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 3csn_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 0.000 175.535 175.510 0.041 0.000 1.280 113 N CA 0.000 53.089 53.050 0.065 0.000 0.885 113 N CB 0.000 38.504 38.487 0.028 0.000 1.341 114 D N 1.097 121.522 120.400 0.042 0.000 2.945 114 D HA 0.195 4.835 4.640 0.000 0.000 0.366 114 D C 1.162 177.440 176.300 -0.036 0.000 1.352 114 D CA -0.585 53.392 54.000 -0.039 0.000 0.810 114 D CB -1.262 39.582 40.800 0.073 0.000 1.170 114 D HN 0.651 nan 8.370 nan 0.000 0.461 115 W N -0.238 121.059 121.300 -0.005 0.000 2.392 115 W HA -0.126 4.534 4.660 0.000 0.000 0.279 115 W C 0.840 177.325 176.519 -0.057 0.000 1.225 115 W CA -0.044 57.283 57.345 -0.031 0.000 1.233 115 W CB -1.211 28.209 29.460 -0.066 0.000 1.122 115 W HN -0.032 nan 8.180 nan 0.000 0.561 116 V N 1.941 121.307 119.914 -0.913 0.000 2.277 116 V HA -0.374 3.746 4.120 0.000 0.000 0.253 116 V C 2.108 177.887 176.094 -0.524 0.000 1.067 116 V CA 2.430 64.131 62.300 -0.998 0.000 1.047 116 V CB -1.205 29.884 31.823 -1.224 0.000 0.649 116 V HN 0.140 nan 8.190 nan 0.000 0.447 117 Y N -0.827 119.319 120.300 -0.256 0.000 2.632 117 Y HA -0.039 4.511 4.550 0.000 0.000 0.301 117 Y C 1.816 177.662 175.900 -0.090 0.000 1.172 117 Y CA 1.108 59.117 58.100 -0.152 0.000 1.328 117 Y CB -0.172 38.214 38.460 -0.123 0.000 1.016 117 Y HN 0.303 nan 8.280 nan 0.000 0.529 118 D N -0.349 120.075 120.400 0.039 0.000 2.431 118 D HA 0.041 4.681 4.640 0.000 0.000 0.213 118 D C -0.425 175.877 176.300 0.004 0.000 1.130 118 D CA 0.135 54.164 54.000 0.047 0.000 0.834 118 D CB 0.266 41.117 40.800 0.084 0.000 0.985 118 D HN 0.102 nan 8.370 nan 0.000 0.504 119 E N 0.269 120.434 120.200 -0.058 0.000 2.166 119 E HA 0.381 4.731 4.350 0.000 0.000 0.275 119 E C -2.411 174.015 176.600 -0.290 0.000 0.941 119 E CA -2.548 53.796 56.400 -0.094 0.000 0.784 119 E CB 1.833 31.530 29.700 -0.005 0.000 1.115 119 E HN -0.136 nan 8.360 nan 0.000 0.399 120 P HA 0.141 nan 4.420 nan 0.000 0.225 120 P C -1.145 175.716 177.300 -0.732 0.000 1.768 120 P CA 0.035 62.763 63.100 -0.620 0.000 0.943 120 P CB -0.285 31.285 31.700 -0.218 0.000 1.936 121 R N -1.883 118.144 120.500 -0.789 0.000 3.062 121 R HA 0.165 4.505 4.340 0.000 0.000 0.279 121 R C -1.618 174.573 176.300 -0.182 0.000 1.003 121 R CA -0.551 55.371 56.100 -0.296 0.000 0.872 121 R CB -0.323 29.904 30.300 -0.122 0.000 1.280 121 R HN -0.185 nan 8.270 nan 0.000 0.516 122 S N 1.226 116.902 115.700 -0.039 0.000 3.024 122 S HA 0.222 4.693 4.470 0.000 0.000 0.316 122 S C -0.042 174.455 174.600 -0.172 0.000 1.197 122 S CA -0.260 57.884 58.200 -0.092 0.000 1.097 122 S CB -0.317 62.846 63.200 -0.061 0.000 1.471 122 S HN 0.342 nan 8.310 nan 0.000 0.543 123 V N 2.872 122.642 119.914 -0.239 0.000 2.864 123 V HA 0.909 5.029 4.120 0.000 0.000 0.314 123 V C -0.341 175.519 176.094 -0.389 0.000 1.073 123 V CA -0.288 61.853 62.300 -0.265 0.000 0.956 123 V CB 2.485 34.191 31.823 -0.195 0.000 1.023 123 V HN 0.588 nan 8.190 nan 0.000 0.435 124 S N 2.831 118.314 115.700 -0.363 0.000 2.596 124 S HA 0.800 5.270 4.470 0.000 0.000 0.270 124 S C -1.745 172.646 174.600 -0.347 0.000 1.155 124 S CA 0.004 57.966 58.200 -0.396 0.000 0.827 124 S CB 1.817 64.833 63.200 -0.307 0.000 1.130 124 S HN 1.770 nan 8.310 nan 0.000 0.467 125 V N 4.231 123.943 119.914 -0.336 0.000 2.777 125 V HA 0.649 4.769 4.120 0.000 0.000 0.306 125 V C -1.106 174.862 176.094 -0.210 0.000 1.112 125 V CA -0.774 61.373 62.300 -0.254 0.000 0.917 125 V CB 1.577 33.263 31.823 -0.229 0.000 1.018 125 V HN 0.937 nan 8.190 nan 0.000 0.426 126 I N 6.937 127.392 120.570 -0.190 0.000 2.304 126 I HA 0.574 4.744 4.170 0.000 0.000 0.291 126 I C 0.633 176.668 176.117 -0.137 0.000 1.018 126 I CA 0.112 61.316 61.300 -0.160 0.000 1.260 126 I CB 1.418 39.323 38.000 -0.159 0.000 1.390 126 I HN 0.910 nan 8.210 nan 0.000 0.475 127 S N 5.871 121.497 115.700 -0.124 0.000 2.584 127 S HA 0.184 4.654 4.470 0.000 0.000 0.270 127 S C 1.095 175.630 174.600 -0.108 0.000 1.346 127 S CA -0.593 57.541 58.200 -0.111 0.000 1.018 127 S CB 1.544 64.677 63.200 -0.112 0.000 0.899 127 S HN 0.845 nan 8.310 nan 0.000 0.542 128 R N 1.183 121.622 120.500 -0.101 0.000 2.081 128 R HA -0.071 4.269 4.340 0.000 0.000 0.235 128 R C 1.732 177.968 176.300 -0.106 0.000 1.131 128 R CA 1.906 57.947 56.100 -0.099 0.000 0.960 128 R CB -1.182 29.061 30.300 -0.095 0.000 0.856 128 R HN 0.852 nan 8.270 nan 0.000 0.436 129 E N 0.023 120.156 120.200 -0.112 0.000 2.204 129 E HA -0.191 4.159 4.350 0.000 0.000 0.195 129 E C 1.774 178.287 176.600 -0.145 0.000 0.990 129 E CA 1.338 57.667 56.400 -0.118 0.000 0.821 129 E CB -0.166 29.460 29.700 -0.124 0.000 0.750 129 E HN 0.522 nan 8.360 nan 0.000 0.477 130 Q N -0.141 119.572 119.800 -0.144 0.000 2.187 130 Q HA -0.073 4.267 4.340 0.000 0.000 0.199 130 Q C 1.786 177.699 176.000 -0.146 0.000 0.957 130 Q CA 0.988 56.694 55.803 -0.162 0.000 0.857 130 Q CB 0.055 28.713 28.738 -0.133 0.000 0.929 130 Q HN 0.325 nan 8.270 nan 0.000 0.453 131 M N 0.269 119.798 119.600 -0.119 0.000 2.492 131 M HA -0.066 4.414 4.480 0.000 0.000 0.262 131 M C 0.610 176.848 176.300 -0.104 0.000 1.090 131 M CA 0.718 55.958 55.300 -0.100 0.000 1.110 131 M CB 0.196 32.744 32.600 -0.087 0.000 1.407 131 M HN 0.076 nan 8.290 nan 0.000 0.470 132 D N 0.273 120.605 120.400 -0.114 0.000 2.216 132 D HA -0.036 4.604 4.640 0.000 0.000 0.208 132 D C 1.606 177.861 176.300 -0.075 0.000 0.960 132 D CA 0.853 54.794 54.000 -0.099 0.000 0.861 132 D CB -0.318 40.429 40.800 -0.089 0.000 0.985 132 D HN 0.230 nan 8.370 nan 0.000 0.493 133 N N 0.506 119.120 118.700 -0.143 0.000 2.270 133 N HA -0.066 4.674 4.740 0.000 0.000 0.181 133 N C 0.611 176.031 175.510 -0.151 0.000 1.016 133 N CA 0.523 53.441 53.050 -0.221 0.000 0.870 133 N CB 0.201 38.303 38.487 -0.643 0.000 0.979 133 N HN 0.092 nan 8.380 nan 0.000 0.431 134 R N 0.882 121.301 120.500 -0.136 0.000 2.494 134 R HA 0.300 4.640 4.340 0.000 0.000 0.284 134 R C -2.713 173.565 176.300 -0.037 0.000 1.525 134 R CA -1.567 54.500 56.100 -0.055 0.000 1.460 134 R CB 0.842 31.102 30.300 -0.065 0.000 1.134 134 R HN -0.074 nan 8.270 nan 0.000 0.592 135 P HA 0.077 nan 4.420 nan 0.000 0.269 135 P C -1.194 176.099 177.300 -0.012 0.000 1.217 135 P CA -0.070 63.020 63.100 -0.016 0.000 0.783 135 P CB 1.108 32.814 31.700 0.010 0.000 0.898 136 A N 1.957 124.768 122.820 -0.015 0.000 2.365 136 A HA 0.523 4.843 4.320 0.000 0.000 0.318 136 A C 0.874 178.464 177.584 0.009 0.000 1.091 136 A CA -0.665 51.371 52.037 -0.000 0.000 0.763 136 A CB 1.235 20.237 19.000 0.005 0.000 1.248 136 A HN 0.666 nan 8.150 nan 0.000 0.442 137 R N 0.843 121.361 120.500 0.029 0.000 2.254 137 R HA 0.171 4.511 4.340 0.000 0.000 0.193 137 R C 0.087 176.500 176.300 0.187 0.000 0.929 137 R CA 0.422 56.556 56.100 0.058 0.000 1.038 137 R CB 0.189 30.497 30.300 0.013 0.000 1.009 137 R HN 0.666 nan 8.270 nan 0.000 0.512 138 H N -0.206 118.894 119.070 0.049 0.000 2.589 138 H HA 0.383 4.939 4.556 0.000 0.000 0.351 138 H C 0.287 175.610 175.328 -0.009 0.000 1.074 138 H CA 0.047 56.116 56.048 0.035 0.000 1.203 138 H CB 2.422 32.169 29.762 -0.025 0.000 1.558 138 H HN 0.106 nan 8.280 nan 0.000 0.522 139 A N 4.353 127.074 122.820 -0.166 0.000 1.954 139 A HA -0.297 4.023 4.320 0.000 0.000 0.222 139 A C 2.298 179.952 177.584 0.117 0.000 1.199 139 A CA 2.497 54.507 52.037 -0.044 0.000 0.657 139 A CB -0.998 17.892 19.000 -0.183 0.000 0.823 139 A HN 0.783 nan 8.150 nan 0.000 0.463 140 A N -0.463 122.548 122.820 0.317 0.000 2.070 140 A HA -0.150 4.170 4.320 0.000 0.000 0.220 140 A C 1.564 179.192 177.584 0.073 0.000 1.159 140 A CA 1.807 53.941 52.037 0.161 0.000 0.656 140 A CB -0.592 18.458 19.000 0.084 0.000 0.800 140 A HN 0.513 nan 8.150 nan 0.000 0.453 141 D N 0.281 120.736 120.400 0.090 0.000 2.263 141 D HA -0.152 4.488 4.640 0.000 0.000 0.208 141 D C 1.743 178.044 176.300 0.002 0.000 0.971 141 D CA 1.438 55.457 54.000 0.031 0.000 0.867 141 D CB -0.440 40.383 40.800 0.038 0.000 0.929 141 D HN 0.803 nan 8.370 nan 0.000 0.492 142 I N -2.256 118.319 120.570 0.008 0.000 3.111 142 I HA -0.016 4.154 4.170 0.000 0.000 0.272 142 I C 1.225 177.309 176.117 -0.055 0.000 1.268 142 I CA 0.437 61.723 61.300 -0.023 0.000 1.467 142 I CB 0.002 37.998 38.000 -0.008 0.000 1.087 142 I HN -0.176 nan 8.210 nan 0.000 0.467 143 L N 1.118 122.312 121.223 -0.049 0.000 2.688 143 L HA 0.260 4.600 4.340 0.000 0.000 0.234 143 L C 1.363 178.146 176.870 -0.146 0.000 1.192 143 L CA 0.851 55.637 54.840 -0.089 0.000 0.984 143 L CB -0.765 41.265 42.059 -0.050 0.000 1.232 143 L HN 0.220 nan 8.230 nan 0.000 0.465 144 E N -1.445 118.677 120.200 -0.130 0.000 2.562 144 E HA 0.122 4.472 4.350 0.000 0.000 0.214 144 E C 0.552 177.055 176.600 -0.162 0.000 0.979 144 E CA 0.098 56.408 56.400 -0.149 0.000 1.002 144 E CB 0.545 30.197 29.700 -0.081 0.000 1.048 144 E HN 0.534 nan 8.360 nan 0.000 0.488 145 Q N 0.571 120.283 119.800 -0.148 0.000 2.135 145 Q HA 0.078 4.418 4.340 0.000 0.000 0.231 145 Q C -0.375 175.539 176.000 -0.144 0.000 0.817 145 Q CA -0.005 55.721 55.803 -0.128 0.000 1.073 145 Q CB 1.473 30.159 28.738 -0.087 0.000 1.176 145 Q HN 0.016 nan 8.270 nan 0.000 0.478 146 T N -1.485 112.953 114.554 -0.192 0.000 2.792 146 T HA 0.360 4.710 4.350 0.000 0.000 0.280 146 T C 0.333 174.885 174.700 -0.246 0.000 0.990 146 T CA -0.727 61.252 62.100 -0.202 0.000 0.960 146 T CB 1.539 70.281 68.868 -0.209 0.000 0.939 146 T HN 0.124 nan 8.240 nan 0.000 0.439 147 T N 0.320 114.755 114.554 -0.199 0.000 2.940 147 T HA 0.453 4.803 4.350 0.000 0.000 0.309 147 T C 1.643 176.214 174.700 -0.216 0.000 1.056 147 T CA 0.223 62.207 62.100 -0.193 0.000 1.137 147 T CB 0.211 69.021 68.868 -0.097 0.000 0.976 147 T HN 2.041 nan 8.240 nan 0.000 0.547 148 G N 1.342 110.026 108.800 -0.193 0.000 2.184 148 G HA2 -0.022 3.938 3.960 0.000 0.000 0.264 148 G HA3 -0.022 3.938 3.960 0.000 0.000 0.264 148 G C 0.226 175.042 174.900 -0.140 0.000 0.975 148 G CA 0.014 45.034 45.100 -0.134 0.000 0.642 148 G HN 1.624 nan 8.290 nan 0.000 0.536 149 A N -0.390 122.240 122.820 -0.317 0.000 2.288 149 A HA 0.886 5.206 4.320 0.000 0.000 0.320 149 A C -0.541 176.773 177.584 -0.451 0.000 1.217 149 A CA -0.382 51.492 52.037 -0.270 0.000 0.840 149 A CB 0.977 19.833 19.000 -0.240 0.000 1.179 149 A HN 0.719 nan 8.150 nan 0.000 0.504 150 Y N 0.132 120.341 120.300 -0.153 0.000 2.715 150 Y HA 0.744 5.294 4.550 0.000 0.000 0.331 150 Y C 0.319 176.217 175.900 -0.004 0.000 1.197 150 Y CA -0.485 57.554 58.100 -0.103 0.000 1.079 150 Y CB 2.155 40.490 38.460 -0.208 0.000 1.298 150 Y HN 0.706 nan 8.280 nan 0.000 0.477 151 S N -0.296 115.580 115.700 0.294 0.000 2.584 151 S HA 0.308 4.778 4.470 0.000 0.000 0.280 151 S C -1.296 173.381 174.600 0.128 0.000 1.162 151 S CA -0.650 57.662 58.200 0.186 0.000 0.951 151 S CB 0.826 64.061 63.200 0.058 0.000 1.108 151 S HN 0.523 nan 8.310 nan 0.000 0.464 152 S N 3.177 118.906 115.700 0.047 0.000 4.053 152 S HA 0.137 4.607 4.470 0.000 0.000 0.184 152 S C 0.216 174.763 174.600 -0.088 0.000 1.324 152 S CA -0.067 58.046 58.200 -0.145 0.000 0.956 152 S CB -0.595 62.513 63.200 -0.154 0.000 1.503 152 S HN 0.652 nan 8.310 nan 0.000 0.440 153 V N 2.420 122.276 119.914 -0.097 0.000 2.607 153 V HA 0.596 4.717 4.120 0.000 0.000 0.289 153 V C 0.054 176.047 176.094 -0.170 0.000 1.053 153 V CA -0.254 61.950 62.300 -0.161 0.000 0.996 153 V CB 1.903 33.570 31.823 -0.259 0.000 0.995 153 V HN 0.435 nan 8.190 nan 0.000 0.476 154 S N 4.926 120.514 115.700 -0.187 0.000 2.596 154 S HA 0.364 4.834 4.470 0.000 0.000 0.318 154 S C 0.458 174.928 174.600 -0.217 0.000 1.097 154 S CA -0.699 57.395 58.200 -0.177 0.000 1.080 154 S CB 1.706 64.827 63.200 -0.131 0.000 0.991 154 S HN 0.834 nan 8.310 nan 0.000 0.471 155 Q N 3.100 122.767 119.800 -0.221 0.000 2.561 155 Q HA -0.076 4.264 4.340 0.000 0.000 0.217 155 Q C 0.987 176.934 176.000 -0.088 0.000 0.980 155 Q CA 1.171 56.885 55.803 -0.148 0.000 0.927 155 Q CB -0.057 28.663 28.738 -0.030 0.000 0.980 155 Q HN 0.795 nan 8.270 nan 0.000 0.525 156 Q N -0.232 119.467 119.800 -0.169 0.000 2.360 156 Q HA 0.032 4.372 4.340 0.000 0.000 0.202 156 Q C -0.237 175.674 176.000 -0.148 0.000 0.915 156 Q CA 0.066 55.758 55.803 -0.183 0.000 0.943 156 Q CB 0.684 29.263 28.738 -0.265 0.000 1.064 156 Q HN 0.057 nan 8.270 nan 0.000 0.511 157 D N -0.289 120.044 120.400 -0.113 0.000 2.686 157 D HA 0.177 4.817 4.640 0.000 0.000 0.249 157 D C -2.296 173.962 176.300 -0.069 0.000 1.260 157 D CA -2.206 51.731 54.000 -0.104 0.000 0.910 157 D CB 1.884 42.645 40.800 -0.066 0.000 1.323 157 D HN -0.254 nan 8.370 nan 0.000 0.561 158 P HA 0.084 nan 4.420 nan 0.000 0.230 158 P C -0.017 177.000 177.300 -0.472 0.000 1.158 158 P CA 0.255 62.959 63.100 -0.660 0.000 0.769 158 P CB 0.059 31.196 31.700 -0.938 0.000 0.807 159 A N 0.360 123.006 122.820 -0.289 0.000 2.567 159 A HA 0.141 4.461 4.320 0.000 0.000 0.240 159 A C -0.003 177.377 177.584 -0.340 0.000 1.053 159 A CA 0.110 51.806 52.037 -0.568 0.000 0.755 159 A CB -0.661 18.124 19.000 -0.358 0.000 0.978 159 A HN 0.198 nan 8.150 nan 0.000 0.507 160 L N 3.063 124.021 121.223 -0.441 0.000 2.272 160 L HA 0.609 4.949 4.340 0.000 0.000 0.289 160 L C 0.179 176.935 176.870 -0.189 0.000 1.032 160 L CA 0.361 55.069 54.840 -0.220 0.000 0.810 160 L CB 1.550 43.445 42.059 -0.274 0.000 1.205 160 L HN 0.543 nan 8.230 nan 0.000 0.422 161 S N 4.324 119.969 115.700 -0.091 0.000 2.552 161 S HA 0.648 5.118 4.470 0.000 0.000 0.314 161 S C -0.875 173.715 174.600 -0.018 0.000 1.099 161 S CA -0.616 57.540 58.200 -0.074 0.000 1.070 161 S CB 0.937 64.096 63.200 -0.069 0.000 0.998 161 S HN 0.460 nan 8.310 nan 0.000 0.474 162 V N 6.397 126.304 119.914 -0.013 0.000 2.461 162 V HA 0.407 4.527 4.120 0.000 0.000 0.275 162 V C 0.435 176.525 176.094 -0.007 0.000 1.047 162 V CA -0.762 61.546 62.300 0.014 0.000 0.955 162 V CB 1.108 32.958 31.823 0.045 0.000 0.988 162 V HN 0.840 nan 8.190 nan 0.000 0.471 163 N N 5.246 123.953 118.700 0.012 0.000 2.372 163 N HA 0.505 5.245 4.740 0.000 0.000 0.291 163 N C -1.229 174.241 175.510 -0.067 0.000 1.024 163 N CA -0.479 52.564 53.050 -0.012 0.000 0.873 163 N CB 1.778 40.308 38.487 0.072 0.000 1.206 163 N HN 0.597 nan 8.380 nan 0.000 0.486 164 I N 3.879 124.361 120.570 -0.147 0.000 2.437 164 I HA 0.286 4.456 4.170 0.000 0.000 0.279 164 I C 0.542 176.483 176.117 -0.292 0.000 1.028 164 I CA -0.496 60.684 61.300 -0.201 0.000 1.142 164 I CB 0.930 38.797 38.000 -0.222 0.000 1.266 164 I HN 0.613 nan 8.210 nan 0.000 0.461 165 R N 3.825 124.177 120.500 -0.247 0.000 3.770 165 R HA -0.217 4.123 4.340 0.000 0.000 0.305 165 R C 0.986 177.149 176.300 -0.229 0.000 1.184 165 R CA 0.672 56.611 56.100 -0.269 0.000 0.823 165 R CB -1.776 28.223 30.300 -0.502 0.000 1.285 165 R HN 1.133 nan 8.270 nan 0.000 0.499 166 G N -1.042 107.557 108.800 -0.335 0.000 2.213 166 G HA2 -0.266 3.694 3.960 0.000 0.000 0.226 166 G HA3 -0.266 3.694 3.960 0.000 0.000 0.226 166 G C 0.091 174.822 174.900 -0.281 0.000 0.992 166 G CA -0.036 44.920 45.100 -0.240 0.000 0.632 166 G HN 0.167 nan 8.290 nan 0.000 0.511 167 I N 1.582 121.846 120.570 -0.510 0.000 2.365 167 I HA 0.511 4.681 4.170 0.000 0.000 0.291 167 I C 1.128 177.157 176.117 -0.147 0.000 1.004 167 I CA 0.442 61.517 61.300 -0.374 0.000 1.311 167 I CB 1.730 39.446 38.000 -0.474 0.000 1.401 167 I HN 0.478 nan 8.210 nan 0.000 0.491 168 Q N 1.978 121.758 119.800 -0.035 0.000 2.225 168 Q HA 0.291 4.631 4.340 0.000 0.000 0.230 168 Q C -0.451 175.509 176.000 -0.066 0.000 0.729 168 Q CA -0.469 55.312 55.803 -0.037 0.000 0.918 168 Q CB 0.395 29.146 28.738 0.022 0.000 1.262 168 Q HN 0.416 nan 8.270 nan 0.000 0.473 169 D N 0.876 121.242 120.400 -0.057 0.000 2.383 169 D HA 0.165 4.805 4.640 0.000 0.000 0.248 169 D C -0.540 175.693 176.300 -0.111 0.000 1.170 169 D CA -0.200 53.708 54.000 -0.153 0.000 0.977 169 D CB 0.271 40.977 40.800 -0.158 0.000 1.120 169 D HN 0.104 nan 8.370 nan 0.000 0.481 170 Y N 0.303 120.520 120.300 -0.137 0.000 2.976 170 Y HA -0.169 4.381 4.550 0.000 0.000 0.204 170 Y C 1.543 177.352 175.900 -0.152 0.000 1.257 170 Y CA 0.770 58.772 58.100 -0.163 0.000 0.856 170 Y CB -1.895 36.435 38.460 -0.216 0.000 1.222 170 Y HN 0.722 nan 8.280 nan 0.000 0.442 171 G N -0.350 108.427 108.800 -0.039 0.000 2.166 171 G HA2 -0.430 3.530 3.960 0.000 0.000 0.260 171 G HA3 -0.430 3.530 3.960 0.000 0.000 0.260 171 G C 1.264 176.124 174.900 -0.068 0.000 0.986 171 G CA 0.637 45.703 45.100 -0.056 0.000 0.683 171 G HN 0.595 nan 8.290 nan 0.000 0.527 172 R N -1.098 119.359 120.500 -0.071 0.000 2.115 172 R HA 0.192 4.532 4.340 0.000 0.000 0.226 172 R C 0.870 177.112 176.300 -0.097 0.000 1.100 172 R CA 1.210 57.260 56.100 -0.084 0.000 0.980 172 R CB 0.214 30.467 30.300 -0.079 0.000 0.875 172 R HN 0.351 nan 8.270 nan 0.000 0.445 173 V N 2.194 122.050 119.914 -0.096 0.000 2.357 173 V HA 0.089 4.209 4.120 0.000 0.000 0.284 173 V C -0.489 175.552 176.094 -0.089 0.000 1.018 173 V CA -1.030 61.210 62.300 -0.100 0.000 0.841 173 V CB 1.411 33.176 31.823 -0.097 0.000 0.991 173 V HN 0.141 nan 8.190 nan 0.000 0.437 174 N N 5.997 124.640 118.700 -0.094 0.000 2.498 174 N HA 0.160 4.900 4.740 0.000 0.000 0.277 174 N C -0.254 175.213 175.510 -0.071 0.000 1.208 174 N CA 0.176 53.166 53.050 -0.101 0.000 1.029 174 N CB 0.071 38.488 38.487 -0.116 0.000 1.403 174 N HN 0.617 nan 8.380 nan 0.000 0.500 175 M N 3.015 122.582 119.600 -0.055 0.000 2.143 175 M HA 0.176 4.656 4.480 0.000 0.000 0.348 175 M C -0.016 176.262 176.300 -0.036 0.000 1.375 175 M CA -0.417 54.887 55.300 0.007 0.000 1.124 175 M CB 0.415 33.002 32.600 -0.022 0.000 1.669 175 M HN 0.442 nan 8.290 nan 0.000 0.469 176 N N 4.720 123.433 118.700 0.022 0.000 2.329 176 N HA 0.644 5.384 4.740 0.000 0.000 0.282 176 N C -1.457 174.065 175.510 0.021 0.000 1.198 176 N CA -0.974 52.043 53.050 -0.055 0.000 0.790 176 N CB 1.446 39.851 38.487 -0.137 0.000 1.579 176 N HN 0.705 nan 8.380 nan 0.000 0.475 177 I N -2.323 118.206 120.570 -0.068 0.000 2.389 177 I HA 0.451 4.621 4.170 0.000 0.000 0.288 177 I C -0.880 175.180 176.117 -0.094 0.000 0.999 177 I CA -0.519 60.762 61.300 -0.031 0.000 1.129 177 I CB 1.172 39.133 38.000 -0.065 0.000 1.288 177 I HN 0.389 nan 8.210 nan 0.000 0.444 178 D N 4.746 125.103 120.400 -0.072 0.000 2.911 178 D HA -0.202 4.438 4.640 0.000 0.000 0.227 178 D C 1.234 177.436 176.300 -0.163 0.000 1.164 178 D CA 1.847 55.786 54.000 -0.103 0.000 0.782 178 D CB -1.180 39.568 40.800 -0.086 0.000 1.094 178 D HN 1.338 nan 8.370 nan 0.000 0.425 179 G N -1.336 107.352 108.800 -0.188 0.000 2.199 179 G HA2 -0.352 3.608 3.960 0.000 0.000 0.254 179 G HA3 -0.352 3.608 3.960 0.000 0.000 0.254 179 G C 0.341 174.954 174.900 -0.478 0.000 0.982 179 G CA 0.380 45.327 45.100 -0.255 0.000 0.632 179 G HN 0.416 nan 8.290 nan 0.000 0.529 180 M N 1.542 120.807 119.600 -0.557 0.000 2.146 180 M HA 0.375 4.855 4.480 0.000 0.000 0.352 180 M C 0.814 176.850 176.300 -0.441 0.000 1.343 180 M CA -0.151 54.599 55.300 -0.916 0.000 1.115 180 M CB 0.710 32.993 32.600 -0.528 0.000 1.657 180 M HN 0.104 nan 8.290 nan 0.000 0.471 181 R N 2.641 122.951 120.500 -0.317 0.000 2.401 181 R HA 0.082 4.422 4.340 0.000 0.000 0.299 181 R C -0.373 175.877 176.300 -0.083 0.000 1.064 181 R CA -0.202 55.800 56.100 -0.163 0.000 1.000 181 R CB 0.468 30.632 30.300 -0.226 0.000 0.973 181 R HN 0.494 nan 8.270 nan 0.000 0.438 182 Q N 2.817 122.556 119.800 -0.101 0.000 2.490 182 Q HA 0.113 4.453 4.340 0.000 0.000 0.226 182 Q C -0.239 175.737 176.000 -0.041 0.000 1.132 182 Q CA -0.091 55.671 55.803 -0.069 0.000 0.928 182 Q CB 0.838 29.511 28.738 -0.107 0.000 1.299 182 Q HN 0.445 nan 8.270 nan 0.000 0.528 183 N N 1.049 119.749 118.700 0.001 0.000 2.230 183 N HA 0.044 4.784 4.740 0.000 0.000 0.202 183 N C -0.200 175.331 175.510 0.035 0.000 1.119 183 N CA -0.157 52.894 53.050 0.002 0.000 0.851 183 N CB 0.261 38.758 38.487 0.016 0.000 0.990 183 N HN 0.376 nan 8.380 nan 0.000 0.497 184 F N 2.083 121.996 119.950 -0.061 0.000 2.602 184 F HA 0.126 4.653 4.527 0.000 0.000 0.367 184 F C 0.535 176.296 175.800 -0.065 0.000 1.126 184 F CA 0.472 58.447 58.000 -0.042 0.000 1.321 184 F CB 0.612 39.602 39.000 -0.017 0.000 1.094 184 F HN -0.087 nan 8.300 nan 0.000 0.594 185 Q N 6.073 125.277 119.800 -0.993 0.000 2.340 185 Q HA 0.291 4.631 4.340 0.000 0.000 0.276 185 Q C -1.881 173.571 176.000 -0.913 0.000 1.048 185 Q CA -0.910 54.461 55.803 -0.720 0.000 0.832 185 Q CB 2.218 30.732 28.738 -0.374 0.000 1.373 185 Q HN 0.863 nan 8.270 nan 0.000 0.409 186 K N 2.089 122.178 120.400 -0.519 0.000 2.601 186 K HA 0.371 4.691 4.320 0.000 0.000 0.249 186 K C -1.096 175.444 176.600 -0.100 0.000 0.966 186 K CA -0.288 55.834 56.287 -0.275 0.000 0.827 186 K CB 1.487 33.937 32.500 -0.084 0.000 1.178 186 K HN 0.612 nan 8.250 nan 0.000 0.437 187 S N 1.661 117.337 115.700 -0.040 0.000 2.546 187 S HA 0.297 4.767 4.470 0.000 0.000 0.290 187 S C 0.283 174.897 174.600 0.024 0.000 1.290 187 S CA 0.345 58.562 58.200 0.028 0.000 1.069 187 S CB 0.970 64.206 63.200 0.059 0.000 0.846 187 S HN 0.821 nan 8.310 nan 0.000 0.495 188 G N 1.436 110.256 108.800 0.033 0.000 3.039 188 G HA2 0.329 4.289 3.960 0.000 0.000 0.202 188 G HA3 0.329 4.289 3.960 0.000 0.000 0.202 188 G C -0.470 174.425 174.900 -0.007 0.000 1.151 188 G CA -0.655 44.440 45.100 -0.007 0.000 0.836 188 G HN 0.693 nan 8.290 nan 0.000 0.598 189 H N 0.255 119.416 119.070 0.152 0.000 2.562 189 H HA 0.307 4.863 4.556 0.000 0.000 0.274 189 H C 1.940 177.330 175.328 0.103 0.000 1.038 189 H CA 1.074 57.240 56.048 0.196 0.000 1.161 189 H CB -0.004 29.811 29.762 0.088 0.000 1.318 189 H HN 1.021 nan 8.280 nan 0.000 0.617 190 G N 0.698 109.607 108.800 0.181 0.000 2.179 190 G HA2 -0.414 3.546 3.960 0.000 0.000 0.257 190 G HA3 -0.414 3.546 3.960 0.000 0.000 0.257 190 G C 0.988 175.937 174.900 0.081 0.000 1.010 190 G CA 0.709 45.876 45.100 0.112 0.000 0.736 190 G HN 0.442 nan 8.290 nan 0.000 0.513 191 Q N -0.497 119.387 119.800 0.140 0.000 2.124 191 Q HA 0.033 4.373 4.340 0.000 0.000 0.202 191 Q C 1.589 177.608 176.000 0.032 0.000 0.977 191 Q CA 1.819 57.710 55.803 0.148 0.000 0.850 191 Q CB 0.087 28.873 28.738 0.079 0.000 0.901 191 Q HN 0.898 nan 8.270 nan 0.000 0.429 192 R N -0.254 120.240 120.500 -0.011 0.000 2.772 192 R HA 0.351 4.691 4.340 0.000 0.000 0.288 192 R C -1.581 174.633 176.300 -0.143 0.000 1.365 192 R CA -0.541 55.517 56.100 -0.071 0.000 1.023 192 R CB 0.297 30.558 30.300 -0.065 0.000 1.261 192 R HN -0.165 nan 8.270 nan 0.000 0.422 193 N N 2.118 120.670 118.700 -0.247 0.000 2.439 193 N HA 0.358 5.098 4.740 0.000 0.000 0.243 193 N C -0.058 175.079 175.510 -0.622 0.000 1.088 193 N CA 0.653 53.415 53.050 -0.480 0.000 0.940 193 N CB 1.596 39.633 38.487 -0.751 0.000 1.180 193 N HN 0.947 nan 8.380 nan 0.000 0.505 194 G N 0.868 109.413 108.800 -0.425 0.000 3.448 194 G HA2 0.020 3.980 3.960 0.000 0.000 0.685 194 G HA3 0.020 3.980 3.960 0.000 0.000 0.685 194 G C -0.444 174.338 174.900 -0.197 0.000 1.151 194 G CA -0.484 44.425 45.100 -0.319 0.000 1.023 194 G HN 0.716 nan 8.290 nan 0.000 0.499 195 T N -0.541 113.944 114.554 -0.115 0.000 2.792 195 T HA 0.914 5.264 4.350 0.000 0.000 0.303 195 T C -0.041 174.575 174.700 -0.140 0.000 1.310 195 T CA -0.166 61.846 62.100 -0.147 0.000 1.007 195 T CB 2.309 71.063 68.868 -0.190 0.000 1.335 195 T HN 2.127 nan 8.240 nan 0.000 0.504 196 M N 0.017 119.406 119.600 -0.351 0.000 2.664 196 M HA 0.765 5.245 4.480 0.000 0.000 0.279 196 M C -2.157 173.764 176.300 -0.631 0.000 1.275 196 M CA -1.242 53.843 55.300 -0.358 0.000 0.829 196 M CB 2.126 34.544 32.600 -0.303 0.000 1.727 196 M HN 0.682 nan 8.290 nan 0.000 0.459 197 Y N 0.979 121.121 120.300 -0.263 0.000 2.326 197 Y HA 0.749 5.299 4.550 0.000 0.000 0.329 197 Y C -1.135 174.602 175.900 -0.272 0.000 0.973 197 Y CA -0.755 57.184 58.100 -0.269 0.000 1.162 197 Y CB 1.869 40.182 38.460 -0.246 0.000 1.147 197 Y HN 0.631 nan 8.280 nan 0.000 0.456 198 I N 2.323 122.788 120.570 -0.175 0.000 2.582 198 I HA 0.299 4.469 4.170 0.000 0.000 0.292 198 I C 0.281 176.330 176.117 -0.114 0.000 1.066 198 I CA -0.456 60.730 61.300 -0.190 0.000 1.053 198 I CB 1.812 39.599 38.000 -0.354 0.000 1.241 198 I HN 0.674 nan 8.210 nan 0.000 0.421 199 D N 2.783 123.138 120.400 -0.075 0.000 2.249 199 D HA -0.069 4.571 4.640 0.000 0.000 0.205 199 D C 1.284 177.559 176.300 -0.042 0.000 0.962 199 D CA 1.590 55.561 54.000 -0.049 0.000 0.860 199 D CB 0.664 41.440 40.800 -0.041 0.000 0.955 199 D HN 0.675 nan 8.370 nan 0.000 0.505 200 S N -0.641 115.041 115.700 -0.030 0.000 2.857 200 S HA -0.276 4.194 4.470 0.000 0.000 0.268 200 S C 0.890 175.470 174.600 -0.034 0.000 1.297 200 S CA 1.753 59.945 58.200 -0.013 0.000 1.280 200 S CB -1.498 61.693 63.200 -0.016 0.000 1.562 200 S HN 0.362 nan 8.310 nan 0.000 0.661 201 E N 0.176 120.351 120.200 -0.041 0.000 2.465 201 E HA 0.425 4.775 4.350 0.000 0.000 0.209 201 E C 1.095 177.674 176.600 -0.035 0.000 0.951 201 E CA 0.523 56.887 56.400 -0.061 0.000 0.997 201 E CB 0.152 29.816 29.700 -0.059 0.000 1.025 201 E HN 0.723 nan 8.360 nan 0.000 0.500 202 L N 1.182 122.395 121.223 -0.016 0.000 2.872 202 L HA 0.381 4.721 4.340 0.000 0.000 0.245 202 L C -0.301 176.574 176.870 0.008 0.000 1.211 202 L CA -0.159 54.682 54.840 0.002 0.000 1.013 202 L CB 0.234 42.295 42.059 0.002 0.000 1.326 202 L HN -0.005 nan 8.230 nan 0.000 0.525 203 L N -0.722 120.503 121.223 0.003 0.000 2.343 203 L HA 0.288 4.628 4.340 0.000 0.000 0.275 203 L C 1.377 178.237 176.870 -0.015 0.000 1.056 203 L CA -0.158 54.686 54.840 0.007 0.000 0.804 203 L CB 1.892 43.968 42.059 0.029 0.000 1.203 203 L HN 0.104 nan 8.230 nan 0.000 0.440 204 S N -0.065 115.618 115.700 -0.029 0.000 2.486 204 S HA 0.406 4.876 4.470 0.000 0.000 0.220 204 S C 0.607 175.165 174.600 -0.070 0.000 1.011 204 S CA 0.223 58.387 58.200 -0.060 0.000 0.921 204 S CB 0.483 63.637 63.200 -0.076 0.000 0.785 204 S HN 0.927 nan 8.310 nan 0.000 0.517 205 G N -0.362 108.399 108.800 -0.065 0.000 2.313 205 G HA2 0.444 4.404 3.960 0.000 0.000 0.296 205 G HA3 0.444 4.404 3.960 0.000 0.000 0.296 205 G C -2.148 172.678 174.900 -0.124 0.000 1.356 205 G CA -0.346 44.702 45.100 -0.087 0.000 0.833 205 G HN 0.502 nan 8.290 nan 0.000 0.552 206 V N 0.815 120.617 119.914 -0.188 0.000 2.569 206 V HA 0.693 4.813 4.120 0.000 0.000 0.301 206 V C 0.152 176.075 176.094 -0.286 0.000 1.044 206 V CA -0.161 61.936 62.300 -0.338 0.000 0.874 206 V CB 1.742 33.241 31.823 -0.540 0.000 1.002 206 V HN 1.349 nan 8.190 nan 0.000 0.424 207 T N 3.069 117.473 114.554 -0.250 0.000 2.767 207 T HA 0.741 5.091 4.350 0.000 0.000 0.284 207 T C -0.501 174.061 174.700 -0.230 0.000 0.973 207 T CA -0.390 61.607 62.100 -0.172 0.000 0.996 207 T CB 0.862 69.730 68.868 0.001 0.000 0.927 207 T HN 0.403 nan 8.240 nan 0.000 0.456 208 I N 3.530 123.962 120.570 -0.230 0.000 2.361 208 I HA 0.217 4.387 4.170 0.000 0.000 0.282 208 I C -0.019 175.984 176.117 -0.191 0.000 1.075 208 I CA -0.670 60.495 61.300 -0.224 0.000 1.205 208 I CB 0.801 38.657 38.000 -0.240 0.000 1.406 208 I HN 0.648 nan 8.210 nan 0.000 0.481 209 D N 7.424 127.731 120.400 -0.155 0.000 2.402 209 D HA 0.154 4.795 4.640 0.000 0.000 0.235 209 D C -0.041 176.166 176.300 -0.155 0.000 1.226 209 D CA -0.079 53.841 54.000 -0.134 0.000 0.918 209 D CB 0.562 41.304 40.800 -0.097 0.000 1.043 209 D HN 0.346 nan 8.370 nan 0.000 0.506 210 K N 1.283 121.576 120.400 -0.178 0.000 2.090 210 K HA 0.680 5.000 4.320 0.000 0.000 0.250 210 K C 0.746 177.238 176.600 -0.180 0.000 1.004 210 K CA -0.694 55.469 56.287 -0.208 0.000 0.919 210 K CB 1.077 33.420 32.500 -0.261 0.000 1.045 210 K HN 0.504 nan 8.250 nan 0.000 0.471 211 G N 0.121 108.800 108.800 -0.202 0.000 2.631 211 G HA2 -0.187 3.773 3.960 0.000 0.000 0.504 211 G HA3 -0.187 3.773 3.960 0.000 0.000 0.504 211 G C -0.638 174.186 174.900 -0.126 0.000 1.306 211 G CA -0.537 44.474 45.100 -0.148 0.000 0.897 211 G HN 0.741 nan 8.290 nan 0.000 0.520 212 T N -1.080 113.413 114.554 -0.101 0.000 2.747 212 T HA 0.662 5.012 4.350 0.000 0.000 0.301 212 T C 0.699 175.339 174.700 -0.099 0.000 0.952 212 T CA 0.731 62.770 62.100 -0.102 0.000 0.983 212 T CB 0.668 69.472 68.868 -0.106 0.000 0.930 212 T HN 1.729 nan 8.240 nan 0.000 0.494 213 T N 1.089 115.587 114.554 -0.094 0.000 2.937 213 T HA 0.845 5.195 4.350 0.000 0.000 0.283 213 T C 0.377 175.025 174.700 -0.086 0.000 1.012 213 T CA -0.835 61.211 62.100 -0.090 0.000 0.997 213 T CB 1.707 70.517 68.868 -0.097 0.000 1.136 213 T HN 0.898 nan 8.240 nan 0.000 0.551 214 G N -2.063 106.684 108.800 -0.087 0.000 2.605 214 G HA2 0.752 4.712 3.960 0.000 0.000 0.296 214 G HA3 0.752 4.712 3.960 0.000 0.000 0.296 214 G C -0.020 174.774 174.900 -0.176 0.000 1.304 214 G CA -0.282 44.765 45.100 -0.088 0.000 0.941 214 G HN 1.520 nan 8.290 nan 0.000 0.475 215 G N -0.259 108.346 108.800 -0.324 0.000 2.301 215 G HA2 0.117 4.077 3.960 0.000 0.000 0.194 215 G HA3 0.117 4.077 3.960 0.000 0.000 0.194 215 G C 0.845 175.091 174.900 -1.091 0.000 1.266 215 G CA 0.696 45.336 45.100 -0.767 0.000 1.210 215 G HN 1.137 nan 8.290 nan 0.000 0.524 216 M N 0.981 120.093 119.600 -0.813 0.000 2.150 216 M HA 0.305 4.785 4.480 0.000 0.000 0.260 216 M C 2.100 178.259 176.300 -0.236 0.000 1.088 216 M CA 3.068 58.065 55.300 -0.506 0.000 1.108 216 M CB -0.725 31.737 32.600 -0.229 0.000 1.263 216 M HN 1.229 nan 8.290 nan 0.000 0.431 217 G N -0.129 108.565 108.800 -0.177 0.000 3.353 217 G HA2 0.230 4.190 3.960 0.000 0.000 0.247 217 G HA3 0.230 4.190 3.960 0.000 0.000 0.247 217 G C -0.132 174.705 174.900 -0.104 0.000 1.025 217 G CA -0.049 44.981 45.100 -0.116 0.000 1.863 217 G HN 0.468 nan 8.290 nan 0.000 0.635 218 S N -0.215 115.435 115.700 -0.084 0.000 2.668 218 S HA 0.472 4.943 4.470 0.000 0.000 0.244 218 S C 1.685 176.294 174.600 0.014 0.000 1.140 218 S CA 0.022 58.187 58.200 -0.059 0.000 1.134 218 S CB 0.692 63.835 63.200 -0.094 0.000 0.954 218 S HN 0.602 nan 8.310 nan 0.000 0.490 219 A N 1.624 124.483 122.820 0.065 0.000 1.822 219 A HA 0.289 4.609 4.320 0.000 0.000 0.214 219 A C 1.715 179.354 177.584 0.093 0.000 1.245 219 A CA 1.280 53.405 52.037 0.147 0.000 0.608 219 A CB -1.088 18.101 19.000 0.315 0.000 0.896 219 A HN 0.555 nan 8.150 nan 0.000 0.457 220 G N -0.345 108.490 108.800 0.060 0.000 3.782 220 G HA2 0.420 4.380 3.960 0.000 0.000 0.288 220 G HA3 0.420 4.380 3.960 0.000 0.000 0.288 220 G C -0.178 174.693 174.900 -0.048 0.000 1.300 220 G CA 0.109 45.193 45.100 -0.025 0.000 1.261 220 G HN 0.302 nan 8.290 nan 0.000 0.591 221 T N 1.354 115.888 114.554 -0.033 0.000 2.727 221 T HA 0.258 4.608 4.350 0.000 0.000 0.298 221 T C 0.907 175.572 174.700 -0.059 0.000 0.942 221 T CA -0.245 61.820 62.100 -0.059 0.000 0.997 221 T CB 1.513 70.341 68.868 -0.067 0.000 0.917 221 T HN -0.032 nan 8.240 nan 0.000 0.487 222 L N 2.979 124.159 121.223 -0.072 0.000 2.425 222 L HA 0.375 4.715 4.340 0.000 0.000 0.215 222 L C 2.300 179.101 176.870 -0.114 0.000 1.065 222 L CA 1.027 55.828 54.840 -0.066 0.000 0.842 222 L CB -0.485 41.555 42.059 -0.031 0.000 1.033 222 L HN 0.759 nan 8.230 nan 0.000 0.474 223 G N -1.682 107.028 108.800 -0.150 0.000 2.727 223 G HA2 0.513 4.473 3.960 0.000 0.000 0.203 223 G HA3 0.513 4.473 3.960 0.000 0.000 0.203 223 G C 0.587 175.370 174.900 -0.196 0.000 1.117 223 G CA 0.683 45.656 45.100 -0.212 0.000 0.817 223 G HN 0.511 nan 8.290 nan 0.000 0.553 224 G N -0.834 107.870 108.800 -0.159 0.000 2.323 224 G HA2 0.396 4.356 3.960 0.000 0.000 0.291 224 G HA3 0.396 4.356 3.960 0.000 0.000 0.291 224 G C -2.001 172.821 174.900 -0.130 0.000 1.278 224 G CA -0.835 44.174 45.100 -0.151 0.000 0.860 224 G HN 0.289 nan 8.290 nan 0.000 0.504 225 I N 0.878 121.369 120.570 -0.130 0.000 2.447 225 I HA 0.590 4.760 4.170 0.000 0.000 0.287 225 I C 0.214 176.254 176.117 -0.129 0.000 1.023 225 I CA -0.954 60.275 61.300 -0.119 0.000 1.083 225 I CB 2.151 40.080 38.000 -0.118 0.000 1.245 225 I HN 0.718 nan 8.210 nan 0.000 0.434 226 A N 4.607 127.367 122.820 -0.101 0.000 2.444 226 A HA 0.581 4.901 4.320 0.000 0.000 0.332 226 A C 0.004 177.518 177.584 -0.117 0.000 1.430 226 A CA -0.360 51.596 52.037 -0.135 0.000 0.975 226 A CB -0.102 18.890 19.000 -0.014 0.000 1.147 226 A HN 0.652 nan 8.150 nan 0.000 0.524 227 T N 2.750 117.169 114.554 -0.226 0.000 2.743 227 T HA 0.475 4.825 4.350 0.000 0.000 0.293 227 T C -0.659 173.860 174.700 -0.302 0.000 0.945 227 T CA 0.315 62.319 62.100 -0.159 0.000 1.030 227 T CB -0.112 68.673 68.868 -0.138 0.000 0.912 227 T HN 0.320 nan 8.240 nan 0.000 0.483 228 F N 3.273 123.159 119.950 -0.108 0.000 2.361 228 F HA 0.373 4.900 4.527 0.000 0.000 0.364 228 F C 0.726 176.468 175.800 -0.096 0.000 1.117 228 F CA -1.215 56.726 58.000 -0.098 0.000 1.071 228 F CB 0.805 39.746 39.000 -0.100 0.000 1.188 228 F HN 0.368 nan 8.300 nan 0.000 0.464 229 N N 1.991 120.699 118.700 0.014 0.000 2.426 229 N HA 0.235 4.975 4.740 0.000 0.000 0.275 229 N C -0.054 175.455 175.510 -0.003 0.000 1.019 229 N CA -0.233 52.806 53.050 -0.018 0.000 0.941 229 N CB 1.568 40.021 38.487 -0.057 0.000 1.123 229 N HN 0.582 nan 8.380 nan 0.000 0.486 230 T N -2.013 112.537 114.554 -0.008 0.000 2.922 230 T HA 0.340 4.690 4.350 0.000 0.000 0.285 230 T C 0.621 175.319 174.700 -0.004 0.000 1.005 230 T CA -0.782 61.318 62.100 -0.002 0.000 1.061 230 T CB 0.909 69.773 68.868 -0.006 0.000 1.007 230 T HN 0.090 nan 8.240 nan 0.000 0.502 231 V N 3.390 123.315 119.914 0.019 0.000 2.644 231 V HA 0.224 4.344 4.120 0.000 0.000 0.305 231 V C 0.933 177.058 176.094 0.052 0.000 1.053 231 V CA 0.416 62.747 62.300 0.052 0.000 1.186 231 V CB -0.103 31.798 31.823 0.131 0.000 0.895 231 V HN 1.205 nan 8.190 nan 0.000 0.490 232 S N 3.916 119.634 115.700 0.030 0.000 2.689 232 S HA 0.740 5.210 4.470 0.000 0.000 0.306 232 S C 0.968 175.608 174.600 0.068 0.000 1.104 232 S CA -0.250 57.962 58.200 0.020 0.000 0.973 232 S CB 1.916 65.096 63.200 -0.034 0.000 1.121 232 S HN 0.920 nan 8.310 nan 0.000 0.523 233 A N 1.509 124.356 122.820 0.045 0.000 1.933 233 A HA -0.056 4.264 4.320 0.000 0.000 0.218 233 A C 2.147 179.757 177.584 0.043 0.000 1.175 233 A CA 1.916 53.996 52.037 0.071 0.000 0.628 233 A CB -1.536 17.470 19.000 0.010 0.000 0.814 233 A HN 1.264 nan 8.150 nan 0.000 0.444 234 S N -0.122 115.558 115.700 -0.033 0.000 2.547 234 S HA -0.098 4.372 4.470 0.000 0.000 0.235 234 S C 0.778 175.286 174.600 -0.153 0.000 0.980 234 S CA 1.132 59.287 58.200 -0.075 0.000 0.941 234 S CB -0.306 62.843 63.200 -0.085 0.000 0.763 234 S HN 0.511 nan 8.310 nan 0.000 0.532 235 D N 0.157 120.402 120.400 -0.259 0.000 2.355 235 D HA 0.202 4.842 4.640 0.000 0.000 0.218 235 D C 0.366 176.145 176.300 -0.869 0.000 1.004 235 D CA 0.539 54.180 54.000 -0.598 0.000 0.880 235 D CB -0.020 40.269 40.800 -0.852 0.000 0.911 235 D HN 0.536 nan 8.370 nan 0.000 0.528 236 F N -0.761 119.126 119.950 -0.105 0.000 2.912 236 F HA 0.262 4.789 4.527 0.000 0.000 0.357 236 F C 0.805 176.545 175.800 -0.100 0.000 1.003 236 F CA -0.295 57.626 58.000 -0.133 0.000 1.132 236 F CB 0.585 39.476 39.000 -0.181 0.000 1.055 236 F HN -0.245 nan 8.300 nan 0.000 0.572 237 L N 0.204 121.469 121.223 0.071 0.000 2.431 237 L HA 0.848 5.188 4.340 0.000 0.000 0.260 237 L C 0.007 176.874 176.870 -0.006 0.000 1.098 237 L CA -0.907 53.954 54.840 0.034 0.000 0.800 237 L CB 1.297 43.372 42.059 0.026 0.000 1.210 237 L HN -0.009 nan 8.230 nan 0.000 0.465 238 A N 0.302 123.122 122.820 -0.001 0.000 2.602 238 A HA 0.626 4.947 4.320 0.000 0.000 0.290 238 A C -2.411 175.169 177.584 -0.007 0.000 1.114 238 A CA -0.979 51.051 52.037 -0.012 0.000 0.683 238 A CB 1.061 20.055 19.000 -0.009 0.000 1.281 238 A HN 0.485 nan 8.150 nan 0.000 0.416 239 P HA -0.067 nan 4.420 nan 0.000 0.217 239 P C 1.406 178.707 177.300 0.001 0.000 1.148 239 P CA 2.187 65.283 63.100 -0.007 0.000 0.828 239 P CB 0.265 31.959 31.700 -0.010 0.000 0.783 240 G N -1.336 107.466 108.800 0.003 0.000 2.545 240 G HA2 -0.052 3.908 3.960 0.000 0.000 0.212 240 G HA3 -0.052 3.908 3.960 0.000 0.000 0.212 240 G C 0.514 175.424 174.900 0.017 0.000 1.144 240 G CA -0.046 45.060 45.100 0.009 0.000 0.813 240 G HN 0.219 nan 8.290 nan 0.000 0.531 241 K N 1.135 121.547 120.400 0.019 0.000 2.258 241 K HA 0.266 4.586 4.320 0.000 0.000 0.284 241 K C -0.033 176.588 176.600 0.035 0.000 1.051 241 K CA -0.097 56.210 56.287 0.032 0.000 0.923 241 K CB 0.700 33.223 32.500 0.038 0.000 1.046 241 K HN 0.105 nan 8.250 nan 0.000 0.474 242 E N 4.067 124.293 120.200 0.044 0.000 2.603 242 E HA 0.146 4.496 4.350 0.000 0.000 0.211 242 E C -0.743 175.890 176.600 0.056 0.000 0.995 242 E CA -0.103 56.321 56.400 0.040 0.000 0.990 242 E CB 0.664 30.384 29.700 0.033 0.000 1.036 242 E HN 0.410 nan 8.360 nan 0.000 0.475 243 L N 0.123 121.396 121.223 0.083 0.000 2.614 243 L HA 0.580 4.920 4.340 0.000 0.000 0.264 243 L C -1.057 175.923 176.870 0.184 0.000 0.940 243 L CA -0.461 54.453 54.840 0.124 0.000 0.903 243 L CB 1.500 43.635 42.059 0.127 0.000 1.306 243 L HN 0.101 nan 8.230 nan 0.000 0.410 244 G N 1.860 110.749 108.800 0.148 0.000 2.749 244 G HA2 0.877 4.837 3.960 0.000 0.000 0.300 244 G HA3 0.877 4.837 3.960 0.000 0.000 0.300 244 G C -0.700 173.913 174.900 -0.478 0.000 1.352 244 G CA -0.282 44.805 45.100 -0.022 0.000 0.789 244 G HN 1.145 nan 8.290 nan 0.000 0.509 245 G N -1.170 106.946 108.800 -1.140 0.000 2.369 245 G HA2 0.510 4.470 3.960 0.000 0.000 0.293 245 G HA3 0.510 4.470 3.960 0.000 0.000 0.293 245 G C -1.673 172.271 174.900 -1.593 0.000 1.301 245 G CA -0.108 44.074 45.100 -1.530 0.000 0.913 245 G HN 0.916 nan 8.290 nan 0.000 0.540 246 K N -0.130 119.731 120.400 -0.899 0.000 2.571 246 K HA 0.557 4.877 4.320 0.000 0.000 0.252 246 K C -1.348 175.246 176.600 -0.010 0.000 0.956 246 K CA -0.783 55.303 56.287 -0.336 0.000 0.822 246 K CB 1.280 33.639 32.500 -0.235 0.000 1.286 246 K HN 0.529 nan 8.250 nan 0.000 0.439 247 L N 4.503 125.854 121.223 0.214 0.000 2.296 247 L HA 0.469 4.809 4.340 0.000 0.000 0.286 247 L C -0.282 176.724 176.870 0.228 0.000 1.023 247 L CA -0.917 54.055 54.840 0.220 0.000 0.812 247 L CB 1.410 43.618 42.059 0.248 0.000 1.223 247 L HN 0.601 nan 8.230 nan 0.000 0.421 248 H N 3.122 122.245 119.070 0.089 0.000 2.600 248 H HA 0.769 5.325 4.556 0.000 0.000 0.357 248 H C -1.721 173.637 175.328 0.051 0.000 1.106 248 H CA -0.593 55.492 56.048 0.063 0.000 1.193 248 H CB 2.295 32.070 29.762 0.021 0.000 1.594 248 H HN 0.714 nan 8.280 nan 0.000 0.526 249 A N 3.556 126.019 122.820 -0.594 0.000 2.437 249 A HA 0.482 4.802 4.320 0.000 0.000 0.293 249 A C -0.992 176.306 177.584 -0.478 0.000 1.038 249 A CA -0.196 51.617 52.037 -0.373 0.000 0.708 249 A CB 1.234 20.269 19.000 0.058 0.000 1.251 249 A HN 0.755 nan 8.150 nan 0.000 0.409 250 S N 0.905 116.373 115.700 -0.386 0.000 2.667 250 S HA 0.966 5.436 4.470 0.000 0.000 0.292 250 S C -0.401 174.174 174.600 -0.041 0.000 1.126 250 S CA -0.122 57.979 58.200 -0.166 0.000 0.881 250 S CB 2.105 65.283 63.200 -0.036 0.000 1.132 250 S HN 1.901 nan 8.310 nan 0.000 0.492 251 T N -1.012 113.559 114.554 0.029 0.000 2.775 251 T HA 0.720 5.070 4.350 0.000 0.000 0.320 251 T C -0.407 174.331 174.700 0.063 0.000 1.597 251 T CA 0.145 62.293 62.100 0.080 0.000 1.022 251 T CB 0.909 69.860 68.868 0.138 0.000 1.485 251 T HN 1.706 nan 8.240 nan 0.000 0.494 252 G N 1.335 110.173 108.800 0.064 0.000 2.650 252 G HA2 0.618 4.578 3.960 0.000 0.000 0.310 252 G HA3 0.618 4.578 3.960 0.000 0.000 0.310 252 G C -1.602 173.331 174.900 0.056 0.000 1.270 252 G CA -0.053 45.079 45.100 0.054 0.000 0.810 252 G HN 0.912 nan 8.290 nan 0.000 0.493 253 D N -1.745 118.689 120.400 0.058 0.000 2.588 253 D HA 0.416 5.056 4.640 0.000 0.000 0.268 253 D C 0.422 176.765 176.300 0.072 0.000 1.176 253 D CA -0.935 53.107 54.000 0.071 0.000 1.080 253 D CB 0.305 41.157 40.800 0.086 0.000 1.186 253 D HN 0.435 nan 8.370 nan 0.000 0.619 254 N N -1.086 117.690 118.700 0.127 0.000 2.714 254 N HA -0.179 4.561 4.740 0.000 0.000 0.253 254 N C 0.946 176.507 175.510 0.085 0.000 1.024 254 N CA 1.997 55.158 53.050 0.185 0.000 0.726 254 N CB -1.324 37.293 38.487 0.217 0.000 0.908 254 N HN 1.084 nan 8.380 nan 0.000 0.542 255 G N -2.058 106.714 108.800 -0.046 0.000 2.268 255 G HA2 -0.288 3.672 3.960 0.000 0.000 0.240 255 G HA3 -0.288 3.672 3.960 0.000 0.000 0.240 255 G C 0.332 174.979 174.900 -0.422 0.000 1.010 255 G CA 0.445 45.401 45.100 -0.241 0.000 0.618 255 G HN 0.718 nan 8.290 nan 0.000 0.516 256 T N 2.475 116.914 114.554 -0.192 0.000 3.162 256 T HA 0.364 4.714 4.350 0.000 0.000 0.264 256 T C 1.357 176.012 174.700 -0.075 0.000 0.959 256 T CA 0.155 62.184 62.100 -0.118 0.000 1.118 256 T CB 0.118 68.968 68.868 -0.030 0.000 0.979 256 T HN 0.402 nan 8.240 nan 0.000 0.679 257 H N 1.788 120.916 119.070 0.098 0.000 2.266 257 H HA 0.213 4.769 4.556 0.000 0.000 0.308 257 H C 0.281 175.737 175.328 0.214 0.000 1.057 257 H CA 0.693 56.820 56.048 0.132 0.000 1.330 257 H CB 0.126 29.966 29.762 0.130 0.000 1.400 257 H HN 0.547 nan 8.280 nan 0.000 0.503 258 F N -0.208 119.854 119.950 0.187 0.000 2.596 258 F HA 0.483 5.010 4.527 0.000 0.000 0.311 258 F C -1.610 174.262 175.800 0.119 0.000 1.116 258 F CA -0.766 57.305 58.000 0.118 0.000 0.957 258 F CB 1.733 40.783 39.000 0.083 0.000 1.250 258 F HN -0.132 nan 8.300 nan 0.000 0.444 259 I N 5.869 126.007 120.570 -0.721 0.000 2.576 259 I HA 0.471 4.641 4.170 0.000 0.000 0.279 259 I C -0.289 175.407 176.117 -0.703 0.000 1.114 259 I CA -0.397 60.574 61.300 -0.549 0.000 1.076 259 I CB 1.345 39.231 38.000 -0.190 0.000 1.212 259 I HN 0.744 nan 8.210 nan 0.000 0.472 260 G N 3.030 111.295 108.800 -0.892 0.000 2.818 260 G HA2 0.873 4.833 3.960 0.000 0.000 0.286 260 G HA3 0.873 4.833 3.960 0.000 0.000 0.286 260 G C -1.120 173.775 174.900 -0.008 0.000 1.364 260 G CA -0.653 44.237 45.100 -0.351 0.000 0.938 260 G HN 0.522 nan 8.290 nan 0.000 0.490 261 S N -1.971 113.797 115.700 0.114 0.000 2.552 261 S HA 0.749 5.219 4.470 0.000 0.000 0.272 261 S C -0.637 174.030 174.600 0.112 0.000 1.150 261 S CA -0.260 58.002 58.200 0.105 0.000 0.849 261 S CB 1.553 64.791 63.200 0.063 0.000 1.113 261 S HN 1.783 nan 8.310 nan 0.000 0.458 262 G N 0.929 109.778 108.800 0.083 0.000 2.609 262 G HA2 0.699 4.659 3.960 0.000 0.000 0.308 262 G HA3 0.699 4.659 3.960 0.000 0.000 0.308 262 G C -1.141 173.759 174.900 -0.000 0.000 1.369 262 G CA -0.810 44.328 45.100 0.063 0.000 0.958 262 G HN 0.805 nan 8.290 nan 0.000 0.499 263 I N 2.222 122.740 120.570 -0.087 0.000 2.466 263 I HA 0.418 4.588 4.170 0.000 0.000 0.289 263 I C -0.720 175.235 176.117 -0.270 0.000 1.026 263 I CA -0.692 60.482 61.300 -0.211 0.000 1.078 263 I CB 2.213 39.971 38.000 -0.403 0.000 1.249 263 I HN 0.115 nan 8.210 nan 0.000 0.429 264 L N 5.951 127.079 121.223 -0.157 0.000 2.381 264 L HA 0.825 5.165 4.340 0.000 0.000 0.274 264 L C -0.264 176.551 176.870 -0.091 0.000 0.988 264 L CA -0.506 54.283 54.840 -0.085 0.000 0.824 264 L CB 1.930 44.018 42.059 0.049 0.000 1.263 264 L HN 0.676 nan 8.230 nan 0.000 0.410 265 A N 4.723 127.484 122.820 -0.099 0.000 2.380 265 A HA 1.022 5.342 4.320 0.000 0.000 0.315 265 A C -0.985 176.613 177.584 0.024 0.000 1.101 265 A CA -0.558 51.465 52.037 -0.023 0.000 0.771 265 A CB 1.870 20.885 19.000 0.024 0.000 1.287 265 A HN 0.743 nan 8.150 nan 0.000 0.436 266 L N -0.926 120.309 121.223 0.020 0.000 2.611 266 L HA 0.922 5.262 4.340 0.000 0.000 0.260 266 L C -0.427 176.446 176.870 0.005 0.000 0.924 266 L CA -0.321 54.536 54.840 0.029 0.000 0.901 266 L CB 1.579 43.662 42.059 0.040 0.000 1.369 266 L HN 1.417 nan 8.230 nan 0.000 0.415 267 G N 1.420 110.224 108.800 0.008 0.000 2.523 267 G HA2 0.503 4.463 3.960 0.000 0.000 0.291 267 G HA3 0.503 4.463 3.960 0.000 0.000 0.291 267 G C -1.627 173.275 174.900 0.003 0.000 1.450 267 G CA -0.170 44.926 45.100 -0.007 0.000 0.790 267 G HN 0.985 nan 8.290 nan 0.000 0.496 268 N N -1.106 117.596 118.700 0.002 0.000 2.948 268 N HA 0.366 5.106 4.740 0.000 0.000 0.323 268 N C 0.456 175.971 175.510 0.008 0.000 1.374 268 N CA -0.418 52.638 53.050 0.010 0.000 0.765 268 N CB 0.457 38.955 38.487 0.018 0.000 1.152 268 N HN 0.295 nan 8.380 nan 0.000 0.528 269 E N -0.946 119.263 120.200 0.016 0.000 2.489 269 E HA 0.039 4.390 4.350 0.000 0.000 0.193 269 E C 0.458 177.076 176.600 0.029 0.000 1.057 269 E CA 0.610 57.020 56.400 0.017 0.000 0.866 269 E CB -0.300 29.410 29.700 0.017 0.000 0.916 269 E HN 0.813 nan 8.360 nan 0.000 0.500 270 T N -3.271 111.306 114.554 0.039 0.000 3.044 270 T HA 0.485 4.835 4.350 0.000 0.000 0.260 270 T C 0.806 175.555 174.700 0.082 0.000 1.019 270 T CA 0.195 62.339 62.100 0.074 0.000 0.921 270 T CB 1.036 69.958 68.868 0.089 0.000 1.053 270 T HN 0.129 nan 8.240 nan 0.000 0.533 271 G N 1.115 109.922 108.800 0.012 0.000 2.333 271 G HA2 0.468 4.428 3.960 0.000 0.000 0.288 271 G HA3 0.468 4.428 3.960 0.000 0.000 0.288 271 G C -2.486 172.351 174.900 -0.105 0.000 1.286 271 G CA -0.205 44.846 45.100 -0.081 0.000 0.865 271 G HN 0.703 nan 8.290 nan 0.000 0.506 272 D N -2.028 118.261 120.400 -0.186 0.000 2.842 272 D HA 0.497 5.137 4.640 0.000 0.000 0.248 272 D C -1.560 174.636 176.300 -0.174 0.000 1.140 272 D CA -0.377 53.544 54.000 -0.133 0.000 0.728 272 D CB 1.102 41.853 40.800 -0.083 0.000 1.595 272 D HN 1.156 nan 8.370 nan 0.000 0.450 273 I N 0.520 121.026 120.570 -0.107 0.000 2.498 273 I HA 0.648 4.818 4.170 0.000 0.000 0.290 273 I C -1.974 174.116 176.117 -0.045 0.000 1.032 273 I CA -0.918 60.326 61.300 -0.095 0.000 1.073 273 I CB 1.685 39.638 38.000 -0.078 0.000 1.251 273 I HN 0.574 nan 8.210 nan 0.000 0.426 274 L N 8.546 129.748 121.223 -0.034 0.000 2.349 274 L HA 0.587 4.927 4.340 0.000 0.000 0.278 274 L C -1.940 174.930 176.870 0.001 0.000 0.996 274 L CA -0.607 54.228 54.840 -0.009 0.000 0.825 274 L CB 1.489 43.555 42.059 0.011 0.000 1.243 274 L HN 0.637 nan 8.230 nan 0.000 0.412 275 L N 5.030 126.252 121.223 -0.002 0.000 2.333 275 L HA 0.814 5.154 4.340 0.000 0.000 0.280 275 L C -0.255 176.617 176.870 0.003 0.000 1.004 275 L CA -0.395 54.453 54.840 0.013 0.000 0.820 275 L CB 1.794 43.864 42.059 0.018 0.000 1.247 275 L HN 0.778 nan 8.230 nan 0.000 0.416 276 A N 2.918 125.749 122.820 0.019 0.000 2.566 276 A HA 1.015 5.335 4.320 0.000 0.000 0.292 276 A C -1.365 176.243 177.584 0.039 0.000 1.112 276 A CA -0.345 51.700 52.037 0.013 0.000 0.707 276 A CB 2.177 21.178 19.000 0.001 0.000 1.302 276 A HN 0.796 nan 8.150 nan 0.000 0.409 277 A N 0.115 122.962 122.820 0.045 0.000 2.604 277 A HA 0.864 5.184 4.320 0.000 0.000 0.295 277 A C -0.519 177.110 177.584 0.074 0.000 1.067 277 A CA 0.203 52.279 52.037 0.066 0.000 0.683 277 A CB 1.161 20.211 19.000 0.083 0.000 1.281 277 A HN 2.322 nan 8.150 nan 0.000 0.407 278 S N 0.702 116.448 115.700 0.076 0.000 2.569 278 S HA 0.854 5.324 4.470 0.000 0.000 0.280 278 S C -1.340 173.315 174.600 0.092 0.000 1.111 278 S CA -0.765 57.477 58.200 0.070 0.000 0.887 278 S CB 2.038 65.250 63.200 0.020 0.000 1.095 278 S HN 0.614 nan 8.310 nan 0.000 0.476 279 E N 1.116 121.384 120.200 0.113 0.000 2.224 279 E HA 0.417 4.767 4.350 0.000 0.000 0.265 279 E C -0.988 175.619 176.600 0.013 0.000 0.878 279 E CA -0.457 56.037 56.400 0.157 0.000 0.759 279 E CB 2.453 32.454 29.700 0.502 0.000 1.164 279 E HN 0.711 nan 8.360 nan 0.000 0.414 280 R N 3.305 123.687 120.500 -0.197 0.000 2.451 280 R HA 0.324 4.664 4.340 0.000 0.000 0.307 280 R C -1.170 174.839 176.300 -0.485 0.000 0.965 280 R CA -0.392 55.556 56.100 -0.252 0.000 0.865 280 R CB 0.735 30.872 30.300 -0.272 0.000 1.174 280 R HN 0.520 nan 8.270 nan 0.000 0.455 281 H N 6.539 125.568 119.070 -0.069 0.000 2.860 281 H HA 0.333 4.889 4.556 0.000 0.000 0.312 281 H C -0.657 174.705 175.328 0.056 0.000 0.995 281 H CA -0.586 55.462 56.048 -0.000 0.000 1.311 281 H CB 1.515 31.356 29.762 0.132 0.000 1.478 281 H HN 0.374 nan 8.280 nan 0.000 0.508 282 L N 1.595 122.822 121.223 0.007 0.000 2.323 282 L HA 0.717 5.057 4.340 0.000 0.000 0.265 282 L C 0.754 177.727 176.870 0.171 0.000 1.012 282 L CA -0.984 53.851 54.840 -0.008 0.000 0.820 282 L CB 2.392 44.338 42.059 -0.188 0.000 1.334 282 L HN 0.584 nan 8.230 nan 0.000 0.427 283 G N -0.798 108.039 108.800 0.061 0.000 3.042 283 G HA2 0.448 4.408 3.960 0.000 0.000 0.278 283 G HA3 0.448 4.408 3.960 0.000 0.000 0.278 283 G C -1.472 173.512 174.900 0.139 0.000 1.371 283 G CA -0.562 44.652 45.100 0.190 0.000 1.009 283 G HN 0.463 nan 8.290 nan 0.000 0.523 284 D N 0.310 120.757 120.400 0.078 0.000 2.455 284 D HA 0.332 4.972 4.640 0.000 0.000 0.241 284 D C -0.241 175.977 176.300 -0.137 0.000 1.138 284 D CA 0.750 54.704 54.000 -0.076 0.000 0.877 284 D CB 0.696 41.392 40.800 -0.173 0.000 1.187 284 D HN 0.380 nan 8.370 nan 0.000 0.451 285 Y N -1.221 118.982 120.300 -0.161 0.000 2.587 285 Y HA 0.673 5.223 4.550 0.000 0.000 0.337 285 Y C -0.733 175.059 175.900 -0.180 0.000 1.065 285 Y CA -1.699 56.322 58.100 -0.131 0.000 1.126 285 Y CB 0.585 39.034 38.460 -0.018 0.000 1.279 285 Y HN 0.254 nan 8.280 nan 0.000 0.489 286 W N 2.449 123.864 121.300 0.192 0.000 2.316 286 W HA 0.580 5.240 4.660 0.000 0.000 0.321 286 W C -2.296 174.366 176.519 0.238 0.000 1.203 286 W CA -1.582 55.833 57.345 0.118 0.000 1.214 286 W CB 0.891 30.413 29.460 0.103 0.000 1.169 286 W HN 0.355 nan 8.180 nan 0.000 0.561 287 P HA 0.214 nan 4.420 nan 0.000 0.289 287 P C 0.301 177.779 177.300 0.297 0.000 1.299 287 P CA -0.430 62.863 63.100 0.322 0.000 0.766 287 P CB 0.424 32.245 31.700 0.203 0.000 1.226 288 G N -0.385 108.568 108.800 0.255 0.000 2.636 288 G HA2 0.042 4.002 3.960 0.000 0.000 0.246 288 G HA3 0.042 4.002 3.960 0.000 0.000 0.246 288 G C 0.509 175.517 174.900 0.180 0.000 1.216 288 G CA 0.072 45.308 45.100 0.226 0.000 0.854 288 G HN 0.529 nan 8.290 nan 0.000 0.572 289 N N -1.529 117.256 118.700 0.143 0.000 2.419 289 N HA 0.050 4.790 4.740 0.000 0.000 0.216 289 N C 0.403 175.970 175.510 0.096 0.000 1.118 289 N CA 0.351 53.464 53.050 0.105 0.000 0.850 289 N CB 0.378 38.906 38.487 0.068 0.000 1.292 289 N HN 0.254 nan 8.380 nan 0.000 0.467 290 K N 0.518 120.983 120.400 0.108 0.000 2.106 290 K HA 0.624 4.944 4.320 0.000 0.000 0.246 290 K C 0.484 177.160 176.600 0.126 0.000 0.987 290 K CA -0.125 56.224 56.287 0.103 0.000 0.904 290 K CB 0.555 33.113 32.500 0.097 0.000 1.071 290 K HN 0.269 nan 8.250 nan 0.000 0.453 291 G N 1.285 110.157 108.800 0.120 0.000 2.795 291 G HA2 -0.165 3.795 3.960 0.000 0.000 0.664 291 G HA3 -0.165 3.795 3.960 0.000 0.000 0.664 291 G C -1.366 173.618 174.900 0.141 0.000 1.381 291 G CA -0.721 44.463 45.100 0.139 0.000 0.853 291 G HN 0.485 nan 8.290 nan 0.000 0.545 292 D N -0.191 120.302 120.400 0.154 0.000 2.217 292 D HA 0.698 5.338 4.640 0.000 0.000 0.248 292 D C 1.323 177.732 176.300 0.183 0.000 1.008 292 D CA 0.296 54.393 54.000 0.162 0.000 0.914 292 D CB 1.610 42.503 40.800 0.156 0.000 1.182 292 D HN 0.789 nan 8.370 nan 0.000 0.451 293 I N -2.822 117.861 120.570 0.189 0.000 3.861 293 I HA 0.678 4.848 4.170 0.000 0.000 0.262 293 I C 0.849 177.070 176.117 0.174 0.000 1.269 293 I CA -1.260 60.148 61.300 0.180 0.000 1.140 293 I CB 0.231 38.322 38.000 0.153 0.000 1.424 293 I HN 0.293 nan 8.210 nan 0.000 0.527 294 G N 0.915 109.795 108.800 0.132 0.000 2.460 294 G HA2 -0.093 3.867 3.960 0.000 0.000 0.230 294 G HA3 -0.093 3.867 3.960 0.000 0.000 0.230 294 G C -0.017 174.932 174.900 0.082 0.000 1.248 294 G CA 0.447 45.585 45.100 0.063 0.000 0.863 294 G HN 0.865 nan 8.290 nan 0.000 0.549 295 N N 0.204 118.871 118.700 -0.055 0.000 2.325 295 N HA 0.024 4.764 4.740 0.000 0.000 0.220 295 N C 1.782 177.161 175.510 -0.218 0.000 1.176 295 N CA -0.059 52.880 53.050 -0.184 0.000 0.861 295 N CB 0.291 38.675 38.487 -0.172 0.000 1.230 295 N HN 0.314 nan 8.380 nan 0.000 0.479 296 I N 0.290 120.745 120.570 -0.192 0.000 2.628 296 I HA 0.143 4.313 4.170 0.000 0.000 0.255 296 I C 2.208 178.221 176.117 -0.174 0.000 1.119 296 I CA 0.594 61.771 61.300 -0.205 0.000 1.448 296 I CB -0.945 36.897 38.000 -0.264 0.000 1.133 296 I HN 0.106 nan 8.210 nan 0.000 0.438 297 R N 2.139 122.538 120.500 -0.167 0.000 2.066 297 R HA 0.067 4.408 4.340 0.000 0.000 0.232 297 R C 0.768 177.012 176.300 -0.094 0.000 1.131 297 R CA 1.330 57.346 56.100 -0.140 0.000 0.955 297 R CB -0.574 29.639 30.300 -0.146 0.000 0.851 297 R HN 0.240 nan 8.270 nan 0.000 0.432 298 I N 1.995 122.549 120.570 -0.026 0.000 2.307 298 I HA 0.278 4.448 4.170 0.000 0.000 0.289 298 I C -0.469 175.723 176.117 0.126 0.000 1.021 298 I CA -0.602 60.745 61.300 0.078 0.000 1.224 298 I CB 0.879 39.001 38.000 0.203 0.000 1.376 298 I HN 0.369 nan 8.210 nan 0.000 0.470 299 N N 4.328 123.071 118.700 0.072 0.000 3.631 299 N HA 0.145 4.885 4.740 0.000 0.000 0.366 299 N C -0.000 175.531 175.510 0.036 0.000 1.369 299 N CA -0.544 52.495 53.050 -0.019 0.000 0.757 299 N CB 0.111 38.491 38.487 -0.178 0.000 2.886 299 N HN 0.336 nan 8.380 nan 0.000 0.480 300 N N -0.548 118.142 118.700 -0.016 0.000 2.900 300 N HA -0.158 4.582 4.740 0.000 0.000 0.240 300 N C -0.942 174.599 175.510 0.052 0.000 0.953 300 N CA 1.613 54.668 53.050 0.009 0.000 0.950 300 N CB -1.437 37.055 38.487 0.007 0.000 1.102 300 N HN 0.721 nan 8.380 nan 0.000 0.593 301 D N -1.954 118.505 120.400 0.098 0.000 3.027 301 D HA -0.207 4.433 4.640 0.000 0.000 0.224 301 D C 0.327 176.703 176.300 0.127 0.000 1.193 301 D CA 1.780 55.858 54.000 0.131 0.000 0.858 301 D CB -1.953 38.897 40.800 0.083 0.000 1.104 301 D HN 0.769 nan 8.370 nan 0.000 0.406 302 T N -2.715 111.921 114.554 0.137 0.000 4.210 302 T HA 0.424 4.774 4.350 0.000 0.000 0.229 302 T C 1.223 176.053 174.700 0.217 0.000 0.813 302 T CA 0.361 62.541 62.100 0.134 0.000 0.888 302 T CB 0.024 68.951 68.868 0.098 0.000 1.327 302 T HN 0.470 nan 8.240 nan 0.000 0.739 303 G N 1.062 109.980 108.800 0.197 0.000 3.800 303 G HA2 0.012 3.972 3.960 0.000 0.000 0.221 303 G HA3 0.012 3.972 3.960 0.000 0.000 0.221 303 G C -0.250 174.594 174.900 -0.093 0.000 0.893 303 G CA -0.573 44.627 45.100 0.166 0.000 0.986 303 G HN 0.514 nan 8.290 nan 0.000 0.719 304 N N -1.272 117.427 118.700 -0.001 0.000 2.483 304 N HA -0.190 4.550 4.740 0.000 0.000 0.280 304 N C 0.416 175.891 175.510 -0.059 0.000 1.315 304 N CA 0.929 53.947 53.050 -0.053 0.000 0.637 304 N CB -1.677 36.723 38.487 -0.145 0.000 0.893 304 N HN 0.683 nan 8.380 nan 0.000 0.535 305 Y N 1.545 121.862 120.300 0.030 0.000 2.132 305 Y HA -0.338 4.212 4.550 0.000 0.000 0.280 305 Y C 1.607 177.530 175.900 0.039 0.000 1.193 305 Y CA 2.398 60.560 58.100 0.103 0.000 1.157 305 Y CB 0.078 38.584 38.460 0.077 0.000 0.966 305 Y HN 0.487 nan 8.280 nan 0.000 0.511 306 D N -0.037 120.265 120.400 -0.163 0.000 2.123 306 D HA -0.207 4.433 4.640 0.000 0.000 0.196 306 D C 2.237 178.384 176.300 -0.255 0.000 0.992 306 D CA 1.627 55.478 54.000 -0.248 0.000 0.833 306 D CB -0.448 40.313 40.800 -0.065 0.000 0.954 306 D HN 0.454 nan 8.370 nan 0.000 0.455 307 R N -0.550 119.800 120.500 -0.250 0.000 2.066 307 R HA -0.155 4.185 4.340 0.000 0.000 0.232 307 R C 2.137 178.314 176.300 -0.206 0.000 1.131 307 R CA 1.016 56.969 56.100 -0.244 0.000 0.955 307 R CB -0.229 29.883 30.300 -0.313 0.000 0.851 307 R HN 0.171 nan 8.270 nan 0.000 0.432 308 Y N 0.350 120.562 120.300 -0.147 0.000 2.145 308 Y HA -0.113 4.437 4.550 0.000 0.000 0.286 308 Y C 2.478 178.259 175.900 -0.198 0.000 1.145 308 Y CA 1.066 59.078 58.100 -0.147 0.000 1.148 308 Y CB -0.943 37.446 38.460 -0.119 0.000 0.981 308 Y HN 0.213 nan 8.280 nan 0.000 0.507 309 A N 0.059 122.753 122.820 -0.210 0.000 1.865 309 A HA -0.287 4.033 4.320 0.000 0.000 0.217 309 A C 2.240 179.764 177.584 -0.099 0.000 1.191 309 A CA 2.054 53.944 52.037 -0.246 0.000 0.623 309 A CB -0.892 17.761 19.000 -0.578 0.000 0.826 309 A HN 0.540 nan 8.150 nan 0.000 0.444 310 E N 0.223 120.359 120.200 -0.106 0.000 2.150 310 E HA -0.160 4.190 4.350 0.000 0.000 0.193 310 E C 2.087 178.695 176.600 0.013 0.000 0.985 310 E CA 1.398 57.777 56.400 -0.035 0.000 0.814 310 E CB -0.107 29.566 29.700 -0.045 0.000 0.752 310 E HN 0.756 nan 8.360 nan 0.000 0.466 311 S N 0.053 115.761 115.700 0.014 0.000 2.428 311 S HA -0.076 4.394 4.470 0.000 0.000 0.230 311 S C 1.973 176.623 174.600 0.083 0.000 1.014 311 S CA 0.602 58.832 58.200 0.051 0.000 0.957 311 S CB -0.294 62.936 63.200 0.050 0.000 0.784 311 S HN 0.294 nan 8.310 nan 0.000 0.499 312 I N 1.430 122.044 120.570 0.073 0.000 2.333 312 I HA -0.056 4.114 4.170 0.000 0.000 0.246 312 I C 2.452 178.660 176.117 0.152 0.000 1.106 312 I CA 0.986 62.356 61.300 0.118 0.000 1.411 312 I CB -0.205 37.853 38.000 0.096 0.000 1.082 312 I HN 0.248 nan 8.210 nan 0.000 0.420 313 K N 0.743 121.217 120.400 0.122 0.000 2.280 313 K HA -0.092 4.228 4.320 0.000 0.000 0.202 313 K C 0.743 177.450 176.600 0.178 0.000 1.047 313 K CA 0.903 57.273 56.287 0.139 0.000 0.942 313 K CB -0.076 32.485 32.500 0.102 0.000 0.739 313 K HN 0.260 nan 8.250 nan 0.000 0.457 314 N N 0.709 119.515 118.700 0.178 0.000 2.275 314 N HA 0.092 4.833 4.740 0.000 0.000 0.236 314 N C -0.906 174.835 175.510 0.385 0.000 1.154 314 N CA 0.075 53.254 53.050 0.215 0.000 0.866 314 N CB 0.512 39.069 38.487 0.117 0.000 1.093 314 N HN 0.077 nan 8.380 nan 0.000 0.515 315 N N 0.324 119.250 118.700 0.377 0.000 2.277 315 N HA 0.217 4.957 4.740 0.000 0.000 0.286 315 N C -0.371 175.132 175.510 -0.010 0.000 1.140 315 N CA -0.465 52.758 53.050 0.287 0.000 0.799 315 N CB 2.072 40.653 38.487 0.157 0.000 1.596 315 N HN -0.120 nan 8.380 nan 0.000 0.473 316 K N 0.713 120.797 120.400 -0.527 0.000 2.440 316 K HA 0.164 4.484 4.320 0.000 0.000 0.270 316 K C 0.245 176.619 176.600 -0.377 0.000 0.980 316 K CA 0.010 55.895 56.287 -0.670 0.000 0.953 316 K CB 0.607 32.589 32.500 -0.863 0.000 0.925 316 K HN 0.377 nan 8.250 nan 0.000 0.497 317 I N 4.126 124.368 120.570 -0.546 0.000 2.416 317 I HA 0.041 4.211 4.170 0.000 0.000 0.288 317 I C -1.534 174.337 176.117 -0.410 0.000 1.051 317 I CA -2.428 58.551 61.300 -0.536 0.000 1.375 317 I CB 0.540 38.057 38.000 -0.805 0.000 1.407 317 I HN 0.362 nan 8.210 nan 0.000 0.516 318 P HA -0.152 nan 4.420 nan 0.000 0.214 318 P C 0.099 177.368 177.300 -0.051 0.000 1.169 318 P CA 1.700 64.745 63.100 -0.091 0.000 0.908 318 P CB 0.298 32.013 31.700 0.026 0.000 0.791 319 D N -2.725 117.596 120.400 -0.133 0.000 2.938 319 D HA 0.093 4.733 4.640 0.000 0.000 0.369 319 D C 0.732 176.914 176.300 -0.196 0.000 1.301 319 D CA 0.233 54.163 54.000 -0.117 0.000 0.805 319 D CB -0.154 40.587 40.800 -0.098 0.000 1.161 319 D HN 0.161 nan 8.370 nan 0.000 0.474 320 T N -3.474 111.012 114.554 -0.113 0.000 3.051 320 T HA -0.060 4.290 4.350 0.000 0.000 0.255 320 T C 1.224 176.007 174.700 0.140 0.000 1.085 320 T CA 0.131 62.225 62.100 -0.010 0.000 1.109 320 T CB -0.174 68.702 68.868 0.013 0.000 0.921 320 T HN 0.351 nan 8.240 nan 0.000 0.488 321 H N 1.328 120.467 119.070 0.115 0.000 2.852 321 H HA 0.385 4.941 4.556 0.000 0.000 0.362 321 H C -0.301 175.174 175.328 0.245 0.000 1.122 321 H CA -0.251 55.892 56.048 0.157 0.000 1.419 321 H CB 0.094 29.930 29.762 0.124 0.000 1.401 321 H HN 0.582 nan 8.280 nan 0.000 0.609 322 Y N -0.622 119.728 120.300 0.084 0.000 2.774 322 Y HA 0.506 5.056 4.550 0.000 0.000 0.346 322 Y C -1.846 174.042 175.900 -0.020 0.000 1.222 322 Y CA -1.461 56.624 58.100 -0.025 0.000 1.088 322 Y CB 1.047 39.439 38.460 -0.112 0.000 1.354 322 Y HN 0.891 nan 8.280 nan 0.000 0.455 323 R N 2.877 123.360 120.500 -0.028 0.000 2.673 323 R HA 0.851 5.191 4.340 0.000 0.000 0.281 323 R C -1.472 174.687 176.300 -0.235 0.000 0.991 323 R CA -1.106 54.793 56.100 -0.336 0.000 0.896 323 R CB 2.642 32.768 30.300 -0.290 0.000 1.201 323 R HN 0.929 nan 8.270 nan 0.000 0.457 324 M N 0.756 120.095 119.600 -0.435 0.000 2.326 324 M HA 0.482 4.962 4.480 0.000 0.000 0.292 324 M C -1.474 174.551 176.300 -0.459 0.000 1.081 324 M CA -0.881 54.238 55.300 -0.301 0.000 0.919 324 M CB 2.630 35.201 32.600 -0.048 0.000 1.634 324 M HN 0.588 nan 8.290 nan 0.000 0.451 325 H N 2.422 121.461 119.070 -0.052 0.000 2.673 325 H HA 0.496 5.052 4.556 0.000 0.000 0.293 325 H C -0.680 174.640 175.328 -0.014 0.000 1.065 325 H CA -0.523 55.516 56.048 -0.016 0.000 1.236 325 H CB 1.133 30.904 29.762 0.014 0.000 1.389 325 H HN 0.894 nan 8.280 nan 0.000 0.481 326 S N 3.998 119.736 115.700 0.064 0.000 2.681 326 S HA 0.819 5.289 4.470 0.000 0.000 0.299 326 S C 0.087 174.718 174.600 0.053 0.000 1.113 326 S CA -1.144 57.077 58.200 0.034 0.000 1.013 326 S CB 2.435 65.629 63.200 -0.011 0.000 1.076 326 S HN 0.824 nan 8.310 nan 0.000 0.534 327 R N -0.008 120.515 120.500 0.037 0.000 2.647 327 R HA 0.590 4.930 4.340 0.000 0.000 0.260 327 R C -2.267 174.069 176.300 0.060 0.000 1.154 327 R CA -0.867 55.268 56.100 0.058 0.000 1.029 327 R CB 0.467 30.820 30.300 0.087 0.000 1.262 327 R HN 0.516 nan 8.270 nan 0.000 0.437 328 L N 2.024 123.281 121.223 0.058 0.000 2.334 328 L HA 0.926 5.266 4.340 0.000 0.000 0.273 328 L C -1.099 175.827 176.870 0.094 0.000 1.013 328 L CA -0.467 54.408 54.840 0.059 0.000 0.816 328 L CB 2.050 44.127 42.059 0.030 0.000 1.278 328 L HN 0.984 nan 8.230 nan 0.000 0.431 329 A N 4.057 126.953 122.820 0.126 0.000 2.465 329 A HA 0.766 5.086 4.320 0.000 0.000 0.292 329 A C -1.296 176.346 177.584 0.096 0.000 1.041 329 A CA -0.698 51.405 52.037 0.110 0.000 0.718 329 A CB 1.059 20.139 19.000 0.133 0.000 1.266 329 A HN 0.626 nan 8.150 nan 0.000 0.403 330 K N 1.155 121.579 120.400 0.041 0.000 2.468 330 K HA 0.668 4.988 4.320 0.000 0.000 0.252 330 K C -1.508 175.054 176.600 -0.063 0.000 0.932 330 K CA -0.736 55.558 56.287 0.011 0.000 0.794 330 K CB 2.879 35.380 32.500 0.002 0.000 1.241 330 K HN 0.363 nan 8.250 nan 0.000 0.428 331 V N 1.782 121.625 119.914 -0.118 0.000 2.443 331 V HA 0.541 4.661 4.120 0.000 0.000 0.293 331 V C -0.024 175.745 176.094 -0.541 0.000 1.021 331 V CA -0.771 61.325 62.300 -0.341 0.000 0.848 331 V CB 1.705 33.307 31.823 -0.369 0.000 0.998 331 V HN 0.939 nan 8.190 nan 0.000 0.424 332 G N 3.601 112.063 108.800 -0.564 0.000 2.432 332 G HA2 0.682 4.642 3.960 0.000 0.000 0.331 332 G HA3 0.682 4.642 3.960 0.000 0.000 0.331 332 G C -1.458 173.120 174.900 -0.538 0.000 1.170 332 G CA -0.478 44.379 45.100 -0.404 0.000 0.943 332 G HN 0.532 nan 8.290 nan 0.000 0.483 333 W N 1.355 122.684 121.300 0.049 0.000 2.619 333 W HA 0.300 4.960 4.660 0.000 0.000 0.327 333 W C -0.806 175.735 176.519 0.037 0.000 1.027 333 W CA -1.034 56.342 57.345 0.053 0.000 1.233 333 W CB 2.000 31.508 29.460 0.080 0.000 1.370 333 W HN 0.332 nan 8.180 nan 0.000 0.453 334 N N 3.408 122.223 118.700 0.192 0.000 2.419 334 N HA 0.423 5.163 4.740 0.000 0.000 0.264 334 N C -0.521 175.071 175.510 0.137 0.000 1.031 334 N CA -0.288 52.834 53.050 0.120 0.000 0.951 334 N CB 1.621 40.143 38.487 0.059 0.000 1.101 334 N HN 0.117 nan 8.380 nan 0.000 0.488 335 L N 2.956 124.249 121.223 0.118 0.000 2.286 335 L HA 0.619 4.959 4.340 0.000 0.000 0.265 335 L C -1.843 175.068 176.870 0.068 0.000 1.012 335 L CA -1.941 52.963 54.840 0.106 0.000 0.818 335 L CB 0.636 42.773 42.059 0.129 0.000 1.337 335 L HN 0.359 nan 8.230 nan 0.000 0.438 336 P HA 0.181 nan 4.420 nan 0.000 0.271 336 P C 0.138 177.456 177.300 0.031 0.000 1.233 336 P CA 0.853 63.977 63.100 0.040 0.000 0.795 336 P CB 0.247 31.971 31.700 0.040 0.000 0.936 337 A N 0.688 123.518 122.820 0.016 0.000 5.150 337 A HA -0.299 4.021 4.320 0.000 0.000 0.324 337 A C 0.939 178.514 177.584 -0.014 0.000 1.862 337 A CA 1.930 53.967 52.037 -0.001 0.000 0.710 337 A CB -2.101 16.899 19.000 0.000 0.000 1.367 337 A HN 0.606 nan 8.150 nan 0.000 0.380 338 N N 0.579 119.262 118.700 -0.029 0.000 2.622 338 N HA 0.288 5.028 4.740 0.000 0.000 0.304 338 N C -0.822 174.642 175.510 -0.078 0.000 1.844 338 N CA 0.268 53.288 53.050 -0.050 0.000 0.886 338 N CB 0.327 38.774 38.487 -0.068 0.000 1.366 338 N HN 0.611 nan 8.380 nan 0.000 0.491 339 Q N 0.368 120.141 119.800 -0.045 0.000 2.230 339 Q HA 0.439 4.779 4.340 0.000 0.000 0.248 339 Q C -0.437 175.535 176.000 -0.046 0.000 0.915 339 Q CA -0.437 55.320 55.803 -0.077 0.000 0.900 339 Q CB 1.929 30.712 28.738 0.074 0.000 1.229 339 Q HN -0.016 nan 8.270 nan 0.000 0.439 340 R N 2.418 122.848 120.500 -0.116 0.000 2.510 340 R HA 0.362 4.702 4.340 0.000 0.000 0.294 340 R C -1.924 174.410 176.300 0.057 0.000 1.056 340 R CA -0.536 55.554 56.100 -0.016 0.000 0.918 340 R CB 0.993 31.242 30.300 -0.084 0.000 1.187 340 R HN 0.552 nan 8.270 nan 0.000 0.437 341 L N 3.619 124.990 121.223 0.248 0.000 2.296 341 L HA 0.527 4.867 4.340 0.000 0.000 0.286 341 L C -0.022 177.061 176.870 0.355 0.000 1.023 341 L CA -0.362 54.673 54.840 0.325 0.000 0.812 341 L CB 1.642 44.005 42.059 0.506 0.000 1.223 341 L HN 0.587 nan 8.230 nan 0.000 0.421 342 Q N 3.396 123.285 119.800 0.148 0.000 2.337 342 Q HA 0.565 4.905 4.340 0.000 0.000 0.270 342 Q C -1.636 174.484 176.000 0.200 0.000 1.043 342 Q CA -0.620 55.255 55.803 0.121 0.000 0.794 342 Q CB 2.424 31.164 28.738 0.004 0.000 1.281 342 Q HN 0.569 nan 8.270 nan 0.000 0.446 343 L N 3.149 124.524 121.223 0.252 0.000 2.265 343 L HA 0.501 4.841 4.340 0.000 0.000 0.289 343 L C -0.292 176.683 176.870 0.175 0.000 1.033 343 L CA -0.542 54.469 54.840 0.284 0.000 0.814 343 L CB 1.544 43.817 42.059 0.356 0.000 1.203 343 L HN 0.653 nan 8.230 nan 0.000 0.423 344 S N 2.671 118.481 115.700 0.183 0.000 2.532 344 S HA 0.664 5.134 4.470 0.000 0.000 0.301 344 S C -1.133 173.609 174.600 0.237 0.000 1.083 344 S CA -0.693 57.600 58.200 0.155 0.000 1.025 344 S CB 1.996 65.248 63.200 0.086 0.000 1.056 344 S HN 0.494 nan 8.310 nan 0.000 0.494 345 Y N 2.262 122.602 120.300 0.066 0.000 2.362 345 Y HA 0.630 5.180 4.550 0.000 0.000 0.326 345 Y C -1.992 173.934 175.900 0.042 0.000 1.083 345 Y CA -1.066 57.074 58.100 0.068 0.000 1.073 345 Y CB 1.409 39.914 38.460 0.075 0.000 1.211 345 Y HN 0.866 nan 8.280 nan 0.000 0.433 346 L N 6.686 127.629 121.223 -0.466 0.000 2.343 346 L HA 0.553 4.893 4.340 0.000 0.000 0.278 346 L C -1.239 175.300 176.870 -0.552 0.000 0.996 346 L CA -0.340 54.286 54.840 -0.356 0.000 0.831 346 L CB 1.745 43.689 42.059 -0.192 0.000 1.232 346 L HN 0.776 nan 8.230 nan 0.000 0.413 347 Q N 3.030 122.597 119.800 -0.388 0.000 2.316 347 Q HA 0.638 4.978 4.340 0.000 0.000 0.264 347 Q C -1.349 174.584 176.000 -0.111 0.000 0.987 347 Q CA -0.460 55.192 55.803 -0.251 0.000 0.852 347 Q CB 1.741 30.441 28.738 -0.064 0.000 1.287 347 Q HN 0.699 nan 8.270 nan 0.000 0.448 348 T N 3.022 117.509 114.554 -0.112 0.000 3.050 348 T HA 0.212 4.562 4.350 0.000 0.000 0.310 348 T C -1.613 173.025 174.700 -0.103 0.000 0.978 348 T CA -0.496 61.557 62.100 -0.079 0.000 1.013 348 T CB 1.372 70.190 68.868 -0.083 0.000 1.000 348 T HN 0.716 nan 8.240 nan 0.000 0.447 349 Q N 3.791 123.563 119.800 -0.046 0.000 2.314 349 Q HA 0.566 4.906 4.340 0.000 0.000 0.259 349 Q C -0.982 174.985 176.000 -0.054 0.000 0.951 349 Q CA -0.439 55.330 55.803 -0.058 0.000 0.909 349 Q CB 1.078 29.833 28.738 0.030 0.000 1.236 349 Q HN 0.673 nan 8.270 nan 0.000 0.444 350 T N 2.085 116.527 114.554 -0.186 0.000 2.856 350 T HA 0.796 5.146 4.350 0.000 0.000 0.283 350 T C -1.284 173.333 174.700 -0.138 0.000 1.008 350 T CA -0.578 61.429 62.100 -0.155 0.000 0.997 350 T CB 1.621 70.338 68.868 -0.252 0.000 0.992 350 T HN 0.648 nan 8.240 nan 0.000 0.454 351 A N 1.869 124.667 122.820 -0.038 0.000 2.398 351 A HA 0.861 5.181 4.320 0.000 0.000 0.301 351 A C -0.464 177.042 177.584 -0.130 0.000 1.041 351 A CA -0.752 51.250 52.037 -0.058 0.000 0.711 351 A CB 1.723 20.800 19.000 0.129 0.000 1.240 351 A HN 0.770 nan 8.150 nan 0.000 0.420 352 S N 2.157 117.584 115.700 -0.454 0.000 2.547 352 S HA 0.787 5.257 4.470 0.000 0.000 0.270 352 S C -3.327 170.689 174.600 -0.973 0.000 1.150 352 S CA -1.034 56.847 58.200 -0.531 0.000 0.850 352 S CB 1.797 64.829 63.200 -0.280 0.000 1.118 352 S HN 0.339 nan 8.310 nan 0.000 0.461 353 P HA 0.344 nan 4.420 nan 0.000 0.271 353 P C -0.910 176.264 177.300 -0.210 0.000 1.216 353 P CA -0.099 62.813 63.100 -0.313 0.000 0.776 353 P CB 0.178 31.866 31.700 -0.019 0.000 0.881 354 I N 1.703 122.225 120.570 -0.079 0.000 2.353 354 I HA 0.511 4.681 4.170 0.000 0.000 0.293 354 I C 0.624 176.755 176.117 0.023 0.000 0.992 354 I CA -0.605 60.667 61.300 -0.046 0.000 1.268 354 I CB 1.252 39.236 38.000 -0.027 0.000 1.387 354 I HN 0.294 nan 8.210 nan 0.000 0.478 355 A N 4.504 127.324 122.820 0.001 0.000 2.299 355 A HA 0.860 5.180 4.320 0.000 0.000 0.332 355 A C 0.233 177.866 177.584 0.082 0.000 1.131 355 A CA -0.383 51.681 52.037 0.044 0.000 0.844 355 A CB 1.106 20.092 19.000 -0.023 0.000 1.251 355 A HN 0.790 nan 8.150 nan 0.000 0.486 356 G N -0.616 108.265 108.800 0.135 0.000 2.532 356 G HA2 0.504 4.464 3.960 0.000 0.000 0.291 356 G HA3 0.504 4.464 3.960 0.000 0.000 0.291 356 G C 0.402 175.391 174.900 0.147 0.000 1.349 356 G CA 0.322 45.486 45.100 0.107 0.000 1.038 356 G HN 1.200 nan 8.290 nan 0.000 0.518 357 T N -1.955 112.602 114.554 0.005 0.000 2.813 357 T HA 0.291 4.641 4.350 0.000 0.000 0.297 357 T C 0.330 174.990 174.700 -0.066 0.000 1.036 357 T CA -0.607 61.475 62.100 -0.031 0.000 1.044 357 T CB 1.033 69.800 68.868 -0.169 0.000 0.993 357 T HN 0.421 nan 8.240 nan 0.000 0.535 358 L N 2.230 123.360 121.223 -0.155 0.000 2.515 358 L HA 0.428 4.768 4.340 0.000 0.000 0.281 358 L C 0.380 176.989 176.870 -0.435 0.000 1.131 358 L CA 0.935 55.428 54.840 -0.577 0.000 0.905 358 L CB -0.679 41.123 42.059 -0.429 0.000 1.246 358 L HN 1.059 nan 8.230 nan 0.000 0.463 359 T N 2.927 117.211 114.554 -0.450 0.000 2.838 359 T HA 0.497 4.847 4.350 0.000 0.000 0.292 359 T C -0.732 173.757 174.700 -0.352 0.000 1.113 359 T CA -0.891 61.004 62.100 -0.342 0.000 1.008 359 T CB 0.886 69.616 68.868 -0.231 0.000 1.259 359 T HN 0.666 nan 8.240 nan 0.000 0.520 360 N N 2.275 120.780 118.700 -0.325 0.000 2.513 360 N HA 0.175 4.915 4.740 0.000 0.000 0.268 360 N C 0.327 175.774 175.510 -0.106 0.000 1.180 360 N CA -0.289 52.605 53.050 -0.260 0.000 0.948 360 N CB 0.074 38.297 38.487 -0.439 0.000 1.083 360 N HN 0.579 nan 8.380 nan 0.000 0.455 361 L N 0.142 121.356 121.223 -0.016 0.000 2.728 361 L HA 0.400 4.740 4.340 0.000 0.000 0.235 361 L C 1.021 177.941 176.870 0.084 0.000 1.197 361 L CA -0.403 54.448 54.840 0.018 0.000 0.992 361 L CB -0.487 41.575 42.059 0.005 0.000 1.263 361 L HN 0.772 nan 8.230 nan 0.000 0.484 362 G N -1.113 107.797 108.800 0.182 0.000 3.135 362 G HA2 0.475 4.435 3.960 0.000 0.000 0.278 362 G HA3 0.475 4.435 3.960 0.000 0.000 0.278 362 G C 0.058 175.112 174.900 0.257 0.000 1.302 362 G CA 0.077 45.291 45.100 0.189 0.000 0.880 362 G HN -0.087 nan 8.290 nan 0.000 0.574 363 T N -0.511 114.147 114.554 0.174 0.000 2.993 363 T HA 0.223 4.573 4.350 0.000 0.000 0.260 363 T C 0.049 174.804 174.700 0.092 0.000 0.939 363 T CA 0.103 62.322 62.100 0.198 0.000 0.886 363 T CB 0.465 69.387 68.868 0.089 0.000 1.209 363 T HN 0.663 nan 8.240 nan 0.000 0.518 364 R N 1.186 121.562 120.500 -0.207 0.000 2.604 364 R HA 0.680 5.020 4.340 0.000 0.000 0.281 364 R C -3.600 172.297 176.300 -0.672 0.000 1.020 364 R CA -2.512 53.368 56.100 -0.368 0.000 0.899 364 R CB -0.787 29.418 30.300 -0.158 0.000 1.205 364 R HN -0.168 nan 8.270 nan 0.000 0.450 365 P HA 0.191 nan 4.420 nan 0.000 0.267 365 P C -2.194 174.946 177.300 -0.265 0.000 1.200 365 P CA -0.786 61.989 63.100 -0.543 0.000 0.772 365 P CB -0.139 31.411 31.700 -0.251 0.000 0.855 366 P HA 0.192 nan 4.420 nan 0.000 0.276 366 P C -0.535 176.698 177.300 -0.111 0.000 1.235 366 P CA -0.022 63.004 63.100 -0.123 0.000 0.772 366 P CB 0.254 31.912 31.700 -0.070 0.000 0.871 367 Y N 0.846 121.213 120.300 0.113 0.000 2.433 367 Y HA 0.422 4.972 4.550 0.000 0.000 0.411 367 Y C 1.015 177.023 175.900 0.179 0.000 1.383 367 Y CA 0.234 58.410 58.100 0.126 0.000 1.896 367 Y CB 0.422 38.956 38.460 0.123 0.000 1.750 367 Y HN 0.295 nan 8.280 nan 0.000 0.627 368 E N 0.115 120.529 120.200 0.357 0.000 2.428 368 E HA 0.301 4.651 4.350 0.000 0.000 0.307 368 E C -2.193 174.442 176.600 0.059 0.000 0.902 368 E CA -0.354 56.188 56.400 0.236 0.000 0.799 368 E CB 0.323 30.098 29.700 0.126 0.000 1.351 368 E HN 0.368 nan 8.360 nan 0.000 0.392 369 L N 3.075 124.289 121.223 -0.016 0.000 2.426 369 L HA 0.797 5.137 4.340 0.000 0.000 0.271 369 L C 1.115 177.794 176.870 -0.319 0.000 1.169 369 L CA 1.427 56.091 54.840 -0.295 0.000 0.836 369 L CB 1.069 42.873 42.059 -0.424 0.000 1.112 369 L HN 0.736 nan 8.230 nan 0.000 0.465 370 G N 1.386 109.867 108.800 -0.532 0.000 2.364 370 G HA2 0.298 4.258 3.960 0.000 0.000 0.286 370 G HA3 0.298 4.258 3.960 0.000 0.000 0.286 370 G C -2.146 172.337 174.900 -0.694 0.000 1.241 370 G CA -0.664 44.107 45.100 -0.549 0.000 0.887 370 G HN 0.370 nan 8.290 nan 0.000 0.484 371 W N 0.547 121.816 121.300 -0.050 0.000 2.936 371 W HA 0.614 5.274 4.660 0.000 0.000 0.338 371 W C -0.533 175.968 176.519 -0.030 0.000 1.121 371 W CA -0.680 56.634 57.345 -0.051 0.000 1.209 371 W CB 2.462 31.885 29.460 -0.061 0.000 1.420 371 W HN 0.385 nan 8.180 nan 0.000 0.516 372 K N 1.266 121.782 120.400 0.193 0.000 2.267 372 K HA 0.464 4.784 4.320 0.000 0.000 0.246 372 K C -0.228 176.456 176.600 0.140 0.000 0.954 372 K CA -1.192 55.170 56.287 0.125 0.000 0.824 372 K CB 2.789 35.332 32.500 0.071 0.000 1.167 372 K HN 0.265 nan 8.250 nan 0.000 0.431 373 R N 1.698 122.276 120.500 0.129 0.000 2.220 373 R HA 0.028 4.368 4.340 0.000 0.000 0.340 373 R C 0.622 177.067 176.300 0.242 0.000 1.076 373 R CA 0.104 56.307 56.100 0.172 0.000 0.920 373 R CB 0.304 30.708 30.300 0.173 0.000 1.062 373 R HN 0.861 nan 8.270 nan 0.000 0.469 374 T N 0.333 115.015 114.554 0.213 0.000 3.067 374 T HA 0.281 4.631 4.350 0.000 0.000 0.257 374 T C 0.823 175.620 174.700 0.161 0.000 1.105 374 T CA 0.503 62.719 62.100 0.192 0.000 1.104 374 T CB 0.464 69.398 68.868 0.110 0.000 0.925 374 T HN 0.625 nan 8.240 nan 0.000 0.498 375 G N -0.563 108.312 108.800 0.125 0.000 2.393 375 G HA2 0.459 4.420 3.960 0.000 0.000 0.264 375 G HA3 0.459 4.420 3.960 0.000 0.000 0.264 375 G C -2.322 172.550 174.900 -0.048 0.000 1.221 375 G CA -0.841 44.055 45.100 -0.340 0.000 0.912 375 G HN 0.289 nan 8.290 nan 0.000 0.483 376 Y N -0.217 119.912 120.300 -0.285 0.000 2.480 376 Y HA 0.602 5.152 4.550 0.000 0.000 0.329 376 Y C -0.716 175.121 175.900 -0.106 0.000 1.127 376 Y CA -0.436 57.600 58.100 -0.108 0.000 1.037 376 Y CB 2.284 40.725 38.460 -0.031 0.000 1.320 376 Y HN 0.659 nan 8.280 nan 0.000 0.446 377 T N 4.457 118.834 114.554 -0.295 0.000 2.855 377 T HA 0.347 4.697 4.350 0.000 0.000 0.281 377 T C -1.800 172.813 174.700 -0.145 0.000 1.007 377 T CA -0.487 61.514 62.100 -0.166 0.000 1.009 377 T CB 1.103 69.870 68.868 -0.168 0.000 0.983 377 T HN 0.499 nan 8.240 nan 0.000 0.455 378 D N 2.379 122.741 120.400 -0.064 0.000 2.479 378 D HA 0.403 5.043 4.640 0.000 0.000 0.246 378 D C -1.157 175.052 176.300 -0.152 0.000 1.336 378 D CA -0.328 53.635 54.000 -0.062 0.000 0.967 378 D CB 1.096 41.933 40.800 0.061 0.000 1.275 378 D HN 0.210 nan 8.370 nan 0.000 0.577 379 V N 4.057 123.794 119.914 -0.296 0.000 2.513 379 V HA 0.536 4.656 4.120 0.000 0.000 0.299 379 V C 0.137 176.011 176.094 -0.367 0.000 1.035 379 V CA -0.672 61.364 62.300 -0.439 0.000 0.889 379 V CB 1.731 33.017 31.823 -0.896 0.000 0.988 379 V HN 0.539 nan 8.190 nan 0.000 0.440 380 M N 4.026 123.452 119.600 -0.290 0.000 2.078 380 M HA 0.571 5.051 4.480 0.000 0.000 0.320 380 M C -0.228 175.935 176.300 -0.228 0.000 0.969 380 M CA -0.375 54.804 55.300 -0.202 0.000 0.929 380 M CB 1.436 33.972 32.600 -0.107 0.000 1.504 380 M HN 0.756 nan 8.290 nan 0.000 0.419 381 A N 5.503 128.189 122.820 -0.222 0.000 2.316 381 A HA 0.668 4.988 4.320 0.000 0.000 0.324 381 A C -0.237 177.237 177.584 -0.182 0.000 1.375 381 A CA -0.669 51.242 52.037 -0.209 0.000 0.882 381 A CB 0.543 19.423 19.000 -0.200 0.000 1.152 381 A HN 0.818 nan 8.150 nan 0.000 0.512 382 R N 2.151 122.554 120.500 -0.162 0.000 2.312 382 R HA 0.475 4.815 4.340 0.000 0.000 0.311 382 R C -1.184 174.992 176.300 -0.208 0.000 1.004 382 R CA -0.493 55.499 56.100 -0.180 0.000 0.902 382 R CB 1.220 31.529 30.300 0.015 0.000 1.073 382 R HN 0.742 nan 8.270 nan 0.000 0.457 383 N N 0.626 119.140 118.700 -0.310 0.000 2.249 383 N HA 0.564 5.304 4.740 0.000 0.000 0.296 383 N C -1.658 173.823 175.510 -0.048 0.000 1.051 383 N CA -0.674 52.283 53.050 -0.155 0.000 0.815 383 N CB 2.426 40.825 38.487 -0.147 0.000 1.487 383 N HN 0.640 nan 8.380 nan 0.000 0.475 384 A N 0.720 123.645 122.820 0.175 0.000 2.408 384 A HA 0.924 5.244 4.320 0.000 0.000 0.295 384 A C -1.310 176.464 177.584 0.317 0.000 1.040 384 A CA -0.612 51.620 52.037 0.325 0.000 0.707 384 A CB 0.989 20.257 19.000 0.446 0.000 1.235 384 A HN 0.746 nan 8.150 nan 0.000 0.418 385 A N 1.359 124.357 122.820 0.296 0.000 2.549 385 A HA 0.781 5.101 4.320 0.000 0.000 0.297 385 A C -1.540 176.252 177.584 0.346 0.000 1.061 385 A CA -0.423 51.798 52.037 0.308 0.000 0.690 385 A CB 1.084 20.210 19.000 0.210 0.000 1.287 385 A HN 1.801 nan 8.150 nan 0.000 0.402 386 F N 2.300 122.371 119.950 0.203 0.000 2.445 386 F HA 0.618 5.145 4.527 0.000 0.000 0.348 386 F C -1.294 174.620 175.800 0.190 0.000 1.125 386 F CA -0.680 57.436 58.000 0.194 0.000 0.983 386 F CB 1.225 40.333 39.000 0.181 0.000 1.198 386 F HN 0.488 nan 8.300 nan 0.000 0.436 387 D N 4.923 125.099 120.400 -0.373 0.000 2.181 387 D HA 0.283 4.923 4.640 0.000 0.000 0.248 387 D C -1.641 174.389 176.300 -0.449 0.000 1.020 387 D CA 0.135 53.946 54.000 -0.316 0.000 0.891 387 D CB 1.781 42.497 40.800 -0.141 0.000 1.187 387 D HN 0.589 nan 8.370 nan 0.000 0.443 388 Y N 0.484 120.552 120.300 -0.386 0.000 2.433 388 Y HA 0.421 4.971 4.550 0.000 0.000 0.337 388 Y C -1.016 174.806 175.900 -0.130 0.000 1.026 388 Y CA -0.693 57.266 58.100 -0.235 0.000 1.037 388 Y CB 1.381 39.758 38.460 -0.139 0.000 1.245 388 Y HN 0.381 nan 8.280 nan 0.000 0.443 389 S N 5.729 120.978 115.700 -0.753 0.000 2.607 389 S HA 0.829 5.299 4.470 0.000 0.000 0.303 389 S C -1.725 172.425 174.600 -0.750 0.000 1.086 389 S CA -0.810 57.034 58.200 -0.593 0.000 0.995 389 S CB 2.177 65.178 63.200 -0.330 0.000 1.084 389 S HN 0.942 nan 8.310 nan 0.000 0.507 390 L N 1.201 122.230 121.223 -0.323 0.000 2.617 390 L HA 0.725 5.065 4.340 0.000 0.000 0.259 390 L C -0.735 176.083 176.870 -0.087 0.000 0.995 390 L CA -0.044 54.700 54.840 -0.159 0.000 0.899 390 L CB 1.174 43.264 42.059 0.052 0.000 1.181 390 L HN 1.045 nan 8.230 nan 0.000 0.437 391 A N 5.279 128.031 122.820 -0.113 0.000 3.258 391 A HA 0.751 5.071 4.320 0.000 0.000 0.318 391 A C -2.631 174.887 177.584 -0.110 0.000 0.990 391 A CA -1.179 50.790 52.037 -0.113 0.000 0.885 391 A CB -0.337 18.599 19.000 -0.107 0.000 1.090 391 A HN 0.497 nan 8.150 nan 0.000 0.479 392 P HA 0.052 nan 4.420 nan 0.000 0.265 392 P C 0.136 177.377 177.300 -0.099 0.000 1.187 392 P CA 0.340 63.381 63.100 -0.099 0.000 0.766 392 P CB 0.488 32.120 31.700 -0.113 0.000 0.820 393 E N 1.913 122.075 120.200 -0.065 0.000 2.383 393 E HA 0.042 4.392 4.350 0.000 0.000 0.264 393 E C -0.344 176.229 176.600 -0.046 0.000 1.050 393 E CA -0.404 55.965 56.400 -0.051 0.000 0.896 393 E CB 0.007 29.688 29.700 -0.032 0.000 0.982 393 E HN 0.318 nan 8.360 nan 0.000 0.424 394 D N 0.240 120.620 120.400 -0.033 0.000 2.748 394 D HA -0.143 4.497 4.640 0.000 0.000 0.189 394 D C -0.646 175.644 176.300 -0.016 0.000 0.982 394 D CA 1.217 55.213 54.000 -0.007 0.000 1.017 394 D CB -1.215 39.589 40.800 