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 2rhq_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLISNEWLKD YVDAGVKVED LAERITRTGI EVDNMIDYSK DIKNLVVGYI DATA SEQUENCE QSKEKGSXXX XGNICQVDIG EEEPVQIVCG APNVDAGQHV IVAKVGGRLP DATA SEQUENCE GGIKIKRAKL RGERSEGMIC SLQEIGISSN VVPKAYENGI FVFPTEVEPG DATA SEQUENCE TDALTALYLN DQVMEFDLTP NRADALSMVG TAYEVAALYQ TEMTKPETQS DATA SEQUENCE NETSESATNE LSVTIDNPEK VPYYSARVVK NVSIEPSPIW VQARLIKAGI DATA SEQUENCE RPINNVVDIS NYVLLEYGQP LHMFDQDHIG SKEIVVRQAK DEETMTTLDN DATA SEQUENCE NERKLVDTDI VISNGQEPIA LAGVMGGDFS EVTEQTTNVV IEGAIFDPVS DATA SEQUENCE IRHTSRRLNL RSEASSRFEK GIATEFVDEA VDRACYLLQE LASGEVLQDR DATA SEQUENCE VSSGDLGSFV TPIDITAEKV NKTIGFNLSN DEIQSIFRQL GFETTLKGET DATA SEQUENCE LTVNVPSRRK DITIKEDLIE EVARIYGYDE IPSSLPVFGE VTSGELTDRQ DATA SEQUENCE HKTRTLKETL EGAGLNQAIT YSLVSKDHAK DFALQERPTI SLLMPMSEAH DATA SEQUENCE ATLRQSLLPH LIEATAYNVA RKNKDVRLYE IGRVFFGNGE GELPDEVEYL DATA SEQUENCE SGILTGEYVV NAWQGKKEEI DFFIAKGVVD RVAEKLNLEF SYKAGKIEGL DATA SEQUENCE HPGRTAIVSL EGQDIGFIGE LHPQVAADND LKRTYVFELN YDAMMQVAVG DATA SEQUENCE YINYEQIPKF PGVTRDIALE VNHDVPSSEL KQIIHNNGED ILQSTLVFDV DATA SEQUENCE YEXXXXXKGK KSVAIRLNYL DTEDTLTDER VSKIHDKILE ALQAEGATI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.200 176.300 -0.167 0.000 1.140 1 M CA 0.000 55.276 55.300 -0.040 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 L N 5.903 127.031 121.223 -0.158 0.000 2.276 2 L HA 0.636 4.976 4.340 -0.000 0.000 0.286 2 L C -0.870 175.864 176.870 -0.226 0.000 1.024 2 L CA -0.616 54.125 54.840 -0.165 0.000 0.826 2 L CB 1.147 43.183 42.059 -0.040 0.000 1.211 2 L HN 0.547 nan 8.230 nan 0.000 0.422 3 I N 2.524 122.879 120.570 -0.360 0.000 2.354 3 I HA 0.163 4.333 4.170 -0.000 0.000 0.286 3 I C 0.538 176.569 176.117 -0.144 0.000 1.007 3 I CA -0.131 60.967 61.300 -0.337 0.000 1.167 3 I CB 1.484 39.153 38.000 -0.550 0.000 1.320 3 I HN 0.489 nan 8.210 nan 0.000 0.458 4 S N 5.863 121.564 115.700 0.001 0.000 2.505 4 S HA 0.107 4.577 4.470 -0.000 0.000 0.276 4 S C 1.232 175.889 174.600 0.095 0.000 1.274 4 S CA -0.210 58.053 58.200 0.105 0.000 1.053 4 S CB 0.410 63.757 63.200 0.244 0.000 0.919 4 S HN 0.692 nan 8.310 nan 0.000 0.490 5 N N 3.180 121.924 118.700 0.074 0.000 2.013 5 N HA -0.199 4.540 4.740 -0.000 0.000 0.195 5 N C 1.676 177.242 175.510 0.094 0.000 1.051 5 N CA 1.538 54.624 53.050 0.060 0.000 0.851 5 N CB -0.422 38.092 38.487 0.045 0.000 1.044 5 N HN 0.881 nan 8.380 nan 0.000 0.422 6 E N 0.816 121.083 120.200 0.112 0.000 2.170 6 E HA -0.268 4.082 4.350 -0.000 0.000 0.229 6 E C 1.719 178.456 176.600 0.228 0.000 1.074 6 E CA 1.764 58.249 56.400 0.141 0.000 0.930 6 E CB -0.876 28.915 29.700 0.153 0.000 0.806 6 E HN 0.567 nan 8.360 nan 0.000 0.478 7 W N 1.272 122.603 121.300 0.052 0.000 2.381 7 W HA -0.149 4.511 4.660 -0.000 0.000 0.301 7 W C 2.434 179.001 176.519 0.080 0.000 1.205 7 W CA 1.521 58.906 57.345 0.067 0.000 1.285 7 W CB -1.134 28.373 29.460 0.079 0.000 1.133 7 W HN 0.264 nan 8.180 nan 0.000 0.521 8 L N 1.811 123.154 121.223 0.200 0.000 2.131 8 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 8 L C 2.261 179.203 176.870 0.121 0.000 1.092 8 L CA 1.992 56.890 54.840 0.097 0.000 0.759 8 L CB -0.827 41.226 42.059 -0.010 0.000 0.903 8 L HN -0.158 nan 8.230 nan 0.000 0.435 9 K N -0.554 119.887 120.400 0.068 0.000 2.442 9 K HA -0.144 4.176 4.320 -0.000 0.000 0.198 9 K C 1.333 177.896 176.600 -0.062 0.000 1.044 9 K CA 0.906 57.195 56.287 0.003 0.000 0.948 9 K CB -0.119 32.381 32.500 0.000 0.000 0.762 9 K HN 0.371 nan 8.250 nan 0.000 0.472 10 D N -0.514 119.806 120.400 -0.134 0.000 2.219 10 D HA -0.138 4.502 4.640 -0.000 0.000 0.205 10 D C 0.972 176.961 176.300 -0.518 0.000 0.970 10 D CA 1.279 55.043 54.000 -0.393 0.000 0.851 10 D CB 0.094 40.530 40.800 -0.607 0.000 0.943 10 D HN 0.347 nan 8.370 nan 0.000 0.488 11 Y N -1.220 119.023 120.300 -0.096 0.000 2.535 11 Y HA 0.370 4.920 4.550 -0.000 0.000 0.266 11 Y C 0.527 176.339 175.900 -0.147 0.000 1.088 11 Y CA -0.295 57.711 58.100 -0.157 0.000 1.285 11 Y CB 1.132 39.441 38.460 -0.253 0.000 1.166 11 Y HN -0.263 nan 8.280 nan 0.000 0.525 12 V N 0.006 119.934 119.914 0.023 0.000 3.023 12 V HA 0.332 4.451 4.120 -0.000 0.000 0.294 12 V C -2.115 173.957 176.094 -0.038 0.000 1.324 12 V CA -0.809 61.481 62.300 -0.016 0.000 0.979 12 V CB 2.294 34.102 31.823 -0.024 0.000 1.093 12 V HN 0.034 nan 8.190 nan 0.000 0.434 13 D N 3.945 124.314 120.400 -0.052 0.000 2.408 13 D HA 0.648 5.288 4.640 -0.000 0.000 0.243 13 D C 0.464 176.688 176.300 -0.127 0.000 1.075 13 D CA 0.305 54.256 54.000 -0.081 0.000 0.832 13 D CB 2.430 43.191 40.800 -0.064 0.000 1.162 13 D HN 0.766 nan 8.370 nan 0.000 0.515 14 A N 1.919 124.590 122.820 -0.248 0.000 2.132 14 A HA 0.357 4.677 4.320 -0.000 0.000 0.213 14 A C 1.442 178.790 177.584 -0.394 0.000 1.154 14 A CA 0.927 52.644 52.037 -0.534 0.000 0.753 14 A CB 0.063 18.416 19.000 -1.078 0.000 0.826 14 A HN 0.825 nan 8.150 nan 0.000 0.469 15 G N -1.849 106.821 108.800 -0.216 0.000 2.132 15 G HA2 -0.106 3.853 3.960 -0.000 0.000 0.234 15 G HA3 -0.106 3.853 3.960 -0.000 0.000 0.234 15 G C -0.047 174.797 174.900 -0.094 0.000 0.989 15 G CA 0.220 45.254 45.100 -0.110 0.000 0.676 15 G HN 1.037 nan 8.290 nan 0.000 0.522 16 V N 0.829 120.659 119.914 -0.138 0.000 3.049 16 V HA 0.584 4.704 4.120 -0.000 0.000 0.309 16 V C 0.561 176.614 176.094 -0.069 0.000 1.148 16 V CA -0.729 61.516 62.300 -0.090 0.000 0.990 16 V CB 2.184 33.941 31.823 -0.110 0.000 1.039 16 V HN 0.617 nan 8.190 nan 0.000 0.430 17 K N 1.938 122.322 120.400 -0.026 0.000 2.180 17 K HA 0.341 4.661 4.320 -0.000 0.000 0.251 17 K C 0.811 177.407 176.600 -0.005 0.000 1.014 17 K CA -0.156 56.123 56.287 -0.014 0.000 0.913 17 K CB 1.295 33.795 32.500 -0.000 0.000 1.008 17 K HN 0.362 nan 8.250 nan 0.000 0.490 18 V N 1.341 121.258 119.914 0.004 0.000 2.626 18 V HA -0.187 3.933 4.120 -0.000 0.000 0.252 18 V C 1.633 177.748 176.094 0.034 0.000 1.067 18 V CA 1.915 64.225 62.300 0.016 0.000 1.081 18 V CB -0.608 31.230 31.823 0.025 0.000 0.686 18 V HN 0.898 nan 8.190 nan 0.000 0.468 19 E N 0.076 120.295 120.200 0.032 0.000 2.107 19 E HA -0.155 4.194 4.350 -0.000 0.000 0.191 19 E C 1.908 178.537 176.600 0.048 0.000 0.982 19 E CA 1.531 57.954 56.400 0.038 0.000 0.809 19 E CB -0.218 29.499 29.700 0.028 0.000 0.756 19 E HN 0.624 nan 8.360 nan 0.000 0.459 20 D N 0.062 120.492 120.400 0.050 0.000 2.183 20 D HA -0.101 4.539 4.640 -0.000 0.000 0.203 20 D C 1.855 178.229 176.300 0.124 0.000 0.969 20 D CA 0.407 54.453 54.000 0.076 0.000 0.842 20 D CB -0.105 40.742 40.800 0.077 0.000 0.957 20 D HN 0.077 nan 8.370 nan 0.000 0.484 21 L N 1.373 122.655 121.223 0.098 0.000 1.994 21 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 21 L C 2.204 179.154 176.870 0.134 0.000 1.071 21 L CA 1.777 56.691 54.840 0.123 0.000 0.745 21 L CB -0.962 41.117 42.059 0.032 0.000 0.892 21 L HN -0.024 nan 8.230 nan 0.000 0.431 22 A N -0.846 122.037 122.820 0.105 0.000 1.940 22 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 22 A C 2.261 179.892 177.584 0.077 0.000 1.176 22 A CA 1.969 54.072 52.037 0.111 0.000 0.631 22 A CB -0.727 18.330 19.000 0.095 0.000 0.814 22 A HN 0.588 nan 8.150 nan 0.000 0.446 23 E N -0.053 120.186 120.200 0.065 0.000 2.072 23 E HA -0.173 4.177 4.350 -0.000 0.000 0.190 23 E C 2.121 178.731 176.600 0.018 0.000 0.982 23 E CA 1.521 57.943 56.400 0.036 0.000 0.803 23 E CB -0.217 29.503 29.700 0.033 0.000 0.755 23 E HN 0.550 nan 8.360 nan 0.000 0.453 24 R N 0.211 120.734 120.500 0.040 0.000 2.092 24 R HA 0.024 4.363 4.340 -0.000 0.000 0.231 24 R C 2.174 178.461 176.300 -0.022 0.000 1.119 24 R CA 1.508 57.607 56.100 -0.003 0.000 0.970 24 R CB -0.443 29.859 30.300 0.003 0.000 0.864 24 R HN 0.298 nan 8.270 nan 0.000 0.440 25 I N 0.124 120.705 120.570 0.017 0.000 2.179 25 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 25 I C 1.874 177.932 176.117 -0.099 0.000 1.088 25 I CA 1.716 62.989 61.300 -0.046 0.000 1.357 25 I CB -0.541 37.441 38.000 -0.030 0.000 1.051 25 I HN 0.259 nan 8.210 nan 0.000 0.409 26 T N 0.515 115.032 114.554 -0.061 0.000 2.684 26 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 26 T C 2.027 176.675 174.700 -0.087 0.000 1.036 26 T CA 1.401 63.458 62.100 -0.071 0.000 1.148 26 T CB -0.293 68.559 68.868 -0.027 0.000 0.863 26 T HN 0.280 nan 8.240 nan 0.000 0.436 27 R N 0.791 121.246 120.500 -0.075 0.000 2.127 27 R HA -0.072 4.268 4.340 -0.000 0.000 0.238 27 R C 2.435 178.653 176.300 -0.137 0.000 1.134 27 R CA 1.679 57.725 56.100 -0.089 0.000 0.975 27 R CB -0.370 29.886 30.300 -0.073 0.000 0.865 27 R HN 0.516 nan 8.270 nan 0.000 0.447 28 T N -4.343 110.126 114.554 -0.142 0.000 3.105 28 T HA 0.345 4.695 4.350 -0.000 0.000 0.253 28 T C 1.080 175.667 174.700 -0.187 0.000 1.047 28 T CA 0.351 62.350 62.100 -0.169 0.000 0.944 28 T CB 1.304 70.092 68.868 -0.133 0.000 1.016 28 T HN 0.346 nan 8.240 nan 0.000 0.544 29 G N 1.027 109.717 108.800 -0.183 0.000 3.033 29 G HA2 0.026 3.986 3.960 -0.000 0.000 0.208 29 G HA3 0.026 3.986 3.960 -0.000 0.000 0.208 29 G C -0.232 174.568 174.900 -0.166 0.000 1.006 29 G CA -0.603 44.392 45.100 -0.175 0.000 0.808 29 G HN 0.521 nan 8.290 nan 0.000 0.499 30 I N 1.963 122.406 120.570 -0.212 0.000 2.382 30 I HA 0.425 4.595 4.170 -0.000 0.000 0.286 30 I C -0.302 175.663 176.117 -0.252 0.000 1.002 30 I CA -0.819 60.302 61.300 -0.299 0.000 1.135 30 I CB 1.961 39.620 38.000 -0.568 0.000 1.288 30 I HN 0.127 nan 8.210 nan 0.000 0.448 31 E N 6.202 126.314 120.200 -0.148 0.000 2.217 31 E HA 0.184 4.534 4.350 -0.000 0.000 0.279 31 E C -0.954 175.657 176.600 0.019 0.000 1.068 31 E CA -0.301 56.066 56.400 -0.055 0.000 0.882 31 E CB 0.805 30.493 29.700 -0.020 0.000 1.039 31 E HN 0.330 nan 8.360 nan 0.000 0.418 32 V N 6.678 126.630 119.914 0.063 0.000 2.370 32 V HA -0.011 4.109 4.120 -0.000 0.000 0.257 32 V C 1.278 177.435 176.094 0.104 0.000 1.064 32 V CA 0.141 62.543 62.300 0.169 0.000 0.975 32 V CB 0.867 32.805 31.823 0.192 0.000 1.067 32 V HN 0.857 nan 8.190 nan 0.000 0.485 33 D N 4.545 125.008 120.400 0.104 0.000 2.183 33 D HA -0.052 4.587 4.640 -0.000 0.000 0.203 33 D C 0.582 176.914 176.300 0.053 0.000 0.969 33 D CA 1.230 55.269 54.000 0.065 0.000 0.842 33 D CB 0.635 41.471 40.800 0.061 0.000 0.957 33 D HN 0.840 nan 8.370 nan 0.000 0.484 34 N N -1.913 116.822 118.700 0.060 0.000 3.356 34 N HA 0.256 4.996 4.740 -0.000 0.000 0.246 34 N C -1.726 173.808 175.510 0.040 0.000 1.480 34 N CA -0.816 52.259 53.050 0.041 0.000 0.877 34 N CB 1.162 39.663 38.487 0.025 0.000 1.431 34 N HN -0.105 nan 8.380 nan 0.000 0.500 35 M N 0.965 120.582 119.600 0.027 0.000 2.151 35 M HA 0.578 5.058 4.480 -0.000 0.000 0.290 35 M C -2.188 174.117 176.300 0.008 0.000 0.965 35 M CA -0.388 54.929 55.300 0.028 0.000 0.930 35 M CB 1.232 33.850 32.600 0.030 0.000 1.560 35 M HN 0.608 nan 8.290 nan 0.000 0.438 36 I N 4.023 124.603 120.570 0.017 0.000 2.312 36 I HA 0.357 4.527 4.170 -0.000 0.000 0.290 36 I C -0.495 175.603 176.117 -0.032 0.000 1.008 36 I CA -0.372 60.899 61.300 -0.048 0.000 1.226 36 I CB 1.139 39.108 38.000 -0.051 0.000 1.371 36 I HN 0.523 nan 8.210 nan 0.000 0.468 37 D N 4.922 125.259 120.400 -0.104 0.000 2.317 37 D HA 0.180 4.820 4.640 -0.000 0.000 0.234 37 D C 0.178 176.392 176.300 -0.142 0.000 1.112 37 D CA -0.128 53.849 54.000 -0.038 0.000 0.840 37 D CB 0.721 41.505 40.800 -0.027 0.000 1.078 37 D HN 0.398 nan 8.370 nan 0.000 0.486 38 Y N 1.211 121.512 120.300 0.001 0.000 2.523 38 Y HA -0.042 4.507 4.550 -0.000 0.000 0.279 38 Y C 2.393 178.287 175.900 -0.009 0.000 1.139 38 Y CA 0.537 58.634 58.100 -0.005 0.000 1.296 38 Y CB 0.341 38.800 38.460 -0.002 0.000 1.045 38 Y HN 0.420 nan 8.280 nan 0.000 0.538 39 S N -0.347 115.408 115.700 0.092 0.000 2.603 39 S HA -0.039 4.431 4.470 -0.000 0.000 0.220 39 S C 0.674 175.281 174.600 0.011 0.000 0.967 39 S CA -0.350 57.878 58.200 0.047 0.000 0.920 39 S CB -0.357 62.866 63.200 0.039 0.000 0.773 39 S HN 0.215 nan 8.310 nan 0.000 0.529 40 K N 1.790 122.180 120.400 -0.017 0.000 2.379 40 K HA 0.126 4.446 4.320 -0.000 0.000 0.284 40 K C -0.583 176.002 176.600 -0.025 0.000 1.044 40 K CA 0.333 56.603 56.287 -0.029 0.000 0.974 40 K CB -0.009 32.456 32.500 -0.057 0.000 0.962 40 K HN 0.000 nan 8.250 nan 0.000 0.474 41 D N 2.250 122.641 120.400 -0.015 0.000 3.082 41 D HA -0.161 4.478 4.640 -0.000 0.000 0.216 41 D C -1.001 175.295 176.300 -0.006 0.000 1.114 41 D CA 0.984 54.976 54.000 -0.013 0.000 0.886 41 D CB -1.241 39.547 40.800 -0.020 0.000 1.096 41 D HN 0.501 nan 8.370 nan 0.000 0.431 42 I N 0.382 120.951 120.570 -0.001 0.000 2.498 42 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 42 I C -0.011 176.110 176.117 0.007 0.000 1.032 42 I CA -0.632 60.671 61.300 0.005 0.000 1.073 42 I CB 2.348 40.355 38.000 0.011 0.000 1.251 42 I HN -0.210 nan 8.210 nan 0.000 0.426 43 K N 5.397 125.802 120.400 0.009 0.000 2.501 43 K HA 0.413 4.732 4.320 -0.000 0.000 0.252 43 K C -0.818 175.789 176.600 0.012 0.000 0.934 43 K CA -0.483 55.810 56.287 0.009 0.000 0.797 43 K CB 1.265 33.769 32.500 0.006 0.000 1.270 43 K HN 0.609 nan 8.250 nan 0.000 0.431 44 N N 1.423 120.131 118.700 0.013 0.000 2.780 44 N HA -0.198 4.542 4.740 -0.000 0.000 0.247 44 N C -1.445 174.079 175.510 0.023 0.000 1.076 44 N CA 0.517 53.577 53.050 0.016 0.000 0.688 44 N CB -1.102 37.393 38.487 0.013 0.000 0.957 44 N HN 0.486 nan 8.380 nan 0.000 0.551 45 L N 0.436 121.676 121.223 0.028 0.000 2.280 45 L HA 0.675 5.015 4.340 -0.000 0.000 0.287 45 L C 0.004 176.905 176.870 0.053 0.000 1.023 45 L CA -0.756 54.109 54.840 0.042 0.000 0.819 45 L CB 1.518 43.602 42.059 0.042 0.000 1.212 45 L HN 0.084 nan 8.230 nan 0.000 0.420 46 V N 2.817 122.770 119.914 0.064 0.000 3.102 46 V HA 0.678 4.798 4.120 -0.000 0.000 0.312 46 V C -0.557 175.595 176.094 0.097 0.000 1.135 46 V CA -0.931 61.407 62.300 0.064 0.000 1.022 46 V CB 1.898 33.745 31.823 0.040 0.000 1.056 46 V HN 0.328 nan 8.190 nan 0.000 0.436 47 V N 2.057 122.016 119.914 0.074 0.000 2.530 47 V HA 0.693 4.812 4.120 -0.000 0.000 0.282 47 V C 1.065 177.203 176.094 0.073 0.000 1.048 47 V CA 0.850 63.192 62.300 0.071 0.000 0.997 47 V CB 0.709 32.478 31.823 -0.091 0.000 0.987 47 V HN 1.295 nan 8.190 nan 0.000 0.477 48 G N 2.651 111.513 108.800 0.103 0.000 2.453 48 G HA2 0.539 4.499 3.960 -0.000 0.000 0.323 48 G HA3 0.539 4.499 3.960 -0.000 0.000 0.323 48 G C -1.785 173.160 174.900 0.076 0.000 1.198 48 G CA -0.507 44.639 45.100 0.077 0.000 0.959 48 G HN 0.564 nan 8.290 nan 0.000 0.482 49 Y N 1.953 122.175 120.300 -0.128 0.000 2.331 49 Y HA 0.559 5.109 4.550 -0.000 0.000 0.338 49 Y C 0.043 175.839 175.900 -0.174 0.000 0.976 49 Y CA -1.560 56.361 58.100 -0.298 0.000 1.137 49 Y CB 1.024 39.267 38.460 -0.363 0.000 1.172 49 Y HN 0.344 nan 8.280 nan 0.000 0.478 50 I N 7.854 127.927 120.570 -0.827 0.000 2.308 50 I HA 0.081 4.250 4.170 -0.000 0.000 0.293 50 I C 0.849 176.464 176.117 -0.836 0.000 1.078 50 I CA 0.290 61.234 61.300 -0.593 0.000 1.292 50 I CB 1.149 38.944 38.000 -0.340 0.000 1.423 50 I HN 0.779 nan 8.210 nan 0.000 0.493 51 Q N 3.559 123.044 119.800 -0.525 0.000 2.096 51 Q HA -0.022 4.318 4.340 -0.000 0.000 0.197 51 Q C 0.210 176.097 176.000 -0.189 0.000 0.964 51 Q CA 0.861 56.473 55.803 -0.319 0.000 0.838 51 Q CB 0.296 28.984 28.738 -0.084 0.000 0.906 51 Q HN 0.820 nan 8.270 nan 0.000 0.444 52 S N -0.744 114.864 115.700 -0.154 0.000 2.550 52 S HA 0.558 5.028 4.470 -0.000 0.000 0.270 52 S C -1.260 173.286 174.600 -0.089 0.000 1.145 52 S CA -1.091 57.051 58.200 -0.097 0.000 0.852 52 S CB 2.548 65.714 63.200 -0.056 0.000 1.119 52 S HN 0.048 nan 8.310 nan 0.000 0.465 53 K N 0.806 121.165 120.400 -0.067 0.000 2.541 53 K HA 0.391 4.711 4.320 -0.000 0.000 0.250 53 K C -1.553 175.025 176.600 -0.037 0.000 0.950 53 K CA -0.150 56.104 56.287 -0.054 0.000 0.805 53 K CB 1.986 34.452 32.500 -0.057 0.000 1.166 53 K HN 0.847 nan 8.250 nan 0.000 0.430 54 E N 2.908 123.090 120.200 -0.030 0.000 2.179 54 E HA 0.202 4.552 4.350 -0.000 0.000 0.275 54 E C -0.578 176.011 176.600 -0.018 0.000 0.945 54 E CA -0.389 55.998 56.400 -0.021 0.000 0.792 54 E CB 1.163 30.852 29.700 -0.018 0.000 1.125 54 E HN 0.537 nan 8.360 nan 0.000 0.397 55 K N 1.658 122.049 120.400 -0.015 0.000 2.826 55 K HA 0.273 4.593 4.320 -0.000 0.000 0.206 55 K C 0.563 177.158 176.600 -0.009 0.000 1.116 55 K CA -0.425 55.854 56.287 -0.012 0.000 1.045 55 K CB 0.894 33.386 32.500 -0.012 0.000 0.758 55 K HN 0.448 nan 8.250 nan 0.000 0.465 56 G N 0.277 109.071 108.800 -0.009 0.000 3.340 56 G HA2 0.114 4.074 3.960 -0.000 0.000 0.240 56 G HA3 0.114 4.074 3.960 -0.000 0.000 0.240 56 G C -0.362 174.535 174.900 -0.006 0.000 1.327 56 G CA -0.010 45.085 45.100 -0.007 0.000 1.170 56 G HN 0.295 nan 8.290 nan 0.000 0.520 63 N N 1.336 120.030 118.700 -0.009 0.000 2.439 63 N HA 0.317 5.056 4.740 -0.000 0.000 0.243 63 N C -0.209 175.291 175.510 -0.016 0.000 1.088 63 N CA -0.095 52.947 53.050 -0.014 0.000 0.940 63 N CB 0.878 39.357 38.487 -0.014 0.000 1.180 63 N HN 0.293 nan 8.380 nan 0.000 0.505 64 I N 2.481 123.040 120.570 -0.019 0.000 2.321 64 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 64 I C 0.205 176.305 176.117 -0.029 0.000 0.998 64 I CA -0.502 60.786 61.300 -0.020 0.000 1.227 64 I CB 0.558 38.548 38.000 -0.017 0.000 1.368 64 I HN 0.197 nan 8.210 nan 0.000 0.466 65 C N 5.514 124.794 119.300 -0.033 0.000 2.417 65 C HA 0.444 4.903 4.460 -0.000 0.000 0.324 65 C C 0.180 175.140 174.990 -0.050 0.000 1.240 65 C CA -0.749 58.239 59.018 -0.050 0.000 1.632 65 C CB 1.680 29.386 27.740 -0.056 0.000 2.241 65 C HN 0.590 nan 8.230 nan 0.000 0.499 66 Q N 2.071 121.833 119.800 -0.063 0.000 2.314 66 Q HA 0.569 4.909 4.340 -0.000 0.000 0.259 66 Q C -0.855 175.097 176.000 -0.080 0.000 0.951 66 Q CA -0.156 55.613 55.803 -0.055 0.000 0.909 66 Q CB 1.784 30.495 28.738 -0.045 0.000 1.236 66 Q HN 0.587 nan 8.270 nan 0.000 0.444 67 V N 2.297 122.178 119.914 -0.055 0.000 2.483 67 V HA 0.138 4.258 4.120 -0.000 0.000 0.297 67 V C -0.310 175.775 176.094 -0.014 0.000 1.027 67 V CA -0.997 61.267 62.300 -0.061 0.000 0.855 67 V CB 2.046 33.842 31.823 -0.044 0.000 0.995 67 V HN 0.601 nan 8.190 nan 0.000 0.424 68 D N 4.774 125.183 120.400 0.015 0.000 2.358 68 D HA 0.179 4.819 4.640 -0.000 0.000 0.258 68 D C 0.648 176.979 176.300 0.052 0.000 1.223 68 D CA -0.077 53.958 54.000 0.058 0.000 0.886 68 D CB 0.931 41.809 40.800 0.130 0.000 1.120 68 D HN 0.651 nan 8.370 nan 0.000 0.482 69 I N 0.737 121.327 120.570 0.034 0.000 3.762 69 I HA 0.448 4.618 4.170 -0.000 0.000 0.333 69 I C 1.072 177.203 176.117 0.024 0.000 1.566 69 I CA -0.510 60.808 61.300 0.031 0.000 1.129 69 I CB 0.205 38.220 38.000 0.025 0.000 1.218 69 I HN 0.452 nan 8.210 nan 0.000 0.456 70 G N 0.993 109.808 108.800 0.024 0.000 2.162 70 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 70 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 70 G C -0.020 174.885 174.900 0.009 0.000 0.976 70 G CA 0.466 45.574 45.100 0.013 0.000 0.655 70 G HN 0.649 nan 8.290 nan 0.000 0.533 71 E N -0.768 119.438 120.200 0.011 0.000 2.330 71 E HA 0.483 4.833 4.350 -0.000 0.000 0.256 71 E C 1.194 177.798 176.600 0.007 0.000 1.146 71 E CA -0.467 55.938 56.400 0.007 0.000 0.945 71 E CB 0.526 30.230 29.700 0.007 0.000 1.182 71 E HN 0.024 nan 8.360 nan 0.000 0.480 72 E N 0.801 121.003 120.200 0.004 0.000 2.065 72 E HA -0.189 4.161 4.350 -0.000 0.000 0.201 72 E C -0.213 176.390 176.600 0.006 0.000 1.016 72 E CA 1.639 58.041 56.400 0.004 0.000 0.818 72 E CB 0.188 29.890 29.700 0.002 0.000 0.749 72 E HN 0.279 nan 8.360 nan 0.000 0.453 73 E N -0.095 120.108 120.200 0.006 0.000 2.256 73 E HA 0.365 4.715 4.350 -0.000 0.000 0.267 73 E C -2.378 174.226 176.600 0.007 0.000 0.892 73 E CA -2.310 54.094 56.400 0.006 0.000 0.775 73 E CB 1.355 31.057 29.700 0.003 0.000 1.207 73 E HN 0.009 nan 8.360 nan 0.000 0.420 74 P HA 0.006 nan 4.420 nan 0.000 0.268 74 P C -0.503 176.797 177.300 -0.000 0.000 1.208 74 P CA -0.252 62.851 63.100 0.005 0.000 0.777 74 P CB 0.441 32.142 31.700 0.001 0.000 0.875 75 V N -0.524 119.389 119.914 -0.002 0.000 2.547 75 V HA 0.460 4.580 4.120 -0.000 0.000 0.299 75 V C -0.202 175.886 176.094 -0.010 0.000 1.040 75 V CA -1.048 61.250 62.300 -0.004 0.000 0.913 75 V CB 1.421 33.244 31.823 0.000 0.000 0.992 75 V HN 0.473 nan 8.190 nan 0.000 0.449 76 Q N 3.019 122.813 119.800 -0.010 0.000 2.288 76 Q HA 0.601 4.941 4.340 -0.000 0.000 0.258 76 Q C -1.069 174.924 176.000 -0.011 0.000 0.957 76 Q CA -0.217 55.578 55.803 -0.013 0.000 0.919 76 Q CB 0.982 29.713 28.738 -0.011 0.000 1.185 76 Q HN 0.847 nan 8.270 nan 0.000 0.408 77 I N 4.574 125.136 120.570 -0.015 0.000 2.468 77 I HA 0.242 4.412 4.170 -0.000 0.000 0.285 77 I C -0.744 175.366 176.117 -0.012 0.000 1.039 77 I CA -1.153 60.140 61.300 -0.010 0.000 1.074 77 I CB 1.975 39.970 38.000 -0.009 0.000 1.228 77 I HN 0.396 nan 8.210 nan 0.000 0.436 78 V N 5.165 125.074 119.914 -0.008 0.000 2.470 78 V HA 0.087 4.207 4.120 -0.000 0.000 0.276 78 V C 0.051 176.142 176.094 -0.005 0.000 1.040 78 V CA -0.150 62.146 62.300 -0.007 0.000 1.008 78 V CB 1.052 32.872 31.823 -0.005 0.000 0.990 78 V HN 0.873 nan 8.190 nan 0.000 0.477 79 C N 4.374 123.670 119.300 -0.006 0.000 2.432 79 C HA 0.661 5.120 4.460 -0.000 0.000 0.334 79 