 457 Y C 0.535 176.231 175.900 -0.340 0.000 1.029 457 Y CA -1.089 56.967 58.100 -0.075 0.000 1.080 457 Y CB 1.283 39.723 38.460 -0.034 0.000 1.284 457 Y HN 0.480 nan 8.280 nan 0.000 0.485 458 G N 0.516 108.812 108.800 -0.840 0.000 2.344 458 G HA2 0.480 4.440 3.960 0.000 0.000 0.282 458 G HA3 0.480 4.440 3.960 0.000 0.000 0.282 458 G C -2.390 172.111 174.900 -0.665 0.000 1.281 458 G CA -0.447 44.291 45.100 -0.603 0.000 0.877 458 G HN 1.283 nan 8.290 nan 0.000 0.494 459 L N -2.604 118.547 121.223 -0.121 0.000 2.465 459 L HA 0.991 5.331 4.340 0.000 0.000 0.257 459 L C -0.828 176.235 176.870 0.322 0.000 0.988 459 L CA -0.914 54.002 54.840 0.125 0.000 0.827 459 L CB 2.271 44.401 42.059 0.118 0.000 1.397 459 L HN 0.898 nan 8.230 nan 0.000 0.410 460 E N 1.156 121.585 120.200 0.382 0.000 2.340 460 E HA 0.709 5.059 4.350 0.000 0.000 0.273 460 E C -2.209 174.653 176.600 0.437 0.000 0.891 460 E CA -0.701 55.939 56.400 0.399 0.000 0.757 460 E CB 2.516 32.452 29.700 0.393 0.000 1.231 460 E HN 0.696 nan 8.360 nan 0.000 0.439 461 F N 4.703 124.808 119.950 0.257 0.000 2.605 461 F HA 0.461 4.988 4.527 0.000 0.000 0.320 461 F C -2.101 173.857 175.800 0.263 0.000 1.159 461 F CA -0.489 57.625 58.000 0.189 0.000 0.999 461 F CB 1.174 40.255 39.000 0.135 0.000 1.258 461 F HN 0.480 nan 8.300 nan 0.000 0.464 462 Y N 4.454 124.380 120.300 -0.624 0.000 2.457 462 Y HA 0.643 5.193 4.550 0.000 0.000 0.343 462 Y C -2.309 173.242 175.900 -0.581 0.000 0.994 462 Y CA -1.883 55.926 58.100 -0.484 0.000 1.031 462 Y CB 0.989 39.374 38.460 -0.125 0.000 1.246 462 Y HN 0.626 nan 8.280 nan 0.000 0.449 463 Y N 3.616 123.726 120.300 -0.316 0.000 2.328 463 Y HA 0.483 5.033 4.550 0.000 0.000 0.333 463 Y C -1.139 174.825 175.900 0.108 0.000 0.958 463 Y CA -1.064 56.941 58.100 -0.159 0.000 1.167 463 Y CB 0.954 39.396 38.460 -0.030 0.000 1.151 463 Y HN 0.751 nan 8.280 nan 0.000 0.470 464 D N 4.940 125.278 120.400 -0.102 0.000 2.264 464 D HA 0.214 4.854 4.640 0.000 0.000 0.250 464 D C -0.820 175.497 176.300 0.028 0.000 1.113 464 D CA -0.182 53.837 54.000 0.031 0.000 0.871 464 D CB 1.562 42.358 40.800 -0.006 0.000 1.167 464 D HN 0.339 nan 8.370 nan 0.000 0.447 465 K N 1.197 121.727 120.400 0.217 0.000 2.575 465 K HA 0.572 4.892 4.320 0.000 0.000 0.236 465 K C -1.368 175.328 176.600 0.160 0.000 0.976 465 K CA -0.649 55.799 56.287 0.268 0.000 0.985 465 K CB 0.992 33.781 32.500 0.481 0.000 1.198 465 K HN 0.333 nan 8.250 nan 0.000 0.464 466 A N 3.022 125.899 122.820 0.095 0.000 2.289 466 A HA 0.627 4.947 4.320 0.000 0.000 0.298 466 A C -0.363 177.268 177.584 0.078 0.000 1.208 466 A CA -0.306 51.772 52.037 0.069 0.000 0.845 466 A CB 0.298 19.310 19.000 0.020 0.000 1.125 466 A HN 0.765 nan 8.150 nan 0.000 0.517 467 T N -0.846 113.759 114.554 0.085 0.000 2.906 467 T HA 0.789 5.139 4.350 0.000 0.000 0.295 467 T C -0.474 174.270 174.700 0.073 0.000 1.061 467 T CA -0.679 61.470 62.100 0.081 0.000 1.000 467 T CB 1.731 70.656 68.868 0.096 0.000 1.103 467 T HN 1.106 nan 8.240 nan 0.000 0.486 468 S N 0.983 116.721 115.700 0.062 0.000 2.563 468 S HA 0.588 5.058 4.470 0.000 0.000 0.279 468 S C -2.333 172.298 174.600 0.052 0.000 1.155 468 S CA -0.744 57.491 58.200 0.059 0.000 0.928 468 S CB 1.027 64.255 63.200 0.047 0.000 1.107 468 S HN 1.123 nan 8.310 nan 0.000 0.462 469 D N 1.159 121.593 120.400 0.056 0.000 2.581 469 D HA 0.791 5.431 4.640 0.000 0.000 0.232 469 D C -0.774 175.560 176.300 0.058 0.000 1.143 469 D CA -0.643 53.387 54.000 0.050 0.000 0.881 469 D CB 1.732 42.561 40.800 0.049 0.000 1.500 469 D HN 0.421 nan 8.370 nan 0.000 0.458 470 S N -0.883 114.847 115.700 0.051 0.000 2.565 470 S HA 0.450 4.920 4.470 0.000 0.000 0.269 470 S C 0.136 174.771 174.600 0.058 0.000 1.153 470 S CA -0.154 58.088 58.200 0.070 0.000 0.835 470 S CB 1.211 64.449 63.200 0.062 0.000 1.122 470 S HN 0.704 nan 8.310 nan 0.000 0.462 471 S N 1.897 117.654 115.700 0.094 0.000 2.562 471 S HA 0.190 4.660 4.470 0.000 0.000 0.221 471 S C 0.732 175.360 174.600 0.046 0.000 0.975 471 S CA -0.056 58.192 58.200 0.081 0.000 0.918 471 S CB -0.201 63.068 63.200 0.115 0.000 0.772 471 S HN 0.646 nan 8.310 nan 0.000 0.531 472 R N 0.674 121.160 120.500 -0.022 0.000 2.500 472 R HA 0.268 4.608 4.340 0.000 0.000 0.277 472 R C 1.155 177.388 176.300 -0.112 0.000 1.026 472 R CA -0.628 55.382 56.100 -0.150 0.000 1.058 472 R CB 0.504 30.493 30.300 -0.518 0.000 1.078 472 R HN 0.085 nan 8.270 nan 0.000 0.509 473 Q N 1.332 121.071 119.800 -0.101 0.000 1.967 473 Q HA -0.148 4.192 4.340 0.000 0.000 0.210 473 Q C 1.007 176.966 176.000 -0.068 0.000 1.005 473 Q CA 2.315 58.078 55.803 -0.065 0.000 0.862 473 Q CB -0.408 28.297 28.738 -0.056 0.000 0.939 473 Q HN 0.860 nan 8.270 nan 0.000 0.417 474 G N -0.878 107.866 108.800 -0.094 0.000 4.222 474 G HA2 0.214 4.174 3.960 0.000 0.000 0.301 474 G HA3 0.214 4.174 3.960 0.000 0.000 0.301 474 G C 0.799 175.642 174.900 -0.096 0.000 1.171 474 G CA -0.287 44.766 45.100 -0.080 0.000 0.937 474 G HN 0.056 nan 8.290 nan 0.000 0.557 475 M N 0.045 119.578 119.600 -0.112 0.000 2.447 475 M HA 0.100 4.580 4.480 0.000 0.000 0.264 475 M C 1.918 178.199 176.300 -0.031 0.000 1.095 475 M CA 0.751 55.993 55.300 -0.096 0.000 1.125 475 M CB -0.085 32.430 32.600 -0.143 0.000 1.389 475 M HN 0.230 nan 8.290 nan 0.000 0.459 476 E N -0.061 120.128 120.200 -0.019 0.000 2.204 476 E HA -0.095 4.255 4.350 0.000 0.000 0.195 476 E C 1.839 178.443 176.600 0.007 0.000 0.990 476 E CA 1.346 57.750 56.400 0.006 0.000 0.821 476 E CB -0.521 29.186 29.700 0.011 0.000 0.750 476 E HN 0.558 nan 8.360 nan 0.000 0.477 477 G N -0.313 108.484 108.800 -0.005 0.000 3.126 477 G HA2 0.016 3.976 3.960 0.000 0.000 0.224 477 G HA3 0.016 3.976 3.960 0.000 0.000 0.224 477 G C 1.345 176.243 174.900 -0.003 0.000 1.142 477 G CA -0.183 44.918 45.100 0.002 0.000 0.759 477 G HN 0.129 nan 8.290 nan 0.000 0.550 478 V N 1.861 121.767 119.914 -0.013 0.000 2.720 478 V HA -0.172 3.948 4.120 0.000 0.000 0.256 478 V C 3.062 179.165 176.094 0.015 0.000 1.082 478 V CA 2.378 64.672 62.300 -0.010 0.000 1.101 478 V CB -0.653 31.159 31.823 -0.018 0.000 0.693 478 V HN 0.574 nan 8.190 nan 0.000 0.479 479 T N -1.621 112.938 114.554 0.008 0.000 2.755 479 T HA 0.092 4.442 4.350 0.000 0.000 0.251 479 T C -0.980 173.717 174.700 -0.006 0.000 1.044 479 T CA 0.739 62.838 62.100 -0.003 0.000 1.154 479 T CB -0.890 67.967 68.868 -0.019 0.000 0.866 479 T HN 0.467 nan 8.240 nan 0.000 0.416 480 P HA 0.610 nan 4.420 nan 0.000 0.305 480 P C -1.239 176.065 177.300 0.008 0.000 1.303 480 P CA -0.382 62.721 63.100 0.006 0.000 0.807 480 P CB 0.395 32.104 31.700 0.015 0.000 2.029 481 A N -1.215 121.616 122.820 0.018 0.000 2.330 481 A HA 0.799 5.119 4.320 0.000 0.000 0.327 481 A C 0.026 177.622 177.584 0.021 0.000 1.155 481 A CA -0.066 51.988 52.037 0.027 0.000 0.803 481 A CB 0.365 19.389 19.000 0.040 0.000 1.208 481 A HN 0.664 nan 8.150 nan 0.000 0.477 482 G N 0.919 109.732 108.800 0.023 0.000 2.356 482 G HA2 0.519 4.479 3.960 0.000 0.000 0.281 482 G HA3 0.519 4.479 3.960 0.000 0.000 0.281 482 G C -1.665 173.235 174.900 -0.001 0.000 1.246 482 G CA -0.093 45.012 45.100 0.008 0.000 0.889 482 G HN 1.742 nan 8.290 nan 0.000 0.486 483 N N -1.143 117.518 118.700 -0.064 0.000 2.504 483 N HA 0.654 5.394 4.740 0.000 0.000 0.268 483 N C -1.143 174.193 175.510 -0.290 0.000 1.184 483 N CA -0.850 52.083 53.050 -0.194 0.000 0.875 483 N CB 2.187 40.566 38.487 -0.179 0.000 1.630 483 N HN 0.735 nan 8.380 nan 0.000 0.486 484 R N 1.010 121.256 120.500 -0.424 0.000 2.569 484 R HA 0.440 4.780 4.340 0.000 0.000 0.293 484 R C -1.336 174.704 176.300 -0.432 0.000 1.186 484 R CA -0.350 55.559 56.100 -0.317 0.000 0.956 484 R CB 0.767 30.969 30.300 -0.164 0.000 1.196 484 R HN 0.909 nan 8.270 nan 0.000 0.444 485 S N 1.577 117.029 115.700 -0.414 0.000 2.690 485 S HA 0.680 5.150 4.470 0.000 0.000 0.291 485 S C -0.471 173.944 174.600 -0.309 0.000 1.138 485 S CA -0.668 57.282 58.200 -0.415 0.000 1.013 485 S CB 2.279 65.425 63.200 -0.089 0.000 1.053 485 S HN 0.388 nan 8.310 nan 0.000 0.539 486 V N 0.406 120.033 119.914 -0.480 0.000 2.624 486 V HA 0.712 4.832 4.120 0.000 0.000 0.294 486 V C -0.517 175.542 176.094 -0.059 0.000 1.077 486 V CA -0.297 61.855 62.300 -0.247 0.000 0.905 486 V CB 0.915 32.512 31.823 -0.376 0.000 1.025 486 V HN 1.463 nan 8.190 nan 0.000 0.440 487 A N 4.933 127.883 122.820 0.216 0.000 2.301 487 A HA 0.923 5.243 4.320 0.000 0.000 0.312 487 A C 0.121 177.827 177.584 0.204 0.000 1.182 487 A CA -0.268 51.970 52.037 0.336 0.000 0.826 487 A CB 1.210 20.394 19.000 0.308 0.000 1.134 487 A HN 1.134 nan 8.150 nan 0.000 0.501 488 S N 0.669 116.519 115.700 0.251 0.000 2.526 488 S HA 0.681 5.151 4.470 0.000 0.000 0.293 488 S C -1.254 173.521 174.600 0.291 0.000 1.092 488 S CA -0.406 57.945 58.200 0.251 0.000 0.980 488 S CB 1.431 64.803 63.200 0.286 0.000 1.048 488 S HN 0.690 nan 8.310 nan 0.000 0.483 489 L N 4.120 125.520 121.223 0.294 0.000 2.406 489 L HA 0.767 5.107 4.340 0.000 0.000 0.272 489 L C -1.506 175.531 176.870 0.279 0.000 0.980 489 L CA -0.459 54.515 54.840 0.223 0.000 0.831 489 L CB 0.883 43.064 42.059 0.202 0.000 1.253 489 L HN 0.682 nan 8.230 nan 0.000 0.406 490 F N 3.165 123.226 119.950 0.185 0.000 2.603 490 F HA 1.001 5.528 4.527 0.000 0.000 0.317 490 F C -0.778 175.137 175.800 0.192 0.000 1.066 490 F CA -1.011 57.090 58.000 0.169 0.000 0.941 490 F CB 1.905 40.992 39.000 0.144 0.000 1.291 490 F HN 0.593 nan 8.300 nan 0.000 0.472 491 A N 2.655 125.707 122.820 0.387 0.000 2.497 491 A HA 0.651 4.971 4.320 0.000 0.000 0.280 491 A C -1.903 175.872 177.584 0.319 0.000 1.065 491 A CA -0.742 51.486 52.037 0.318 0.000 0.781 491 A CB 0.655 19.757 19.000 0.169 0.000 1.289 491 A HN 0.718 nan 8.150 nan 0.000 0.415 492 N N 1.061 119.976 118.700 0.358 0.000 2.362 492 N HA 0.660 5.400 4.740 0.000 0.000 0.298 492 N C -1.378 174.280 175.510 0.246 0.000 1.048 492 N CA -0.443 52.764 53.050 0.261 0.000 0.858 492 N CB 2.171 40.792 38.487 0.223 0.000 1.218 492 N HN 0.550 nan 8.380 nan 0.000 0.488 493 L N 1.258 122.606 121.223 0.208 0.000 2.372 493 L HA 0.540 4.880 4.340 0.000 0.000 0.274 493 L C -0.693 176.296 176.870 0.199 0.000 0.988 493 L CA -0.120 54.859 54.840 0.232 0.000 0.833 493 L CB 1.530 43.736 42.059 0.246 0.000 1.236 493 L HN 0.449 nan 8.230 nan 0.000 0.410 494 T N 4.444 119.104 114.554 0.176 0.000 2.859 494 T HA 0.459 4.809 4.350 0.000 0.000 0.281 494 T C -1.648 173.100 174.700 0.079 0.000 1.005 494 T CA -0.077 62.087 62.100 0.106 0.000 1.025 494 T CB 0.978 69.871 68.868 0.042 0.000 0.977 494 T HN 0.401 nan 8.240 nan 0.000 0.458 495 Y N 2.403 122.606 120.300 -0.161 0.000 2.322 495 Y HA 0.493 5.043 4.550 0.000 0.000 0.324 495 Y C -1.617 174.079 175.900 -0.341 0.000 1.027 495 Y CA -1.308 56.543 58.100 -0.416 0.000 1.179 495 Y CB 0.917 39.120 38.460 -0.429 0.000 1.136 495 Y HN 0.505 nan 8.280 nan 0.000 0.449 496 D N 5.051 124.960 120.400 -0.818 0.000 2.217 496 D HA 0.234 4.874 4.640 0.000 0.000 0.243 496 D C -1.678 174.068 176.300 -0.923 0.000 1.054 496 D CA 0.082 53.636 54.000 -0.743 0.000 0.838 496 D CB 1.396 41.951 40.800 -0.409 0.000 1.162 496 D HN 0.580 nan 8.370 nan 0.000 0.472 497 Y N 1.608 121.287 120.300 -1.036 0.000 2.331 497 Y HA 0.238 4.788 4.550 0.000 0.000 0.334 497 Y C -0.327 175.129 175.900 -0.738 0.000 0.960 497 Y CA -0.754 56.783 58.100 -0.939 0.000 1.130 497 Y CB 0.994 38.850 38.460 -1.006 0.000 1.164 497 Y HN 0.280 nan 8.280 nan 0.000 0.458 498 D N 4.000 123.809 120.400 -0.984 0.000 2.983 498 D HA -0.217 4.424 4.640 0.000 0.000 0.225 498 D C 1.209 177.341 176.300 -0.279 0.000 1.174 498 D CA 1.976 55.590 54.000 -0.644 0.000 0.831 498 D CB -1.300 39.080 40.800 -0.700 0.000 1.104 498 D HN 1.281 nan 8.370 nan 0.000 0.421 499 G N -0.759 107.854 108.800 -0.312 0.000 2.187 499 G HA2 -0.325 3.635 3.960 0.000 0.000 0.261 499 G HA3 -0.325 3.635 3.960 0.000 0.000 0.261 499 G C 0.733 175.630 174.900 -0.005 0.000 1.000 499 G CA 0.987 46.001 45.100 -0.143 0.000 0.718 499 G HN 0.671 nan 8.290 nan 0.000 0.519 500 W N -2.367 118.860 121.300 -0.122 0.000 2.782 500 W HA 0.632 5.292 4.660 0.000 0.000 0.268 500 W C -0.076 176.436 176.519 -0.011 0.000 1.043 500 W CA -0.053 57.264 57.345 -0.047 0.000 1.387 500 W CB 0.137 29.577 29.460 -0.033 0.000 0.904 500 W HN 0.339 nan 8.180 nan 0.000 0.625 501 L N 2.984 123.739 121.223 -0.779 0.000 2.317 501 L HA 0.728 5.068 4.340 0.000 0.000 0.281 501 L C -0.859 175.750 176.870 -0.435 0.000 1.024 501 L CA 0.068 54.490 54.840 -0.698 0.000 0.810 501 L CB 2.141 43.482 42.059 -1.198 0.000 1.240 501 L HN -0.073 nan 8.230 nan 0.000 0.427 502 T N 6.041 120.463 114.554 -0.221 0.000 2.949 502 T HA 0.537 4.887 4.350 0.000 0.000 0.300 502 T C -1.107 173.566 174.700 -0.045 0.000 0.988 502 T CA -0.228 61.775 62.100 -0.161 0.000 0.993 502 T CB 0.910 69.731 68.868 -0.078 0.000 0.984 502 T HN 0.268 nan 8.240 nan 0.000 0.442 503 L N 3.269 124.488 121.223 -0.006 0.000 2.294 503 L HA 0.527 4.867 4.340 0.000 0.000 0.283 503 L C 0.165 177.105 176.870 0.117 0.000 1.015 503 L CA -0.389 54.518 54.840 0.111 0.000 0.831 503 L CB 1.331 43.526 42.059 0.227 0.000 1.217 503 L HN 0.643 nan 8.230 nan 0.000 0.420 504 E N 1.834 122.093 120.200 0.099 0.000 2.199 504 E HA 0.776 5.126 4.350 0.000 0.000 0.269 504 E C -0.709 175.954 176.600 0.106 0.000 0.899 504 E CA -0.657 55.801 56.400 0.096 0.000 0.772 504 E CB 1.761 31.501 29.700 0.066 0.000 1.155 504 E HN 0.685 nan 8.360 nan 0.000 0.408 505 G N 1.418 110.288 108.800 0.116 0.000 2.718 505 G HA2 0.725 4.685 3.960 0.000 0.000 0.295 505 G HA3 0.725 4.685 3.960 0.000 0.000 0.295 505 G C -0.875 174.098 174.900 0.122 0.000 1.421 505 G CA -0.269 44.899 45.100 0.112 0.000 0.902 505 G HN 0.737 nan 8.290 nan 0.000 0.501 506 G N -1.041 107.828 108.800 0.115 0.000 2.338 506 G HA2 0.669 4.629 3.960 0.000 0.000 0.295 506 G HA3 0.669 4.629 3.960 0.000 0.000 0.295 506 G C -1.729 173.246 174.900 0.124 0.000 1.461 506 G CA 0.030 45.211 45.100 0.134 0.000 0.817 506 G HN 1.726 nan 8.290 nan 0.000 0.556 507 L N -1.984 119.331 121.223 0.153 0.000 2.415 507 L HA 1.008 5.348 4.340 0.000 0.000 0.256 507 L C -0.455 176.541 176.870 0.209 0.000 1.010 507 L CA -1.357 53.572 54.840 0.148 0.000 0.826 507 L CB 2.234 44.367 42.059 0.123 0.000 1.405 507 L HN 0.902 nan 8.230 