0.007 0.000 1.076 394 D HN 0.310 nan 8.370 nan 0.000 0.446 395 V N 1.753 121.609 119.914 -0.098 0.000 2.259 395 V HA 0.221 4.341 4.120 0.000 0.000 0.267 395 V C 0.854 176.793 176.094 -0.258 0.000 1.051 395 V CA -0.460 61.698 62.300 -0.238 0.000 0.830 395 V CB 1.480 33.025 31.823 -0.463 0.000 1.080 395 V HN -0.099 nan 8.190 nan 0.000 0.467 396 D N 3.090 123.457 120.400 -0.056 0.000 2.269 396 D HA -0.094 4.546 4.640 0.000 0.000 0.208 396 D C 1.824 178.196 176.300 0.119 0.000 0.963 396 D CA 0.931 54.963 54.000 0.054 0.000 0.864 396 D CB 0.178 41.076 40.800 0.163 0.000 0.936 396 D HN 0.857 nan 8.370 nan 0.000 0.505 397 W N 0.450 121.828 121.300 0.130 0.000 3.180 397 W HA 0.254 4.914 4.660 0.000 0.000 0.254 397 W C -0.264 176.337 176.519 0.136 0.000 1.318 397 W CA -0.406 57.031 57.345 0.154 0.000 1.608 397 W CB -0.259 29.269 29.460 0.113 0.000 1.124 397 W HN -0.148 nan 8.180 nan 0.000 0.694 398 L N 3.092 124.074 121.223 -0.401 0.000 2.345 398 L HA 0.395 4.735 4.340 0.000 0.000 0.274 398 L C -1.431 175.329 176.870 -0.182 0.000 0.999 398 L CA -0.112 54.485 54.840 -0.406 0.000 0.849 398 L CB 1.343 42.848 42.059 -0.924 0.000 1.220 398 L HN -0.113 nan 8.230 nan 0.000 0.422 399 D N 4.284 124.658 120.400 -0.043 0.000 2.968 399 D HA 0.120 4.761 4.640 0.000 0.000 0.301 399 D C -1.067 175.245 176.300 0.021 0.000 1.226 399 D CA -0.235 53.745 54.000 -0.035 0.000 0.746 399 D CB 0.097 40.867 40.800 -0.049 0.000 1.278 399 D HN 0.229 nan 8.370 nan 0.000 0.544 400 F N 2.208 122.110 119.950 -0.081 0.000 2.410 400 F HA 0.462 4.989 4.527 0.000 0.000 0.334 400 F C -0.093 175.678 175.800 -0.048 0.000 1.134 400 F CA 0.261 58.242 58.000 -0.031 0.000 1.227 400 F CB 0.714 39.742 39.000 0.045 0.000 1.194 400 F HN 0.218 nan 8.300 nan 0.000 0.571 401 Q N 4.078 123.360 119.800 -0.864 0.000 2.403 401 Q HA 0.727 5.067 4.340 0.000 0.000 0.267 401 Q C -2.281 173.253 176.000 -0.776 0.000 0.991 401 Q CA -1.199 54.208 55.803 -0.659 0.000 0.906 401 Q CB 1.421 29.961 28.738 -0.330 0.000 1.422 401 Q HN 0.909 nan 8.270 nan 0.000 0.400 402 A N 1.883 124.430 122.820 -0.455 0.000 2.515 402 A HA 0.912 5.232 4.320 0.000 0.000 0.296 402 A C -1.604 175.969 177.584 -0.017 0.000 1.094 402 A CA -0.728 51.190 52.037 -0.198 0.000 0.718 402 A CB 2.377 21.365 19.000 -0.020 0.000 1.307 402 A HN 0.715 nan 8.150 nan 0.000 0.408 403 K N 0.696 121.155 120.400 0.098 0.000 2.498 403 K HA 0.701 5.021 4.320 0.000 0.000 0.254 403 K C -2.288 174.501 176.600 0.314 0.000 0.933 403 K CA -0.586 55.804 56.287 0.171 0.000 0.806 403 K CB 1.498 34.081 32.500 0.138 0.000 1.301 403 K HN 0.463 nan 8.250 nan 0.000 0.432 404 L N 4.937 126.391 121.223 0.384 0.000 2.372 404 L HA 0.488 4.828 4.340 0.000 0.000 0.274 404 L C -1.252 175.868 176.870 0.417 0.000 0.988 404 L CA -0.451 54.616 54.840 0.378 0.000 0.833 404 L CB 1.229 43.503 42.059 0.358 0.000 1.236 404 L HN 0.627 nan 8.230 nan 0.000 0.410 405 Y N 1.733 122.177 120.300 0.239 0.000 2.570 405 Y HA 0.774 5.324 4.550 0.000 0.000 0.345 405 Y C -1.444 174.605 175.900 0.249 0.000 1.014 405 Y CA -1.600 56.627 58.100 0.212 0.000 1.063 405 Y CB 1.599 40.137 38.460 0.129 0.000 1.272 405 Y HN 0.497 nan 8.280 nan 0.000 0.477 406 Y N 2.095 122.499 120.300 0.174 0.000 2.331 406 Y HA 0.670 5.220 4.550 0.000 0.000 0.326 406 Y C -2.031 173.893 175.900 0.039 0.000 1.020 406 Y CA -1.062 57.039 58.100 0.002 0.000 1.136 406 Y CB 1.674 40.126 38.460 -0.013 0.000 1.157 406 Y HN 0.691 nan 8.280 nan 0.000 0.444 407 V N 5.625 125.220 119.914 -0.533 0.000 2.417 407 V HA 0.306 4.426 4.120 0.000 0.000 0.291 407 V C -1.011 174.627 176.094 -0.759 0.000 1.024 407 V CA -0.569 61.446 62.300 -0.475 0.000 0.861 407 V CB 1.552 33.276 31.823 -0.166 0.000 0.985 407 V HN 0.749 nan 8.190 nan 0.000 0.436 408 D N 3.168 123.210 120.400 -0.596 0.000 2.408 408 D HA 0.247 4.887 4.640 0.000 0.000 0.261 408 D C -0.257 175.926 176.300 -0.194 0.000 1.190 408 D CA -0.126 53.645 54.000 -0.382 0.000 0.910 408 D CB 1.461 42.129 40.800 -0.220 0.000 1.097 408 D HN 0.574 nan 8.370 nan 0.000 0.522 409 T N 2.370 116.827 114.554 -0.162 0.000 2.756 409 T HA 0.381 4.731 4.350 0.000 0.000 0.290 409 T C -0.710 173.855 174.700 -0.224 0.000 0.985 409 T CA -0.617 61.346 62.100 -0.228 0.000 0.955 409 T CB 0.862 69.552 68.868 -0.297 0.000 0.930 409 T HN 0.361 nan 8.240 nan 0.000 0.451 410 Q N 4.147 123.811 119.800 -0.226 0.000 2.325 410 Q HA 0.356 4.696 4.340 0.000 0.000 0.270 410 Q C -1.576 174.320 176.000 -0.173 0.000 1.020 410 Q CA -0.786 54.947 55.803 -0.116 0.000 0.785 410 Q CB 1.418 30.135 28.738 -0.035 0.000 1.259 410 Q HN 0.667 nan 8.270 nan 0.000 0.452 411 D N 3.397 123.755 120.400 -0.071 0.000 2.392 411 D HA 0.208 4.848 4.640 0.000 0.000 0.228 411 D C -1.265 175.049 176.300 0.024 0.000 1.074 411 D CA -0.322 53.650 54.000 -0.047 0.000 0.838 411 D CB 1.129 41.988 40.800 0.099 0.000 1.067 411 D HN 0.392 nan 8.370 nan 0.000 0.511 412 D N 2.382 122.775 120.400 -0.011 0.000 2.485 412 D HA 0.242 4.882 4.640 0.000 0.000 0.221 412 D C -0.585 175.720 176.300 0.009 0.000 1.112 412 D CA -0.195 53.812 54.000 0.012 0.000 0.911 412 D CB 0.892 41.699 40.800 0.011 0.000 1.019 412 D HN 0.034 nan 8.370 nan 0.000 0.516 413 S N 1.536 117.241 115.700 0.007 0.000 2.451 413 S HA 0.383 4.853 4.470 0.000 0.000 0.301 413 S C -0.396 174.154 174.600 -0.083 0.000 1.116 413 S CA -0.913 57.272 58.200 -0.024 0.000 1.093 413 S CB 1.474 64.663 63.200 -0.018 0.000 1.017 413 S HN 0.209 nan 8.310 nan 0.000 0.482 414 D N 1.784 122.097 120.400 -0.144 0.000 2.193 414 D HA 0.485 5.125 4.640 0.000 0.000 0.249 414 D C -0.555 175.456 176.300 -0.482 0.000 1.034 414 D CA -0.085 53.739 54.000 -0.293 0.000 0.902 414 D CB 1.292 41.915 40.800 -0.294 0.000 1.182 414 D HN 0.283 nan 8.370 nan 0.000 0.436 415 T N 1.624 115.804 114.554 -0.623 0.000 2.833 415 T HA 0.274 4.625 4.350 0.000 0.000 0.297 415 T C -0.280 174.153 174.700 -0.446 0.000 1.015 415 T CA -0.510 61.209 62.100 -0.635 0.000 0.963 415 T CB -0.034 68.278 68.868 -0.927 0.000 0.955 415 T HN 0.132 nan 8.240 nan 0.000 0.449 416 Y N 1.876 122.111 120.300 -0.109 0.000 2.457 416 Y HA 0.236 4.786 4.550 0.000 0.000 0.341 416 Y C 1.631 177.529 175.900 -0.004 0.000 1.240 416 Y CA -0.774 57.303 58.100 -0.039 0.000 1.437 416 Y CB 0.500 38.958 38.460 -0.003 0.000 1.328 416 Y HN 0.621 nan 8.280 nan 0.000 0.588 417 S N -0.486 115.334 115.700 0.200 0.000 2.562 417 S HA -0.019 4.451 4.470 0.000 0.000 0.281 417 S C 1.105 175.779 174.600 0.123 0.000 1.333 417 S CA -0.203 58.084 58.200 0.146 0.000 1.052 417 S CB 1.108 64.379 63.200 0.118 0.000 0.884 417 S HN 0.855 nan 8.310 nan 0.000 0.506 418 T N 0.073 114.692 114.554 0.110 0.000 2.821 418 T HA 0.044 4.394 4.350 0.000 0.000 0.267 418 T C 0.921 175.658 174.700 0.062 0.000 1.046 418 T CA 0.763 62.912 62.100 0.082 0.000 1.139 418 T CB -0.753 68.159 68.868 0.074 0.000 0.871 418 T HN 0.970 nan 8.240 nan 0.000 0.454 419 S N 0.580 116.317 115.700 0.061 0.000 2.600 419 S HA 0.589 5.059 4.470 0.000 0.000 0.300 419 S C 1.076 175.703 174.600 0.044 0.000 1.087 419 S CA -0.244 57.984 58.200 0.047 0.000 0.965 419 S CB 2.108 65.334 63.200 0.044 0.000 1.089 419 S HN 0.337 nan 8.310 nan 0.000 0.496 420 S N 1.161 116.880 115.700 0.032 0.000 2.446 420 S HA -0.033 4.437 4.470 0.000 0.000 0.225 420 S C 1.659 176.276 174.600 0.028 0.000 1.016 420 S CA 0.270 58.486 58.200 0.026 0.000 0.943 420 S CB -0.766 62.444 63.200 0.016 0.000 0.786 420 S HN 0.805 nan 8.310 nan 0.000 0.508 421 L N -0.242 120.998 121.223 0.029 0.000 2.627 421 L HA 0.431 4.771 4.340 0.000 0.000 0.233 421 L C 0.440 177.330 176.870 0.033 0.000 1.144 421 L CA 0.264 55.121 54.840 0.028 0.000 0.892 421 L CB -1.605 40.469 42.059 0.025 0.000 1.039 421 L HN 0.271 nan 8.230 nan 0.000 0.442 422 L N 0.360 121.607 121.223 0.040 0.000 2.293 422 L HA 0.578 4.918 4.340 0.000 0.000 0.264 422 L C -0.630 176.272 176.870 0.054 0.000 1.029 422 L CA -0.038 54.830 54.840 0.047 0.000 0.897 422 L CB 1.890 43.981 42.059 0.054 0.000 1.497 422 L HN -0.030 nan 8.230 nan 0.000 0.495 423 D N -0.334 120.103 120.400 0.062 0.000 3.118 423 D HA 0.109 4.749 4.640 0.000 0.000 0.286 423 D C -0.191 176.162 176.300 0.089 0.000 1.255 423 D CA -0.153 53.890 54.000 0.071 0.000 0.748 423 D CB 0.070 40.904 40.800 0.058 0.000 1.332 423 D HN 0.516 nan 8.370 nan 0.000 0.575 424 N N -0.212 118.556 118.700 0.113 0.000 2.234 424 N HA 0.213 4.953 4.740 0.000 0.000 0.227 424 N C 0.771 176.426 175.510 0.242 0.000 1.151 424 N CA -0.420 52.718 53.050 0.145 0.000 0.865 424 N CB 0.381 38.946 38.487 0.130 0.000 1.066 424 N HN 0.185 nan 8.380 nan 0.000 0.515 425 G N 0.421 109.340 108.800 0.199 0.000 2.491 425 G HA2 0.370 4.330 3.960 0.000 0.000 0.238 425 G HA3 0.370 4.330 3.960 0.000 0.000 0.238 425 G C -0.782 174.279 174.900 0.268 0.000 1.277 425 G CA -0.162 45.051 45.100 0.187 0.000 0.851 425 G HN 0.466 nan 8.290 nan 0.000 0.573 426 Y N -1.919 118.399 120.300 0.030 0.000 2.705 426 Y HA 0.755 5.305 4.550 0.000 0.000 0.332 426 Y C -0.365 175.535 175.900 -0.000 0.000 1.221 426 Y CA -1.512 56.600 58.100 0.020 0.000 1.059 426 Y CB 1.261 39.735 38.460 0.023 0.000 1.298 426 Y HN 0.840 nan 8.280 nan 0.000 0.459 427 A N 1.243 124.126 122.820 0.104 0.000 2.375 427 A HA 0.638 4.958 4.320 0.000 0.000 0.295 427 A C -1.111 176.543 177.584 0.117 0.000 1.066 427 A CA -0.502 51.541 52.037 0.011 0.000 0.722 427 A CB 1.398 20.401 19.000 0.005 0.000 1.206 427 A HN 0.874 nan 8.150 nan 0.000 0.435 428 T N 1.527 116.141 114.554 0.101 0.000 2.829 428 T HA 0.590 4.940 4.350 0.000 0.000 0.280 428 T C -0.261 174.492 174.700 0.088 0.000 0.999 428 T CA -0.601 61.580 62.100 0.134 0.000 0.983 428 T CB 0.677 69.671 68.868 0.209 0.000 0.968 428 T HN 0.813 nan 8.240 nan 0.000 0.446 429 R N 2.444 122.996 120.500 0.086 0.000 2.474 429 R HA 0.645 4.985 4.340 0.000 0.000 0.295 429 R C -1.089 175.273 176.300 0.104 0.000 0.980 429 R CA -0.466 55.683 56.100 0.083 0.000 0.934 429 R CB 1.429 31.771 30.300 0.070 0.000 1.101 429 R HN 0.652 nan 8.270 nan 0.000 0.469 430 T N 3.825 118.461 114.554 0.136 0.000 3.186 430 T HA 0.280 4.630 4.350 0.000 0.000 0.320 430 T C -1.380 173.487 174.700 0.278 0.000 0.955 430 T CA -0.818 61.388 62.100 0.176 0.000 1.030 430 T CB 0.499 69.460 68.868 0.155 0.000 1.013 430 T HN 0.750 nan 8.240 nan 0.000 0.454 431 R N 4.539 125.165 120.500 0.210 0.000 2.494 431 R HA 0.726 5.066 4.340 0.000 0.000 0.305 431 R C -1.671 174.757 176.300 0.214 0.000 0.959 431 R CA -0.910 55.317 56.100 0.212 0.000 0.864 431 R CB 1.345 31.721 30.300 0.126 0.000 1.159 431 R HN 0.487 nan 8.270 nan 0.000 0.446 432 L N 4.765 126.149 121.223 0.269 0.000 2.316 432 L HA 0.486 4.826 4.340 0.000 0.000 0.280 432 L C -0.841 176.081 176.870 0.085 0.000 1.006 432 L CA -0.378 54.575 54.840 0.188 0.000 0.836 432 L CB 1.252 43.449 42.059 0.228 0.000 1.221 432 L HN 0.648 nan 8.230 nan 0.000 0.418 433 R N 2.817 123.354 120.500 0.062 0.000 2.349 433 R HA 0.680 5.020 4.340 0.000 0.000 0.299 433 R C -0.593 175.663 176.300 -0.073 0.000 1.027 433 R CA -0.463 55.582 56.100 -0.093 0.000 0.958 433 R CB 1.287 31.588 30.300 0.001 0.000 1.047 433 R HN 0.556 nan 8.270 nan 0.000 0.468 434 T N 2.959 117.355 114.554 -0.263 0.000 2.792 434 T HA 0.326 4.676 4.350 0.000 0.000 0.280 434 T C -1.131 173.428 174.700 -0.236 0.000 0.990 434 T CA -0.544 61.506 62.100 -0.083 0.000 0.960 434 T CB 0.594 69.470 68.868 0.014 0.000 0.939 434 T HN 0.337 nan 8.240 nan 0.000 0.439 435 Y N 1.588 121.981 120.300 0.155 0.000 2.478 435 Y HA 0.569 5.119 4.550 0.000 0.000 0.329 435 Y C 0.869 176.744 175.900 -0.041 0.000 0.967 435 Y CA -0.829 57.345 58.100 0.123 0.000 1.255 435 Y CB 1.162 39.743 38.460 0.202 0.000 1.103 435 Y HN 0.821 nan 8.280 nan 0.000 0.497 436 G N 1.280 109.819 108.800 -0.435 0.000 2.441 436 G HA2 0.807 4.767 3.960 0.000 0.000 0.334 436 G HA3 0.807 4.767 3.960 0.000 0.000 0.334 436 G C -1.293 173.442 174.900 -0.274 0.000 1.161 436 G CA -0.858 43.791 45.100 -0.752 0.000 0.935 436 G HN 0.727 nan 8.290 nan 0.000 0.488 437 A N 1.028 123.942 122.820 0.156 0.000 2.540 437 A HA 0.746 5.066 4.320 0.000 0.000 0.297 437 A C -0.766 177.033 177.584 0.359 0.000 1.056 437 A CA -0.680 51.533 52.037 0.294 0.000 0.700 437 A CB 1.551 20.715 19.000 0.273 0.000 1.280 437 A HN 1.064 nan 8.150 nan 0.000 0.398 438 Q N 0.639 120.629 119.800 0.317 0.000 2.418 438 Q HA 0.838 5.178 4.340 0.000 0.000 0.282 438 Q C -0.960 175.147 176.000 0.178 0.000 1.044 438 Q CA -0.882 55.084 55.803 0.272 0.000 0.813 438 Q CB 2.468 31.367 28.738 0.268 0.000 1.428 438 Q HN 1.971 nan 8.270 nan 0.000 0.402 439 A N 2.007 124.923 122.820 0.160 0.000 2.509 439 A HA 0.466 4.786 4.320 0.000 0.000 0.282 439 A C -1.262 176.359 177.584 0.062 0.000 1.054 439 A CA -0.610 51.455 52.037 0.046 0.000 0.820 439 A CB 1.351 20.483 19.000 0.219 0.000 1.333 439 A HN 0.762 nan 8.150 nan 0.000 0.409 440 Q N 1.129 120.883 119.800 -0.076 0.000 2.458 440 Q HA 0.816 5.156 4.340 0.000 0.000 0.282 440 Q C -0.948 174.999 176.000 -0.088 0.000 1.106 440 Q CA -1.156 54.641 55.803 -0.011 0.000 0.814 440 Q CB 2.040 30.876 28.738 0.164 0.000 1.425 440 Q HN 0.450 nan 8.270 nan 0.000 0.437 441 N N 0.336 118.916 118.700 -0.200 0.000 2.454 441 N HA 0.233 4.973 4.740 0.000 0.000 0.291 441 N C -1.946 173.309 175.510 -0.425 0.000 1.079 441 N CA -0.243 52.675 53.050 -0.220 0.000 0.893 441 N CB 2.592 41.032 38.487 -0.079 0.000 1.512 441 N HN 0.701 nan 8.380 nan 0.000 0.497 442 T N 1.752 116.213 114.554 -0.155 0.000 2.767 442 T HA 0.600 4.950 4.350 0.000 0.000 0.288 442 T C -0.785 173.958 174.700 0.072 0.000 0.963 442 T CA -0.205 61.860 62.100 -0.058 0.000 1.019 442 T CB 0.117 68.978 68.868 -0.012 0.000 0.923 442 T HN 0.334 nan 8.240 nan 0.000 0.468 443 S N 4.730 120.564 115.700 0.223 0.000 2.498 443 S HA 0.539 5.009 4.470 0.000 0.000 0.317 443 S C -0.216 174.628 174.600 0.408 0.000 1.090 443 S CA -0.831 57.596 58.200 0.379 0.000 1.089 443 S CB 1.057 64.599 63.200 0.570 0.000 0.997 443 S HN 0.709 nan 8.310 nan 0.000 0.470 444 R N 1.959 122.661 120.500 0.337 0.000 2.604 444 R HA 0.795 5.135 4.340 0.000 0.000 0.287 444 R C -0.943 175.605 176.300 0.413 0.000 0.970 444 R CA -0.561 55.691 56.100 0.253 0.000 0.946 444 R CB 1.121 31.492 30.300 0.117 0.000 1.127 444 R HN 0.699 nan 8.270 nan 0.000 0.473 445 F N -2.287 117.797 119.950 0.222 0.000 2.770 445 F HA 0.557 5.084 4.527 0.000 0.000 0.313 445 F C -1.559 174.412 175.800 0.285 0.000 1.154 445 F CA -0.986 57.146 58.000 0.220 0.000 0.923 445 F CB 1.311 40.424 39.000 0.188 0.000 1.301 445 F HN 0.273 nan 8.300 nan 0.000 0.449 446 S N 1.255 117.233 115.700 0.464 0.000 2.548 446 S HA 0.641 5.111 4.470 0.000 0.000 0.286 446 S C -0.468 174.395 174.600 0.437 0.000 1.098 446 S CA -0.581 57.863 58.200 0.407 0.000 0.930 446 S CB 1.963 65.311 63.200 0.248 0.000 1.070 446 S HN 0.662 nan 8.310 nan 0.000 0.480 447 L N 1.516 123.019 121.223 0.468 0.000 2.640 447 L HA 0.660 5.000 4.340 0.000 0.000 0.230 447 L C 0.672 177.668 176.870 0.209 0.000 1.123 447 L CA 0.529 55.553 54.840 0.307 0.000 0.900 447 L CB -0.387 41.845 42.059 0.290 0.000 1.146 447 L HN 0.851 nan 8.230 nan 0.000 0.484 448 A N -2.014 120.962 122.820 0.259 0.000 2.522 448 A HA 0.575 4.895 4.320 0.000 0.000 0.291 448 A C -2.236 175.494 177.584 0.243 0.000 1.039 448 A CA -0.542 51.625 52.037 0.217 0.000 0.643 448 A CB -0.126 18.985 19.000 0.185 0.000 1.310 448 A HN -0.126 nan 8.150 nan 0.000 0.436 449 P HA 0.031 nan 4.420 nan 0.000 0.223 449 P C 1.071 178.422 177.300 0.084 0.000 1.144 449 P CA 1.951 65.123 63.100 0.120 0.000 0.783 449 P CB 0.267 32.023 31.700 0.093 0.000 0.771 450 G N -2.366 106.517 108.800 0.138 0.000 3.651 450 G HA2 0.051 4.011 3.960 0.000 0.000 0.279 450 G HA3 0.051 4.011 3.960 0.000 0.000 0.279 450 G C -0.135 174.643 174.900 -0.203 0.000 1.024 450 G CA 0.008 45.059 45.100 -0.082 0.000 0.813 450 G HN 0.295 nan 8.290 nan 0.000 0.518 451 H N 1.389 120.484 119.070 0.041 0.000 2.953 451 H HA 0.247 4.803 4.556 0.000 0.000 0.290 451 H C -1.117 174.183 175.328 -0.047 0.000 1.113 451 H CA -0.629 55.455 56.048 0.061 0.000 1.454 451 H CB 1.562 31.529 29.762 0.342 0.000 1.525 451 H HN 0.131 nan 8.280 nan 0.000 0.505 452 D N 2.458 122.688 120.400 -0.282 0.000 2.163 452 D HA 0.344 4.984 4.640 0.000 0.000 0.248 452 D C -0.208 175.763 176.300 -0.548 0.000 1.035 452 D CA -0.093 53.752 54.000 -0.257 0.000 0.872 452 D CB 1.518 42.181 40.800 -0.227 0.000 1.183 452 D HN 0.215 nan 8.370 nan 0.000 0.445 453 F N 0.352 120.094 119.950 -0.347 0.000 2.577 453 F HA 0.503 5.030 4.527 0.000 0.000 0.318 453 F C 0.450 175.983 175.800 -0.446 0.000 1.065 453 F CA -0.953 56.742 58.000 -0.508 0.000 0.929 453 F CB 2.116 40.437 39.000 -1.132 0.000 1.237 453 F HN -0.056 nan 8.300 nan 0.000 0.468 454 R N 1.801 122.286 120.500 -0.024 0.000 2.575 454 R HA 0.708 5.048 4.340 0.000 0.000 0.292 454 R C -1.632 174.777 176.300 0.181 0.000 1.246 454 R CA -0.481 55.654 56.100 0.058 0.000 0.973 454 R CB 1.163 31.477 30.300 0.022 0.000 1.187 454 R HN 0.786 nan 8.270 nan 0.000 0.478 455 A N 3.411 126.414 122.820 0.304 0.000 2.274 455 A HA 0.376 4.696 4.320 0.000 0.000 0.309 455 A C -0.694 177.107 177.584 0.361 0.000 1.226 455 A CA -0.585 51.689 52.037 0.395 0.000 0.853 455 A CB 0.820 20.142 19.000 0.537 0.000 1.146 455 A HN 0.664 nan 8.150 nan 0.000 0.518 456 N N 1.902 120.795 118.700 0.322 0.000 2.442 456 N HA 0.572 5.312 4.740 0.000 0.000 0.274 456 N C -1.466 174.231 175.510 0.312 0.000 1.002 456 N CA -0.397 52.786 53.050 0.223 0.000 0.910 456 N CB 0.664 39.283 38.487 0.221 0.000 1.244 456 N HN 0.524 nan 8.380 nan 0.000 0.492 457 Y N 0.760 121.116 120.300 0.093 0.000 2.512 457 Y HA 0.954 5.504 4.550 0.000 0.000 0.348 457 Y C 0.358 175.982 175.900 -0.459 0.000 0.990 457 Y CA -1.225 56.742 58.100 -0.221 0.000 1.033 457 Y CB 1.423 39.827 38.460 -0.093 0.000 1.259 457 Y HN 0.533 nan 8.280 nan 0.000 0.461 458 G N 0.946 109.142 108.800 -1.006 0.000 2.428 458 G HA2 0.559 4.519 3.960 0.000 0.000 0.304 458 G HA3 0.559 4.519 3.960 0.000 0.000 0.304 458 G C -2.361 172.236 174.900 -0.506 0.000 1.303 458 G CA -0.591 44.121 45.100 -0.648 0.000 0.825 458 G HN 1.130 nan 8.290 nan 0.000 0.484 459 L N -2.623 118.610 121.223 0.016 0.000 2.469 459 L HA 0.986 5.326 4.340 0.000 0.000 0.256 459 L C -0.761 176.321 176.870 0.354 0.000 1.006 459 L CA -1.005 53.964 54.840 0.215 0.000 0.832 459 L CB 2.332 44.494 42.059 0.173 0.000 1.421 459 L HN 0.800 nan 8.230 nan 0.000 0.410 460 E N 0.811 121.249 120.200 0.397 0.000 2.314 460 E HA 0.688 5.038 4.350 0.000 0.000 0.272 460 E C -2.212 174.665 176.600 0.460 0.000 0.884 460 E CA -0.650 55.995 56.400 0.408 0.000 0.753 460 E CB 2.435 32.364 29.700 0.381 0.000 1.213 460 E HN 0.661 nan 8.360 nan 0.000 0.432 461 F N 4.576 124.701 119.950 0.292 0.000 2.581 461 F HA 0.517 5.044 4.527 0.000 0.000 0.311 461 F C -1.930 174.068 175.800 0.330 0.000 1.113 461 F CA -0.477 57.665 58.000 0.236 0.000 0.935 461 F CB 1.243 40.342 39.000 0.165 0.000 1.232 461 F HN 0.484 nan 8.300 nan 0.000 0.445 462 Y N 3.770 123.769 120.300 -0.501 0.000 2.553 462 Y HA 0.654 5.204 4.550 0.000 0.000 0.347 462 Y C -2.279 173.308 175.900 -0.520 0.000 1.019 462 Y CA -2.150 55.747 58.100 -0.338 0.000 1.032 462 Y CB 0.966 39.381 38.460 -0.076 0.000 1.284 462 Y HN 0.623 nan 8.280 nan 0.000 0.466 463 Y N 2.480 122.676 120.300 -0.173 0.000 2.326 463 Y HA 0.497 5.047 4.550 0.000 0.000 0.331 463 Y C -1.309 174.679 175.900 0.146 0.000 0.962 463 Y CA -0.955 57.098 58.100 -0.078 0.000 1.167 463 Y CB 1.106 39.639 38.460 0.121 0.000 1.148 463 Y HN 0.754 nan 8.280 nan 0.000 0.463 464 D N 4.848 125.172 120.400 -0.128 0.000 2.225 464 D HA 0.235 4.875 4.640 0.000 0.000 0.248 464 D C -0.874 175.403 176.300 -0.039 0.000 1.096 464 D CA -0.224 53.778 54.000 0.004 0.000 0.863 464 D CB 1.657 42.444 40.800 -0.021 0.000 1.156 464 D HN 0.365 nan 8.370 nan 0.000 0.450 465 K N 1.251 121.755 120.400 0.173 0.000 2.626 465 K HA 0.553 4.873 4.320 0.000 0.000 0.223 465 K C -1.270 175.424 176.600 0.158 0.000 0.992 465 K CA -0.631 55.795 56.287 0.232 0.000 1.024 465 K CB 0.899 33.690 32.500 0.485 0.000 1.225 465 K HN 0.328 nan 8.250 nan 0.000 0.498 466 A N 2.810 125.682 122.820 0.088 0.000 2.366 466 A HA 0.579 4.899 4.320 0.000 0.000 0.272 466 A C -0.222 177.412 177.584 0.083 0.000 1.135 466 A CA -0.027 52.051 52.037 0.069 0.000 0.804 466 A CB 0.132 19.145 19.000 0.021 0.000 1.064 466 A HN 0.773 nan 8.150 nan 0.000 0.499 467 T N -0.865 113.744 114.554 0.092 0.000 2.900 467 T HA 0.773 5.123 4.350 0.000 0.000 0.303 467 T C -0.537 174.214 174.700 0.084 0.000 1.142 467 T CA -0.546 61.609 62.100 0.091 0.000 1.007 467 T CB 1.702 70.634 68.868 0.107 0.000 1.156 467 T HN 1.229 nan 8.240 nan 0.000 0.490 468 S N 1.025 116.769 115.700 0.073 0.000 2.542 468 S HA 0.617 5.087 4.470 0.000 0.000 0.276 468 S C -2.481 172.157 174.600 0.063 0.000 1.148 468 S CA -0.719 57.523 58.200 0.071 0.000 0.886 468 S CB 1.293 64.530 63.200 0.061 0.000 1.109 468 S HN 1.175 nan 8.310 nan 0.000 0.458 469 D N 1.033 121.472 120.400 0.066 0.000 2.602 469 D HA 0.758 5.398 4.640 0.000 0.000 0.236 469 D C -0.802 175.539 176.300 0.068 0.000 1.209 469 D CA -0.507 53.528 54.000 0.059 0.000 0.831 469 D CB 1.485 42.319 40.800 0.055 0.000 1.478 469 D HN 0.421 nan 8.370 nan 0.000 0.438 470 S N -1.132 114.606 115.700 0.063 0.000 2.625 470 S HA 0.514 4.984 4.470 0.000 0.000 0.271 470 S C 0.001 174.644 174.600 0.070 0.000 1.161 470 S CA -0.123 58.128 58.200 0.085 0.000 0.820 470 S CB 1.216 64.473 63.200 0.095 0.000 1.137 470 S HN 0.609 nan 8.310 nan 0.000 0.470 471 S N 0.994 116.753 115.700 0.099 0.000 2.575 471 S HA 0.315 4.785 4.470 0.000 0.000 0.215 471 S C 0.563 175.195 174.600 0.053 0.000 0.966 471 S CA -0.248 58.001 58.200 0.082 0.000 0.911 471 S CB -0.124 63.140 63.200 0.107 0.000 0.780 471 S HN 0.591 nan 8.310 nan 0.000 0.514 472 R N 0.348 120.849 120.500 0.001 0.000 2.758 472 R HA 0.369 4.710 4.340 0.000 0.000 0.265 472 R C 0.970 177.213 176.300 -0.094 0.000 1.016 472 R CA -0.684 55.344 56.100 -0.121 0.000 1.040 472 R CB 0.656 30.698 30.300 -0.429 0.000 1.152 472 R HN 0.043 nan 8.270 nan 0.000 0.503 473 Q N 0.690 120.429 119.800 -0.101 0.000 1.891 473 Q HA -0.053 4.287 4.340 0.000 0.000 0.214 473 Q C 0.534 176.493 176.000 -0.067 0.000 0.995 473 Q CA 1.792 57.556 55.803 -0.066 0.000 0.866 473 Q CB -0.606 28.097 28.738 -0.058 0.000 0.931 473 Q HN 0.782 nan 8.270 nan 0.000 0.422 474 G N 0.279 109.024 108.800 -0.092 0.000 3.058 474 G HA2 0.375 4.335 3.960 0.000 0.000 0.316 474 G HA3 0.375 4.335 3.960 0.000 0.000 0.316 474 G C 0.337 175.181 174.900 -0.093 0.000 0.951 474 G CA -0.140 44.911 45.100 -0.081 0.000 1.535 474 G HN 0.073 nan 8.290 nan 0.000 0.500 475 M N -0.074 119.489 119.600 -0.062 0.000 1.957 475 M HA 0.144 4.624 4.480 0.000 0.000 0.281 475 M C 1.810 178.114 176.300 0.007 0.000 1.076 475 M CA 0.265 55.543 55.300 -0.036 0.000 1.083 475 M CB -0.157 32.417 32.600 -0.044 0.000 1.933 475 M HN 0.485 nan 8.290 nan 0.000 0.667 476 E N 0.479 120.684 120.200 0.009 0.000 2.333 476 E HA -0.096 4.254 4.350 0.000 0.000 0.200 476 E C 1.426 178.041 176.600 0.025 0.000 1.010 476 E CA 1.231 57.646 56.400 0.026 0.000 0.841 476 E CB -0.027 29.687 29.700 0.025 0.000 0.757 476 E HN 0.562 nan 8.360 nan 0.000 0.508 477 G N -0.140 108.668 108.800 0.013 0.000 3.274 477 G HA2 0.109 4.069 3.960 0.000 0.000 0.250 477 G HA3 0.109 4.069 3.960 0.000 0.000 0.250 477 G C 1.312 176.218 174.900 0.010 0.000 1.024 477 G CA -0.286 44.824 45.100 0.016 0.000 0.840 477 G HN 0.036 nan 8.290 nan 0.000 0.522 478 V N 1.376 121.292 119.914 0.004 0.000 2.358 478 V HA -0.154 3.966 4.120 0.000 0.000 0.246 478 V C 3.061 179.171 176.094 0.027 0.000 1.047 478 V CA 2.568 64.872 62.300 0.006 0.000 1.035 478 V CB -0.730 31.096 31.823 0.005 0.000 0.658 478 V HN 0.389 nan 8.190 nan 0.000 0.452 479 T N 0.458 115.025 114.554 0.022 0.000 2.643 479 T HA -0.074 4.276 4.350 0.000 0.000 0.264 479 T C -0.546 174.157 174.700 0.004 0.000 1.045 479 T CA 1.807 63.912 62.100 0.008 0.000 1.155 479 T CB -1.152 67.718 68.868 0.002 0.000 0.863 479 T HN 0.482 nan 8.240 nan 0.000 0.420 480 P HA 0.535 nan 4.420 nan 0.000 0.190 480 P C -0.870 176.442 177.300 0.020 0.000 1.123 480 P CA 0.121 63.232 63.100 0.018 0.000 0.796 480 P CB 0.451 32.165 31.700 0.024 0.000 0.745 481 A N -1.442 121.390 122.820 0.021 0.000 2.518 481 A HA 0.652 4.972 4.320 0.000 0.000 0.295 481 A C -0.384 177.216 177.584 0.027 0.000 1.052 481 A CA 0.182 52.238 52.037 0.032 0.000 0.824 481 A CB 0.466 19.492 19.000 0.044 0.000 1.325 481 A HN 0.554 nan 8.150 nan 0.000 0.394 482 G N 1.476 110.291 108.800 0.025 0.000 2.586 482 G HA2 0.664 4.624 3.960 0.000 0.000 0.105 482 G HA3 0.664 4.624 3.960 0.000 0.000 0.105 482 G C -1.204 173.697 174.900 0.002 0.000 1.129 482 G CA 0.409 45.519 45.100 0.016 0.000 1.127 482 G HN 2.157 nan 8.290 nan 0.000 0.532 483 N N -1.228 117.434 118.700 -0.063 0.000 2.935 483 N HA 0.591 5.331 4.740 0.000 0.000 0.248 483 N C -1.230 174.116 175.510 -0.273 0.000 1.276 483 N CA -0.760 52.175 53.050 -0.192 0.000 0.906 483 N CB 1.999 40.372 38.487 -0.190 0.000 1.564 483 N HN 0.726 nan 8.380 nan 0.000 0.500 484 R N 0.996 121.249 120.500 -0.410 0.000 2.549 484 R HA 0.497 4.837 4.340 0.000 0.000 0.291 484 R C -1.529 174.507 176.300 -0.440 0.000 1.164 484 R CA -0.403 55.508 56.100 -0.315 0.000 0.973 484 R CB 0.947 31.144 30.300 -0.172 0.000 1.210 484 R HN 0.886 nan 8.270 nan 0.000 0.422 485 S N 1.969 117.425 115.700 -0.407 0.000 2.593 485 S HA 0.680 5.150 4.470 0.000 0.000 0.297 485 S C -0.594 173.758 174.600 -0.412 0.000 1.112 485 S CA -0.681 57.232 58.200 -0.479 0.000 1.043 485 S CB 2.234 65.329 63.200 -0.175 0.000 1.054 485 S HN 0.399 nan 8.310 nan 0.000 0.516 486 V N 0.886 120.380 119.914 -0.701 0.000 2.668 486 V HA 0.804 4.924 4.120 0.000 0.000 0.304 486 V C -0.498 175.466 176.094 -0.217 0.000 1.071 486 V CA -0.412 61.672 62.300 -0.360 0.000 0.894 486 V CB 1.152 32.776 31.823 -0.331 0.000 1.008 486 V HN 1.458 nan 8.190 nan 0.000 0.425 487 A N 4.882 127.789 122.820 0.144 0.000 2.305 487 A HA 0.925 5.245 4.320 0.000 0.000 0.322 487 A C 0.064 177.798 177.584 0.249 0.000 1.187 487 A CA -0.352 51.891 52.037 0.344 0.000 0.825 487 A CB 1.405 20.670 19.000 0.442 0.000 1.164 487 A HN 1.073 nan 8.150 nan 0.000 0.498 488 S N 0.114 115.988 115.700 0.291 0.000 2.600 488 S HA 0.764 5.234 4.470 0.000 0.000 0.300 488 S C -1.260 173.529 