C C 1.315 176.304 174.990 -0.001 0.000 1.155 79 C CA -0.189 58.828 59.018 -0.002 0.000 1.335 79 C CB 0.541 28.279 27.740 -0.003 0.000 1.964 79 C HN 1.068 nan 8.230 nan 0.000 0.444 80 G N 3.712 112.514 108.800 0.002 0.000 3.155 80 G HA2 0.429 4.388 3.960 -0.000 0.000 0.213 80 G HA3 0.429 4.388 3.960 -0.000 0.000 0.213 80 G C 0.596 175.500 174.900 0.005 0.000 1.196 80 G CA 0.698 45.800 45.100 0.003 0.000 0.846 80 G HN 1.316 nan 8.290 nan 0.000 0.516 81 A N 0.618 123.442 122.820 0.007 0.000 2.301 81 A HA 0.670 4.990 4.320 -0.000 0.000 0.312 81 A C -1.226 176.365 177.584 0.011 0.000 1.182 81 A CA -1.491 50.554 52.037 0.013 0.000 0.826 81 A CB 1.505 20.517 19.000 0.020 0.000 1.134 81 A HN 0.044 nan 8.150 nan 0.000 0.501 82 P HA -0.064 nan 4.420 nan 0.000 0.234 82 P C 0.553 177.859 177.300 0.009 0.000 1.167 82 P CA 1.096 64.201 63.100 0.009 0.000 0.763 82 P CB 0.191 31.897 31.700 0.010 0.000 0.835 83 N N -1.897 116.812 118.700 0.016 0.000 2.159 83 N HA 0.021 4.761 4.740 -0.000 0.000 0.217 83 N C -0.034 175.482 175.510 0.010 0.000 1.223 83 N CA -0.076 52.985 53.050 0.019 0.000 0.896 83 N CB -0.171 38.341 38.487 0.041 0.000 1.064 83 N HN -0.069 nan 8.380 nan 0.000 0.518 84 V N 1.257 121.172 119.914 0.002 0.000 2.637 84 V HA 0.266 4.386 4.120 -0.000 0.000 0.296 84 V C -0.711 175.367 176.094 -0.027 0.000 1.046 84 V CA 0.422 62.714 62.300 -0.014 0.000 1.066 84 V CB 0.836 32.651 31.823 -0.014 0.000 0.968 84 V HN 0.280 nan 8.190 nan 0.000 0.483 85 D N 3.424 123.797 120.400 -0.045 0.000 2.599 85 D HA 0.599 5.238 4.640 -0.000 0.000 0.252 85 D C -0.423 175.818 176.300 -0.099 0.000 1.232 85 D CA 0.220 54.187 54.000 -0.056 0.000 0.819 85 D CB 2.273 43.052 40.800 -0.036 0.000 1.401 85 D HN 0.842 nan 8.370 nan 0.000 0.429 86 A N -0.366 122.387 122.820 -0.111 0.000 2.448 86 A HA 0.508 4.828 4.320 -0.000 0.000 0.239 86 A C 1.351 178.837 177.584 -0.163 0.000 1.080 86 A CA 1.224 53.153 52.037 -0.181 0.000 0.779 86 A CB -0.220 18.701 19.000 -0.132 0.000 1.026 86 A HN 1.243 nan 8.150 nan 0.000 0.499 87 G N -0.440 108.196 108.800 -0.273 0.000 2.268 87 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.240 87 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.240 87 G C 0.305 175.239 174.900 0.057 0.000 1.010 87 G CA 0.559 45.648 45.100 -0.018 0.000 0.618 87 G HN 0.933 nan 8.290 nan 0.000 0.516 88 Q N 1.428 121.165 119.800 -0.105 0.000 2.288 88 Q HA 0.353 4.693 4.340 -0.000 0.000 0.258 88 Q C -0.130 175.865 176.000 -0.007 0.000 0.957 88 Q CA -0.439 55.362 55.803 -0.004 0.000 0.919 88 Q CB 0.488 29.202 28.738 -0.041 0.000 1.185 88 Q HN 0.585 nan 8.270 nan 0.000 0.408 89 H N 1.633 120.805 119.070 0.171 0.000 2.683 89 H HA 0.267 4.823 4.556 -0.000 0.000 0.339 89 H C 0.189 175.683 175.328 0.276 0.000 1.081 89 H CA -0.106 56.049 56.048 0.178 0.000 1.432 89 H CB 0.785 30.580 29.762 0.055 0.000 1.462 89 H HN 0.442 nan 8.280 nan 0.000 0.557 90 V N 0.943 121.081 119.914 0.374 0.000 3.165 90 V HA 0.527 4.647 4.120 -0.000 0.000 0.309 90 V C -0.376 175.979 176.094 0.435 0.000 1.267 90 V CA -1.206 61.309 62.300 0.359 0.000 1.067 90 V CB 2.037 33.942 31.823 0.137 0.000 1.082 90 V HN 0.515 nan 8.190 nan 0.000 0.451 91 I N 1.240 121.999 120.570 0.314 0.000 2.321 91 I HA 0.584 4.753 4.170 -0.000 0.000 0.291 91 I C -0.653 175.547 176.117 0.137 0.000 0.998 91 I CA -0.741 60.707 61.300 0.247 0.000 1.227 91 I CB 1.651 39.747 38.000 0.161 0.000 1.368 91 I HN 0.398 nan 8.210 nan 0.000 0.466 92 V N 5.983 125.966 119.914 0.116 0.000 2.384 92 V HA 0.510 4.630 4.120 -0.000 0.000 0.287 92 V C 0.407 176.535 176.094 0.056 0.000 1.020 92 V CA -0.677 61.665 62.300 0.071 0.000 0.850 92 V CB 1.623 33.481 31.823 0.058 0.000 0.987 92 V HN 0.829 nan 8.190 nan 0.000 0.436 93 A N 5.911 128.756 122.820 0.042 0.000 2.350 93 A HA 0.429 4.749 4.320 -0.000 0.000 0.293 93 A C 0.423 178.021 177.584 0.024 0.000 1.231 93 A CA -0.312 51.743 52.037 0.030 0.000 0.883 93 A CB -0.147 18.867 19.000 0.024 0.000 1.133 93 A HN 0.825 nan 8.150 nan 0.000 0.533 94 K N 1.417 121.830 120.400 0.022 0.000 2.336 94 K HA 0.244 4.564 4.320 -0.000 0.000 0.262 94 K C 0.069 176.677 176.600 0.013 0.000 0.992 94 K CA -0.411 55.886 56.287 0.017 0.000 0.927 94 K CB 0.563 33.073 32.500 0.016 0.000 0.956 94 K HN 0.456 nan 8.250 nan 0.000 0.495 95 V N 1.577 121.496 119.914 0.010 0.000 2.694 95 V HA 0.004 4.124 4.120 -0.000 0.000 0.306 95 V C 1.415 177.513 176.094 0.007 0.000 1.054 95 V CA 1.732 64.037 62.300 0.007 0.000 1.161 95 V CB 0.364 32.190 31.823 0.006 0.000 0.916 95 V HN 1.126 nan 8.190 nan 0.000 0.490 96 G N 3.243 112.046 108.800 0.006 0.000 2.176 96 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.253 96 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.253 96 G C 0.441 175.345 174.900 0.006 0.000 0.979 96 G CA -0.081 45.022 45.100 0.005 0.000 0.641 96 G HN 1.395 nan 8.290 nan 0.000 0.530 97 G N -0.663 108.142 108.800 0.008 0.000 2.437 97 G HA2 0.673 4.633 3.960 -0.000 0.000 0.319 97 G HA3 0.673 4.633 3.960 -0.000 0.000 0.319 97 G C -0.267 174.637 174.900 0.007 0.000 1.158 97 G CA -0.707 44.398 45.100 0.009 0.000 0.899 97 G HN 0.321 nan 8.290 nan 0.000 0.502 98 R N 0.136 120.640 120.500 0.007 0.000 2.686 98 R HA 0.580 4.920 4.340 -0.000 0.000 0.286 98 R C -0.994 175.309 176.300 0.005 0.000 0.969 98 R CA -0.665 55.438 56.100 0.005 0.000 0.898 98 R CB 2.073 32.375 30.300 0.002 0.000 1.183 98 R HN 0.405 nan 8.270 nan 0.000 0.456 99 L N 2.215 123.440 121.223 0.003 0.000 2.350 99 L HA 0.547 4.887 4.340 -0.000 0.000 0.260 99 L C -2.258 174.610 176.870 -0.003 0.000 1.015 99 L CA -2.455 52.386 54.840 0.002 0.000 0.821 99 L CB 2.444 44.506 42.059 0.005 0.000 1.370 99 L HN 0.232 nan 8.230 nan 0.000 0.416 100 P HA 0.011 nan 4.420 nan 0.000 0.270 100 P C 0.603 177.897 177.300 -0.009 0.000 1.216 100 P CA 0.748 63.840 63.100 -0.014 0.000 0.788 100 P CB 0.379 32.067 31.700 -0.020 0.000 0.883 101 G N 0.254 109.048 108.800 -0.011 0.000 2.153 101 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.252 101 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.252 101 G C 0.689 175.586 174.900 -0.005 0.000 0.994 101 G CA 0.503 45.599 45.100 -0.008 0.000 0.698 101 G HN 1.055 nan 8.290 nan 0.000 0.521 102 G N -0.799 107.997 108.800 -0.006 0.000 2.359 102 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.298 102 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.298 102 G C 0.213 175.112 174.900 -0.001 0.000 1.030 102 G CA 0.449 45.546 45.100 -0.004 0.000 1.149 102 G HN 1.279 nan 8.290 nan 0.000 0.512 103 I N -0.212 120.357 120.570 -0.001 0.000 2.392 103 I HA 0.386 4.555 4.170 -0.000 0.000 0.295 103 I C 0.492 176.611 176.117 0.002 0.000 0.985 103 I CA -0.443 60.858 61.300 0.002 0.000 1.221 103 I CB 1.694 39.696 38.000 0.003 0.000 1.366 103 I HN 0.068 nan 8.210 nan 0.000 0.467 104 K N 6.031 126.433 120.400 0.003 0.000 2.292 104 K HA 0.516 4.836 4.320 -0.000 0.000 0.257 104 K C -1.102 175.501 176.600 0.005 0.000 0.940 104 K CA -0.783 55.506 56.287 0.003 0.000 0.811 104 K CB 2.210 34.711 32.500 0.002 0.000 1.120 104 K HN 0.320 nan 8.250 nan 0.000 0.428 105 I N 3.849 124.422 120.570 0.006 0.000 2.297 105 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 105 I C -0.160 175.960 176.117 0.006 0.000 1.033 105 I CA -0.582 60.722 61.300 0.007 0.000 1.253 105 I CB 0.677 38.683 38.000 0.009 0.000 1.396 105 I HN 0.427 nan 8.210 nan 0.000 0.476 106 K N 4.965 125.367 120.400 0.005 0.000 2.207 106 K HA 0.486 4.806 4.320 -0.000 0.000 0.255 106 K C 0.032 176.634 176.600 0.003 0.000 0.941 106 K CA -0.944 55.345 56.287 0.004 0.000 0.825 106 K CB 1.839 34.340 32.500 0.003 0.000 1.119 106 K HN 0.336 nan 8.250 nan 0.000 0.430 107 R N 1.331 121.833 120.500 0.003 0.000 2.505 107 R HA 0.019 4.359 4.340 -0.000 0.000 0.274 107 R C -0.726 175.575 176.300 0.002 0.000 0.955 107 R CA 0.806 56.908 56.100 0.002 0.000 1.109 107 R CB 0.167 30.468 30.300 0.002 0.000 0.890 107 R HN 0.735 nan 8.270 nan 0.000 0.415 108 A N 3.429 126.250 122.820 0.001 0.000 2.557 108 A HA 0.572 4.892 4.320 -0.000 0.000 0.292 108 A C -1.477 176.107 177.584 0.000 0.000 1.139 108 A CA -0.799 51.238 52.037 0.001 0.000 0.665 108 A CB 1.648 20.649 19.000 0.001 0.000 1.285 108 A HN 0.589 nan 8.150 nan 0.000 0.433 109 K N 0.283 120.683 120.400 -0.000 0.000 2.578 109 K HA 0.580 4.900 4.320 -0.000 0.000 0.250 109 K C -1.967 174.633 176.600 -0.001 0.000 0.955 109 K CA -0.286 56.000 56.287 -0.001 0.000 0.825 109 K CB 1.716 34.216 32.500 -0.001 0.000 1.151 109 K HN 0.491 nan 8.250 nan 0.000 0.432 110 L N 4.018 125.240 121.223 -0.001 0.000 2.307 110 L HA 0.419 4.759 4.340 -0.000 0.000 0.284 110 L C 0.290 177.159 176.870 -0.002 0.000 1.023 110 L CA -0.475 54.364 54.840 -0.001 0.000 0.810 110 L CB 1.293 43.351 42.059 -0.001 0.000 1.231 110 L HN 0.521 nan 8.230 nan 0.000 0.423 111 R N 2.994 123.493 120.500 -0.001 0.000 3.184 111 R HA -0.245 4.095 4.340 -0.000 0.000 0.242 111 R C 0.838 177.137 176.300 -0.002 0.000 0.907 111 R CA 0.741 56.840 56.100 -0.002 0.000 0.618 111 R CB -2.489 27.810 30.300 -0.002 0.000 1.016 111 R HN 1.149 nan 8.270 nan 0.000 0.469 112 G N -0.741 108.058 108.800 -0.002 0.000 2.143 112 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.248 112 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.248 112 G C -0.141 174.757 174.900 -0.003 0.000 0.991 112 G CA 0.656 45.754 45.100 -0.002 0.000 0.689 112 G HN 0.554 nan 8.290 nan 0.000 0.522 113 E N -0.287 119.911 120.200 -0.003 0.000 2.256 113 E HA 0.408 4.758 4.350 -0.000 0.000 0.268 113 E C 0.202 176.800 176.600 -0.003 0.000 0.877 113 E CA -1.075 55.323 56.400 -0.004 0.000 0.757 113 E CB 1.568 31.265 29.700 -0.005 0.000 1.183 113 E HN 0.318 nan 8.360 nan 0.000 0.418 114 R N 0.987 121.484 120.500 -0.004 0.000 2.583 114 R HA 0.057 4.397 4.340 -0.000 0.000 0.274 114 R C -0.201 176.097 176.300 -0.004 0.000 0.998 114 R CA 0.527 56.625 56.100 -0.003 0.000 1.081 114 R CB 0.217 30.515 30.300 -0.003 0.000 0.940 114 R HN 0.412 nan 8.270 nan 0.000 0.413 115 S N 1.493 117.191 115.700 -0.002 0.000 2.605 115 S HA 0.281 4.751 4.470 -0.000 0.000 0.308 115 S C -0.667 173.933 174.600 -0.000 0.000 1.113 115 S CA -1.190 57.009 58.200 -0.002 0.000 1.049 115 S CB 1.815 65.015 63.200 -0.001 0.000 1.001 115 S HN 0.532 nan 8.310 nan 0.000 0.480 116 E N 2.181 122.381 120.200 -0.000 0.000 2.427 116 E HA 0.591 4.940 4.350 -0.000 0.000 0.259 116 E C 0.645 177.247 176.600 0.004 0.000 1.267 116 E CA -0.055 56.346 56.400 0.002 0.000 1.425 116 E CB 0.377 30.078 29.700 0.001 0.000 1.482 116 E HN 1.052 nan 8.360 nan 0.000 0.460 117 G N 0.707 109.511 108.800 0.005 0.000 2.293 117 G HA2 0.065 4.025 3.960 -0.000 0.000 0.282 117 G HA3 0.065 4.025 3.960 -0.000 0.000 0.282 117 G C -1.402 173.504 174.900 0.010 0.000 1.299 117 G CA -0.538 44.567 45.100 0.009 0.000 1.018 117 G HN 0.229 nan 8.290 nan 0.000 0.478 118 M N -0.412 119.198 119.600 0.015 0.000 2.470 118 M HA 0.795 5.275 4.480 -0.000 0.000 0.285 118 M C -1.867 174.448 176.300 0.026 0.000 1.213 118 M CA -0.927 54.383 55.300 0.017 0.000 0.901 118 M CB 2.069 34.678 32.600 0.016 0.000 1.718 118 M HN 0.576 nan 8.290 nan 0.000 0.469 119 I N 3.013 123.598 120.570 0.025 0.000 2.377 119 I HA 0.471 4.641 4.170 -0.000 0.000 0.293 119 I C -0.891 175.251 176.117 0.040 0.000 0.987 119 I CA -0.464 60.858 61.300 0.037 0.000 1.185 119 I CB 1.728 39.743 38.000 0.025 0.000 1.341 119 I HN 0.745 nan 8.210 nan 0.000 0.455 120 C N 3.687 123.020 119.300 0.054 0.000 2.435 120 C HA 0.596 5.055 4.460 -0.000 0.000 0.333 120 C C 0.657 175.682 174.990 0.059 0.000 1.202 120 C CA -0.824 58.222 59.018 0.046 0.000 1.830 120 C CB 1.141 28.902 27.740 0.036 0.000 2.326 120 C HN 0.841 nan 8.230 nan 0.000 0.507 121 S N 1.624 117.356 115.700 0.052 0.000 2.624 121 S HA 0.364 4.833 4.470 -0.000 0.000 0.263 121 S C 0.841 175.458 174.600 0.029 0.000 1.287 121 S CA -0.512 57.728 58.200 0.067 0.000 0.990 121 S CB 0.307 63.544 63.200 0.062 0.000 0.950 121 S HN 0.647 nan 8.310 nan 0.000 0.561 122 L N 0.642 121.880 121.223 0.024 0.000 2.072 122 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 122 L C 2.910 179.773 176.870 -0.012 0.000 1.079 122 L CA 1.294 56.102 54.840 -0.054 0.000 0.752 122 L CB -0.825 41.188 42.059 -0.076 0.000 0.906 122 L HN 0.727 nan 8.230 nan 0.000 0.436 123 Q N 0.208 120.019 119.800 0.018 0.000 2.173 123 Q HA -0.273 4.067 4.340 -0.000 0.000 0.208 123 Q C 1.884 177.891 176.000 0.011 0.000 0.989 123 Q CA 1.803 57.617 55.803 0.019 0.000 0.872 123 Q CB -0.195 28.559 28.738 0.026 0.000 0.909 123 Q HN 0.489 nan 8.270 nan 0.000 0.420 124 E N -0.147 120.060 120.200 0.012 0.000 2.435 124 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 124 E C 1.164 177.766 176.600 0.003 0.000 1.029 124 E CA 0.521 56.926 56.400 0.009 0.000 0.865 124 E CB 0.092 29.801 29.700 0.015 0.000 0.833 124 E HN 0.597 nan 8.360 nan 0.000 0.510 125 I N -4.380 116.189 120.570 -0.003 0.000 3.904 125 I HA 0.452 4.622 4.170 -0.000 0.000 0.333 125 I C 1.024 177.143 176.117 0.003 0.000 1.361 125 I CA 0.133 61.432 61.300 -0.003 0.000 1.116 125 I CB 0.681 38.673 38.000 -0.013 0.000 1.028 125 I HN 0.024 nan 8.210 nan 0.000 0.398 126 G N 1.409 110.210 108.800 0.001 0.000 2.192 126 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.193 126 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.193 126 G C -0.061 174.846 174.900 0.011 0.000 0.999 126 G CA -0.385 44.710 45.100 -0.009 0.000 0.659 126 G HN 0.218 nan 8.290 nan 0.000 0.503 127 I N 2.123 122.713 120.570 0.034 0.000 2.474 127 I HA 0.449 4.619 4.170 -0.000 0.000 0.287 127 I C 1.165 177.306 176.117 0.039 0.000 1.048 127 I CA -0.529 60.806 61.300 0.059 0.000 1.383 127 I CB 1.176 39.197 38.000 0.036 0.000 1.412 127 I HN 0.222 nan 8.210 nan 0.000 0.531 128 S N 3.944 119.672 115.700 0.047 0.000 2.528 128 S HA 0.111 4.581 4.470 -0.000 0.000 0.277 128 S C 1.387 176.007 174.600 0.033 0.000 1.297 128 S CA -0.326 57.894 58.200 0.033 0.000 1.052 128 S CB 0.651 63.870 63.200 0.033 0.000 0.917 128 S HN 0.609 nan 8.310 nan 0.000 0.492 129 S N 4.780 120.496 115.700 0.028 0.000 2.409 129 S HA -0.196 4.273 4.470 -0.000 0.000 0.237 129 S C 1.712 176.325 174.600 0.023 0.000 1.060 129 S CA 2.032 60.248 58.200 0.027 0.000 1.052 129 S CB -0.735 62.478 63.200 0.021 0.000 0.871 129 S HN 0.862 nan 8.310 nan 0.000 0.465 130 N N 0.612 119.325 118.700 0.021 0.000 2.247 130 N HA -0.116 4.624 4.740 -0.000 0.000 0.189 130 N C 1.282 176.803 175.510 0.019 0.000 1.009 130 N CA 1.543 54.604 53.050 0.019 0.000 0.872 130 N CB -0.161 38.339 38.487 0.021 0.000 0.980 130 N HN 0.561 nan 8.380 nan 0.000 0.436 131 V N -4.594 115.335 119.914 0.025 0.000 3.398 131 V HA 0.348 4.467 4.120 -0.000 0.000 0.298 131 V C 0.346 176.456 176.094 0.026 0.000 1.496 131 V CA -0.387 61.927 62.300 0.023 0.000 1.044 131 V CB 0.093 31.933 31.823 0.028 0.000 0.880 131 V HN -0.234 nan 8.190 nan 0.000 0.443 132 V N 3.850 123.786 119.914 0.036 0.000 2.521 132 V HA 0.281 4.401 4.120 -0.000 0.000 0.286 132 V C -1.968 174.153 176.094 0.045 0.000 1.034 132 V CA -0.978 61.361 62.300 0.064 0.000 1.045 132 V CB 0.753 32.622 31.823 0.076 0.000 0.974 132 V HN 0.371 nan 8.190 nan 0.000 0.480 133 P HA 0.089 nan 4.420 nan 0.000 0.266 133 P C 0.717 177.929 177.300 -0.147 0.000 1.195 133 P CA -0.253 62.809 63.100 -0.063 0.000 0.768 133 P CB 0.517 32.154 31.700 -0.106 0.000 0.838 134 K N 2.884 123.194 120.400 -0.150 0.000 2.089 134 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 134 K C 1.897 178.374 176.600 -0.204 0.000 1.048 134 K CA 2.153 58.358 56.287 -0.136 0.000 0.926 134 K CB -1.245 31.187 32.500 -0.112 0.000 0.714 134 K HN 0.530 nan 8.250 nan 0.000 0.448 135 A N 0.462 123.045 122.820 -0.396 0.000 1.917 135 A HA -0.190 4.129 4.320 -0.000 0.000 0.219 135 A C 1.468 178.850 177.584 -0.336 0.000 1.182 135 A CA 1.722 53.466 52.037 -0.488 0.000 0.633 135 A CB -0.644 17.853 19.000 -0.838 0.000 0.819 135 A HN 0.388 nan 8.150 nan 0.000 0.448 136 Y N -1.129 119.175 120.300 0.008 0.000 2.507 136 Y HA 0.336 4.886 4.550 -0.001 0.000 0.254 136 Y C 1.709 177.632 175.900 0.038 0.000 1.171 136 Y CA -0.228 57.890 58.100 0.030 0.000 1.238 136 Y CB -0.541 37.976 38.460 0.095 0.000 1.148 136 Y HN 0.479 nan 8.280 nan 0.000 0.525 137 E N 1.552 121.800 120.200 0.080 0.000 2.058 137 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 137 E C 1.033 177.669 176.600 0.060 0.000 0.997 137 E CA 1.825 58.263 56.400 0.062 0.000 0.801 137 E CB -0.009 29.699 29.700 0.013 0.000 0.746 137 E HN 0.300 nan 8.360 nan 0.000 0.450 138 N N -0.645 118.082 118.700 0.046 0.000 2.214 138 N HA 0.161 4.901 4.740 -0.000 0.000 0.214 138 N C 0.130 175.668 175.510 0.046 0.000 1.132 138 N CA 0.612 53.684 53.050 0.038 0.000 0.856 138 N CB 1.578 40.077 38.487 0.020 0.000 1.020 138 N HN 0.195 nan 8.380 nan 0.000 0.509 139 G N 0.635 109.478 108.800 0.072 0.000 3.340 139 G HA2 0.527 4.487 3.960 -0.000 0.000 0.176 139 G HA3 0.527 4.487 3.960 -0.000 0.000 0.176 139 G C -0.433 174.525 174.900 0.096 0.000 1.103 139 G CA -0.420 44.722 45.100 0.071 0.000 0.779 139 G HN 0.103 nan 8.290 nan 0.000 0.673 140 I N -1.755 118.868 120.570 0.088 0.000 2.924 140 I HA 0.750 4.919 4.170 -0.000 0.000 0.316 140 I C -0.513 175.647 176.117 0.072 0.000 1.014 140 I CA -1.305 60.043 61.300 0.080 0.000 1.106 140 I CB 1.433 39.461 38.000 0.046 0.000 1.311 140 I HN 0.301 nan 8.210 nan 0.000 0.502 141 F N 3.202 123.065 119.950 -0.146 0.000 2.384 141 F HA 0.704 5.231 4.527 -0.000 0.000 0.338 141 F C -0.588 174.969 175.800 -0.406 0.000 1.103 141 F CA -0.306 57.432 58.000 -0.437 0.000 1.157 141 F CB 1.110 39.841 39.000 -0.448 0.000 1.167 141 F HN 0.267 nan 8.300 nan 0.000 0.529 142 V N 6.627 125.577 119.914 -1.608 0.000 2.525 142 V HA 0.248 4.368 4.120 -0.000 0.000 0.299 142 V C -0.575 174.781 176.094 -1.230 0.000 1.034 142 V CA -0.952 60.786 62.300 -0.936 0.000 0.863 142 V CB 1.239 32.797 31.823 -0.441 0.000 0.999 142 V HN 0.574 nan 8.190 nan 0.000 0.423 143 F N 5.922 125.525 119.950 -0.577 0.000 2.529 143 F HA 0.255 4.781 4.527 -0.001 0.000 0.365 143 F C -0.947 174.744 175.800 -0.182 0.000 1.102 143 F CA -1.189 56.662 58.000 -0.248 0.000 1.271 143 F CB 0.704 39.714 39.000 0.018 0.000 1.120 143 F HN 0.389 nan 8.300 nan 0.000 0.579 144 P HA -0.030 nan 4.420 nan 0.000 0.223 144 P C 0.001 177.330 177.300 0.049 0.000 1.151 144 P CA 1.121 64.244 63.100 0.038 0.000 0.787 144 P CB 0.074 31.785 31.700 0.017 0.000 0.788 145 T N -4.996 109.600 114.554 0.070 0.000 2.754 145 T HA 0.299 4.649 4.350 -0.000 0.000 0.296 145 T C -0.993 173.606 174.700 -0.168 0.000 1.205 145 T CA -1.070 61.021 62.100 -0.016 0.000 1.009 145 T CB 1.463 70.320 68.868 -0.018 0.000 1.368 145 T HN -0.093 nan 8.240 nan 0.000 0.509 146 E N 0.326 120.350 120.200 -0.294 0.000 2.384 146 E HA 0.492 4.842 4.350 -0.000 0.000 0.266 146 E C -1.174 175.058 176.600 -0.614 0.000 1.012 146 E CA -0.521 55.461 56.400 -0.697 0.000 0.901 146 E CB 0.568 30.059 29.700 -0.348 0.000 0.967 146 E HN 0.509 nan 8.360 nan 0.000 0.435 147 V N 3.368 122.768 119.914 -0.858 0.000 2.971 147 V HA 0.110 4.229 4.120 -0.000 0.000 0.309 147 V C -0.693 175.261 176.094 -0.233 0.000 1.130 147 V CA -1.017 61.018 62.300 -0.442 0.000 0.964 147 V CB 1.938 33.429 31.823 -0.552 0.000 1.029 147 V HN 0.764 nan 8.190 nan 0.000 0.427 148 E N 5.086 125.204 120.200 -0.138 0.000 2.328 148 E HA 0.225 4.574 4.350 -0.000 0.000 0.265 148 E C -2.536 174.048 176.600 -0.027 0.000 1.057 148 E CA -1.480 54.885 56.400 -0.059 0.000 0.916 148 E CB 0.794 30.459 29.700 -0.058 0.000 0.993 148 E HN 0.333 nan 8.360 nan 0.000 0.446 149 P HA 0.032 nan 4.420 nan 0.000 0.264 149 P C 0.538 177.845 177.300 0.012 0.000 1.183 149 P CA 1.330 64.452 63.100 0.037 0.000 0.763 149 P CB 0.728 32.463 31.700 0.058 0.000 0.807 150 G N 1.508 110.317 108.800 0.015 0.000 2.268 150 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.240 150 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.240 150 G C 0.365 175.264 174.900 -0.001 0.000 1.010 150 G CA 0.132 45.237 45.100 0.008 0.000 0.618 150 G HN 0.609 nan 8.290 nan 0.000 0.516 151 T N 1.417 115.962 114.554 -0.015 0.000 2.946 151 T HA 0.339 4.689 4.350 -0.000 0.000 0.311 151 T C 0.365 175.063 174.700 -0.004 0.000 1.063 151 T CA 0.756 62.842 62.100 -0.024 0.000 1.139 151 T CB 0.990 69.826 68.868 -0.054 0.000 0.994 151 T HN 0.469 nan 8.240 nan 0.000 0.547 152 D N 1.421 121.818 120.400 -0.005 0.000 2.570 152 D HA 0.154 4.793 4.640 -0.000 0.000 0.243 152 D C 1.111 177.432 176.300 0.033 0.000 1.171 152 D CA 0.345 54.350 54.000 0.008 0.000 0.879 152 D CB 0.275 41.070 40.800 -0.009 0.000 1.143 152 D HN 0.553 nan 8.370 nan 0.000 0.511 153 A N 4.080 126.942 122.820 0.070 0.000 1.902 153 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 153 A C 2.158 179.813 177.584 0.120 0.000 1.181 153 A CA 0.918 53.041 52.037 0.143 0.000 0.623 153 A CB -0.487 18.608 19.000 0.158 0.000 0.818 153 A HN 0.734 nan 8.150 nan 0.000 0.443 154 L N -0.790 120.466 121.223 0.055 0.000 2.093 154 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 154 L C 2.753 179.621 176.870 -0.002 0.000 1.085 154 L CA 1.623 56.480 54.840 0.030 0.000 0.755 154 L CB -0.608 41.467 42.059 0.026 0.000 0.904 154 L HN 0.358 nan 8.230 nan 0.000 0.435 155 T N -0.263 114.273 114.554 -0.030 0.000 2.777 155 