nan 0.000 0.410 508 R N 0.886 121.508 120.500 0.203 0.000 2.538 508 R HA 0.493 4.833 4.340 0.000 0.000 0.292 508 R C -2.193 174.262 176.300 0.258 0.000 1.008 508 R CA -0.562 55.696 56.100 0.263 0.000 0.896 508 R CB 1.582 32.021 30.300 0.230 0.000 1.187 508 R HN 0.876 nan 8.270 nan 0.000 0.440 509 Y N 4.386 124.774 120.300 0.146 0.000 2.331 509 Y HA 0.367 4.917 4.550 0.000 0.000 0.338 509 Y C -1.106 174.885 175.900 0.150 0.000 0.976 509 Y CA -0.411 57.750 58.100 0.102 0.000 1.137 509 Y CB 1.216 39.715 38.460 0.065 0.000 1.172 509 Y HN 0.637 nan 8.280 nan 0.000 0.478 510 D N 5.071 125.216 120.400 -0.425 0.000 2.299 510 D HA 0.471 5.111 4.640 0.000 0.000 0.243 510 D C -1.041 175.009 176.300 -0.418 0.000 0.982 510 D CA -0.647 53.228 54.000 -0.208 0.000 0.924 510 D CB 1.940 42.869 40.800 0.216 0.000 1.238 510 D HN 0.665 nan 8.370 nan 0.000 0.484 511 R N -0.059 120.412 120.500 -0.049 0.000 2.535 511 R HA 0.454 4.794 4.340 0.000 0.000 0.274 511 R C -2.015 174.427 176.300 0.235 0.000 1.090 511 R CA -0.947 55.209 56.100 0.092 0.000 0.930 511 R CB 0.429 30.722 30.300 -0.012 0.000 1.223 511 R HN 0.538 nan 8.270 nan 0.000 0.441 512 Y N 0.481 120.844 120.300 0.105 0.000 2.524 512 Y HA 0.813 5.363 4.550 0.000 0.000 0.344 512 Y C -1.012 174.888 175.900 -0.000 0.000 1.012 512 Y CA -1.384 56.713 58.100 -0.005 0.000 1.068 512 Y CB 2.060 40.461 38.460 -0.099 0.000 1.249 512 Y HN 0.784 nan 8.280 nan 0.000 0.468 513 R N 3.703 124.037 120.500 -0.278 0.000 2.473 513 R HA 0.529 4.869 4.340 0.000 0.000 0.303 513 R C -2.566 173.570 176.300 -0.273 0.000 1.002 513 R CA -0.684 55.212 56.100 -0.341 0.000 0.884 513 R CB 1.236 31.464 30.300 -0.121 0.000 1.173 513 R HN 0.854 nan 8.270 nan 0.000 0.464 514 L N 4.330 125.360 121.223 -0.322 0.000 2.298 514 L HA 0.624 4.964 4.340 0.000 0.000 0.284 514 L C -0.971 175.827 176.870 -0.120 0.000 1.013 514 L CA -0.132 54.619 54.840 -0.148 0.000 0.824 514 L CB 1.144 43.197 42.059 -0.011 0.000 1.221 514 L HN 0.677 nan 8.230 nan 0.000 0.418 515 R N 3.297 123.743 120.500 -0.090 0.000 2.750 515 R HA 0.947 5.287 4.340 0.000 0.000 0.281 515 R C -0.826 175.458 176.300 -0.028 0.000 0.972 515 R CA -0.834 55.237 56.100 -0.048 0.000 0.912 515 R CB 2.267 32.554 30.300 -0.021 0.000 1.187 515 R HN 0.882 nan 8.270 nan 0.000 0.464 516 G N 1.296 110.092 108.800 -0.006 0.000 2.358 516 G HA2 0.146 4.106 3.960 0.000 0.000 0.301 516 G HA3 0.146 4.106 3.960 0.000 0.000 0.301 516 G C -1.898 173.021 174.900 0.032 0.000 1.539 516 G CA -0.891 44.215 45.100 0.011 0.000 0.893 516 G HN 0.294 nan 8.290 nan 0.000 0.636 517 Q N -0.438 119.389 119.800 0.045 0.000 2.214 517 Q HA 0.875 5.215 4.340 0.000 0.000 0.251 517 Q C 0.085 176.136 176.000 0.085 0.000 0.936 517 Q CA -0.305 55.538 55.803 0.067 0.000 0.894 517 Q CB 2.094 30.864 28.738 0.054 0.000 1.252 517 Q HN 0.793 nan 8.270 nan 0.000 0.448 518 T N -0.475 114.157 114.554 0.130 0.000 2.977 518 T HA 0.711 5.061 4.350 0.000 0.000 0.345 518 T C -1.156 173.676 174.700 0.220 0.000 1.562 518 T CA -0.174 62.025 62.100 0.164 0.000 1.090 518 T CB 0.894 69.866 68.868 0.175 0.000 1.383 518 T HN 0.670 nan 8.240 nan 0.000 0.484 519 G N 1.331 110.247 108.800 0.194 0.000 3.042 519 G HA2 0.888 4.848 3.960 0.000 0.000 0.278 519 G HA3 0.888 4.848 3.960 0.000 0.000 0.278 519 G C -1.700 173.352 174.900 0.254 0.000 1.371 519 G CA -0.778 44.424 45.100 0.170 0.000 1.009 519 G HN 1.071 nan 8.290 nan 0.000 0.523 520 L N -0.521 120.831 121.223 0.214 0.000 2.735 520 L HA 0.554 4.894 4.340 0.000 0.000 0.258 520 L C -1.050 175.937 176.870 0.195 0.000 0.920 520 L CA -0.459 54.563 54.840 0.304 0.000 0.958 520 L CB 1.807 44.111 42.059 0.407 0.000 1.499 520 L HN 0.588 nan 8.230 nan 0.000 0.441 521 S N 2.728 118.542 115.700 0.190 0.000 2.501 521 S HA 0.824 5.294 4.470 0.000 0.000 0.301 521 S C -1.554 173.106 174.600 0.100 0.000 1.096 521 S CA -0.382 57.846 58.200 0.047 0.000 1.063 521 S CB 1.482 64.694 63.200 0.020 0.000 1.042 521 S HN 0.541 nan 8.310 nan 0.000 0.494 522 Y N -0.605 119.688 120.300 -0.013 0.000 2.534 522 Y HA 0.655 5.205 4.550 0.000 0.000 0.345 522 Y C -3.413 172.468 175.900 -0.032 0.000 1.031 522 Y CA -3.181 54.895 58.100 -0.041 0.000 1.022 522 Y CB 0.275 38.684 38.460 -0.085 0.000 1.292 522 Y HN 0.327 nan 8.280 nan 0.000 0.459 523 P HA 0.091 nan 4.420 nan 0.000 0.261 523 P C -0.918 176.448 177.300 0.111 0.000 1.203 523 P CA 0.741 63.882 63.100 0.069 0.000 0.767 523 P CB 0.566 32.305 31.700 0.065 0.000 0.785 524 D N 2.249 122.663 120.400 0.022 0.000 2.477 524 D HA 0.347 4.987 4.640 0.000 0.000 0.234 524 D C -1.103 175.219 176.300 0.037 0.000 1.048 524 D CA -0.518 53.509 54.000 0.046 0.000 0.959 524 D CB 1.252 42.036 40.800 -0.026 0.000 1.408 524 D HN 0.028 nan 8.370 nan 0.000 0.496 525 L N 2.386 123.648 121.223 0.065 0.000 2.603 525 L HA 0.690 5.030 4.340 0.000 0.000 0.242 525 L C -0.844 176.153 176.870 0.213 0.000 1.169 525 L CA 0.010 54.944 54.840 0.156 0.000 1.029 525 L CB -0.757 41.398 42.059 0.160 0.000 1.361 525 L HN 0.541 nan 8.230 nan 0.000 0.439 526 A N 2.393 125.260 122.820 0.078 0.000 2.548 526 A HA 0.721 5.041 4.320 0.000 0.000 0.282 526 A C 0.048 177.534 177.584 -0.164 0.000 1.288 526 A CA -0.341 51.567 52.037 -0.214 0.000 0.748 526 A CB 2.242 21.130 19.000 -0.187 0.000 1.339 526 A HN 0.395 nan 8.150 nan 0.000 0.475 527 K N -1.684 118.543 120.400 -0.289 0.000 2.804 527 K HA 0.196 4.516 4.320 0.000 0.000 0.248 527 K C -0.996 175.547 176.600 -0.094 0.000 1.516 527 K CA 0.114 56.337 56.287 -0.105 0.000 0.881 527 K CB 0.492 32.962 32.500 -0.051 0.000 1.964 527 K HN 0.521 nan 8.250 nan 0.000 0.358 528 D N 0.674 121.011 120.400 -0.105 0.000 3.139 528 D HA 0.251 4.892 4.640 0.000 0.000 0.268 528 D C 0.125 176.371 176.300 -0.091 0.000 1.322 528 D CA 0.515 54.470 54.000 -0.076 0.000 0.940 528 D CB 0.549 41.320 40.800 -0.049 0.000 1.050 528 D HN 0.758 nan 8.370 nan 0.000 0.503 529 G N 0.953 109.688 108.800 -0.108 0.000 2.179 529 G HA2 -0.280 3.681 3.960 0.000 0.000 0.260 529 G HA3 -0.280 3.681 3.960 0.000 0.000 0.260 529 G C 0.396 175.226 174.900 -0.117 0.000 0.977 529 G CA -0.241 44.798 45.100 -0.102 0.000 0.641 529 G HN 0.346 nan 8.290 nan 0.000 0.533 530 Q N 0.531 120.231 119.800 -0.166 0.000 2.421 530 Q HA 0.296 4.636 4.340 0.000 0.000 0.242 530 Q C 0.625 176.434 176.000 -0.319 0.000 1.024 530 Q CA -0.481 55.202 55.803 -0.201 0.000 0.891 530 Q CB 1.061 29.681 28.738 -0.197 0.000 1.222 530 Q HN 0.616 nan 8.270 nan 0.000 0.483 531 R N 2.651 123.036 120.500 -0.192 0.000 2.449 531 R HA 0.029 4.369 4.340 0.000 0.000 0.296 531 R C -0.886 175.344 176.300 -0.118 0.000 1.047 531 R CA -0.121 55.889 56.100 -0.151 0.000 1.018 531 R CB 0.333 30.613 30.300 -0.033 0.000 0.962 531 R HN 0.314 nan 8.270 nan 0.000 0.428 532 Y N 4.109 124.453 120.300 0.073 0.000 2.637 532 Y HA 0.041 4.591 4.550 0.000 0.000 0.350 532 Y C 0.946 176.936 175.900 0.150 0.000 1.069 532 Y CA 0.251 58.418 58.100 0.113 0.000 1.397 532 Y CB 0.377 38.925 38.460 0.146 0.000 1.163 532 Y HN 0.636 nan 8.280 nan 0.000 0.527 533 T N -1.160 113.544 114.554 0.250 0.000 2.870 533 T HA 0.285 4.635 4.350 0.000 0.000 0.277 533 T C 1.034 175.779 174.700 0.075 0.000 1.000 533 T CA -0.763 61.449 62.100 0.187 0.000 0.982 533 T CB 0.968 69.886 68.868 0.083 0.000 1.249 533 T HN 0.375 nan 8.240 nan 0.000 0.589 534 I N 1.512 121.999 120.570 -0.138 0.000 2.264 534 I HA -0.105 4.065 4.170 0.000 0.000 0.248 534 I C 1.349 177.285 176.117 -0.301 0.000 1.111 534 I CA 1.862 62.819 61.300 -0.571 0.000 1.382 534 I CB -0.624 37.091 38.000 -0.475 0.000 1.060 534 I HN 0.807 nan 8.210 nan 0.000 0.418 535 D N -1.214 119.111 120.400 -0.125 0.000 2.342 535 D HA 0.068 4.708 4.640 0.000 0.000 0.221 535 D C 0.201 176.497 176.300 -0.006 0.000 1.101 535 D CA 0.039 54.000 54.000 -0.065 0.000 0.837 535 D CB -0.727 40.046 40.800 -0.045 0.000 0.938 535 D HN 0.356 nan 8.370 nan 0.000 0.508 536 N N 0.434 119.157 118.700 0.038 0.000 2.732 536 N HA 0.248 4.988 4.740 0.000 0.000 0.235 536 N C -3.008 172.658 175.510 0.260 0.000 1.466 536 N CA -1.325 51.800 53.050 0.125 0.000 0.751 536 N CB 1.152 39.703 38.487 0.107 0.000 1.317 536 N HN -0.174 nan 8.380 nan 0.000 0.525 537 P HA 0.076 nan 4.420 nan 0.000 0.274 537 P C 0.691 178.045 177.300 0.088 0.000 1.260 537 P CA -0.404 62.807 63.100 0.186 0.000 0.793 537 P CB 0.967 32.731 31.700 0.106 0.000 1.048 538 c N -0.439 118.034 118.600 -0.212 0.000 2.527 538 c HA 0.158 4.728 4.570 0.000 0.000 0.280 538 c C 1.278 175.250 174.090 -0.196 0.000 1.353 538 c CA 0.653 56.578 56.329 -0.673 0.000 1.749 538 c CB -1.647 40.337 42.510 -0.878 0.000 2.088 538 c HN 0.585 nan 8.230 nan 0.000 0.508 539 K N -0.412 119.954 120.400 -0.057 0.000 3.547 539 K HA -0.160 4.160 4.320 0.000 0.000 0.309 539 K C 0.253 176.860 176.600 0.012 0.000 1.324 539 K CA 1.000 57.282 56.287 -0.007 0.000 0.988 539 K CB -2.104 30.402 32.500 0.010 0.000 1.261 539 K HN 0.719 nan 8.250 nan 0.000 0.444 540 A N -0.112 122.725 122.820 0.028 0.000 2.280 540 A HA 0.507 4.827 4.320 0.000 0.000 0.268 540 A C 1.270 178.928 177.584 0.123 0.000 1.111 540 A CA 0.218 52.290 52.037 0.058 0.000 0.814 540 A CB 0.243 19.257 19.000 0.024 0.000 1.093 540 A HN 0.191 nan 8.150 nan 0.000 0.498 541 L N -1.204 120.078 121.223 0.099 0.000 2.298 541 L HA 0.321 4.661 4.340 0.000 0.000 0.209 541 L C 0.741 177.720 176.870 0.182 0.000 1.084 541 L CA 1.241 56.147 54.840 0.111 0.000 0.816 541 L CB -0.408 41.682 42.059 0.053 0.000 0.967 541 L HN 0.704 nan 8.230 nan 0.000 0.460 542 R N -1.705 118.858 120.500 0.105 0.000 2.873 542 R HA 0.409 4.749 4.340 0.000 0.000 0.264 542 R C 0.840 177.015 176.300 -0.209 0.000 1.026 542 R CA -0.588 55.522 56.100 0.016 0.000 1.002 542 R CB 0.668 30.954 30.300 -0.023 0.000 1.174 542 R HN -0.083 nan 8.270 nan 0.000 0.488 543 L N 0.493 121.444 121.223 -0.454 0.000 2.141 543 L HA -0.134 4.206 4.340 0.000 0.000 0.209 543 L C 1.756 178.462 176.870 -0.274 0.000 1.094 543 L CA 1.759 56.222 54.840 -0.628 0.000 0.763 543 L CB -0.445 41.244 42.059 -0.618 0.000 0.908 543 L HN 0.927 nan 8.230 nan 0.000 0.437 544 T N -3.566 110.890 114.554 -0.164 0.000 2.897 544 T HA -0.134 4.216 4.350 0.000 0.000 0.271 544 T C 1.538 176.204 174.700 -0.057 0.000 1.084 544 T CA 1.114 63.165 62.100 -0.083 0.000 1.123 544 T CB -0.585 68.251 68.868 -0.053 0.000 0.865 544 T HN 0.411 nan 8.240 nan 0.000 0.496 545 G N -1.116 107.643 108.800 -0.068 0.000 3.371 545 G HA2 0.304 4.264 3.960 0.000 0.000 0.248 545 G HA3 0.304 4.264 3.960 0.000 0.000 0.248 545 G C 0.910 175.795 174.900 -0.025 0.000 1.161 545 G CA 0.168 45.251 45.100 -0.029 0.000 0.796 545 G HN 0.599 nan 8.290 nan 0.000 0.539 546 c N 0.047 118.617 118.600 -0.051 0.000 3.637 546 c HA 0.296 4.866 4.570 0.000 0.000 0.439 546 c C 1.516 175.673 174.090 0.112 0.000 1.443 546 c CA -0.055 56.272 56.329 -0.004 0.000 2.037 546 c CB -0.350 42.056 42.510 -0.174 0.000 2.957 546 c HN 0.444 nan 8.230 nan 0.000 0.669 547 S N 1.342 117.063 115.700 0.035 0.000 2.592 547 S HA 0.672 5.142 4.470 0.000 0.000 0.271 547 S C -0.343 174.282 174.600 0.042 0.000 1.326 547 S CA 0.332 58.558 58.200 0.044 0.000 1.024 547 S CB 0.857 64.064 63.200 0.012 0.000 0.921 547 S HN 0.449 nan 8.310 nan 0.000 0.527 548 T N 0.513 115.081 114.554 0.024 0.000 2.769 548 T HA 0.484 4.834 4.350 0.000 0.000 0.306 548 T C -0.908 173.764 174.700 -0.047 0.000 1.400 548 T CA -0.779 61.316 62.100 -0.009 0.000 1.007 548 T CB 1.648 70.509 68.868 -0.013 0.000 1.392 548 T HN 0.783 nan 8.240 nan 0.000 0.500 549 T N 1.228 115.737 114.554 -0.076 0.000 2.779 549 T HA 0.610 4.960 4.350 0.000 0.000 0.280 549 T C -0.826 173.748 174.700 -0.210 0.000 0.987 549 T CA -0.220 61.803 62.100 -0.128 0.000 0.966 549 T CB 0.638 69.457 68.868 -0.081 0.000 0.933 549 T HN 0.536 nan 8.240 nan 0.000 0.442 550 T N 4.841 119.156 114.554 -0.399 0.000 2.779 550 T HA 0.508 4.858 4.350 0.000 0.000 0.280 550 T C -0.300 174.093 174.700 -0.512 0.000 0.987 550 T CA -0.667 61.140 62.100 -0.489 0.000 0.966 550 T CB 1.005 69.480 68.868 -0.654 0.000 0.933 550 T HN 0.567 nan 8.240 nan 0.000 0.442 551 R N 2.460 122.791 120.500 -0.280 0.000 2.368 551 R HA 0.458 4.798 4.340 0.000 0.000 0.302 551 R C -0.585 175.613 176.300 -0.170 0.000 1.002 551 R CA -0.515 55.477 56.100 -0.180 0.000 0.929 551 R CB 0.679 30.913 30.300 -0.109 0.000 1.073 551 R HN 0.658 nan 8.270 nan 0.000 0.464 552 E N 2.806 122.926 120.200 -0.133 0.000 2.216 552 E HA 0.241 4.591 4.350 0.000 0.000 0.260 552 E C -1.288 175.074 176.600 -0.397 0.000 0.880 552 E CA -0.723 55.514 56.400 -0.270 0.000 0.765 552 E CB 0.970 30.539 29.700 -0.218 0.000 1.174 552 E HN 0.576 nan 8.360 nan 0.000 0.417 553 D N 4.255 124.399 120.400 -0.427 0.000 2.256 553 D HA 0.214 4.854 4.640 0.000 0.000 0.240 553 D C -1.071 174.996 176.300 -0.389 0.000 1.062 553 D CA -0.163 53.657 54.000 -0.299 0.000 0.832 553 D CB 0.616 41.337 40.800 -0.132 0.000 1.135 553 D HN 0.324 nan 8.370 nan 0.000 0.484 554 W N 0.960 122.281 121.300 0.034 0.000 2.429 554 W HA 0.221 4.881 4.660 0.000 0.000 0.314 554 W C 0.479 176.993 176.519 -0.009 0.000 1.062 554 W CA -0.827 56.523 57.345 0.009 0.000 1.211 554 W CB 1.064 30.509 29.460 -0.024 0.000 1.305 554 W HN 0.147 nan 8.180 nan 0.000 0.476 555 D N 3.231 123.752 120.400 0.201 0.000 2.557 555 D HA 0.147 4.787 4.640 0.000 0.000 0.236 555 D C -0.418 175.935 176.300 0.089 0.000 1.154 555 D CA -0.246 53.822 54.000 0.112 0.000 0.985 555 D CB 0.378 41.220 40.800 0.070 0.000 1.010 555 D HN 0.015 nan 8.370 nan 0.000 0.516 556 V N 2.880 122.834 119.914 0.066 0.000 2.540 556 V HA 0.084 4.204 4.120 0.000 0.000 0.297 556 V C 0.681 176.760 176.094 -0.025 0.000 1.024 556 V CA 0.545 62.838 62.300 -0.012 0.000 1.105 556 V CB 0.989 32.777 31.823 -0.060 0.000 0.938 556 V HN 0.445 nan 8.190 nan 0.000 0.482 557 D N 4.198 124.571 120.400 -0.044 0.000 3.118 557 D HA 0.162 4.802 4.640 0.000 0.000 0.259 557 D C -0.014 176.235 176.300 -0.085 0.000 1.292 557 D CA -0.551 53.416 54.000 -0.056 0.000 0.784 557 D CB 0.491 41.278 40.800 -0.022 0.000 1.413 557 D HN 0.661 nan 8.370 nan 0.000 0.583 558 R N 0.713 121.132 120.500 -0.134 0.000 2.598 558 R HA 0.780 5.120 4.340 0.000 0.000 0.279 558 R C -0.865 175.218 176.300 -0.361 0.000 0.984 558 R CA -0.764 55.242 56.100 -0.157 0.000 0.999 558 R CB 1.292 31.540 30.300 -0.086 