174.600 0.315 0.000 1.087 488 S CA -0.412 57.960 58.200 0.286 0.000 0.965 488 S CB 1.508 64.895 63.200 0.312 0.000 1.089 488 S HN 0.840 nan 8.310 nan 0.000 0.496 489 L N 3.223 124.637 121.223 0.319 0.000 2.617 489 L HA 0.532 4.872 4.340 0.000 0.000 0.259 489 L C -1.411 175.612 176.870 0.254 0.000 0.995 489 L CA -0.346 54.636 54.840 0.237 0.000 0.899 489 L CB 0.341 42.528 42.059 0.212 0.000 1.181 489 L HN 0.654 nan 8.230 nan 0.000 0.437 490 F N 2.773 122.825 119.950 0.170 0.000 2.497 490 F HA 1.012 5.539 4.527 0.000 0.000 0.331 490 F C -0.125 175.779 175.800 0.173 0.000 1.060 490 F CA -0.651 57.439 58.000 0.150 0.000 0.989 490 F CB 1.828 40.902 39.000 0.124 0.000 1.245 490 F HN 0.561 nan 8.300 nan 0.000 0.486 491 A N 2.707 125.716 122.820 0.316 0.000 2.522 491 A HA 0.474 4.794 4.320 0.000 0.000 0.290 491 A C -1.883 175.868 177.584 0.278 0.000 1.047 491 A CA -0.865 51.319 52.037 0.246 0.000 0.935 491 A CB 0.123 19.200 19.000 0.128 0.000 1.451 491 A HN 0.960 nan 8.150 nan 0.000 0.398 492 N N 1.214 120.108 118.700 0.323 0.000 2.292 492 N HA 0.796 5.536 4.740 0.000 0.000 0.303 492 N C -1.281 174.369 175.510 0.234 0.000 1.140 492 N CA -0.884 52.309 53.050 0.239 0.000 0.788 492 N CB 1.936 40.543 38.487 0.200 0.000 1.361 492 N HN 0.597 nan 8.380 nan 0.000 0.489 493 L N 0.100 121.443 121.223 0.201 0.000 2.376 493 L HA 0.602 4.942 4.340 0.000 0.000 0.275 493 L C -0.943 176.045 176.870 0.197 0.000 0.987 493 L CA -0.012 54.965 54.840 0.228 0.000 0.828 493 L CB 1.777 43.984 42.059 0.246 0.000 1.249 493 L HN 0.722 nan 8.230 nan 0.000 0.409 494 T N 4.460 119.116 114.554 0.171 0.000 2.859 494 T HA 0.452 4.802 4.350 0.000 0.000 0.281 494 T C -1.567 173.179 174.700 0.077 0.000 1.005 494 T CA -0.042 62.120 62.100 0.103 0.000 1.025 494 T CB 0.924 69.813 68.868 0.034 0.000 0.977 494 T HN 0.439 nan 8.240 nan 0.000 0.458 495 Y N 2.331 122.548 120.300 -0.139 0.000 2.338 495 Y HA 0.519 5.069 4.550 0.000 0.000 0.333 495 Y C -1.424 174.285 175.900 -0.319 0.000 0.968 495 Y CA -1.077 56.793 58.100 -0.383 0.000 1.123 495 Y CB 1.155 39.403 38.460 -0.355 0.000 1.165 495 Y HN 0.498 nan 8.280 nan 0.000 0.452 496 D N 4.739 124.554 120.400 -0.974 0.000 2.350 496 D HA 0.238 4.878 4.640 0.000 0.000 0.245 496 D C -1.799 173.882 176.300 -1.031 0.000 1.036 496 D CA -0.094 53.421 54.000 -0.809 0.000 0.848 496 D CB 1.895 42.426 40.800 -0.448 0.000 1.307 496 D HN 0.626 nan 8.370 nan 0.000 0.469 497 Y N 1.278 120.995 120.300 -0.973 0.000 2.329 497 Y HA 0.181 4.731 4.550 0.000 0.000 0.328 497 Y C -0.418 175.077 175.900 -0.676 0.000 0.992 497 Y CA -0.738 56.828 58.100 -0.890 0.000 1.151 497 Y CB 0.929 38.856 38.460 -0.888 0.000 1.150 497 Y HN 0.243 nan 8.280 nan 0.000 0.450 498 D N 3.948 123.791 120.400 -0.928 0.000 2.860 498 D HA -0.215 4.425 4.640 0.000 0.000 0.229 498 D C 1.132 177.314 176.300 -0.196 0.000 1.169 498 D CA 1.908 55.586 54.000 -0.538 0.000 0.737 498 D CB -1.299 39.210 40.800 -0.485 0.000 1.080 498 D HN 1.253 nan 8.370 nan 0.000 0.424 499 G N -0.297 108.351 108.800 -0.254 0.000 2.341 499 G HA2 -0.270 3.690 3.960 0.000 0.000 0.292 499 G HA3 -0.270 3.690 3.960 0.000 0.000 0.292 499 G C 0.697 175.631 174.900 0.056 0.000 1.021 499 G CA 0.877 45.912 45.100 -0.107 0.000 0.905 499 G HN 0.720 nan 8.290 nan 0.000 0.508 500 W N -2.617 118.630 121.300 -0.089 0.000 2.120 500 W HA 0.581 5.241 4.660 0.000 0.000 0.227 500 W C -0.482 176.054 176.519 0.029 0.000 0.910 500 W CA -0.238 57.098 57.345 -0.015 0.000 1.111 500 W CB 0.245 29.704 29.460 -0.002 0.000 0.887 500 W HN 0.365 nan 8.180 nan 0.000 0.598 501 L N 2.929 123.786 121.223 -0.610 0.000 2.346 501 L HA 0.826 5.166 4.340 0.000 0.000 0.274 501 L C -0.862 175.806 176.870 -0.337 0.000 1.007 501 L CA -0.078 54.430 54.840 -0.553 0.000 0.818 501 L CB 2.267 43.741 42.059 -0.975 0.000 1.284 501 L HN -0.019 nan 8.230 nan 0.000 0.424 502 T N 5.499 119.960 114.554 -0.155 0.000 2.991 502 T HA 0.607 4.957 4.350 0.000 0.000 0.303 502 T C -1.286 173.422 174.700 0.013 0.000 1.015 502 T CA -0.242 61.796 62.100 -0.104 0.000 1.007 502 T CB 1.245 70.080 68.868 -0.054 0.000 1.034 502 T HN 0.291 nan 8.240 nan 0.000 0.446 503 L N 2.957 124.225 121.223 0.075 0.000 2.388 503 L HA 0.484 4.824 4.340 0.000 0.000 0.267 503 L C 0.069 177.016 176.870 0.128 0.000 0.995 503 L CA -0.407 54.513 54.840 0.134 0.000 0.864 503 L CB 1.483 43.657 42.059 0.192 0.000 1.216 503 L HN 0.674 nan 8.230 nan 0.000 0.430 504 E N 1.779 122.039 120.200 0.100 0.000 2.191 504 E HA 0.773 5.123 4.350 0.000 0.000 0.278 504 E C -0.491 176.169 176.600 0.101 0.000 0.972 504 E CA -0.687 55.770 56.400 0.095 0.000 0.804 504 E CB 1.591 31.331 29.700 0.066 0.000 1.110 504 E HN 0.655 nan 8.360 nan 0.000 0.394 505 G N 1.865 110.731 108.800 0.109 0.000 2.684 505 G HA2 0.580 4.540 3.960 0.000 0.000 0.289 505 G HA3 0.580 4.540 3.960 0.000 0.000 0.289 505 G C -0.953 174.015 174.900 0.113 0.000 1.416 505 G CA -0.171 44.991 45.100 0.103 0.000 1.235 505 G HN 0.670 nan 8.290 nan 0.000 0.576 506 G N -0.124 108.737 108.800 0.101 0.000 2.708 506 G HA2 0.905 4.865 3.960 0.000 0.000 0.289 506 G HA3 0.905 4.865 3.960 0.000 0.000 0.289 506 G C -1.542 173.423 174.900 0.108 0.000 1.416 506 G CA -0.552 44.621 45.100 0.123 0.000 0.829 506 G HN 1.558 nan 8.290 nan 0.000 0.480 507 L N -2.134 119.171 121.223 0.137 0.000 2.465 507 L HA 0.900 5.240 4.340 0.000 0.000 0.257 507 L C -0.656 176.322 176.870 0.180 0.000 0.988 507 L CA -1.464 53.451 54.840 0.125 0.000 0.827 507 L CB 1.982 44.102 42.059 0.101 0.000 1.397 507 L HN 0.781 nan 8.230 nan 0.000 0.410 508 R N 1.217 121.818 120.500 0.168 0.000 2.621 508 R HA 0.572 4.912 4.340 0.000 0.000 0.292 508 R C -2.078 174.347 176.300 0.208 0.000 0.969 508 R CA -0.625 55.608 56.100 0.221 0.000 0.887 508 R CB 1.793 32.212 30.300 0.199 0.000 1.180 508 R HN 0.883 nan 8.270 nan 0.000 0.450 509 Y N 3.849 124.215 120.300 0.111 0.000 2.335 509 Y HA 0.373 4.923 4.550 0.000 0.000 0.338 509 Y C -1.219 174.745 175.900 0.107 0.000 0.977 509 Y CA -0.410 57.727 58.100 0.063 0.000 1.114 509 Y CB 1.355 39.838 38.460 0.038 0.000 1.182 509 Y HN 0.621 nan 8.280 nan 0.000 0.463 510 D N 5.035 125.103 120.400 -0.553 0.000 2.433 510 D HA 0.450 5.090 4.640 0.000 0.000 0.236 510 D C -1.175 174.887 176.300 -0.396 0.000 1.026 510 D CA -0.705 53.152 54.000 -0.238 0.000 0.884 510 D CB 2.136 43.006 40.800 0.117 0.000 1.384 510 D HN 0.644 nan 8.370 nan 0.000 0.477 511 R N 0.185 120.678 120.500 -0.012 0.000 2.522 511 R HA 0.410 4.750 4.340 0.000 0.000 0.283 511 R C -1.810 174.637 176.300 0.244 0.000 1.074 511 R CA -0.905 55.267 56.100 0.120 0.000 0.925 511 R CB 0.350 30.690 30.300 0.068 0.000 1.205 511 R HN 0.512 nan 8.270 nan 0.000 0.436 512 Y N 0.585 120.961 120.300 0.128 0.000 2.568 512 Y HA 0.823 5.373 4.550 0.000 0.000 0.327 512 Y C -0.653 175.249 175.900 0.003 0.000 1.163 512 Y CA -1.400 56.701 58.100 0.001 0.000 1.219 512 Y CB 1.727 40.133 38.460 -0.090 0.000 1.308 512 Y HN 0.739 nan 8.280 nan 0.000 0.503 513 R N 3.044 123.415 120.500 -0.215 0.000 2.713 513 R HA 0.386 4.726 4.340 0.000 0.000 0.282 513 R C -2.605 173.590 176.300 -0.175 0.000 1.472 513 R CA -0.539 55.400 56.100 -0.269 0.000 1.060 513 R CB 0.711 30.959 30.300 -0.086 0.000 1.237 513 R HN 0.845 nan 8.270 nan 0.000 0.484 514 L N 3.566 124.672 121.223 -0.195 0.000 2.289 514 L HA 0.638 4.979 4.340 0.000 0.000 0.285 514 L C -0.771 176.047 176.870 -0.087 0.000 1.049 514 L CA 0.113 54.910 54.840 -0.071 0.000 0.804 514 L CB 0.897 42.989 42.059 0.054 0.000 1.195 514 L HN 0.660 nan 8.230 nan 0.000 0.428 515 R N 3.271 123.731 120.500 -0.066 0.000 2.698 515 R HA 0.868 5.208 4.340 0.000 0.000 0.275 515 R C -1.001 175.289 176.300 -0.018 0.000 1.001 515 R CA -0.780 55.300 56.100 -0.035 0.000 0.896 515 R CB 2.281 32.575 30.300 -0.010 0.000 1.218 515 R HN 0.919 nan 8.270 nan 0.000 0.462 516 G N 1.473 110.275 108.800 0.003 0.000 2.358 516 G HA2 0.196 4.156 3.960 0.000 0.000 0.301 516 G HA3 0.196 4.156 3.960 0.000 0.000 0.301 516 G C -1.917 173.009 174.900 0.043 0.000 1.539 516 G CA -0.856 44.256 45.100 0.021 0.000 0.893 516 G HN 0.275 nan 8.290 nan 0.000 0.636 517 Q N -0.501 119.333 119.800 0.058 0.000 2.215 517 Q HA 0.901 5.241 4.340 0.000 0.000 0.256 517 Q C 0.127 176.190 176.000 0.105 0.000 0.972 517 Q CA -0.410 55.443 55.803 0.084 0.000 0.889 517 Q CB 2.120 30.899 28.738 0.068 0.000 1.281 517 Q HN 0.811 nan 8.270 nan 0.000 0.456 518 T N -1.011 113.635 114.554 0.154 0.000 2.907 518 T HA 0.692 5.043 4.350 0.000 0.000 0.344 518 T C -1.290 173.565 174.700 0.259 0.000 1.675 518 T CA -0.099 62.115 62.100 0.190 0.000 1.076 518 T CB 0.898 69.882 68.868 0.193 0.000 1.483 518 T HN 0.701 nan 8.240 nan 0.000 0.487 519 G N 0.992 109.934 108.800 0.238 0.000 2.949 519 G HA2 0.878 4.838 3.960 0.000 0.000 0.285 519 G HA3 0.878 4.838 3.960 0.000 0.000 0.285 519 G C -1.728 173.342 174.900 0.284 0.000 1.395 519 G CA -0.665 44.565 45.100 0.216 0.000 0.901 519 G HN 1.245 nan 8.290 nan 0.000 0.519 520 L N -0.502 120.868 121.223 0.246 0.000 2.902 520 L HA 0.542 4.882 4.340 0.000 0.000 0.261 520 L C -1.270 175.746 176.870 0.243 0.000 0.928 520 L CA -0.482 54.556 54.840 0.330 0.000 1.024 520 L CB 1.530 43.857 42.059 0.447 0.000 1.629 520 L HN 0.563 nan 8.230 nan 0.000 0.478 521 S N 3.267 119.102 115.700 0.226 0.000 2.475 521 S HA 0.766 5.236 4.470 0.000 0.000 0.298 521 S C -1.309 173.385 174.600 0.155 0.000 1.119 521 S CA -0.368 57.897 58.200 0.108 0.000 1.085 521 S CB 1.201 64.431 63.200 0.050 0.000 1.028 521 S HN 0.547 nan 8.310 nan 0.000 0.489 522 Y N 0.255 120.552 120.300 -0.005 0.000 2.545 522 Y HA 0.708 5.258 4.550 0.000 0.000 0.348 522 Y C -3.376 172.505 175.900 -0.032 0.000 1.002 522 Y CA -3.489 54.589 58.100 -0.037 0.000 1.039 522 Y CB 0.274 38.681 38.460 -0.087 0.000 1.271 522 Y HN 0.313 nan 8.280 nan 0.000 0.467 523 P HA 0.105 nan 4.420 nan 0.000 0.264 523 P C -1.071 176.256 177.300 0.045 0.000 1.236 523 P CA 0.695 63.814 63.100 0.032 0.000 0.811 523 P CB 0.423 32.160 31.700 0.061 0.000 0.840 524 D N 2.480 122.846 120.400 -0.058 0.000 2.457 524 D HA 0.275 4.915 4.640 0.000 0.000 0.240 524 D C -0.938 175.358 176.300 -0.006 0.000 1.041 524 D CA -0.531 53.449 54.000 -0.033 0.000 0.861 524 D CB 1.189 41.895 40.800 -0.157 0.000 1.394 524 D HN 0.017 nan 8.370 nan 0.000 0.473 525 L N 3.084 124.325 121.223 0.029 0.000 2.449 525 L HA 0.676 5.016 4.340 0.000 0.000 0.255 525 L C -0.769 176.211 176.870 0.182 0.000 1.167 525 L CA 0.108 55.024 54.840 0.126 0.000 1.090 525 L CB -1.038 41.087 42.059 0.110 0.000 1.385 525 L HN 0.563 nan 8.230 nan 0.000 0.411 526 A N 3.508 126.362 122.820 0.057 0.000 2.534 526 A HA 0.632 4.952 4.320 0.000 0.000 0.300 526 A C -0.061 177.380 177.584 -0.238 0.000 1.223 526 A CA -0.415 51.453 52.037 -0.282 0.000 0.666 526 A CB 1.891 20.735 19.000 -0.260 0.000 1.316 526 A HN 0.419 nan 8.150 nan 0.000 0.468 527 K N -1.323 118.844 120.400 -0.389 0.000 2.847 527 K HA 0.221 4.541 4.320 0.000 0.000 0.251 527 K C -0.939 175.585 176.600 -0.127 0.000 1.299 527 K CA 0.113 56.307 56.287 -0.155 0.000 0.926 527 K CB 0.461 32.914 32.500 -0.079 0.000 1.824 527 K HN 0.556 nan 8.250 nan 0.000 0.388 528 D N 0.549 120.871 120.400 -0.130 0.000 2.970 528 D HA 0.252 4.892 4.640 0.000 0.000 0.282 528 D C 0.246 176.483 176.300 -0.105 0.000 1.291 528 D CA 0.511 54.456 54.000 -0.092 0.000 0.967 528 D CB 0.595 41.359 40.800 -0.060 0.000 1.017 528 D HN 0.747 nan 8.370 nan 0.000 0.512 529 G N 1.054 109.782 108.800 -0.121 0.000 2.396 529 G HA2 -0.302 3.658 3.960 0.000 0.000 0.242 529 G HA3 -0.302 3.658 3.960 0.000 0.000 0.242 529 G C 0.521 175.342 174.900 -0.133 0.000 1.069 529 G CA -0.209 44.822 45.100 -0.114 0.000 0.633 529 G HN 0.385 nan 8.290 nan 0.000 0.517 530 Q N 1.122 120.823 119.800 -0.164 0.000 2.286 530 Q HA 0.327 4.667 4.340 0.000 0.000 0.267 530 Q C 0.628 176.448 176.000 -0.300 0.000 1.028 530 Q CA 0.009 55.697 55.803 -0.191 0.000 0.901 530 Q CB 1.007 29.636 28.738 -0.182 0.000 1.183 530 Q HN 0.616 nan 8.270 nan 0.000 0.392 531 R N 2.719 123.099 120.500 -0.199 0.000 2.308 531 R HA 0.138 4.478 4.340 0.000 0.000 0.305 531 R C -0.781 175.452 176.300 -0.111 0.000 1.053 531 R CA -0.480 55.519 56.100 -0.169 0.000 0.957 531 R CB 0.487 30.754 30.300 -0.055 0.000 1.022 531 R HN 0.413 nan 8.270 nan 0.000 0.461 532 Y N 3.747 124.076 120.300 0.049 0.000 2.576 532 Y HA 0.024 4.574 4.550 0.000 0.000 0.348 532 Y C 0.885 176.860 175.900 0.125 0.000 1.212 532 Y CA 0.093 58.247 58.100 0.090 0.000 1.683 532 Y CB -0.151 38.378 38.460 0.115 0.000 1.484 532 Y HN 0.543 nan 8.280 nan 0.000 0.477 533 T N -2.070 112.624 114.554 0.233 0.000 2.889 533 T HA 0.269 4.619 4.350 0.000 0.000 0.278 533 T C 1.266 176.026 174.700 0.100 0.000 0.995 533 T CA -0.745 61.459 62.100 0.174 0.000 0.966 533 T CB 1.084 69.996 68.868 0.073 0.000 1.237 533 T HN 0.308 nan 8.240 nan 0.000 0.591 534 I N 1.788 122.298 120.570 -0.100 0.000 2.113 534 I HA -0.196 3.974 4.170 0.000 0.000 0.242 534 I C 1.552 177.516 176.117 -0.255 0.000 1.064 534 I CA 2.166 63.170 61.300 -0.492 0.000 1.320 534 I CB -0.584 37.151 38.000 -0.442 0.000 1.028 534 I HN 0.874 nan 8.210 nan 0.000 0.406 535 D N -1.109 119.224 120.400 -0.111 0.000 2.336 535 D HA 0.036 4.676 4.640 0.000 0.000 0.228 535 D C 0.124 176.427 176.300 0.003 0.000 1.120 535 D CA 0.098 54.064 54.000 -0.056 0.000 0.839 535 D CB -0.822 39.953 40.800 -0.043 0.000 0.932 535 D HN 0.385 nan 8.370 nan 0.000 0.509 536 N N 0.374 119.103 118.700 0.048 0.000 2.732 536 N HA 0.233 4.974 4.740 0.000 0.000 0.235 536 N C -3.026 172.634 175.510 0.249 0.000 1.466 536 N CA -1.303 51.824 53.050 0.128 0.000 0.751 536 N CB 1.103 39.657 38.487 0.112 0.000 1.317 536 N HN -0.173 nan 8.380 nan 0.000 0.525 537 P HA 0.057 nan 4.420 nan 0.000 0.271 537 P C 0.807 178.179 177.300 0.120 0.000 1.244 537 P CA -0.373 62.844 63.100 0.195 0.000 0.793 537 P CB 0.920 32.695 31.700 0.125 0.000 0.984 538 c N -0.142 118.393 118.600 -0.109 0.000 2.504 538 c HA 0.115 4.685 4.570 0.000 0.000 0.279 538 c C 0.810 174.816 174.090 -0.140 0.000 1.358 538 c CA 0.612 56.625 56.329 -0.527 0.000 1.747 538 c CB -1.690 40.422 42.510 -0.662 0.000 2.037 538 c HN 0.559 nan 8.230 nan 0.000 0.503 539 K N -0.145 120.267 120.400 0.020 0.000 3.167 539 K HA -0.145 4.175 4.320 0.000 0.000 0.272 539 K C -0.239 176.397 176.600 0.059 0.000 1.137 539 K CA 0.906 57.222 56.287 0.050 0.000 0.800 539 K CB -1.939 30.588 32.500 0.045 0.000 1.253 539 K HN 0.758 nan 8.250 nan 0.000 0.497 540 A N -0.863 122.025 122.820 0.114 0.000 2.389 540 A HA 0.793 5.113 4.320 0.000 0.000 0.293 540 A C 0.636 178.335 177.584 0.192 0.000 1.186 540 A CA -0.421 51.660 52.037 0.072 0.000 0.828 540 A CB 0.801 19.760 19.000 -0.068 0.000 1.369 540 A HN 0.166 nan 8.150 nan 0.000 0.446 541 L N -1.163 120.112 121.223 0.087 0.000 2.357 541 L HA 0.414 4.754 4.340 0.000 0.000 0.211 541 L C 0.664 177.590 176.870 0.095 0.000 1.075 541 L CA 1.263 56.177 54.840 0.123 0.000 0.830 541 L CB -0.301 41.789 42.059 0.050 0.000 0.996 541 L HN 0.711 nan 8.230 nan 0.000 0.467 542 R N -1.809 118.627 120.500 -0.106 0.000 2.902 542 R HA 0.428 4.768 4.340 0.000 0.000 0.258 542 R C 0.785 176.713 176.300 -0.619 0.000 1.071 542 R CA -0.586 55.373 56.100 -0.235 0.000 1.024 542 R CB 0.564 30.782 30.300 -0.138 0.000 1.184 542 R HN -0.089 nan 8.270 nan 0.000 0.492 543 L N 0.354 121.234 121.223 -0.571 0.000 2.156 543 L HA -0.103 4.237 4.340 0.000 0.000 0.208 543 L C 1.885 178.571 176.870 -0.307 0.000 1.095 543 L CA 1.674 56.162 54.840 -0.586 0.000 0.770 543 L CB -0.392 41.466 42.059 -0.335 0.000 0.914 543 L HN 0.940 nan 8.230 nan 0.000 0.439 544 T N -3.307 111.127 114.554 -0.200 0.000 2.918 544 T HA -0.147 4.203 4.350 0.000 0.000 0.271 544 T C 1.502 176.139 174.700 -0.104 0.000 1.104 544 T CA 1.162 63.194 62.100 -0.114 0.000 1.114 544 T CB -0.586 68.233 68.868 -0.081 0.000 0.855 544 T HN 0.406 nan 8.240 nan 0.000 0.518 545 G N -1.341 107.365 108.800 -0.156 0.000 3.371 545 G HA2 0.323 4.284 3.960 0.000 0.000 0.248 545 G HA3 0.323 4.284 3.960 0.000 0.000 0.248 545 G C 0.935 175.771 174.900 -0.107 0.000 1.161 545 G CA 0.224 45.257 45.100 -0.111 0.000 0.796 545 G HN 0.593 nan 8.290 nan 0.000 0.539 546 c N -0.280 118.247 118.600 -0.121 0.000 3.685 546 c HA 0.311 4.881 4.570 0.000 0.000 0.513 546 c C 1.494 175.646 174.090 0.103 0.000 1.448 546 c CA 0.174 56.474 56.329 -0.049 0.000 2.275 546 c CB -0.181 42.181 42.510 -0.248 0.000 3.373 546 c HN 0.442 nan 8.230 nan 0.000 0.627 547 S N 1.255 116.969 115.700 0.023 0.000 2.562 547 S HA 0.708 5.178 4.470 0.000 0.000 0.275 547 S C -0.369 174.246 174.600 0.025 0.000 1.281 547 S CA 0.254 58.477 58.200 0.039 0.000 1.045 547 S CB 1.072 64.284 63.200 0.021 0.000 0.962 547 S HN 0.441 nan 8.310 nan 0.000 0.503 548 T N 0.856 115.415 114.554 0.007 0.000 2.671 548 T HA 0.557 4.907 4.350 0.000 0.000 0.300 548 T C -0.856 173.806 174.700 -0.064 0.000 1.238 548 T CA -0.737 61.347 62.100 -0.026 0.000 1.020 548 T CB 1.558 70.404 68.868 -0.036 0.000 1.503 548 T HN 0.764 nan 8.240 nan 0.000 0.497 549 T N 1.208 115.707 114.554 -0.091 0.000 2.807 549 T HA 0.617 4.967 4.350 0.000 0.000 0.279 549 T C -0.966 173.603 174.700 -0.218 0.000 0.993 549 T CA -0.274 61.741 62.100 -0.141 0.000 0.970 549 T CB 0.828 69.646 68.868 -0.084 0.000 0.950 549 T HN 0.526 nan 8.240 nan 0.000 0.441 550 T N 4.470 118.782 114.554 -0.404 0.000 2.794 550 T HA 0.544 4.894 4.350 0.000 0.000 0.280 550 T C -0.344 174.113 174.700 -0.406 0.000 0.987 550 T CA -0.678 61.146 62.100 -0.461 0.000 0.993 550 T CB 1.094 69.552 68.868 -0.684 0.000 0.939 550 T HN 0.547 nan 8.240 nan 0.000 0.449 551 R N 2.273 122.642 120.500 -0.219 0.000 2.346 551 R HA 0.436 4.776 4.340 0.000 0.000 0.311 551 R C -0.657 175.572 176.300 -0.118 0.000 0.983 551 R CA -0.566 55.462 56.100 -0.120 0.000 0.880 551 R CB 0.709 30.965 30.300 -0.073 0.000 1.100 551 R HN 0.676 nan 8.270 nan 0.000 0.453 552 E N 3.055 123.207 120.200 -0.081 0.000 2.182 552 E HA 0.233 4.583 4.350 0.000 0.000 0.258 552 E C -1.197 175.196 176.600 -0.344 0.000 0.879 552 E CA -0.743 55.517 56.400 -0.234 0.000 0.754 552 E CB 0.820 30.398 29.700 -0.203 0.000 1.162 552 E HN 0.572 nan 8.360 nan 0.000 0.419 553 D N 3.890 124.082 120.400 -0.347 0.000 2.177 553 D HA 0.228 4.868 4.640 0.000 0.000 0.247 553 D C -1.023 175.068 176.300 -0.348 0.000 1.063 553 D CA -0.029 53.827 54.000 -0.240 0.000 0.867 553 D CB 0.588 41.333 40.800 -0.091 0.000 1.168 553 D HN 0.334 nan 8.370 nan 0.000 0.445 554 W N 0.672 122.010 121.300 0.063 0.000 2.529 554 W HA 0.237 4.897 4.660 0.000 0.000 0.321 554 W C 0.157 176.687 176.519 0.018 0.000 1.047 554 W CA -0.835 56.538 57.345 0.048 0.000 1.216 554 W CB 1.159 30.653 29.460 0.056 0.000 1.357 554 W HN 0.137 nan 8.180 nan 0.000 0.489 555 D N 2.974 123.506 120.400 0.221 0.000 2.518 555 D HA 0.203 4.843 4.640 0.000 0.000 0.230 555 D C -0.553 175.801 176.300 0.091 0.000 1.138 555 D CA -0.240 53.833 54.000 0.122 0.000 0.964 555 D CB 0.471 41.316 40.800 0.075 0.000 1.011 555 D HN 0.015 nan 8.370 nan 0.000 0.517 556 V N 2.901 122.858 119.914 0.071 0.000 2.585 556 V HA 0.154 4.274 4.120 0.000 0.000 0.296 556 V C 0.609 176.689 176.094 -0.024 0.000 1.035 556 V CA 0.328 62.624 62.300 -0.006 0.000 1.084 556 V CB 1.165 32.964 31.823 -0.041 0.000 0.953 556 V HN 0.463 nan 8.190 nan 0.000 0.483 557 D N 3.756 124.125 120.400 -0.052 0.000 3.285 557 D HA 0.160 4.800 4.640 0.000 0.000 0.273 557 D C 0.130 176.369 176.300 -0.100 0.000 1.295 557 D CA -0.560 53.404 54.000 -0.060 0.000 0.762 557 D CB 0.485 41.268 40.800 -0.028 0.000 1.379 557 D HN 0.662 nan 8.370 nan 0.000 0.612 558 R N 0.722 121.135 120.500 -0.145 0.000 2.573 558 R HA 0.771 5.111 4.340 0.000 0.000 0.272 558 R C -0.853 175.203 176.300 -0.406 0.000 1.009 558 R CA -0.666 55.321 56.100 -0.188 0.000 1.059 558 R CB 1.276 31.505 30.300 -0.117 0.000 1.112 558 R HN 0.095 nan 8.270 nan 0.000 0.517 559 D N 0.429 120.589 120.400 -0.400 0.000 2.746 559 D HA 0.117 4.757 4.640 0.000 0.000 0.211 559 D C -1.207 174.975 176.300 -0.197 0.000 1.242 559 D CA -0.703 52.965 54.000 -0.553 0.000 0.790 559 D CB 1.096 41.710 40.800 -0.310 0.000 1.744 559 D HN 0.789 nan 8.370 nan 0.000 0.520 560 Q N 0.585 120.364 119.800 -0.035 0.000 2.685 560 Q HA 0.744 5.084 4.340 0.000 0.000 0.301 560 Q C -1.194 174.926 176.000 0.200 0.000 0.924 560 Q CA -1.434 54.471 55.803 0.169 0.000 0.755 560 Q CB 1.663 30.558 28.738 0.261 0.000 1.470 560 Q HN 0.546 nan 8.270 nan 0.000 0.434 561 G N 0.282 109.091 108.800 0.015 0.000 2.453 561 G HA2 0.636 4.596 3.960 0.000 0.000 0.323 561 G HA3 0.636 4.596 3.960 0.000 0.000 0.323 561 G C -1.674 172.861 174.900 -0.608 0.000 1.198 561 G CA -0.596 44.334 45.100 -0.284 0.000 0.959 561 G HN 0.483 nan 8.290 nan 0.000 0.482 562 K N 0.593 120.357 120.400 -1.061 0.000 2.535 562 K HA 0.547 4.867 4.320 0.000 0.000 0.251 562 K C -1.698 174.607 176.600 -0.492 0.000 0.942 562 K CA -0.726 55.000 56.287 -0.936 0.000 0.798 562 K CB 1.914 33.216 32.500 -1.996 0.000 1.267 562 K HN 0.414 nan 8.250 nan 0.000 0.434 563 L N 2.668 123.816 121.223 -0.125 0.000 2.307 563 L HA 0.668 5.008 4.340 0.000 0.000 0.282 563 L C -1.234 175.629 176.870 -0.012 0.000 1.051 563 L CA 0.409 55.281 54.840 0.053 0.000 0.804 563 L CB 1.623 43.769 42.059 0.145 0.000 1.197 563 L HN 0.676 nan 8.230 nan 0.000 0.431 564 S N 5.408 121.124 115.700 0.026 0.000 2.779 564 S HA 0.568 5.038 4.470 0.000 0.000 0.293 564 S C -2.691 171.919 174.600 0.017 0.000 1.150 564 S CA -0.993 57.214 58.200 0.011 0.000 1.057 564 S CB 1.421 64.632 63.200 0.018 0.000 1.021 564 S HN 0.459 nan 8.310 nan 0.000 0.485 565 P HA 0.373 nan 4.420 nan 0.000 0.272 565 P C -0.481 176.780 177.300 -0.066 0.000 1.223 565 P CA -0.252 62.848 63.100 0.000 0.000 0.784 565 P CB 0.536 32.252 31.700 0.027 0.000 0.923 566 T N -0.205 114.332 114.554 -0.028 0.000 3.109 566 T HA 0.667 5.017 4.350 0.000 0.000 0.311 566 T C -0.965 173.741 174.700 0.009 0.000 1.011 566 T CA -0.636 61.428 62.100 -0.060 0.000 1.026 566 T CB 0.161 69.004 68.868 -0.041 0.000 1.047 566 T HN -0.036 nan 8.240 nan 0.000 0.448 567 L N 1.762 122.998 121.223 0.021 0.000 2.283 567 L HA 1.062 5.402 4.340 0.000 0.000 0.259 567 L C -0.083 176.838 176.870 0.085 0.000 1.027 567 L CA -0.866 54.021 54.840 0.079 0.000 0.828 567 L CB 1.921 44.053 42.059 0.122 0.000 1.380 567 L HN 1.212 nan 8.230 nan 0.000 0.425 568 A N 0.271 123.156 122.820 0.109 0.000 2.594 568 A HA 0.820 5.140 4.320 0.000 0.000 0.296 568 A C -2.002 175.667 177.584 0.143 0.000 1.061 568 A CA -0.518 51.599 52.037 0.134 0.000 0.689 568 A CB 1.610 20.674 19.000 0.107 0.000 1.280 568 A HN 0.358 nan 8.150 nan 0.000 0.406 569 V N 0.558 120.580 119.914 0.180 0.000 2.668 569 V HA 0.798 4.918 4.120 0.000 0.000 0.304 569 V C -0.069 176.149 176.094 0.208 0.000 1.071 569 V CA 0.104 62.504 62.300 0.168 0.000 0.894 569 V CB 1.614 33.538 31.823 0.167 0.000 1.008 569 V HN 1.901 nan 8.190 nan 0.000 0.425 570 A N 4.410 127.332 122.820 0.170 0.000 2.398 570 A HA 0.983 5.303 4.320 0.000 0.000 0.301 570 A C -0.924 176.764 177.584 0.173 0.000 1.041 570 A CA -0.543 51.620 52.037 0.210 0.000 0.711 570 A CB 2.069 21.176 19.000 0.177 0.000 1.240 570 A HN 1.759 nan 8.150 nan 0.000 0.420 571 V N 0.007 120.060 119.914 0.231 0.000 2.971 571 V HA 0.777 4.897 4.120 0.000 0.000 0.309 571 V C -0.740 175.536 176.094 0.303 0.000 1.130 571 V CA -1.132 61.347 62.300 0.297 0.000 0.964 571 V CB 1.852 33.894 31.823 0.366 0.000 1.029 571 V HN 0.916 nan 8.190 nan 0.000 0.427 572 R N 3.420 124.140 120.500 0.366 0.000 2.368 572 R HA 0.502 4.842 4.340 0.000 0.000 0.302 572 R C -2.015 174.392 176.300 0.178 0.000 1.002 572 R CA -1.503 54.751 56.100 0.255 0.000 0.929 572 R CB 1.685 32.131 30.300 0.243 0.000 1.073 572 R HN 0.582 nan 8.270 nan 0.000 0.464 573 P HA -0.055 nan 4.420 nan 0.000 0.208 573 P C 0.669 177.930 177.300 -0.064 0.000 1.203 573 P CA 1.087 64.204 63.100 0.029 0.000 0.920 573 P CB 0.306 32.028 31.700 0.035 0.000 0.769 574 G N -2.602 106.170 108.800 -0.046 0.000 4.250 574 G HA2 0.363 4.323 3.960 0.000 0.000 0.242 574 G HA3 0.363 4.323 3.960 0.000 0.000 0.242 574 G C -0.925 173.949 174.900 -0.044 0.000 1.075 574 G CA 0.195 45.236 45.100 -0.098 0.000 0.846 574 G HN 0.375 nan 8.290 nan 0.000 0.445 575 V N -0.298 119.631 119.914 0.024 0.000 3.087 575 V HA 0.465 4.585 4.120 0.000 0.000 0.306 575 V C 0.175 176.346 176.094 0.128 0.000 1.187 575 V CA -0.629 61.715 62.300 0.072 0.000 0.999 575 V CB 2.143 34.021 31.823 0.092 0.000 1.049 575 V HN 0.271 nan 8.190 nan 0.000 0.431 576 E N 4.499 124.774 120.200 0.124 0.000 2.478 576 E HA -0.125 4.225 4.350 0.000 0.000 0.198 576 E C 1.364 178.052 176.600 0.146 0.000 1.046 576 E CA 0.960 57.432 56.400 0.119 0.000 0.870 576 E CB 0.096 29.846 29.700 0.082 0.000 0.818 576 E HN 0.833 nan 8.360 nan 0.000 0.527 577 W N 1.994 123.305 121.300 0.018 0.000 2.290 577 W HA -0.202 4.458 4.660 0.000 0.000 0.328 577 W C 0.519 177.070 176.519 0.053 0.000 1.272 577 W CA 1.282 58.639 57.345 0.019 0.000 1.262 577 W CB -0.270 29.185 29.460 -0.008 0.000 1.151 577 W HN 0.102 nan 8.180 nan 0.000 0.473 578 L N 0.397 121.734 121.223 0.190 0.000 2.350 578 L HA 0.423 4.763 4.340 0.000 0.000 0.260 578 L C -0.825 176.152 176.870 0.179 0.000 1.015 578 L CA -0.642 54.282 54.840 0.139 0.000 0.821 578 L CB 2.061 44.273 42.059 0.255 0.000 1.370 578 L HN -0.003 nan 8.230 nan 0.000 0.416 579 E N 3.670 124.004 120.200 0.222 0.000 2.260 579 E HA 0.439 4.789 4.350 0.000 0.000 0.266 579 E C -1.967 174.843 176.600 0.349 0.000 0.887 579 E CA -0.651 55.898 56.400 0.249 0.000 0.777 579 E CB 1.662 31.487 29.700 0.208 0.000 1.205 579 E HN 0.642 nan 8.360 nan 0.000 0.414 580 L N 4.686 126.093 121.223 0.306 0.000 2.343 580 L HA 0.614 4.954 4.340 0.000 0.000 0.275 580 L C -0.566 176.517 176.870 0.356 0.000 1.056 580 L CA -0.922 54.100 54.840 0.304 0.000 0.804 580 L CB 0.796 42.971 42.059 0.193 0.000 1.203 580 L HN 0.610 nan 8.230 nan 0.000 0.440 581 Y N -0.600 119.809 120.300 0.183 0.000 2.677 581 Y HA 0.725 5.275 4.550 0.000 0.000 0.334 581 Y C -1.230 174.772 175.900 0.170 0.000 1.196 581 Y CA -0.971 57.222 58.100 0.156 0.000 1.059 581 Y CB 1.845 40.381 38.460 0.126 0.000 1.315 581 Y HN 0.367 nan 8.280 nan 0.000 0.455 582 T N 1.915 116.658 114.554 0.315 0.000 3.395 582 T HA 0.518 4.868 4.350 0.000 0.000 0.330 582 T C -1.127 173.765 174.700 0.320 0.000 1.076 582 T CA -0.570 61.685 62.100 0.259 