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 155 T C 1.988 176.581 174.700 -0.178 0.000 1.040 155 T CA 1.281 63.309 62.100 -0.119 0.000 1.141 155 T CB -0.198 68.610 68.868 -0.100 0.000 0.868 155 T HN 0.439 nan 8.240 nan 0.000 0.444 156 A N 1.149 123.958 122.820 -0.018 0.000 1.933 156 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 156 A C 2.119 179.892 177.584 0.314 0.000 1.175 156 A CA 1.111 53.213 52.037 0.108 0.000 0.628 156 A CB -0.741 18.346 19.000 0.146 0.000 0.814 156 A HN 0.495 nan 8.150 nan 0.000 0.444 157 L N -2.649 118.724 121.223 0.250 0.000 2.599 157 L HA 0.033 4.372 4.340 -0.000 0.000 0.230 157 L C 0.002 177.010 176.870 0.230 0.000 1.141 157 L CA -0.025 54.919 54.840 0.174 0.000 0.877 157 L CB -0.375 41.658 42.059 -0.042 0.000 1.009 157 L HN 0.498 nan 8.230 nan 0.000 0.447 158 Y N -1.103 119.212 120.300 0.024 0.000 3.589 158 Y HA -0.262 4.288 4.550 -0.000 0.000 0.218 158 Y C 0.863 176.727 175.900 -0.059 0.000 1.234 158 Y CA 0.323 58.419 58.100 -0.006 0.000 1.576 158 Y CB -1.960 36.504 38.460 0.007 0.000 1.487 158 Y HN 0.163 nan 8.280 nan 0.000 0.616 159 L N -0.932 120.303 121.223 0.021 0.000 3.135 159 L HA 0.221 4.561 4.340 -0.000 0.000 0.279 159 L C 0.854 177.762 176.870 0.064 0.000 1.200 159 L CA -0.118 54.721 54.840 -0.002 0.000 1.016 159 L CB 0.388 42.443 42.059 -0.008 0.000 1.391 159 L HN 0.132 nan 8.230 nan 0.000 0.588 160 N N 1.662 120.377 118.700 0.026 0.000 2.895 160 N HA 0.134 4.874 4.740 -0.000 0.000 0.277 160 N C -1.128 174.408 175.510 0.043 0.000 1.185 160 N CA 0.329 53.397 53.050 0.030 0.000 1.106 160 N CB 0.022 38.503 38.487 -0.011 0.000 1.422 160 N HN 0.137 nan 8.380 nan 0.000 0.521 161 D N 0.343 120.799 120.400 0.094 0.000 2.654 161 D HA 0.320 4.960 4.640 -0.000 0.000 0.231 161 D C -1.461 174.937 176.300 0.164 0.000 1.239 161 D CA -0.381 53.681 54.000 0.104 0.000 0.790 161 D CB 1.178 42.025 40.800 0.078 0.000 1.480 161 D HN 0.205 nan 8.370 nan 0.000 0.442 162 Q N 0.351 120.228 119.800 0.128 0.000 2.345 162 Q HA 0.758 5.098 4.340 -0.000 0.000 0.268 162 Q C -1.147 174.928 176.000 0.125 0.000 1.054 162 Q CA -0.946 54.938 55.803 0.137 0.000 0.835 162 Q CB 2.802 31.586 28.738 0.078 0.000 1.339 162 Q HN 0.225 nan 8.270 nan 0.000 0.447 163 V N 2.921 122.921 119.914 0.143 0.000 2.444 163 V HA 0.413 4.533 4.120 -0.000 0.000 0.294 163 V C -0.551 175.565 176.094 0.037 0.000 1.022 163 V CA -0.625 61.735 62.300 0.100 0.000 0.850 163 V CB 1.547 33.480 31.823 0.184 0.000 0.992 163 V HN 0.794 nan 8.190 nan 0.000 0.426 164 M N 3.658 123.237 119.600 -0.035 0.000 2.162 164 M HA 0.365 4.845 4.480 -0.000 0.000 0.356 164 M C 0.113 176.321 176.300 -0.153 0.000 1.303 164 M CA 0.019 55.285 55.300 -0.057 0.000 1.116 164 M CB 0.829 33.394 32.600 -0.058 0.000 1.632 164 M HN 0.635 nan 8.290 nan 0.000 0.469 165 E N 3.822 123.999 120.200 -0.038 0.000 2.089 165 E HA 0.294 4.643 4.350 -0.000 0.000 0.284 165 E C -1.289 175.395 176.600 0.141 0.000 1.023 165 E CA -0.254 56.133 56.400 -0.022 0.000 0.819 165 E CB 0.673 30.387 29.700 0.022 0.000 1.076 165 E HN 0.469 nan 8.360 nan 0.000 0.396 166 F N 2.795 122.746 119.950 0.002 0.000 2.484 166 F HA 0.060 4.586 4.527 -0.000 0.000 0.360 166 F C 0.850 176.650 175.800 -0.001 0.000 1.101 166 F CA -0.700 57.298 58.000 -0.004 0.000 1.251 166 F CB 0.723 39.714 39.000 -0.014 0.000 1.132 166 F HN 0.449 nan 8.300 nan 0.000 0.570 167 D N 5.380 125.894 120.400 0.189 0.000 2.485 167 D HA 0.332 4.972 4.640 -0.000 0.000 0.229 167 D C -0.771 175.565 176.300 0.061 0.000 1.101 167 D CA -0.165 53.895 54.000 0.101 0.000 0.906 167 D CB 0.313 41.153 40.800 0.066 0.000 1.019 167 D HN 0.327 nan 8.370 nan 0.000 0.516 168 L N 2.083 123.347 121.223 0.068 0.000 2.379 168 L HA 0.456 4.795 4.340 -0.000 0.000 0.269 168 L C 1.141 178.020 176.870 0.014 0.000 1.084 168 L CA -0.736 54.120 54.840 0.026 0.000 0.802 168 L CB 1.535 43.624 42.059 0.050 0.000 1.175 168 L HN 0.358 nan 8.230 nan 0.000 0.448 169 T N -1.893 112.658 114.554 -0.004 0.000 2.899 169 T HA 0.274 4.624 4.350 -0.000 0.000 0.284 169 T C -1.949 172.756 174.700 0.008 0.000 1.004 169 T CA -1.699 60.402 62.100 0.002 0.000 1.043 169 T CB 1.133 69.998 68.868 -0.004 0.000 1.013 169 T HN 0.358 nan 8.240 nan 0.000 0.518 170 P HA -0.075 nan 4.420 nan 0.000 0.218 170 P C 1.475 178.784 177.300 0.014 0.000 1.148 170 P CA 0.685 63.794 63.100 0.015 0.000 0.822 170 P CB -0.121 31.589 31.700 0.016 0.000 0.784 171 N N -0.124 118.584 118.700 0.012 0.000 2.144 171 N HA -0.208 4.532 4.740 -0.000 0.000 0.195 171 N C 0.689 176.206 175.510 0.012 0.000 1.006 171 N CA 1.307 54.365 53.050 0.012 0.000 0.880 171 N CB -0.167 38.325 38.487 0.009 0.000 1.018 171 N HN -0.102 nan 8.380 nan 0.000 0.443 172 R N -0.673 119.831 120.500 0.007 0.000 2.834 172 R HA 0.363 4.702 4.340 -0.000 0.000 0.362 172 R C 0.679 176.989 176.300 0.016 0.000 1.147 172 R CA 0.138 56.241 56.100 0.004 0.000 1.125 172 R CB -0.355 29.931 30.300 -0.024 0.000 1.361 172 R HN 0.178 nan 8.270 nan 0.000 0.598 173 A N 1.334 124.166 122.820 0.021 0.000 1.997 173 A HA -0.247 4.073 4.320 -0.000 0.000 0.221 173 A C 1.698 179.301 177.584 0.031 0.000 1.172 173 A CA 2.085 54.137 52.037 0.024 0.000 0.645 173 A CB -0.220 18.793 19.000 0.021 0.000 0.813 173 A HN 0.500 nan 8.150 nan 0.000 0.454 174 D N 0.320 120.743 120.400 0.039 0.000 2.182 174 D HA -0.084 4.556 4.640 -0.000 0.000 0.201 174 D C 1.500 177.830 176.300 0.050 0.000 0.986 174 D CA 1.376 55.411 54.000 0.059 0.000 0.847 174 D CB -0.426 40.417 40.800 0.072 0.000 0.942 174 D HN 0.458 nan 8.370 nan 0.000 0.467 175 A N 0.303 123.154 122.820 0.052 0.000 2.302 175 A HA 0.229 4.549 4.320 -0.000 0.000 0.219 175 A C 1.998 179.649 177.584 0.110 0.000 1.243 175 A CA -0.333 51.761 52.037 0.096 0.000 0.856 175 A CB -0.662 18.393 19.000 0.091 0.000 0.893 175 A HN 0.216 nan 8.150 nan 0.000 0.491 176 L N 0.785 122.032 121.223 0.039 0.000 2.693 176 L HA 0.060 4.400 4.340 -0.000 0.000 0.242 176 L C 0.831 177.652 176.870 -0.081 0.000 1.157 176 L CA 0.460 55.298 54.840 -0.003 0.000 0.929 176 L CB -0.528 41.527 42.059 -0.007 0.000 1.103 176 L HN 0.582 nan 8.230 nan 0.000 0.430 177 S N -2.803 112.822 115.700 -0.125 0.000 2.596 177 S HA 0.355 4.824 4.470 -0.000 0.000 0.270 177 S C 0.520 174.887 174.600 -0.388 0.000 1.155 177 S CA -0.848 57.195 58.200 -0.261 0.000 0.827 177 S CB 1.438 64.493 63.200 -0.242 0.000 1.130 177 S HN -0.122 nan 8.310 nan 0.000 0.467 178 M N 1.321 120.536 119.600 -0.642 0.000 2.175 178 M HA 0.047 4.526 4.480 -0.000 0.000 0.264 178 M C 2.046 177.804 176.300 -0.903 0.000 1.063 178 M CA 1.193 55.970 55.300 -0.872 0.000 1.119 178 M CB -1.465 30.322 32.600 -1.354 0.000 1.377 178 M HN 0.653 nan 8.290 nan 0.000 0.415 179 V N 0.103 119.468 119.914 -0.915 0.000 2.379 179 V HA -0.103 4.017 4.120 -0.000 0.000 0.245 179 V C 2.608 178.463 176.094 -0.399 0.000 1.044 179 V CA 1.912 63.678 62.300 -0.890 0.000 1.036 179 V CB -1.406 29.734 31.823 -1.138 0.000 0.664 179 V HN 0.521 nan 8.190 nan 0.000 0.453 180 G N -0.461 108.216 108.800 -0.204 0.000 2.469 180 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 180 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 180 G C 1.683 176.607 174.900 0.041 0.000 1.150 180 G CA 1.715 46.845 45.100 0.049 0.000 0.763 180 G HN 0.468 nan 8.290 nan 0.000 0.561 181 T N 1.131 115.645 114.554 -0.067 0.000 2.904 181 T HA 0.185 4.535 4.350 -0.000 0.000 0.267 181 T C 2.740 177.420 174.700 -0.034 0.000 1.059 181 T CA 1.166 63.269 62.100 0.006 0.000 1.137 181 T CB -0.156 68.726 68.868 0.022 0.000 0.879 181 T HN 0.367 nan 8.240 nan 0.000 0.467 182 A N -0.036 122.680 122.820 -0.173 0.000 1.968 182 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 182 A C 1.929 179.446 177.584 -0.112 0.000 1.169 182 A CA 0.881 52.809 52.037 -0.182 0.000 0.638 182 A CB -0.817 17.975 19.000 -0.346 0.000 0.812 182 A HN 0.582 nan 8.150 nan 0.000 0.446 183 Y N -0.288 119.982 120.300 -0.049 0.000 2.181 183 Y HA -0.229 4.321 4.550 -0.000 0.000 0.288 183 Y C 2.612 178.522 175.900 0.015 0.000 1.146 183 Y CA 1.544 59.649 58.100 0.008 0.000 1.164 183 Y CB -0.013 38.472 38.460 0.042 0.000 0.982 183 Y HN 0.485 nan 8.280 nan 0.000 0.515 184 E N 0.221 120.523 120.200 0.170 0.000 2.031 184 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 184 E C 2.081 178.733 176.600 0.087 0.000 0.994 184 E CA 1.735 58.190 56.400 0.092 0.000 0.800 184 E CB -0.550 29.177 29.700 0.046 0.000 0.752 184 E HN 0.171 nan 8.360 nan 0.000 0.447 185 V N 0.972 120.943 119.914 0.096 0.000 2.469 185 V HA -0.267 3.853 4.120 -0.000 0.000 0.251 185 V C 2.365 178.565 176.094 0.176 0.000 1.064 185 V CA 1.824 64.213 62.300 0.149 0.000 1.066 185 V CB -0.954 30.928 31.823 0.099 0.000 0.667 185 V HN 0.486 nan 8.190 nan 0.000 0.461 186 A N -0.155 122.732 122.820 0.112 0.000 1.897 186 A HA -0.015 4.305 4.320 -0.000 0.000 0.215 186 A C 2.444 180.090 177.584 0.103 0.000 1.181 186 A CA 1.775 53.875 52.037 0.105 0.000 0.620 186 A CB -0.701 18.347 19.000 0.080 0.000 0.821 186 A HN 0.540 nan 8.150 nan 0.000 0.443 187 A N 0.257 123.126 122.820 0.083 0.000 1.851 187 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 187 A C 2.161 179.740 177.584 -0.008 0.000 1.195 187 A CA 1.661 53.709 52.037 0.019 0.000 0.622 187 A CB -0.869 18.120 19.000 -0.018 0.000 0.831 187 A HN 0.482 nan 8.150 nan 0.000 0.444 188 L N -2.654 118.566 121.223 -0.004 0.000 2.013 188 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 188 L C 2.278 179.004 176.870 -0.239 0.000 1.073 188 L CA 1.740 56.506 54.840 -0.123 0.000 0.753 188 L CB -0.553 41.449 42.059 -0.096 0.000 0.890 188 L HN 0.535 nan 8.230 nan 0.000 0.432 189 Y N -0.999 119.292 120.300 -0.015 0.000 2.458 189 Y HA 0.113 4.663 4.550 -0.000 0.000 0.256 189 Y C 0.550 176.444 175.900 -0.011 0.000 1.159 189 Y CA -0.485 57.607 58.100 -0.013 0.000 1.261 189 Y CB 0.207 38.662 38.460 -0.008 0.000 1.119 189 Y HN 0.166 nan 8.280 nan 0.000 0.524 190 Q N 0.716 120.568 119.800 0.086 0.000 2.460 190 Q HA -0.218 4.122 4.340 -0.000 0.000 0.311 190 Q C -0.019 176.020 176.000 0.065 0.000 1.396 190 Q CA 1.039 56.871 55.803 0.049 0.000 0.838 190 Q CB -1.945 26.800 28.738 0.012 0.000 1.140 190 Q HN 0.362 nan 8.270 nan 0.000 0.415 191 T N -1.255 113.347 114.554 0.080 0.000 2.865 191 T HA 0.403 4.753 4.350 -0.000 0.000 0.294 191 T C -1.213 173.517 174.700 0.050 0.000 1.119 191 T CA -0.697 61.440 62.100 0.062 0.000 1.007 191 T CB 2.220 71.128 68.868 0.067 0.000 1.225 191 T HN 0.326 nan 8.240 nan 0.000 0.515 192 E N 1.591 121.811 120.200 0.033 0.000 2.331 192 E HA 0.460 4.810 4.350 -0.000 0.000 0.272 192 E C -0.438 176.166 176.600 0.007 0.000 1.036 192 E CA -0.621 55.797 56.400 0.029 0.000 0.864 192 E CB 0.668 30.382 29.700 0.024 0.000 1.035 192 E HN 0.563 nan 8.360 nan 0.000 0.408 193 M N 1.734 121.330 119.600 -0.007 0.000 2.472 193 M HA 0.439 4.919 4.480 -0.000 0.000 0.331 193 M C -1.202 175.056 176.300 -0.070 0.000 1.170 193 M CA -0.071 55.181 55.300 -0.080 0.000 1.009 193 M CB 2.130 34.593 32.600 -0.229 0.000 1.672 193 M HN 0.111 nan 8.290 nan 0.000 0.453 194 T N 2.617 117.136 114.554 -0.058 0.000 2.847 194 T HA 0.444 4.794 4.350 -0.000 0.000 0.291 194 T C -0.477 174.233 174.700 0.016 0.000 0.998 194 T CA -0.866 61.221 62.100 -0.022 0.000 0.967 194 T CB 0.984 69.838 68.868 -0.023 0.000 0.954 194 T HN 0.690 nan 8.240 nan 0.000 0.441 195 K N 3.374 123.782 120.400 0.012 0.000 2.219 195 K HA 0.359 4.679 4.320 -0.000 0.000 0.258 195 K C -1.941 174.717 176.600 0.098 0.000 1.008 195 K CA -1.403 54.916 56.287 0.054 0.000 0.928 195 K CB 0.367 32.923 32.500 0.093 0.000 0.983 195 K HN 0.363 nan 8.250 nan 0.000 0.484 196 P HA 0.101 nan 4.420 nan 0.000 0.279 196 P C -0.899 176.428 177.300 0.046 0.000 1.276 196 P CA -0.401 62.765 63.100 0.110 0.000 0.801 196 P CB 0.585 32.423 31.700 0.230 0.000 1.127 197 E N -0.083 120.060 120.200 -0.096 0.000 2.344 197 E HA 0.176 4.526 4.350 -0.000 0.000 0.270 197 E C 0.547 176.865 176.600 -0.469 0.000 1.021 197 E CA 0.353 56.555 56.400 -0.331 0.000 0.887 197 E CB -0.009 29.377 29.700 -0.524 0.000 0.997 197 E HN 0.515 nan 8.360 nan 0.000 0.429 198 T N 0.312 114.679 114.554 -0.312 0.000 3.087 198 T HA 0.169 4.519 4.350 -0.000 0.000 0.283 198 T C -0.013 174.651 174.700 -0.060 0.000 0.956 198 T CA -0.383 61.630 62.100 -0.145 0.000 0.894 198 T CB -0.015 68.846 68.868 -0.011 0.000 1.160 198 T HN 0.376 nan 8.240 nan 0.000 0.532 199 Q N 2.210 121.946 119.800 -0.108 0.000 2.296 199 Q HA 0.542 4.881 4.340 -0.000 0.000 0.263 199 Q C -0.546 175.563 176.000 0.183 0.000 1.026 199 Q CA -0.109 55.712 55.803 0.030 0.000 0.912 199 Q CB 0.995 29.743 28.738 0.017 0.000 1.198 199 Q HN 0.231 nan 8.270 nan 0.000 0.407 200 S N 2.143 117.974 115.700 0.219 0.000 2.617 200 S HA 0.282 4.752 4.470 -0.000 0.000 0.283 200 S C -0.059 174.630 174.600 0.147 0.000 1.189 200 S CA -0.916 57.435 58.200 0.251 0.000 1.036 200 S CB 0.681 63.998 63.200 0.195 0.000 1.014 200 S HN 0.530 nan 8.310 nan 0.000 0.522 201 N N 3.463 122.236 118.700 0.121 0.000 2.466 201 N HA 0.050 4.790 4.740 -0.000 0.000 0.263 201 N C -0.287 175.260 175.510 0.062 0.000 1.178 201 N CA 0.203 53.300 53.050 0.079 0.000 0.983 201 N CB 0.137 38.662 38.487 0.062 0.000 1.331 201 N HN 0.613 nan 8.380 nan 0.000 0.500 202 E N 0.463 120.700 120.200 0.062 0.000 2.343 202 E HA 0.076 4.426 4.350 -0.000 0.000 0.269 202 E C 0.981 177.607 176.600 0.043 0.000 1.047 202 E CA -0.290 56.143 56.400 0.055 0.000 0.874 202 E CB 1.092 30.826 29.700 0.057 0.000 1.033 202 E HN 0.479 nan 8.360 nan 0.000 0.409 203 T N -0.801 113.776 114.554 0.040 0.000 2.889 203 T HA 0.073 4.422 4.350 -0.000 0.000 0.340 203 T C 1.077 175.796 174.700 0.032 0.000 1.145 203 T CA -0.360 61.760 62.100 0.033 0.000 0.986 203 T CB 0.578 69.464 68.868 0.031 0.000 1.461 203 T HN 0.244 nan 8.240 nan 0.000 0.541 204 S N -0.162 115.555 115.700 0.028 0.000 2.505 204 S HA 0.215 4.685 4.470 -0.000 0.000 0.216 204 S C 0.397 175.013 174.600 0.026 0.000 1.018 204 S CA -0.310 57.906 58.200 0.026 0.000 0.911 204 S CB -0.138 63.075 63.200 0.022 0.000 0.818 204 S HN 0.687 nan 8.310 nan 0.000 0.497 205 E N 1.035 121.251 120.200 0.027 0.000 2.312 205 E HA 0.505 4.855 4.350 -0.000 0.000 0.259 205 E C -0.393 176.226 176.600 0.032 0.000 1.122 205 E CA -0.287 56.130 56.400 0.028 0.000 0.922 205 E CB 0.866 30.583 29.700 0.028 0.000 1.109 205 E HN -0.010 nan 8.360 nan 0.000 0.442 206 S N -0.949 114.770 115.700 0.032 0.000 2.542 206 S HA 0.501 4.971 4.470 -0.000 0.000 0.293 206 S C 0.168 174.791 174.600 0.038 0.000 1.089 206 S CA -0.250 57.971 58.200 0.036 0.000 0.961 206 S CB 1.464 64.684 63.200 0.033 0.000 1.062 206 S HN 0.567 nan 8.310 nan 0.000 0.483 207 A N 2.070 124.917 122.820 0.045 0.000 2.119 207 A HA 0.026 4.345 4.320 -0.000 0.000 0.217 207 A C 2.121 179.730 177.584 0.042 0.000 1.153 207 A CA 1.879 53.945 52.037 0.048 0.000 0.692 207 A CB -1.366 17.669 19.000 0.059 0.000 0.799 207 A HN 1.083 nan 8.150 nan 0.000 0.458 208 T N -0.863 113.714 114.554 0.038 0.000 2.737 208 T HA -0.246 4.104 4.350 -0.000 0.000 0.269 208 T C 1.315 176.030 174.700 0.025 0.000 1.040 208 T CA 1.995 64.114 62.100 0.031 0.000 1.142 208 T CB -0.837 68.049 68.868 0.030 0.000 0.861 208 T HN 0.666 nan 8.240 nan 0.000 0.456 209 N N 0.680 119.395 118.700 0.025 0.000 2.412 209 N HA 0.085 4.825 4.740 -0.000 0.000 0.184 209 N C 1.784 177.306 175.510 0.020 0.000 1.101 209 N CA 0.236 53.297 53.050 0.020 0.000 0.881 209 N CB 0.181 38.679 38.487 0.019 0.000 0.969 209 N HN 0.409 nan 8.380 nan 0.000 0.459 210 E N 0.235 120.450 120.200 0.026 0.000 2.190 210 E HA 0.112 4.461 4.350 -0.000 0.000 0.191 210 E C -0.112 176.502 176.600 0.023 0.000 0.978 210 E CA 0.483 56.899 56.400 0.027 0.000 0.839 210 E CB 0.485 30.208 29.700 0.039 0.000 0.787 210 E HN 0.147 nan 8.360 nan 0.000 0.473 211 L N 0.002 121.239 121.223 0.023 0.000 2.513 211 L HA 0.226 4.566 4.340 -0.000 0.000 0.261 211 L C -1.126 175.751 176.870 0.011 0.000 0.945 211 L CA -0.485 54.366 54.840 0.020 0.000 0.848 211 L CB 2.181 44.264 42.059 0.039 0.000 1.334 211 L HN -0.113 nan 8.230 nan 0.000 0.407 212 S N 3.504 119.201 115.700 -0.005 0.000 2.501 212 S HA 0.892 5.362 4.470 -0.000 0.000 0.301 212 S C -1.115 173.464 174.600 -0.034 0.000 1.096 212 S CA -0.565 57.626 58.200 -0.014 0.000 1.063 212 S CB 1.830 65.017 63.200 -0.021 0.000 1.042 212 S HN 0.469 nan 8.310 nan 0.000 0.494 213 V N 3.225 123.117 119.914 -0.036 0.000 2.448 213 V HA 0.719 4.839 4.120 -0.000 0.000 0.295 213 V C 0.126 176.170 176.094 -0.082 0.000 1.025 213 V CA -0.282 61.968 62.300 -0.084 0.000 0.859 213 V CB 1.722 33.514 31.823 -0.052 0.000 0.988 213 V HN 1.110 nan 8.190 nan 0.000 0.431 214 T N 5.460 119.946 114.554 -0.113 0.000 2.848 214 T HA 0.701 5.051 4.350 -0.000 0.000 0.285 214 T C -0.852 173.784 174.700 -0.106 0.000 0.995 214 T CA -0.464 61.586 62.100 -0.083 0.000 0.970 214 T CB 1.034 69.866 68.868 -0.060 0.000 0.976 214 T HN 0.366 nan 8.240 nan 0.000 0.441 215 I N 4.237 124.768 120.570 -0.066 0.000 2.321 215 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 215 I C 0.237 176.343 176.117 -0.018 0.000 0.998 215 I CA -0.658 60.616 61.300 -0.042 0.000 1.227 215 I CB 1.617 39.620 38.000 0.005 0.000 1.368 215 I HN 0.686 nan 8.210 nan 0.000 0.466 216 D N 3.044 123.432 120.400 -0.020 0.000 2.327 216 D HA -0.024 4.616 4.640 -0.000 0.000 0.205 216 D C 0.523 176.825 176.300 0.003 0.000 0.989 216 D CA 0.872 54.864 54.000 -0.012 0.000 0.873 216 D CB 0.174 40.961 40.800 -0.021 0.000 0.955 216 D HN 0.530 nan 8.370 nan 0.000 0.515 217 N N 0.156 118.865 118.700 0.014 0.000 2.914 217 N HA 0.167 4.907 4.740 -0.000 0.000 0.304 217 N C -2.431 173.106 175.510 0.046 0.000 1.727 217 N CA -1.505 51.561 53.050 0.026 0.000 0.986 217 N CB 1.190 39.692 38.487 0.025 0.000 1.297 217 N HN -0.103 nan 8.380 nan 0.000 0.490 218 P HA -0.062 nan 4.420 nan 0.000 0.230 218 P C 0.495 177.830 177.300 0.057 0.000 1.158 218 P CA 0.963 64.096 63.100 0.056 0.000 0.769 218 P CB 0.278 32.005 31.700 0.046 0.000 0.807 219 E N -0.424 119.805 120.200 0.047 0.000 2.338 219 E HA -0.126 4.223 4.350 -0.000 0.000 0.197 219 E C 1.512 178.146 176.600 0.056 0.000 1.007 219 E CA 1.002 57.430 56.400 0.045 0.000 0.849 219 E CB -0.292 29.430 29.700 0.036 0.000 0.774 219 E HN 0.086 nan 8.360 nan 0.000 0.506 220 K N -0.443 119.998 120.400 0.069 0.000 2.481 220 K HA 0.260 4.579 4.320 -0.000 0.000 0.210 220 K C -0.887 175.788 176.600 0.125 0.000 1.161 220 K CA 0.043 56.378 56.287 0.081 0.000 1.023 220 K CB 1.915 34.453 32.500 0.064 0.000 0.971 220 K HN -0.077 nan 8.250 nan 0.000 0.577 221 V N 2.263 122.254 119.914 0.129 0.000 2.558 221 V HA 0.206 4.325 4.120 -0.000 0.000 0.261 221 V C -2.261 173.911 176.094 0.130 0.000 0.958 221 V CA -1.136 61.264 62.300 0.167 0.000 0.852 221 V CB 1.567 33.532 31.823 0.236 0.000 1.067 221 V HN -0.078 nan 8.190 nan 0.000 0.468 222 P HA -0.098 nan 4.420 nan 0.000 0.221 222 P C -0.296 177.139 177.300 0.226 0.000 1.145 222 P CA 1.460 64.639 63.100 0.131 0.000 0.795 222 P CB 0.104 31.864 31.700 0.101 0.000 0.775 223 Y N -2.178 118.134 120.300 0.020 0.000 2.565 223 Y HA 0.518 5.068 4.550 -0.000 0.000 0.330 223 Y C -1.930 173.997 175.900 0.044 0.000 1.150 223 Y CA -1.588 56.531 58.100 0.031 0.000 1.055 223 Y CB 1.070 39.532 38.460 0.004 0.000 1.337 223 Y HN -0.267 nan 8.280 nan 0.000 0.457 224 Y N 4.339 124.266 120.300 -0.620 0.000 2.358 224 Y HA 0.553 5.103 4.550 -0.000 0.000 0.324 224 Y C -1.113 174.400 175.900 -0.646 0.000 1.123 224 Y CA -0.325 57.484 58.100 -0.486 0.000 1.067 224 Y CB 1.394 39.746 38.460 -0.179 0.000 1.230 224 Y HN 0.705 nan 8.280 nan 0.000 0.429 225 S N 3.995 119.417 115.700 -0.464 0.000 2.677 225 S HA 1.019 5.489 4.470 -0.000 0.000 0.304 225 S C -0.941 173.668 174.600 0.015 0.000 1.108 225 S CA -0.363 57.736 58.200 -0.169 0.000 0.944 225 S CB 2.205 65.327 63.200 -0.129 0.000 1.127 225 S HN 1.167 nan 8.310 nan 0.000 0.511 226 A N 0.741 123.621 122.820 0.100 0.000 2.594 226 A HA 0.856 5.175 4.320 -0.000 0.000 0.295 226 A C -0.819 176.831 177.584 0.111 0.000 1.071 226 A CA -0.989 51.132 52.037 0.141 0.000 0.685 226 A CB 1.446 20.581 19.000 0.224 0.000 1.285 226 A HN 0.839 nan 8.150 nan 0.000 0.405 227 R N -0.170 120.396 120.500 0.110 0.000 2.867 227 R HA 0.757 5.096 4.340 -0.000 0.000 0.268 227 R C -1.555 174.806 176.300 0.101 0.000 1.014 227 R CA -0.858 55.300 56.100 0.096 0.000 0.946 227 R CB 2.427 32.778 30.300 0.085 0.000 1.208 227 R HN 0.460 nan 8.270 nan 0.000 0.477 228 V N 1.825 121.791 119.914 0.086 0.000 2.540 228 V HA 0.460 4.580 4.120 -0.000 0.000 0.302 228 V C -0.629 175.506 176.094 0.070 0.000 1.035 228 V CA -0.764 61.586 62.300 0.084 0.000 0.873 228 V CB 1.818 33.686 31.823 0.076 0.000 0.992 228 V HN 0.578 nan 8.190 nan 0.000 0.428 229 V N 3.469 123.423 119.914 0.066 0.000 2.638 229 V HA 0.697 4.817 4.120 -0.000 0.000 0.306 229 V C -0.660 175.462 176.094 0.045 0.000 1.052 229 V CA -0.601 61.730 62.300 0.051 0.000 0.885 229 V CB 1.818 33.667 31.823 0.043 0.000 0.999 229 V HN 0.847 nan 8.190 nan 0.000 0.424 230 K N 3.637 124.059 120.400 0.038 0.000 2.156 230 K HA 0.559 4.879 4.320 -0.000 0.000 0.250 230 K C -0.241 176.374 176.600 0.025 0.000 0.955 230 K CA -0.756 55.552 56.287 0.036 0.000 0.855 230 K CB 0.915 33.436 32.500 0.035 0.000 1.101 230 K HN 0.839 nan 8.250 nan 