0.000 1.114 558 R HN 0.101 nan 8.270 nan 0.000 0.493 559 D N -0.095 120.127 120.400 -0.296 0.000 2.706 559 D HA 0.236 4.876 4.640 0.000 0.000 0.225 559 D C -1.234 175.025 176.300 -0.068 0.000 1.241 559 D CA -0.792 52.960 54.000 -0.413 0.000 0.784 559 D CB 1.375 42.014 40.800 -0.268 0.000 1.521 559 D HN 0.756 nan 8.370 nan 0.000 0.461 560 Q N 0.072 119.935 119.800 0.105 0.000 2.804 560 Q HA 0.687 5.027 4.340 0.000 0.000 0.302 560 Q C -1.307 174.834 176.000 0.235 0.000 0.885 560 Q CA -1.526 54.407 55.803 0.215 0.000 0.759 560 Q CB 1.232 30.135 28.738 0.275 0.000 1.465 560 Q HN 0.699 nan 8.270 nan 0.000 0.432 561 G N 0.067 108.898 108.800 0.052 0.000 2.568 561 G HA2 0.730 4.690 3.960 0.000 0.000 0.313 561 G HA3 0.730 4.690 3.960 0.000 0.000 0.313 561 G C -1.609 173.008 174.900 -0.472 0.000 1.227 561 G CA -0.676 44.331 45.100 -0.156 0.000 0.979 561 G HN 0.548 nan 8.290 nan 0.000 0.486 562 K N -0.505 119.518 120.400 -0.628 0.000 2.580 562 K HA 0.451 4.771 4.320 0.000 0.000 0.258 562 K C -2.001 174.495 176.600 -0.174 0.000 0.936 562 K CA -0.647 55.256 56.287 -0.640 0.000 0.852 562 K CB 1.637 33.098 32.500 -1.730 0.000 1.329 562 K HN 0.475 nan 8.250 nan 0.000 0.430 563 L N 2.382 123.620 121.223 0.026 0.000 2.307 563 L HA 0.705 5.045 4.340 0.000 0.000 0.282 563 L C -1.114 175.791 176.870 0.057 0.000 1.051 563 L CA 0.394 55.318 54.840 0.140 0.000 0.804 563 L CB 1.759 43.894 42.059 0.126 0.000 1.197 563 L HN 0.639 nan 8.230 nan 0.000 0.431 564 S N 5.589 121.344 115.700 0.092 0.000 2.707 564 S HA 0.604 5.074 4.470 0.000 0.000 0.303 564 S C -2.678 171.960 174.600 0.063 0.000 1.132 564 S CA -0.866 57.374 58.200 0.066 0.000 1.046 564 S CB 1.619 64.867 63.200 0.081 0.000 1.004 564 S HN 0.464 nan 8.310 nan 0.000 0.483 565 P HA 0.496 nan 4.420 nan 0.000 0.286 565 P C -0.823 176.476 177.300 -0.002 0.000 1.261 565 P CA -0.535 62.595 63.100 0.051 0.000 0.821 565 P CB 0.919 32.670 31.700 0.086 0.000 1.013 566 T N 0.041 114.610 114.554 0.025 0.000 2.928 566 T HA 0.717 5.067 4.350 0.000 0.000 0.296 566 T C -0.854 173.876 174.700 0.049 0.000 1.000 566 T CA -0.629 61.467 62.100 -0.006 0.000 0.989 566 T CB 0.329 69.189 68.868 -0.013 0.000 1.005 566 T HN -0.011 nan 8.240 nan 0.000 0.442 567 L N 1.846 123.108 121.223 0.065 0.000 2.354 567 L HA 1.004 5.344 4.340 0.000 0.000 0.264 567 L C -0.224 176.707 176.870 0.102 0.000 1.008 567 L CA -0.787 54.114 54.840 0.101 0.000 0.819 567 L CB 2.101 44.241 42.059 0.135 0.000 1.339 567 L HN 1.175 nan 8.230 nan 0.000 0.420 568 A N 1.290 124.178 122.820 0.115 0.000 2.566 568 A HA 0.864 5.184 4.320 0.000 0.000 0.297 568 A C -1.888 175.782 177.584 0.144 0.000 1.059 568 A CA -0.534 51.585 52.037 0.137 0.000 0.691 568 A CB 1.749 20.811 19.000 0.104 0.000 1.282 568 A HN 0.349 nan 8.150 nan 0.000 0.401 569 V N 0.542 120.565 119.914 0.183 0.000 2.686 569 V HA 0.850 4.970 4.120 0.000 0.000 0.306 569 V C -0.040 176.179 176.094 0.208 0.000 1.065 569 V CA 0.046 62.448 62.300 0.170 0.000 0.894 569 V CB 1.746 33.673 31.823 0.173 0.000 1.004 569 V HN 1.818 nan 8.190 nan 0.000 0.424 570 A N 4.204 127.122 122.820 0.164 0.000 2.408 570 A HA 0.921 5.241 4.320 0.000 0.000 0.295 570 A C -1.000 176.685 177.584 0.169 0.000 1.040 570 A CA -0.558 51.599 52.037 0.201 0.000 0.707 570 A CB 1.928 21.026 19.000 0.164 0.000 1.235 570 A HN 1.589 nan 8.150 nan 0.000 0.418 571 V N -0.096 119.958 119.914 0.233 0.000 2.789 571 V HA 0.722 4.842 4.120 0.000 0.000 0.311 571 V C -0.502 175.769 176.094 0.295 0.000 1.073 571 V CA -1.097 61.389 62.300 0.310 0.000 0.921 571 V CB 1.764 33.818 31.823 0.386 0.000 1.009 571 V HN 0.816 nan 8.190 nan 0.000 0.426 572 R N 4.053 124.757 120.500 0.340 0.000 2.204 572 R HA 0.382 4.722 4.340 0.000 0.000 0.341 572 R C -1.926 174.473 176.300 0.165 0.000 1.035 572 R CA -1.463 54.782 56.100 0.243 0.000 0.887 572 R CB 1.184 31.622 30.300 0.229 0.000 1.114 572 R HN 0.599 nan 8.270 nan 0.000 0.473 573 P HA -0.235 nan 4.420 nan 0.000 0.211 573 P C 0.888 178.147 177.300 -0.069 0.000 0.906 573 P CA 1.551 64.664 63.100 0.022 0.000 1.017 573 P CB 0.228 31.944 31.700 0.026 0.000 0.717 574 G N -2.963 105.806 108.800 -0.053 0.000 4.165 574 G HA2 0.443 4.403 3.960 0.000 0.000 0.287 574 G HA3 0.443 4.403 3.960 0.000 0.000 0.287 574 G C -0.932 173.939 174.900 -0.048 0.000 1.019 574 G CA 0.159 45.201 45.100 -0.096 0.000 0.806 574 G HN 0.448 nan 8.290 nan 0.000 0.447 575 V N -0.827 119.098 119.914 0.018 0.000 3.108 575 V HA 0.341 4.461 4.120 0.000 0.000 0.287 575 V C -0.136 176.042 176.094 0.140 0.000 1.436 575 V CA -0.597 61.744 62.300 0.068 0.000 1.001 575 V CB 1.956 33.820 31.823 0.069 0.000 1.141 575 V HN 0.260 nan 8.190 nan 0.000 0.443 576 E N 4.493 124.775 120.200 0.136 0.000 2.516 576 E HA -0.130 4.220 4.350 0.000 0.000 0.199 576 E C 1.300 178.004 176.600 0.174 0.000 1.069 576 E CA 1.094 57.575 56.400 0.136 0.000 0.876 576 E CB 0.121 29.879 29.700 0.096 0.000 0.843 576 E HN 0.813 nan 8.360 nan 0.000 0.530 577 W N 1.671 122.985 121.300 0.024 0.000 2.321 577 W HA -0.100 4.560 4.660 0.000 0.000 0.306 577 W C 0.330 176.882 176.519 0.055 0.000 1.217 577 W CA 1.049 58.409 57.345 0.025 0.000 1.257 577 W CB -0.014 29.445 29.460 -0.002 0.000 1.145 577 W HN 0.058 nan 8.180 nan 0.000 0.509 578 L N 0.505 121.892 121.223 0.274 0.000 2.376 578 L HA 0.433 4.773 4.340 0.000 0.000 0.258 578 L C -1.089 175.904 176.870 0.206 0.000 1.013 578 L CA -0.635 54.329 54.840 0.206 0.000 0.822 578 L CB 2.181 44.447 42.059 0.344 0.000 1.388 578 L HN -0.118 nan 8.230 nan 0.000 0.413 579 E N 3.400 123.742 120.200 0.236 0.000 2.281 579 E HA 0.417 4.767 4.350 0.000 0.000 0.266 579 E C -1.902 174.904 176.600 0.343 0.000 0.893 579 E CA -0.602 55.952 56.400 0.256 0.000 0.798 579 E CB 1.625 31.459 29.700 0.222 0.000 1.245 579 E HN 0.609 nan 8.360 nan 0.000 0.410 580 L N 4.657 126.055 121.223 0.291 0.000 2.379 580 L HA 0.563 4.903 4.340 0.000 0.000 0.269 580 L C -0.511 176.563 176.870 0.341 0.000 1.084 580 L CA -0.823 54.185 54.840 0.280 0.000 0.802 580 L CB 0.652 42.815 42.059 0.172 0.000 1.175 580 L HN 0.572 nan 8.230 nan 0.000 0.448 581 Y N -0.572 119.842 120.300 0.191 0.000 2.656 581 Y HA 0.746 5.296 4.550 0.000 0.000 0.334 581 Y C -1.167 174.841 175.900 0.180 0.000 1.179 581 Y CA -0.988 57.210 58.100 0.163 0.000 1.050 581 Y CB 1.807 40.347 38.460 0.133 0.000 1.308 581 Y HN 0.376 nan 8.280 nan 0.000 0.456 582 T N 1.831 116.593 114.554 0.347 0.000 3.032 582 T HA 0.581 4.931 4.350 0.000 0.000 0.312 582 T C -1.226 173.689 174.700 0.358 0.000 1.078 582 T CA -0.645 61.640 62.100 0.308 0.000 1.028 582 T CB 1.548 70.593 68.868 0.294 0.000 1.091 582 T HN 0.952 nan 8.240 nan 0.000 0.457 583 T N 0.715 115.477 114.554 0.347 0.000 2.848 583 T HA 0.736 5.086 4.350 0.000 0.000 0.285 583 T C -1.286 173.493 174.700 0.131 0.000 0.995 583 T CA -0.828 61.407 62.100 0.226 0.000 0.970 583 T CB 1.548 70.528 68.868 0.187 0.000 0.976 583 T HN 0.598 nan 8.240 nan 0.000 0.441 584 Y N 1.389 121.580 120.300 -0.182 0.000 2.499 584 Y HA 0.752 5.302 4.550 0.000 0.000 0.347 584 Y C -0.235 175.487 175.900 -0.295 0.000 0.987 584 Y CA -0.172 57.624 58.100 -0.505 0.000 1.044 584 Y CB 2.033 39.872 38.460 -1.034 0.000 1.245 584 Y HN 1.266 nan 8.280 nan 0.000 0.461 585 G N 3.973 112.047 108.800 -1.210 0.000 2.579 585 G HA2 0.465 4.425 3.960 0.000 0.000 0.292 585 G HA3 0.465 4.425 3.960 0.000 0.000 0.292 585 G C -2.326 172.143 174.900 -0.719 0.000 1.484 585 G CA -1.283 43.347 45.100 -0.783 0.000 0.813 585 G HN 0.572 nan 8.290 nan 0.000 0.515 586 K N 0.026 120.191 120.400 -0.391 0.000 2.318 586 K HA 0.821 5.141 4.320 0.000 0.000 0.249 586 K C -0.427 176.137 176.600 -0.059 0.000 0.942 586 K CA -0.806 55.365 56.287 -0.193 0.000 0.808 586 K CB 2.423 34.862 32.500 -0.100 0.000 1.189 586 K HN 0.484 nan 8.250 nan 0.000 0.428 587 S N 0.677 116.385 115.700 0.014 0.000 2.732 587 S HA 0.713 5.183 4.470 0.000 0.000 0.293 587 S C -2.141 172.586 174.600 0.212 0.000 1.159 587 S CA -0.673 57.579 58.200 0.087 0.000 0.847 587 S CB 0.952 64.172 63.200 0.033 0.000 1.169 587 S HN 0.623 nan 8.310 nan 0.000 0.501 588 W N 2.610 123.889 121.300 -0.035 0.000 3.651 588 W HA 0.515 5.175 4.660 0.000 0.000 0.322 588 W C -1.612 174.858 176.519 -0.081 0.000 1.132 588 W CA -0.395 56.923 57.345 -0.046 0.000 1.277 588 W CB 0.625 30.063 29.460 -0.037 0.000 1.249 588 W HN 0.799 nan 8.180 nan 0.000 0.448 589 R N 5.360 125.485 120.500 -0.624 0.000 2.439 589 R HA 0.765 5.105 4.340 0.000 0.000 0.310 589 R C -2.847 172.826 176.300 -1.044 0.000 0.955 589 R CA -1.796 53.848 56.100 -0.760 0.000 0.853 589 R CB 2.066 32.131 30.300 -0.391 0.000 1.171 589 R HN 0.052 nan 8.270 nan 0.000 0.449 590 P HA 0.214 nan 4.420 nan 0.000 0.272 590 P C -2.481 174.321 177.300 -0.831 0.000 1.240 590 P CA -1.483 60.811 63.100 -1.343 0.000 0.791 590 P CB 0.037 30.354 31.700 -2.305 0.000 0.978 591 P HA 0.077 nan 4.420 nan 0.000 0.268 591 P C -0.552 176.493 177.300 -0.425 0.000 1.208 591 P CA 0.415 63.257 63.100 -0.431 0.000 0.777 591 P CB 0.182 31.723 31.700 -0.264 0.000 0.875 592 A N 2.434 124.941 122.820 -0.523 0.000 2.264 592 A HA 0.335 4.655 4.320 0.000 0.000 0.304 592 A C 1.518 178.877 177.584 -0.374 0.000 1.100 592 A CA -0.583 51.150 52.037 -0.505 0.000 0.839 592 A CB -0.181 18.295 19.000 -0.874 0.000 1.121 592 A HN 0.548 nan 8.150 nan 0.000 0.496 593 I N 0.208 120.625 120.570 -0.255 0.000 2.163 593 I HA -0.249 3.921 4.170 0.000 0.000 0.243 593 I C 2.440 178.443 176.117 -0.190 0.000 1.085 593 I CA 2.037 63.233 61.300 -0.173 0.000 1.347 593 I CB -0.723 37.209 38.000 -0.113 0.000 1.044 593 I HN 0.749 nan 8.210 nan 0.000 0.408 594 T N 1.019 115.438 114.554 -0.225 0.000 2.622 594 T HA -0.207 4.143 4.350 0.000 0.000 0.266 594 T C 1.640 176.147 174.700 -0.323 0.000 1.047 594 T CA 1.898 63.879 62.100 -0.198 0.000 1.159 594 T CB -0.432 68.378 68.868 -0.097 0.000 0.863 594 T HN 0.586 nan 8.240 nan 0.000 0.422 595 E N 0.463 120.262 120.200 -0.669 0.000 2.409 595 E HA -0.072 4.278 4.350 0.000 0.000 0.198 595 E C 1.643 178.089 176.600 -0.257 0.000 1.024 595 E CA 0.998 56.919 56.400 -0.798 0.000 0.861 595 E CB -0.364 28.675 29.700 -1.101 0.000 0.788 595 E HN 0.368 nan 8.360 nan 0.000 0.521 596 T N 0.951 115.374 114.554 -0.218 0.000 3.021 596 T HA 0.158 4.508 4.350 0.000 0.000 0.245 596 T C 1.626 176.296 174.700 -0.050 0.000 1.028 596 T CA 0.403 62.429 62.100 -0.123 0.000 1.139 596 T CB 0.135 68.915 68.868 -0.147 0.000 0.884 596 T HN 0.109 nan 8.240 nan 0.000 0.457 597 L N 0.830 122.031 121.223 -0.037 0.000 2.766 597 L HA 0.271 4.611 4.340 0.000 0.000 0.242 597 L C 1.141 178.046 176.870 0.057 0.000 1.136 597 L CA -0.166 54.684 54.840 0.018 0.000 0.933 597 L CB 0.011 42.071 42.059 0.002 0.000 1.241 597 L HN 0.123 nan 8.230 nan 0.000 0.522 598 T N 3.059 117.650 114.554 0.061 0.000 2.849 598 T HA 0.024 4.374 4.350 0.000 0.000 0.289 598 T C -0.096 174.654 174.700 0.084 0.000 1.010 598 T CA 0.237 62.386 62.100 0.082 0.000 1.161 598 T CB -0.189 68.773 68.868 0.156 0.000 0.989 598 T HN 0.537 nan 8.240 nan 0.000 0.523 599 N N 3.321 122.038 118.700 0.030 0.000 2.493 599 N HA 0.564 5.304 4.740 0.000 0.000 0.279 599 N C -0.380 175.085 175.510 -0.074 0.000 1.082 599 N CA -0.223 52.817 53.050 -0.017 0.000 0.963 599 N CB 1.378 39.898 38.487 0.055 0.000 1.627 599 N HN 1.022 nan 8.380 nan 0.000 0.499 600 G N 0.477 109.175 108.800 -0.169 0.000 2.334 600 G HA2 0.348 4.308 3.960 0.000 0.000 0.315 600 G HA3 0.348 4.308 3.960 0.000 0.000 0.315 600 G C -1.733 173.048 174.900 -0.199 0.000 1.284 600 G CA -0.200 44.805 45.100 -0.159 0.000 0.985 600 G HN 1.659 nan 8.290 nan 0.000 0.504 601 S N -1.758 113.834 115.700 -0.180 0.000 2.541 601 S HA 0.843 5.313 4.470 0.000 0.000 0.271 601 S C 0.475 174.951 174.600 -0.207 0.000 1.133 601 S CA 0.354 58.426 58.200 -0.214 0.000 0.876 601 S CB 1.684 64.756 63.200 -0.215 0.000 1.105 601 S HN 2.390 nan 8.310 nan 0.000 0.470 602 A N 0.717 123.404 122.820 -0.221 0.000 2.169 602 A HA 0.547 4.867 4.320 0.000 0.000 0.210 602 A C 0.488 178.102 177.584 0.050 0.000 1.168 602 A CA 1.031 53.017 52.037 -0.085 0.000 0.813 602 A CB -0.621 18.439 19.000 0.099 0.000 0.861 602 A HN 1.240 nan 8.150 nan 0.000 0.481 603 H N -3.299 115.772 119.070 0.001 0.000 2.883 603 H HA 0.611 5.167 4.556 0.000 0.000 0.277 603 H C -0.116 175.221 175.328 0.014 0.000 1.451 603 H CA -0.403 55.665 56.048 0.032 0.000 1.157 603 H CB 0.101 29.913 29.762 0.083 0.000 1.851 603 H HN 0.050 nan 8.280 nan 0.000 0.566 604 S N -0.068 115.751 115.700 0.199 0.000 2.624 604 S HA 0.304 4.774 4.470 0.000 0.000 0.263 604 S C 0.646 175.321 174.600 0.124 0.000 1.287 604 S CA 0.032 58.297 58.200 0.108 0.000 0.990 604 S CB 0.578 63.839 63.200 0.102 0.000 0.950 604 S HN 1.962 nan 8.310 nan 0.000 0.561 605 S N -1.891 113.849 115.700 0.066 0.000 3.445 605 S HA -0.185 4.285 4.470 0.000 0.000 0.319 605 S C 0.013 174.628 174.600 0.025 0.000 1.209 605 S CA 0.668 58.903 58.200 0.057 0.000 0.934 605 S CB -2.472 60.775 63.200 0.078 0.000 0.999 605 S HN 1.982 nan 8.310 nan 0.000 0.582 606 S N -0.788 114.887 115.700 -0.041 0.000 2.548 606 S HA 0.660 5.130 4.470 0.000 0.000 0.278 606 S C -0.957 173.540 174.600 -0.173 0.000 1.150 606 S CA 0.302 58.431 58.200 -0.117 0.000 0.907 606 S CB 1.946 65.037 63.200 -0.181 0.000 1.108 606 S HN 0.799 nan 8.310 nan 0.000 0.459 607 T N 4.192 118.655 114.554 -0.151 0.000 3.172 607 T HA 0.379 4.729 4.350 0.000 0.000 0.320 607 T C -1.335 173.156 174.700 -0.348 0.000 1.085 607 T CA -0.673 61.271 62.100 -0.260 0.000 1.052 607 T CB 1.644 70.361 68.868 -0.253 0.000 1.107 607 T HN 0.656 nan 8.240 nan 0.000 0.458 608 Q N 2.006 121.586 119.800 -0.368 0.000 2.259 608 Q HA 0.526 4.866 4.340 0.000 0.000 0.249 608 Q C -1.186 174.587 176.000 -0.379 0.000 0.914 608 Q CA -0.493 55.154 55.803 -0.260 0.000 0.904 608 Q CB 1.370 30.037 28.738 -0.119 0.000 1.213 608 Q HN 0.600 nan 8.270 nan 0.000 0.428 609 Y N 0.909 121.265 120.300 0.093 0.000 2.570 609 Y HA 0.411 4.961 4.550 0.000 0.000 0.345 609 Y C -2.162 173.907 175.900 0.283 0.000 1.014 609 Y CA -2.539 55.709 58.100 0.246 0.000 1.063 609 Y CB 1.448 40.188 38.460 0.467 0.000 1.272 609 Y HN 0.537 nan 8.280 nan 0.000 0.477 610 P HA 0.200 nan 4.420 nan 0.000 0.276 610 P C -0.894 176.658 177.300 0.419 0.000 1.261 610 P CA -0.430 62.873 63.100 0.339 