0.000 1.070 582 T CB 1.330 70.349 68.868 0.251 0.000 1.119 582 T HN 0.977 nan 8.240 nan 0.000 0.462 583 T N 0.840 115.582 114.554 0.314 0.000 2.885 583 T HA 0.812 5.162 4.350 0.000 0.000 0.285 583 T C -1.231 173.565 174.700 0.159 0.000 1.019 583 T CA -0.894 61.337 62.100 0.218 0.000 1.010 583 T CB 1.991 70.966 68.868 0.180 0.000 1.022 583 T HN 0.628 nan 8.240 nan 0.000 0.466 584 Y N 0.434 120.640 120.300 -0.157 0.000 2.513 584 Y HA 0.665 5.215 4.550 0.000 0.000 0.340 584 Y C -0.448 175.272 175.900 -0.300 0.000 1.055 584 Y CA -0.269 57.564 58.100 -0.445 0.000 1.020 584 Y CB 1.692 39.527 38.460 -1.042 0.000 1.301 584 Y HN 1.257 nan 8.280 nan 0.000 0.453 585 G N 3.929 112.013 108.800 -1.193 0.000 2.550 585 G HA2 0.556 4.516 3.960 0.000 0.000 0.293 585 G HA3 0.556 4.516 3.960 0.000 0.000 0.293 585 G C -2.243 172.206 174.900 -0.753 0.000 1.402 585 G CA -1.331 43.215 45.100 -0.924 0.000 0.784 585 G HN 0.552 nan 8.290 nan 0.000 0.482 586 K N -0.520 119.640 120.400 -0.401 0.000 2.435 586 K HA 0.806 5.126 4.320 0.000 0.000 0.251 586 K C -0.564 175.993 176.600 -0.073 0.000 0.954 586 K CA -0.735 55.434 56.287 -0.195 0.000 0.820 586 K CB 2.416 34.849 32.500 -0.112 0.000 1.292 586 K HN 0.516 nan 8.250 nan 0.000 0.436 587 S N 0.273 115.976 115.700 0.004 0.000 2.851 587 S HA 0.728 5.198 4.470 0.000 0.000 0.313 587 S C -2.150 172.568 174.600 0.198 0.000 1.163 587 S CA -0.644 57.600 58.200 0.073 0.000 0.850 587 S CB 0.990 64.205 63.200 0.025 0.000 1.245 587 S HN 0.624 nan 8.310 nan 0.000 0.558 588 W N 2.396 123.665 121.300 -0.051 0.000 4.117 588 W HA 0.459 5.119 4.660 0.000 0.000 0.297 588 W C -1.713 174.749 176.519 -0.094 0.000 1.208 588 W CA -0.336 56.972 57.345 -0.062 0.000 1.327 588 W CB 0.464 29.888 29.460 -0.059 0.000 1.178 588 W HN 0.789 nan 8.180 nan 0.000 0.457 589 R N 5.279 125.480 120.500 -0.498 0.000 2.439 589 R HA 0.782 5.122 4.340 0.000 0.000 0.310 589 R C -2.792 172.912 176.300 -0.994 0.000 0.955 589 R CA -1.823 53.870 56.100 -0.679 0.000 0.853 589 R CB 2.072 32.151 30.300 -0.368 0.000 1.171 589 R HN 0.030 nan 8.270 nan 0.000 0.449 590 P HA 0.206 nan 4.420 nan 0.000 0.273 590 P C -2.501 174.283 177.300 -0.860 0.000 1.250 590 P CA -1.501 60.770 63.100 -1.382 0.000 0.793 590 P CB -0.052 30.270 31.700 -2.297 0.000 1.011 591 P HA 0.118 nan 4.420 nan 0.000 0.269 591 P C -0.532 176.496 177.300 -0.453 0.000 1.215 591 P CA 0.222 63.032 63.100 -0.484 0.000 0.780 591 P CB 0.173 31.672 31.700 -0.335 0.000 0.898 592 A N 2.066 124.565 122.820 -0.535 0.000 2.287 592 A HA 0.245 4.565 4.320 0.000 0.000 0.273 592 A C 1.282 178.648 177.584 -0.364 0.000 1.091 592 A CA -0.235 51.512 52.037 -0.484 0.000 0.817 592 A CB -0.388 18.136 19.000 -0.794 0.000 1.069 592 A HN 0.444 nan 8.150 nan 0.000 0.492 593 I N 0.642 121.068 120.570 -0.239 0.000 2.127 593 I HA -0.210 3.960 4.170 0.000 0.000 0.241 593 I C 2.556 178.558 176.117 -0.190 0.000 1.075 593 I CA 2.433 63.634 61.300 -0.165 0.000 1.334 593 I CB -1.097 36.843 38.000 -0.101 0.000 1.040 593 I HN 0.723 nan 8.210 nan 0.000 0.405 594 T N 0.959 115.388 114.554 -0.210 0.000 2.652 594 T HA -0.221 4.130 4.350 0.000 0.000 0.267 594 T C 1.530 176.013 174.700 -0.361 0.000 1.039 594 T CA 1.769 63.755 62.100 -0.190 0.000 1.153 594 T CB -0.589 68.245 68.868 -0.057 0.000 0.863 594 T HN 0.641 nan 8.240 nan 0.000 0.428 595 E N 0.470 120.210 120.200 -0.767 0.000 2.516 595 E HA -0.009 4.341 4.350 0.000 0.000 0.199 595 E C 1.189 177.553 176.600 -0.395 0.000 1.069 595 E CA 0.717 56.502 56.400 -1.024 0.000 0.876 595 E CB -0.197 28.611 29.700 -1.486 0.000 0.843 595 E HN 0.347 nan 8.360 nan 0.000 0.530 596 T N 0.269 114.667 114.554 -0.261 0.000 3.019 596 T HA 0.216 4.566 4.350 0.000 0.000 0.247 596 T C 1.500 176.167 174.700 -0.054 0.000 0.992 596 T CA -0.067 61.947 62.100 -0.143 0.000 1.036 596 T CB 0.228 68.996 68.868 -0.167 0.000 1.063 596 T HN 0.090 nan 8.240 nan 0.000 0.476 597 L N 1.011 122.209 121.223 -0.042 0.000 2.638 597 L HA 0.272 4.612 4.340 0.000 0.000 0.232 597 L C 1.228 178.134 176.870 0.061 0.000 1.099 597 L CA -0.036 54.817 54.840 0.021 0.000 0.883 597 L CB -0.122 41.943 42.059 0.009 0.000 1.136 597 L HN 0.155 nan 8.230 nan 0.000 0.492 598 T N 3.318 117.905 114.554 0.055 0.000 2.765 598 T HA -0.074 4.276 4.350 0.000 0.000 0.275 598 T C 0.167 174.916 174.700 0.083 0.000 1.007 598 T CA 0.431 62.580 62.100 0.082 0.000 1.175 598 T CB -0.280 68.682 68.868 0.156 0.000 0.993 598 T HN 0.559 nan 8.240 nan 0.000 0.510 599 N N 3.698 122.418 118.700 0.034 0.000 2.827 599 N HA 0.456 5.196 4.740 0.000 0.000 0.240 599 N C -0.419 175.054 175.510 -0.062 0.000 1.352 599 N CA -0.451 52.597 53.050 -0.004 0.000 0.760 599 N CB 0.947 39.478 38.487 0.073 0.000 1.426 599 N HN 0.832 nan 8.380 nan 0.000 0.561 600 G N 0.127 108.843 108.800 -0.140 0.000 2.348 600 G HA2 0.584 4.544 3.960 0.000 0.000 0.296 600 G HA3 0.584 4.544 3.960 0.000 0.000 0.296 600 G C -2.035 172.754 174.900 -0.186 0.000 1.258 600 G CA -0.368 44.648 45.100 -0.139 0.000 0.868 600 G HN 1.026 nan 8.290 nan 0.000 0.488 601 S N -1.584 114.022 115.700 -0.157 0.000 2.649 601 S HA 0.667 5.137 4.470 0.000 0.000 0.274 601 S C 0.689 175.203 174.600 -0.142 0.000 1.176 601 S CA 0.629 58.722 58.200 -0.178 0.000 0.988 601 S CB 1.375 64.459 63.200 -0.194 0.000 1.071 601 S HN 2.093 nan 8.310 nan 0.000 0.478 602 A N 2.229 124.988 122.820 -0.101 0.000 1.877 602 A HA 0.191 4.511 4.320 0.000 0.000 0.216 602 A C 0.852 178.499 177.584 0.105 0.000 1.186 602 A CA 1.875 53.935 52.037 0.038 0.000 0.620 602 A CB -1.038 18.052 19.000 0.151 0.000 0.822 602 A HN 1.209 nan 8.150 nan 0.000 0.443 603 H N -2.956 116.117 119.070 0.006 0.000 2.931 603 H HA 0.686 5.242 4.556 0.000 0.000 0.331 603 H C 0.094 175.422 175.328 0.000 0.000 1.273 603 H CA -0.404 55.658 56.048 0.024 0.000 1.171 603 H CB 0.595 30.400 29.762 0.072 0.000 1.898 603 H HN 0.148 nan 8.280 nan 0.000 0.562 604 S N -0.415 115.351 115.700 0.110 0.000 2.617 604 S HA 0.215 4.685 4.470 0.000 0.000 0.259 604 S C 0.873 175.485 174.600 0.020 0.000 1.301 604 S CA -0.071 58.148 58.200 0.032 0.000 0.984 604 S CB 0.817 64.059 63.200 0.070 0.000 0.954 604 S HN 1.385 nan 8.310 nan 0.000 0.572 605 S N -0.910 114.792 115.700 0.003 0.000 3.380 605 S HA -0.186 4.284 4.470 0.000 0.000 0.300 605 S C -0.098 174.463 174.600 -0.066 0.000 1.255 605 S CA 0.990 59.195 58.200 0.007 0.000 0.963 605 S CB -1.695 61.548 63.200 0.071 0.000 1.106 605 S HN 1.860 nan 8.310 nan 0.000 0.629 606 S N -0.512 115.088 115.700 -0.168 0.000 2.582 606 S HA 0.602 5.072 4.470 0.000 0.000 0.287 606 S C -0.925 173.530 174.600 -0.241 0.000 1.146 606 S CA 0.372 58.436 58.200 -0.225 0.000 0.941 606 S CB 1.968 64.967 63.200 -0.335 0.000 1.115 606 S HN 0.417 nan 8.310 nan 0.000 0.458 607 T N 4.243 118.687 114.554 -0.182 0.000 2.952 607 T HA 0.454 4.804 4.350 0.000 0.000 0.305 607 T C -1.300 173.198 174.700 -0.336 0.000 1.064 607 T CA -0.598 61.338 62.100 -0.273 0.000 1.008 607 T CB 1.786 70.475 68.868 -0.298 0.000 1.078 607 T HN 0.659 nan 8.240 nan 0.000 0.459 608 Q N 1.839 121.415 119.800 -0.372 0.000 2.241 608 Q HA 0.548 4.888 4.340 0.000 0.000 0.254 608 Q C -1.272 174.514 176.000 -0.356 0.000 0.917 608 Q CA -0.625 55.020 55.803 -0.263 0.000 0.919 608 Q CB 1.587 30.246 28.738 -0.132 0.000 1.237 608 Q HN 0.602 nan 8.270 nan 0.000 0.434 609 Y N 1.039 121.380 120.300 0.068 0.000 2.562 609 Y HA 0.440 4.990 4.550 0.000 0.000 0.343 609 Y C -2.155 173.893 175.900 0.246 0.000 1.025 609 Y CA -2.641 55.590 58.100 0.218 0.000 1.082 609 Y CB 1.236 39.957 38.460 0.435 0.000 1.264 609 Y HN 0.532 nan 8.280 nan 0.000 0.478 610 P HA 0.165 nan 4.420 nan 0.000 0.276 610 P C -0.836 176.696 177.300 0.388 0.000 1.252 610 P CA -0.407 62.882 63.100 0.315 0.000 0.802 610 P CB 0.659 32.510 31.700 0.253 0.000 1.035 611 N N 0.764 119.593 118.700 0.216 0.000 2.707 611 N HA 0.247 4.987 4.740 0.000 0.000 0.249 611 N C -2.526 172.992 175.510 0.014 0.000 1.299 611 N CA -2.002 51.185 53.050 0.227 0.000 0.769 611 N CB 0.424 39.081 38.487 0.283 0.000 1.236 611 N HN 0.048 nan 8.380 nan 0.000 0.524 612 P HA 0.232 nan 4.420 nan 0.000 0.269 612 P C -0.448 176.364 177.300 -0.813 0.000 1.461 612 P CA 0.464 63.239 63.100 -0.542 0.000 0.809 612 P CB -0.503 30.651 31.700 -0.911 0.000 1.503 613 F N -2.444 117.405 119.950 -0.168 0.000 2.936 613 F HA 0.209 4.736 4.527 0.000 0.000 0.334 613 F C 0.685 176.457 175.800 -0.048 0.000 1.170 613 F CA -0.493 57.439 58.000 -0.113 0.000 1.104 613 F CB 0.225 39.137 39.000 -0.146 0.000 1.216 613 F HN -0.250 nan 8.300 nan 0.000 0.518 614 L N 3.320 124.581 121.223 0.063 0.000 2.513 614 L HA 0.054 4.394 4.340 0.000 0.000 0.272 614 L C 0.580 177.453 176.870 0.004 0.000 1.187 614 L CA 0.176 55.031 54.840 0.025 0.000 0.895 614 L CB 0.546 42.573 42.059 -0.054 0.000 1.147 614 L HN 0.323 nan 8.230 nan 0.000 0.483 615 Q N 4.682 124.497 119.800 0.026 0.000 2.259 615 Q HA 0.459 4.799 4.340 0.000 0.000 0.249 615 Q C -2.549 173.425 176.000 -0.043 0.000 0.914 615 Q CA -2.213 53.608 55.803 0.029 0.000 0.904 615 Q CB 0.763 29.544 28.738 0.072 0.000 1.213 615 Q HN 0.308 nan 8.270 nan 0.000 0.428 616 P HA -0.067 nan 4.420 nan 0.000 0.270 616 P C -1.005 176.207 177.300 -0.146 0.000 1.223 616 P CA -0.027 62.906 63.100 -0.278 0.000 0.785 616 P CB 0.428 31.858 31.700 -0.450 0.000 0.923 617 E N 1.639 121.707 120.200 -0.219 0.000 2.249 617 E HA 0.440 4.790 4.350 0.000 0.000 0.280 617 E C -0.247 176.372 176.600 0.032 0.000 1.016 617 E CA -0.929 55.441 56.400 -0.049 0.000 0.830 617 E CB 1.260 30.939 29.700 -0.036 0.000 1.081 617 E HN 0.210 nan 8.360 nan 0.000 0.395 618 R N 1.657 122.242 120.500 0.142 0.000 2.514 618 R HA 0.328 4.668 4.340 0.000 0.000 0.301 618 R C -0.812 175.577 176.300 0.149 0.000 0.962 618 R CA -0.409 55.808 56.100 0.195 0.000 0.882 618 R CB 1.926 32.353 30.300 0.211 0.000 1.143 618 R HN 0.852 nan 8.270 nan 0.000 0.452 619 S N 3.015 118.790 115.700 0.126 0.000 2.638 619 S HA 0.692 5.162 4.470 0.000 0.000 0.302 619 S C -0.611 174.023 174.600 0.056 0.000 1.096 619 S CA -0.928 57.333 58.200 0.100 0.000 0.953 619 S CB 2.756 66.003 63.200 0.078 0.000 1.107 619 S HN 0.526 nan 8.310 nan 0.000 0.503 620 R N 0.756 121.294 120.500 0.063 0.000 2.512 620 R HA 0.637 4.977 4.340 0.000 0.000 0.291 620 R C -2.034 174.299 176.300 0.055 0.000 1.097 620 R CA -0.347 55.772 56.100 0.031 0.000 0.940 620 R CB 1.343 31.740 30.300 0.161 0.000 1.198 620 R HN 1.034 nan 8.270 nan 0.000 0.429 621 A N 4.652 127.413 122.820 -0.099 0.000 2.353 621 A HA 0.657 4.977 4.320 0.000 0.000 0.299 621 A C -1.680 175.909 177.584 0.009 0.000 1.089 621 A CA -0.631 51.414 52.037 0.014 0.000 0.736 621 A CB 0.654 19.643 19.000 -0.019 0.000 1.195 621 A HN 0.663 nan 8.150 nan 0.000 0.447 622 W N 0.726 122.157 121.300 0.218 0.000 2.516 622 W HA 0.671 5.332 4.660 0.000 0.000 0.343 622 W C 0.521 177.137 176.519 0.162 0.000 1.094 622 W CA 0.084 57.580 57.345 0.251 0.000 1.250 622 W CB 1.342 30.935 29.460 0.223 0.000 1.308 622 W HN 0.758 nan 8.180 nan 0.000 0.588 623 E N 1.017 121.476 120.200 0.432 0.000 2.363 623 E HA 0.516 4.866 4.350 0.000 0.000 0.281 623 E C -2.202 174.546 176.600 0.245 0.000 0.953 623 E CA -0.768 55.808 56.400 0.293 0.000 0.778 623 E CB 2.496 32.337 29.700 0.235 0.000 1.220 623 E HN 0.268 nan 8.360 nan 0.000 0.431 624 V N 3.041 123.039 119.914 0.141 0.000 2.711 624 V HA 0.930 5.050 4.120 0.000 0.000 0.304 624 V C -0.678 175.300 176.094 -0.194 0.000 1.097 624 V CA 0.557 62.834 62.300 -0.038 0.000 0.906 624 V CB 1.378 33.246 31.823 0.075 0.000 1.015 624 V HN 0.796 nan 8.190 nan 0.000 0.427 625 G N 4.782 113.196 108.800 -0.644 0.000 2.706 625 G HA2 0.846 4.806 3.960 0.000 0.000 0.307 625 G HA3 0.846 4.806 3.960 0.000 0.000 0.307 625 G C -1.468 173.209 174.900 -0.371 0.000 1.307 625 G CA -0.083 44.713 45.100 -0.507 0.000 0.790 625 G HN 1.664 nan 8.290 nan 0.000 0.503 626 F N -0.833 119.113 119.950 -0.006 0.000 2.693 626 F HA 0.716 5.243 4.527 0.000 0.000 0.309 626 F C -1.127 174.839 175.800 0.278 0.000 1.129 626 F CA -1.368 56.760 58.000 0.214 0.000 0.948 626 F CB 1.462 40.536 39.000 0.123 0.000 1.315 626 F HN 0.690 nan 8.300 nan 0.000 0.447 627 N N 0.768 119.736 118.700 0.447 0.000 2.242 627 N HA 0.676 5.416 4.740 0.000 0.000 0.292 627 N C -2.205 173.454 175.510 0.248 0.000 1.125 627 N CA -0.977 52.242 53.050 0.283 0.000 0.783 627 N CB 3.001 41.614 38.487 0.209 0.000 1.558 627 N HN 0.509 nan 8.380 nan 0.000 0.472 628 V N 0.950 120.940 119.914 0.127 0.000 2.417 628 V HA 0.313 4.433 4.120 0.000 0.000 0.291 628 V C -0.485 175.500 176.094 -0.181 0.000 1.024 628 V CA -0.480 61.755 62.300 -0.108 0.000 0.861 628 V CB 1.255 32.953 31.823 -0.208 0.000 0.985 628 V HN 0.704 nan 8.190 nan 0.000 0.436 629 Q N 3.587 123.256 119.800 -0.217 0.000 2.616 629 Q HA 0.431 4.771 4.340 0.000 0.000 0.250 629 Q C -1.083 174.795 176.000 -0.203 0.000 0.991 629 Q CA -0.445 55.248 55.803 -0.185 0.000 0.707 629 Q CB 2.025 30.714 28.738 -0.081 0.000 1.247 629 Q HN 0.650 nan 8.270 nan 0.000 0.491 630 Q N 2.904 122.551 119.800 -0.255 0.000 2.401 630 Q HA 0.392 4.732 4.340 0.000 0.000 0.260 630 Q C -2.702 173.268 176.000 -0.050 0.000 1.034 630 Q CA -2.065 53.639 55.803 -0.164 0.000 0.737 630 Q CB 1.377 29.930 28.738 -0.308 0.000 1.227 630 Q HN 0.205 nan 8.270 nan 0.000 0.488 631 P HA 0.168 nan 4.420 nan 0.000 0.272 631 P C -1.016 176.318 177.300 0.057 0.000 1.230 631 P CA 0.020 63.133 63.100 0.020 0.000 0.788 631 P CB 0.518 32.226 31.700 0.014 0.000 0.949 632 D N -0.175 120.275 120.400 0.083 0.000 2.956 632 D HA -0.153 4.487 4.640 0.000 0.000 0.240 632 D C 0.269 176.621 176.300 0.088 0.000 1.141 632 D CA 0.516 54.576 54.000 0.101 0.000 0.820 632 D CB -0.857 39.984 40.800 0.068 0.000 0.988 632 D HN 0.209 nan 8.370 nan 0.000 0.417 633 L N -1.138 120.165 121.223 0.132 0.000 2.356 633 L HA 0.262 4.602 4.340 0.000 0.000 0.193 633 L C 1.705 178.446 176.870 -0.214 0.000 1.087 633 L CA 1.157 55.980 54.840 -0.027 0.000 0.817 633 L CB -0.134 41.931 42.059 0.011 0.000 1.035 633 L HN 0.314 nan 8.230 nan 0.000 0.482 634 W N -1.782 119.590 121.300 0.120 0.000 2.699 634 W HA 0.296 4.956 4.660 0.000 0.000 0.265 634 W C 0.353 176.628 176.519 -0.408 0.000 1.210 634 W CA -0.256 56.997 57.345 -0.154 0.000 1.414 634 W CB 0.096 29.479 29.460 -0.128 0.000 1.043 634 W HN -0.132 nan 8.180 nan 0.000 0.599 635 F N -0.083 120.099 119.950 0.386 0.000 2.679 635 F HA 0.290 4.817 4.527 0.000 0.000 0.341 635 F C 0.181 176.075 175.800 0.157 0.000 1.095 635 F CA -1.618 56.525 58.000 0.238 0.000 1.004 635 F CB 0.596 39.735 39.000 0.231 0.000 1.388 635 F HN -0.442 nan 8.300 nan 0.000 0.505 636 E N 0.218 120.618 120.200 0.334 0.000 2.223 636 E HA 0.422 4.772 4.350 0.000 0.000 0.282 636 E C 0.613 177.304 176.600 0.152 0.000 1.046 636 E CA 0.643 57.155 56.400 0.187 0.000 0.857 636 E CB 0.494 30.278 29.700 0.141 0.000 1.055 636 E HN 0.824 nan 8.360 nan 0.000 0.409 637 G N 4.314 113.180 108.800 0.111 0.000 2.194 637 G HA2 -0.260 3.700 3.960 0.000 0.000 0.236 637 G HA3 -0.260 3.700 3.960 0.000 0.000 0.236 637 G C 0.107 175.037 174.900 0.050 0.000 0.987 637 G CA 0.225 45.365 45.100 0.066 0.000 0.635 637 G HN 0.756 nan 8.290 nan 0.000 0.520 638 D N 0.159 120.617 120.400 0.097 0.000 2.414 638 D HA 0.658 5.298 4.640 0.000 0.000 0.259 638 D C 0.546 176.857 176.300 0.017 0.000 1.269 638 D CA 0.236 54.258 54.000 0.038 0.000 1.028 638 D CB 0.622 41.509 40.800 0.145 0.000 1.093 638 D HN 0.961 nan 8.370 nan 0.000 0.545 639 R N -1.265 119.196 120.500 -0.064 0.000 2.604 639 R HA 0.537 4.877 4.340 0.000 0.000 0.261 639 R C -1.833 174.476 176.300 0.015 0.000 1.080 639 R CA -0.947 55.140 56.100 -0.021 0.000 0.917 639 R CB 0.593 30.851 30.300 -0.071 0.000 1.252 639 R HN 0.444 nan 8.270 nan 0.000 0.456 640 L N 3.264 124.540 121.223 0.088 0.000 2.346 640 L HA 0.853 5.193 4.340 0.000 0.000 0.276 640 L C -1.283 175.526 176.870 -0.102 0.000 1.006 640 L CA -0.987 53.936 54.840 0.138 0.000 0.817 640 L CB 1.974 44.165 42.059 0.219 0.000 1.272 640 L HN 0.682 nan 8.230 nan 0.000 0.421 641 V N 4.151 123.959 119.914 -0.176 0.000 2.851 641 V HA 0.922 5.042 4.120 0.000 0.000 0.307 641 V C -0.964 174.910 176.094 -0.366 0.000 1.129 641 V CA -0.034 62.012 62.300 -0.423 0.000 0.932 641 V CB 1.977 33.342 31.823 -0.762 0.000 1.024 641 V HN 1.113 nan 8.190 nan 0.000 0.426 642 A N 5.263 127.955 122.820 -0.213 0.000 2.609 642 A HA 0.946 5.266 4.320 0.000 0.000 0.291 642 A C -1.238 176.486 177.584 0.234 0.000 1.096 642 A CA -0.742 51.336 52.037 0.067 0.000 0.684 642 A CB 2.235 21.295 19.000 0.100 0.000 1.282 642 A HN 0.831 nan 8.150 nan 0.000 0.412 643 K N 0.993 121.500 120.400 0.177 0.000 2.619 643 K HA 0.572 4.892 4.320 0.000 0.000 0.251 643 K C -2.120 174.382 176.600 -0.163 0.000 0.987 643 K CA -0.336 55.958 56.287 0.010 0.000 0.844 643 K CB 1.891 34.402 32.500 0.019 0.000 1.237 643 K HN 0.570 nan 8.250 nan 0.000 0.447 644 V N 2.599 122.213 119.914 -0.499 0.000 2.487 644 V HA 0.843 4.963 4.120 0.000 0.000 0.298 644 V C -0.509 175.330 176.094 -0.426 0.000 1.028 644 V CA -0.692 61.297 62.300 -0.519 0.000 0.860 644 V CB 1.322 32.768 31.823 -0.627 0.000 0.991 644 V HN 0.896 nan 8.190 nan 0.000 0.427 645 A N 3.897 126.576 122.820 -0.235 0.000 2.527 645 A HA 0.887 5.207 4.320 0.000 0.000 0.293 645 A C -1.899 175.700 177.584 0.026 0.000 1.117 645 A CA -0.655 51.337 52.037 -0.076 0.000 0.723 645 A CB 1.856 20.887 19.000 0.052 0.000 1.313 645 A HN 0.973 nan 8.150 nan 0.000 0.411 646 Y N 1.287 121.558 120.300 -0.047 0.000 2.361 646 Y HA 0.638 5.188 4.550 0.000 0.000 0.337 646 Y C -1.137 174.789 175.900 0.044 0.000 0.965 646 Y CA -1.167 56.890 58.100 -0.073 0.000 1.091 646 Y CB 1.210 39.610 38.460 -0.100 0.000 1.182 646 Y HN 0.749 nan 8.280 nan 0.000 0.450 647 F N 2.717 122.321 119.950 -0.576 0.000 2.556 647 F HA 0.751 5.278 4.527 0.000 0.000 0.327 647 F C -1.226 174.250 175.800 -0.540 0.000 1.059 647 F CA -1.191 56.583 58.000 -0.376 0.000 0.953 647 F CB 1.726 40.614 39.000 -0.186 0.000 1.227 647 F HN 0.358 nan 8.300 nan 0.000 0.478 648 D N 0.878 121.269 120.400 -0.015 0.000 2.351 648 D HA 0.210 4.851 4.640 0.000 0.000 0.235 648 D C -1.587 174.835 176.300 0.203 0.000 1.331 648 D CA -0.092 53.920 54.000 0.020 0.000 0.959 648 D CB 1.404 42.223 40.800 0.032 0.000 1.432 648 D HN 0.649 nan 8.370 nan 0.000 0.544 649 T N 3.220 117.918 114.554 0.240 0.000 2.756 649 T HA 0.336 4.686 4.350 0.000 0.000 0.290 649 T C -0.026 174.819 174.700 0.242 0.000 0.985 649 T CA -0.564 61.669 62.100 0.222 0.000 0.955 649 T CB 1.250 70.225 68.868 0.179 0.000 0.930 649 T HN 0.169 nan 8.240 nan 0.000 0.451 650 K N 3.440 123.957 120.400 0.194 0.000 2.213 650 K HA 0.618 4.938 4.320 0.000 0.000 0.270 650 K C -1.216 175.483 176.600 0.165 0.000 1.002 650 K CA -0.583 55.799 56.287 0.157 0.000 0.868 650 K CB 0.784 33.370 32.500 0.143 0.000 1.093 650 K HN 0.338 nan 8.250 nan 0.000 0.454 651 V N 3.753 123.768 119.914 0.168 0.000 2.656 651 V HA 0.289 4.409 4.120 0.000 0.000 0.307 651 V C -1.002 175.201 176.094 0.182 0.000 1.051 651 V CA -0.969 61.455 62.300 0.206 0.000 0.893 651 V CB 1.833 33.855 31.823 0.333 0.000 0.999 651 V HN 0.976 nan 8.190 nan 0.000 0.426 652 D N 2.262 122.767 120.400 0.176 0.000 2.340 652 D HA 0.515 5.155 4.640 0.000 0.000 0.240 652 D C 0.069 176.468 176.300 0.166 0.000 1.001 652 D CA -0.878 53.214 54.000 0.154 0.000 0.888 652 D CB 1.091 41.960 40.800 0.115 0.000 1.310 652 D HN 0.340 nan 8.370 nan 0.000 0.474 653 N N -1.417 117.376 118.700 0.154 0.000 2.967 653 N HA -0.224 4.516 4.740 0.000 0.000 0.241 653 N C -1.007 174.600 175.510 0.162 0.000 0.983 653 N CA 0.195 53.322 53.050 0.129 0.000 0.918 653 N CB -2.300 36.238 38.487 0.085 0.000 1.109 653 N HN 0.621 nan 8.380 nan 0.000 0.567 654 Y N 2.731 123.088 120.300 0.095 0.000 2.857 654 Y HA -0.055 4.495 4.550 0.000 0.000 0.373 654 Y C 1.458 177.438 175.900 0.133 0.000 1.346 654 Y CA -0.198 57.969 58.100 0.112 0.000 1.736 654 Y CB 0.130 38.681 38.460 0.150 0.000 1.236 654 Y HN 0.136 nan 8.280 nan 0.000 0.507 655 I N 4.831 125.339 120.570 -0.103 0.000 2.618 655 I HA 0.178 4.349 4.170 0.000 0.000 0.284 655 I C -0.938 175.187 176.117 0.014 0.000 1.146 655 I CA 0.066 61.357 61.300 -0.016 0.000 1.425 655 I CB 0.536 38.475 38.000 -0.102 0.000 1.383 655 I HN 0.582 nan 8.210 nan 0.000 0.562 656 N N 6.280 125.045 118.700 0.109 0.000 2.262 656 N HA 0.394 5.134 4.740 0.000 0.000 0.295 656 N C -1.027 174.444 175.510 -0.065 0.000 1.161 656 N CA -0.654 52.378 53.050 -0.030 0.000 0.767 656 N CB 2.855 41.094 38.487 -0.412 0.000 1.499 656 N HN 0.718 nan 8.380 nan 0.000 0.476 657 L N 1.906 122.995 121.223 -0.224 0.000 2.433 657 L HA 0.388 4.728 4.340 0.000 0.000 0.284 657 L C -0.190 176.507 176.870 -0.289 0.000 1.120 657 L CA -0.240 54.250 54.840 -0.582 0.000 0.879 657 L CB -0.117 41.545 42.059 -0.662 0.000 1.232 657 L HN 0.564 nan 8.230 nan 0.000 0.454 658 A N 6.632 129.301 122.820 -0.252 0.000 2.317 658 A HA 0.608 4.928 4.320 0.000 0.000 0.327 658 A C -0.077 177.387 177.584 -0.201 0.000 1.178 658 A CA -0.794 51.169 52.037 -0.124 0.000 0.817 658 A CB 0.881 19.940 19.000 0.099 0.000 1.189 658 A HN 0.793 nan 8.150 nan 0.000 0.489 659 I N -1.153 119.305 120.570 -0.185 0.000 3.640 659 I HA 0.606 4.776 4.170 0.000 0.000 0.288 659 I C 0.513 176.553 176.117 -0.129 0.000 1.248 659 I CA -0.223 60.932 61.300 -0.241 0.000 0.911 659 I CB 0.329 38.116 38.000 -0.355 0.000 1.533 659 I HN 0.648 nan 8.210 nan 0.000 0.686 660 D N 0.472 120.809 120.400 -0.104 0.000 2.772 660 D HA -0.156 4.484 4.640 0.000 0.000 0.233 660 D C -0.479 175.819 176.300 -0.003 0.000 1.143 660 D CA 0.631 54.610 54.000 -0.034 0.000 0.700 660 D CB -0.367 40.425 40.800 -0.013 0.000 1.076 660 D HN 0.494 nan 8.370 nan 0.000 0.430 661 R N 0.607 121.080 120.500 -0.045 0.000 2.500 661 R HA 0.572 4.912 4.340 0.000 0.000 0.277 661 R C 0.369 176.761 176.300 0.153 0.000 1.026 661 R CA -0.589 55.503 56.100 -0.014 0.000 1.058 661 R CB 0.766 30.822 30.300 -0.406 0.000 1.078 661 R HN 0.370 nan 8.270 nan 0.000 0.509 662 N N 0.654 119.553 118.700 0.332 0.000 2.448 662 N HA 0.184 4.924 4.740 0.000 0.000 0.279 662 N C -0.796 174.840 175.510 0.210 0.000 1.025 662 N CA -0.841 52.353 53.050 0.239 0.000 0.898 662 N CB 1.158 39.710 38.487 0.109 0.000 1.303 662 N HN 0.290 nan 8.380 nan 0.000 0.495 663 K N 1.232 121.654 120.400 0.036 0.000 2.234 663 K HA 0.261 4.581 4.320 0.000 0.000 0.251 663 K C -2.275 174.112 176.600 -0.355 0.000 1.011 663 K CA -1.154 54.925 56.287 -0.346 0.000 0.889 663 K CB -0.410 31.885 32.500 -0.341 0.000 1.011 663 K HN 0.294 nan 8.250 nan 0.000 0.505 664 P HA 0.049 nan 4.420 nan 0.000 0.272 664 P C 0.259 177.331 177.300 -0.380 0.000 1.254 664 P CA 0.474 63.207 63.100 -0.612 0.000 0.795 664 P CB 0.329 31.370 31.700 -1.097 0.000 1.022 665 G N -1.532 107.136 108.800 -0.219 0.000 2.472 665 G HA2 -0.138 3.823 3.960 0.000 0.000 0.205 665 G HA3 -0.138 3.823 3.960 0.000 0.000 0.205 665 G C -0.918 173.978 174.900 -0.006 0.000 1.270 665 G CA -0.692 44.468 45.100 0.100 0.000 0.974 665 G HN 0.538 nan 8.290 nan 0.000 0.542 666 L N 0.015 121.239 121.223 0.001 0.000 2.476 666 L HA 0.404 4.744 4.340 0.000 0.000 0.264 666 L C 1.371 178.234 176.870 -0.010 0.000 1.224 666 L CA -0.817 53.986 54.840 -0.060 0.000 0.821 666 L CB 0.368 42.394 42.059 -0.056 0.000 1.101 666 L HN 0.451 nan 8.230 nan 0.000 0.488 667 V N 1.791 121.707 119.914 0.003 0.000 2.458 667 V HA -0.025 4.095 4.120 0.000 0.000 0.287 667 V C 0.320 176.438 176.094 0.040 0.000 1.009 667 V CA 0.487 62.801 62.300 0.022 0.000 1.091 667 V CB 0.255 32.102 31.823 0.040 0.000 0.960 667 V HN 0.767 nan 8.190 nan 0.000 0.476 668 Q N 5.976 125.794 119.800 0.030 0.000 3.550 668 Q HA 0.328 4.668 4.340 0.000 0.000 0.206 668 Q C -2.659 173.363 176.000 0.037 0.000 0.891 668 Q CA -1.385 54.441 55.803 0.039 0.000 0.737 668 Q CB 1.631 30.397 28.738 0.046 0.000 1.417 668 Q HN 0.596 nan 8.270 nan 0.000 0.460 669 P HA 0.069 nan 4.420 nan 0.000 0.264 669 P C -1.122 176.200 177.300 0.037 0.000 1.193 669 P CA 0.200 63.319 63.100 0.031 0.000 0.763 669 P CB 1.021 32.734 31.700 0.023 0.000 0.810 670 S N 2.819 118.544 115.700 0.041 0.000 2.614 670 S HA 0.227 4.697 4.470 0.000 0.000 0.259 670 S C 0.938 175.555 174.600 0.028 0.000 1.118 670 S CA -0.578 57.647 58.200 0.042 0.000 1.065 670 S CB 0.030 63.270 63.200 0.066 0.000 1.121 670 S HN 0.157 nan 8.310 nan 0.000 0.458 671 I N 3.608 124.183 120.570 0.009 0.000 2.286 671 I HA -0.035 4.135 4.170 0.000 0.000 0.248 671 I C 2.516 178.602 176.117 -0.053 0.000 1.115 671 I CA 1.866 63.154 61.300 -0.019 0.000 1.392 671 I CB -1.553 36.435 38.000 -0.020 0.000 1.065 671 I HN 0.784 nan 8.210 nan 0.000 0.418 672 G N 1.105 109.883 108.800 -0.037 0.000 2.586 672 G HA2 -0.184 3.776 3.960 0.000 0.000 0.215 672 G HA3 -0.184 3.776 3.960 0.000 0.000 0.215 672 G C 0.713 175.581 174.900 -0.053 0.000 1.128 672 G CA 0.046 45.103 45.100 -0.072 0.000 0.774 672 G HN 0.337 nan 8.290 nan 0.000 0.543 673 N N 1.382 120.095 118.700 0.022 0.000 2.406 673 N HA 0.474 5.214 4.740 0.000 0.000 0.265 673 N C -0.093 175.389 175.510 -0.047 0.000 1.203 673 N CA 0.250 53.370 53.050 0.117 0.000 0.945 673 N CB 1.175 39.745 38.487 0.137 0.000 1.165 673 N HN 0.278 nan 8.380 nan 0.000 0.485 674 A N 1.171 123.949 122.820 -0.070 0.000 2.374 674 A HA 0.948 5.268 4.320 0.000 0.000 0.317 674 A C -0.819 176.595 177.584 -0.283 0.000 1.094 674 A CA -0.591 51.296 52.037 -0.249 0.000 0.765 674 A CB 1.468 20.274 19.000 -0.322 0.000 1.268 674 A HN 0.626 nan 8.150 nan 0.000 0.438 675 A N 0.342 122.888 122.820 -0.456 0.000 2.608 675 A HA 0.646 4.966 4.320 0.000 0.000 0.292 675 A C -1.730 175.610 177.584 -0.406 0.000 1.066 675 A CA -0.586 51.181 52.037 -0.450 0.000 0.676 675 A CB 0.443 18.953 19.000 -0.815 0.000 1.277 675 A HN 0.825 nan 8.150 nan 0.000 0.413 676 Y N 0.526 120.717 120.300 -0.181 0.000 2.377 676 Y HA 0.442 4.992 4.550 0.000 0.000 0.330 676 Y C 0.792 176.635 175.900 -0.096 0.000 1.108 676 Y CA 0.397 58.427 58.100 -0.117 0.000 1.308 676 Y CB 1.250 39.643 38.460 -0.113 0.000 1.216 676 Y HN 0.721 nan 8.280 nan 0.000 0.518 677 V N -0.142 119.844 119.914 0.119 0.000 3.007 677 V HA 0.517 4.637 4.120 0.000 0.000 0.311 677 V C -0.833 175.366 176.094 0.176 0.000 1.120 677 V CA -1.669 60.707 62.300 0.127 0.000 0.980 677 V CB 1.965 33.850 31.823 0.103 0.000 1.033 677 V HN 0.715 nan 8.190 nan 0.000 0.429 678 N N 2.758 121.535 118.700 0.128 