0.000 0.434 231 N N 0.032 118.747 118.700 0.025 0.000 2.756 231 N HA -0.141 4.598 4.740 -0.000 0.000 0.248 231 N C -0.444 175.071 175.510 0.008 0.000 1.062 231 N CA 0.775 53.835 53.050 0.017 0.000 0.696 231 N CB -1.718 36.777 38.487 0.014 0.000 0.946 231 N HN 0.492 nan 8.380 nan 0.000 0.548 232 V N -1.956 117.963 119.914 0.009 0.000 2.614 232 V HA 0.600 4.720 4.120 -0.000 0.000 0.291 232 V C 0.886 176.976 176.094 -0.006 0.000 1.049 232 V CA -0.459 61.839 62.300 -0.003 0.000 1.038 232 V CB 1.967 33.788 31.823 -0.004 0.000 0.980 232 V HN 0.311 nan 8.190 nan 0.000 0.481 233 S N 5.170 120.861 115.700 -0.017 0.000 2.456 233 S HA 0.623 5.093 4.470 -0.000 0.000 0.316 233 S C -0.474 174.107 174.600 -0.031 0.000 1.089 233 S CA -0.772 57.417 58.200 -0.019 0.000 1.101 233 S CB 0.523 63.712 63.200 -0.018 0.000 0.995 233 S HN 0.732 nan 8.310 nan 0.000 0.468 234 I N 5.293 125.845 120.570 -0.031 0.000 2.416 234 I HA 0.368 4.538 4.170 -0.000 0.000 0.288 234 I C 0.406 176.496 176.117 -0.046 0.000 1.051 234 I CA 0.274 61.549 61.300 -0.042 0.000 1.375 234 I CB 0.518 38.494 38.000 -0.039 0.000 1.407 234 I HN 0.783 nan 8.210 nan 0.000 0.516 235 E N 6.429 126.594 120.200 -0.058 0.000 2.442 235 E HA 0.470 4.820 4.350 -0.000 0.000 0.278 235 E C -2.907 173.649 176.600 -0.073 0.000 1.082 235 E CA -2.085 54.281 56.400 -0.057 0.000 0.861 235 E CB 0.676 30.347 29.700 -0.048 0.000 1.462 235 E HN 0.091 nan 8.360 nan 0.000 0.458 236 P HA 0.034 nan 4.420 nan 0.000 0.267 236 P C -0.668 176.561 177.300 -0.118 0.000 1.200 236 P CA 0.033 63.090 63.100 -0.073 0.000 0.772 236 P CB 0.516 32.203 31.700 -0.022 0.000 0.855 237 S N 3.727 119.329 115.700 -0.163 0.000 2.593 237 S HA 0.294 4.763 4.470 -0.000 0.000 0.269 237 S C -2.010 172.405 174.600 -0.308 0.000 1.334 237 S CA -0.993 57.037 58.200 -0.282 0.000 1.015 237 S CB -0.692 62.293 63.200 -0.358 0.000 0.912 237 S HN 0.424 nan 8.310 nan 0.000 0.541 238 P HA 0.105 nan 4.420 nan 0.000 0.271 238 P C 0.902 177.880 177.300 -0.536 0.000 1.233 238 P CA -0.431 62.382 63.100 -0.479 0.000 0.789 238 P CB 0.439 31.706 31.700 -0.722 0.000 0.951 239 I N 1.113 121.524 120.570 -0.264 0.000 2.439 239 I HA -0.122 4.048 4.170 -0.000 0.000 0.251 239 I C 2.055 178.032 176.117 -0.234 0.000 1.139 239 I CA 0.652 61.903 61.300 -0.082 0.000 1.438 239 I CB -1.044 37.089 38.000 0.221 0.000 1.085 239 I HN 0.468 nan 8.210 nan 0.000 0.427 240 W N -0.295 120.712 121.300 -0.489 0.000 2.388 240 W HA -0.065 4.595 4.660 -0.000 0.000 0.294 240 W C 1.926 178.085 176.519 -0.600 0.000 1.212 240 W CA 1.117 57.912 57.345 -0.916 0.000 1.271 240 W CB -1.667 26.958 29.460 -1.392 0.000 1.126 240 W HN -0.045 nan 8.180 nan 0.000 0.535 241 V N 2.337 121.659 119.914 -0.986 0.000 2.261 241 V HA -0.335 3.785 4.120 -0.000 0.000 0.246 241 V C 2.882 178.727 176.094 -0.415 0.000 1.047 241 V CA 2.545 64.346 62.300 -0.831 0.000 1.015 241 V CB -1.154 29.991 31.823 -1.130 0.000 0.642 241 V HN 0.174 nan 8.190 nan 0.000 0.446 242 Q N -0.121 119.461 119.800 -0.364 0.000 2.077 242 Q HA -0.257 4.083 4.340 -0.000 0.000 0.206 242 Q C 2.405 178.310 176.000 -0.158 0.000 0.989 242 Q CA 2.097 57.787 55.803 -0.187 0.000 0.853 242 Q CB -0.446 28.239 28.738 -0.088 0.000 0.907 242 Q HN 0.685 nan 8.270 nan 0.000 0.418 243 A N 1.013 123.725 122.820 -0.180 0.000 1.897 243 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 243 A C 2.028 179.509 177.584 -0.172 0.000 1.181 243 A CA 1.019 52.960 52.037 -0.160 0.000 0.620 243 A CB -0.329 18.617 19.000 -0.089 0.000 0.821 243 A HN 0.194 nan 8.150 nan 0.000 0.443 244 R N -0.371 120.010 120.500 -0.199 0.000 2.091 244 R HA -0.063 4.277 4.340 -0.000 0.000 0.238 244 R C 2.044 178.293 176.300 -0.086 0.000 1.136 244 R CA 1.490 57.455 56.100 -0.224 0.000 0.959 244 R CB -0.558 29.363 30.300 -0.631 0.000 0.856 244 R HN 0.497 nan 8.270 nan 0.000 0.437 245 L N 0.366 121.554 121.223 -0.059 0.000 1.989 245 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 245 L C 2.424 179.288 176.870 -0.010 0.000 1.071 245 L CA 1.436 56.281 54.840 0.008 0.000 0.749 245 L CB -0.508 41.550 42.059 -0.002 0.000 0.890 245 L HN 0.193 nan 8.230 nan 0.000 0.431 246 I N -0.015 120.522 120.570 -0.054 0.000 2.091 246 I HA -0.370 3.799 4.170 -0.000 0.000 0.239 246 I C 2.549 178.629 176.117 -0.062 0.000 1.061 246 I CA 1.621 62.888 61.300 -0.055 0.000 1.317 246 I CB -0.342 37.604 38.000 -0.090 0.000 1.031 246 I HN 0.213 nan 8.210 nan 0.000 0.401 247 K N 0.490 120.785 120.400 -0.174 0.000 2.286 247 K HA -0.170 4.150 4.320 -0.000 0.000 0.203 247 K C 1.568 178.174 176.600 0.009 0.000 1.045 247 K CA 1.432 57.592 56.287 -0.212 0.000 0.935 247 K CB -0.241 32.070 32.500 -0.315 0.000 0.737 247 K HN 0.400 nan 8.250 nan 0.000 0.460 248 A N 0.103 122.945 122.820 0.036 0.000 2.423 248 A HA 0.329 4.648 4.320 -0.000 0.000 0.246 248 A C 1.100 178.714 177.584 0.049 0.000 1.278 248 A CA 0.416 52.490 52.037 0.062 0.000 0.903 248 A CB 0.064 19.127 19.000 0.105 0.000 0.997 248 A HN 0.330 nan 8.150 nan 0.000 0.510 249 G N -0.421 108.408 108.800 0.049 0.000 2.160 249 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.251 249 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.251 249 G C -0.056 174.864 174.900 0.032 0.000 1.008 249 G CA 0.525 45.652 45.100 0.046 0.000 0.724 249 G HN 0.511 nan 8.290 nan 0.000 0.514 250 I N 0.031 120.618 120.570 0.028 0.000 2.378 250 I HA 0.379 4.549 4.170 -0.000 0.000 0.291 250 I C 0.882 177.004 176.117 0.009 0.000 0.992 250 I CA -1.008 60.304 61.300 0.020 0.000 1.154 250 I CB 1.593 39.609 38.000 0.027 0.000 1.315 250 I HN 0.060 nan 8.210 nan 0.000 0.448 251 R N 7.163 127.665 120.500 0.005 0.000 2.421 251 R HA 0.238 4.577 4.340 -0.000 0.000 0.305 251 R C -2.356 173.935 176.300 -0.016 0.000 1.039 251 R CA -1.310 54.788 56.100 -0.004 0.000 1.003 251 R CB 0.535 30.831 30.300 -0.007 0.000 0.959 251 R HN 0.234 nan 8.270 nan 0.000 0.427 252 P HA -0.007 nan 4.420 nan 0.000 0.268 252 P C 0.030 177.297 177.300 -0.054 0.000 1.205 252 P CA -0.083 62.992 63.100 -0.041 0.000 0.771 252 P CB 0.693 32.371 31.700 -0.035 0.000 0.858 253 I N 1.015 121.545 120.570 -0.067 0.000 3.632 253 I HA 0.193 4.363 4.170 -0.000 0.000 0.246 253 I C 0.767 176.832 176.117 -0.088 0.000 1.125 253 I CA 0.887 62.143 61.300 -0.075 0.000 1.519 253 I CB -1.022 36.939 38.000 -0.065 0.000 1.555 253 I HN 0.477 nan 8.210 nan 0.000 0.452 254 N N -0.050 118.597 118.700 -0.089 0.000 3.179 254 N HA 0.044 4.784 4.740 -0.000 0.000 0.250 254 N C 0.138 175.581 175.510 -0.111 0.000 1.507 254 N CA -0.260 52.732 53.050 -0.097 0.000 0.883 254 N CB 0.146 38.582 38.487 -0.085 0.000 1.435 254 N HN -0.068 nan 8.380 nan 0.000 0.532 255 N N -0.307 118.321 118.700 -0.120 0.000 2.094 255 N HA -0.188 4.552 4.740 -0.000 0.000 0.191 255 N C 0.968 176.406 175.510 -0.121 0.000 1.023 255 N CA 2.265 55.228 53.050 -0.145 0.000 0.857 255 N CB -0.824 37.578 38.487 -0.142 0.000 1.013 255 N HN 0.333 nan 8.380 nan 0.000 0.426 256 V N 0.285 120.145 119.914 -0.091 0.000 2.379 256 V HA -0.027 4.093 4.120 -0.000 0.000 0.243 256 V C 2.641 178.690 176.094 -0.075 0.000 1.035 256 V CA 0.854 63.111 62.300 -0.073 0.000 1.035 256 V CB -0.504 31.285 31.823 -0.057 0.000 0.673 256 V HN 0.136 nan 8.190 nan 0.000 0.457 257 V N 0.628 120.492 119.914 -0.082 0.000 2.469 257 V HA -0.261 3.858 4.120 -0.000 0.000 0.251 257 V C 2.176 178.231 176.094 -0.065 0.000 1.064 257 V CA 2.205 64.454 62.300 -0.085 0.000 1.066 257 V CB -0.638 31.136 31.823 -0.082 0.000 0.667 257 V HN 0.555 nan 8.190 nan 0.000 0.461 258 D N -0.405 119.952 120.400 -0.073 0.000 2.194 258 D HA 0.008 4.647 4.640 -0.000 0.000 0.204 258 D C 2.013 178.299 176.300 -0.024 0.000 0.964 258 D CA 0.767 54.728 54.000 -0.064 0.000 0.846 258 D CB -0.129 40.594 40.800 -0.128 0.000 0.962 258 D HN 0.370 nan 8.370 nan 0.000 0.490 259 I N 0.941 121.483 120.570 -0.046 0.000 2.315 259 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 259 I C 2.253 178.431 176.117 0.102 0.000 1.125 259 I CA 1.320 62.632 61.300 0.019 0.000 1.392 259 I CB -0.109 37.887 38.000 -0.008 0.000 1.065 259 I HN 0.023 nan 8.210 nan 0.000 0.424 260 S N -0.072 115.654 115.700 0.043 0.000 2.458 260 S HA -0.011 4.459 4.470 -0.000 0.000 0.223 260 S C 1.756 176.392 174.600 0.061 0.000 1.019 260 S CA 0.325 58.550 58.200 0.041 0.000 0.937 260 S CB -0.245 62.937 63.200 -0.029 0.000 0.788 260 S HN 0.357 nan 8.310 nan 0.000 0.511 261 N N 0.803 119.542 118.700 0.066 0.000 2.216 261 N HA 0.000 4.740 4.740 -0.000 0.000 0.183 261 N C 1.343 176.943 175.510 0.150 0.000 1.017 261 N CA 1.233 54.330 53.050 0.079 0.000 0.861 261 N CB -0.637 37.885 38.487 0.058 0.000 0.986 261 N HN 0.580 nan 8.380 nan 0.000 0.428 262 Y N 1.307 121.646 120.300 0.064 0.000 2.242 262 Y HA -0.084 4.465 4.550 -0.000 0.000 0.291 262 Y C 2.068 178.107 175.900 0.232 0.000 1.137 262 Y CA 1.073 59.261 58.100 0.147 0.000 1.181 262 Y CB 0.017 38.520 38.460 0.072 0.000 0.989 262 Y HN -0.199 nan 8.280 nan 0.000 0.527 263 V N -0.493 119.585 119.914 0.273 0.000 2.878 263 V HA -0.161 3.959 4.120 -0.000 0.000 0.250 263 V C 2.161 178.331 176.094 0.127 0.000 1.075 263 V CA 0.988 63.431 62.300 0.238 0.000 1.096 263 V CB -0.556 31.421 31.823 0.257 0.000 0.724 263 V HN 0.382 nan 8.190 nan 0.000 0.467 264 L N 0.480 121.749 121.223 0.076 0.000 1.997 264 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 264 L C 2.216 179.067 176.870 -0.032 0.000 1.074 264 L CA 2.168 57.014 54.840 0.009 0.000 0.763 264 L CB -0.650 41.407 42.059 -0.003 0.000 0.890 264 L HN 0.224 nan 8.230 nan 0.000 0.434 265 L N -0.916 120.291 121.223 -0.027 0.000 2.131 265 L HA -0.195 4.144 4.340 -0.000 0.000 0.210 265 L C 2.569 179.266 176.870 -0.290 0.000 1.092 265 L CA 1.594 56.368 54.840 -0.111 0.000 0.759 265 L CB -0.572 41.496 42.059 0.015 0.000 0.903 265 L HN 0.462 nan 8.230 nan 0.000 0.435 266 E N -0.754 119.303 120.200 -0.239 0.000 2.076 266 E HA -0.174 4.176 4.350 -0.000 0.000 0.190 266 E C 1.624 177.890 176.600 -0.558 0.000 0.979 266 E CA 1.145 57.287 56.400 -0.429 0.000 0.807 266 E CB 0.172 29.785 29.700 -0.146 0.000 0.761 266 E HN 0.452 nan 8.360 nan 0.000 0.454 267 Y N -1.807 118.321 120.300 -0.286 0.000 2.430 267 Y HA 0.270 4.820 4.550 -0.000 0.000 0.254 267 Y C 1.289 177.045 175.900 -0.240 0.000 1.088 267 Y CA 0.522 58.415 58.100 -0.346 0.000 1.267 267 Y CB 1.881 40.191 38.460 -0.250 0.000 1.204 267 Y HN 0.214 nan 8.280 nan 0.000 0.515 268 G N 0.473 109.250 108.800 -0.039 0.000 2.176 268 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.253 268 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.253 268 G C 0.155 175.031 174.900 -0.041 0.000 0.979 268 G CA 0.253 45.328 45.100 -0.042 0.000 0.641 268 G HN 0.251 nan 8.290 nan 0.000 0.530 269 Q N 1.450 121.248 119.800 -0.003 0.000 2.360 269 Q HA 0.587 4.927 4.340 -0.000 0.000 0.254 269 Q C -2.408 173.539 176.000 -0.088 0.000 0.975 269 Q CA -2.424 53.352 55.803 -0.046 0.000 0.912 269 Q CB 1.285 30.028 28.738 0.009 0.000 1.212 269 Q HN 0.243 nan 8.270 nan 0.000 0.452 270 P HA 0.072 nan 4.420 nan 0.000 0.268 270 P C -1.000 176.307 177.300 0.012 0.000 1.204 270 P CA 0.304 63.308 63.100 -0.159 0.000 0.768 270 P CB 0.545 31.982 31.700 -0.439 0.000 0.842 271 L N 2.862 124.114 121.223 0.049 0.000 2.362 271 L HA 0.497 4.837 4.340 -0.000 0.000 0.271 271 L C 0.194 177.115 176.870 0.085 0.000 1.002 271 L CA -0.757 54.122 54.840 0.066 0.000 0.818 271 L CB 1.985 44.065 42.059 0.035 0.000 1.298 271 L HN 0.480 nan 8.230 nan 0.000 0.420 272 H N 2.885 121.939 119.070 -0.026 0.000 2.572 272 H HA 0.549 5.105 4.556 -0.000 0.000 0.359 272 H C -1.451 173.745 175.328 -0.220 0.000 1.134 272 H CA -0.719 55.242 56.048 -0.145 0.000 1.187 272 H CB 2.271 31.899 29.762 -0.223 0.000 1.597 272 H HN 0.507 nan 8.280 nan 0.000 0.524 273 M N 4.047 123.289 119.600 -0.596 0.000 2.294 273 M HA 0.288 4.768 4.480 -0.000 0.000 0.335 273 M C -1.321 174.780 176.300 -0.332 0.000 1.079 273 M CA -0.538 54.575 55.300 -0.312 0.000 0.982 273 M CB 1.218 33.705 32.600 -0.188 0.000 1.651 273 M HN 0.311 nan 8.290 nan 0.000 0.437 274 F N 0.795 120.832 119.950 0.146 0.000 2.469 274 F HA 0.303 4.830 4.527 -0.001 0.000 0.332 274 F C 0.431 176.296 175.800 0.108 0.000 1.103 274 F CA -1.111 56.982 58.000 0.155 0.000 0.979 274 F CB 0.988 40.096 39.000 0.181 0.000 1.137 274 F HN 0.418 nan 8.300 nan 0.000 0.463 275 D N 2.681 123.261 120.400 0.300 0.000 2.412 275 D HA -0.064 4.576 4.640 -0.000 0.000 0.257 275 D C 1.065 177.523 176.300 0.263 0.000 1.217 275 D CA 0.473 54.612 54.000 0.232 0.000 0.897 275 D CB 0.927 41.846 40.800 0.200 0.000 1.132 275 D HN 0.774 nan 8.370 nan 0.000 0.493 276 Q N 3.032 122.953 119.800 0.202 0.000 2.181 276 Q HA -0.169 4.171 4.340 -0.000 0.000 0.205 276 Q C 0.105 176.185 176.000 0.132 0.000 0.980 276 Q CA 1.223 57.121 55.803 0.158 0.000 0.862 276 Q CB 0.275 29.085 28.738 0.119 0.000 0.905 276 Q HN 0.434 nan 8.270 nan 0.000 0.429 277 D N -0.886 119.609 120.400 0.158 0.000 2.434 277 D HA 0.042 4.682 4.640 -0.000 0.000 0.232 277 D C -0.140 176.181 176.300 0.035 0.000 1.166 277 D CA 0.325 54.380 54.000 0.092 0.000 0.830 277 D CB 0.329 41.193 40.800 0.107 0.000 0.960 277 D HN 0.393 nan 8.370 nan 0.000 0.497 278 H N -1.593 117.543 119.070 0.110 0.000 3.770 278 H HA 0.257 4.813 4.556 -0.000 0.000 0.264 278 H C 1.711 177.185 175.328 0.244 0.000 1.164 278 H CA -0.182 55.962 56.048 0.161 0.000 1.158 278 H CB 0.478 30.355 29.762 0.192 0.000 1.653 278 H HN -0.070 nan 8.280 nan 0.000 0.795 279 I N 0.347 121.053 120.570 0.228 0.000 2.300 279 I HA -0.260 3.909 4.170 -0.000 0.000 0.252 279 I C 1.981 178.210 176.117 0.187 0.000 1.119 279 I CA 2.074 63.444 61.300 0.116 0.000 1.384 279 I CB -0.080 37.884 38.000 -0.060 0.000 1.062 279 I HN 0.606 nan 8.210 nan 0.000 0.426 280 G N -0.257 108.597 108.800 0.089 0.000 2.157 280 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.239 280 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.239 280 G C 0.264 175.148 174.900 -0.027 0.000 0.982 280 G CA 0.078 45.175 45.100 -0.006 0.000 0.650 280 G HN 0.457 nan 8.290 nan 0.000 0.527 281 S N -2.143 113.544 115.700 -0.020 0.000 2.660 281 S HA 0.566 5.036 4.470 -0.000 0.000 0.264 281 S C -0.017 174.566 174.600 -0.029 0.000 1.131 281 S CA -0.304 57.878 58.200 -0.030 0.000 0.846 281 S CB 1.216 64.397 63.200 -0.033 0.000 1.151 281 S HN 0.250 nan 8.310 nan 0.000 0.486 282 K N 0.351 120.734 120.400 -0.029 0.000 2.469 282 K HA 0.243 4.563 4.320 -0.000 0.000 0.204 282 K C -0.965 175.616 176.600 -0.030 0.000 1.047 282 K CA 0.126 56.400 56.287 -0.022 0.000 1.072 282 K CB 0.421 32.913 32.500 -0.013 0.000 0.863 282 K HN 0.562 nan 8.250 nan 0.000 0.530 283 E N 0.837 121.010 120.200 -0.045 0.000 2.151 283 E HA 0.294 4.644 4.350 -0.000 0.000 0.275 283 E C -0.873 175.672 176.600 -0.092 0.000 0.936 283 E CA -0.578 55.787 56.400 -0.059 0.000 0.777 283 E CB 2.200 31.868 29.700 -0.054 0.000 1.108 283 E HN 0.022 nan 8.360 nan 0.000 0.401 284 I N 2.743 123.244 120.570 -0.114 0.000 2.365 284 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 284 I C -0.779 175.222 176.117 -0.194 0.000 1.004 284 I CA -0.710 60.482 61.300 -0.179 0.000 1.311 284 I CB 1.342 39.216 38.000 -0.210 0.000 1.401 284 I HN 0.315 nan 8.210 nan 0.000 0.491 285 V N 7.320 127.120 119.914 -0.190 0.000 2.409 285 V HA 0.315 4.435 4.120 -0.000 0.000 0.290 285 V C -0.273 175.715 176.094 -0.177 0.000 1.017 285 V CA -0.738 61.464 62.300 -0.164 0.000 0.841 285 V CB 1.771 33.532 31.823 -0.103 0.000 1.003 285 V HN 0.368 nan 8.190 nan 0.000 0.426 286 V N 6.684 126.477 119.914 -0.201 0.000 2.465 286 V HA 0.748 4.868 4.120 -0.000 0.000 0.279 286 V C 0.191 176.248 176.094 -0.063 0.000 1.045 286 V CA -0.426 61.800 62.300 -0.123 0.000 0.938 286 V CB 0.992 32.769 31.823 -0.077 0.000 0.986 286 V HN 1.086 nan 8.190 nan 0.000 0.467 287 R N 2.757 123.227 120.500 -0.050 0.000 2.756 287 R HA 0.540 4.880 4.340 -0.000 0.000 0.273 287 R C -1.401 174.878 176.300 -0.035 0.000 1.030 287 R CA -1.151 54.929 56.100 -0.033 0.000 0.887 287 R CB 0.740 31.018 30.300 -0.036 0.000 1.274 287 R HN 0.359 nan 8.270 nan 0.000 0.461 288 Q N 0.647 120.432 119.800 -0.025 0.000 2.373 288 Q HA 0.358 4.698 4.340 -0.000 0.000 0.255 288 Q C 0.209 176.189 176.000 -0.032 0.000 0.980 288 Q CA 0.208 55.995 55.803 -0.028 0.000 0.882 288 Q CB 0.916 29.645 28.738 -0.016 0.000 1.249 288 Q HN 0.715 nan 8.270 nan 0.000 0.438 289 A N 2.818 125.616 122.820 -0.036 0.000 2.577 289 A HA -0.012 4.308 4.320 -0.000 0.000 0.233 289 A C 0.099 177.670 177.584 -0.021 0.000 1.076 289 A CA 0.338 52.357 52.037 -0.030 0.000 0.767 289 A CB 0.122 19.104 19.000 -0.030 0.000 1.017 289 A HN 0.582 nan 8.150 nan 0.000 0.511 290 K N 0.647 121.037 120.400 -0.018 0.000 2.098 290 K HA 0.253 4.573 4.320 -0.000 0.000 0.261 290 K C -0.644 175.949 176.600 -0.012 0.000 0.987 290 K CA -0.668 55.611 56.287 -0.014 0.000 0.916 290 K CB 0.797 33.291 32.500 -0.011 0.000 1.039 290 K HN 0.758 nan 8.250 nan 0.000 0.455 291 D N 2.330 122.723 120.400 -0.011 0.000 2.525 291 D HA -0.083 4.557 4.640 -0.000 0.000 0.235 291 D C -0.158 176.137 176.300 -0.009 0.000 1.137 291 D CA 0.955 54.949 54.000 -0.011 0.000 0.868 291 D CB 0.317 41.111 40.800 -0.010 0.000 1.180 291 D HN 0.572 nan 8.370 nan 0.000 0.465 292 E N -0.241 119.953 120.200 -0.009 0.000 2.604 292 E HA -0.345 4.004 4.350 -0.000 0.000 0.255 292 E C -0.127 176.470 176.600 -0.005 0.000 1.164 292 E CA 0.484 56.880 56.400 -0.007 0.000 0.737 292 E CB -1.428 28.269 29.700 -0.006 0.000 1.317 292 E HN 0.603 nan 8.360 nan 0.000 0.417 293 E N 0.513 120.709 120.200 -0.006 0.000 2.436 293 E HA 0.076 4.426 4.350 -0.000 0.000 0.262 293 E C -0.309 176.290 176.600 -0.002 0.000 1.063 293 E CA 0.558 56.956 56.400 -0.004 0.000 0.944 293 E CB 0.707 30.403 29.700 -0.008 0.000 0.950 293 E HN 0.088 nan 8.360 nan 0.000 0.444 294 T N 3.569 118.125 114.554 0.003 0.000 2.888 294 T HA 0.543 4.893 4.350 -0.000 0.000 0.284 294 T C -0.352 174.355 174.700 0.011 0.000 1.017 294 T CA -0.608 61.497 62.100 0.007 0.000 1.022 294 T CB 0.831 69.707 68.868 0.012 0.000 1.013 294 T HN 0.503 nan 8.240 nan 0.000 0.465 295 M N -0.002 119.603 119.600 0.010 0.000 2.667 295 M HA 0.723 5.202 4.480 -0.000 0.000 0.286 295 M C -1.097 175.215 176.300 0.020 0.000 1.270 295 M CA -0.887 54.424 55.300 0.018 0.000 0.826 295 M CB 2.013 34.615 32.600 0.003 0.000 1.743 295 M HN 0.258 nan 8.290 nan 0.000 0.460 296 T N 1.693 116.266 114.554 0.031 0.000 2.770 296 T HA 0.520 4.870 4.350 -0.000 0.000 0.283 296 T C -0.138 174.572 174.700 0.016 0.000 0.988 296 T CA -0.552 61.566 62.100 0.030 0.000 0.957 296 T CB 1.166 70.064 68.868 0.051 0.000 0.930 296 T HN 0.809 nan 8.240 nan 0.000 0.443 297 T N 1.028 115.587 114.554 0.010 0.000 2.849 297 T HA 0.266 4.616 4.350 -0.000 0.000 0.284 297 T C 1.579 176.285 174.700 0.010 0.000 1.004 297 T CA -0.992 61.110 62.100 0.002 0.000 1.021 297 T CB 0.226 69.096 68.868 0.004 0.000 1.013 297 T HN 0.435 nan 8.240 nan 0.000 0.527 298 L N -1.425 119.804 121.223 0.009 0.000 2.865 298 L HA 0.136 4.475 4.340 -0.000 0.000 0.249 298 L C 0.986 177.867 176.870 0.018 0.000 1.187 298 L CA 1.303 56.153 54.840 0.016 0.000 0.856 298 L CB -1.367 40.705 42.059 0.021 0.000 1.023 298 L HN 0.728 nan 8.230 nan 0.000 0.461 299 D N -0.528 119.883 120.400 0.018 0.000 2.502 299 D HA -0.010 4.630 4.640 -0.000 0.000 0.232 299 D C 0.534 176.844 176.300 0.016 0.000 1.137 299 D CA 0.122 54.131 54.000 0.015 0.000 0.827 299 D CB 0.106 40.915 40.800 0.014 0.000 1.141 299 D HN 0.373 nan 8.370 nan 0.000 0.517 300 N N 1.807 120.520 118.700 0.021 0.000 2.696 300 N HA -0.222 4.517 4.740 -0.000 0.000 0.254 300 N C -0.671 174.851 175.510 0.020 0.000 0.988 300 N CA 0.656 53.721 53.050 0.025 0.000 0.775 300 N CB -1.624 36.879 38.487 0.026 0.000 0.933 300 N HN 0.433 nan 8.380 nan 0.000 0.539 301 N N 0.961 119.671 118.700 0.017 0.000 2.456 301 N HA 0.180 4.919 4.740 -0.000 0.000 0.296 301 N C -0.043 175.477 175.510 0.015 0.000 1.102 301 N CA -0.351 52.707 53.050 0.015 0.000 0.924 301 N CB 1.675 40.169 38.487 0.012 0.000 1.186 301 N HN 0.300 nan 8.380 nan 0.000 0.492 302 E N 1.546 121.755 120.200 0.014 0.000 2.200 302 E HA 0.174 4.524 4.350 -0.000 0.000 0.283 302 E C -0.752 175.853 176.600 0.009 0.000 1.015 302 E CA -0.640 55.768 56.400 0.014 0.000 0.819 302 E CB 0.589 30.298 29.700 0.015 0.000 1.081 302 E HN 0.180 nan 8.360 nan 0.000 0.397 303 R N 4.285 124.789 120.500 0.007 0.000 2.275 303 R HA 0.234 4.574 4.340 -0.000 0.000 0.326 303 R C -0.622 175.678 176.300 -0.000 0.000 0.973 303 R CA -0.625 55.476 56.100 0.002 0.000 0.854 303 R CB 0.975 31.274 30.300 -0.002 0.000 1.156 303 R HN 0.482 nan 8.270 nan 0.000 0.487 304 K N 4.047 124.447 120.400 -0.000 0.000 2.419 304 K HA 0.104 4.424 4.320 -0.000 0.000 0.282 304 K C 0.353 176.949 176.600 -0.007 0.000 1.056 304 K CA 0.244 56.529 56.287 -0.003 0.000 1.035 304 K CB 0.499 32.997 32.500 -0.003 0.000 0.921 304 K HN 0.322 nan 8.250 nan 0.000 0.472 305 L N 3.159 124.377 121.223 -0.009 0.000 2.399 305 L HA 0.351 4.691 4.340 -0.000 0.000 0.266 305 L C 0.512 177.373 176.870 -0.014 0.000 1.114 305 L CA -0.951 53.881 54.840 -0.014 0.000 0.804 305 L CB 1.059 43.107 42.059 -0.018 0.000 1.146 305 L HN 0.375 nan 8.230 nan 0.000 0.451 306 V N -2.071 117.833 119.914 -0.017 0.000 3.096 306 V HA 0.338 4.458 