0.000 0.800 610 P CB 0.674 32.530 31.700 0.259 0.000 1.066 611 N N 0.332 119.162 118.700 0.217 0.000 2.710 611 N HA 0.246 4.986 4.740 0.000 0.000 0.244 611 N C -2.490 172.963 175.510 -0.096 0.000 1.321 611 N CA -1.892 51.276 53.050 0.195 0.000 0.758 611 N CB 0.474 39.150 38.487 0.315 0.000 1.284 611 N HN 0.031 nan 8.380 nan 0.000 0.530 612 P HA 0.194 nan 4.420 nan 0.000 0.247 612 P C -0.296 176.403 177.300 -1.001 0.000 1.225 612 P CA 0.606 63.213 63.100 -0.821 0.000 0.768 612 P CB -0.220 30.646 31.700 -1.389 0.000 1.020 613 F N -1.677 118.169 119.950 -0.173 0.000 2.814 613 F HA 0.264 4.791 4.527 0.000 0.000 0.326 613 F C 0.593 176.373 175.800 -0.033 0.000 1.159 613 F CA -0.676 57.256 58.000 -0.113 0.000 1.234 613 F CB -0.142 38.765 39.000 -0.155 0.000 1.016 613 F HN -0.275 nan 8.300 nan 0.000 0.510 614 L N 2.779 124.043 121.223 0.069 0.000 2.455 614 L HA 0.123 4.463 4.340 0.000 0.000 0.272 614 L C 0.536 177.432 176.870 0.044 0.000 1.174 614 L CA -0.041 54.831 54.840 0.053 0.000 0.869 614 L CB 0.619 42.668 42.059 -0.017 0.000 1.130 614 L HN 0.347 nan 8.230 nan 0.000 0.474 615 Q N 4.241 124.077 119.800 0.060 0.000 2.243 615 Q HA 0.452 4.792 4.340 0.000 0.000 0.252 615 Q C -2.543 173.469 176.000 0.020 0.000 0.909 615 Q CA -2.320 53.525 55.803 0.070 0.000 0.922 615 Q CB 0.696 29.490 28.738 0.094 0.000 1.215 615 Q HN 0.300 nan 8.270 nan 0.000 0.427 616 P HA -0.114 nan 4.420 nan 0.000 0.266 616 P C -0.876 176.409 177.300 -0.026 0.000 1.195 616 P CA 0.228 63.252 63.100 -0.126 0.000 0.768 616 P CB 0.403 32.073 31.700 -0.050 0.000 0.838 617 E N 2.945 123.073 120.200 -0.119 0.000 2.283 617 E HA 0.375 4.725 4.350 0.000 0.000 0.278 617 E C -0.254 176.392 176.600 0.077 0.000 1.027 617 E CA -0.866 55.539 56.400 0.008 0.000 0.843 617 E CB 1.169 30.867 29.700 -0.003 0.000 1.062 617 E HN 0.227 nan 8.360 nan 0.000 0.401 618 R N 1.799 122.401 120.500 0.170 0.000 2.562 618 R HA 0.293 4.633 4.340 0.000 0.000 0.298 618 R C -0.946 175.452 176.300 0.163 0.000 0.961 618 R CA -0.476 55.755 56.100 0.217 0.000 0.881 618 R CB 2.052 32.491 30.300 0.231 0.000 1.159 618 R HN 0.852 nan 8.270 nan 0.000 0.450 619 S N 3.198 118.980 115.700 0.136 0.000 2.568 619 S HA 0.651 5.121 4.470 0.000 0.000 0.302 619 S C -0.483 174.146 174.600 0.049 0.000 1.082 619 S CA -0.906 57.356 58.200 0.105 0.000 1.009 619 S CB 2.680 65.932 63.200 0.086 0.000 1.069 619 S HN 0.524 nan 8.310 nan 0.000 0.500 620 R N 0.921 121.450 120.500 0.049 0.000 2.538 620 R HA 0.669 5.009 4.340 0.000 0.000 0.292 620 R C -1.852 174.443 176.300 -0.008 0.000 1.008 620 R CA -0.443 55.647 56.100 -0.016 0.000 0.896 620 R CB 1.626 31.995 30.300 0.114 0.000 1.187 620 R HN 0.998 nan 8.270 nan 0.000 0.440 621 A N 4.617 127.324 122.820 -0.188 0.000 2.357 621 A HA 0.580 4.900 4.320 0.000 0.000 0.295 621 A C -1.758 175.763 177.584 -0.105 0.000 1.121 621 A CA -0.616 51.382 52.037 -0.066 0.000 0.742 621 A CB 0.636 19.596 19.000 -0.066 0.000 1.181 621 A HN 0.686 nan 8.150 nan 0.000 0.454 622 W N 0.831 122.217 121.300 0.144 0.000 2.512 622 W HA 0.666 5.326 4.660 0.000 0.000 0.335 622 W C 0.471 177.077 176.519 0.145 0.000 1.088 622 W CA 0.044 57.511 57.345 0.203 0.000 1.236 622 W CB 1.463 31.058 29.460 0.224 0.000 1.307 622 W HN 0.760 nan 8.180 nan 0.000 0.567 623 E N 1.418 121.890 120.200 0.453 0.000 2.352 623 E HA 0.521 4.871 4.350 0.000 0.000 0.280 623 E C -2.179 174.590 176.600 0.280 0.000 0.930 623 E CA -0.797 55.794 56.400 0.318 0.000 0.765 623 E CB 2.455 32.312 29.700 0.262 0.000 1.219 623 E HN 0.281 nan 8.360 nan 0.000 0.434 624 V N 3.128 123.142 119.914 0.167 0.000 2.733 624 V HA 0.964 5.084 4.120 0.000 0.000 0.306 624 V C -0.719 175.263 176.094 -0.188 0.000 1.084 624 V CA 0.598 62.887 62.300 -0.018 0.000 0.905 624 V CB 1.325 33.203 31.823 0.093 0.000 1.010 624 V HN 0.817 nan 8.190 nan 0.000 0.424 625 G N 4.796 113.211 108.800 -0.642 0.000 2.561 625 G HA2 0.786 4.747 3.960 0.000 0.000 0.310 625 G HA3 0.786 4.747 3.960 0.000 0.000 0.310 625 G C -1.536 173.125 174.900 -0.399 0.000 1.292 625 G CA -0.059 44.750 45.100 -0.485 0.000 0.811 625 G HN 1.714 nan 8.290 nan 0.000 0.482 626 F N -0.769 119.156 119.950 -0.041 0.000 2.668 626 F HA 0.740 5.267 4.527 0.000 0.000 0.309 626 F C -0.925 175.032 175.800 0.261 0.000 1.117 626 F CA -1.413 56.694 58.000 0.179 0.000 0.951 626 F CB 1.541 40.606 39.000 0.108 0.000 1.323 626 F HN 0.682 nan 8.300 nan 0.000 0.451 627 N N 0.773 119.726 118.700 0.422 0.000 2.229 627 N HA 0.700 5.440 4.740 0.000 0.000 0.298 627 N C -2.144 173.506 175.510 0.233 0.000 1.114 627 N CA -0.972 52.240 53.050 0.271 0.000 0.776 627 N CB 3.002 41.625 38.487 0.227 0.000 1.501 627 N HN 0.506 nan 8.380 nan 0.000 0.474 628 V N 0.996 120.974 119.914 0.108 0.000 2.495 628 V HA 0.298 4.418 4.120 0.000 0.000 0.298 628 V C -0.481 175.497 176.094 -0.193 0.000 1.031 628 V CA -0.544 61.687 62.300 -0.115 0.000 0.871 628 V CB 1.351 33.029 31.823 -0.241 0.000 0.988 628 V HN 0.719 nan 8.190 nan 0.000 0.432 629 Q N 3.561 123.231 119.800 -0.216 0.000 2.932 629 Q HA 0.369 4.709 4.340 0.000 0.000 0.248 629 Q C -0.968 174.921 176.000 -0.186 0.000 0.982 629 Q CA -0.441 55.259 55.803 -0.172 0.000 0.730 629 Q CB 1.898 30.598 28.738 -0.064 0.000 1.249 629 Q HN 0.667 nan 8.270 nan 0.000 0.476 630 Q N 2.555 122.200 119.800 -0.258 0.000 2.462 630 Q HA 0.360 4.700 4.340 0.000 0.000 0.247 630 Q C -2.689 173.286 176.000 -0.043 0.000 1.044 630 Q CA -2.053 53.644 55.803 -0.176 0.000 0.803 630 Q CB 1.166 29.666 28.738 -0.397 0.000 1.190 630 Q HN 0.164 nan 8.270 nan 0.000 0.507 631 P HA 0.170 nan 4.420 nan 0.000 0.274 631 P C -1.013 176.333 177.300 0.076 0.000 1.231 631 P CA 0.002 63.126 63.100 0.039 0.000 0.790 631 P CB 0.542 32.260 31.700 0.029 0.000 0.951 632 D N -0.215 120.247 120.400 0.103 0.000 2.956 632 D HA -0.154 4.486 4.640 0.000 0.000 0.240 632 D C 0.379 176.744 176.300 0.109 0.000 1.141 632 D CA 0.486 54.556 54.000 0.117 0.000 0.820 632 D CB -0.966 39.883 40.800 0.082 0.000 0.988 632 D HN 0.196 nan 8.370 nan 0.000 0.417 633 L N -0.885 120.435 121.223 0.162 0.000 2.228 633 L HA 0.208 4.548 4.340 0.000 0.000 0.196 633 L C 1.877 178.684 176.870 -0.105 0.000 1.162 633 L CA 1.317 56.187 54.840 0.049 0.000 0.801 633 L CB -0.339 41.794 42.059 0.124 0.000 0.983 633 L HN 0.333 nan 8.230 nan 0.000 0.471 634 W N -1.447 119.877 121.300 0.041 0.000 2.560 634 W HA 0.179 4.839 4.660 0.000 0.000 0.303 634 W C 0.423 176.720 176.519 -0.370 0.000 1.151 634 W CA 0.121 57.325 57.345 -0.235 0.000 1.426 634 W CB -0.317 28.941 29.460 -0.335 0.000 1.135 634 W HN -0.141 nan 8.180 nan 0.000 0.522 635 F N 0.868 121.066 119.950 0.414 0.000 2.470 635 F HA 0.249 4.776 4.527 0.000 0.000 0.329 635 F C 0.458 176.365 175.800 0.179 0.000 1.072 635 F CA -1.575 56.576 58.000 0.252 0.000 0.989 635 F CB 0.620 39.758 39.000 0.230 0.000 1.193 635 F HN -0.304 nan 8.300 nan 0.000 0.481 636 E N 0.769 121.153 120.200 0.307 0.000 2.366 636 E HA 0.365 4.715 4.350 0.000 0.000 0.266 636 E C 0.874 177.571 176.600 0.161 0.000 1.015 636 E CA 0.933 57.444 56.400 0.185 0.000 0.906 636 E CB 0.206 29.986 29.700 0.135 0.000 0.979 636 E HN 0.875 nan 8.360 nan 0.000 0.443 637 G N 4.185 113.059 108.800 0.123 0.000 2.238 637 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 637 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 637 G C 0.099 175.041 174.900 0.071 0.000 0.996 637 G CA 0.147 45.295 45.100 0.081 0.000 0.632 637 G HN 0.767 nan 8.290 nan 0.000 0.503 638 D N 0.367 120.839 120.400 0.121 0.000 2.356 638 D HA 0.625 5.265 4.640 0.000 0.000 0.258 638 D C 0.568 176.904 176.300 0.061 0.000 1.279 638 D CA 0.305 54.349 54.000 0.073 0.000 1.016 638 D CB 0.370 41.272 40.800 0.170 0.000 1.107 638 D HN 1.002 nan 8.370 nan 0.000 0.544 639 R N -1.406 119.102 120.500 0.013 0.000 2.561 639 R HA 0.506 4.847 4.340 0.000 0.000 0.266 639 R C -1.705 174.653 176.300 0.097 0.000 1.091 639 R CA -0.918 55.203 56.100 0.035 0.000 0.927 639 R CB 0.642 30.919 30.300 -0.039 0.000 1.240 639 R HN 0.452 nan 8.270 nan 0.000 0.449 640 L N 3.649 124.948 121.223 0.126 0.000 2.317 640 L HA 0.831 5.172 4.340 0.000 0.000 0.281 640 L C -1.230 175.571 176.870 -0.115 0.000 1.024 640 L CA -0.950 53.969 54.840 0.132 0.000 0.810 640 L CB 1.880 44.018 42.059 0.132 0.000 1.240 640 L HN 0.687 nan 8.230 nan 0.000 0.427 641 V N 4.346 124.143 119.914 -0.196 0.000 2.851 641 V HA 0.909 5.029 4.120 0.000 0.000 0.307 641 V C -0.749 175.088 176.094 -0.430 0.000 1.129 641 V CA -0.065 61.953 62.300 -0.470 0.000 0.932 641 V CB 1.948 33.262 31.823 -0.848 0.000 1.024 641 V HN 1.115 nan 8.190 nan 0.000 0.426 642 A N 5.170 127.820 122.820 -0.283 0.000 2.588 642 A HA 0.978 5.298 4.320 0.000 0.000 0.290 642 A C -1.111 176.601 177.584 0.213 0.000 1.136 642 A CA -0.734 51.313 52.037 0.018 0.000 0.681 642 A CB 2.266 21.299 19.000 0.056 0.000 1.282 642 A HN 0.772 nan 8.150 nan 0.000 0.421 643 K N 0.743 121.227 120.400 0.142 0.000 2.610 643 K HA 0.512 4.832 4.320 0.000 0.000 0.274 643 K C -2.089 174.421 176.600 -0.151 0.000 1.049 643 K CA -0.271 56.024 56.287 0.013 0.000 0.945 643 K CB 1.612 34.150 32.500 0.063 0.000 1.313 643 K HN 0.609 nan 8.250 nan 0.000 0.463 644 V N 1.892 121.526 119.914 -0.468 0.000 2.715 644 V HA 0.939 5.059 4.120 0.000 0.000 0.310 644 V C -0.527 175.342 176.094 -0.375 0.000 1.054 644 V CA -0.731 61.282 62.300 -0.479 0.000 0.928 644 V CB 1.581 33.032 31.823 -0.620 0.000 1.007 644 V HN 0.876 nan 8.190 nan 0.000 0.437 645 A N 3.070 125.759 122.820 -0.219 0.000 2.547 645 A HA 0.732 5.052 4.320 0.000 0.000 0.297 645 A C -1.952 175.664 177.584 0.055 0.000 1.056 645 A CA -0.522 51.484 52.037 -0.052 0.000 0.688 645 A CB 1.457 20.499 19.000 0.071 0.000 1.282 645 A HN 0.991 nan 8.150 nan 0.000 0.400 646 Y N 2.680 122.965 120.300 -0.025 0.000 2.334 646 Y HA 0.644 5.194 4.550 0.000 0.000 0.336 646 Y C -0.894 175.046 175.900 0.066 0.000 0.960 646 Y CA -1.098 56.976 58.100 -0.042 0.000 1.164 646 Y CB 0.790 39.207 38.460 -0.072 0.000 1.155 646 Y HN 0.722 nan 8.280 nan 0.000 0.478 647 F N 3.217 122.860 119.950 -0.512 0.000 2.470 647 F HA 0.671 5.198 4.527 0.000 0.000 0.329 647 F C -1.053 174.426 175.800 -0.535 0.000 1.072 647 F CA -1.185 56.599 58.000 -0.361 0.000 0.989 647 F CB 1.530 40.429 39.000 -0.167 0.000 1.193 647 F HN 0.358 nan 8.300 nan 0.000 0.481 648 D N 1.551 121.909 120.400 -0.070 0.000 2.328 648 D HA 0.217 4.857 4.640 0.000 0.000 0.243 648 D C -1.446 174.966 176.300 0.187 0.000 1.324 648 D CA -0.123 53.864 54.000 -0.022 0.000 0.966 648 D CB 1.457 42.264 40.800 0.011 0.000 1.324 648 D HN 0.645 nan 8.370 nan 0.000 0.549 649 T N 3.012 117.704 114.554 0.231 0.000 2.749 649 T HA 0.350 4.700 4.350 0.000 0.000 0.287 649 T C -0.018 174.819 174.700 0.228 0.000 0.970 649 T CA -0.519 61.718 62.100 0.227 0.000 0.980 649 T CB 1.360 70.365 68.868 0.228 0.000 0.924 649 T HN 0.162 nan 8.240 nan 0.000 0.456 650 K N 3.276 123.785 120.400 0.183 0.000 2.307 650 K HA 0.625 4.945 4.320 0.000 0.000 0.263 650 K C -1.358 175.337 176.600 0.157 0.000 0.973 650 K CA -0.614 55.760 56.287 0.145 0.000 0.846 650 K CB 0.843 33.425 32.500 0.137 0.000 1.100 650 K HN 0.354 nan 8.250 nan 0.000 0.438 651 V N 3.794 123.804 119.914 0.160 0.000 2.588 651 V HA 0.299 4.419 4.120 0.000 0.000 0.304 651 V C -1.046 175.153 176.094 0.176 0.000 1.042 651 V CA -1.002 61.423 62.300 0.207 0.000 0.877 651 V CB 1.778 33.811 31.823 0.349 0.000 0.996 651 V HN 0.941 nan 8.190 nan 0.000 0.425 652 D N 2.649 123.152 120.400 0.171 0.000 2.252 652 D HA 0.483 5.123 4.640 0.000 0.000 0.245 652 D C 0.043 176.439 176.300 0.161 0.000 1.009 652 D CA -0.893 53.194 54.000 0.144 0.000 0.870 652 D CB 1.054 41.918 40.800 0.107 0.000 1.251 652 D HN 0.370 nan 8.370 nan 0.000 0.460 653 N N -0.842 117.946 118.700 0.148 0.000 2.882 653 N HA -0.230 4.510 4.740 0.000 0.000 0.249 653 N C -1.031 174.580 175.510 0.168 0.000 1.079 653 N CA 0.166 53.295 53.050 0.131 0.000 0.800 653 N CB -2.375 36.170 38.487 0.096 0.000 1.124 653 N HN 0.623 nan 8.380 nan 0.000 0.557 654 Y N 2.638 123.000 120.300 0.102 0.000 2.828 654 Y HA -0.007 4.543 4.550 0.000 0.000 0.359 654 Y C 1.475 177.473 175.900 0.164 0.000 1.258 654 Y CA -0.390 57.788 58.100 0.131 0.000 1.652 654 Y CB 0.127 38.688 38.460 0.168 0.000 1.232 654 Y HN 0.167 nan 8.280 nan 0.000 0.513 655 I N 4.593 125.137 120.570 -0.043 0.000 2.648 655 I HA 0.187 4.357 4.170 0.000 0.000 0.284 655 I C -1.054 175.124 176.117 0.101 0.000 1.153 655 I CA 0.061 61.392 61.300 0.052 0.000 1.426 655 I CB 0.655 38.636 38.000 -0.033 0.000 1.381 655 I HN 0.583 nan 8.210 nan 0.000 0.571 656 N N 6.230 125.057 118.700 0.211 0.000 2.287 656 N HA 0.351 5.091 4.740 0.000 0.000 0.289 656 N C -0.947 174.535 175.510 -0.046 0.000 1.066 656 N CA -0.615 52.473 53.050 0.064 0.000 0.841 656 N CB 2.694 41.052 38.487 -0.214 0.000 1.599 656 N HN 0.744 nan 8.380 nan 0.000 0.476 657 L N 1.986 123.076 121.223 -0.221 0.000 2.600 657 L HA 0.281 4.621 4.340 0.000 0.000 0.278 657 L C -0.026 176.667 176.870 -0.295 0.000 1.139 657 L CA -0.057 54.429 54.840 -0.591 0.000 0.933 657 L CB -0.316 41.316 42.059 -0.712 0.000 1.266 657 L HN 0.576 nan 8.230 nan 0.000 0.471 658 A N 6.669 129.338 122.820 -0.252 0.000 2.312 658 A HA 0.644 4.964 4.320 0.000 0.000 0.326 658 A C -0.155 177.307 177.584 -0.203 0.000 1.172 658 A CA -0.759 51.190 52.037 -0.147 0.000 0.821 658 A CB 0.991 20.040 19.000 0.082 0.000 1.166 658 A HN 0.787 nan 8.150 nan 0.000 0.493 659 I N -1.598 118.867 120.570 -0.176 0.000 3.660 659 I HA 0.687 4.857 4.170 0.000 0.000 0.285 659 I C 0.439 176.481 176.117 -0.125 0.000 1.266 659 I CA -0.335 60.829 61.300 -0.226 0.000 0.987 659 I CB 0.792 38.590 38.000 -0.337 0.000 1.417 659 I HN 0.647 nan 8.210 nan 0.000 0.590 660 D N 0.588 120.925 120.400 -0.105 0.000 2.882 660 D HA -0.164 4.476 4.640 0.000 0.000 0.229 660 D C -0.349 175.947 176.300 -0.006 0.000 1.167 660 D CA 0.695 54.673 54.000 -0.037 0.000 0.759 660 D CB -0.373 40.417 40.800 -0.016 0.000 1.088 660 D HN 0.505 nan 8.370 nan 0.000 0.425 661 R N 0.560 121.028 120.500 -0.054 0.000 2.500 661 R HA 0.501 4.841 4.340 0.000 0.000 0.275 661 R C 0.457 176.821 176.300 0.106 0.000 1.051 661 R CA -0.449 55.630 56.100 -0.035 0.000 1.088 661 R CB 0.555 30.630 30.300 -0.374 0.000 1.063 661 R HN 0.377 nan 8.270 nan 0.000 0.511 662 