0.000 2.475 678 N HA 0.203 4.943 4.740 0.000 0.000 0.267 678 N C -0.218 175.364 175.510 0.120 0.000 1.169 678 N CA -0.214 52.908 53.050 0.120 0.000 0.947 678 N CB 0.312 38.845 38.487 0.078 0.000 1.061 678 N HN 0.821 nan 8.380 nan 0.000 0.466 679 N N 2.579 121.400 118.700 0.200 0.000 2.468 679 N HA 0.002 4.742 4.740 0.000 0.000 0.265 679 N C 0.583 176.103 175.510 0.016 0.000 1.199 679 N CA 0.194 53.305 53.050 0.102 0.000 0.928 679 N CB 0.571 39.244 38.487 0.310 0.000 1.059 679 N HN 0.495 nan 8.380 nan 0.000 0.467 680 L N 0.910 122.079 121.223 -0.089 0.000 2.395 680 L HA 0.049 4.389 4.340 0.000 0.000 0.218 680 L C 0.910 177.759 176.870 -0.036 0.000 1.130 680 L CA 0.400 55.204 54.840 -0.060 0.000 0.826 680 L CB -0.260 41.737 42.059 -0.103 0.000 0.941 680 L HN 0.353 nan 8.230 nan 0.000 0.451 681 S N -0.672 115.004 115.700 -0.040 0.000 2.693 681 S HA 0.308 4.778 4.470 0.000 0.000 0.276 681 S C 0.122 174.732 174.600 0.017 0.000 1.192 681 S CA -0.746 57.443 58.200 -0.019 0.000 0.994 681 S CB 1.124 64.303 63.200 -0.035 0.000 1.012 681 S HN -0.010 nan 8.310 nan 0.000 0.550 682 K N 2.329 122.732 120.400 0.006 0.000 2.276 682 K HA 0.260 4.580 4.320 0.000 0.000 0.283 682 K C -0.475 176.099 176.600 -0.044 0.000 1.044 682 K CA 0.024 56.316 56.287 0.008 0.000 0.944 682 K CB 0.654 33.159 32.500 0.009 0.000 1.012 682 K HN 0.475 nan 8.250 nan 0.000 0.472 683 T N 4.849 119.366 114.554 -0.061 0.000 2.832 683 T HA 0.240 4.590 4.350 0.000 0.000 0.313 683 T C 0.302 174.796 174.700 -0.343 0.000 1.035 683 T CA -0.700 61.242 62.100 -0.263 0.000 0.950 683 T CB 0.187 68.826 68.868 -0.381 0.000 0.984 683 T HN 0.429 nan 8.240 nan 0.000 0.486 684 R N 2.135 122.375 120.500 -0.433 0.000 2.589 684 R HA 0.685 5.025 4.340 0.000 0.000 0.293 684 R C -1.537 174.417 176.300 -0.577 0.000 0.963 684 R CA -0.847 55.058 56.100 -0.325 0.000 0.905 684 R CB 1.173 31.413 30.300 -0.100 0.000 1.144 684 R HN 0.313 nan 8.270 nan 0.000 0.459 685 F N 2.646 122.581 119.950 -0.026 0.000 2.460 685 F HA 0.509 5.036 4.527 0.000 0.000 0.341 685 F C 0.172 176.033 175.800 0.102 0.000 1.130 685 F CA -0.817 57.197 58.000 0.024 0.000 0.962 685 F CB 1.676 40.686 39.000 0.017 0.000 1.171 685 F HN 0.526 nan 8.300 nan 0.000 0.436 686 R N 1.814 122.358 120.500 0.073 0.000 2.774 686 R HA 0.997 5.337 4.340 0.000 0.000 0.272 686 R C -0.795 175.066 176.300 -0.732 0.000 1.000 686 R CA -1.373 54.471 56.100 -0.427 0.000 0.906 686 R CB 2.348 32.457 30.300 -0.317 0.000 1.227 686 R HN 0.797 nan 8.270 nan 0.000 0.468 687 G N 0.772 108.643 108.800 -1.547 0.000 2.320 687 G HA2 0.350 4.310 3.960 0.000 0.000 0.296 687 G HA3 0.350 4.310 3.960 0.000 0.000 0.296 687 G C -1.919 172.573 174.900 -0.681 0.000 1.306 687 G CA -1.067 43.543 45.100 -0.817 0.000 0.836 687 G HN 0.378 nan 8.290 nan 0.000 0.517 688 L N -0.013 121.186 121.223 -0.040 0.000 2.342 688 L HA 0.695 5.035 4.340 0.000 0.000 0.271 688 L C -0.322 176.563 176.870 0.025 0.000 1.008 688 L CA -0.764 54.072 54.840 -0.007 0.000 0.818 688 L CB 2.304 44.354 42.059 -0.016 0.000 1.296 688 L HN 0.568 nan 8.230 nan 0.000 0.427 689 E N 1.760 121.873 120.200 -0.146 0.000 2.241 689 E HA 0.398 4.748 4.350 0.000 0.000 0.263 689 E C -1.826 174.604 176.600 -0.284 0.000 0.882 689 E CA -0.551 55.797 56.400 -0.087 0.000 0.769 689 E CB 2.000 31.707 29.700 0.011 0.000 1.185 689 E HN 0.306 nan 8.360 nan 0.000 0.415 690 Y N 1.551 121.931 120.300 0.134 0.000 2.409 690 Y HA 0.361 4.911 4.550 0.000 0.000 0.339 690 Y C 0.087 176.047 175.900 0.099 0.000 1.033 690 Y CA -0.841 57.328 58.100 0.114 0.000 1.094 690 Y CB 1.639 40.201 38.460 0.170 0.000 1.210 690 Y HN 0.298 nan 8.280 nan 0.000 0.456 691 Q N 3.750 123.684 119.800 0.223 0.000 2.281 691 Q HA 0.627 4.967 4.340 0.000 0.000 0.263 691 Q C -1.997 174.125 176.000 0.204 0.000 0.989 691 Q CA -0.874 55.039 55.803 0.183 0.000 0.852 691 Q CB 2.809 31.612 28.738 0.108 0.000 1.337 691 Q HN 0.788 nan 8.270 nan 0.000 0.418 692 L N 2.566 123.894 121.223 0.176 0.000 2.476 692 L HA 0.545 4.885 4.340 0.000 0.000 0.269 692 L C -1.767 175.166 176.870 0.105 0.000 0.965 692 L CA -0.288 54.632 54.840 0.133 0.000 0.845 692 L CB 1.898 44.042 42.059 0.143 0.000 1.259 692 L HN 0.853 nan 8.230 nan 0.000 0.403 693 N N 3.654 122.371 118.700 0.029 0.000 2.479 693 N HA 0.247 4.987 4.740 0.000 0.000 0.261 693 N C -1.928 173.620 175.510 0.064 0.000 0.979 693 N CA -0.489 52.582 53.050 0.034 0.000 0.930 693 N CB 1.144 39.617 38.487 -0.023 0.000 1.172 693 N HN 0.588 nan 8.380 nan 0.000 0.499 694 Y N 3.231 123.544 120.300 0.021 0.000 2.331 694 Y HA 0.331 4.881 4.550 0.000 0.000 0.338 694 Y C -1.093 174.848 175.900 0.069 0.000 0.976 694 Y CA -0.605 57.530 58.100 0.059 0.000 1.137 694 Y CB 0.920 39.455 38.460 0.124 0.000 1.172 694 Y HN 0.441 nan 8.280 nan 0.000 0.478 695 D N 4.425 124.518 120.400 -0.512 0.000 2.502 695 D HA 0.562 5.202 4.640 0.000 0.000 0.249 695 D C -0.689 175.293 176.300 -0.530 0.000 1.092 695 D CA -0.280 53.482 54.000 -0.397 0.000 0.839 695 D CB 1.823 42.479 40.800 -0.240 0.000 1.264 695 D HN 0.654 nan 8.370 nan 0.000 0.511 696 A N 2.373 124.989 122.820 -0.339 0.000 2.606 696 A HA 0.595 4.915 4.320 0.000 0.000 0.290 696 A C 1.407 178.958 177.584 -0.055 0.000 1.174 696 A CA 0.563 52.499 52.037 -0.168 0.000 0.958 696 A CB -0.152 18.848 19.000 0.001 0.000 1.194 696 A HN 0.876 nan 8.150 nan 0.000 0.526 697 G N -0.551 108.220 108.800 -0.049 0.000 4.236 697 G HA2 -0.402 3.558 3.960 0.000 0.000 0.222 697 G HA3 -0.402 3.558 3.960 0.000 0.000 0.222 697 G C 1.358 176.283 174.900 0.043 0.000 1.354 697 G CA 1.052 46.144 45.100 -0.015 0.000 0.966 697 G HN 0.827 nan 8.290 nan 0.000 0.624 698 V N 0.013 119.947 119.914 0.033 0.000 2.488 698 V HA 0.429 4.549 4.120 0.000 0.000 0.246 698 V C 1.043 177.236 176.094 0.166 0.000 1.046 698 V CA 1.985 64.321 62.300 0.061 0.000 1.053 698 V CB -0.180 31.635 31.823 -0.014 0.000 0.679 698 V HN 0.582 nan 8.190 nan 0.000 0.458 699 F N 1.512 121.461 119.950 -0.002 0.000 2.539 699 F HA 0.642 5.169 4.527 0.000 0.000 0.318 699 F C -0.819 175.045 175.800 0.106 0.000 1.135 699 F CA -1.522 56.485 58.000 0.012 0.000 0.915 699 F CB 1.602 40.582 39.000 -0.033 0.000 1.176 699 F HN 0.174 nan 8.300 nan 0.000 0.440 700 Y N 3.417 123.286 120.300 -0.719 0.000 2.576 700 Y HA 0.943 5.493 4.550 0.000 0.000 0.346 700 Y C -1.582 173.927 175.900 -0.652 0.000 1.018 700 Y CA -1.474 56.287 58.100 -0.564 0.000 1.050 700 Y CB 1.520 39.812 38.460 -0.281 0.000 1.280 700 Y HN 0.800 nan 8.280 nan 0.000 0.474 701 A N 2.163 124.862 122.820 -0.201 0.000 2.488 701 A HA 0.557 4.877 4.320 0.000 0.000 0.298 701 A C -2.145 175.494 177.584 0.092 0.000 1.044 701 A CA -0.535 51.425 52.037 -0.128 0.000 0.693 701 A CB 1.637 20.571 19.000 -0.110 0.000 1.272 701 A HN 0.826 nan 8.150 nan 0.000 0.402 702 D N 0.890 121.353 120.400 0.105 0.000 2.342 702 D HA 0.674 5.314 4.640 0.000 0.000 0.243 702 D C -1.271 175.098 176.300 0.116 0.000 1.019 702 D CA -0.166 53.906 54.000 0.119 0.000 0.864 702 D CB 1.536 42.406 40.800 0.116 0.000 1.315 702 D HN 0.500 nan 8.370 nan 0.000 0.468 703 L N 2.782 124.081 121.223 0.127 0.000 2.482 703 L HA 0.550 4.890 4.340 0.000 0.000 0.269 703 L C -1.236 175.734 176.870 0.166 0.000 0.967 703 L CA -0.203 54.728 54.840 0.152 0.000 0.851 703 L CB 1.705 43.848 42.059 0.140 0.000 1.242 703 L HN 0.621 nan 8.230 nan 0.000 0.404 704 T N 0.906 115.562 114.554 0.169 0.000 2.886 704 T HA 0.604 4.954 4.350 0.000 0.000 0.292 704 T C -1.267 173.560 174.700 0.212 0.000 1.012 704 T CA -0.599 61.597 62.100 0.159 0.000 0.982 704 T CB 1.688 70.588 68.868 0.054 0.000 1.018 704 T HN 0.497 nan 8.240 nan 0.000 0.451 705 Y N 1.523 121.895 120.300 0.119 0.000 2.482 705 Y HA 0.594 5.145 4.550 0.000 0.000 0.334 705 Y C -0.860 175.169 175.900 0.215 0.000 1.091 705 Y CA -0.523 57.648 58.100 0.119 0.000 1.027 705 Y CB 2.357 40.938 38.460 0.202 0.000 1.306 705 Y HN 1.048 nan 8.280 nan 0.000 0.446 706 T N 3.666 117.946 114.554 -0.456 0.000 2.848 706 T HA 0.372 4.722 4.350 0.000 0.000 0.285 706 T C -2.027 172.522 174.700 -0.251 0.000 0.995 706 T CA -0.409 61.587 62.100 -0.172 0.000 0.970 706 T CB 0.568 69.380 68.868 -0.093 0.000 0.976 706 T HN 0.822 nan 8.240 nan 0.000 0.441 707 H N 5.204 124.287 119.070 0.022 0.000 2.511 707 H HA 0.613 5.169 4.556 0.000 0.000 0.328 707 H C -0.297 175.058 175.328 0.045 0.000 1.044 707 H CA -0.929 55.172 56.048 0.089 0.000 1.212 707 H CB 0.790 30.742 29.762 0.316 0.000 1.428 707 H HN 0.458 nan 8.280 nan 0.000 0.483 708 M N 5.771 125.129 119.600 -0.404 0.000 2.363 708 M HA 0.369 4.849 4.480 0.000 0.000 0.343 708 M C -0.722 175.386 176.300 -0.321 0.000 1.165 708 M CA -0.504 54.633 55.300 -0.272 0.000 1.046 708 M CB 1.528 33.956 32.600 -0.288 0.000 1.648 708 M HN 0.600 nan 8.290 nan 0.000 0.452 709 I N 0.980 121.461 120.570 -0.149 0.000 2.582 709 I HA 0.774 4.944 4.170 0.000 0.000 0.292 709 I C 0.281 176.352 176.117 -0.075 0.000 1.066 709 I CA -0.489 60.771 61.300 -0.066 0.000 1.053 709 I CB 2.242 40.268 38.000 0.044 0.000 1.241 709 I HN 0.840 nan 8.210 nan 0.000 0.421 710 G N 4.661 113.432 108.800 -0.049 0.000 2.587 710 G HA2 -0.060 3.900 3.960 0.000 0.000 0.686 710 G HA3 -0.060 3.900 3.960 0.000 0.000 0.686 710 G C -1.110 173.765 174.900 -0.042 0.000 1.236 710 G CA -0.962 44.108 45.100 -0.050 0.000 0.820 710 G HN 0.669 nan 8.290 nan 0.000 0.645 711 K N 1.002 121.389 120.400 -0.021 0.000 3.050 711 K HA 0.148 4.468 4.320 0.000 0.000 0.185 711 K C 0.499 177.086 176.600 -0.022 0.000 1.147 711 K CA -0.474 55.826 56.287 0.023 0.000 0.916 711 K CB 0.594 33.156 32.500 0.103 0.000 1.119 711 K HN 0.839 nan 8.250 nan 0.000 0.605 712 N N 1.201 119.844 118.700 -0.095 0.000 2.399 712 N HA 0.098 4.838 4.740 0.000 0.000 0.250 712 N C -0.534 174.937 175.510 -0.066 0.000 1.272 712 N CA -0.612 52.374 53.050 -0.106 0.000 0.928 712 N CB 0.904 39.270 38.487 -0.201 0.000 1.158 712 N HN 0.412 nan 8.380 nan 0.000 0.463 713 E N -0.372 119.809 120.200 -0.031 0.000 2.320 713 E HA 0.404 4.755 4.350 0.000 0.000 0.264 713 E C -1.694 174.960 176.600 0.090 0.000 0.923 713 E CA -0.992 55.419 56.400 0.018 0.000 0.796 713 E CB 1.557 31.261 29.700 0.006 0.000 1.262 713 E HN 0.552 nan 8.360 nan 0.000 0.428 714 F N 1.529 121.449 119.950 -0.050 0.000 2.449 714 F HA 0.510 5.037 4.527 0.000 0.000 0.342 714 F C -1.509 174.273 175.800 -0.030 0.000 1.127 714 F CA -0.991 56.990 58.000 -0.031 0.000 0.975 714 F CB 1.248 40.232 39.000 -0.026 0.000 1.146 714 F HN 0.578 nan 8.300 nan 0.000 0.444 715 c N 5.186 123.346 118.600 -0.733 0.000 2.383 715 c HA 0.737 5.307 4.570 0.000 0.000 0.330 715 c C -0.325 173.358 174.090 -0.678 0.000 1.168 715 c CA -0.570 55.407 56.329 -0.586 0.000 1.374 715 c CB 0.041 42.380 42.510 -0.284 0.000 2.014 715 c HN 0.928 nan 8.230 nan 0.000 0.439 716 S N 2.504 117.825 115.700 -0.631 0.000 2.745 716 S HA 0.498 4.968 4.470 0.000 0.000 0.306 716 S C 0.300 174.778 174.600 -0.203 0.000 1.137 716 S CA -0.568 57.396 58.200 -0.394 0.000 0.900 716 S CB 1.098 64.088 63.200 -0.351 0.000 1.176 716 S HN 0.539 nan 8.310 nan 0.000 0.520 717 N N 0.261 118.916 118.700 -0.075 0.000 2.424 717 N HA 0.088 4.828 4.740 0.000 0.000 0.178 717 N C 0.975 176.532 175.510 0.079 0.000 1.060 717 N CA 0.614 53.658 53.050 -0.010 0.000 0.901 717 N CB -0.400 38.112 38.487 0.041 0.000 0.979 717 N HN 0.818 nan 8.380 nan 0.000 0.451 718 K N -1.123 119.338 120.400 0.101 0.000 4.378 718 K HA -0.259 4.061 4.320 0.000 0.000 0.416 718 K C -0.144 176.634 176.600 0.296 0.000 0.469 718 K CA 1.401 57.793 56.287 0.175 0.000 1.807 718 K CB -1.501 31.145 32.500 0.244 0.000 0.965 718 K HN 0.159 nan 8.250 nan 0.000 0.530 719 A N 1.335 124.318 122.820 0.272 0.000 3.290 719 A HA 0.376 4.696 4.320 0.000 0.000 0.297 719 A C -0.145 177.559 177.584 0.200 0.000 1.285 719 A CA -0.084 52.096 52.037 0.237 0.000 1.060 719 A CB -0.928 18.124 19.000 0.086 0.000 1.114 719 A HN 0.397 nan 8.150 nan 0.000 0.601 720 W N 0.105 121.384 121.300 -0.035 0.000 2.186 720 W HA 0.225 4.885 4.660 0.000 0.000 0.355 720 W C 0.275 176.743 176.519 -0.084 0.000 1.293 720 W CA -0.076 57.241 57.345 -0.047 0.000 1.316 720 W CB 0.063 29.515 29.460 -0.013 0.000 1.212 720 W HN 0.341 nan 8.180 nan 0.000 0.610 721 L N 2.146 123.125 121.223 -0.407 0.000 5.279 721 L HA -0.245 4.095 4.340 0.000 0.000 0.428 721 L C 1.813 178.421 176.870 -0.436 0.000 0.974 721 L CA 2.368 56.858 54.840 -0.582 0.000 1.338 721 L CB -2.390 39.129 42.059 -0.901 0.000 1.740 721 L HN 1.634 nan 8.230 nan 0.000 0.657 722 G N -0.809 107.798 108.800 -0.323 0.000 2.634 722 G HA2 0.097 4.057 3.960 0.000 0.000 0.309 722 G HA3 0.097 4.057 3.960 0.000 0.000 0.309 722 G C 1.479 176.203 174.900 -0.293 0.000 1.265 722 G CA 1.271 46.229 45.100 -0.237 0.000 0.998 722 G HN 2.032 nan 8.290 nan 0.000 0.551 723 G N -1.569 107.090 108.800 -0.234 0.000 2.203 723 G HA2 -0.244 3.716 3.960 0.000 0.000 0.263 723 G HA3 -0.244 3.716 3.960 0.000 0.000 0.263 723 G C 0.555 175.308 174.900 -0.244 0.000 1.012 723 G CA 1.391 46.342 45.100 -0.248 0.000 0.749 723 G HN 0.920 nan 8.290 nan 0.000 0.512 724 R N -0.584 119.807 120.500 -0.182 0.000 2.491 724 R HA 0.519 4.859 4.340 0.000 0.000 0.283 724 R C 0.970 177.209 176.300 -0.101 0.000 1.072 724 R CA -0.103 55.912 56.100 -0.142 0.000 1.048 724 R CB 0.497 30.737 30.300 -0.100 0.000 0.983 724 R HN 0.390 nan 8.270 nan 0.000 0.450 725 L N 1.930 123.095 121.223 -0.096 0.000 2.332 725 L HA 0.631 4.972 4.340 0.000 0.000 0.269 725 L C 0.438 177.242 176.870 -0.108 0.000 1.016 725 L CA -0.899 53.885 54.840 -0.093 0.000 0.809 725 L CB 1.327 43.322 42.059 -0.106 0.000 1.280 725 L HN 0.379 nan 8.230 nan 0.000 0.447 726 R N 0.304 120.736 120.500 -0.114 0.000 2.515 726 R HA 0.335 4.675 4.340 0.000 0.000 0.278 726 R C -1.640 174.601 176.300 -0.098 0.000 1.107 726 R CA -0.704 55.344 56.100 -0.087 0.000 0.945 726 R CB 1.362 31.654 30.300 -0.013 0.000 1.219 726 R HN 0.376 nan 8.270 nan 0.000 0.434 727 Y N 1.645 121.939 120.300 -0.009 0.000 2.712 727 Y HA 0.091 4.641 4.550 0.000 0.000 0.333 727 Y C 1.476 177.323 175.900 -0.088 0.000 1.225 727 Y CA 1.532 59.599 58.100 -0.056 0.000 1.499 727 Y CB 0.560 38.984 38.460 -0.059 0.000 1.288 727 Y HN 0.762 nan 8.280 nan 0.000 0.575 728 G N 1.357 110.120 108.800 -0.061 0.000 2.514 728 G HA2 0.052 4.013 3.960 0.000 0.000 0.245 728 G HA3 0.052 4.013 3.960 0.000 0.000 0.245 728 G C -0.639 174.188 174.900 -0.121 0.000 1.488 728 G CA -0.628 44.452 45.100 -0.033 0.000 1.063 728 G HN 0.599 nan 8.290 nan 0.000 0.557 729 D N 0.624 121.016 120.400 -0.012 0.000 2.896 729 D HA 0.384 5.024 4.640 0.000 0.000 0.240 729 D C 0.574 176.803 176.300 -0.118 0.000 1.193 729 D CA 0.028 54.014 54.000 -0.024 0.000 0.983 729 D CB 0.290 41.132 40.800 0.070 0.000 1.074 729 D HN 0.433 nan 8.370 nan 0.000 0.496 730 G N -0.209 108.360 108.800 -0.385 0.000 2.420 730 G HA2 0.546 4.506 3.960 0.000 0.000 0.331 730 G HA3 0.546 4.506 3.960 0.000 0.000 0.331 730 G C -0.023 174.654 174.900 -0.371 0.000 1.168 730 G CA -0.526 44.315 45.100 -0.432 0.000 0.936 730 G HN 0.204 nan 8.290 nan 0.000 0.479 731 S N 0.660 116.112 115.700 -0.414 0.000 2.751 731 S HA 0.424 4.894 4.470 0.000 0.000 0.310 731 S C 1.169 175.351 174.600 -0.696 0.000 1.128 731 S CA -0.968 56.994 58.200 -0.396 0.000 0.931 731 S CB 1.792 64.859 63.200 -0.222 0.000 1.177 731 S HN 0.563 nan 8.310 nan 0.000 0.530 732 R N 0.698 120.962 120.500 -0.395 0.000 2.276 732 R HA -0.132 4.208 4.340 0.000 0.000 0.243 732 R C 1.169 177.294 176.300 -0.292 0.000 1.161 732 R CA 1.187 57.157 56.100 -0.216 0.000 1.007 732 R CB -0.735 29.572 30.300 0.010 0.000 0.867 732 R HN 0.658 nan 8.270 nan 0.000 0.472 733 R N -0.426 119.862 120.500 -0.353 0.000 3.160 733 R HA 0.067 4.407 4.340 0.000 0.000 0.266 733 R C 1.617 177.804 176.300 -0.188 0.000 1.167 733 R CA 0.204 56.188 56.100 -0.193 0.000 1.124 733 R CB -0.371 29.844 30.300 -0.141 0.000 1.034 733 R HN -0.053 nan 8.270 nan 0.000 0.536 734 G N -0.133 108.631 108.800 -0.060 0.000 2.499 734 G HA2 -0.251 3.709 3.960 0.000 0.000 0.221 734 G HA3 -0.251 3.709 3.960 0.000 0.000 0.221 734 G C 0.129 175.011 174.900 -0.030 0.000 1.109 734 G CA 0.524 45.625 45.100 0.002 0.000 0.749 734 G HN 0.519 nan 8.290 nan 0.000 0.568 735 N N 0.491 119.101 118.700 -0.150 0.000 2.605 735 N HA 0.276 5.016 4.740 0.000 0.000 0.258 735 N C -1.160 174.119 175.510 -0.384 0.000 1.156 735 N CA -0.112 52.880 53.050 -0.097 0.000 1.008 735 N CB 0.013 38.509 38.487 0.015 0.000 1.354 735 N HN 0.057 nan 8.380 nan 0.000 0.509 736 F N 2.363 122.304 119.950 -0.015 0.000 2.438 736 F HA 0.218 4.745 4.527 0.000 0.000 0.315 736 F C 0.041 175.855 175.800 0.023 0.000 1.258 736 F CA -1.138 56.826 58.000 -0.060 0.000 1.180 736 F CB -0.287 38.655 39.000 -0.098 0.000 1.412 736 F HN 0.242 nan 8.300 nan 0.000 0.544 737 Y N -1.160 119.240 120.300 0.167 0.000 2.374 737 Y HA 0.812 5.362 4.550 0.000 0.000 0.322 737 Y C -0.677 175.319 175.900 0.159 0.000 1.275 737 Y CA -1.693 56.505 58.100 0.163 0.000 1.307 737 Y CB 0.445 38.968 38.460 0.105 0.000 1.282 737 Y HN -0.080 nan 8.280 nan 0.000 0.509 738 V N 1.549 121.635 119.914 0.287 0.000 2.789 738 V HA 0.361 4.481 4.120 0.000 0.000 0.311 738 V C -0.772 175.419 176.094 0.162 0.000 1.073 738 V CA -1.073 61.292 62.300 0.108 0.000 0.921 738 V CB 1.698 33.489 31.823 -0.053 0.000 1.009 738 V HN 0.931 nan 8.190 nan 0.000 0.426 739 E N 3.970 124.239 120.200 0.115 0.000 2.256 739 E HA 0.631 4.981 4.350 0.000 0.000 0.267 739 E C -3.016 173.602 176.600 0.029 0.000 0.892 739 E CA -2.520 53.936 56.400 0.093 0.000 0.775 739 E CB 2.287 32.063 29.700 0.127 0.000 1.207 739 E HN 0.337 nan 8.360 nan 0.000 0.420 740 P HA -0.004 nan 4.420 nan 0.000 0.264 740 P C -0.928 176.367 177.300 -0.010 0.000 1.193 740 P CA 0.204 63.298 63.100 -0.010 0.000 0.763 740 P CB 0.367 32.060 31.700 -0.012 0.000 0.810 741 D N 2.811 123.196 120.400 -0.025 0.000 2.485 741 D HA 0.303 4.943 4.640 0.000 0.000 0.221 741 D C 1.046 177.335 176.300 -0.018 0.000 1.112 741 D CA -0.481 53.507 54.000 -0.020 0.000 0.911 741 D CB 0.387 41.168 40.800 -0.030 0.000 1.019 741 D HN 0.219 nan 8.370 nan 0.000 0.516 742 A N 3.300 126.116 122.820 -0.007 0.000 2.067 742 A HA 0.043 4.364 4.320 0.000 0.000 0.219 742 A C 2.052 179.644 177.584 0.014 0.000 1.158 742 A CA 1.466 53.502 52.037 -0.001 0.000 0.661 742 A CB -0.206 18.795 19.000 0.002 0.000 0.801 742 A HN 0.566 nan 8.150 nan 0.000 0.452 743 A N -0.858 121.972 122.820 0.017 0.000 1.898 743 A HA -0.057 4.263 4.320 0.000 0.000 0.216 743 A C 2.437 180.053 177.584 0.055 0.000 1.181 743 A CA 1.917 53.975 52.037 0.036 0.000 0.620 743 A CB -0.810 18.201 19.000 0.018 0.000 0.819 743 A HN 0.520 nan 8.150 nan 0.000 0.442 744 S N -0.185 115.522 115.700 0.012 0.000 2.428 744 S HA -0.118 4.352 4.470 0.000 0.000 0.230 744 S C 1.814 176.454 174.600 0.067 0.000 1.014 744 S CA 1.248 59.451 58.200 0.005 0.000 0.957 744 S CB -0.519 62.654 63.200 -0.046 0.000 0.784 744 S HN 0.624 nan 8.310 nan 0.000 0.499 745 N N 1.855 120.576 118.700 0.035 0.000 2.171 745 N HA -0.013 4.727 4.740 0.000 0.000 0.184 745 N C 0.563 176.107 175.510 0.056 0.000 1.021 745 N CA 1.129 54.193 53.050 0.023 0.000 0.854 745 N CB -0.497 37.979 38.487 -0.019 0.000 0.994 745 N HN 0.394 nan 8.380 nan 0.000 0.426 746 D N -0.307 120.134 120.400 0.069 0.000 2.323 746 D HA 0.019 4.659 4.640 0.000 0.000 0.239 746 D C -0.199 176.164 176.300 0.105 0.000 1.129 746 D CA -0.057 53.980 54.000 0.062 0.000 0.865 746 D CB -0.607 40.220 40.800 0.045 0.000 0.913 746 D HN 0.182 nan 8.370 nan 0.000 0.517 747 F N 0.947 120.890 119.950 -0.011 0.000 2.384 747 F HA 0.330 4.857 4.527 0.000 0.000 0.338 747 F C -0.167 175.626 175.800 -0.012 0.000 1.103 747 F CA -0.626 57.369 58.000 -0.008 0.000 1.157 747 F CB 1.113 40.112 39.000 -0.002 0.000 1.167 747 F HN -0.272 nan 8.300 nan 0.000 0.529 748 V N 5.563 124.914 119.914 -0.939 0.000 2.623 748 V HA 0.527 4.647 4.120 0.000 0.000 0.304 748 V C -0.945 174.699 176.094 -0.749 0.000 1.054 748 V CA -0.085 61.848 62.300 -0.611 0.000 0.882 748 V CB 2.060 33.673 31.823 -0.351 0.000 1.002 748 V HN 0.944 nan 8.190 nan 0.000 0.424 749 T N 3.435 117.725 114.554 -0.440 0.000 2.823 749 T HA 0.630 4.980 4.350 0.000 0.000 0.279 749 T C -0.486 174.087 174.700 -0.211 0.000 0.998 749 T CA -0.544 61.389 62.100 -0.278 0.000 0.994 749 T CB 1.070 69.878 68.868 -0.100 0.000 0.960 749 T HN 0.742 nan 8.240 nan 0.000 0.448 750 c N 4.347 122.863 118.600 -0.141 0.000 2.298 750 c HA 0.647 5.217 4.570 0.000 0.000 0.323 750 c C 0.658 174.748 174.090 -0.000 0.000 1.284 750 c CA 0.078 56.348 56.329 -0.097 0.000 1.577 750 c CB -0.204 42.254 42.510 -0.087 0.000 2.249 750 c HN 1.173 nan 8.230 nan 0.000 0.497 751 D N 1.869 122.309 120.400 0.067 0.000 3.685 751 D HA -0.205 4.435 4.640 0.000 0.000 0.152 751 D C 1.449 177.800 176.300 0.084 0.000 0.966 751 D CA 2.473 56.550 54.000 0.129 0.000 1.085 751 D CB -1.308 39.566 40.800 0.123 0.000 0.521 751 D HN 1.459 nan 8.370 nan 0.000 0.543 752 G N 0.087 108.957 108.800 0.117 0.000 2.175 752 G HA2 0.079 4.039 3.960 0.000 0.000 0.265 752 G HA3 0.079 4.039 3.960 0.000 0.000 0.265 752 G C 1.169 175.781 174.900 -0.480 0.000 0.979 752 G CA 1.398 46.505 45.100 0.011 0.000 0.663 752 G HN 1.855 nan 8.290 nan 0.000 0.533 753 G N -1.770 106.732 108.800 -0.497 0.000 2.142 753 G HA2 0.019 3.979 3.960 0.000 0.000 0.225 753 G HA3 0.019 3.979 3.960 0.000 0.000 0.225 753 G C 1.176 175.949 174.900 -0.211 0.000 1.015 753 G CA 1.578 46.270 45.100 -0.679 0.000 0.716 753 G HN 2.147 nan 8.290 nan 0.000 0.508 754 T N -3.184 111.335 114.554 -0.058 0.000 3.067 754 T HA 0.154 4.504 4.350 0.000 0.000 0.257 754 T C 1.839 176.589 174.700 0.083 0.000 1.105 754 T CA 1.394 63.516 62.100 0.037 0.000 1.104 754 T CB 0.158 69.080 68.868 0.090 0.000 0.925 754 T HN 0.465 nan 8.240 nan 0.000 0.498 755 Q N 0.534 120.359 119.800 0.041 0.000 1.993 755 Q HA -0.064 4.276 4.340 0.000 0.000 0.202 755 Q C 0.439 176.334 176.000 -0.174 0.000 0.984 755 Q CA 1.286 56.928 55.803 -0.268 0.000 0.837 755 Q CB -0.349 28.181 28.738 -0.346 0.000 0.902 755 Q HN 0.534 nan 8.270 nan 0.000 0.423 756 F N -1.133 118.696 119.950 -0.203 0.000 2.983 756 F HA -0.233 4.294 4.527 0.000 0.000 0.288 756 F C -0.256 175.291 175.800 -0.422 0.000 0.980 756 F CA 0.479 58.422 58.000 -0.095 0.000 0.965 756 F CB -0.946 38.046 39.000 -0.014 0.000 0.967 756 F HN 0.239 nan 8.300 nan 0.000 0.800 757 G N -0.407 107.765 108.800 -1.046 0.000 2.645 757 G HA2 0.444 4.404 3.960 0.000 0.000 0.292 757 G HA3 0.444 4.404 3.960 0.000 0.000 0.292 757 G C 0.209 174.389 174.900 -1.200 0.000 1.415 757 G CA -0.170 44.309 45.100 -1.036 0.000 0.785 757 G HN 0.504 nan 8.290 nan 0.000 0.483 758 S N -0.666 114.700 115.700 -0.556 0.000 2.496 758 S HA 0.176 4.646 4.470 0.000 0.000 0.224 758 S C 2.052 176.696 174.600 0.073 0.000 0.996 758 S CA 1.132 59.216 58.200 -0.194 0.000 0.927 758 S CB 0.293 63.474 63.200 -0.031 0.000 0.774 758 S HN 1.283 nan 8.310 nan 0.000 0.524 759 A N 1.148 123.987 122.820 0.031 0.000 2.252 759 A HA 0.619 4.939 4.320 0.000 0.000 0.207 759 A C 2.084 179.696 177.584 0.048 0.000 1.194 759 A CA 0.671 52.802 52.037 0.156 0.000 0.809 759 A CB -0.828 18.325 19.000 0.256 0.000 0.814 759 A HN 0.600 nan 8.150 nan 0.000 0.482 760 A N -1.231 121.567 122.820 -0.037 0.000 2.015 760 A HA 0.235 4.555 4.320 0.000 0.000 0.219 760 A C 0.590 178.041 177.584 -0.222 0.000 1.163 760 A CA 0.845 52.792 52.037 -0.150 0.000 0.646 760 A CB -0.215 18.705 19.000 -0.134 0.000 0.806 760 A HN 0.514 nan 8.150 nan 0.000 0.448 761 Y N -2.557 117.894 120.300 0.252 0.000 2.581 761 Y HA 0.574 5.124 4.550 0.000 0.000 0.345 761 Y C -0.543 175.544 175.900 0.312 0.000 1.036 761 Y CA -1.281 57.022 58.100 0.339 0.000 1.042 761 Y CB 1.291 40.075 38.460 0.541 0.000 1.289 761 Y HN -0.039 nan 8.280 nan 0.000 0.471 762 L N 3.503 124.924 121.223 0.330 0.000 2.357 762 L HA 0.516 4.856 4.340 0.000 0.000 0.273 762 L C -2.312 174.456 176.870 -0.169 0.000 1.080 762 L CA -2.116 52.724 54.840 0.001 0.000 0.803 762 L CB 0.098 42.087 42.059 -0.118 0.000 1.174 762 L HN 0.358 nan 8.230 nan 0.000 0.443 763 P HA 0.072 nan 4.420 nan 0.000 0.264 763 P C 0.084 176.948 177.300 -0.727 0.000 1.179 763 P CA 0.019 62.503 63.100 -1.027 0.000 0.763 763 P CB 0.377 30.833 31.700 -2.073 0.000 0.806 764 G N 1.647 110.155 108.800 -0.486 0.000 2.621 764 G HA2 0.199 4.159 3.960 0.000 0.000 0.271 764 G HA3 0.199 4.159 3.960 0.000 0.000 0.271 764 G C -0.663 174.117 174.900 -0.201 0.000 1.236 764 G CA -0.451 44.480 45.100 -0.282 0.000 0.958 764 G HN 0.356 nan 8.290 nan 0.000 0.512 765 D N -0.274 120.049 120.400 -0.129 0.000 2.302 765 D HA 0.500 5.140 4.640 0.000 0.000 0.248 765 D C 0.766 176.983 176.300 -0.138 0.000 1.094 765 D CA 0.216 54.128 54.000 -0.146 0.000 0.897 765 D CB 1.245 41.991 40.800 -0.091 0.000 1.200 765 D HN 0.604 nan 8.370 nan 0.000 0.429 766 R N -0.187 120.110 120.500 -0.339 0.000 2.728 766 R HA 0.779 5.119 4.340 0.000 0.000 0.274 766 R C -0.781 175.118 176.300 -0.669 0.000 1.030 766 R CA -1.130 54.704 56.100 -0.443 0.000 0.876 766 R CB 0.989 31.107 30.300 -0.304 0.000 1.259 766 R HN 0.498 nan 8.270 nan 0.000 0.468 767 G N -0.119 108.166 108.800 -0.858 0.000 2.706 767 G HA2 0.631 4.591 3.960 0.000 0.000 0.307 767 G HA3 0.631 4.591 3.960 0.000 0.000 0.307 767 G C -1.473 172.979 174.900 -0.747 0.000 1.307 767 G CA -0.274 44.428 45.100 -0.664 0.000 0.790 767 G HN 0.981 nan 8.290 nan 0.000 0.503 768 S N -2.422 113.168 115.700 -0.184 0.000 2.596 768 S HA 0.782 5.252 4.470 0.000 0.000 0.270 768 S C -1.683 173.094 174.600 0.295 0.000 1.155 768 S CA -0.581 57.671 58.200 0.087 0.000 0.827 768 S CB 1.730 64.928 63.200 -0.004 0.000 1.130 768 S HN 1.988 nan 8.310 nan 0.000 0.467 769 V N 1.722 121.791 119.914 0.258 0.000 2.697 769 V HA 0.763 4.883 4.120 0.000 0.000 0.300 769 V C -0.503 175.672 176.094 0.134 0.000 1.115 769 V CA 0.449 62.860 62.300 0.185 0.000 0.912 769 V CB 1.598 33.519 31.823 0.164 0.000 1.024 769 V HN 1.521 nan 8.190 nan 0.000 0.431 770 T N 4.957 119.578 114.554 0.110 0.000 2.945 770 T HA 0.809 5.159 4.350 0.000 0.000 0.286 770 T C -0.637 174.063 174.700 0.001 0.000 1.025 770 T CA -0.771 61.391 62.100 0.103 0.000 1.039 770 T CB 1.743 70.706 68.868 0.160 0.000 1.068 770 T HN 0.703 nan 8.240 nan 0.000 0.497 771 L N 1.814 123.000 121.223 -0.061 0.000 2.514 771 L HA 0.531 4.871 4.340 0.000 0.000 0.257 771 L C 0.540 177.183 176.870 -0.378 0.000 1.101 