4.120 -0.000 0.000 0.319 306 V C 0.319 176.402 176.094 -0.018 0.000 1.103 306 V CA -0.683 61.606 62.300 -0.018 0.000 1.016 306 V CB 1.582 33.391 31.823 -0.022 0.000 1.090 306 V HN 0.817 nan 8.190 nan 0.000 0.449 307 D N -0.129 120.261 120.400 -0.017 0.000 2.312 307 D HA -0.143 4.497 4.640 -0.000 0.000 0.211 307 D C 1.645 177.937 176.300 -0.013 0.000 0.964 307 D CA 1.475 55.466 54.000 -0.015 0.000 0.877 307 D CB -0.756 40.036 40.800 -0.012 0.000 0.924 307 D HN 0.828 nan 8.370 nan 0.000 0.515 308 T N -2.552 111.994 114.554 -0.013 0.000 3.035 308 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 308 T C 0.380 175.080 174.700 -0.001 0.000 1.109 308 T CA 0.228 62.327 62.100 -0.002 0.000 1.119 308 T CB -0.341 68.523 68.868 -0.006 0.000 0.900 308 T HN -0.016 nan 8.240 nan 0.000 0.503 309 D N 1.574 121.964 120.400 -0.017 0.000 2.351 309 D HA 0.359 4.999 4.640 -0.000 0.000 0.251 309 D C -0.006 176.259 176.300 -0.058 0.000 1.137 309 D CA -0.352 53.627 54.000 -0.035 0.000 0.879 309 D CB 0.995 41.773 40.800 -0.037 0.000 1.181 309 D HN 0.365 nan 8.370 nan 0.000 0.448 310 I N 2.078 122.590 120.570 -0.096 0.000 2.371 310 I HA 0.128 4.298 4.170 -0.000 0.000 0.290 310 I C 0.560 176.572 176.117 -0.175 0.000 1.028 310 I CA -0.711 60.508 61.300 -0.135 0.000 1.345 310 I CB 1.015 38.900 38.000 -0.193 0.000 1.407 310 I HN 0.094 nan 8.210 nan 0.000 0.501 311 V N 5.321 125.156 119.914 -0.133 0.000 2.919 311 V HA 0.584 4.704 4.120 -0.000 0.000 0.316 311 V C -0.233 175.791 176.094 -0.117 0.000 1.077 311 V CA -0.905 61.319 62.300 -0.126 0.000 0.977 311 V CB 2.079 33.853 31.823 -0.080 0.000 1.039 311 V HN 0.381 nan 8.190 nan 0.000 0.441 312 I N 3.234 123.747 120.570 -0.096 0.000 2.440 312 I HA 0.696 4.866 4.170 -0.000 0.000 0.294 312 I C 0.495 176.559 176.117 -0.088 0.000 0.995 312 I CA 0.437 61.697 61.300 -0.066 0.000 1.306 312 I CB 1.093 39.120 38.000 0.046 0.000 1.407 312 I HN 1.098 nan 8.210 nan 0.000 0.501 313 S N 3.774 119.407 115.700 -0.111 0.000 2.697 313 S HA 0.525 4.995 4.470 -0.000 0.000 0.289 313 S C 0.231 174.767 174.600 -0.107 0.000 1.149 313 S CA -0.530 57.618 58.200 -0.087 0.000 0.850 313 S CB 1.805 64.970 63.200 -0.059 0.000 1.151 313 S HN 0.622 nan 8.310 nan 0.000 0.491 314 N N 0.564 119.229 118.700 -0.060 0.000 2.510 314 N HA 0.364 5.104 4.740 -0.000 0.000 0.186 314 N C 0.883 176.366 175.510 -0.045 0.000 1.051 314 N CA 0.572 53.586 53.050 -0.059 0.000 0.877 314 N CB -0.057 38.413 38.487 -0.029 0.000 1.183 314 N HN 1.453 nan 8.380 nan 0.000 0.443 315 G N -0.139 108.645 108.800 -0.027 0.000 2.678 315 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.175 315 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.175 315 G C -0.345 174.547 174.900 -0.013 0.000 1.078 315 G CA 0.062 45.148 45.100 -0.023 0.000 0.864 315 G HN 0.360 nan 8.290 nan 0.000 0.521 316 Q N -0.913 118.887 119.800 -0.000 0.000 1.752 316 Q HA 0.160 4.500 4.340 -0.000 0.000 0.169 316 Q C -0.191 175.816 176.000 0.012 0.000 0.747 316 Q CA 0.080 55.882 55.803 -0.001 0.000 0.814 316 Q CB 0.809 29.544 28.738 -0.005 0.000 1.218 316 Q HN 0.489 nan 8.270 nan 0.000 0.384 317 E N 1.237 121.452 120.200 0.025 0.000 2.311 317 E HA 0.301 4.651 4.350 -0.000 0.000 0.281 317 E C -2.849 173.783 176.600 0.053 0.000 0.905 317 E CA -2.081 54.356 56.400 0.062 0.000 0.778 317 E CB 2.392 32.166 29.700 0.124 0.000 1.240 317 E HN -0.059 nan 8.360 nan 0.000 0.410 318 P HA 0.021 nan 4.420 nan 0.000 0.262 318 P C 0.516 177.793 177.300 -0.037 0.000 1.199 318 P CA 0.404 63.496 63.100 -0.012 0.000 0.763 318 P CB 0.069 31.760 31.700 -0.016 0.000 0.790 319 I N 0.569 121.079 120.570 -0.100 0.000 3.928 319 I HA 0.634 4.804 4.170 -0.000 0.000 0.335 319 I C 0.094 176.143 176.117 -0.113 0.000 1.325 319 I CA -0.306 60.853 61.300 -0.235 0.000 1.107 319 I CB 0.080 37.909 38.000 -0.285 0.000 1.014 319 I HN 0.213 nan 8.210 nan 0.000 0.400 320 A N 1.030 123.808 122.820 -0.070 0.000 2.574 320 A HA 0.463 4.783 4.320 -0.000 0.000 0.298 320 A C -1.772 175.760 177.584 -0.086 0.000 0.987 320 A CA -0.642 51.360 52.037 -0.058 0.000 0.678 320 A CB 0.396 19.377 19.000 -0.032 0.000 1.296 320 A HN 0.107 nan 8.150 nan 0.000 0.420 321 L N 2.049 123.214 121.223 -0.096 0.000 2.385 321 L HA 0.568 4.907 4.340 -0.000 0.000 0.281 321 L C 1.062 177.809 176.870 -0.206 0.000 1.106 321 L CA 0.669 55.434 54.840 -0.126 0.000 0.856 321 L CB 0.317 42.325 42.059 -0.086 0.000 1.186 321 L HN 1.215 nan 8.230 nan 0.000 0.453 322 A N 3.955 126.578 122.820 -0.329 0.000 2.524 322 A HA 0.457 4.777 4.320 -0.000 0.000 0.250 322 A C 1.375 178.536 177.584 -0.705 0.000 1.078 322 A CA 0.488 52.146 52.037 -0.631 0.000 0.761 322 A CB -0.537 17.846 19.000 -1.029 0.000 1.012 322 A HN 1.537 nan 8.150 nan 0.000 0.500 323 G N 0.988 109.536 108.800 -0.421 0.000 2.184 323 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.264 323 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.264 323 G C 0.629 175.613 174.900 0.140 0.000 0.975 323 G CA 0.787 45.871 45.100 -0.026 0.000 0.642 323 G HN 1.350 nan 8.290 nan 0.000 0.536 324 V N -1.112 118.810 119.914 0.014 0.000 3.161 324 V HA 0.650 4.770 4.120 -0.000 0.000 0.221 324 V C 0.623 176.745 176.094 0.045 0.000 1.296 324 V CA 1.572 63.895 62.300 0.038 0.000 1.306 324 V CB 0.720 32.533 31.823 -0.016 0.000 1.171 324 V HN 0.386 nan 8.190 nan 0.000 0.513 325 M N -0.173 119.433 119.600 0.009 0.000 2.365 325 M HA 0.630 5.110 4.480 -0.000 0.000 0.287 325 M C -0.118 176.183 176.300 0.001 0.000 1.154 325 M CA -0.311 55.006 55.300 0.028 0.000 0.941 325 M CB 2.044 34.655 32.600 0.019 0.000 1.704 325 M HN 0.363 nan 8.290 nan 0.000 0.479 326 G N 1.761 110.605 108.800 0.072 0.000 2.614 326 G HA2 0.435 4.395 3.960 -0.000 0.000 0.239 326 G HA3 0.435 4.395 3.960 -0.000 0.000 0.239 326 G C 0.202 175.104 174.900 0.005 0.000 1.240 326 G CA 0.031 45.168 45.100 0.062 0.000 0.842 326 G HN 0.865 nan 8.290 nan 0.000 0.584 327 G N -0.713 108.059 108.800 -0.048 0.000 2.525 327 G HA2 0.401 4.361 3.960 -0.000 0.000 0.287 327 G HA3 0.401 4.361 3.960 -0.000 0.000 0.287 327 G C 0.373 175.211 174.900 -0.103 0.000 1.350 327 G CA 0.225 45.256 45.100 -0.115 0.000 1.039 327 G HN 0.622 nan 8.290 nan 0.000 0.513 328 D N -1.861 118.495 120.400 -0.073 0.000 2.434 328 D HA 0.115 4.755 4.640 -0.000 0.000 0.232 328 D C 0.606 177.000 176.300 0.156 0.000 1.166 328 D CA -0.376 53.647 54.000 0.039 0.000 0.830 328 D CB -0.361 40.491 40.800 0.086 0.000 0.960 328 D HN 0.423 nan 8.370 nan 0.000 0.497 329 F N -2.672 117.333 119.950 0.092 0.000 2.885 329 F HA 0.225 4.752 4.527 -0.000 0.000 0.389 329 F C 1.320 177.204 175.800 0.138 0.000 0.904 329 F CA -0.038 58.021 58.000 0.098 0.000 1.047 329 F CB -0.164 38.901 39.000 0.109 0.000 1.113 329 F HN -0.029 nan 8.300 nan 0.000 0.579 330 S N -0.291 115.393 115.700 -0.026 0.000 2.593 330 S HA 0.139 4.609 4.470 -0.000 0.000 0.217 330 S C 0.362 175.147 174.600 0.307 0.000 0.966 330 S CA -0.155 58.185 58.200 0.233 0.000 0.914 330 S CB -0.368 62.928 63.200 0.160 0.000 0.776 330 S HN 0.283 nan 8.310 nan 0.000 0.523 331 E N 1.791 122.087 120.200 0.161 0.000 2.374 331 E HA 0.285 4.634 4.350 -0.000 0.000 0.260 331 E C -0.168 176.456 176.600 0.040 0.000 1.101 331 E CA -0.359 56.095 56.400 0.091 0.000 0.907 331 E CB 1.222 30.942 29.700 0.034 0.000 1.014 331 E HN 0.034 nan 8.360 nan 0.000 0.427 332 V N 2.238 122.146 119.914 -0.011 0.000 2.655 332 V HA 0.074 4.193 4.120 -0.000 0.000 0.300 332 V C 0.852 176.923 176.094 -0.039 0.000 1.044 332 V CA 0.456 62.741 62.300 -0.026 0.000 1.095 332 V CB 0.564 32.355 31.823 -0.052 0.000 0.952 332 V HN 0.840 nan 8.190 nan 0.000 0.485 333 T N 0.750 115.279 114.554 -0.042 0.000 2.831 333 T HA 0.400 4.750 4.350 -0.000 0.000 0.287 333 T C 0.753 175.428 174.700 -0.041 0.000 1.070 333 T CA -0.768 61.303 62.100 -0.047 0.000 1.010 333 T CB 1.711 70.542 68.868 -0.062 0.000 1.264 333 T HN 0.529 nan 8.240 nan 0.000 0.532 334 E N 0.287 120.463 120.200 -0.040 0.000 2.209 334 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 334 E C 1.720 178.305 176.600 -0.025 0.000 0.993 334 E CA 1.362 57.741 56.400 -0.034 0.000 0.819 334 E CB -0.145 29.535 29.700 -0.034 0.000 0.745 334 E HN 0.608 nan 8.360 nan 0.000 0.477 335 Q N 0.228 120.013 119.800 -0.025 0.000 2.432 335 Q HA 0.044 4.383 4.340 -0.000 0.000 0.205 335 Q C 0.428 176.430 176.000 0.002 0.000 0.945 335 Q CA 0.355 56.151 55.803 -0.011 0.000 0.924 335 Q CB 0.198 28.930 28.738 -0.011 0.000 1.016 335 Q HN 0.026 nan 8.270 nan 0.000 0.503 336 T N 0.344 114.895 114.554 -0.004 0.000 2.940 336 T HA 0.107 4.457 4.350 -0.000 0.000 0.309 336 T C 0.880 175.596 174.700 0.026 0.000 1.056 336 T CA 0.884 62.996 62.100 0.020 0.000 1.137 336 T CB 0.914 69.790 68.868 0.013 0.000 0.976 336 T HN 0.362 nan 8.240 nan 0.000 0.547 337 T N 0.000 114.581 114.554 0.046 0.000 2.993 337 T HA 0.199 4.549 4.350 -0.000 0.000 0.260 337 T C 0.310 175.036 174.700 0.044 0.000 0.939 337 T CA -0.414 61.708 62.100 0.037 0.000 0.886 337 T CB 0.407 69.297 68.868 0.036 0.000 1.209 337 T HN 0.484 nan 8.240 nan 0.000 0.518 338 N N 1.871 120.609 118.700 0.064 0.000 2.249 338 N HA 0.597 5.336 4.740 -0.000 0.000 0.296 338 N C -1.401 174.162 175.510 0.089 0.000 1.051 338 N CA -0.451 52.640 53.050 0.069 0.000 0.815 338 N CB 3.473 42.001 38.487 0.069 0.000 1.487 338 N HN 0.232 nan 8.380 nan 0.000 0.475 339 V N -1.220 118.746 119.914 0.087 0.000 2.709 339 V HA 0.606 4.725 4.120 -0.000 0.000 0.308 339 V C -0.339 175.833 176.094 0.130 0.000 1.062 339 V CA -0.825 61.539 62.300 0.107 0.000 0.901 339 V CB 1.669 33.534 31.823 0.070 0.000 1.003 339 V HN 0.358 nan 8.190 nan 0.000 0.425 340 V N 6.025 126.054 119.914 0.192 0.000 2.472 340 V HA 0.667 4.787 4.120 -0.000 0.000 0.290 340 V C -0.382 175.847 176.094 0.224 0.000 1.037 340 V CA -0.389 62.042 62.300 0.219 0.000 0.908 340 V CB 1.388 33.369 31.823 0.262 0.000 0.985 340 V HN 0.840 nan 8.190 nan 0.000 0.454 341 I N 6.235 126.906 120.570 0.169 0.000 2.339 341 I HA 0.424 4.593 4.170 -0.000 0.000 0.290 341 I C 0.197 176.399 176.117 0.142 0.000 0.994 341 I CA -0.003 61.372 61.300 0.125 0.000 1.191 341 I CB 1.534 39.583 38.000 0.081 0.000 1.343 341 I HN 0.671 nan 8.210 nan 0.000 0.458 342 E N 5.178 125.462 120.200 0.140 0.000 2.259 342 E HA 0.540 4.890 4.350 -0.000 0.000 0.281 342 E C -0.320 176.254 176.600 -0.043 0.000 1.027 342 E CA -0.543 55.884 56.400 0.044 0.000 0.838 342 E CB 1.082 30.841 29.700 0.098 0.000 1.066 342 E HN 0.827 nan 8.360 nan 0.000 0.401 343 G N 2.881 111.598 108.800 -0.139 0.000 2.814 343 G HA2 0.603 4.563 3.960 -0.000 0.000 0.300 343 G HA3 0.603 4.563 3.960 -0.000 0.000 0.300 343 G C -1.101 173.648 174.900 -0.253 0.000 1.406 343 G CA -0.164 44.869 45.100 -0.112 0.000 1.041 343 G HN 0.584 nan 8.290 nan 0.000 0.532 344 A N 2.524 125.121 122.820 -0.372 0.000 2.413 344 A HA 0.861 5.181 4.320 -0.000 0.000 0.307 344 A C -0.679 176.651 177.584 -0.423 0.000 1.087 344 A CA -0.730 50.930 52.037 -0.628 0.000 0.750 344 A CB 1.335 19.536 19.000 -1.332 0.000 1.296 344 A HN 0.617 nan 8.150 nan 0.000 0.423 345 I N 1.763 122.121 120.570 -0.354 0.000 2.330 345 I HA 0.375 4.544 4.170 -0.000 0.000 0.289 345 I C -1.284 174.600 176.117 -0.388 0.000 1.001 345 I CA -0.112 61.078 61.300 -0.183 0.000 1.193 345 I CB 0.836 38.859 38.000 0.038 0.000 1.345 345 I HN 0.465 nan 8.210 nan 0.000 0.461 346 F N 3.017 122.859 119.950 -0.179 0.000 2.470 346 F HA 0.273 4.800 4.527 -0.000 0.000 0.329 346 F C 0.611 176.361 175.800 -0.083 0.000 1.072 346 F CA -1.255 56.606 58.000 -0.232 0.000 0.989 346 F CB 0.666 39.341 39.000 -0.541 0.000 1.193 346 F HN 0.393 nan 8.300 nan 0.000 0.481 347 D N 2.950 123.441 120.400 0.152 0.000 2.531 347 D HA 0.051 4.691 4.640 -0.000 0.000 0.239 347 D C -1.798 174.559 176.300 0.095 0.000 1.144 347 D CA -0.834 53.229 54.000 0.104 0.000 0.869 347 D CB 0.996 41.846 40.800 0.083 0.000 1.160 347 D HN 0.138 nan 8.370 nan 0.000 0.484 348 P HA -0.181 nan 4.420 nan 0.000 0.215 348 P C 1.356 178.669 177.300 0.022 0.000 1.157 348 P CA 0.662 63.814 63.100 0.086 0.000 0.868 348 P CB 0.180 31.924 31.700 0.073 0.000 0.788 349 V N -0.446 119.464 119.914 -0.006 0.000 2.358 349 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 349 V C 2.382 178.437 176.094 -0.065 0.000 1.047 349 V CA 2.262 64.507 62.300 -0.093 0.000 1.035 349 V CB -1.558 30.245 31.823 -0.033 0.000 0.658 349 V HN 0.138 nan 8.190 nan 0.000 0.452 350 S N 0.382 116.105 115.700 0.037 0.000 2.365 350 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 350 S C 1.930 176.548 174.600 0.031 0.000 1.039 350 S CA 1.752 59.988 58.200 0.060 0.000 1.033 350 S CB -0.350 62.871 63.200 0.036 0.000 0.887 350 S HN 0.408 nan 8.310 nan 0.000 0.447 351 I N 1.523 122.102 120.570 0.014 0.000 2.252 351 I HA -0.079 4.091 4.170 -0.000 0.000 0.245 351 I C 2.501 178.637 176.117 0.032 0.000 1.102 351 I CA 1.168 62.480 61.300 0.021 0.000 1.385 351 I CB -1.260 36.787 38.000 0.078 0.000 1.064 351 I HN 0.299 nan 8.210 nan 0.000 0.414 352 R N 0.362 120.854 120.500 -0.013 0.000 2.081 352 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 352 R C 2.306 178.590 176.300 -0.026 0.000 1.131 352 R CA 1.746 57.814 56.100 -0.052 0.000 0.960 352 R CB -0.291 29.917 30.300 -0.154 0.000 0.856 352 R HN 0.432 nan 8.270 nan 0.000 0.436 353 H N -1.132 117.954 119.070 0.025 0.000 2.363 353 H HA 0.002 4.558 4.556 -0.000 0.000 0.301 353 H C 1.983 177.315 175.328 0.007 0.000 1.074 353 H CA 1.628 57.685 56.048 0.015 0.000 1.354 353 H CB 0.225 29.993 29.762 0.010 0.000 1.397 353 H HN 0.234 nan 8.280 nan 0.000 0.516 354 T N 0.038 114.670 114.554 0.130 0.000 2.643 354 T HA -0.218 4.132 4.350 -0.000 0.000 0.264 354 T C 2.403 177.131 174.700 0.047 0.000 1.045 354 T CA 1.693 63.827 62.100 0.058 0.000 1.155 354 T CB -0.437 68.438 68.868 0.012 0.000 0.863 354 T HN 0.481 nan 8.240 nan 0.000 0.420 355 S N 2.043 117.771 115.700 0.047 0.000 2.383 355 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 355 S C 2.059 176.687 174.600 0.048 0.000 1.030 355 S CA 0.968 59.195 58.200 0.045 0.000 1.002 355 S CB -0.436 62.797 63.200 0.055 0.000 0.829 355 S HN 0.430 nan 8.310 nan 0.000 0.467 356 R N 0.835 121.371 120.500 0.060 0.000 2.092 356 R HA 0.132 4.472 4.340 -0.000 0.000 0.231 356 R C 2.773 179.104 176.300 0.052 0.000 1.119 356 R CA 1.249 57.386 56.100 0.061 0.000 0.970 356 R CB -0.276 30.074 30.300 0.085 0.000 0.864 356 R HN 0.428 nan 8.270 nan 0.000 0.440 357 R N 0.793 121.325 120.500 0.054 0.000 2.066 357 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 357 R C 1.635 177.949 176.300 0.023 0.000 1.131 357 R CA 1.244 57.364 56.100 0.034 0.000 0.955 357 R CB -0.024 30.291 30.300 0.025 0.000 0.851 357 R HN 0.187 nan 8.270 nan 0.000 0.432 358 L N 0.770 122.007 121.223 0.023 0.000 2.592 358 L HA 0.084 4.424 4.340 -0.000 0.000 0.227 358 L C 0.295 177.177 176.870 0.020 0.000 1.127 358 L CA -0.184 54.667 54.840 0.017 0.000 0.884 358 L CB -0.214 41.853 42.059 0.013 0.000 1.065 358 L HN 0.337 nan 8.230 nan 0.000 0.457 359 N N 1.352 120.067 118.700 0.025 0.000 2.738 359 N HA -0.224 4.516 4.740 -0.000 0.000 0.249 359 N C -0.411 175.113 175.510 0.025 0.000 1.047 359 N CA 0.613 53.678 53.050 0.025 0.000 0.707 359 N CB -1.223 37.276 38.487 0.020 0.000 0.937 359 N HN 0.376 nan 8.380 nan 0.000 0.545 360 L N 0.343 121.583 121.223 0.029 0.000 3.083 360 L HA 0.293 4.633 4.340 -0.000 0.000 0.286 360 L C 0.771 177.666 176.870 0.041 0.000 1.307 360 L CA -0.456 54.403 54.840 0.031 0.000 0.897 360 L CB 0.341 42.417 42.059 0.027 0.000 1.306 360 L HN 0.058 nan 8.230 nan 0.000 0.569 361 R N 0.901 121.425 120.500 0.040 0.000 2.347 361 R HA 0.347 4.687 4.340 -0.000 0.000 0.304 361 R C 0.141 176.468 176.300 0.045 0.000 1.072 361 R CA 0.163 56.291 56.100 0.046 0.000 0.980 361 R CB 0.930 31.253 30.300 0.039 0.000 0.986 361 R HN 0.387 nan 8.270 nan 0.000 0.448 362 S N 1.426 117.159 115.700 0.056 0.000 2.671 362 S HA 0.280 4.750 4.470 -0.000 0.000 0.299 362 S C 0.524 175.149 174.600 0.042 0.000 1.116 362 S CA -1.022 57.207 58.200 0.049 0.000 0.912 362 S CB 1.783 65.017 63.200 0.057 0.000 1.130 362 S HN 0.522 nan 8.310 nan 0.000 0.501 363 E N 0.984 121.201 120.200 0.028 0.000 2.085 363 E HA -0.136 4.213 4.350 -0.000 0.000 0.194 363 E C 2.256 178.854 176.600 -0.004 0.000 0.994 363 E CA 1.762 58.169 56.400 0.012 0.000 0.801 363 E CB -0.853 28.852 29.700 0.008 0.000 0.743 363 E HN 0.778 nan 8.360 nan 0.000 0.453 364 A N 1.370 124.193 122.820 0.004 0.000 1.898 364 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 364 A C 2.423 179.996 177.584 -0.018 0.000 1.181 364 A CA 2.262 54.279 52.037 -0.033 0.000 0.620 364 A CB -0.576 18.439 19.000 0.025 0.000 0.819 364 A HN 0.354 nan 8.150 nan 0.000 0.442 365 S N 0.443 116.213 115.700 0.118 0.000 2.402 365 S HA -0.155 4.314 4.470 -0.000 0.000 0.229 365 S C 2.083 176.780 174.600 0.162 0.000 1.021 365 S CA 1.601 59.947 58.200 0.244 0.000 0.974 365 S CB -0.861 62.460 63.200 0.202 0.000 0.800 365 S HN 0.919 nan 8.310 nan 0.000 0.484 366 S N 1.900 117.643 115.700 0.072 0.000 2.402 366 S HA 0.006 4.475 4.470 -0.000 0.000 0.229 366 S C 1.917 176.530 174.600 0.022 0.000 1.021 366 S CA 0.600 58.831 58.200 0.051 0.000 0.974 366 S CB -0.463 62.755 63.200 0.031 0.000 0.800 366 S HN 0.382 nan 8.310 nan 0.000 0.484 367 R N 0.459 120.928 120.500 -0.053 0.000 2.127 367 R HA 0.178 4.518 4.340 -0.000 0.000 0.238 367 R C 1.594 177.840 176.300 -0.091 0.000 1.134 367 R CA 1.335 57.361 56.100 -0.123 0.000 0.975 367 R CB -0.956 29.184 30.300 -0.267 0.000 0.865 367 R HN 0.526 nan 8.270 nan 0.000 0.447 368 F N 0.223 120.214 119.950 0.068 0.000 2.187 368 F HA 0.028 4.555 4.527 -0.000 0.000 0.295 368 F C 2.066 177.903 175.800 0.062 0.000 1.091 368 F CA 0.862 58.913 58.000 0.085 0.000 1.308 368 F CB -0.484 38.606 39.000 0.150 0.000 1.030 368 F HN 0.051 nan 8.300 nan 0.000 0.487 369 E N 0.241 120.579 120.200 0.229 0.000 2.114 369 E HA -0.258 4.091 4.350 -0.000 0.000 0.199 369 E C 1.533 178.182 176.600 0.080 0.000 1.008 369 E CA 1.626 58.097 56.400 0.119 0.000 0.810 369 E CB -0.165 29.583 29.700 0.079 0.000 0.739 369 E HN 0.369 nan 8.360 nan 0.000 0.456 370 K N -0.628 119.813 120.400 0.068 0.000 2.374 370 K HA 0.182 4.502 4.320 -0.000 0.000 0.196 370 K C 0.023 176.650 176.600 0.044 0.000 1.023 370 K CA 0.296 56.609 56.287 0.043 0.000 1.103 370 K CB 1.326 33.843 32.500 0.028 0.000 0.848 370 K HN 0.170 nan 8.250 nan 0.000 0.528 371 G N 1.832 110.673 108.800 0.068 0.000 2.879 371 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 371 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 371 G C -0.813 174.114 174.900 0.046 0.000 1.115 371 G CA -1.014 44.125 45.100 0.066 0.000 0.770 371 G HN 0.036 nan 8.290 nan 0.000 0.601 372 I N 1.881 122.484 120.570 0.056 0.000 2.377 372 I HA 0.586 4.756 4.170 -0.000 0.000 0.293 372 I C 1.081 177.193 176.117 -0.008 0.000 0.987 372 I CA -0.578 60.741 61.300 0.031 0.000 1.185 372 I CB 1.372 39.415 38.000 0.071 0.000 1.341 372 I HN 1.073 nan 8.210 nan 0.000 0.455 373 A N 4.404 127.213 122.820 -0.019 0.000 2.444 373 A HA 0.298 4.618 4.320 -0.000 0.000 0.273 373 A C 1.434 178.887 177.584 -0.218 0.000 1.136 373 A CA -0.016 51.950 52.037 -0.117 0.000 0.799 373 A CB -0.137 18.806 19.000 -0.095 0.000 1.081 373 A HN 0.896 nan 8.150 nan 0.000 0.509 374 T N 0.232 114.622 114.554 -0.274 0.000 2.881 374 T HA -0.206 4.143 4.350 -0.000 0.000 0.270 374 T C 1.376 175.586 174.700 -0.817 0.000 1.068 374 T CA 1.553 63.442 62.100 -0.351 0.000 1.131 374 T CB -0.299 68.481 68.868 -0.146 0.000 0.871 374 T HN 0.782 nan 8.240 nan 0.000 0.479 375 E N 0.517 120.051 120.200 -1.110 0.000 2.265 375 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 375 E C 0.739 176.734 176.600 -1.009 0.000 0.996 375 E CA 0.799 56.248 56.400 -1.584 0.000 0.832 375 E CB -0.225 28.684 29.700 -1.318 0.000 0.756 375 E HN 0.790 nan 8.360 nan 0.000 0.491 376 F N -1.129 118.607 119.950 -0.358 0.000 2.683 376 F HA 0.149 4.676 4.527 -0.000 0.000 0.306 376 F C 1.342 177.016 175.800 -0.211 0.000 1.102 376 F CA -0.713 57.164 58.000 -0.204 0.000 1.244 376 F CB 0.958 39.955 39.000 -0.006 0.000 1.029 376 F HN -0.098 nan 8.300 nan 0.000 0.545 377 V N -0.155 119.708 119.914 -0.084 0.000 2.379 377 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 377 V C 1.726 177.827 176.094 0.010 0.000 1.044 377 V CA 1.872 64.161 62.300 -0.018 0.000 1.036 377 V CB -0.251 31.571 31.823 -0.000 0.000 0.664 377 V HN 0.256 nan 8.190 nan 0.000 0.453 378 D N -0.412 119.990 120.400 0.004 0.000 2.162 378 D HA -0.108 4.531 4.640 -0.000 0.000 0.205 378 D C 2.143 178.432 176.300 -0.019 0.000 0.964 378 D CA 1.003 55.032 54.000 0.049 0.000 0.847 378 D CB -0.131 40.723 40.800 0.090 0.000 0.988 378 D HN 0.526 nan 8.370 nan 0.000 0.480 379 E N 0.478 120.640 120.200 -0.065 0.000 2.267 379 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 379 E C 1.627 177.995 176.600 -0.388 0.000 0.998 379 E CA 0.981 57.288 56.400 -0.154 0.000 0.830 379 E CB 0.154 29.798 29.700 -0.095 0.000 0.751 379 E HN 0.177 nan 8.360 nan 0.000 0.491 380 A N -0.203 122.383 122.820 -0.390 0.000 1.956 380 A HA 0.040 4.360 4.320 -0.000 0.000 0.212 380 A C 2.243 179.743 177.584 -0.141 0.000 1.188 380 A CA 0.454 52.210 52.037 -0.468 0.000 0.675 380 A CB -0.163 18.628 19.000 -0.348 0.000 0.845 380 A