N N 0.668 119.526 118.700 0.263 0.000 2.354 662 N HA 0.186 4.926 4.740 0.000 0.000 0.287 662 N C -0.787 174.924 175.510 0.336 0.000 1.016 662 N CA -0.890 52.306 53.050 0.244 0.000 0.871 662 N CB 1.372 39.931 38.487 0.120 0.000 1.299 662 N HN 0.322 nan 8.380 nan 0.000 0.482 663 K N 0.909 121.409 120.400 0.167 0.000 2.180 663 K HA 0.423 4.743 4.320 0.000 0.000 0.251 663 K C -2.377 174.064 176.600 -0.264 0.000 1.014 663 K CA -1.384 54.787 56.287 -0.192 0.000 0.913 663 K CB -0.278 32.056 32.500 -0.276 0.000 1.008 663 K HN 0.254 nan 8.250 nan 0.000 0.490 664 P HA -0.007 nan 4.420 nan 0.000 0.272 664 P C 0.276 177.305 177.300 -0.453 0.000 1.243 664 P CA 0.748 63.503 63.100 -0.575 0.000 0.803 664 P CB 0.130 31.242 31.700 -0.980 0.000 0.974 665 G N -1.631 106.964 108.800 -0.342 0.000 2.627 665 G HA2 -0.163 3.797 3.960 0.000 0.000 0.214 665 G HA3 -0.163 3.797 3.960 0.000 0.000 0.214 665 G C -0.720 174.146 174.900 -0.057 0.000 1.331 665 G CA -0.666 44.412 45.100 -0.037 0.000 0.891 665 G HN 0.559 nan 8.290 nan 0.000 0.539 666 L N -0.358 120.844 121.223 -0.035 0.000 2.483 666 L HA 0.288 4.628 4.340 0.000 0.000 0.277 666 L C 1.430 178.267 176.870 -0.055 0.000 1.248 666 L CA -0.583 54.192 54.840 -0.109 0.000 0.825 666 L CB 0.028 42.024 42.059 -0.105 0.000 1.096 666 L HN 0.470 nan 8.230 nan 0.000 0.512 667 V N 1.514 121.396 119.914 -0.052 0.000 2.485 667 V HA 0.034 4.154 4.120 0.000 0.000 0.287 667 V C 0.284 176.386 176.094 0.015 0.000 1.022 667 V CA 0.322 62.614 62.300 -0.014 0.000 1.067 667 V CB 0.528 32.350 31.823 -0.002 0.000 0.967 667 V HN 0.747 nan 8.190 nan 0.000 0.479 668 Q N 5.609 125.419 119.800 0.018 0.000 3.550 668 Q HA 0.325 4.665 4.340 0.000 0.000 0.206 668 Q C -2.672 173.350 176.000 0.036 0.000 0.891 668 Q CA -1.307 54.515 55.803 0.032 0.000 0.737 668 Q CB 1.734 30.497 28.738 0.041 0.000 1.417 668 Q HN 0.608 nan 8.270 nan 0.000 0.460 669 P HA 0.132 nan 4.420 nan 0.000 0.268 669 P C -1.127 176.196 177.300 0.039 0.000 1.205 669 P CA 0.048 63.167 63.100 0.030 0.000 0.771 669 P CB 1.131 32.843 31.700 0.020 0.000 0.858 670 S N 2.341 118.066 115.700 0.041 0.000 2.550 670 S HA 0.196 4.666 4.470 0.000 0.000 0.274 670 S C 0.811 175.426 174.600 0.025 0.000 1.110 670 S CA -0.603 57.622 58.200 0.041 0.000 1.013 670 S CB 0.051 63.291 63.200 0.067 0.000 1.152 670 S HN 0.171 nan 8.310 nan 0.000 0.450 671 I N 3.809 124.382 120.570 0.005 0.000 2.361 671 I HA -0.023 4.147 4.170 0.000 0.000 0.251 671 I C 2.462 178.545 176.117 -0.057 0.000 1.133 671 I CA 1.907 63.191 61.300 -0.026 0.000 1.413 671 I CB -1.650 36.333 38.000 -0.029 0.000 1.073 671 I HN 0.795 nan 8.210 nan 0.000 0.424 672 G N 1.214 109.996 108.800 -0.031 0.000 2.509 672 G HA2 -0.170 3.790 3.960 0.000 0.000 0.218 672 G HA3 -0.170 3.790 3.960 0.000 0.000 0.218 672 G C 0.712 175.582 174.900 -0.049 0.000 1.124 672 G CA 0.006 45.073 45.100 -0.054 0.000 0.776 672 G HN 0.346 nan 8.290 nan 0.000 0.547 673 N N 1.559 120.271 118.700 0.020 0.000 2.400 673 N HA 0.455 5.195 4.740 0.000 0.000 0.267 673 N C -0.030 175.451 175.510 -0.048 0.000 1.208 673 N CA 0.146 53.262 53.050 0.110 0.000 0.951 673 N CB 1.068 39.659 38.487 0.173 0.000 1.227 673 N HN 0.280 nan 8.380 nan 0.000 0.488 674 A N 1.231 123.996 122.820 -0.093 0.000 2.340 674 A HA 0.940 5.260 4.320 0.000 0.000 0.331 674 A C -0.520 176.915 177.584 -0.247 0.000 1.140 674 A CA -0.589 51.304 52.037 -0.239 0.000 0.801 674 A CB 1.237 20.054 19.000 -0.304 0.000 1.234 674 A HN 0.609 nan 8.150 nan 0.000 0.469 675 A N 0.488 123.073 122.820 -0.391 0.000 2.582 675 A HA 0.575 4.895 4.320 0.000 0.000 0.297 675 A C -1.604 175.765 177.584 -0.359 0.000 1.059 675 A CA -0.644 51.172 52.037 -0.369 0.000 0.705 675 A CB 0.231 18.837 19.000 -0.656 0.000 1.279 675 A HN 0.790 nan 8.150 nan 0.000 0.404 676 Y N 0.788 121.015 120.300 -0.121 0.000 2.442 676 Y HA 0.417 4.967 4.550 0.000 0.000 0.330 676 Y C 0.935 176.807 175.900 -0.046 0.000 1.129 676 Y CA 0.672 58.734 58.100 -0.062 0.000 1.365 676 Y CB 1.082 39.513 38.460 -0.048 0.000 1.233 676 Y HN 0.835 nan 8.280 nan 0.000 0.529 677 V N -0.124 119.883 119.914 0.154 0.000 3.049 677 V HA 0.534 4.654 4.120 0.000 0.000 0.309 677 V C -0.861 175.349 176.094 0.192 0.000 1.148 677 V CA -1.641 60.753 62.300 0.155 0.000 0.990 677 V CB 1.977 33.870 31.823 0.117 0.000 1.039 677 V HN 0.723 nan 8.190 nan 0.000 0.430 678 N N 2.696 121.478 118.700 0.137 0.000 2.497 678 N HA 0.241 4.981 4.740 0.000 0.000 0.271 678 N C -0.315 175.237 175.510 0.071 0.000 1.142 678 N CA -0.234 52.884 53.050 0.113 0.000 0.965 678 N CB 0.363 38.898 38.487 0.081 0.000 1.077 678 N HN 0.828 nan 8.380 nan 0.000 0.462 679 N N 2.401 121.168 118.700 0.112 0.000 2.475 679 N HA 0.056 4.796 4.740 0.000 0.000 0.267 679 N C 0.608 176.086 175.510 -0.053 0.000 1.169 679 N CA 0.076 53.106 53.050 -0.034 0.000 0.947 679 N CB 0.615 39.193 38.487 0.152 0.000 1.061 679 N HN 0.496 nan 8.380 nan 0.000 0.466 680 L N 0.921 122.056 121.223 -0.146 0.000 2.217 680 L HA 0.016 4.356 4.340 0.000 0.000 0.211 680 L C 0.947 177.780 176.870 -0.061 0.000 1.107 680 L CA 0.526 55.312 54.840 -0.089 0.000 0.783 680 L CB -0.307 41.680 42.059 -0.120 0.000 0.919 680 L HN 0.368 nan 8.230 nan 0.000 0.442 681 S N -0.555 115.098 115.700 -0.078 0.000 2.669 681 S HA 0.268 4.738 4.470 0.000 0.000 0.270 681 S C 0.079 174.675 174.600 -0.008 0.000 1.225 681 S CA -0.608 57.565 58.200 -0.044 0.000 0.991 681 S CB 1.064 64.229 63.200 -0.058 0.000 0.987 681 S HN 0.082 nan 8.310 nan 0.000 0.552 682 K N 1.719 122.113 120.400 -0.009 0.000 2.227 682 K HA 0.316 4.636 4.320 0.000 0.000 0.280 682 K C -0.676 175.889 176.600 -0.059 0.000 1.041 682 K CA -0.205 56.081 56.287 -0.001 0.000 0.905 682 K CB 0.981 33.488 32.500 0.011 0.000 1.068 682 K HN 0.436 nan 8.250 nan 0.000 0.470 683 T N 4.375 118.877 114.554 -0.086 0.000 2.744 683 T HA 0.241 4.591 4.350 0.000 0.000 0.291 683 T C -0.101 174.367 174.700 -0.386 0.000 0.957 683 T CA -0.692 61.227 62.100 -0.300 0.000 1.002 683 T CB 0.364 68.969 68.868 -0.439 0.000 0.919 683 T HN 0.576 nan 8.240 nan 0.000 0.468 684 R N 2.019 122.206 120.500 -0.522 0.000 2.686 684 R HA 0.678 5.018 4.340 0.000 0.000 0.286 684 R C -1.751 174.177 176.300 -0.621 0.000 0.969 684 R CA -0.910 54.959 56.100 -0.386 0.000 0.898 684 R CB 1.279 31.499 30.300 -0.133 0.000 1.183 684 R HN 0.402 nan 8.270 nan 0.000 0.456 685 F N 2.585 122.524 119.950 -0.018 0.000 2.460 685 F HA 0.542 5.069 4.527 0.000 0.000 0.341 685 F C 0.086 175.944 175.800 0.097 0.000 1.130 685 F CA -0.815 57.205 58.000 0.033 0.000 0.962 685 F CB 1.790 40.816 39.000 0.044 0.000 1.171 685 F HN 0.542 nan 8.300 nan 0.000 0.436 686 R N 1.732 122.261 120.500 0.049 0.000 2.707 686 R HA 0.990 5.331 4.340 0.000 0.000 0.272 686 R C -0.821 175.012 176.300 -0.778 0.000 1.011 686 R CA -1.325 54.474 56.100 -0.502 0.000 0.893 686 R CB 2.313 32.403 30.300 -0.349 0.000 1.233 686 R HN 0.820 nan 8.270 nan 0.000 0.464 687 G N 0.809 108.681 108.800 -1.546 0.000 2.321 687 G HA2 0.357 4.317 3.960 0.000 0.000 0.296 687 G HA3 0.357 4.317 3.960 0.000 0.000 0.296 687 G C -2.001 172.570 174.900 -0.548 0.000 1.287 687 G CA -1.068 43.603 45.100 -0.715 0.000 0.846 687 G HN 0.382 nan 8.290 nan 0.000 0.508 688 L N 0.310 121.548 121.223 0.025 0.000 2.365 688 L HA 0.608 4.948 4.340 0.000 0.000 0.273 688 L C -0.477 176.402 176.870 0.014 0.000 1.000 688 L CA -0.689 54.161 54.840 0.017 0.000 0.819 688 L CB 2.313 44.364 42.059 -0.014 0.000 1.284 688 L HN 0.551 nan 8.230 nan 0.000 0.418 689 E N 2.711 122.829 120.200 -0.136 0.000 2.185 689 E HA 0.400 4.750 4.350 0.000 0.000 0.261 689 E C -1.760 174.673 176.600 -0.278 0.000 0.879 689 E CA -0.580 55.770 56.400 -0.083 0.000 0.756 689 E CB 1.797 31.505 29.700 0.014 0.000 1.152 689 E HN 0.319 nan 8.360 nan 0.000 0.416 690 Y N 1.839 122.223 120.300 0.140 0.000 2.352 690 Y HA 0.297 4.847 4.550 0.000 0.000 0.339 690 Y C 0.148 176.105 175.900 0.095 0.000 0.992 690 Y CA -0.882 57.281 58.100 0.105 0.000 1.100 690 Y CB 1.583 40.129 38.460 0.142 0.000 1.192 690 Y HN 0.343 nan 8.280 nan 0.000 0.458 691 Q N 3.728 123.651 119.800 0.205 0.000 2.281 691 Q HA 0.676 5.016 4.340 0.000 0.000 0.263 691 Q C -2.243 173.871 176.000 0.190 0.000 0.989 691 Q CA -0.919 54.987 55.803 0.171 0.000 0.852 691 Q CB 2.655 31.452 28.738 0.099 0.000 1.337 691 Q HN 0.851 nan 8.270 nan 0.000 0.418 692 L N 2.668 123.987 121.223 0.160 0.000 2.455 692 L HA 0.669 5.009 4.340 0.000 0.000 0.264 692 L C -2.053 174.868 176.870 0.085 0.000 0.968 692 L CA -0.514 54.392 54.840 0.109 0.000 0.827 692 L CB 2.409 44.536 42.059 0.112 0.000 1.317 692 L HN 0.810 nan 8.230 nan 0.000 0.407 693 N N 3.227 121.931 118.700 0.007 0.000 2.504 693 N HA 0.268 5.008 4.740 0.000 0.000 0.280 693 N C -2.100 173.438 175.510 0.045 0.000 1.052 693 N CA -0.236 52.826 53.050 0.020 0.000 0.887 693 N CB 1.217 39.690 38.487 -0.024 0.000 1.323 693 N HN 0.553 nan 8.380 nan 0.000 0.509 694 Y N 2.581 122.879 120.300 -0.004 0.000 2.334 694 Y HA 0.484 5.034 4.550 0.000 0.000 0.336 694 Y C -1.117 174.810 175.900 0.045 0.000 0.960 694 Y CA -0.868 57.250 58.100 0.030 0.000 1.164 694 Y CB 0.897 39.414 38.460 0.096 0.000 1.155 694 Y HN 0.389 nan 8.280 nan 0.000 0.478 695 D N 4.500 124.597 120.400 -0.504 0.000 2.391 695 D HA 0.565 5.205 4.640 0.000 0.000 0.245 695 D C -0.605 175.368 176.300 -0.546 0.000 1.069 695 D CA -0.260 53.488 54.000 -0.421 0.000 0.831 695 D CB 1.883 42.532 40.800 -0.253 0.000 1.204 695 D HN 0.670 nan 8.370 nan 0.000 0.503 696 A N 2.420 125.016 122.820 -0.373 0.000 2.606 696 A HA 0.611 4.931 4.320 0.000 0.000 0.290 696 A C 1.294 178.854 177.584 -0.039 0.000 1.174 696 A CA 0.594 52.533 52.037 -0.163 0.000 0.958 696 A CB -0.147 18.865 19.000 0.021 0.000 1.194 696 A HN 0.869 nan 8.150 nan 0.000 0.526 697 G N -0.477 108.294 108.800 -0.049 0.000 5.452 697 G HA2 -0.379 3.581 3.960 0.000 0.000 0.310 697 G HA3 -0.379 3.581 3.960 0.000 0.000 0.310 697 G C 1.274 176.203 174.900 0.047 0.000 1.392 697 G CA 0.762 45.853 45.100 -0.016 0.000 0.942 697 G HN 0.808 nan 8.290 nan 0.000 0.776 698 V N 0.628 120.570 119.914 0.047 0.000 2.759 698 V HA 0.390 4.510 4.120 0.000 0.000 0.256 698 V C 0.986 177.193 176.094 0.187 0.000 1.080 698 V CA 2.149 64.496 62.300 0.078 0.000 1.101 698 V CB -0.459 31.368 31.823 0.007 0.000 0.698 698 V HN 0.738 nan 8.190 nan 0.000 0.477 699 F N 1.052 121.015 119.950 0.021 0.000 2.588 699 F HA 0.642 5.169 4.527 0.000 0.000 0.314 699 F C -1.055 174.807 175.800 0.104 0.000 1.134 699 F CA -1.568 56.451 58.000 0.030 0.000 0.961 699 F CB 1.672 40.660 39.000 -0.021 0.000 1.239 699 F HN 0.112 nan 8.300 nan 0.000 0.448 700 Y N 3.145 122.903 120.300 -0.903 0.000 2.562 700 Y HA 0.931 5.481 4.550 0.000 0.000 0.345 700 Y C -1.682 173.777 175.900 -0.734 0.000 1.045 700 Y CA -1.384 56.287 58.100 -0.714 0.000 1.028 700 Y CB 1.387 39.639 38.460 -0.345 0.000 1.297 700 Y HN 0.841 nan 8.280 nan 0.000 0.463 701 A N 2.253 124.896 122.820 -0.295 0.000 2.422 701 A HA 0.605 4.925 4.320 0.000 0.000 0.302 701 A C -2.083 175.534 177.584 0.055 0.000 1.041 701 A CA -0.531 51.410 52.037 -0.161 0.000 0.708 701 A CB 1.669 20.630 19.000 -0.065 0.000 1.257 701 A HN 0.818 nan 8.150 nan 0.000 0.414 702 D N 0.964 121.404 120.400 0.067 0.000 2.481 702 D HA 0.659 5.299 4.640 0.000 0.000 0.244 702 D C -1.335 175.025 176.300 0.101 0.000 1.057 702 D CA -0.122 53.937 54.000 0.098 0.000 0.848 702 D CB 1.469 42.330 40.800 0.101 0.000 1.388 702 D HN 0.482 nan 8.370 nan 0.000 0.475 703 L N 2.915 124.208 121.223 0.116 0.000 2.476 703 L HA 0.603 4.943 4.340 0.000 0.000 0.269 703 L C -1.161 175.804 176.870 0.158 0.000 0.965 703 L CA -0.228 54.698 54.840 0.144 0.000 0.845 703 L CB 1.829 43.970 42.059 0.136 0.000 1.259 703 L HN 0.635 nan 8.230 nan 0.000 0.403 704 T N 0.784 115.439 114.554 0.169 0.000 2.900 704 T HA 0.650 5.000 4.350 0.000 0.000 0.295 704 T C -1.282 173.554 174.700 0.227 0.000 1.044 704 T CA -0.641 61.551 62.100 0.154 0.000 0.995 704 T CB 1.904 70.795 68.868 0.039 0.000 1.072 704 T HN 0.535 nan 8.240 nan 0.000 0.473 705 Y N 0.738 121.106 120.300 0.113 0.000 2.521 705 Y HA 0.550 5.100 4.550 0.000 0.000 0.332 705 Y C -1.032 174.993 175.900 0.208 0.000 1.121 705 Y CA -0.514 57.657 58.100 0.119 0.000 1.037 705 Y CB 2.260 40.836 38.460 0.193 0.000 1.330 705 Y HN 1.080 nan 8.280 nan 0.000 0.452 706 T N 3.349 117.725 114.554 -0.295 0.000 2.841 706 T HA 0.327 4.677 4.350 0.000 0.000 0.285 706 T C -2.093 172.592 174.700 -0.026 0.000 0.991 706 T CA -0.423 61.666 62.100 -0.019 0.000 0.966 706 T CB 0.477 69.324 68.868 -0.036 0.000 0.962 706 T HN 0.777 nan 8.240 nan 0.000 0.438 707 H N 6.081 125.268 119.070 0.196 0.000 2.638 707 H HA 0.534 5.090 4.556 0.000 0.000 0.303 707 H C -0.008 175.382 175.328 0.103 0.000 1.034 707 H CA -0.910 55.270 56.048 0.221 0.000 1.225 707 H CB 0.422 30.426 29.762 0.405 0.000 1.394 707 H HN 0.443 nan 8.280 nan 0.000 0.477 708 M N 5.350 124.798 119.600 -0.253 0.000 2.250 708 M HA 0.287 4.767 4.480 0.000 0.000 0.344 708 M C -0.440 175.662 176.300 -0.330 0.000 1.150 708 M CA -0.207 54.963 55.300 -0.217 0.000 1.147 708 M CB 0.763 33.215 32.600 -0.245 0.000 1.498 708 M HN 0.592 nan 8.290 nan 0.000 0.461 709 I N 0.867 121.329 120.570 -0.180 0.000 2.582 709 I HA 0.754 4.924 4.170 0.000 0.000 0.292 709 I C 0.286 176.345 176.117 -0.097 0.000 1.066 709 I CA -0.513 60.718 61.300 -0.115 0.000 1.053 709 I CB 2.239 40.239 38.000 -0.000 0.000 1.241 709 I HN 0.831 nan 8.210 nan 0.000 0.421 710 G N 4.461 113.217 108.800 -0.073 0.000 2.629 710 G HA2 -0.068 3.892 3.960 0.000 0.000 0.686 710 G HA3 -0.068 3.892 3.960 0.000 0.000 0.686 710 G C -1.125 173.743 174.900 -0.053 0.000 1.232 710 G CA -0.969 44.095 45.100 -0.060 0.000 0.803 710 G HN 0.661 nan 8.290 nan 0.000 0.638 711 K N 1.229 121.616 120.400 -0.022 0.000 2.895 711 K HA 0.160 4.480 4.320 0.000 0.000 0.191 711 K C 0.580 177.168 176.600 -0.019 0.000 1.117 711 K CA -0.578 55.724 56.287 0.024 0.000 0.988 711 K CB 0.655 33.224 32.500 0.115 0.000 1.181 711 K HN 0.814 nan 8.250 nan 0.000 0.598 712 N N 1.455 120.102 118.700 -0.088 0.000 2.371 712 N HA 0.037 4.777 4.740 0.000 0.000 0.243 712 N C -0.467 175.003 175.510 -0.065 0.000 1.287 712 N CA -0.443 52.545 53.050 -0.103 0.000 0.911 712 N CB 0.864 39.234 38.487 -0.196 0.000 1.142 712 N HN 0.446 nan 