771 L CA -0.872 53.838 54.840 -0.217 0.000 0.911 771 L CB 1.096 43.148 42.059 -0.012 0.000 1.162 771 L HN 1.022 nan 8.230 nan 0.000 0.477 772 G N 0.374 108.633 108.800 -0.900 0.000 2.437 772 G HA2 0.752 4.712 3.960 0.000 0.000 0.319 772 G HA3 0.752 4.712 3.960 0.000 0.000 0.319 772 G C -0.453 173.990 174.900 -0.761 0.000 1.158 772 G CA -0.459 44.086 45.100 -0.924 0.000 0.899 772 G HN 0.470 nan 8.290 nan 0.000 0.502 773 G N -0.260 108.428 108.800 -0.187 0.000 2.667 773 G HA2 0.643 4.603 3.960 0.000 0.000 0.298 773 G HA3 0.643 4.603 3.960 0.000 0.000 0.298 773 G C -0.922 174.069 174.900 0.152 0.000 1.377 773 G CA -0.899 44.225 45.100 0.040 0.000 0.964 773 G HN 0.659 nan 8.290 nan 0.000 0.493 774 R N -0.003 120.599 120.500 0.171 0.000 2.711 774 R HA 0.859 5.199 4.340 0.000 0.000 0.284 774 R C -0.217 176.154 176.300 0.118 0.000 0.968 774 R CA -0.552 55.645 56.100 0.162 0.000 0.924 774 R CB 2.310 32.700 30.300 0.149 0.000 1.162 774 R HN 0.787 nan 8.270 nan 0.000 0.465 775 A N 0.951 123.864 122.820 0.156 0.000 2.583 775 A HA 0.637 4.957 4.320 0.000 0.000 0.299 775 A C -1.234 176.474 177.584 0.207 0.000 1.258 775 A CA -0.871 51.216 52.037 0.083 0.000 0.682 775 A CB 0.281 19.275 19.000 -0.010 0.000 1.332 775 A HN 0.654 nan 8.150 nan 0.000 0.485 776 F N 0.529 120.525 119.950 0.077 0.000 2.417 776 F HA -0.137 4.390 4.527 0.000 0.000 0.225 776 F C 0.662 176.520 175.800 0.097 0.000 1.032 776 F CA 1.829 59.889 58.000 0.101 0.000 0.919 776 F CB -1.102 37.994 39.000 0.160 0.000 1.012 776 F HN 0.835 nan 8.300 nan 0.000 0.819 777 D N 0.411 120.907 120.400 0.161 0.000 2.800 777 D HA -0.290 4.350 4.640 0.000 0.000 0.232 777 D C 1.063 177.416 176.300 0.088 0.000 1.137 777 D CA 1.526 55.591 54.000 0.109 0.000 0.718 777 D CB -0.492 40.380 40.800 0.120 0.000 1.084 777 D HN 0.765 nan 8.370 nan 0.000 0.432 778 R N -1.373 119.178 120.500 0.084 0.000 3.953 778 R HA -0.254 4.086 4.340 0.000 0.000 0.340 778 R C -0.634 175.714 176.300 0.080 0.000 1.195 778 R CA 1.940 58.080 56.100 0.067 0.000 0.929 778 R CB -1.257 29.062 30.300 0.031 0.000 1.402 778 R HN 0.234 nan 8.270 nan 0.000 0.540 779 K N 0.571 121.047 120.400 0.126 0.000 2.842 779 K HA 0.381 4.701 4.320 0.000 0.000 0.176 779 K C -1.244 175.486 176.600 0.217 0.000 1.080 779 K CA -0.407 55.940 56.287 0.099 0.000 0.954 779 K CB 0.349 32.830 32.500 -0.031 0.000 1.203 779 K HN 0.141 nan 8.250 nan 0.000 0.611 780 L N 2.141 123.520 121.223 0.259 0.000 2.508 780 L HA 0.268 4.608 4.340 0.000 0.000 0.276 780 L C -1.121 175.886 176.870 0.229 0.000 1.456 780 L CA -0.263 54.764 54.840 0.312 0.000 0.693 780 L CB 0.836 43.145 42.059 0.415 0.000 0.965 780 L HN 0.415 nan 8.230 nan 0.000 0.517 781 D N 2.617 123.143 120.400 0.210 0.000 2.434 781 D HA 0.431 5.071 4.640 0.000 0.000 0.252 781 D C -0.101 176.311 176.300 0.186 0.000 1.185 781 D CA 0.744 54.888 54.000 0.240 0.000 0.886 781 D CB 1.161 42.123 40.800 0.270 0.000 1.148 781 D HN 0.499 nan 8.370 nan 0.000 0.483 782 A N 2.770 125.629 122.820 0.064 0.000 2.456 782 A HA 0.705 5.025 4.320 0.000 0.000 0.288 782 A C -0.166 177.177 177.584 -0.402 0.000 1.042 782 A CA -0.091 51.834 52.037 -0.187 0.000 0.738 782 A CB 1.466 20.420 19.000 -0.077 0.000 1.266 782 A HN 0.597 nan 8.150 nan 0.000 0.407 783 G N -0.602 107.585 108.800 -1.021 0.000 2.749 783 G HA2 0.745 4.705 3.960 0.000 0.000 0.300 783 G HA3 0.745 4.705 3.960 0.000 0.000 0.300 783 G C -1.608 172.933 174.900 -0.597 0.000 1.352 783 G CA -0.076 44.606 45.100 -0.697 0.000 0.789 783 G HN 1.823 nan 8.290 nan 0.000 0.509 784 V N -0.486 119.356 119.914 -0.121 0.000 2.709 784 V HA 0.786 4.906 4.120 0.000 0.000 0.308 784 V C -0.712 175.512 176.094 0.218 0.000 1.062 784 V CA -0.384 61.966 62.300 0.083 0.000 0.901 784 V CB 2.104 33.984 31.823 0.096 0.000 1.003 784 V HN 0.826 nan 8.190 nan 0.000 0.425 785 T N 6.048 120.760 114.554 0.263 0.000 2.770 785 T HA 0.515 4.865 4.350 0.000 0.000 0.283 785 T C -0.547 174.224 174.700 0.118 0.000 0.988 785 T CA -0.241 61.973 62.100 0.190 0.000 0.957 785 T CB 1.292 70.256 68.868 0.159 0.000 0.930 785 T HN 0.544 nan 8.240 nan 0.000 0.443 786 V N 5.374 125.339 119.914 0.085 0.000 2.333 786 V HA 0.373 4.493 4.120 0.000 0.000 0.274 786 V C 0.299 176.435 176.094 0.069 0.000 1.028 786 V CA -0.820 61.457 62.300 -0.037 0.000 0.851 786 V CB 0.609 32.393 31.823 -0.065 0.000 1.000 786 V HN 0.706 nan 8.190 nan 0.000 0.456 787 R N 5.517 126.007 120.500 -0.017 0.000 2.204 787 R HA 0.569 4.909 4.340 0.000 0.000 0.341 787 R C -0.502 175.808 176.300 0.016 0.000 1.035 787 R CA -0.101 55.991 56.100 -0.014 0.000 0.887 787 R CB 0.590 30.883 30.300 -0.012 0.000 1.114 787 R HN 0.714 nan 8.270 nan 0.000 0.473 788 F N 0.151 120.028 119.950 -0.122 0.000 2.594 788 F HA 0.951 5.478 4.527 0.000 0.000 0.335 788 F C -0.569 175.037 175.800 -0.324 0.000 1.058 788 F CA -1.582 56.285 58.000 -0.222 0.000 0.981 788 F CB 1.634 40.547 39.000 -0.145 0.000 1.289 788 F HN 0.379 nan 8.300 nan 0.000 0.490 789 A N 1.599 124.233 122.820 -0.310 0.000 2.513 789 A HA 0.621 4.941 4.320 0.000 0.000 0.296 789 A C -2.664 174.898 177.584 -0.036 0.000 1.052 789 A CA -1.417 50.435 52.037 -0.309 0.000 0.714 789 A CB 1.168 19.743 19.000 -0.708 0.000 1.279 789 A HN 0.501 nan 8.150 nan 0.000 0.397 790 P HA 0.129 nan 4.420 nan 0.000 0.215 790 P C 0.795 178.180 177.300 0.142 0.000 1.153 790 P CA 2.098 65.302 63.100 0.173 0.000 0.853 790 P CB 0.195 32.035 31.700 0.233 0.000 0.788 791 G N -1.626 107.270 108.800 0.160 0.000 3.055 791 G HA2 0.045 4.005 3.960 0.000 0.000 0.685 791 G HA3 0.045 4.005 3.960 0.000 0.000 0.685 791 G C -1.968 173.113 174.900 0.302 0.000 1.212 791 G CA -0.884 44.348 45.100 0.219 0.000 0.822 791 G HN 0.117 nan 8.290 nan 0.000 0.610 792 Y N 2.527 122.948 120.300 0.202 0.000 2.322 792 Y HA 0.709 5.259 4.550 0.000 0.000 0.324 792 Y C -0.286 175.708 175.900 0.156 0.000 1.027 792 Y CA -0.741 57.473 58.100 0.190 0.000 1.179 792 Y CB 1.450 40.055 38.460 0.241 0.000 1.136 792 Y HN 0.745 nan 8.280 nan 0.000 0.449 793 Q N 3.344 122.967 119.800 -0.296 0.000 2.423 793 Q HA 0.359 4.699 4.340 0.000 0.000 0.278 793 Q C -1.832 173.871 176.000 -0.494 0.000 1.097 793 Q CA -1.140 54.411 55.803 -0.420 0.000 0.809 793 Q CB 2.680 31.296 28.738 -0.205 0.000 1.391 793 Q HN 0.598 nan 8.270 nan 0.000 0.428 794 D N 0.207 120.313 120.400 -0.489 0.000 2.420 794 D HA 0.231 4.871 4.640 0.000 0.000 0.255 794 D C -0.995 175.169 176.300 -0.226 0.000 1.185 794 D CA -0.281 53.522 54.000 -0.329 0.000 0.904 794 D CB 1.058 41.655 40.800 -0.338 0.000 1.102 794 D HN 0.313 nan 8.370 nan 0.000 0.534 795 S N 1.349 116.955 115.700 -0.157 0.000 2.945 795 S HA 0.142 4.612 4.470 0.000 0.000 0.227 795 S C 0.999 175.540 174.600 -0.099 0.000 1.353 795 S CA -0.274 57.847 58.200 -0.133 0.000 1.236 795 S CB -0.032 63.103 63.200 -0.108 0.000 1.069 795 S HN 0.487 nan 8.310 nan 0.000 0.509 796 S N -0.582 115.057 115.700 -0.102 0.000 2.728 796 S HA 0.227 4.697 4.470 0.000 0.000 0.257 796 S C 0.264 174.795 174.600 -0.116 0.000 1.060 796 S CA -0.216 57.941 58.200 -0.073 0.000 1.126 796 S CB -0.032 63.152 63.200 -0.026 0.000 1.099 796 S HN 0.364 nan 8.310 nan 0.000 0.617 797 V N -0.637 119.154 119.914 -0.205 0.000 2.769 797 V HA 0.786 4.906 4.120 0.000 0.000 0.312 797 V C -3.173 172.661 176.094 -0.433 0.000 1.061 797 V CA -2.633 59.413 62.300 -0.423 0.000 0.931 797 V CB 0.725 32.121 31.823 -0.712 0.000 1.010 797 V HN -0.039 nan 8.190 nan 0.000 0.433 798 P HA 0.232 nan 4.420 nan 0.000 0.269 798 P C 0.529 177.717 177.300 -0.185 0.000 1.217 798 P CA 0.070 63.050 63.100 -0.199 0.000 0.783 798 P CB 0.527 32.227 31.700 0.000 0.000 0.898 799 S N 0.583 116.234 115.700 -0.082 0.000 2.631 799 S HA -0.043 4.427 4.470 0.000 0.000 0.217 799 S C 1.229 175.838 174.600 0.015 0.000 0.958 799 S CA 0.004 58.166 58.200 -0.063 0.000 0.920 799 S CB -0.795 62.354 63.200 -0.085 0.000 0.776 799 S HN 0.597 nan 8.310 nan 0.000 0.517 800 N N 0.127 118.891 118.700 0.106 0.000 2.424 800 N HA -0.060 4.680 4.740 0.000 0.000 0.178 800 N C -0.196 175.457 175.510 0.237 0.000 1.060 800 N CA 0.087 53.221 53.050 0.140 0.000 0.901 800 N CB -0.722 37.841 38.487 0.127 0.000 0.979 800 N HN 0.215 nan 8.380 nan 0.000 0.451 801 Y N 1.790 122.113 120.300 0.039 0.000 2.904 801 Y HA 0.061 4.611 4.550 0.000 0.000 0.336 801 Y C -1.018 174.922 175.900 0.067 0.000 1.263 801 Y CA -1.427 56.725 58.100 0.085 0.000 1.547 801 Y CB -0.154 38.370 38.460 0.107 0.000 1.272 801 Y HN 0.078 nan 8.280 nan 0.000 0.596 802 P HA -0.089 nan 4.420 nan 0.000 0.219 802 P C -0.806 176.383 177.300 -0.185 0.000 1.150 802 P CA 1.440 64.592 63.100 0.086 0.000 0.814 802 P CB 0.262 32.184 31.700 0.369 0.000 0.787 803 Y N -0.646 119.704 120.300 0.084 0.000 2.326 803 Y HA 0.412 4.962 4.550 0.000 0.000 0.331 803 Y C 0.409 176.448 175.900 0.232 0.000 0.962 803 Y CA -0.843 57.312 58.100 0.092 0.000 1.167 803 Y CB 1.099 39.604 38.460 0.075 0.000 1.148 803 Y HN -0.263 nan 8.280 nan 0.000 0.463 804 L N 2.150 123.438 121.223 0.108 0.000 2.298 804 L HA 0.867 5.207 4.340 0.000 0.000 0.268 804 L C -0.103 176.382 176.870 -0.640 0.000 1.010 804 L CA -1.403 53.364 54.840 -0.123 0.000 0.812 804 L CB 1.694 43.599 42.059 -0.257 0.000 1.331 804 L HN 0.617 nan 8.230 nan 0.000 0.450 805 A N 0.543 122.659 122.820 -1.172 0.000 2.801 805 A HA 0.385 4.705 4.320 0.000 0.000 0.344 805 A C -0.848 175.997 177.584 -1.231 0.000 1.322 805 A CA -0.110 51.011 52.037 -1.527 0.000 0.913 805 A CB -0.303 17.739 19.000 -1.596 0.000 1.140 805 A HN 0.570 nan 8.150 nan 0.000 0.487 806 D N 2.139 121.671 120.400 -1.446 0.000 2.517 806 D HA 0.262 4.902 4.640 0.000 0.000 0.301 806 D C -1.091 174.763 176.300 -0.744 0.000 1.202 806 D CA -0.078 53.419 54.000 -0.839 0.000 0.910 806 D CB 0.081 40.547 40.800 -0.558 0.000 1.021 806 D HN 0.518 nan 8.370 nan 0.000 0.499 807 W N 3.886 125.189 121.300 0.006 0.000 2.433 807 W HA 0.296 4.956 4.660 0.000 0.000 0.288 807 W C -2.458 174.166 176.519 0.176 0.000 0.986 807 W CA -1.881 55.544 57.345 0.133 0.000 1.680 807 W CB 0.600 30.184 29.460 0.208 0.000 1.615 807 W HN 0.137 nan 8.180 nan 0.000 0.416 808 P HA -0.043 nan 4.420 nan 0.000 0.272 808 P C 0.374 177.874 177.300 0.333 0.000 1.248 808 P CA 0.260 63.511 63.100 0.252 0.000 0.799 808 P CB 0.804 32.632 31.700 0.213 0.000 0.997 809 K N 0.712 121.255 120.400 0.237 0.000 2.276 809 K HA 0.316 4.636 4.320 0.000 0.000 0.259 809 K C -0.727 176.045 176.600 0.286 0.000 1.001 809 K CA -0.096 56.298 56.287 0.179 0.000 0.927 809 K CB -0.007 32.570 32.500 0.128 0.000 0.969 809 K HN 0.573 nan 8.250 nan 0.000 0.490 810 Y N -3.082 117.317 120.300 0.166 0.000 2.565 810 Y HA 0.365 4.915 4.550 0.000 0.000 0.330 810 Y C -1.659 174.283 175.900 0.069 0.000 1.150 810 Y CA -1.107 57.067 58.100 0.123 0.000 1.055 810 Y CB 1.508 40.053 38.460 0.143 0.000 1.337 810 Y HN 0.537 nan 8.280 nan 0.000 0.457 811 T N 5.168 119.830 114.554 0.180 0.000 2.892 811 T HA 0.551 4.901 4.350 0.000 0.000 0.311 811 T C -0.696 173.925 174.700 -0.130 0.000 1.033 811 T CA -0.556 61.548 62.100 0.006 0.000 0.991 811 T CB 0.269 69.119 68.868 -0.030 0.000 0.981 811 T HN 0.627 nan 8.240 nan 0.000 0.457 812 L N 3.082 124.187 121.223 -0.198 0.000 2.325 812 L HA 0.655 4.995 4.340 0.000 0.000 0.279 812 L C -0.787 175.830 176.870 -0.422 0.000 1.054 812 L CA -0.945 53.754 54.840 -0.235 0.000 0.804 812 L CB 0.916 42.837 42.059 -0.231 0.000 1.200 812 L HN 0.515 nan 8.230 nan 0.000 0.436 813 F N 0.620 120.592 119.950 0.037 0.000 2.427 813 F HA 0.347 4.874 4.527 0.000 0.000 0.348 813 F C -0.267 175.564 175.800 0.051 0.000 1.125 813 F CA -0.765 57.264 58.000 0.050 0.000 0.989 813 F CB 1.426 40.451 39.000 0.041 0.000 1.165 813 F HN 0.363 nan 8.300 nan 0.000 0.442 814 D N 4.479 125.002 120.400 0.206 0.000 2.308 814 D HA 0.520 5.160 4.640 0.000 0.000 0.242 814 D C -0.326 176.103 176.300 0.215 0.000 1.059 814 D CA -0.215 53.891 54.000 0.177 0.000 0.830 814 D CB 2.058 42.939 40.800 0.134 0.000 1.161 814 D HN 0.309 nan 8.370 nan 0.000 0.494 815 L N 2.114 123.443 121.223 0.176 0.000 2.352 815 L HA 0.618 4.958 4.340 0.000 0.000 0.269 815 L C -0.760 176.239 176.870 0.216 0.000 1.034 815 L CA -1.136 53.778 54.840 0.124 0.000 0.806 815 L CB 0.910 42.998 42.059 0.049 0.000 1.244 815 L HN 0.450 nan 8.230 nan 0.000 0.447 816 Y N 0.079 120.416 120.300 0.061 0.000 2.558 816 Y HA 0.828 5.378 4.550 0.000 0.000 0.333 816 Y C -1.237 174.704 175.900 0.069 0.000 1.125 816 Y CA -1.126 57.011 58.100 0.062 0.000 1.039 816 Y CB 1.307 39.805 38.460 0.064 0.000 1.331 816 Y HN 0.633 nan 8.280 nan 0.000 0.456 817 A N 1.696 124.625 122.820 0.182 0.000 2.572 817 A HA 0.925 5.245 4.320 0.000 0.000 0.295 817 A C -1.234 176.470 177.584 0.200 0.000 1.072 817 A CA -0.322 51.798 52.037 0.139 0.000 0.691 817 A CB 1.537 20.571 19.000 0.057 0.000 1.291 817 A HN 1.524 nan 8.150 nan 0.000 0.404 818 S N 0.010 115.832 115.700 0.204 0.000 2.546 818 S HA 0.772 5.242 4.470 0.000 0.000 0.274 818 S C -1.288 173.450 174.600 0.230 0.000 1.121 818 S CA -0.610 57.704 58.200 0.190 0.000 0.887 818 S CB 1.480 64.778 63.200 0.162 0.000 1.094 818 S HN 1.501 nan 8.310 nan 0.000 0.474 819 Y N 0.885 121.219 120.300 0.056 0.000 2.433 819 Y HA 0.468 5.018 4.550 0.000 0.000 0.337 819 Y C -0.994 174.928 175.900 0.036 0.000 1.026 819 Y CA -0.720 57.401 58.100 0.035 0.000 1.037 819 Y CB 1.695 40.153 38.460 -0.002 0.000 1.245 819 Y HN 0.772 nan 8.280 nan 0.000 0.443 820 K N 6.766 126.774 120.400 -0.653 0.000 2.183 820 K HA 0.095 4.415 4.320 0.000 0.000 0.272 820 K C 0.693 176.934 176.600 -0.599 0.000 1.113 820 K CA -0.196 55.817 56.287 -0.457 0.000 0.949 820 K CB 0.785 33.112 32.500 -0.288 0.000 1.365 820 K HN 0.761 nan 8.250 nan 0.000 0.420 821 L N 2.558 123.639 121.223 -0.237 0.000 2.021 821 L HA -0.244 4.096 4.340 0.000 0.000 0.215 821 L C 1.289 178.140 176.870 -0.032 0.000 1.074 821 L CA 2.025 56.860 54.840 -0.008 0.000 0.760 821 L CB -0.282 41.846 42.059 0.115 0.000 0.889 821 L HN 0.749 nan 8.230 nan 0.000 0.433 822 T N -6.795 107.736 114.554 -0.038 0.000 2.591 822 T HA 0.266 4.616 4.350 0.000 0.000 0.274 822 T C 0.418 175.088 174.700 -0.050 0.000 0.945 822 T CA -0.135 61.953 62.100 -0.020 0.000 1.087 822 T CB 0.357 69.247 68.868 0.036 0.000 1.416 822 T HN -0.064 nan 8.240 nan 0.000 0.514 823 D N -0.043 120.338 120.400 -0.031 0.000 2.355 823 D HA 0.284 4.924 4.640 0.000 0.000 0.218 823 D C 1.370 177.628 176.300 -0.070 0.000 1.004 823 D CA 0.509 54.481 54.000 -0.047 0.000 0.880 823 D CB 0.211 40.995 40.800 -0.028 0.000 0.911 823 D HN 0.403 nan 8.370 nan 0.000 0.528 824 S N -0.794 114.856 115.700 -0.084 0.000 2.818 824 S HA 0.149 4.619 4.470 0.000 0.000 0.251 824 S C 0.322 174.828 174.600 -0.157 0.000 1.083 824 S CA -0.480 57.592 58.200 -0.214 0.000 0.871 824 S CB 1.335 64.295 63.200 -0.399 0.000 0.831 824 S HN 0.090 nan 8.310 nan 0.000 0.470 825 L N 3.909 125.140 121.223 0.013 0.000 2.278 825 L HA 0.481 4.821 4.340 0.000 0.000 0.287 825 L C -1.145 175.759 176.870 0.056 0.000 1.072 825 L CA 0.882 55.799 54.840 0.128 0.000 0.819 825 L CB 0.472 42.641 42.059 0.183 0.000 1.176 825 L HN 0.098 nan 8.230 nan 0.000 0.435 826 T N 6.774 121.373 114.554 0.074 0.000 2.930 826 T HA 0.410 4.760 4.350 0.000 0.000 0.313 826 T C -0.186 174.573 174.700 0.098 0.000 1.019 826 T CA -0.419 61.713 62.100 0.053 0.000 1.004 826 T CB 0.963 69.853 68.868 0.037 0.000 0.987 826 T HN 0.551 nan 8.240 nan 0.000 0.456 827 L N 2.224 123.513 121.223 0.111 0.000 2.317 827 L HA 0.955 5.295 4.340 0.000 0.000 0.281 827 L C -0.245 176.704 176.870 0.132 0.000 1.024 827 L CA -1.127 53.785 54.840 0.119 0.000 0.810 827 L CB 1.393 43.520 42.059 0.112 0.000 1.240 827 L HN 0.604 nan 8.230 nan 0.000 0.427 828 R N 1.699 122.274 120.500 0.124 0.000 2.799 828 R HA 0.974 5.314 4.340 0.000 0.000 0.270 828 R C -0.816 175.554 176.300 0.118 0.000 1.010 828 R CA -0.781 55.398 56.100 0.132 0.000 0.916 828 R CB 1.883 32.268 30.300 0.143 0.000 1.228 828 R HN 0.850 nan 8.270 nan 0.000 0.469 829 G N -0.143 108.729 108.800 0.120 0.000 2.690 829 G HA2 0.625 4.585 3.960 0.000 0.000 0.291 829 G HA3 0.625 4.585 3.960 0.000 0.000 0.291 829 G C -1.376 173.600 174.900 0.126 0.000 1.403 829 G CA -0.623 44.540 45.100 0.105 0.000 0.864 829 G HN 0.841 nan 8.290 nan 0.000 0.480 830 S N -1.716 114.051 115.700 0.112 0.000 2.596 830 S HA 0.799 5.269 4.470 0.000 0.000 0.270 830 S C -1.571 173.089 174.600 0.100 0.000 1.155 830 S CA -0.807 57.471 58.200 0.131 0.000 0.827 830 S CB 1.973 65.260 63.200 0.145 0.000 1.130 830 S HN 1.058 nan 8.310 nan 0.000 0.467 831 V N 1.672 121.650 119.914 0.107 0.000 2.577 831 V HA 0.441 4.561 4.120 0.000 0.000 0.303 831 V C 0.827 176.979 176.094 0.097 0.000 1.042 831 V CA -0.594 61.760 62.300 0.090 0.000 0.872 831 V CB 1.635 33.505 31.823 0.077 0.000 0.998 831 V HN 1.029 nan 8.190 nan 0.000 0.423 832 E N 3.102 123.351 120.200 0.082 0.000 1.997 832 E HA -0.088 4.262 4.350 0.000 0.000 0.196 832 E C 0.728 177.378 176.600 0.083 0.000 0.990 832 E CA 1.059 57.504 56.400 0.074 0.000 0.845 832 E CB 0.162 29.896 29.700 0.056 0.000 0.795 832 E HN 0.712 nan 8.360 nan 0.000 0.479 833 N N 1.451 120.205 118.700 0.090 0.000 3.044 833 N HA 0.025 4.765 4.740 0.000 0.000 0.254 833 N C 1.098 176.681 175.510 0.121 0.000 1.253 833 N CA -0.336 52.771 53.050 0.094 0.000 0.944 833 N CB 0.402 38.955 38.487 0.109 0.000 1.217 833 N HN 0.109 nan 8.380 nan 0.000 0.498 834 L N 2.241 123.551 121.223 0.146 0.000 1.990 834 L HA -0.159 4.181 4.340 0.000 0.000 0.213 834 L C 2.103 179.036 176.870 0.106 0.000 1.072 834 L CA 2.299 57.212 54.840 0.122 0.000 0.755 834 L CB -1.211 40.926 42.059 0.130 0.000 0.889 834 L HN 0.600 nan 8.230 nan 0.000 0.432 835 T N -2.748 111.896 114.554 0.150 0.000 3.160 835 T HA -0.064 4.286 4.350 0.000 0.000 0.257 835 T C 1.005 175.777 174.700 0.119 0.000 1.147 835 T CA 0.408 62.582 62.100 0.123 0.000 1.064 835 T CB -0.563 68.414 68.868 0.182 0.000 0.949 835 T HN 0.462 nan 8.240 nan 0.000 0.526 836 N N 1.411 120.187 118.700 0.126 0.000 2.671 836 N HA -0.192 4.548 4.740 0.000 0.000 0.261 836 N C -0.358 175.240 175.510 0.147 0.000 1.053 836 N CA 0.344 53.472 53.050 0.130 0.000 0.732 836 N CB -1.364 37.183 38.487 0.101 0.000 0.887 836 N HN 0.780 nan 8.380 nan 0.000 0.546 837 R N 0.460 121.060 120.500 0.166 0.000 2.428 837 R HA 0.692 5.032 4.340 0.000 0.000 0.294 837 R C -0.104 176.355 176.300 0.265 0.000 1.000 837 R CA -0.062 56.151 56.100 0.187 0.000 0.960 837 R CB 0.735 31.140 30.300 0.174 0.000 1.076 837 R HN 0.339 nan 8.270 nan 0.000 0.475 838 A N 3.939 126.905 122.820 0.244 0.000 2.366 838 A HA 0.409 4.729 4.320 0.000 0.000 0.272 838 A C -1.221 176.547 177.584 0.308 0.000 1.135 838 A CA -0.176 52.014 52.037 0.255 0.000 0.804 838 A CB 0.108 19.215 19.000 0.179 0.000 1.064 838 A HN 0.764 nan 8.150 nan 0.000 0.499 839 Y N -0.686 119.635 120.300 0.035 0.000 2.689 839 Y HA 0.664 5.214 4.550 0.000 0.000 0.333 839 Y C -1.481 174.381 175.900 -0.063 0.000 1.208 839 Y CA -1.649 56.422 58.100 -0.048 0.000 1.055 839 Y CB 0.730 39.025 38.460 -0.276 0.000 1.304 839 Y HN 0.459 nan 8.280 nan 0.000 0.455 840 V N 2.958 122.769 119.914 -0.172 0.000 2.577 840 V HA 0.505 4.625 4.120 0.000 0.000 0.303 840 V C -0.156 175.914 176.094 -0.040 0.000 1.042 840 V CA -0.856 61.319 62.300 -0.209 0.000 0.872 840 V CB 1.533 33.390 31.823 0.056 0.000 0.998 840 V HN 1.039 nan 8.190 nan 0.000 0.423 841 V N 2.320 122.167 119.914 -0.112 0.000 2.752 841 V HA 0.158 4.278 4.120 0.000 0.000 0.306 841 V C 0.860 177.038 176.094 0.141 0.000 1.099 841 V CA 0.273 62.619 62.300 0.077 0.000 1.240 841 V CB 0.524 32.368 31.823 0.035 0.000 0.887 841 V HN 0.913 nan 8.190 nan 0.000 0.499 842 S N 3.841 119.685 115.700 0.240 0.000 2.558 842 S HA 0.166 4.636 4.470 0.000 0.000 0.288 842 S C 0.255 174.609 174.600 -0.410 0.000 1.318 842 S CA 0.749 58.905 58.200 -0.073 0.000 1.056 842 S CB -0.856 62.415 63.200 0.117 0.000 0.853 842 S HN 1.646 nan 8.310 nan 0.000 0.505 843 Y N 0.986 120.253 120.300 -1.721 0.000 4.753 843 Y HA -0.275 4.275 4.550 0.000 0.000 0.232 843 Y C 0.589 176.265 175.900 -0.374 0.000 1.029 843 Y CA 0.771 58.057 58.100 -1.355 0.000 1.996 843 Y CB -1.500 36.513 38.460 -0.744 0.000 1.602 843 Y HN 0.846 nan 8.280 nan 0.000 0.621 844 G N 1.932 110.624 108.800 -0.180 0.000 2.491 844 G HA2 0.131 4.091 3.960 0.000 0.000 0.242 844 G HA3 0.131 4.091 3.960 0.000 0.000 0.242 844 G C -0.347 174.674 174.900 0.202 0.000 1.266 844 G CA 0.094 45.225 45.100 0.053 0.000 0.844 844 G HN 0.598 nan 8.290 nan 0.000 0.571 845 E N 0.768 120.986 120.200 0.030 0.000 2.614 845 E HA -0.078 4.272 4.350 0.000 0.000 0.245 845 E C 1.649 178.265 176.600 0.027 0.000 1.039 845 E CA 0.593 57.000 56.400 0.011 0.000 0.948 845 E CB 0.286 29.954 29.700 -0.053 0.000 0.937 845 E HN 0.547 nan 8.360 nan 0.000 0.498 846 T N 2.312 116.869 114.554 0.005 0.000 3.023 846 T HA -0.136 4.214 4.350 0.000 0.000 0.266 846 T C 1.611 176.214 174.700 -0.162 0.000 1.093 846 T CA 0.133 62.167 62.100 -0.110 0.000 1.129 846 T CB 0.061 68.772 68.868 -0.262 0.000 0.899 846 T HN 0.418 nan 8.240 nan 0.000 0.491 847 L N 1.341 122.418 121.223 -0.243 0.000 2.083 847 L HA 0.309 4.649 4.340 0.000 0.000 0.209 847 L C 2.691 179.484 176.870 -0.129 0.000 1.083 847 L CA 1.626 56.297 54.840 -0.281 0.000 0.752 847 L CB -1.068 40.720 42.059 -0.452 0.000 0.899 847 L HN 0.460 nan 8.230 nan 0.000 0.433 848 A N -1.895 120.896 122.820 -0.048 0.000 2.085 848 A HA 0.089 4.409 4.320 0.000 0.000 0.208 848 A C 0.985 178.709 177.584 0.234 0.000 1.191 848 A CA 0.519 52.628 52.037 0.119 0.000 0.799 848 A CB -0.252 18.751 19.000 0.005 0.000 0.877 848 A HN 0.480 nan 8.150 nan 0.000 0.473 849 N N 1.140 119.896 118.700 0.093 0.000 2.688 849 N HA -0.139 4.601 4.740 0.000 0.000 0.258 849 N C -0.048 175.569 175.510 0.178 0.000 1.016 849 N CA 1.091 54.209 53.050 0.113 0.000 0.747 849 N CB -1.564 36.976 38.487 0.088 0.000 0.895 849 N HN 0.654 nan 8.380 nan 0.000 0.543 850 T N -0.721 113.837 114.554 0.006 0.000 2.729 850 T HA 0.512 4.862 4.350 0.000 0.000 0.296 850 T C 0.782 175.415 174.700 -0.111 0.000 0.928 850 T CA -1.031 60.984 62.100 -0.141 0.000 1.045 850 T CB 0.738 69.428 68.868 -0.296 0.000 0.902 850 T HN 0.168 nan 8.240 nan 0.000 0.500 851 L N 3.638 124.817 121.223 -0.073 0.000 2.482 851 L HA 0.487 4.827 4.340 0.000 0.000 0.273 851 L C 1.437 178.197 176.870 -0.184 0.000 1.228 851 L CA 0.653 55.401 54.840 -0.153 0.000 0.827 851 L CB -0.147 41.896 42.059 -0.028 0.000 1.099 851 L HN 0.969 nan 8.230 nan 0.000 0.494 852 G N 0.719 109.177 108.800 -0.569 0.000 2.525 852 G HA2 0.471 4.431 3.960 0.000 0.000 0.287 852 G HA3 0.471 4.431 3.960 0.000 0.000 0.287 852 G C -0.214 174.689 174.900 0.006 0.000 1.350 852 G CA -0.770 44.066 45.100 -0.439 0.000 1.039 852 G HN 0.532 nan 8.290 nan 0.000 0.513 853 R N -1.282 119.176 120.500 -0.069 0.000 2.560 853 R HA 0.486 4.826 4.340 0.000 0.000 0.270 853 R C 0.847 177.276 176.300 0.215 0.000 1.074 853 R CA 0.230 56.319 56.100 -0.018 0.000 1.140 853 R CB 0.884 31.031 30.300 -0.255 0.000 1.073 853 R HN 0.579 nan 8.270 nan 0.000 0.527 854 G N 0.158 109.106 108.800 0.247 0.000 2.606 854 G HA2 0.173 4.133 3.960 0.000 0.000 0.262 854 G HA3 0.173 4.133 3.960 0.000 0.000 0.262 854 G C -0.801 174.196 174.900 0.161 0.000 1.394 854 G CA -0.855 44.377 45.100 0.221 0.000 1.044 854 G HN 0.515 nan 8.290 nan 0.000 0.553 855 R N 0.076 120.657 120.500 0.135 0.000 2.638 855 R HA 0.062 4.402 4.340 0.000 0.000 0.351 855 R C -0.769 175.594 176.300 0.104 0.000 0.871 855 R CA 0.624 56.786 56.100 0.103 0.000 1.091 855 R CB -0.719 29.628 30.300 0.078 0.000 0.900 855 R HN 0.277 nan 8.270 nan 0.000 0.405 856 T N 4.601 119.209 114.554 0.091 0.000 2.864 856 T HA 0.232 4.582 4.350 0.000 0.000 0.310 856 T C -0.436 174.304 174.700 0.068 0.000 1.040 856 T CA -0.639 61.509 62.100 0.080 0.000 0.977 856 T CB 1.452 70.357 68.868 0.062 0.000 0.976 856 T HN 0.232 nan 8.240 nan 0.000 0.459 857 V N 5.324 125.278 119.914 0.066 0.000 2.546 857 V HA 0.538 4.658 4.120 0.000 0.000 0.284 857 V C 0.068 176.197 176.094 0.057 0.000 1.050 857 V CA -0.450 61.886 62.300 0.060 0.000 0.981 857 V CB 0.953 32.808 31.823 0.054 0.000 0.990 857 V HN 0.954 nan 8.190 nan 0.000 0.474 858 Q N 3.157 122.992 119.800 0.060 0.000 2.472 858 Q HA 0.809 5.149 4.340 0.000 0.000 0.281 858 Q C -0.663 175.376 176.000 0.065 0.000 0.997 858 Q CA -0.987 54.851 55.803 0.057 0.000 0.828 858 Q CB 2.569 31.336 28.738 0.050 0.000 1.443 858 Q HN 0.809 nan 8.270 nan 0.000 0.390 859 G N -0.495 108.342 108.800 0.061 0.000 2.704 859 G HA2 0.814 4.774 3.960 0.000 0.000 0.293 859 G HA3 0.814 4.774 3.960 0.000 0.000 0.293 859 G C -1.237 173.691 174.900 0.047 0.000 1.421 859 G CA -0.280 44.859 45.100 0.066 0.000 0.870 859 G HN 0.834 nan 8.290 nan 0.000 0.492 860 G N -1.703 107.125 108.800 0.046 0.000 2.721 860 G HA2 0.716 4.676 3.960 0.000 0.000 0.296 860 G HA3 0.716 4.676 3.960 0.000 0.000 0.296 860 G C -1.788 173.103 174.900 -0.014 0.000 1.383 860 G CA -0.470 44.607 45.100 -0.037 0.000 0.788 860 G HN 1.188 nan 8.290 nan 0.000 0.500 861 V N 0.090 119.951 119.914 -0.088 0.000 2.656 861 V HA 0.672 4.792 4.120 0.000 0.000 0.307 861 V C -0.530 175.585 176.094 0.034 0.000 1.051 861 V CA -0.727 61.579 62.300 0.011 0.000 0.893 861 V CB 1.726 33.568 31.823 0.032 0.000 0.999 861 V HN 0.869 nan 8.190 nan 0.000 0.426 862 E N 2.852 123.142 120.200 0.150 0.000 2.234 862 E HA 0.477 4.827 4.350 0.000 0.000 0.266 862 E C -2.197 174.542 176.600 0.231 0.000 0.877 862 E CA -0.677 55.853 56.400 0.217 0.000 0.758 862 E CB 2.080 31.922 29.700 0.236 0.000 1.170 862 E HN 0.686 nan 8.360 nan 0.000 0.415 863 Y N 4.701 125.077 120.300 0.128 0.000 2.376 863 Y HA 0.407 4.957 4.550 0.000 0.000 0.326 863 Y C -0.775 175.241 175.900 0.193 0.000 0.970 863 Y CA -0.669 57.524 58.100 0.155 0.000 1.248 863 Y CB 0.782 39.340 38.460 0.162 0.000 1.117 863 Y HN 0.485 nan 8.280 nan 0.000 0.476 864 R N 5.482 125.830 120.500 -0.254 0.000 2.573 864 R HA 0.676 5.016 4.340 0.000 0.000 0.272 864 R C -1.310 174.844 176.300 -0.243 0.000 1.009 864 R CA -0.546 55.423 56.100 -0.219 0.000 1.059 864 R CB 1.358 31.594 30.300 -0.107 0.000 1.112 864 R HN 0.683 nan 8.270 nan 0.000 0.517 865 F N 0.000 119.860 119.950 -0.149 0.000 2.286 865 F HA 0.000 4.527 4.527 0.000 0.000 0.279 865 F CA 0.000 57.940 58.000 -0.099 0.000 1.383 865 F CB 0.000 38.971 39.000 -0.049 0.000 1.145 865 F HN 0.000 nan 8.300 nan 0.000 0.574