HN 0.161 nan 8.150 nan 0.000 0.455 381 V N 1.329 121.207 119.914 -0.061 0.000 2.250 381 V HA -0.331 3.789 4.120 -0.000 0.000 0.250 381 V C 2.025 178.135 176.094 0.027 0.000 1.060 381 V CA 2.524 64.829 62.300 0.008 0.000 1.030 381 V CB -0.988 30.855 31.823 0.034 0.000 0.643 381 V HN 0.474 nan 8.190 nan 0.000 0.445 382 D N -0.898 119.508 120.400 0.010 0.000 2.265 382 D HA -0.132 4.508 4.640 -0.000 0.000 0.208 382 D C 2.274 178.628 176.300 0.091 0.000 0.977 382 D CA 0.746 54.775 54.000 0.048 0.000 0.871 382 D CB -0.239 40.578 40.800 0.028 0.000 0.925 382 D HN 0.168 nan 8.370 nan 0.000 0.485 383 R N 0.706 121.239 120.500 0.055 0.000 2.075 383 R HA 0.213 4.553 4.340 -0.000 0.000 0.220 383 R C 1.843 178.282 176.300 0.232 0.000 1.118 383 R CA 1.108 57.303 56.100 0.158 0.000 0.986 383 R CB -0.826 29.538 30.300 0.107 0.000 0.884 383 R HN 0.073 nan 8.270 nan 0.000 0.439 384 A N -0.305 122.608 122.820 0.156 0.000 2.019 384 A HA -0.139 4.180 4.320 -0.000 0.000 0.219 384 A C 2.515 180.169 177.584 0.118 0.000 1.164 384 A CA 1.523 53.644 52.037 0.141 0.000 0.644 384 A CB -0.827 18.232 19.000 0.097 0.000 0.805 384 A HN 0.458 nan 8.150 nan 0.000 0.449 385 C N -2.704 116.671 119.300 0.126 0.000 2.486 385 C HA 0.012 4.472 4.460 -0.000 0.000 0.279 385 C C 2.403 177.469 174.990 0.127 0.000 1.302 385 C CA 0.867 59.950 59.018 0.107 0.000 1.720 385 C CB -1.378 26.425 27.740 0.105 0.000 2.030 385 C HN 0.758 nan 8.230 nan 0.000 0.490 386 Y N 1.445 121.784 120.300 0.065 0.000 2.165 386 Y HA -0.162 4.388 4.550 -0.000 0.000 0.286 386 Y C 2.186 178.132 175.900 0.076 0.000 1.155 386 Y CA 1.590 59.734 58.100 0.073 0.000 1.164 386 Y CB -0.445 38.069 38.460 0.090 0.000 0.978 386 Y HN 0.220 nan 8.280 nan 0.000 0.513 387 L N -0.751 120.527 121.223 0.091 0.000 2.109 387 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 387 L C 2.426 179.242 176.870 -0.090 0.000 1.086 387 L CA 0.958 55.797 54.840 -0.001 0.000 0.760 387 L CB -0.530 41.606 42.059 0.127 0.000 0.910 387 L HN 0.313 nan 8.230 nan 0.000 0.437 388 L N -0.570 120.626 121.223 -0.044 0.000 2.046 388 L HA -0.278 4.061 4.340 -0.000 0.000 0.208 388 L C 2.681 179.505 176.870 -0.077 0.000 1.077 388 L CA 1.301 56.111 54.840 -0.050 0.000 0.747 388 L CB -0.513 41.540 42.059 -0.009 0.000 0.896 388 L HN 0.389 nan 8.230 nan 0.000 0.432 389 Q N -0.012 119.729 119.800 -0.099 0.000 2.029 389 Q HA -0.280 4.060 4.340 -0.000 0.000 0.209 389 Q C 2.076 177.977 176.000 -0.165 0.000 0.999 389 Q CA 2.031 57.758 55.803 -0.128 0.000 0.857 389 Q CB 0.068 28.706 28.738 -0.167 0.000 0.926 389 Q HN 0.361 nan 8.270 nan 0.000 0.415 390 E N -0.451 119.594 120.200 -0.260 0.000 2.216 390 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 390 E C 1.502 178.030 176.600 -0.120 0.000 0.988 390 E CA 0.783 57.045 56.400 -0.229 0.000 0.834 390 E CB 0.351 29.857 29.700 -0.324 0.000 0.772 390 E HN 0.451 nan 8.360 nan 0.000 0.479 391 L N -1.935 119.217 121.223 -0.120 0.000 3.217 391 L HA 0.385 4.724 4.340 -0.000 0.000 0.288 391 L C 1.012 177.817 176.870 -0.108 0.000 1.202 391 L CA 0.253 55.022 54.840 -0.118 0.000 1.027 391 L CB 0.776 42.730 42.059 -0.176 0.000 1.427 391 L HN -0.128 nan 8.230 nan 0.000 0.600 392 A N -0.871 121.895 122.820 -0.089 0.000 2.624 392 A HA 0.358 4.678 4.320 -0.000 0.000 0.287 392 A C 1.074 178.629 177.584 -0.048 0.000 1.087 392 A CA 0.279 52.275 52.037 -0.068 0.000 0.964 392 A CB 0.257 19.220 19.000 -0.062 0.000 1.231 392 A HN 0.125 nan 8.150 nan 0.000 0.551 393 S N -0.608 115.062 115.700 -0.050 0.000 3.419 393 S HA -0.181 4.289 4.470 -0.000 0.000 0.350 393 S C 0.945 175.529 174.600 -0.027 0.000 1.128 393 S CA 0.672 58.850 58.200 -0.036 0.000 0.999 393 S CB -2.025 61.160 63.200 -0.025 0.000 0.923 393 S HN 1.591 nan 8.310 nan 0.000 0.522 394 G N 0.476 109.256 108.800 -0.032 0.000 2.569 394 G HA2 0.459 4.419 3.960 -0.000 0.000 0.249 394 G HA3 0.459 4.419 3.960 -0.000 0.000 0.249 394 G C -0.334 174.562 174.900 -0.007 0.000 1.216 394 G CA -0.564 44.527 45.100 -0.015 0.000 0.845 394 G HN 0.473 nan 8.290 nan 0.000 0.568 395 E N 0.122 120.327 120.200 0.008 0.000 2.145 395 E HA 0.310 4.660 4.350 -0.000 0.000 0.262 395 E C -0.860 175.757 176.600 0.028 0.000 0.883 395 E CA -0.579 55.831 56.400 0.016 0.000 0.748 395 E CB 2.290 32.000 29.700 0.017 0.000 1.140 395 E HN 0.170 nan 8.360 nan 0.000 0.417 396 V N 5.001 124.936 119.914 0.034 0.000 2.353 396 V HA 0.086 4.206 4.120 -0.000 0.000 0.264 396 V C 0.007 176.131 176.094 0.050 0.000 1.049 396 V CA -0.542 61.787 62.300 0.048 0.000 0.896 396 V CB 0.072 31.932 31.823 0.063 0.000 1.025 396 V HN 0.562 nan 8.190 nan 0.000 0.475 397 L N 5.417 126.670 121.223 0.050 0.000 2.490 397 L HA 0.143 4.483 4.340 -0.000 0.000 0.274 397 L C 0.915 177.817 176.870 0.054 0.000 1.201 397 L CA 0.711 55.581 54.840 0.049 0.000 0.869 397 L CB 0.118 42.207 42.059 0.049 0.000 1.123 397 L HN 0.639 nan 8.230 nan 0.000 0.484 398 Q N 3.486 123.315 119.800 0.050 0.000 2.369 398 Q HA 0.108 4.448 4.340 -0.000 0.000 0.295 398 Q C -0.482 175.550 176.000 0.054 0.000 1.075 398 Q CA 0.285 56.118 55.803 0.051 0.000 0.941 398 Q CB 0.281 29.046 28.738 0.044 0.000 1.260 398 Q HN 0.560 nan 8.270 nan 0.000 0.417 399 D N -0.146 120.289 120.400 0.058 0.000 7.203 399 D HA -0.158 4.481 4.640 -0.000 0.000 0.324 399 D C -0.671 175.670 176.300 0.068 0.000 2.597 399 D CA 0.331 54.367 54.000 0.060 0.000 1.714 399 D CB -0.006 40.825 40.800 0.052 0.000 1.143 399 D HN 0.633 nan 8.370 nan 0.000 1.213 400 R N -0.097 120.445 120.500 0.071 0.000 2.548 400 R HA 0.554 4.894 4.340 -0.000 0.000 0.280 400 R C -1.630 174.713 176.300 0.072 0.000 1.061 400 R CA -0.686 55.462 56.100 0.080 0.000 0.915 400 R CB 1.622 31.980 30.300 0.097 0.000 1.210 400 R HN 0.188 nan 8.270 nan 0.000 0.442 401 V N 3.698 123.654 119.914 0.069 0.000 2.370 401 V HA 0.495 4.615 4.120 -0.000 0.000 0.279 401 V C -0.208 175.912 176.094 0.044 0.000 1.029 401 V CA -0.389 61.944 62.300 0.056 0.000 0.870 401 V CB 1.154 33.009 31.823 0.054 0.000 0.984 401 V HN 0.905 nan 8.190 nan 0.000 0.451 402 S N 2.988 118.697 115.700 0.016 0.000 2.618 402 S HA 0.854 5.324 4.470 -0.000 0.000 0.277 402 S C -0.713 173.856 174.600 -0.052 0.000 1.138 402 S CA -0.711 57.444 58.200 -0.075 0.000 0.844 402 S CB 2.217 65.371 63.200 -0.077 0.000 1.127 402 S HN 0.798 nan 8.310 nan 0.000 0.474 403 S N 0.191 115.818 115.700 -0.122 0.000 2.575 403 S HA 0.825 5.295 4.470 -0.000 0.000 0.278 403 S C -0.054 174.565 174.600 0.032 0.000 1.139 403 S CA 0.502 58.688 58.200 -0.022 0.000 0.954 403 S CB 0.628 63.815 63.200 -0.022 0.000 1.054 403 S HN 2.616 nan 8.310 nan 0.000 0.483 404 G N 2.928 111.807 108.800 0.133 0.000 2.541 404 G HA2 0.129 4.089 3.960 -0.000 0.000 0.686 404 G HA3 0.129 4.089 3.960 -0.000 0.000 0.686 404 G C -1.772 173.301 174.900 0.289 0.000 1.286 404 G CA -0.423 44.805 45.100 0.214 0.000 0.894 404 G HN 0.816 nan 8.290 nan 0.000 0.575 405 D N 0.005 120.521 120.400 0.194 0.000 2.492 405 D HA 0.577 5.217 4.640 -0.000 0.000 0.248 405 D C 0.699 177.011 176.300 0.020 0.000 1.101 405 D CA -0.477 53.581 54.000 0.097 0.000 0.840 405 D CB 1.208 42.031 40.800 0.039 0.000 1.209 405 D HN 0.535 nan 8.370 nan 0.000 0.524 406 L N 2.390 123.543 121.223 -0.115 0.000 2.417 406 L HA 0.438 4.778 4.340 -0.000 0.000 0.268 406 L C 1.689 178.514 176.870 -0.074 0.000 1.158 406 L CA -0.567 54.206 54.840 -0.112 0.000 0.819 406 L CB 0.921 42.905 42.059 -0.126 0.000 1.112 406 L HN 0.388 nan 8.230 nan 0.000 0.458 407 G N 1.011 109.796 108.800 -0.026 0.000 2.486 407 G HA2 0.072 4.032 3.960 -0.000 0.000 0.272 407 G HA3 0.072 4.032 3.960 -0.000 0.000 0.272 407 G C 0.051 174.799 174.900 -0.254 0.000 1.426 407 G CA -0.472 44.575 45.100 -0.088 0.000 1.058 407 G HN 0.554 nan 8.290 nan 0.000 0.531 408 S N -1.341 114.225 115.700 -0.224 0.000 2.554 408 S HA 0.038 4.508 4.470 -0.000 0.000 0.290 408 S C 0.583 175.154 174.600 -0.049 0.000 1.309 408 S CA 0.110 58.160 58.200 -0.250 0.000 1.047 408 S CB -0.142 62.974 63.200 -0.142 0.000 0.828 408 S HN 0.360 nan 8.310 nan 0.000 0.509 409 F N 1.655 121.524 119.950 -0.135 0.000 2.682 409 F HA 0.228 4.755 4.527 -0.000 0.000 0.308 409 F C 0.536 176.230 175.800 -0.177 0.000 1.093 409 F CA -0.621 57.276 58.000 -0.171 0.000 1.244 409 F CB 0.862 39.757 39.000 -0.176 0.000 1.052 409 F HN 0.392 nan 8.300 nan 0.000 0.573 410 V N -1.171 118.745 119.914 0.004 0.000 2.735 410 V HA 0.733 4.853 4.120 -0.000 0.000 0.310 410 V C -0.445 175.593 176.094 -0.094 0.000 1.061 410 V CA -0.483 61.769 62.300 -0.079 0.000 0.913 410 V CB 1.625 33.395 31.823 -0.088 0.000 1.005 410 V HN 0.074 nan 8.190 nan 0.000 0.428 411 T N 2.606 117.083 114.554 -0.129 0.000 2.864 411 T HA 0.692 5.042 4.350 -0.000 0.000 0.299 411 T C -2.939 171.678 174.700 -0.138 0.000 1.011 411 T CA -1.989 60.041 62.100 -0.117 0.000 0.975 411 T CB 1.572 70.374 68.868 -0.111 0.000 0.962 411 T HN 0.714 nan 8.240 nan 0.000 0.448 412 P HA 0.483 nan 4.420 nan 0.000 0.276 412 P C -0.732 176.501 177.300 -0.111 0.000 1.230 412 P CA -0.399 62.634 63.100 -0.112 0.000 0.776 412 P CB 0.497 32.148 31.700 -0.080 0.000 0.888 413 I N 2.333 122.823 120.570 -0.133 0.000 2.498 413 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 413 I C -0.168 175.882 176.117 -0.111 0.000 1.032 413 I CA -0.705 60.523 61.300 -0.119 0.000 1.073 413 I CB 2.080 39.994 38.000 -0.144 0.000 1.251 413 I HN 0.131 nan 8.210 nan 0.000 0.426 414 D N 5.722 126.079 120.400 -0.072 0.000 2.210 414 D HA 0.711 5.351 4.640 -0.000 0.000 0.249 414 D C -0.804 175.475 176.300 -0.034 0.000 1.062 414 D CA 0.091 54.062 54.000 -0.049 0.000 0.891 414 D CB 2.059 42.842 40.800 -0.028 0.000 1.186 414 D HN 0.332 nan 8.370 nan 0.000 0.432 415 I N 0.438 121.002 120.570 -0.010 0.000 2.918 415 I HA 0.341 4.511 4.170 -0.000 0.000 0.301 415 I C -0.829 175.322 176.117 0.058 0.000 1.312 415 I CA -0.464 60.852 61.300 0.028 0.000 1.007 415 I CB 2.057 40.085 38.000 0.048 0.000 1.281 415 I HN 0.432 nan 8.210 nan 0.000 0.440 416 T N 2.464 117.054 114.554 0.059 0.000 2.945 416 T HA 0.642 4.992 4.350 -0.000 0.000 0.286 416 T C 0.724 175.469 174.700 0.075 0.000 1.025 416 T CA -0.004 62.131 62.100 0.059 0.000 1.039 416 T CB 1.871 70.761 68.868 0.037 0.000 1.068 416 T HN 0.659 nan 8.240 nan 0.000 0.497 417 A N 0.274 123.131 122.820 0.062 0.000 2.119 417 A HA 0.069 4.388 4.320 -0.000 0.000 0.216 417 A C 2.150 179.757 177.584 0.038 0.000 1.152 417 A CA 1.029 53.097 52.037 0.051 0.000 0.708 417 A CB -0.814 18.201 19.000 0.025 0.000 0.805 417 A HN 0.987 nan 8.150 nan 0.000 0.460 418 E N 0.299 120.518 120.200 0.031 0.000 2.028 418 E HA -0.228 4.122 4.350 -0.000 0.000 0.190 418 E C 1.982 178.596 176.600 0.025 0.000 0.984 418 E CA 1.465 57.878 56.400 0.022 0.000 0.800 418 E CB -0.123 29.586 29.700 0.016 0.000 0.758 418 E HN 0.429 nan 8.360 nan 0.000 0.448 419 K N 0.452 120.870 120.400 0.029 0.000 2.127 419 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 419 K C 1.904 178.525 176.600 0.034 0.000 1.047 419 K CA 1.433 57.737 56.287 0.028 0.000 0.927 419 K CB -0.368 32.152 32.500 0.033 0.000 0.716 419 K HN 0.035 nan 8.250 nan 0.000 0.450 420 V N 1.157 121.104 119.914 0.056 0.000 2.323 420 V HA -0.194 3.925 4.120 -0.000 0.000 0.244 420 V C 1.966 178.088 176.094 0.048 0.000 1.041 420 V CA 1.962 64.305 62.300 0.071 0.000 1.025 420 V CB -0.543 31.344 31.823 0.107 0.000 0.656 420 V HN 0.415 nan 8.190 nan 0.000 0.451 421 N N 0.656 119.388 118.700 0.054 0.000 2.207 421 N HA -0.121 4.618 4.740 -0.000 0.000 0.182 421 N C 1.886 177.401 175.510 0.009 0.000 1.020 421 N CA 1.468 54.557 53.050 0.064 0.000 0.858 421 N CB -0.280 38.243 38.487 0.060 0.000 0.991 421 N HN 0.659 nan 8.380 nan 0.000 0.427 422 K N 0.349 120.749 120.400 -0.000 0.000 2.211 422 K HA 0.020 4.339 4.320 -0.000 0.000 0.203 422 K C 1.445 178.022 176.600 -0.039 0.000 1.050 422 K CA 1.287 57.563 56.287 -0.017 0.000 0.945 422 K CB -0.240 32.255 32.500 -0.008 0.000 0.732 422 K HN -0.117 nan 8.250 nan 0.000 0.451 423 T N 1.084 115.614 114.554 -0.042 0.000 2.904 423 T HA 0.076 4.426 4.350 -0.000 0.000 0.267 423 T C 1.750 176.376 174.700 -0.123 0.000 1.059 423 T CA 1.099 63.162 62.100 -0.062 0.000 1.137 423 T CB -0.006 68.838 68.868 -0.041 0.000 0.879 423 T HN 0.216 nan 8.240 nan 0.000 0.467 424 I N -0.454 120.009 120.570 -0.178 0.000 3.339 424 I HA 0.264 4.434 4.170 -0.000 0.000 0.285 424 I C 1.723 177.643 176.117 -0.329 0.000 1.201 424 I CA 0.381 61.474 61.300 -0.345 0.000 1.434 424 I CB 0.258 37.883 38.000 -0.624 0.000 1.152 424 I HN 0.389 nan 8.210 nan 0.000 0.443 425 G N 1.411 110.097 108.800 -0.190 0.000 2.140 425 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.211 425 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.211 425 G C 0.054 174.968 174.900 0.023 0.000 1.013 425 G CA -0.515 44.526 45.100 -0.097 0.000 0.705 425 G HN 0.246 nan 8.290 nan 0.000 0.508 426 F N -0.433 119.474 119.950 -0.071 0.000 2.408 426 F HA 0.576 5.102 4.527 -0.000 0.000 0.325 426 F C 0.815 176.561 175.800 -0.090 0.000 1.082 426 F CA -1.172 56.768 58.000 -0.099 0.000 1.032 426 F CB 1.629 40.532 39.000 -0.162 0.000 1.259 426 F HN 0.022 nan 8.300 nan 0.000 0.503 427 N N 2.713 121.454 118.700 0.068 0.000 2.918 427 N HA 0.302 5.041 4.740 -0.000 0.000 0.270 427 N C -1.414 174.008 175.510 -0.146 0.000 1.536 427 N CA -0.158 52.875 53.050 -0.029 0.000 0.877 427 N CB 0.162 38.640 38.487 -0.016 0.000 1.190 427 N HN 0.376 nan 8.380 nan 0.000 0.492 428 L N 0.555 121.652 121.223 -0.209 0.000 2.334 428 L HA 0.466 4.805 4.340 -0.000 0.000 0.277 428 L C 0.994 177.779 176.870 -0.142 0.000 1.075 428 L CA -0.839 53.837 54.840 -0.273 0.000 0.804 428 L CB 1.179 42.980 42.059 -0.430 0.000 1.174 428 L HN 0.312 nan 8.230 nan 0.000 0.438 429 S N 1.013 116.640 115.700 -0.122 0.000 2.585 429 S HA 0.116 4.586 4.470 -0.000 0.000 0.273 429 S C 0.985 175.544 174.600 -0.068 0.000 1.339 429 S CA -0.760 57.395 58.200 -0.074 0.000 1.028 429 S CB 0.771 63.936 63.200 -0.059 0.000 0.906 429 S HN 0.642 nan 8.310 nan 0.000 0.528 430 N N 2.051 120.732 118.700 -0.032 0.000 2.111 430 N HA -0.216 4.523 4.740 -0.000 0.000 0.197 430 N C 1.000 176.497 175.510 -0.022 0.000 1.011 430 N CA 2.120 55.163 53.050 -0.011 0.000 0.880 430 N CB -0.875 37.618 38.487 0.010 0.000 1.031 430 N HN 0.726 nan 8.380 nan 0.000 0.444 431 D N 0.828 121.211 120.400 -0.029 0.000 2.103 431 D HA -0.130 4.510 4.640 -0.000 0.000 0.190 431 D C 1.845 178.112 176.300 -0.055 0.000 0.997 431 D CA 1.219 55.202 54.000 -0.029 0.000 0.833 431 D CB -0.249 40.535 40.800 -0.028 0.000 0.961 431 D HN 0.463 nan 8.370 nan 0.000 0.447 432 E N -0.448 119.701 120.200 -0.085 0.000 2.204 432 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 432 E C 2.138 178.633 176.600 -0.175 0.000 0.989 432 E CA 0.357 56.688 56.400 -0.116 0.000 0.824 432 E CB 0.071 29.682 29.700 -0.147 0.000 0.756 432 E HN 0.335 nan 8.360 nan 0.000 0.477 433 I N 0.801 121.257 120.570 -0.190 0.000 2.500 433 I HA -0.215 3.955 4.170 -0.000 0.000 0.252 433 I C 2.622 178.533 176.117 -0.344 0.000 1.142 433 I CA 0.840 61.956 61.300 -0.307 0.000 1.451 433 I CB 0.050 37.932 38.000 -0.196 0.000 1.093 433 I HN 0.102 nan 8.210 nan 0.000 0.430 434 Q N 0.052 119.791 119.800 -0.102 0.000 2.137 434 Q HA -0.142 4.197 4.340 -0.000 0.000 0.198 434 Q C 2.212 178.222 176.000 0.015 0.000 0.960 434 Q CA 1.447 57.279 55.803 0.049 0.000 0.847 434 Q CB 0.051 28.831 28.738 0.069 0.000 0.915 434 Q HN 0.235 nan 8.270 nan 0.000 0.448 435 S N 0.020 115.691 115.700 -0.047 0.000 2.419 435 S HA -0.057 4.413 4.470 -0.000 0.000 0.233 435 S C 1.715 176.261 174.600 -0.090 0.000 1.016 435 S CA 0.868 59.040 58.200 -0.047 0.000 0.974 435 S CB -0.167 63.004 63.200 -0.049 0.000 0.786 435 S HN 0.440 nan 8.310 nan 0.000 0.492 436 I N 0.105 120.554 120.570 -0.200 0.000 2.286 436 I HA -0.110 4.059 4.170 -0.000 0.000 0.245 436 I C 1.541 177.528 176.117 -0.216 0.000 1.104 436 I CA 0.977 62.123 61.300 -0.256 0.000 1.397 436 I CB -0.225 37.548 38.000 -0.377 0.000 1.072 436 I HN 0.268 nan 8.210 nan 0.000 0.417 437 F N 0.907 120.822 119.950 -0.058 0.000 2.259 437 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 437 F C 2.542 178.265 175.800 -0.129 0.000 1.088 437 F CA 0.968 58.918 58.000 -0.083 0.000 1.358 437 F CB -0.780 38.282 39.000 0.104 0.000 1.040 437 F HN -0.089 nan 8.300 nan 0.000 0.505 438 R N -0.116 120.450 120.500 0.110 0.000 2.062 438 R HA -0.160 4.180 4.340 -0.000 0.000 0.229 438 R C 2.178 178.473 176.300 -0.008 0.000 1.128 438 R CA 1.214 57.355 56.100 0.069 0.000 0.960 438 R CB -0.657 29.683 30.300 0.066 0.000 0.855 438 R HN 0.280 nan 8.270 nan 0.000 0.432 439 Q N 0.956 120.729 119.800 -0.045 0.000 2.156 439 Q HA -0.212 4.128 4.340 -0.000 0.000 0.211 439 Q C 1.685 177.622 176.000 -0.105 0.000 0.995 439 Q CA 1.636 57.401 55.803 -0.063 0.000 0.877 439 Q CB -0.124 28.564 28.738 -0.083 0.000 0.920 439 Q HN 0.357 nan 8.270 nan 0.000 0.416 440 L N -1.097 119.972 121.223 -0.257 0.000 2.599 440 L HA 0.113 4.453 4.340 -0.000 0.000 0.230 440 L C 1.113 177.753 176.870 -0.383 0.000 1.141 440 L CA 0.434 54.995 54.840 -0.465 0.000 0.877 440 L CB 0.111 41.558 42.059 -1.020 0.000 1.009 440 L HN 0.559 nan 8.230 nan 0.000 0.447 441 G N -0.164 108.562 108.800 -0.124 0.000 2.142 441 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.225 441 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.225 441 G C 0.088 175.201 174.900 0.355 0.000 1.015 441 G CA -0.555 44.615 45.100 0.118 0.000 0.716 441 G HN 0.266 nan 8.290 nan 0.000 0.508 442 F N 0.692 120.676 119.950 0.056 0.000 2.404 442 F HA 0.375 4.902 4.527 -0.000 0.000 0.354 442 F C 0.933 176.762 175.800 0.048 0.000 1.122 442 F CA -1.064 56.955 58.000 0.031 0.000 1.080 442 F CB 1.208 40.228 39.000 0.034 0.000 1.131 442 F HN 0.038 nan 8.300 nan 0.000 0.471 443 E N 2.596 122.915 120.200 0.198 0.000 2.351 443 E HA 0.086 4.436 4.350 -0.000 0.000 0.266 443 E C -0.892 175.773 176.600 0.107 0.000 1.031 443 E CA 0.313 56.786 56.400 0.122 0.000 0.911 443 E CB 0.854 30.596 29.700 0.070 0.000 0.986 443 E HN 0.505 nan 8.360 nan 0.000 0.446 444 T N 3.400 118.026 114.554 0.119 0.000 2.890 444 T HA 0.233 4.583 4.350 -0.000 0.000 0.295 444 T C -0.580 174.173 174.700 0.088 0.000 0.993 444 T CA -0.781 61.390 62.100 0.118 0.000 0.979 444 T CB 1.325 70.327 68.868 0.224 0.000 0.967 444 T HN 0.493 nan 8.240 nan 0.000 0.441 445 T N 1.434 116.023 114.554 0.058 0.000 2.823 445 T HA 0.667 5.017 4.350 -0.000 0.000 0.279 445 T C -0.504 174.224 174.700 0.046 0.000 0.998 445 T CA -0.950 61.177 62.100 0.045 0.000 0.994 445 T CB 1.178 70.062 68.868 0.027 0.000 0.960 445 T HN 0.284 nan 8.240 nan 0.000 0.448 446 L N 3.033 124.282 121.223 0.044 0.000 2.272 446 L HA 0.517 4.857 4.340 -0.000 0.000 0.284 446 L C -0.294 176.592 176.870 0.026 0.000 1.045 446 L CA -0.420 54.444 54.840 0.040 0.000 0.842 446 L CB 0.211 42.295 42.059 0.041 0.000 1.224 446 L HN 0.722 nan 8.230 nan 0.000 0.430 447 K N 4.437 124.850 120.400 0.022 0.000 2.347 447 K HA 0.625 4.945 4.320 -0.000 0.000 0.262 447 K C 0.722 177.330 176.600 0.014 0.000 1.052 447 K CA 0.230 56.526 56.287 0.015 0.000 0.946 447 K CB 0.895 33.401 32.500 0.010 0.000 1.220 447 K HN 0.873 nan 8.250 nan 0.000 0.450 448 G N 2.601 111.408 108.800 0.013 0.000 2.720 448 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.293 448 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.293 448 G C 0.267 175.176 174.900 0.015 0.000 1.256 448 G CA -0.137 44.970 45.100 0.012 0.000 0.974 448 G HN 0.580 nan 8.290 nan 0.000 0.551 449 E N 1.186 121.396 120.200 0.016 0.000 2.812 449 E HA 0.281 4.631 4.350 -0.000 0.000 0.211 449 E C -0.356 176.260 176.600 0.027 0.000 0.986 449 E CA 0.275 56.687 56.400 0.020 0.000 1.119 449 E CB 1.221 30.930 29.700 0.015 0.000 1.046 449 E HN 0.352 nan 8.360 nan 0.000 0.474 450 T N 1.709 116.279 114.554 0.026 0.000 2.770 450 T HA 0.464 4.814 4.350 -0.000 0.000 0.283 450 T C 0.115 174.837 174.700 0.037 0.000 0.988 450 T CA -0.381 61.736 62.100 0.029 0.000 0.957 450 T CB 1.191 70.069 68.868 0.016 0.000 0.930 450 T HN -0.007 nan 8.240 nan 0.000 0.443 451 L N 3.231 124.487 121.223 0.054 0.000 2.292 451 L HA 0.426 4.766 4.340 -0.000 0.000 0.284 451 L C 0.552 177.432 176.870 0.018 0.000 1.065 451 L CA -0.576 54.303 54.840 0.065 0.000 0.806 451 L CB 1.026 43.172 42.059 0.144 0.000 1.175 451 L HN 0.558 nan 8.230 nan 0.000 0.431 452 T N 2.914 117.470 114.554 0.004 0.000 2.743 452 T HA 0.410 4.760 4.350 -0.000 0.000 0.292 452 T C -0.095 174.573 174.700 -0.053 0.000 0.972 452 T CA -0.415 61.665 62.100 -0.034 0.000 0.967 452 T CB 1.207 70.060 68.868 -0.025 0.000 0.926 452 T HN 0.177 nan 8.240 nan 0.000 0.459 453 V N 4.803 124.638 119.914 -0.131 0.000 2.398 453 V HA 0.347 4.466 4.120 -0.000 0.000 0.286 453 V C 0.204 176.188 176.094 -0.183 0.000 1.026 453 V CA -1.070 61.122 62.300 -0.181 0.000 0.868 453 V CB 1.223 32.784 31.823 -0.437 0.000 0.982 453 V HN 0.766 nan 8.190 nan 0.000 0.443 454 N N 3.758 122.377 118.700 -0.136 0.000 2.558 454 N HA 0.270 5.010 4.740 -0.000 0.000 0.233 454 N C -0.654 174.675 175.510 -0.303 0.000 1.038 454 N CA -0.084 52.869 53.050 -0.162 0.000 0.934 454 N CB 1.801 40.241 38.487 -0.079 0.000 1.175 454 N HN 0.411 nan 8.380 nan 0.000 0.512 455 V N 5.353 125.033 119.914 -0.390 0.000 2.385 455 V HA 0.249 4.369 4.120 -0.000 