8.380 nan 0.000 0.451 713 E N -0.402 119.777 120.200 -0.034 0.000 2.264 713 E HA 0.440 4.791 4.350 0.000 0.000 0.260 713 E C -1.613 175.036 176.600 0.082 0.000 0.961 713 E CA -0.983 55.425 56.400 0.013 0.000 0.834 713 E CB 1.490 31.193 29.700 0.006 0.000 1.230 713 E HN 0.560 nan 8.360 nan 0.000 0.412 714 F N 1.026 120.944 119.950 -0.053 0.000 2.477 714 F HA 0.490 5.017 4.527 0.000 0.000 0.335 714 F C -1.571 174.210 175.800 -0.032 0.000 1.130 714 F CA -0.878 57.102 58.000 -0.034 0.000 0.948 714 F CB 1.306 40.287 39.000 -0.031 0.000 1.154 714 F HN 0.564 nan 8.300 nan 0.000 0.439 715 c N 5.104 123.297 118.600 -0.677 0.000 2.346 715 c HA 0.738 5.308 4.570 0.000 0.000 0.326 715 c C -0.081 173.592 174.090 -0.695 0.000 1.224 715 c CA -0.557 55.441 56.329 -0.551 0.000 1.408 715 c CB 0.149 42.492 42.510 -0.277 0.000 2.089 715 c HN 0.930 nan 8.230 nan 0.000 0.456 716 S N 2.592 117.928 115.700 -0.607 0.000 2.798 716 S HA 0.494 4.964 4.470 0.000 0.000 0.312 716 S C 0.351 174.845 174.600 -0.177 0.000 1.122 716 S CA -0.511 57.465 58.200 -0.373 0.000 0.949 716 S CB 0.960 64.004 63.200 -0.260 0.000 1.235 716 S HN 0.571 nan 8.310 nan 0.000 0.552 717 N N 0.123 118.793 118.700 -0.052 0.000 2.325 717 N HA 0.103 4.843 4.740 0.000 0.000 0.182 717 N C 0.974 176.540 175.510 0.094 0.000 1.088 717 N CA 0.552 53.608 53.050 0.010 0.000 0.879 717 N CB -0.249 38.276 38.487 0.063 0.000 0.983 717 N HN 0.824 nan 8.380 nan 0.000 0.471 718 K N -0.477 119.990 120.400 0.112 0.000 6.035 718 K HA -0.289 4.031 4.320 0.000 0.000 0.451 718 K C 0.102 176.878 176.600 0.292 0.000 0.399 718 K CA 1.554 57.946 56.287 0.175 0.000 1.899 718 K CB -1.522 31.119 32.500 0.235 0.000 0.814 718 K HN 0.140 nan 8.250 nan 0.000 0.694 719 A N 1.307 124.299 122.820 0.288 0.000 3.181 719 A HA 0.330 4.650 4.320 0.000 0.000 0.293 719 A C -0.058 177.684 177.584 0.263 0.000 1.346 719 A CA -0.006 52.195 52.037 0.274 0.000 1.018 719 A CB -1.023 18.057 19.000 0.133 0.000 1.093 719 A HN 0.416 nan 8.150 nan 0.000 0.629 720 W N -0.523 120.779 121.300 0.003 0.000 2.226 720 W HA 0.244 4.904 4.660 0.000 0.000 0.352 720 W C 0.234 176.744 176.519 -0.015 0.000 1.277 720 W CA -0.169 57.177 57.345 0.003 0.000 1.305 720 W CB 0.125 29.606 29.460 0.034 0.000 1.193 720 W HN 0.284 nan 8.180 nan 0.000 0.596 721 L N 2.640 123.610 121.223 -0.422 0.000 5.198 721 L HA -0.223 4.117 4.340 0.000 0.000 0.414 721 L C 1.756 178.398 176.870 -0.381 0.000 0.922 721 L CA 2.363 56.878 54.840 -0.540 0.000 1.585 721 L CB -2.302 39.208 42.059 -0.916 0.000 1.671 721 L HN 1.646 nan 8.230 nan 0.000 0.621 722 G N -0.870 107.762 108.800 -0.279 0.000 2.614 722 G HA2 0.120 4.080 3.960 0.000 0.000 0.303 722 G HA3 0.120 4.080 3.960 0.000 0.000 0.303 722 G C 1.552 176.298 174.900 -0.256 0.000 1.270 722 G CA 1.272 46.252 45.100 -0.199 0.000 0.988 722 G HN 2.014 nan 8.290 nan 0.000 0.551 723 G N -1.712 106.961 108.800 -0.211 0.000 2.166 723 G HA2 -0.267 3.693 3.960 0.000 0.000 0.260 723 G HA3 -0.267 3.693 3.960 0.000 0.000 0.260 723 G C 0.601 175.355 174.900 -0.243 0.000 0.986 723 G CA 1.397 46.352 45.100 -0.240 0.000 0.683 723 G HN 1.021 nan 8.290 nan 0.000 0.527 724 R N -0.372 120.019 120.500 -0.181 0.000 2.570 724 R HA 0.420 4.760 4.340 0.000 0.000 0.277 724 R C 0.928 177.158 176.300 -0.117 0.000 1.039 724 R CA 0.181 56.194 56.100 -0.145 0.000 1.065 724 R CB 0.308 30.552 30.300 -0.092 0.000 0.964 724 R HN 0.419 nan 8.270 nan 0.000 0.428 725 L N 2.214 123.364 121.223 -0.120 0.000 2.313 725 L HA 0.645 4.985 4.340 0.000 0.000 0.268 725 L C 0.419 177.202 176.870 -0.145 0.000 1.010 725 L CA -0.923 53.847 54.840 -0.116 0.000 0.814 725 L CB 1.555 43.542 42.059 -0.119 0.000 1.304 725 L HN 0.447 nan 8.230 nan 0.000 0.441 726 R N 0.388 120.797 120.500 -0.153 0.000 2.561 726 R HA 0.318 4.658 4.340 0.000 0.000 0.266 726 R C -1.793 174.420 176.300 -0.144 0.000 1.091 726 R CA -0.710 55.298 56.100 -0.153 0.000 0.927 726 R CB 1.365 31.635 30.300 -0.050 0.000 1.240 726 R HN 0.366 nan 8.270 nan 0.000 0.449 727 Y N 1.814 122.102 120.300 -0.020 0.000 2.620 727 Y HA 0.165 4.715 4.550 0.000 0.000 0.330 727 Y C 1.443 177.285 175.900 -0.097 0.000 1.186 727 Y CA 1.508 59.567 58.100 -0.068 0.000 1.467 727 Y CB 0.708 39.132 38.460 -0.060 0.000 1.262 727 Y HN 0.794 nan 8.280 nan 0.000 0.550 728 G N 1.433 110.198 108.800 -0.058 0.000 2.580 728 G HA2 -0.013 3.947 3.960 0.000 0.000 0.225 728 G HA3 -0.013 3.947 3.960 0.000 0.000 0.225 728 G C -0.501 174.339 174.900 -0.099 0.000 1.521 728 G CA -0.476 44.609 45.100 -0.026 0.000 1.068 728 G HN 0.585 nan 8.290 nan 0.000 0.564 729 D N 0.579 120.975 120.400 -0.007 0.000 3.134 729 D HA 0.366 5.006 4.640 0.000 0.000 0.248 729 D C 0.772 177.018 176.300 -0.090 0.000 1.273 729 D CA 0.037 54.037 54.000 0.001 0.000 0.904 729 D CB 0.051 40.907 40.800 0.095 0.000 1.089 729 D HN 0.409 nan 8.370 nan 0.000 0.478 730 G N -0.108 108.485 108.800 -0.346 0.000 2.400 730 G HA2 0.511 4.471 3.960 0.000 0.000 0.301 730 G HA3 0.511 4.471 3.960 0.000 0.000 0.301 730 G C 0.124 174.846 174.900 -0.298 0.000 1.154 730 G CA -0.425 44.446 45.100 -0.382 0.000 0.852 730 G HN 0.214 nan 8.290 nan 0.000 0.511 731 S N 0.830 116.280 115.700 -0.415 0.000 2.745 731 S HA 0.442 4.912 4.470 0.000 0.000 0.306 731 S C 1.105 175.125 174.600 -0.967 0.000 1.137 731 S CA -1.004 56.914 58.200 -0.470 0.000 0.900 731 S CB 1.897 64.945 63.200 -0.254 0.000 1.176 731 S HN 0.529 nan 8.310 nan 0.000 0.520 732 R N 0.657 120.793 120.500 -0.607 0.000 2.211 732 R HA -0.090 4.250 4.340 0.000 0.000 0.240 732 R C 1.275 177.292 176.300 -0.472 0.000 1.144 732 R CA 1.135 56.932 56.100 -0.506 0.000 0.992 732 R CB -0.511 29.724 30.300 -0.109 0.000 0.869 732 R HN 0.670 nan 8.270 nan 0.000 0.462 733 R N -0.636 119.626 120.500 -0.396 0.000 3.160 733 R HA 0.045 4.386 4.340 0.000 0.000 0.266 733 R C 1.603 177.764 176.300 -0.232 0.000 1.167 733 R CA 0.305 56.267 56.100 -0.231 0.000 1.124 733 R CB -0.429 29.776 30.300 -0.158 0.000 1.034 733 R HN -0.053 nan 8.270 nan 0.000 0.536 734 G N -0.246 108.489 108.800 -0.109 0.000 2.479 734 G HA2 -0.248 3.712 3.960 0.000 0.000 0.220 734 G HA3 -0.248 3.712 3.960 0.000 0.000 0.220 734 G C 0.366 175.240 174.900 -0.044 0.000 1.115 734 G CA 0.434 45.502 45.100 -0.052 0.000 0.757 734 G HN 0.529 nan 8.290 nan 0.000 0.560 735 N N 0.603 119.250 118.700 -0.089 0.000 3.193 735 N HA 0.172 4.912 4.740 0.000 0.000 0.312 735 N C -1.225 174.232 175.510 -0.089 0.000 1.261 735 N CA -0.103 52.970 53.050 0.039 0.000 1.208 735 N CB -0.354 38.186 38.487 0.088 0.000 1.471 735 N HN 0.002 nan 8.380 nan 0.000 0.548 736 F N 2.140 122.119 119.950 0.048 0.000 2.293 736 F HA 0.257 4.784 4.527 0.000 0.000 0.370 736 F C 0.004 175.861 175.800 0.095 0.000 1.090 736 F CA -1.173 56.813 58.000 -0.023 0.000 1.133 736 F CB -0.205 38.741 39.000 -0.089 0.000 1.360 736 F HN 0.141 nan 8.300 nan 0.000 0.489 737 Y N 0.390 120.866 120.300 0.293 0.000 2.662 737 Y HA 0.912 5.462 4.550 0.000 0.000 0.335 737 Y C -1.543 174.504 175.900 0.246 0.000 1.066 737 Y CA -1.845 56.402 58.100 0.245 0.000 1.116 737 Y CB 1.081 39.639 38.460 0.164 0.000 1.308 737 Y HN -0.034 nan 8.280 nan 0.000 0.502 738 V N 1.224 121.354 119.914 0.360 0.000 2.841 738 V HA 0.406 4.526 4.120 0.000 0.000 0.310 738 V C -1.039 175.173 176.094 0.197 0.000 1.090 738 V CA -0.924 61.473 62.300 0.162 0.000 0.930 738 V CB 1.853 33.690 31.823 0.023 0.000 1.014 738 V HN 0.908 nan 8.190 nan 0.000 0.425 739 E N 4.262 124.540 120.200 0.130 0.000 2.256 739 E HA 0.640 4.990 4.350 0.000 0.000 0.267 739 E C -3.023 173.597 176.600 0.033 0.000 0.892 739 E CA -2.521 53.942 56.400 0.105 0.000 0.775 739 E CB 2.327 32.110 29.700 0.139 0.000 1.207 739 E HN 0.331 nan 8.360 nan 0.000 0.420 740 P HA -0.008 nan 4.420 nan 0.000 0.264 740 P C -0.920 176.373 177.300 -0.011 0.000 1.193 740 P CA 0.204 63.298 63.100 -0.011 0.000 0.763 740 P CB 0.358 32.051 31.700 -0.012 0.000 0.810 741 D N 2.833 123.215 120.400 -0.029 0.000 2.456 741 D HA 0.303 4.943 4.640 0.000 0.000 0.219 741 D C 1.041 177.330 176.300 -0.018 0.000 1.126 741 D CA -0.449 53.537 54.000 -0.022 0.000 0.890 741 D CB 0.479 41.257 40.800 -0.037 0.000 1.025 741 D HN 0.226 nan 8.370 nan 0.000 0.511 742 A N 3.504 126.321 122.820 -0.005 0.000 2.014 742 A HA 0.069 4.389 4.320 0.000 0.000 0.218 742 A C 2.061 179.656 177.584 0.017 0.000 1.163 742 A CA 1.408 53.445 52.037 0.001 0.000 0.652 742 A CB -0.250 18.752 19.000 0.004 0.000 0.808 742 A HN 0.581 nan 8.150 nan 0.000 0.449 743 A N -0.688 122.144 122.820 0.019 0.000 1.873 743 A HA -0.100 4.221 4.320 0.000 0.000 0.215 743 A C 2.463 180.083 177.584 0.061 0.000 1.186 743 A CA 2.022 54.083 52.037 0.040 0.000 0.616 743 A CB -0.937 18.076 19.000 0.021 0.000 0.823 743 A HN 0.538 nan 8.150 nan 0.000 0.442 744 S N -0.209 115.501 115.700 0.016 0.000 2.423 744 S HA -0.132 4.338 4.470 0.000 0.000 0.231 744 S C 1.806 176.452 174.600 0.077 0.000 1.014 744 S CA 1.336 59.545 58.200 0.014 0.000 0.965 744 S CB -0.562 62.613 63.200 -0.042 0.000 0.785 744 S HN 0.622 nan 8.310 nan 0.000 0.495 745 N N 1.733 120.459 118.700 0.043 0.000 2.216 745 N HA -0.010 4.730 4.740 0.000 0.000 0.183 745 N C 0.729 176.276 175.510 0.063 0.000 1.017 745 N CA 1.188 54.257 53.050 0.032 0.000 0.861 745 N CB -0.458 38.022 38.487 -0.012 0.000 0.986 745 N HN 0.415 nan 8.380 nan 0.000 0.428 746 D N -0.421 120.024 120.400 0.076 0.000 2.340 746 D HA 0.016 4.656 4.640 0.000 0.000 0.220 746 D C 0.041 176.402 176.300 0.102 0.000 1.039 746 D CA -0.142 53.897 54.000 0.065 0.000 0.866 746 D CB -0.357 40.471 40.800 0.047 0.000 0.913 746 D HN 0.171 nan 8.370 nan 0.000 0.523 747 F N 1.380 121.329 119.950 -0.002 0.000 2.518 747 F HA 0.181 4.708 4.527 0.000 0.000 0.359 747 F C 0.062 175.862 175.800 -0.000 0.000 1.118 747 F CA -0.166 57.835 58.000 0.001 0.000 1.287 747 F CB 0.791 39.795 39.000 0.006 0.000 1.132 747 F HN -0.271 nan 8.300 nan 0.000 0.587 748 V N 6.040 125.464 119.914 -0.816 0.000 2.686 748 V HA 0.569 4.690 4.120 0.000 0.000 0.306 748 V C -0.822 174.840 176.094 -0.721 0.000 1.065 748 V CA 0.080 62.042 62.300 -0.563 0.000 0.894 748 V CB 2.036 33.673 31.823 -0.310 0.000 1.004 748 V HN 0.975 nan 8.190 nan 0.000 0.424 749 T N 3.419 117.716 114.554 -0.429 0.000 2.888 749 T HA 0.675 5.025 4.350 0.000 0.000 0.284 749 T C -0.528 174.073 174.700 -0.166 0.000 1.017 749 T CA -0.576 61.365 62.100 -0.265 0.000 1.022 749 T CB 1.279 70.093 68.868 -0.090 0.000 1.013 749 T HN 0.809 nan 8.240 nan 0.000 0.465 750 c N 3.886 122.428 118.600 -0.097 0.000 2.340 750 c HA 0.638 5.208 4.570 0.000 0.000 0.323 750 c C 0.559 174.672 174.090 0.038 0.000 1.260 750 c CA -0.068 56.231 56.329 -0.049 0.000 1.464 750 c CB -0.163 42.312 42.510 -0.058 0.000 2.156 750 c HN 1.170 nan 8.230 nan 0.000 0.476 751 D N 1.929 122.398 120.400 0.115 0.000 3.685 751 D HA -0.221 4.419 4.640 0.000 0.000 0.152 751 D C 1.384 177.720 176.300 0.060 0.000 0.966 751 D CA 2.395 56.477 54.000 0.137 0.000 1.085 751 D CB -1.244 39.640 40.800 0.141 0.000 0.521 751 D HN 1.545 nan 8.370 nan 0.000 0.543 752 G N 0.190 109.039 108.800 0.082 0.000 2.166 752 G HA2 0.108 4.068 3.960 0.000 0.000 0.260 752 G HA3 0.108 4.068 3.960 0.000 0.000 0.260 752 G C 1.079 175.563 174.900 -0.694 0.000 0.986 752 G CA 1.305 46.364 45.100 -0.067 0.000 0.683 752 G HN 1.820 nan 8.290 nan 0.000 0.527 753 G N -1.739 106.566 108.800 -0.824 0.000 2.149 753 G HA2 0.042 4.002 3.960 0.000 0.000 0.235 753 G HA3 0.042 4.002 3.960 0.000 0.000 0.235 753 G C 1.103 175.831 174.900 -0.286 0.000 1.018 753 G CA 1.588 46.163 45.100 -0.876 0.000 0.728 753 G HN 2.203 nan 8.290 nan 0.000 0.508 754 T N -3.571 110.903 114.554 -0.134 0.000 3.014 754 T HA 0.208 4.558 4.350 0.000 0.000 0.250 754 T C 1.789 176.466 174.700 -0.038 0.000 1.060 754 T CA 1.228 63.306 62.100 -0.036 0.000 1.040 754 T CB 0.206 69.099 68.868 0.041 0.000 0.971 754 T HN 0.395 nan 8.240 nan 0.000 0.497 755 Q N 0.528 120.254 119.800 -0.123 0.000 2.084 755 Q HA -0.044 4.296 4.340 0.000 0.000 0.202 755 Q C 0.457 176.275 176.000 -0.303 0.000 0.978 755 Q CA 1.047 56.561 55.803 -0.480 0.000 0.844 755 Q CB -0.499 27.950 28.738 -0.481 0.000 0.898 755 Q HN 0.589 nan 8.270 nan 0.000 0.426 756 F N -0.870 118.915 119.950 -0.275 0.000 2.943 756 F HA -0.264 4.263 4.527 0.000 0.000 0.258 756 F C -0.251 175.262 175.800 -0.478 0.000 0.995 756 F CA 0.415 58.312 58.000 -0.172 0.000 0.896 756 F CB -0.866 38.078 39.000 -0.093 0.000 0.821 756 F HN 0.174 nan 8.300 nan 0.000 0.828 757 G N 0.055 108.185 108.800 -1.118 0.000 2.698 757 G HA2 0.409 4.369 3.960 0.000 0.000 0.293 757 G HA3 0.409 4.369 3.960 0.000 0.000 0.293 757 G C 0.253 174.427 174.900 -1.211 0.000 1.437 757 G CA -0.223 44.242 45.100 -1.057 0.000 0.852 757 G HN 0.568 nan 8.290 nan 0.000 0.499 758 S N -0.200 115.119 115.700 -0.635 0.000 2.442 758 S HA -0.029 4.441 4.470 0.000 0.000 0.236 758 S C 2.132 176.777 174.600 0.075 0.000 1.007 758 S CA 1.536 59.644 58.200 -0.153 0.000 0.965 758 S CB -0.029 63.184 63.200 0.021 0.000 0.773 758 S HN 1.471 nan 8.310 nan 0.000 0.504 759 A N 0.833 123.679 122.820 0.043 0.000 2.261 759 A HA 0.678 4.998 4.320 0.000 0.000 0.208 759 A C 2.072 179.690 177.584 0.058 0.000 1.223 759 A CA 0.610 52.753 52.037 0.177 0.000 0.833 759 A CB -0.904 18.281 19.000 0.307 0.000 0.830 759 A HN 0.677 nan 8.150 nan 0.000 0.483 760 A N -1.147 121.651 122.820 -0.035 0.000 2.015 760 A HA 0.236 4.556 4.320 0.000 0.000 0.219 760 A C 0.572 177.990 177.584 -0.277 0.000 1.163 760 A CA 0.899 52.837 52.037 -0.165 0.000 0.646 760 A CB -0.218 18.702 19.000 -0.133 0.000 0.806 760 A HN 0.522 nan 8.150 nan 0.000 0.448 761 Y N -2.821 117.636 120.300 0.263 0.000 2.609 761 Y HA 0.582 5.132 4.550 0.000 0.000 0.342 761 Y C -0.542 175.561 175.900 0.339 0.000 1.058 761 Y CA -1.267 57.044 58.100 0.352 0.000 1.055 761 Y CB 1.217 40.011 38.460 0.556 0.000 1.292 761 Y HN -0.041 nan 8.280 nan 0.000 0.476 762 L N 3.402 124.844 121.223 0.366 0.000 2.357 762 L HA 0.539 4.879 4.340 0.000 0.000 0.273 762 L C -2.317 174.486 176.870 -0.113 0.000 1.080 762 L CA -2.053 52.819 54.840 0.054 0.000 0.803 762 L CB 0.271 42.290 42.059 -0.066 0.000 1.174 762 L HN 0.351 nan 8.230 nan 0.000 0.443 763 P HA 0.091 nan 4.420 nan 0.000 0.266 763 P C 0.047 176.951 177.300 -0.660 0.000 1.193 763 P CA -0.064 62.443 63.100 -0.989 0.000 0.770 763 P CB 0.408 30.815 31.700 -2.156 0.000 0.836 764 G N 1.487 110.024 108.800 -0.438 0.000 2.653 764 G HA2 0.156 4.116 3.960 0.000 0.000 0.265 764 G HA3 0.156 4.116 3.960 0.000 0.000 0.265 764 G C -0.606 174.175 174.900 -0.198 0.000 1.237 764 G CA -0.417 44.556 45.100 -0.212 0.000 0.946 764 G HN 0.364 nan 8.290 nan 0.000 0.522 765 D N -0.439 119.881 120.400 -0.133 0.000 2.345 765 D HA 0.519 5.159 4.640 0.000 0.000 0.247 765 D C 0.678 176.836 176.300 -0.236 0.000 1.108 765 D CA 0.373 54.267 54.000 -0.176 0.000 0.894 765 D CB 1.062 41.825 40.800 -0.063 0.000 1.203 765 D HN 0.625 nan 8.370 nan 0.000 0.430 766 R N -0.326 119.884 120.500 -0.483 0.000 2.687 766 R HA 0.725 5.065 4.340 0.000 0.000 0.265 766 R C -0.871 174.928 176.300 -0.836 0.000 1.048 766 R CA -1.154 54.579 56.100 -0.611 0.000 0.884 766 R CB 0.806 30.900 30.300 -0.344 0.000 1.258 766 R HN 0.505 nan 8.270 nan 0.000 0.469 767 G N 0.195 108.353 108.800 -1.070 0.000 2.827 767 G HA2 0.677 4.637 3.960 0.000 0.000 0.296 767 G HA3 0.677 4.637 3.960 0.000 0.000 0.296 767 G C -1.383 173.118 174.900 -0.665 0.000 1.362 767 G CA -0.359 44.304 45.100 -0.730 0.000 0.809 767 G HN 0.974 nan 8.290 nan 0.000 0.522 768 S N -2.406 113.238 115.700 -0.095 0.000 2.618 768 S HA 0.808 5.279 4.470 0.000 0.000 0.277 768 S C -1.513 173.261 174.600 0.290 0.000 1.138 768 S CA -0.701 57.575 58.200 0.128 0.000 0.844 768 S CB 1.861 65.068 63.200 0.013 0.000 1.127 768 S HN 1.970 nan 8.310 nan 0.000 0.474 769 V N 1.696 121.755 119.914 0.240 0.000 2.697 769 V HA 0.745 4.865 4.120 0.000 0.000 0.300 769 V C -0.732 175.431 176.094 0.115 0.000 1.115 769 V CA 0.444 62.844 62.300 0.167 0.000 0.912 769 V CB 1.513 33.422 31.823 0.143 0.000 1.024 769 V HN 1.503 nan 8.190 nan 0.000 0.431 770 T N 5.355 119.962 114.554 0.089 0.000 2.856 770 T HA 0.797 5.147 4.350 0.000 0.000 0.283 770 T C -0.800 173.887 174.700 -0.022 0.000 1.008 770 T CA -0.707 61.440 62.100 0.077 0.000 0.997 770 T CB 1.634 70.567 68.868 0.109 0.000 0.992 770 T HN 0.694 nan 8.240 nan 0.000 0.454 771 L N 2.982 124.171 121.223 -0.056 0.000 2.442 771 L HA 0.615 4.955 4.340 0.000 0.000 0.261 771 L C 0.699 177.370 176.870 -0.331 0.000 1.000 771 L CA -0.860 53.865 54.840 -0.190 0.000 0.882 771 L CB 1.247 43.309 42.059 0.005 0.000 1.207 771 L HN 1.008 nan 8.230 nan 0.000 0.443 772 G N 0.875 109.172 108.800 -0.839 0.000 2.491 772 G HA2 0.777 4.737 3.960 0.000 0.000 0.327 772 G HA3 0.777 4.737 3.960 0.000 0.000 0.327 772 G C -0.591 173.958 174.900 -0.586 0.000 1.189 772 G CA -0.668 43.916 45.100 -0.860 0.000 0.956 772 G HN 0.560 nan 8.290 nan 0.000 0.491 773 G N -0.228 108.498 108.800 -0.122 0.000 2.684 773 G HA2 0.542 4.502 3.960 0.000 0.000 0.289 773 G HA3 0.542 4.502 3.960 0.000 0.000 0.289 773 G C -0.792 174.205 174.900 0.162 0.000 1.416 773 G CA -0.841 44.307 45.100 0.080 0.000 1.235 773 G HN 0.600 nan 8.290 nan 0.000 0.576 774 R N 0.721 121.336 120.500 0.192 0.000 2.428 774 R HA 0.825 5.165 4.340 0.000 0.000 0.294 774 R C 0.062 176.442 176.300 0.134 0.000 1.000 774 R CA -0.258 55.941 56.100 0.166 0.000 0.960 774 R CB 1.981 32.361 30.300 0.134 0.000 1.076 774 R HN 0.725 nan 8.270 nan 0.000 0.475 775 A N 1.408 124.336 122.820 0.180 0.000 2.535 775 A HA 0.618 4.938 4.320 0.000 0.000 0.296 775 A C -1.113 176.640 177.584 0.281 0.000 1.248 775 A CA -0.867 51.264 52.037 0.157 0.000 0.686 775 A CB 0.370 19.463 19.000 0.155 0.000 1.315 775 A HN 0.684 nan 8.150 nan 0.000 0.460 776 F N 0.434 120.427 119.950 0.072 0.000 2.526 776 F HA -0.155 4.372 4.527 0.000 0.000 0.225 776 F C 0.659 176.498 175.800 0.065 0.000 1.031 776 F CA 1.742 59.797 58.000 0.091 0.000 0.915 776 F CB -1.075 38.029 39.000 0.174 0.000 0.952 776 F HN 0.858 nan 8.300 nan 0.000 0.834 777 D N 0.397 120.870 120.400 0.122 0.000 2.800 777 D HA -0.292 4.348 4.640 0.000 0.000 0.232 777 D C 1.010 177.345 176.300 0.059 0.000 1.137 777 D CA 1.631 55.677 54.000 0.076 0.000 0.718 777 D CB -0.460 40.390 40.800 0.083 0.000 1.084 777 D HN 0.761 nan 8.370 nan 0.000 0.432 778 R N -1.530 119.009 120.500 0.064 0.000 3.951 778 R HA -0.235 4.105 4.340 0.000 0.000 0.352 778 R C -0.814 175.513 176.300 0.044 0.000 1.178 778 R CA 1.818 57.945 56.100 0.045 0.000 0.949 778 R CB -1.346 28.963 30.300 0.014 0.000 1.452 778 R HN 0.230 nan 8.270 nan 0.000 0.540 779 K N 0.507 120.950 120.400 0.072 0.000 2.895 779 K HA 0.369 4.689 4.320 0.000 0.000 0.191 779 K C -1.206 175.447 176.600 0.088 0.000 1.117 779 K CA -0.363 55.939 56.287 0.025 0.000 0.988 779 K CB 0.334 32.782 32.500 -0.087 0.000 1.181 779 K HN 0.129 nan 8.250 nan 0.000 0.598 780 L N 1.919 123.252 121.223 0.183 0.000 3.088 780 L HA 0.286 4.626 4.340 0.000 0.000 0.337 780 L C -0.917 176.072 176.870 0.198 0.000 1.293 780 L CA -0.219 54.776 54.840 0.258 0.000 0.784 780 L CB 0.747 43.028 42.059 0.369 0.000 1.215 780 L HN 0.421 nan 8.230 nan 0.000 0.581 781 D N 2.755 123.262 120.400 0.178 0.000 2.455 781 D HA 0.333 4.973 4.640 0.000 0.000 0.265 781 D C -0.076 176.335 176.300 0.185 0.000 1.284 781 D CA 0.836 54.966 54.000 0.217 0.000 0.944 781 D CB 0.724 41.660 40.800 0.228 0.000 1.121 781 D HN 0.470 nan 8.370 nan 0.000 0.525 782 A N 2.578 125.433 122.820 0.057 0.000 2.459 782 A HA 0.778 5.098 4.320 0.000 0.000 0.296 782 A C 0.018 177.342 177.584 -0.433 0.000 1.039 782 A CA 0.004 51.907 52.037 -0.222 0.000 0.698 782 A CB 1.874 20.812 19.000 -0.103 0.000 1.261 782 A HN 0.614 nan 8.150 nan 0.000 0.405 783 G N -0.830 107.346 108.800 -1.039 0.000 2.677 783 G HA2 0.705 4.665 3.960 0.000 0.000 0.283 783 G HA3 0.705 4.665 3.960 0.000 0.000 0.283 783 G C -1.545 173.015 174.900 -0.567 0.000 1.221 783 G CA 0.229 44.926 45.100 -0.671 0.000 0.851 783 G HN 2.015 nan 8.290 nan 0.000 0.504 784 V N -0.212 119.645 119.914 -0.095 0.000 2.777 784 V HA 0.762 4.882 4.120 0.000 0.000 0.306 784 V C -1.018 175.223 176.094 0.244 0.000 1.112 784 V CA -0.265 62.113 62.300 0.130 0.000 0.917 784 V CB 1.945 33.833 31.823 0.108 0.000 1.018 784 V HN 0.920 nan 8.190 nan 0.000 0.426 785 T N 5.862 120.579 114.554 0.273 0.000 2.797 785 T HA 0.608 4.958 4.350 0.000 0.000 0.279 785 T C -0.681 174.087 174.700 0.113 0.000 0.991 785 T CA -0.323 61.883 62.100 0.176 0.000 0.979 785 T CB 1.516 70.459 68.868 0.125 0.000 0.943 785 T HN 0.589 nan 8.240 nan 0.000 0.444 786 V N 4.830 124.790 119.914 0.077 0.000 2.313 786 V HA 0.383 4.503 4.120 0.000 0.000 0.278 786 V C 0.155 176.298 176.094 0.083 0.000 1.017 786 V CA -0.889 61.395 62.300 -0.028 0.000 0.823 786 V CB 0.799 32.567 31.823 -0.091 0.000 1.010 786 V HN 0.708 nan 8.190 nan 0.000 0.443 787 R N 5.329 125.831 120.500 0.003 0.000 2.210 787 R HA 0.594 4.934 4.340 0.000 0.000 0.338 787 R C -0.549 175.794 176.300 0.072 0.000 1.062 787 R CA -0.042 56.071 56.100 0.022 0.000 0.902 787 R CB 0.568 30.867 30.300 -0.000 0.000 1.050 787 R HN 0.714 nan 8.270 nan 0.000 0.461 788 F N -0.011 119.866 119.950 -0.121 0.000 2.620 788 F HA 0.927 5.454 4.527 0.000 0.000 0.320 788 F C -0.965 174.623 175.800 -0.354 0.000 1.069 788 F CA -1.474 56.386 58.000 -0.233 0.000 0.953 788 F CB 1.809 40.721 39.000 -0.147 0.000 1.322 788 F HN 0.414 nan 8.300 nan 0.000 0.479 789 A N 2.196 124.768 122.820 -0.414 0.000 2.488 789 A HA 0.669 4.989 4.320 0.000 0.000 0.295 789 A C -2.722 174.809 177.584 -0.088 0.000 1.045 789 A CA -1.508 50.290 52.037 -0.398 0.000 0.703 789 A CB 1.387 19.939 19.000 -0.747 0.000 1.271 789 A HN 0.516 nan 8.150 nan 0.000 0.400 790 P HA 0.157 nan 4.420 nan 0.000 0.218 790 P C 0.772 178.149 177.300 0.129 0.000 1.149 790 P CA 1.881 65.073 63.100 0.154 0.000 0.817 790 P CB 0.205 32.036 31.700 0.218 0.000 0.785 791 G N -1.154 107.728 108.800 0.137 0.000 3.069 791 G HA2 0.005 3.965 3.960 0.000 0.000 0.686 791 G HA3 0.005 3.965 3.960 0.000 0.000 0.686 791 G C -1.898 173.176 174.900 0.290 0.000 1.161 791 G CA -0.871 44.352 45.100 0.204 0.000 0.804 791 G HN 0.135 nan 8.290 nan 0.000 0.608 792 Y N 2.399 122.814 120.300 0.191 0.000 2.331 792 Y HA 0.715 5.265 4.550 0.000 0.000 0.326 792 Y C -0.426 175.557 175.900 0.139 0.000 1.020 792 Y CA -0.870 57.337 58.100 0.179 0.000 1.136 792 Y CB 1.528 40.125 38.460 0.229 0.000 1.157 792 Y HN 0.740 nan 8.280 nan 0.000 0.444 793 Q N 3.920 123.526 119.800 -0.324 0.000 2.372 793 Q HA 0.324 4.665 4.340 0.000 0.000 0.273 793 Q C -1.897 173.812 176.000 -0.486 0.000 1.078 793 Q CA -1.074 54.455 55.803 -0.457 0.000 0.806 793 Q CB 2.619 31.225 28.738 -0.220 0.000 1.332 793 Q HN 0.611 nan 8.270 nan 0.000 0.435 794 D N 0.212 120.294 120.400 -0.530 0.000 2.453 794 D HA 0.270 4.910 4.640 0.000 0.000 0.238 794 D C -0.357 175.798 176.300 -0.242 0.000 1.088 794 D CA -0.260 53.547 54.000 -0.322 0.000 0.854 794 D CB 1.396 42.025 40.800 -0.285 0.000 1.076 794 D HN 0.391 nan 8.370 nan 0.000 0.533 795 S N 0.831 116.434 115.700 -0.163 0.000 2.535 795 S HA -0.054 4.416 4.470 0.000 0.000 0.214 795 S C 1.742 176.269 174.600 -0.122 0.000 0.980 795 S CA 0.108 58.220 58.200 -0.148 0.000 0.907 795 S CB 0.204 63.334 63.200 -0.116 0.000 0.790 795 S HN 0.557 nan 8.310 nan 0.000 0.510 796 S N 1.438 117.080 115.700 -0.096 0.000 2.555 796 S HA 0.070 4.540 4.470 0.000 0.000 0.230 796 S C 0.666 175.192 174.600 -0.123 0.000 0.978 796 S CA -0.017 58.139 58.200 -0.073 0.000 0.934 796 S CB -0.677 62.509 63.200 -0.025 0.000 0.766 796 S HN 0.361 nan 8.310 nan 0.000 0.533 797 V N -2.055 117.730 119.914 -0.216 0.000 2.628 797 V HA 0.713 4.833 4.120 0.000 0.000 0.306 797 V C -3.102 172.726 176.094 -0.444 0.000 1.045 797 V CA -2.987 59.046 62.300 -0.445 0.000 0.905 797 V CB 0.944 32.332 31.823 -0.725 0.000 0.997 797 V HN -0.092 nan 8.190 nan 0.000 0.436 798 P HA 0.236 nan 4.420 nan 0.000 0.268 798 P C 0.699 177.894 177.300 -0.175 0.000 1.208 798 P CA 0.085 63.070 63.100 -0.192 0.000 0.777 798 P CB 0.619 32.322 31.700 0.005 0.000 0.875 799 S N 0.741 116.391 115.700 -0.082 0.000 2.561 799 S HA -0.082 4.389 4.470 0.000 0.000 0.225 799 S C 1.331 175.941 174.600 0.017 0.000 0.977 799 S CA 0.480 58.641 58.200 -0.066 0.000 0.926 799 S CB -0.786 62.363 63.200 -0.085 0.000 0.769 799 S HN 0.627 nan 8.310 nan 0.000 0.533 800 N N 0.347 119.106 118.700 0.099 0.000 2.494 800 N HA -0.086 4.654 4.740 0.000 0.000 0.182 800 N C -0.195 175.443 175.510 0.214 0.000 1.076 800 N CA 0.227 53.351 53.050 0.123 0.000 0.908 800 N CB -0.743 37.809 38.487 0.109 0.000 0.967 800 N HN 0.232 nan 8.380 nan 0.000 0.449 801 Y N 1.508 121.819 120.300 0.018 0.000 2.702 801 Y HA 0.094 4.644 4.550 0.000 0.000 0.336 801 Y C -0.951 174.986 175.900 0.061 0.000 1.235 801 Y CA -1.703 56.435 58.100 0.064 0.000 1.492 801 Y CB -0.146 38.367 38.460 0.088 0.000 1.308 801 Y HN 0.015 nan 8.280 nan 0.000 0.589 802 P HA -0.134 nan 4.420 nan 0.000 0.215 802 P C -0.746 176.548 177.300 -0.011 0.000 1.157 802 P CA 1.637 64.842 63.100 0.175 0.000 0.863 802 P CB 0.172 32.166 31.700 0.491 0.000 0.787 803 Y N -0.873 119.486 120.300 0.098 0.000 2.328 803 Y HA 0.428 4.978 4.550 0.000 0.000 0.336 803 Y C 0.345 176.378 175.900 0.222 0.000 0.960 803 Y CA -0.947 57.214 58.100 0.102 0.000 1.134 803 Y CB 1.065 39.584 38.460 0.099 0.000 1.166 803 Y HN -0.256 nan 8.280 nan 0.000 0.464 804 L N 2.539 123.799 121.223 0.062 0.000 2.319 804 L HA 0.811 5.151 4.340 0.000 0.000 0.267 804 L C -0.145 176.256 176.870 -0.782 0.000 1.011 804 L CA -1.333 53.378 54.840 -0.215 0.000 0.818 804 L CB 1.899 43.781 42.059 -0.295 0.000 1.316 804 L HN 0.644 nan 8.230 nan 0.000 0.432 805 A N 0.729 122.769 122.820 -1.301 0.000 2.880 805 A HA 0.370 4.690 4.320 0.000 0.000 0.328 805 A C -0.664 176.136 177.584 -1.308 0.000 1.440 805 A CA -0.076 50.975 52.037 -1.643 0.000 1.068 805 A CB -0.415 17.589 19.000 -1.661 0.000 1.163 805 A HN 0.598 nan 8.150 nan 0.000 0.510 806 D N 2.371 121.862 120.400 -1.516 0.000 2.441 806 D HA 0.253 4.893 4.640 0.000 0.000 0.287 806 D C -1.135 174.706 176.300 -0.765 0.000 1.198 806 D CA -0.121 53.356 54.000 -0.872 0.000 0.894 806 D CB 0.066 40.515 40.800 -0.585 0.000 1.070 806 D HN 0.519 nan 8.370 nan 0.000 0.499 807 W N 3.834 125.118 121.300 -0.026 0.000 2.433 807 W HA 0.298 4.958 4.660 0.000 0.000 0.288 807 W C -2.522 174.087 176.519 0.150 0.000 0.986 807 W CA -1.844 55.565 57.345 0.108 0.000 1.680 807 W CB 0.649 30.216 29.460 0.177 0.000 1.615 807 W HN 0.131 nan 8.180 nan 0.000 0.416 808 P HA -0.032 nan 4.420 nan 0.000 0.270 808 P C 0.371 177.859 177.300 0.314 0.000 1.227 808 P CA 0.265 63.508 63.100 0.237 0.000 0.788 808 P CB 0.837 32.651 31.700 0.191 0.000 0.926 809 K N 1.422 121.954 120.400 0.220 0.000 2.380 809 K HA 0.234 4.554 4.320 0.000 0.000 0.267 809 K C -0.756 175.996 176.600 0.253 0.000 0.990 809 K CA 0.056 56.435 56.287 0.155 0.000 0.946 809 K CB -0.081 32.490 32.500 0.117 0.000 0.937 809 K HN 0.557 nan 8.250 nan 0.000 0.491 810 Y N -2.787 117.606 120.300 0.154 0.000 2.521 810 Y HA 0.385 4.935 4.550 0.000 0.000 0.332 810 Y C -1.710 174.219 175.900 0.048 0.000 1.121 810 Y CA -1.115 57.049 58.100 0.106 0.000 1.037 810 Y CB 1.467 39.997 38.460 0.117 0.000 1.330 810 Y HN 0.558 nan 8.280 nan 0.000 0.452 811 T N 5.339 119.999 114.554 0.176 0.000 2.892 811 T HA 0.601 4.951 4.350 0.000 0.000 0.311 811 T C -0.688 173.939 174.700 -0.122 0.000 1.033 811 T CA -0.541 61.562 62.100 0.005 0.000 0.991 811 T CB 0.417 69.266 68.868 -0.032 0.000 0.981 811 T HN 0.650 nan 8.240 nan 0.000 0.457 812 L N 2.897 123.995 121.223 -0.209 0.000 2.331 812 L HA 0.696 5.036 4.340 0.000 0.000 0.275 812 L C -0.905 175.717 176.870 -0.413 0.000 1.022 812 L CA -1.063 53.643 54.840 -0.223 0.000 0.812 812 L CB 1.234 43.160 42.059 -0.221 0.000 1.257 812 L HN 0.523 nan 8.230 nan 0.000 0.435 813 F N 0.266 120.240 119.950 0.041 0.000 2.460 813 F HA 0.343 4.870 4.527 0.000 0.000 0.341 813 F C -0.506 175.327 175.800 0.055 0.000 1.130 813 F CA -0.771 57.261 58.000 0.052 0.000 0.962 813 F CB 1.575 40.600 39.000 0.043 0.000 1.171 813 F HN 0.347 nan 8.300 nan 0.000 0.436 814 D N 4.550 125.078 120.400 0.213 0.000 2.381 814 D HA 0.464 5.104 4.640 0.000 0.000 0.235 814 D C -0.344 176.095 176.300 0.231 0.000 1.068 814 D CA -0.190 53.919 54.000 0.181 0.000 0.832 814 D CB 1.597 42.475 40.800 0.131 0.000 1.101 814 D HN 0.291 nan 8.370 nan 0.000 0.515 815 L N 2.419 123.755 121.223 0.188 0.000 2.399 815 L HA 0.600 4.940 4.340 0.000 0.000 0.265 815 L C -0.630 176.377 176.870 0.229 0.000 1.089 815 L CA -1.080 53.846 54.840 0.143 0.000 0.802 815 L CB 0.612 42.709 42.059 0.063 0.000 1.180 815 L HN 0.452 nan 8.230 nan 0.000 0.454 816 Y N 0.158 120.491 120.300 0.054 0.000 2.521 816 Y HA 0.796 5.346 4.550 0.000 0.000 0.328 816 Y C -1.263 174.674 175.900 0.061 0.000 1.151 816 Y CA -1.123 57.010 58.100 0.056 0.000 1.054 816 Y CB 1.151 39.645 38.460 0.057 0.000 1.338 816 Y HN 0.620 nan 8.280 nan 0.000 0.453 817 A N 1.814 124.726 122.820 0.153 0.000 2.498 817 A HA 0.885 5.205 4.320 0.000 0.000 0.298 817 A C -1.205 176.487 177.584 0.180 0.000 1.075 817 A CA -0.427 51.667 52.037 0.096 0.000 0.714 817 A CB 1.883 20.906 19.000 0.038 0.000 1.299 817 A HN 1.292 nan 8.150 nan 0.000 0.407 818 S N -0.027 115.780 115.700 0.178 0.000 2.603 818 S HA 0.601 5.071 4.470 0.000 0.000 0.274 818 S C -2.111 172.612 174.600 0.204 0.000 1.168 818 S CA -0.276 58.032 58.200 0.181 0.000 0.963 818 S CB 0.866 64.171 63.200 0.174 0.000 1.078 818 S HN 1.214 nan 8.310 nan 0.000 0.477 819 Y N 3.562 123.888 120.300 0.043 0.000 2.386 819 Y HA 0.495 5.045 4.550 0.000 0.000 0.334 819 Y C -0.627 175.290 175.900 0.029 0.000 1.002 819 Y CA -0.631 57.480 58.100 0.019 0.000 1.068 819 Y CB 1.385 39.830 38.460 -0.025 0.000 1.203 819 Y HN 0.587 nan 8.280 nan 0.000 0.443 820 K N 6.744 126.834 120.400 -0.518 0.000 2.219 820 K HA 0.092 4.412 4.320 0.000 0.000 0.280 820 K C 0.548 176.882 176.600 -0.444 0.000 1.104 820 K CA -0.197 55.882 56.287 -0.347 0.000 0.925 820 K CB 0.970 33.321 32.500 -0.249 0.000 1.261 820 K HN 0.745 nan 8.250 nan 0.000 0.445 821 L N 2.672 123.849 121.223 -0.076 0.000 2.042 821 L HA -0.193 4.147 4.340 0.000 0.000 0.210 821 L C 1.278 178.166 176.870 0.030 0.000 1.076 821 L CA 1.872 56.773 54.840 0.101 0.000 0.749 821 L CB -0.223 41.937 42.059 0.168 0.000 0.893 821 L HN 0.772 nan 8.230 nan 0.000 0.432 822 T N -7.159 107.400 114.554 0.009 0.000 2.626 822 T HA 0.245 4.595 4.350 0.000 0.000 0.279 822 T C 0.479 175.168 174.700 -0.020 0.000 0.983 822 T CA -0.273 61.834 62.100 0.012 0.000 1.059 822 T CB 0.484 69.391 68.868 0.064 0.000 1.396 822 T HN -0.095 nan 8.240 nan 0.000 0.519 823 D N 0.224 120.618 120.400 -0.010 0.000 2.312 823 D HA 0.124 4.764 4.640 0.000 0.000 0.211 823 D C 1.679 177.951 176.300 -0.046 0.000 0.964 823 D CA 0.904 54.887 54.000 -0.030 0.000 0.877 823 D CB 0.024 40.813 40.800 -0.019 0.000 0.924 823 D HN 0.451 nan 8.370 nan 0.000 0.515 824 S N -0.628 115.048 115.700 -0.040 0.000 2.613 824 S HA 0.129 4.599 4.470 0.000 0.000 0.235 824 S C 0.581 175.163 174.600 -0.031 0.000 1.073 824 S CA -0.485 57.628 58.200 -0.145 0.000 0.899 824 S CB 1.208 64.201 63.200 -0.346 0.000 0.818 824 S HN 0.100 nan 8.310 nan 0.000 0.484 825 L N 4.022 125.313 121.223 0.113 0.000 2.283 825 L HA 0.447 4.787 4.340 0.000 0.000 0.287 825 L C -1.079 175.856 176.870 0.109 0.000 1.073 825 L CA 0.810 55.765 54.840 0.192 0.000 0.822 825 L CB 0.256 42.441 42.059 0.209 0.000 1.186 825 L HN 0.092 nan 8.230 nan 0.000 0.436 826 T N 6.650 121.276 114.554 0.119 0.000 2.864 826 T HA 0.453 4.803 4.350 0.000 0.000 0.299 826 T C -0.158 174.621 174.700 0.132 0.000 1.011 826 T CA -0.434 61.722 62.100 0.093 0.000 0.975 826 T CB 1.153 70.059 68.868 0.063 0.000 0.962 826 T HN 0.534 nan 8.240 nan 0.000 0.448 827 L N 2.197 123.504 121.223 0.140 0.000 2.329 827 L HA 0.927 5.267 4.340 0.000 0.000 0.279 827 L C -0.215 176.742 176.870 0.144 0.000 1.014 827 L CA -1.172 53.752 54.840 0.140 0.000 0.814 827 L CB 1.390 43.524 42.059 0.125 0.000 1.257 827 L HN 0.593 nan 8.230 nan 0.000 0.424 828 R N 1.713 122.295 120.500 0.136 0.000 2.808 828 R HA 0.971 5.311 4.340 0.000 0.000 0.272 828 R C -0.665 175.708 176.300 0.121 0.000 0.995 828 R CA -0.793 55.389 56.100 0.137 0.000 0.917 828 R CB 1.916 32.304 30.300 0.146 0.000 1.217 828 R HN 0.822 nan 8.270 nan 0.000 0.471 829 G N -0.266 108.606 108.800 0.120 0.000 2.733 829 G HA2 0.685 4.645 3.960 0.000 0.000 0.288 829 G HA3 0.685 4.645 3.960 0.000 0.000 0.288 829 G C -1.291 173.685 174.900 0.127 0.000 1.373 829 G CA -0.590 44.572 45.100 0.103 0.000 0.895 829 G HN 0.886 nan 8.290 nan 0.000 0.479 830 S N -2.316 113.450 115.700 0.110 0.000 2.627 830 S HA 0.656 5.126 4.470 0.000 0.000 0.268 830 S C -1.841 172.818 174.600 0.099 0.000 1.130 830 S CA -0.719 57.560 58.200 0.130 0.000 0.819 830 S CB 1.709 64.995 63.200 0.143 0.000 1.100 830 S HN 1.215 nan 8.310 nan 0.000 0.465 831 V N 2.063 122.041 119.914 0.108 0.000 2.524 831 V HA 0.416 4.536 4.120 0.000 0.000 0.297 831 V C 0.842 176.994 176.094 0.095 0.000 1.035 831 V CA -0.591 61.762 62.300 0.090 0.000 0.867 831 V CB 1.471 33.343 31.823 0.081 0.000 1.004 831 V HN 0.978 nan 8.190 nan 0.000 0.426 832 E N 2.973 123.219 120.200 0.077 0.000 1.995 832 E HA -0.169 4.181 4.350 0.000 0.000 0.207 832 E C 0.812 177.461 176.600 0.081 0.000 1.016 832 E CA 1.371 57.811 56.400 0.066 0.000 0.865 832 E CB 0.127 29.854 29.700 0.045 0.000 0.797 832 E HN 0.717 nan 8.360 nan 0.000 0.491 833 N N 1.307 120.062 118.700 0.090 0.000 2.816 833 N HA 0.022 4.762 4.740 0.000 0.000 0.236 833 N C 1.034 176.618 175.510 0.124 0.000 1.076 833 N CA -0.339 52.775 53.050 0.106 0.000 0.902 833 N CB 0.474 39.032 38.487 0.118 0.000 1.149 833 N HN 0.070 nan 8.380 nan 0.000 0.506 834 L N 2.748 124.059 121.223 0.147 0.000 2.012 834 L HA -0.144 4.196 4.340 0.000 0.000 0.210 834 L C 2.067 179.001 176.870 0.106 0.000 1.073 834 L CA 2.156 57.068 54.840 0.119 0.000 0.748 834 L CB -1.126 41.005 42.059 0.121 0.000 0.891 834 L HN 0.609 nan 8.230 nan 0.000 0.431 835 T N -2.936 111.714 114.554 0.161 0.000 3.148 835 T HA -0.053 4.297 4.350 0.000 0.000 0.253 835 T C 1.014 175.789 174.700 0.125 0.000 1.134 835 T CA 0.395 62.578 62.100 0.137 0.000 1.051 835 T CB -0.562 68.438 68.868 0.221 0.000 0.959 835 T HN 0.425 nan 8.240 nan 0.000 0.525 836 N N 1.503 120.280 118.700 0.128 0.000 2.696 836 N HA -0.203 4.537 4.740 0.000 0.000 0.256 836 N C -0.315 175.284 175.510 0.148 0.000 1.031 836 N CA 0.400 53.527 53.050 0.129 0.000 0.730 836 N CB -1.285 37.260 38.487 0.095 0.000 0.894 836 N HN 0.807 nan 8.380 nan 0.000 0.544 837 R N 0.437 121.040 120.500 0.173 0.000 2.407 837 R HA 0.709 5.049 4.340 0.000 0.000 0.303 837 R C -0.273 176.188 176.300 0.267 0.000 0.981 837 R CA -0.158 56.059 56.100 0.193 0.000 0.905 837 R CB 0.857 31.266 30.300 0.182 0.000 1.099 837 R HN 0.294 nan 8.270 nan 0.000 0.459 838 A N 4.261 127.227 122.820 0.243 0.000 2.409 838 A HA 0.383 4.703 4.320 0.000 0.000 0.267 838 A C -1.168 176.602 177.584 0.309 0.000 1.127 838 A CA -0.115 52.071 52.037 0.249 0.000 0.795 838 A CB -0.029 19.078 19.000 0.178 0.000 1.061 838 A HN 0.776 nan 8.150 nan 0.000 0.502 839 Y N -0.529 119.798 120.300 0.044 0.000 2.689 839 Y HA 0.649 5.199 4.550 0.000 0.000 0.333 839 Y C -1.460 174.413 175.900 -0.044 0.000 1.208 839 Y CA -1.691 56.396 58.100 -0.022 0.000 1.055 839 Y CB 0.819 39.141 38.460 -0.231 0.000 1.304 839 Y HN 0.432 nan 8.280 nan 0.000 0.455 840 V N 3.144 122.958 119.914 -0.166 0.000 2.482 840 V HA 0.465 4.585 4.120 0.000 0.000 0.295 840 V C -0.114 175.979 176.094 -0.002 0.000 1.026 840 V CA -0.846 61.336 62.300 -0.196 0.000 0.856 840 V CB 1.148 33.020 31.823 0.082 0.000 1.001 840 V HN 1.038 nan 8.190 nan 0.000 0.424 841 V N 2.277 122.120 119.914 -0.119 0.000 2.726 841 V HA 0.096 4.216 4.120 0.000 0.000 0.304 841 V C 0.925 177.111 176.094 0.153 0.000 1.115 841 V CA 0.373 62.731 62.300 0.096 0.000 1.264 841 V CB 0.338 32.193 31.823 0.053 0.000 0.867 841 V HN 0.914 nan 8.190 nan 0.000 0.498 842 S N 3.843 119.702 115.700 0.266 0.000 2.558 842 S HA 0.131 4.601 4.470 0.000 0.000 0.291 842 S C 0.293 174.659 174.600 -0.391 0.000 1.306 842 S CA 0.779 58.952 58.200 -0.046 0.000 1.056 842 S CB -0.849 62.418 63.200 0.112 0.000 0.836 842 S HN 1.592 nan 8.310 nan 0.000 0.504 843 Y N 0.750 120.056 120.300 -1.658 0.000 4.753 843 Y HA -0.277 4.273 4.550 0.000 0.000 0.232 843 Y C 0.642 176.326 175.900 -0.360 0.000 1.029 843 Y CA 0.711 58.037 58.100 -1.290 0.000 1.996 843 Y CB -1.437 36.599 38.460 -0.707 0.000 1.602 843 Y HN 0.843 nan 8.280 nan 0.000 0.621 844 G N 1.963 110.665 108.800 -0.164 0.000 2.406 844 G HA2 0.162 4.122 3.960 0.000 0.000 0.251 844 G HA3 0.162 4.122 3.960 0.000 0.000 0.251 844 G C -0.350 174.660 174.900 0.184 0.000 1.271 844 G CA 0.090 45.219 45.100 0.048 0.000 0.859 844 G HN 0.568 nan 8.290 nan 0.000 0.540 845 E N 1.315 121.528 120.200 0.022 0.000 2.924 845 E HA -0.119 4.231 4.350 0.000 0.000 0.236 845 E C 1.681 178.294 176.600 0.023 0.000 1.028 845 E CA 0.644 57.044 56.400 0.001 0.000 0.952 845 E CB 0.236 29.906 29.700 -0.050 0.000 0.918 845 E HN 0.569 nan 8.360 nan 0.000 0.536 846 T N 2.255 116.811 114.554 0.003 0.000 2.995 846 T HA -0.162 4.188 4.350 0.000 0.000 0.269 846 T C 1.633 176.246 174.700 -0.145 0.000 1.091 846 T CA 0.343 62.385 62.100 -0.096 0.000 1.128 846 T CB 0.034 68.746 68.868 -0.260 0.000 0.891 846 T HN 0.427 nan 8.240 nan 0.000 0.492 847 L N 1.457 122.543 121.223 -0.229 0.000 2.079 847 L HA 0.234 4.574 4.340 0.000 0.000 0.210 847 L C 2.758 179.577 176.870 -0.084 0.000 1.081 847 L CA 1.705 56.394 54.840 -0.252 0.000 0.752 847 L CB -1.121 40.692 42.059 -0.409 0.000 0.896 847 L HN 0.449 nan 8.230 nan 0.000 0.433 848 A N -1.616 121.202 122.820 -0.005 0.000 1.956 848 A HA 0.034 4.354 4.320 0.000 0.000 0.212 848 A C 1.070 178.827 177.584 0.288 0.000 1.188 848 A CA 0.624 52.758 52.037 0.161 0.000 0.675 848 A CB -0.331 18.696 19.000 0.044 0.000 0.845 848 A HN 0.539 nan 8.150 nan 0.000 0.455 849 N N 0.607 119.384 118.700 0.128 0.000 2.671 849 N HA -0.137 4.603 4.740 0.000 0.000 0.261 849 N C -0.172 175.472 175.510 0.224 0.000 1.053 849 N CA 1.006 54.145 53.050 0.148 0.000 0.732 849 N CB -1.501 37.057 38.487 0.118 0.000 0.887 849 N HN 0.627 nan 8.380 nan 0.000 0.546 850 T N -0.591 113.980 114.554 0.028 0.000 2.727 850 T HA 0.541 4.891 4.350 0.000 0.000 0.298 850 T C 0.639 175.279 174.700 -0.100 0.000 0.942 850 T CA -1.024 60.997 62.100 -0.132 0.000 0.997 850 T CB 0.772 69.474 68.868 -0.277 0.000 0.917 850 T HN 0.195 nan 8.240 nan 0.000 0.487 851 L N 3.572 124.760 121.223 -0.057 0.000 2.483 851 L HA 0.462 4.802 4.340 0.000 0.000 0.275 851 L C 1.470 178.247 176.870 -0.156 0.000 1.220 851 L CA 0.606 55.370 54.840 -0.127 0.000 0.833 851 L CB -0.125 41.933 42.059 -0.001 0.000 1.102 851 L HN 0.956 nan 8.230 nan 0.000 0.490 852 G N 1.329 109.804 108.800 -0.542 0.000 2.621 852 G HA2 0.350 4.310 3.960 0.000 0.000 0.271 852 G HA3 0.350 4.310 3.960 0.000 0.000 0.271 852 G C -0.120 174.778 174.900 -0.003 0.000 1.236 852 G CA -0.729 44.109 45.100 -0.437 0.000 0.958 852 G HN 0.548 nan 8.290 nan 0.000 0.512 853 R N -0.898 119.545 120.500 -0.096 0.000 2.594 853 R HA 0.398 4.738 4.340 0.000 0.000 0.272 853 R C 1.076 177.474 176.300 0.163 0.000 1.074 853 R CA 0.388 56.440 56.100 -0.080 0.000 1.105 853 R CB 0.818 30.939 30.300 -0.299 0.000 1.008 853 R HN 0.581 nan 8.270 nan 0.000 0.472 854 G N 0.894 109.827 108.800 0.222 0.000 2.494 854 G HA2 0.053 4.013 3.960 0.000 0.000 0.270 854 G HA3 0.053 4.013 3.960 0.000 0.000 0.270 854 G C -0.652 174.338 174.900 0.150 0.000 1.423 854 G CA -0.666 44.558 45.100 0.207 0.000 1.055 854 G HN 0.547 nan 8.290 nan 0.000 0.536 855 R N 0.052 120.629 120.500 0.127 0.000 2.561 855 R HA 0.088 4.429 4.340 0.000 0.000 0.347 855 R C -0.815 175.541 176.300 0.094 0.000 0.916 855 R CA 0.545 56.704 56.100 0.098 0.000 1.063 855 R CB -0.696 29.649 30.300 0.074 0.000 0.916 855 R HN 0.276 nan 8.270 nan 0.000 0.410 856 T N 4.707 119.311 114.554 0.083 0.000 2.833 856 T HA 0.237 4.587 4.350 0.000 0.000 0.297 856 T C -0.386 174.352 174.700 0.064 0.000 1.015 856 T CA -0.632 61.512 62.100 0.073 0.000 0.963 856 T CB 1.475 70.376 68.868 0.054 0.000 0.955 856 T HN 0.255 nan 8.240 nan 0.000 0.449 857 V N 4.898 124.849 119.914 0.062 0.000 2.607 857 V HA 0.597 4.717 4.120 0.000 0.000 0.289 857 V C 0.012 176.140 176.094 0.057 0.000 1.053 857 V CA -0.542 61.793 62.300 0.058 0.000 0.996 857 V CB 0.997 32.851 31.823 0.052 0.000 0.995 857 V HN 0.982 nan 8.190 nan 0.000 0.476 858 Q N 2.650 122.486 119.800 0.060 0.000 2.403 858 Q HA 0.714 5.055 4.340 0.000 0.000 0.267 858 Q C -0.708 175.332 176.000 0.067 0.000 0.991 858 Q CA -0.790 55.048 55.803 0.059 0.000 0.906 858 Q CB 2.032 30.800 28.738 0.051 0.000 1.422 858 Q HN 0.812 nan 8.270 nan 0.000 0.400 859 G N 0.051 108.890 108.800 0.064 0.000 2.798 859 G HA2 0.943 4.903 3.960 0.000 0.000 0.286 859 G HA3 0.943 4.903 3.960 0.000 0.000 0.286 859 G C -0.945 173.989 174.900 0.058 0.000 1.389 859 G CA -0.513 44.630 45.100 0.071 0.000 0.894 859 G HN 0.921 nan 8.290 nan 0.000 0.488 860 G N -2.236 106.602 108.800 0.063 0.000 2.495 860 G HA2 0.605 4.565 3.960 0.000 0.000 0.294 860 G HA3 0.605 4.565 3.960 0.000 0.000 0.294 860 G C -2.023 172.898 174.900 0.036 0.000 1.397 860 G CA -0.291 44.809 45.100 0.001 0.000 0.790 860 G HN 1.154 nan 8.290 nan 0.000 0.486 861 V N 0.181 120.083 119.914 -0.021 0.000 2.656 861 V HA 0.718 4.838 4.120 0.000 0.000 0.307 861 V C -0.423 175.749 176.094 0.130 0.000 1.051 861 V CA -0.696 61.647 62.300 0.071 0.000 0.893 861 V CB 1.760 33.621 31.823 0.064 0.000 0.999 861 V HN 0.895 nan 8.190 nan 0.000 0.426 862 E N 2.958 123.290 120.200 0.220 0.000 2.234 862 E HA 0.486 4.836 4.350 0.000 0.000 0.266 862 E C -2.213 174.555 176.600 0.280 0.000 0.877 862 E CA -0.677 55.890 56.400 0.278 0.000 0.758 862 E CB 2.183 32.047 29.700 0.273 0.000 1.170 862 E HN 0.680 nan 8.360 nan 0.000 0.415 863 Y N 4.674 125.076 120.300 0.170 0.000 2.363 863 Y HA 0.411 4.961 4.550 0.000 0.000 0.325 863 Y C -0.888 175.177 175.900 0.275 0.000 0.984 863 Y CA -0.675 57.537 58.100 0.187 0.000 1.248 863 Y CB 0.794 39.350 38.460 0.160 0.000 1.116 863 Y HN 0.486 nan 8.280 nan 0.000 0.470 864 R N 5.350 125.739 120.500 -0.184 0.000 2.500 864 R HA 0.654 4.994 4.340 0.000 0.000 0.277 864 R C -1.294 174.881 176.300 -0.208 0.000 1.026 864 R CA -0.490 55.531 56.100 -0.133 0.000 1.058 864 R CB 1.245 31.504 30.300 -0.068 0.000 1.078 864 R HN 0.661 nan 8.270 nan 0.000 0.509 865 F N 0.000 119.837 119.950 -0.188 0.000 2.286 865 F HA 0.000 4.527 4.527 0.000 0.000 0.279 865 F CA 0.000 57.917 58.000 -0.139 0.000 1.383 865 F CB 0.000 38.940 39.000 -0.099 0.000 1.145 865 F HN 0.000 nan 8.300 nan 0.000 0.574