0.000 0.269 455 V C -1.737 174.087 176.094 -0.450 0.000 1.043 455 V CA -1.455 60.457 62.300 -0.647 0.000 0.906 455 V CB 1.314 32.807 31.823 -0.550 0.000 0.995 455 V HN 0.433 nan 8.190 nan 0.000 0.467 456 P HA 0.122 nan 4.420 nan 0.000 0.277 456 P C 0.700 177.839 177.300 -0.269 0.000 1.240 456 P CA -0.235 62.693 63.100 -0.287 0.000 0.798 456 P CB 1.226 32.770 31.700 -0.260 0.000 0.979 457 S N 2.328 117.888 115.700 -0.234 0.000 2.561 457 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 457 S C 1.504 175.947 174.600 -0.262 0.000 0.977 457 S CA 0.165 58.233 58.200 -0.219 0.000 0.926 457 S CB -0.762 62.323 63.200 -0.192 0.000 0.769 457 S HN 0.535 nan 8.310 nan 0.000 0.533 458 R N 0.223 120.532 120.500 -0.318 0.000 2.193 458 R HA 0.226 4.565 4.340 -0.000 0.000 0.213 458 R C 0.559 176.817 176.300 -0.071 0.000 1.055 458 R CA 0.223 56.192 56.100 -0.218 0.000 0.995 458 R CB -0.229 29.950 30.300 -0.202 0.000 0.893 458 R HN 0.081 nan 8.270 nan 0.000 0.459 459 R N 2.717 123.156 120.500 -0.101 0.000 3.235 459 R HA 0.050 4.390 4.340 -0.000 0.000 0.232 459 R C 0.334 176.589 176.300 -0.076 0.000 1.475 459 R CA 0.035 56.105 56.100 -0.049 0.000 1.405 459 R CB 0.676 30.966 30.300 -0.017 0.000 1.266 459 R HN 0.478 nan 8.270 nan 0.000 0.650 460 K N 0.448 120.813 120.400 -0.057 0.000 2.525 460 K HA -0.075 4.245 4.320 -0.000 0.000 0.192 460 K C 0.355 176.936 176.600 -0.032 0.000 1.029 460 K CA 1.014 57.268 56.287 -0.055 0.000 1.029 460 K CB 0.340 32.814 32.500 -0.045 0.000 0.814 460 K HN 0.145 nan 8.250 nan 0.000 0.503 461 D N 1.457 121.847 120.400 -0.017 0.000 2.234 461 D HA -0.106 4.534 4.640 -0.000 0.000 0.205 461 D C 0.865 177.160 176.300 -0.009 0.000 0.962 461 D CA 0.374 54.373 54.000 -0.002 0.000 0.855 461 D CB -0.251 40.558 40.800 0.014 0.000 0.951 461 D HN 0.321 nan 8.370 nan 0.000 0.500 462 I N 1.825 122.380 120.570 -0.025 0.000 2.301 462 I HA 0.126 4.296 4.170 -0.000 0.000 0.292 462 I C 1.035 177.110 176.117 -0.071 0.000 1.046 462 I CA -0.117 61.161 61.300 -0.037 0.000 1.282 462 I CB 1.296 39.268 38.000 -0.047 0.000 1.409 462 I HN -0.024 nan 8.210 nan 0.000 0.484 463 T N 3.006 117.529 114.554 -0.051 0.000 3.057 463 T HA 0.316 4.665 4.350 -0.000 0.000 0.254 463 T C 0.524 175.193 174.700 -0.052 0.000 0.965 463 T CA -0.111 61.954 62.100 -0.057 0.000 0.978 463 T CB 0.183 69.028 68.868 -0.039 0.000 1.169 463 T HN 0.457 nan 8.240 nan 0.000 0.489 464 I N -0.031 120.518 120.570 -0.035 0.000 3.023 464 I HA 0.602 4.772 4.170 -0.000 0.000 0.312 464 I C 0.977 177.081 176.117 -0.023 0.000 1.056 464 I CA -1.401 59.882 61.300 -0.028 0.000 1.033 464 I CB 2.283 40.276 38.000 -0.013 0.000 1.233 464 I HN -0.000 nan 8.210 nan 0.000 0.462 465 K N 0.688 121.077 120.400 -0.017 0.000 2.426 465 K HA 0.116 4.436 4.320 -0.000 0.000 0.193 465 K C 0.776 177.394 176.600 0.029 0.000 1.028 465 K CA 0.587 56.869 56.287 -0.008 0.000 1.047 465 K CB 0.099 32.593 32.500 -0.010 0.000 0.821 465 K HN 0.637 nan 8.250 nan 0.000 0.513 466 E N 2.034 122.249 120.200 0.025 0.000 2.106 466 E HA -0.142 4.207 4.350 -0.000 0.000 0.192 466 E C 1.376 178.009 176.600 0.055 0.000 0.984 466 E CA 1.293 57.716 56.400 0.037 0.000 0.806 466 E CB -0.140 29.574 29.700 0.023 0.000 0.750 466 E HN 0.314 nan 8.360 nan 0.000 0.458 467 D N 0.264 120.691 120.400 0.045 0.000 2.149 467 D HA -0.202 4.437 4.640 -0.000 0.000 0.194 467 D C 1.868 178.232 176.300 0.107 0.000 1.001 467 D CA 1.001 55.038 54.000 0.060 0.000 0.849 467 D CB -0.183 40.636 40.800 0.031 0.000 0.939 467 D HN 0.218 nan 8.370 nan 0.000 0.449 468 L N 0.332 121.618 121.223 0.106 0.000 2.240 468 L HA -0.022 4.318 4.340 -0.000 0.000 0.211 468 L C 2.490 179.547 176.870 0.311 0.000 1.106 468 L CA 0.207 55.165 54.840 0.198 0.000 0.793 468 L CB -0.111 41.973 42.059 0.041 0.000 0.927 468 L HN 0.023 nan 8.230 nan 0.000 0.446 469 I N 0.159 120.850 120.570 0.201 0.000 2.163 469 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 469 I C 2.547 178.760 176.117 0.161 0.000 1.085 469 I CA 1.626 63.027 61.300 0.168 0.000 1.347 469 I CB -0.261 37.791 38.000 0.088 0.000 1.044 469 I HN 0.317 nan 8.210 nan 0.000 0.408 470 E N 1.235 121.525 120.200 0.150 0.000 2.118 470 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 470 E C 2.038 178.755 176.600 0.195 0.000 0.992 470 E CA 1.335 57.841 56.400 0.176 0.000 0.804 470 E CB 0.060 29.849 29.700 0.149 0.000 0.741 470 E HN 0.324 nan 8.360 nan 0.000 0.458 471 E N 0.164 120.484 120.200 0.200 0.000 2.097 471 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 471 E C 2.279 178.976 176.600 0.161 0.000 1.000 471 E CA 1.418 57.931 56.400 0.188 0.000 0.804 471 E CB -0.355 29.513 29.700 0.280 0.000 0.740 471 E HN 0.281 nan 8.360 nan 0.000 0.454 472 V N 1.428 121.451 119.914 0.182 0.000 2.307 472 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 472 V C 2.435 178.686 176.094 0.262 0.000 1.045 472 V CA 1.817 64.186 62.300 0.115 0.000 1.024 472 V CB -0.850 31.022 31.823 0.082 0.000 0.651 472 V HN 0.256 nan 8.190 nan 0.000 0.449 473 A N 1.281 124.282 122.820 0.302 0.000 1.897 473 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 473 A C 2.388 180.283 177.584 0.519 0.000 1.181 473 A CA 1.722 54.006 52.037 0.411 0.000 0.620 473 A CB -0.478 18.644 19.000 0.203 0.000 0.821 473 A HN 0.668 nan 8.150 nan 0.000 0.443 474 R N -0.623 120.079 120.500 0.336 0.000 2.092 474 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 474 R C 1.594 177.893 176.300 -0.001 0.000 1.119 474 R CA 1.562 57.642 56.100 -0.033 0.000 0.970 474 R CB -0.505 29.702 30.300 -0.155 0.000 0.864 474 R HN 0.338 nan 8.270 nan 0.000 0.440 475 I N 0.680 121.287 120.570 0.062 0.000 2.163 475 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 475 I C 2.391 178.541 176.117 0.055 0.000 1.081 475 I CA 1.243 62.557 61.300 0.023 0.000 1.353 475 I CB -1.375 36.627 38.000 0.004 0.000 1.054 475 I HN 0.132 nan 8.210 nan 0.000 0.407 476 Y N 1.543 121.859 120.300 0.026 0.000 2.145 476 Y HA 0.065 4.615 4.550 -0.000 0.000 0.286 476 Y C 1.126 177.080 175.900 0.090 0.000 1.145 476 Y CA 1.329 59.443 58.100 0.023 0.000 1.148 476 Y CB 0.013 38.488 38.460 0.024 0.000 0.981 476 Y HN 0.283 nan 8.280 nan 0.000 0.507 477 G N -2.254 106.732 108.800 0.310 0.000 2.760 477 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.540 477 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.540 477 G C -0.744 174.391 174.900 0.391 0.000 1.476 477 G CA -0.425 44.791 45.100 0.193 0.000 0.949 477 G HN 0.047 nan 8.290 nan 0.000 0.633 478 Y N 0.802 121.154 120.300 0.086 0.000 2.574 478 Y HA 0.028 4.578 4.550 -0.000 0.000 0.294 478 Y C 2.256 178.188 175.900 0.055 0.000 1.142 478 Y CA 1.281 59.416 58.100 0.058 0.000 1.314 478 Y CB 0.025 38.496 38.460 0.019 0.000 0.991 478 Y HN 0.658 nan 8.280 nan 0.000 0.555 479 D N -0.975 119.542 120.400 0.194 0.000 2.323 479 D HA -0.072 4.568 4.640 -0.000 0.000 0.209 479 D C 1.793 178.160 176.300 0.111 0.000 0.973 479 D CA 0.734 54.800 54.000 0.110 0.000 0.874 479 D CB 0.213 41.046 40.800 0.056 0.000 0.930 479 D HN 0.211 nan 8.370 nan 0.000 0.521 480 E N 0.036 120.345 120.200 0.183 0.000 2.389 480 E HA 0.044 4.394 4.350 -0.000 0.000 0.199 480 E C 0.472 177.274 176.600 0.338 0.000 0.978 480 E CA -0.088 56.456 56.400 0.238 0.000 0.912 480 E CB 0.583 30.447 29.700 0.274 0.000 0.907 480 E HN 0.193 nan 8.360 nan 0.000 0.494 481 I N 4.337 125.073 120.570 0.277 0.000 2.919 481 I HA -0.062 4.108 4.170 -0.000 0.000 0.299 481 I C -2.009 174.136 176.117 0.047 0.000 1.221 481 I CA -1.565 59.770 61.300 0.059 0.000 1.424 481 I CB -1.113 36.794 38.000 -0.155 0.000 1.358 481 I HN -0.171 nan 8.210 nan 0.000 0.551 482 P HA 0.185 nan 4.420 nan 0.000 0.278 482 P C -0.353 176.939 177.300 -0.013 0.000 1.238 482 P CA -0.521 62.598 63.100 0.031 0.000 0.794 482 P CB 0.773 32.501 31.700 0.047 0.000 0.955 483 S N 1.255 116.951 115.700 -0.007 0.000 2.416 483 S HA 0.484 4.954 4.470 -0.000 0.000 0.287 483 S C 0.080 174.666 174.600 -0.024 0.000 1.139 483 S CA -0.231 57.958 58.200 -0.019 0.000 1.058 483 S CB -0.822 62.373 63.200 -0.009 0.000 0.967 483 S HN 0.545 nan 8.310 nan 0.000 0.495 484 S N 4.867 120.544 115.700 -0.039 0.000 2.740 484 S HA 0.829 5.299 4.470 -0.000 0.000 0.300 484 S C -1.150 173.416 174.600 -0.057 0.000 1.147 484 S CA -0.883 57.289 58.200 -0.047 0.000 0.871 484 S CB 0.919 64.087 63.200 -0.054 0.000 1.173 484 S HN 0.568 nan 8.310 nan 0.000 0.510 485 L N 1.394 122.573 121.223 -0.075 0.000 2.422 485 L HA 0.594 4.934 4.340 -0.000 0.000 0.264 485 L C -2.415 174.355 176.870 -0.166 0.000 0.984 485 L CA -1.850 52.934 54.840 -0.094 0.000 0.819 485 L CB 2.409 44.428 42.059 -0.068 0.000 1.330 485 L HN 0.649 nan 8.230 nan 0.000 0.410 486 P HA 0.204 nan 4.420 nan 0.000 0.276 486 P C -0.908 176.003 177.300 -0.648 0.000 1.230 486 P CA -0.330 62.509 63.100 -0.435 0.000 0.776 486 P CB 1.291 32.671 31.700 -0.532 0.000 0.888 487 V N 4.238 123.863 119.914 -0.483 0.000 2.334 487 V HA 0.191 4.311 4.120 -0.000 0.000 0.267 487 V C 0.112 175.994 176.094 -0.353 0.000 1.040 487 V CA -0.382 61.706 62.300 -0.353 0.000 0.866 487 V CB -0.691 31.037 31.823 -0.160 0.000 1.019 487 V HN 0.329 nan 8.190 nan 0.000 0.468 488 F N 2.587 122.536 119.950 -0.002 0.000 2.412 488 F HA 0.517 5.044 4.527 -0.000 0.000 0.348 488 F C 1.479 177.279 175.800 -0.000 0.000 1.102 488 F CA -0.223 57.776 58.000 -0.001 0.000 1.196 488 F CB 1.058 40.057 39.000 -0.000 0.000 1.144 488 F HN 0.499 nan 8.300 nan 0.000 0.541 489 G N 1.316 110.222 108.800 0.176 0.000 2.656 489 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.211 489 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.211 489 G C 0.160 175.110 174.900 0.083 0.000 1.137 489 G CA -0.128 45.028 45.100 0.093 0.000 0.802 489 G HN 0.608 nan 8.290 nan 0.000 0.527 490 E N 1.160 121.417 120.200 0.095 0.000 2.089 490 E HA 0.411 4.760 4.350 -0.000 0.000 0.284 490 E C -0.907 175.726 176.600 0.054 0.000 1.023 490 E CA -0.525 55.909 56.400 0.056 0.000 0.819 490 E CB 1.208 30.927 29.700 0.032 0.000 1.076 490 E HN -0.086 nan 8.360 nan 0.000 0.396 491 V N 5.010 124.950 119.914 0.044 0.000 2.432 491 V HA 0.373 4.493 4.120 -0.000 0.000 0.275 491 V C 0.218 176.319 176.094 0.011 0.000 1.043 491 V CA -0.190 62.135 62.300 0.041 0.000 0.925 491 V CB 1.133 32.983 31.823 0.045 0.000 0.985 491 V HN 0.888 nan 8.190 nan 0.000 0.466 492 T N 0.841 115.392 114.554 -0.005 0.000 2.912 492 T HA 0.495 4.844 4.350 -0.000 0.000 0.299 492 T C -0.392 174.302 174.700 -0.010 0.000 1.052 492 T CA -0.639 61.451 62.100 -0.017 0.000 0.996 492 T CB 1.736 70.579 68.868 -0.042 0.000 1.070 492 T HN 0.528 nan 8.240 nan 0.000 0.465 493 S N 1.362 117.061 115.700 -0.003 0.000 2.528 493 S HA 0.561 5.031 4.470 -0.000 0.000 0.277 493 S C 0.814 175.413 174.600 -0.001 0.000 1.297 493 S CA -0.321 57.882 58.200 0.005 0.000 1.052 493 S CB -0.303 62.901 63.200 0.008 0.000 0.917 493 S HN 1.164 nan 8.310 nan 0.000 0.492 494 G N 3.841 112.643 108.800 0.004 0.000 2.333 494 G HA2 0.507 4.466 3.960 -0.000 0.000 0.290 494 G HA3 0.507 4.466 3.960 -0.000 0.000 0.290 494 G C -0.763 174.147 174.900 0.017 0.000 1.150 494 G CA -0.430 44.671 45.100 0.002 0.000 0.895 494 G HN 0.755 nan 8.290 nan 0.000 0.444 495 E N 1.379 121.591 120.200 0.020 0.000 2.390 495 E HA 0.262 4.612 4.350 -0.000 0.000 0.277 495 E C -0.500 176.130 176.600 0.049 0.000 0.939 495 E CA -0.901 55.523 56.400 0.040 0.000 0.769 495 E CB 2.180 31.902 29.700 0.036 0.000 1.251 495 E HN 0.328 nan 8.360 nan 0.000 0.450 496 L N 1.833 123.105 121.223 0.082 0.000 2.483 496 L HA 0.084 4.424 4.340 -0.000 0.000 0.276 496 L C 1.150 178.072 176.870 0.087 0.000 1.213 496 L CA 0.063 54.958 54.840 0.092 0.000 0.843 496 L CB -0.171 41.967 42.059 0.132 0.000 1.107 496 L HN 0.703 nan 8.230 nan 0.000 0.487 497 T N -2.117 112.479 114.554 0.069 0.000 2.701 497 T HA -0.007 4.343 4.350 -0.000 0.000 0.303 497 T C 0.809 175.557 174.700 0.080 0.000 1.030 497 T CA -0.616 61.517 62.100 0.055 0.000 1.010 497 T CB 0.652 69.546 68.868 0.043 0.000 1.007 497 T HN 0.544 nan 8.240 nan 0.000 0.532 498 D N -0.136 120.293 120.400 0.050 0.000 2.104 498 D HA -0.113 4.527 4.640 -0.000 0.000 0.194 498 D C 2.155 178.506 176.300 0.084 0.000 0.994 498 D CA 1.318 55.350 54.000 0.053 0.000 0.830 498 D CB -0.294 40.514 40.800 0.013 0.000 0.959 498 D HN 0.648 nan 8.370 nan 0.000 0.452 499 R N 0.393 120.931 120.500 0.063 0.000 2.092 499 R HA -0.113 4.227 4.340 -0.000 0.000 0.231 499 R C 2.178 178.550 176.300 0.120 0.000 1.119 499 R CA 1.179 57.320 56.100 0.068 0.000 0.970 499 R CB 0.024 30.350 30.300 0.043 0.000 0.864 499 R HN 0.230 nan 8.270 nan 0.000 0.440 500 Q N -0.864 119.003 119.800 0.111 0.000 2.016 500 Q HA -0.211 4.129 4.340 -0.000 0.000 0.200 500 Q C 2.189 178.252 176.000 0.104 0.000 0.978 500 Q CA 1.592 57.457 55.803 0.102 0.000 0.833 500 Q CB -0.266 28.520 28.738 0.080 0.000 0.895 500 Q HN 0.468 nan 8.270 nan 0.000 0.427 501 H N 1.281 120.379 119.070 0.047 0.000 2.289 501 H HA -0.129 4.427 4.556 -0.000 0.000 0.296 501 H C 1.777 177.135 175.328 0.051 0.000 1.091 501 H CA 1.795 57.868 56.048 0.042 0.000 1.274 501 H CB 0.281 30.062 29.762 0.032 0.000 1.364 501 H HN 0.134 nan 8.280 nan 0.000 0.490 502 K N -0.627 119.914 120.400 0.235 0.000 2.103 502 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 502 K C 2.214 178.902 176.600 0.146 0.000 1.048 502 K CA 1.737 58.132 56.287 0.180 0.000 0.930 502 K CB -0.005 32.577 32.500 0.137 0.000 0.716 502 K HN 0.269 nan 8.250 nan 0.000 0.444 503 T N 0.773 115.422 114.554 0.159 0.000 2.770 503 T HA -0.070 4.280 4.350 -0.000 0.000 0.263 503 T C 1.809 176.532 174.700 0.038 0.000 1.039 503 T CA 0.956 63.145 62.100 0.149 0.000 1.142 503 T CB -0.100 68.872 68.868 0.173 0.000 0.868 503 T HN 0.195 nan 8.240 nan 0.000 0.435 504 R N 0.545 121.037 120.500 -0.013 0.000 2.117 504 R HA -0.096 4.244 4.340 -0.000 0.000 0.243 504 R C 2.657 178.918 176.300 -0.065 0.000 1.143 504 R CA 1.752 57.813 56.100 -0.065 0.000 0.968 504 R CB -0.521 29.692 30.300 -0.144 0.000 0.863 504 R HN 0.276 nan 8.270 nan 0.000 0.444 505 T N 0.733 115.252 114.554 -0.058 0.000 2.851 505 T HA -0.055 4.294 4.350 -0.000 0.000 0.262 505 T C 1.561 176.249 174.700 -0.020 0.000 1.043 505 T CA 0.729 62.811 62.100 -0.029 0.000 1.140 505 T CB -0.109 68.782 68.868 0.038 0.000 0.872 505 T HN 0.048 nan 8.240 nan 0.000 0.446 506 L N 1.459 122.678 121.223 -0.006 0.000 2.017 506 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 506 L C 2.197 178.983 176.870 -0.141 0.000 1.073 506 L CA 1.839 56.653 54.840 -0.043 0.000 0.745 506 L CB -0.520 41.550 42.059 0.018 0.000 0.894 506 L HN 0.085 nan 8.230 nan 0.000 0.432 507 K N -0.645 119.681 120.400 -0.125 0.000 2.059 507 K HA -0.221 4.099 4.320 -0.000 0.000 0.212 507 K C 2.025 178.575 176.600 -0.083 0.000 1.050 507 K CA 1.685 57.892 56.287 -0.133 0.000 0.927 507 K CB -0.252 32.277 32.500 0.048 0.000 0.714 507 K HN 0.304 nan 8.250 nan 0.000 0.447 508 E N 0.061 120.235 120.200 -0.042 0.000 2.097 508 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 508 E C 2.146 178.724 176.600 -0.036 0.000 1.000 508 E CA 1.449 57.835 56.400 -0.024 0.000 0.804 508 E CB -0.400 29.287 29.700 -0.022 0.000 0.740 508 E HN 0.274 nan 8.360 nan 0.000 0.454 509 T N 0.198 114.714 114.554 -0.063 0.000 2.942 509 T HA -0.002 4.348 4.350 -0.000 0.000 0.265 509 T C 2.050 176.701 174.700 -0.081 0.000 1.062 509 T CA 0.384 62.449 62.100 -0.059 0.000 1.139 509 T CB -0.013 68.820 68.868 -0.058 0.000 0.883 509 T HN 0.011 nan 8.240 nan 0.000 0.468 510 L N 0.276 121.399 121.223 -0.167 0.000 2.072 510 L HA 0.014 4.354 4.340 -0.000 0.000 0.205 510 L C 2.696 179.541 176.870 -0.041 0.000 1.079 510 L CA 1.449 56.167 54.840 -0.202 0.000 0.752 510 L CB -0.412 41.280 42.059 -0.612 0.000 0.906 510 L HN 0.301 nan 8.230 nan 0.000 0.436 511 E N 0.214 120.415 120.200 0.002 0.000 2.051 511 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 511 E C 2.228 178.863 176.600 0.059 0.000 0.991 511 E CA 1.085 57.541 56.400 0.093 0.000 0.799 511 E CB -0.445 29.320 29.700 0.109 0.000 0.748 511 E HN 0.519 nan 8.360 nan 0.000 0.449 512 G N 0.849 109.665 108.800 0.028 0.000 2.532 512 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.222 512 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.222 512 G C 1.327 176.252 174.900 0.042 0.000 1.102 512 G CA 0.899 46.013 45.100 0.024 0.000 0.742 512 G HN 0.347 nan 8.290 nan 0.000 0.577 513 A N -0.939 121.920 122.820 0.066 0.000 2.423 513 A HA 0.547 4.867 4.320 -0.000 0.000 0.246 513 A C 1.715 179.428 177.584 0.216 0.000 1.278 513 A CA 0.984 53.103 52.037 0.137 0.000 0.903 513 A CB -0.107 18.962 19.000 0.115 0.000 0.997 513 A HN 1.531 nan 8.150 nan 0.000 0.510 514 G N -1.429 107.455 108.800 0.140 0.000 2.159 514 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.227 514 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.227 514 G C -0.258 174.749 174.900 0.178 0.000 0.986 514 G CA 0.041 45.223 45.100 0.137 0.000 0.651 514 G HN 0.334 nan 8.290 nan 0.000 0.523 515 L N 1.736 123.078 121.223 0.199 0.000 2.289 515 L HA 0.497 4.837 4.340 -0.000 0.000 0.285 515 L C 0.225 177.252 176.870 0.262 0.000 1.049 515 L CA -0.829 54.160 54.840 0.249 0.000 0.804 515 L CB 1.239 43.495 42.059 0.328 0.000 1.195 515 L HN 0.105 nan 8.230 nan 0.000 0.428 516 N N 2.538 121.330 118.700 0.153 0.000 2.518 516 N HA 0.104 4.844 4.740 -0.000 0.000 0.283 516 N C -0.429 175.000 175.510 -0.135 0.000 1.119 516 N CA -0.372 52.706 53.050 0.047 0.000 0.983 516 N CB 1.358 39.846 38.487 0.002 0.000 1.139 516 N HN 0.568 nan 8.380 nan 0.000 0.465 517 Q N 1.385 121.031 119.800 -0.257 0.000 2.296 517 Q HA 0.304 4.644 4.340 -0.000 0.000 0.263 517 Q C -0.811 174.938 176.000 -0.419 0.000 1.026 517 Q CA -0.472 54.924 55.803 -0.679 0.000 0.912 517 Q CB 0.502 28.979 28.738 -0.436 0.000 1.198 517 Q HN 0.616 nan 8.270 nan 0.000 0.407 518 A N 5.229 127.779 122.820 -0.451 0.000 2.304 518 A HA 0.594 4.913 4.320 -0.000 0.000 0.301 518 A C -0.511 176.918 177.584 -0.258 0.000 1.132 518 A CA -0.535 51.331 52.037 -0.285 0.000 0.819 518 A CB 0.633 19.497 19.000 -0.226 0.000 1.094 518 A HN 0.838 nan 8.150 nan 0.000 0.492 519 I N 2.153 122.591 120.570 -0.219 0.000 2.439 519 I HA 0.301 4.470 4.170 -0.000 0.000 0.285 519 I C 0.370 176.335 176.117 -0.254 0.000 1.021 519 I CA -0.325 60.855 61.300 -0.200 0.000 1.091 519 I CB 2.150 40.044 38.000 -0.178 0.000 1.242 519 I HN 0.816 nan 8.210 nan 0.000 0.439 520 T N 1.690 116.122 114.554 -0.203 0.000 2.944 520 T HA 0.496 4.846 4.350 -0.000 0.000 0.284 520 T C -0.394 174.168 174.700 -0.230 0.000 1.010 520 T CA -0.569 61.385 62.100 -0.242 0.000 1.025 520 T CB 1.039 69.880 68.868 -0.045 0.000 1.079 520 T HN 0.157 nan 8.240 nan 0.000 0.516 521 Y N 1.253 121.421 120.300 -0.221 0.000 2.465 521 Y HA 0.240 4.790 4.550 -0.000 0.000 0.331 521 Y C 2.069 178.022 175.900 0.088 0.000 1.102 521 Y CA -0.282 57.712 58.100 -0.177 0.000 1.358 521 Y CB 0.346 38.573 38.460 -0.388 0.000 1.213 521 Y HN 0.800 nan 8.280 nan 0.000 0.525 522 S N 2.270 118.098 115.700 0.214 0.000 2.440 522 S HA -0.080 4.390 4.470 -0.000 0.000 0.238 522 S C 0.453 175.155 174.600 0.170 0.000 1.010 522 S CA 0.699 59.017 58.200 0.197 0.000 0.972 522 S CB -0.231 63.044 63.200 0.125 0.000 0.774 522 S HN 0.438 nan 8.310 nan 0.000 0.501 523 L N 2.268 123.608 121.223 0.194 0.000 2.307 523 L HA 0.525 4.865 4.340 -0.000 0.000 0.284 523 L C -0.123 176.977 176.870 0.382 0.000 1.023 523 L CA -0.781 54.160 54.840 0.168 0.000 0.810 523 L CB 1.564 43.662 42.059 0.065 0.000 1.231 523 L HN 0.004 nan 8.230 nan 0.000 0.423 524 V N -0.400 119.628 119.914 0.190 0.000 3.204 524 V HA 0.679 4.799 4.120 -0.000 0.000 0.316 524 V C 0.241 176.385 176.094 0.083 0.000 1.160 524 V CA -0.918 61.451 62.300 0.115 0.000 1.044 524 V CB 1.677 33.470 31.823 -0.049 0.000 1.136 524 V HN 0.766 nan 8.190 nan 0.000 0.455 525 S N -0.330 115.412 115.700 0.070 0.000 2.564 525 S HA 0.207 4.677 4.470 -0.000 0.000 0.278 525 S C 0.859 175.461 174.600 0.005 0.000 1.333 525 S CA 0.350 58.570 58.200 0.034 0.000 1.048 525 S CB 0.753 63.987 63.200 0.057 0.000 0.900 525 S HN 0.954 nan 8.310 nan 0.000 0.505 526 K N 1.442 121.825 120.400 -0.028 0.000 2.281 526 K HA -0.152 4.167 4.320 -0.000 0.000 0.203 526 K C 0.830 177.384 176.600 -0.076 0.000 1.046 526 K CA 1.708 57.971 56.287 -0.040 0.000 0.938 526 K CB -0.213 32.262 32.500 -0.042 0.000 0.737 526 K HN 0.689 nan 8.250 nan 0.000 0.458 527 D N -0.614 119.700 120.400 -0.143 0.000 2.312 527 D HA -0.097 4.542 4.640 -0.000 0.000 0.211 527 D C 0.971 177.067 176.300 -0.340 0.000 0.964 527 D CA 0.954 54.786 54.000 -0.279 0.000 0.877 527 D CB 0.210 40.746 40.800 -0.440 0.000 0.924 527 D HN 0.322 nan 8.370 nan 0.000 0.515 528 H N -1.617 117.424 119.070 -0.047 0.000 3.058 528 H HA 0.412 4.968 4.556 -0.000 0.000 0.266 528 H C 1.465 176.765 175.328 -0.046 0.000 1.135 528 H CA 0.138 56.153 56.048 -0.055 0.000 1.174 528 H CB 0.663 30.392 29.762 -0.056 0.000 1.581 528 H HN 0.014 nan 8.280 nan 0.000 0.553 529 A N 0.595 123.444 122.820 0.049 0.000 2.172 529 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 529 A C 1.963 179.561 177.584 0.024 0.000 1.154 529 A CA 1.279 53.330 52.037 0.023 0.000 0.701 529 A CB 0.022 19.021 19.000 -0.002 0.000 0.789 529 A HN 0.151 nan 8.150 nan 0.000 0.465 530 K N -0.614 119.804 120.400 0.030 0.000 2.440 530 K HA 0.095 4.415 4.320 -0.000 0.000 0.207 530 K C -0.905 175.713 176.600 0.031 0.000 1.112 530 K CA -0.236 56.076 56.287 0.041 0.000 1.036 530 K CB 0.474 32.988 32.500 0.024 0.000 0.935 530 K HN 0.243 nan 8.250 nan 0.000 0.564 531 D N 0.998 121.400 120.400 0.004 0.000 2.752 531 D HA -0.137 4.502 4.640 -0.000 0.000 0.225 531 D C 0.192 176.512 176.300 0.034 0.000 1.104 531 D CA 1.096 55.030 54.000 -0.110 0.000 0.832 531 D CB 0.023 40.793 40.800 -0.050 0.000 1.161 531 D HN 0.076 nan 8.370 nan 0.000 0.505 532 F N -1.466 118.536 119.950 0.085 0.000 2.890 532 F HA -0.329 4.198 4.527 -0.000 0.000 0.346 532 F C 1.172 177.087 175.800 0.191 0.000 0.660 532 F CA 0.652 58.712 58.000 0.100 0.000 1.091 532 F CB -1.987 37.126 39.000 0.189 0.000 1.535 532 F HN 0.415 nan 8.300 nan 0.000 0.314 533 A N 0.742 123.743 122.820 0.302 0.000 2.440 533 A HA 0.538 4.858 4.320 -0.000 0.000 0.251 533 A C 1.060 178.790 177.584 0.244 0.000 1.089 533 A CA 0.066 52.306 52.037 0.338 0.000 0.779 533 A CB 0.444 19.632 19.000 0.314 0.000 1.022 533 A HN 0.390 nan 8.150 nan 0.000 0.492 534 L N 0.613 121.991 121.223 0.258 0.000 2.445 534 L HA 0.080 4.420 4.340 -0.000 0.000 0.207 534 L C 0.761 177.696 176.870 0.107 0.000 1.053 534 L CA 0.290 55.227 54.840 0.162 0.000 0.841 534 L CB -0.286 41.880 42.059 0.179 0.000 1.074 534 L HN 0.646 nan 8.230 nan 0.000 0.479 535 Q N 1.658 121.517 119.800 0.098 0.000 2.286 535 Q HA 0.110 4.450 4.340 -0.000 0.000 0.257 535 Q C -0.508 175.546 176.000 0.090 0.000 0.941 535 Q CA 0.181 56.011 55.803 0.045 0.000 0.912 535 Q CB 1.724 30.431 28.738 -0.051 0.000 1.192 535 Q HN 0.174 nan 8.270 nan 0.000 0.410 536 E N 2.112 122.352 120.200 0.067 0.000 2.338 536 E HA 0.263 4.613 4.350 -0.000 0.000 0.272 536 E C -0.713 175.941 176.600 0.091 0.000 1.029 536 E CA -0.082 56.368 56.400 0.083 0.000 0.872 536 E CB 0.633 30.364 29.700 0.052 0.000 1.015 536 E HN 0.334 nan 8.360 nan 0.000 0.417 537 R N 3.596 124.178 120.500 0.136 0.000 2.725 537 R HA 0.287 4.627 4.340 -0.000 0.000 0.254 537 R C -2.873 173.537 176.300 0.182 0.000 1.076 537 R CA -1.417 54.791 56.100 0.180 0.000 0.940 537 R CB 1.248 31.725 30.300 0.295 0.000 1.260 537 R HN 0.366 nan 8.270 nan 0.000 0.466 538 P HA 0.170 nan 4.420 nan 0.000 0.275 538 P C -0.695 176.668 177.300 0.105 0.000 1.228 538 P CA -0.296 62.866 63.100 0.104 0.000 0.786 538 P CB 0.929 32.676 31.700 0.079 0.000 0.927 539 T N -0.431 114.157 114.554 0.058 0.000 2.912 539 T HA 0.612 4.962 4.350 -0.000 0.000 0.280 539 T C 0.119 174.828 174.700 0.014 0.000 0.989 539 T CA -0.767 61.347 62.100 0.024 0.000 0.995 539 T CB 0.599 69.469 68.868 0.004 0.000 1.077 539 T HN 0.150 nan 8.240 nan 0.000 0.531 540 I N 1.999 122.562 120.570 -0.011 0.000 2.411 540 I HA 0.328 4.497 4.170 -0.000 0.000 0.284 540 I C -0.095 175.991 176.117 -0.051 0.000 1.012 540 I CA -0.566 60.718 61.300 -0.027 0.000 1.119 540 I CB 1.504 39.479 38.000 -0.043 0.000 1.261 540 I HN 0.690 nan 8.210 nan 0.000 0.448 541 S N 6.404 122.083 115.700 -0.036 0.000 2.593 541 S HA 0.655 5.125 4.470 -0.000 0.000 0.297 541 S C -0.038 174.538 174.600 -0.040 0.000 1.112 541 S CA -0.637 57.541 58.200 -0.037 0.000 1.043 541 S CB 2.023 65.209 63.200 -0.024 0.000 1.054 541 S HN 0.356 nan 8.310 nan 0.000 0.516 542 L N 2.938 124.137 121.223 -0.040 0.000 2.395 542 L HA 0.318 4.658 4.340 -0.000 0.000 0.269 542 L C 1.303 178.158 176.870 -0.024 0.000 1.133 542 L CA -0.454 54.364 54.840 -0.037 0.000 0.812 542 L CB 0.341 42.379 42.059 -0.036 0.000 1.125 542 L HN 0.685 nan 8.230 nan 0.000 0.452 543 L N 2.132 123.342 121.223 -0.021 0.000 2.046 543 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 543 L C 0.844 177.706 176.870 -0.013 0.000 1.077 543 L CA 1.755 56.586 54.840 -0.015 0.000 0.747 543 L CB -0.143 41.909 42.059 -0.012 0.000 0.896 543 L HN 0.644 nan 8.230 nan 0.000 0.432 544 M N 0.186 119.778 119.600 -0.014 0.000 2.389 544 M HA 0.314 4.793 4.480 -0.000 0.000 0.206 544 M C -2.408 173.885 176.300 -0.011 0.000 0.976 544 M CA -1.604 53.689 55.300 -0.011 0.000 0.648 544 M CB 1.147 33.743 32.600 -0.007 0.000 1.474 544 M HN -0.190 nan 8.290 nan 0.000 0.398 545 P HA 0.150 nan 4.420 nan 0.000 0.269 545 P C 0.425 177.722 177.300 -0.005 0.000 1.209 545 P CA -0.125 62.971 63.100 -0.006 0.000 0.776 545 P CB 0.823 32.521 31.700 -0.004 0.000 0.876 546 M N -0.353 119.247 119.600 0.000 0.000 2.447 546 M HA 0.031 4.511 4.480 -0.000 0.000 0.264 546 M C 0.867 177.165 176.300 -0.003 0.000 1.095 546 M CA 0.958 56.257 55.300 -0.001 0.000 1.125 546 M CB -0.520 32.080 32.600 -0.001 0.000 1.389 546 M HN 0.405 nan 8.290 nan 0.000 0.459 547 S N -0.331 115.369 115.700 -0.001 0.000 2.540 547 S HA 0.272 4.742 4.470 -0.000 0.000 0.275 547 S C 0.521 175.091 174.600 -0.051 0.000 1.123 547 S CA -0.567 57.611 58.200 -0.036 0.000 0.907 547 S CB 1.698 64.858 63.200 -0.066 0.000 1.081 547 S HN 0.241 nan 8.310 nan 0.000 0.476 548 E N 2.270 122.434 120.200 -0.061 0.000 2.333 548 E HA -0.119 4.231 4.350 -0.000 0.000 0.198 548 E C 1.824 178.368 176.600 -0.093 0.000 1.007 548 E CA 1.037 57.401 56.400 -0.060 0.000 0.845 548 E CB -0.084 29.587 29.700 -0.048 0.000 0.766 548 E HN 0.709 nan 8.360 nan 0.000 0.507 549 A N 0.526 123.224 122.820 -0.202 0.000 2.119 549 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 549 A C 0.739 178.090 177.584 -0.388 0.000 1.153 549 A CA 0.893 52.711 52.037 -0.365 0.000 0.692 549 A CB 0.065 18.688 19.000 -0.629 0.000 0.799 549 A HN 0.188 nan 8.150 nan 0.000 0.458 550 H N -1.878 117.185 119.070 -0.011 0.000 2.616 550 H HA 0.551 5.106 4.556 -0.000 0.000 0.229 550 H C 0.802 176.107 175.328 -0.038 0.000 1.418 550 H CA 0.098 56.128 56.048 -0.030 0.000 1.248 550 H CB 0.104 29.800 29.762 -0.111 0.000 1.822 550 H HN 0.364 nan 8.280 nan 0.000 0.522 551 A N -0.020 122.835 122.820 0.057 0.000 2.055 551 A HA 0.215 4.535 4.320 -0.000 0.000 0.205 551 A C 0.783 178.364 177.584 -0.006 0.000 1.235 551 A CA 0.662 52.707 52.037 0.012 0.000 0.822 551 A CB 0.593 19.589 19.000 -0.007 0.000 0.903 551 A HN 0.212 nan 8.150 nan 0.000 0.473 552 T N 0.591 115.145 114.554 -0.000 0.000 2.886 552 T HA 0.500 4.850 4.350 -0.000 0.000 0.292 552 T C -0.567 174.111 174.700 -0.038 0.000 1.012 552 T CA -0.445 61.639 62.100 -0.027 0.000 0.982 552 T CB 1.444 70.301 68.868 -0.019 0.000 1.018 552 T HN 0.195 nan 8.240 nan 0.000 0.451 553 L N 3.467 124.627 121.223 -0.105 0.000 2.638 553 L HA 0.257 4.596 4.340 -0.000 0.000 0.273 553 L C 1.019 177.874 176.870 -0.024 0.000 1.147 553 L CA -0.252 54.505 54.840 -0.138 0.000 0.941 553 L CB -0.383 41.439 42.059 -0.395 0.000 1.251 553 L HN 0.706 nan 8.230 nan 0.000 0.479 554 R N 3.177 123.688 120.500 0.019 0.000 2.582 554 R HA -0.238 4.101 4.340 -0.000 0.000 0.225 554 R C 0.387 176.659 176.300 -0.048 0.000 1.110 554 R CA 0.766 56.895 56.100 0.047 0.000 1.084 554 R CB -0.115 30.281 30.300 0.159 0.000 2.842 554 R HN 0.686 nan 8.270 nan 0.000 0.411 555 Q N 1.270 120.995 119.800 -0.125 0.000 2.198 555 Q HA 0.162 4.502 4.340 -0.000 0.000 0.209 555 Q C -0.254 175.705 176.000 -0.068 0.000 0.848 555 Q CA 0.371 55.980 55.803 -0.322 0.000 0.974 555 Q CB 1.117 29.704 28.738 -0.250 0.000 1.115 555 Q HN 0.562 nan 8.270 nan 0.000 0.494 556 S N -0.913 114.811 115.700 0.039 0.000 2.587 556 S HA 0.362 4.831 4.470 -0.000 0.000 0.269 556 S C -0.511 174.173 174.600 0.140 0.000 1.154 556 S CA -0.653 57.673 58.200 0.210 0.000 0.824 556 S CB 0.652 64.070 63.200 0.365 0.000 1.118 556 S HN 0.212 nan 8.310 nan 0.000 0.462 557 L N 2.606 123.923 121.223 0.157 0.000 2.585 557 L HA 0.319 4.658 4.340 -0.000 0.000 0.226 557 L C 1.701 178.603 176.870 0.054 0.000 1.113 557 L CA 0.135 55.028 54.840 0.089 0.000 0.876 557 L CB -0.209 41.889 42.059 0.065 0.000 1.072 557 L HN 0.622 nan 8.230 nan 0.000 0.468 558 L N 0.301 121.557 121.223 0.054 0.000 2.109 558 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 558 L C -0.198 176.702 176.870 0.049 0.000 1.086 558 L CA 1.081 55.903 54.840 -0.030 0.000 0.760 558 L CB -1.464 40.438 42.059 -0.262 0.000 0.910 558 L HN 0.186 nan 8.230 nan 0.000 0.437 559 P HA -0.204 nan 4.420 nan 0.000 0.215 559 P C 1.208 178.511 177.300 0.005 0.000 1.163 559 P CA 1.709 64.819 63.100 0.017 0.000 0.894 559 P CB -0.048 31.591 31.700 -0.101 0.000 0.791 560 H N -1.934 117.163 119.070 0.044 0.000 2.502 560 H HA 0.081 4.637 4.556 -0.000 0.000 0.283 560 H C 1.889 177.212 175.328 -0.008 0.000 1.015 560 H CA 0.267 56.334 56.048 0.031 0.000 1.298 560 H CB -0.289 29.505 29.762 0.053 0.000 1.411 560 H HN 0.052 nan 8.280 nan 0.000 0.556 561 L N 0.090 121.366 121.223 0.090 0.000 2.179 561 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 561 L C 1.987 178.865 176.870 0.013 0.000 1.096 561 L CA 0.628 55.474 54.840 0.011 0.000 0.779 561 L CB -0.083 41.949 42.059 -0.045 0.000 0.922 561 L HN 0.329 nan 8.230 nan 0.000 0.443 562 I N -0.100 120.485 120.570 0.025 0.000 2.142 562 I HA -0.309 3.861 4.170 -0.000 0.000 0.240 562 I C 2.565 178.717 176.117 0.057 0.000 1.078 562 I CA 1.397 62.718 61.300 0.035 0.000 1.343 562 I CB -0.333 37.697 38.000 0.048 0.000 1.046 562 I HN 0.327 nan 8.210 nan 0.000 0.405 563 E N 1.458 121.703 120.200 0.075 0.000 2.086 563 E HA -0.311 4.039 4.350 -0.000 0.000 0.200 563 E C 2.197 178.862 176.600 0.108 0.000 1.012 563 E CA 1.842 58.305 56.400 0.104 0.000 0.812 563 E CB -0.094 29.701 29.700 0.160 0.000 0.743 563 E HN 0.501 nan 8.360 nan 0.000 0.453 564 A N -0.241 122.615 122.820 0.060 0.000 2.015 564 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 564 A C 2.275 179.901 177.584 0.070 0.000 1.163 564 A CA 1.832 53.873 52.037 0.007 0.000 0.646 564 A CB -0.507 18.457 19.000 -0.060 0.000 0.806 564 A HN 0.349 nan 8.150 nan 0.000 0.448 565 T N -0.237 114.359 114.554 0.070 0.000 2.852 565 T HA 0.168 4.518 4.350 -0.000 0.000 0.256 565 T C 2.322 177.080 174.700 0.097 0.000 1.038 565 T CA 1.041 63.185 62.100 0.075 0.000 1.141 565 T CB -0.407 68.489 68.868 0.048 0.000 0.869 565 T HN 0.559 nan 8.240 nan 0.000 0.439 566 A N 0.975 123.853 122.820 0.096 0.000 1.903 566 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 566 A C 2.070 179.732 177.584 0.130 0.000 1.191 566 A CA 2.091 54.186 52.037 0.097 0.000 0.638 566 A CB -1.230 17.825 19.000 0.092 0.000 0.823 566 A HN 0.657 nan 8.150 nan 0.000 0.451 567 Y N 0.781 121.095 120.300 0.024 0.000 2.133 567 Y HA -0.217 4.333 4.550 -0.000 0.000 0.287 567 Y C 2.504 178.414 175.900 0.018 0.000 1.134 567 Y CA 1.976 60.089 58.100 0.022 0.000 1.133 567 Y CB -0.214 38.260 38.460 0.022 0.000 0.987 567 Y HN 0.337 nan 8.280 nan 0.000 0.502 568 N N 0.028 118.935 118.700 0.344 0.000 2.069 568 N HA -0.208 4.532 4.740 -0.000 0.000 0.191 568 N C 1.881 177.441 175.510 0.084 0.000 1.031 568 N CA 1.877 55.048 53.050 0.203 0.000 0.852 568 N CB -0.490 38.089 38.487 0.154 0.000 1.018 568 N HN 0.285 nan 8.380 nan 0.000 0.423 569 V N 1.927 121.885 119.914 0.074 0.000 2.343 569 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 569 V C 2.494 178.594 176.094 0.009 0.000 1.051 569 V CA 1.760 64.085 62.300 0.042 0.000 1.036 569 V CB -0.901 30.950 31.823 0.047 0.000 0.654 569 V HN 0.299 nan 8.190 nan 0.000 0.451 570 A N 0.306 123.117 122.820 -0.014 0.000 1.940 570 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 570 A C 2.074 179.612 177.584 -0.077 0.000 1.176 570 A CA 1.465 53.470 52.037 -0.054 0.000 0.631 570 A CB -0.390 18.555 19.000 -0.092 0.000 0.814 570 A HN 0.529 nan 8.150 nan 0.000 0.446 571 R N -0.730 119.713 120.500 -0.096 0.000 2.335 571 R HA 0.134 4.474 4.340 -0.000 0.000 0.223 571 R C -0.189 176.097 176.300 -0.023 0.000 0.940 571 R CA 0.520 56.572 56.100 -0.080 0.000 1.086 571 R CB -0.335 29.910 30.300 -0.092 0.000 1.073 571 R HN 0.624 nan 8.270 nan 0.000 0.504 572 K N -0.031 120.364 120.400 -0.008 0.000 3.423 572 K HA -0.103 4.217 4.320 -0.000 0.000 0.306 572 K C -0.588 176.025 176.600 0.022 0.000 1.331 572 K CA 0.596 56.888 56.287 0.008 0.000 0.905 572 K CB -1.062 31.440 32.500 0.004 0.000 1.332 572 K HN 0.179 nan 8.250 nan 0.000 0.473 573 N N 1.857 120.576 118.700 0.031 0.000 2.719 573 N HA 0.047 4.786 4.740 -0.000 0.000 0.243 573 N C 0.785 176.325 175.510 0.050 0.000 1.104 573 N CA 0.110 53.187 53.050 0.045 0.000 0.981 573 N CB 0.980 39.503 38.487 0.061 0.000 1.290 573 N HN 0.335 nan 8.380 nan 0.000 0.513 574 K N -0.859 119.569 120.400 0.047 0.000 2.305 574 K HA 0.111 4.431 4.320 -0.000 0.000 0.199 574 K C -0.332 176.306 176.600 0.063 0.000 1.047 574 K CA 0.541 56.859 56.287 0.052 0.000 0.976 574 K CB 0.529 33.057 32.500 0.047 0.000 0.765 574 K HN 0.080 nan 8.250 nan 0.000 0.474 575 D N 1.953 122.391 120.400 0.063 0.000 2.412 575 D HA 0.187 4.827 4.640 -0.000 0.000 0.224 575 D C -1.017 175.329 176.300 0.076 0.000 1.093 575 D CA -0.271 53.774 54.000 0.075 0.000 0.850 575 D CB 1.816 42.656 40.800 0.067 0.000 1.046 575 D HN -0.148 nan 8.370 nan 0.000 0.507 576 V N 3.407 123.372 119.914 0.086 0.000 2.487 576 V HA 0.503 4.623 4.120 -0.000 0.000 0.298 576 V C 0.051 176.200 176.094 0.093 0.000 1.028 576 V CA -0.804 61.543 62.300 0.078 0.000 0.860 576 V CB 2.025 33.888 31.823 0.067 0.000 0.991 576 V HN 0.328 nan 8.190 nan 0.000 0.427 577 R N 5.268 125.823 120.500 0.091 0.000 2.518 577 R HA 0.778 5.118 4.340 -0.000 0.000 0.296 577 R C -1.646 174.713 176.300 0.097 0.000 1.080 577 R CA -0.499 55.671 56.100 0.117 0.000 0.922 577 R CB 1.878 32.277 30.300 0.165 0.000 1.184 577 R HN 0.602 nan 8.270 nan 0.000 0.445 578 L N 2.918 124.187 121.223 0.077 0.000 2.393 578 L HA 0.657 4.997 4.340 -0.000 0.000 0.260 578 L C -1.027 175.881 176.870 0.063 0.000 1.002 578 L CA -1.356 53.498 54.840 0.024 0.000 0.818 578 L CB 1.842 43.869 42.059 -0.054 0.000 1.369 578 L HN 0.550 nan 8.230 nan 0.000 0.412 579 Y N -0.555 119.731 120.300 -0.024 0.000 2.581 579 Y HA 0.837 5.386 4.550 -0.000 0.000 0.345 579 Y C -1.193 174.671 175.900 -0.060 0.000 1.036 579 Y CA -0.928 57.145 58.100 -0.044 0.000 1.042 579 Y CB 1.968 40.467 38.460 0.065 0.000 1.289 579 Y HN 0.633 nan 8.280 nan 0.000 0.471 580 E N 2.573 122.773 120.200 0.000 0.000 2.352 580 E HA 0.529 4.879 4.350 -0.000 0.000 0.280 580 E C -2.047 174.599 176.600 0.077 0.000 0.930 580 E CA -0.773 55.580 56.400 -0.080 0.000 0.765 580 E CB 1.980 31.615 29.700 -0.108 0.000 1.219 580 E HN 0.794 nan 8.360 nan 0.000 0.434 581 I N 3.720 124.315 120.570 0.042 0.000 2.354 581 I HA 0.613 4.783 4.170 -0.000 0.000 0.286 581 I C 0.145 176.252 176.117 -0.018 0.000 1.007 581 I CA -0.489 60.796 61.300 -0.025 0.000 1.167 581 I CB 1.344 39.271 38.000 -0.120 0.000 1.320 581 I HN 0.594 nan 8.210 nan 0.000 0.458 582 G N 5.381 114.187 108.800 0.010 0.000 2.698 582 G HA2 0.537 4.497 3.960 -0.000 0.000 0.293 582 G HA3 0.537 4.497 3.960 -0.000 0.000 0.293 582 G C -1.151 173.723 174.900 -0.043 0.000 1.437 582 G CA -0.902 44.197 45.100 -0.002 0.000 0.852 582 G HN 0.452 nan 8.290 nan 0.000 0.499 583 R N -0.791 119.644 120.500 -0.108 0.000 2.594 583 R HA 0.508 4.848 4.340 -0.000 0.000 0.272 583 R C 0.540 176.524 176.300 -0.526 0.000 1.074 583 R CA -0.278 55.605 56.100 -0.361 0.000 1.105 583 R CB 1.378 31.379 30.300 -0.499 0.000 1.008 583 R HN 0.577 nan 8.270 nan 0.000 0.472 584 V N -0.424 119.023 119.914 -0.779 0.000 3.113 584 V HA 0.754 4.874 4.120 -0.000 0.000 0.316 584 V C -0.956 174.535 176.094 -1.006 0.000 1.125 584 V CA -0.993 60.854 62.300 -0.755 0.000 1.026 584 V CB 1.743 33.113 31.823 -0.754 0.000 1.080 584 V HN 0.546 nan 8.190 nan 0.000 0.444 585 F N 1.154 120.783 119.950 -0.535 0.000 2.574 585 F HA 0.809 5.336 4.527 -0.000 0.000 0.313 585 F C -0.940 174.558 175.800 -0.503 0.000 1.130 585 F CA -0.532 57.264 58.000 -0.340 0.000 0.936 585 F CB 2.105 40.999 39.000 -0.177 0.000 1.219 585 F HN 0.412 nan 8.300 nan 0.000 0.445 586 F N 0.977 121.009 119.950 0.137 0.000 2.557 586 F HA 0.605 5.132 4.527 -0.000 0.000 0.316 586 F C 0.511 176.359 175.800 0.082 0.000 1.141 586 F CA -1.345 56.705 58.000 0.083 0.000 0.922 586 F CB 2.078 41.104 39.000 0.043 0.000 1.194 586 F HN 0.594 nan 8.300 nan 0.000 0.443 587 G N 2.023 110.962 108.800 0.232 0.000 2.378 587 G HA2 0.078 4.038 3.960 -0.000 0.000 0.255 587 G HA3 0.078 4.038 3.960 -0.000 0.000 0.255 587 G C 0.317 175.296 174.900 0.131 0.000 1.270 587 G CA -0.459 44.729 45.100 0.147 0.000 0.876 587 G HN 0.645 nan 8.290 nan 0.000 0.521 588 N N 1.589 120.351 118.700 0.103 0.000 2.346 588 N HA 0.174 4.914 4.740 -0.000 0.000 0.225 588 N C 1.434 176.977 175.510 0.054 0.000 1.144 588 N CA 0.749 53.843 53.050 0.073 0.000 0.837 588 N CB 0.315 38.841 38.487 0.065 0.000 1.069 588 N HN 1.008 nan 8.380 nan 0.000 0.487 589 G N 1.040 109.873 108.800 0.055 0.000 2.806 589 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.236 589 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.236 589 G C -0.687 174.233 174.900 0.034 0.000 1.387 589 G CA -0.547 44.577 45.100 0.040 0.000 0.884 589 G HN 0.332 nan 8.290 nan 0.000 0.560 590 E N 0.532 120.747 120.200 0.026 0.000 2.316 590 E HA 0.473 4.823 4.350 -0.000 0.000 0.275 590 E C 1.148 177.760 176.600 0.020 0.000 1.029 590 E CA 1.236 57.649 56.400 0.021 0.000 0.871 590 E CB 0.820 30.530 29.700 0.016 0.000 1.022 590 E HN 2.129 nan 8.360 nan 0.000 0.418 591 G N 2.553 111.364 108.800 0.019 0.000 2.179 591 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.260 591 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.260 591 G C -0.176 174.738 174.900 0.023 0.000 0.977 591 G CA -0.151 44.960 45.100 0.018 0.000 0.641 591 G HN 0.430 nan 8.290 nan 0.000 0.533 592 E N 0.462 120.680 120.200 0.029 0.000 2.166 592 E HA 0.501 4.851 4.350 -0.000 0.000 0.275 592 E C 0.986 177.613 176.600 0.045 0.000 0.941 592 E CA -0.857 55.564 56.400 0.035 0.000 0.784 592 E CB 1.472 31.194 29.700 0.037 0.000 1.115 592 E HN 0.359 nan 8.360 nan 0.000 0.399 593 L N 4.588 125.840 121.223 0.048 0.000 2.593 593 L HA -0.023 4.317 4.340 -0.000 0.000 0.287 593 L C -1.643 175.277 176.870 0.084 0.000 1.243 593 L CA -0.687 54.191 54.840 0.064 0.000 0.890 593 L CB -0.370 41.726 42.059 0.061 0.000 1.134 593 L HN 0.219 nan 8.230 nan 0.000 0.502 594 P HA 0.139 nan 4.420 nan 0.000 0.279 594 P C -1.165 176.224 177.300 0.149 0.000 1.276 594 P CA -0.635 62.554 63.100 0.149 0.000 0.801 594 P CB 0.671 32.491 31.700 0.201 0.000 1.127 595 D N 0.756 121.257 120.400 0.169 0.000 2.317 595 D HA 0.141 4.780 4.640 -0.000 0.000 0.252 595 D C -0.000 176.373 176.300 0.123 0.000 1.174 595 D CA 0.302 54.386 54.000 0.140 0.000 0.866 595 D CB 0.490 41.376 40.800 0.143 0.000 1.127 595 D HN 0.282 nan 8.370 nan 0.000 0.467 596 E N 1.225 121.438 120.200 0.022 0.000 2.046 596 E HA 0.302 4.652 4.350 -0.000 0.000 0.279 596 E C -0.670 175.841 176.600 -0.148 0.000 0.989 596 E CA -0.590 55.696 56.400 -0.190 0.000 0.798 596 E CB 2.278 31.902 29.700 -0.127 0.000 1.086 596 E HN 0.081 nan 8.360 nan 0.000 0.399 597 V N 3.519 123.321 119.914 -0.187 0.000 2.448 597 V HA 0.193 4.313 4.120 -0.000 0.000 0.295 597 V C -0.489 175.548 176.094 -0.096 0.000 1.025 597 V CA -0.673 61.598 62.300 -0.049 0.000 0.859 597 V CB 1.691 33.579 31.823 0.109 0.000 0.988 597 V HN 0.681 nan 8.190 nan 0.000 0.431 598 E N 5.614 125.851 120.200 0.063 0.000 2.257 598 E HA 0.281 4.630 4.350 -0.000 0.000 0.278 598 E C -1.503 175.320 176.600 0.372 0.000 1.049 598 E CA -0.247 56.236 56.400 0.139 0.000 0.876 598 E CB 0.536 30.360 29.700 0.207 0.000 1.035 598 E HN 0.679 nan 8.360 nan 0.000 0.419 599 Y N 3.031 123.372 120.300 0.069 0.000 2.496 599 Y HA 0.447 4.996 4.550 -0.000 0.000 0.331 599 Y C -0.346 175.578 175.900 0.040 0.000 1.140 599 Y CA -1.407 56.737 58.100 0.073 0.000 1.166 599 Y CB 1.425 39.901 38.460 0.027 0.000 1.249 599 Y HN 0.479 nan 8.280 nan 0.000 0.479 600 L N 1.985 123.307 121.223 0.165 0.000 2.319 600 L HA 0.693 5.033 4.340 -0.000 0.000 0.281 600 L C -0.847 176.074 176.870 0.084 0.000 1.005 600 L CA 0.025 54.924 54.840 0.099 0.000 0.828 600 L CB 0.976 43.103 42.059 0.114 0.000 1.227 600 L HN 0.571 nan 8.230 nan 0.000 0.415 601 S N 2.465 118.150 115.700 -0.025 0.000 2.697 601 S HA 1.041 5.511 4.470 -0.000 0.000 0.289 601 S C -0.351 173.833 174.600 -0.694 0.000 1.149 601 S CA -0.364 57.590 58.200 -0.409 0.000 0.850 601 S CB 1.734 64.767 63.200 -0.278 0.000 1.151 601 S HN 1.008 nan 8.310 nan 0.000 0.491 602 G N -0.481 107.552 108.800 -1.278 0.000 2.495 602 G HA2 0.664 4.624 3.960 -0.000 0.000 0.294 602 G HA3 0.664 4.624 3.960 -0.000 0.000 0.294 602 G C -2.171 172.372 174.900 -0.595 0.000 1.397 602 G CA -0.527 44.105 45.100 -0.780 0.000 0.790 602 G HN 0.907 nan 8.290 nan 0.000 0.486 603 I N -0.809 119.634 120.570 -0.212 0.000 2.787 603 I HA 0.709 4.879 4.170 -0.000 0.000 0.294 603 I C -1.854 174.289 176.117 0.043 0.000 1.365 603 I CA -1.059 60.197 61.300 -0.073 0.000 1.029 603 I CB 2.012 39.968 38.000 -0.073 0.000 1.313 603 I HN 0.510 nan 8.210 nan 0.000 0.431 604 L N 6.116 127.405 121.223 0.109 0.000 2.464 604 L HA 0.750 5.090 4.340 -0.000 0.000 0.266 604 L C -0.680 176.304 176.870 0.190 0.000 0.965 604 L CA -0.418 54.514 54.840 0.153 0.000 0.833 604 L CB 2.216 44.370 42.059 0.158 0.000 1.296 604 L HN 0.612 nan 8.230 nan 0.000 0.405 605 T N 0.862 115.512 114.554 0.160 0.000 2.885 605 T HA 0.781 5.130 4.350 -0.000 0.000 0.322 605 T C -0.385 174.399 174.700 0.141 0.000 1.387 605 T CA 0.501 62.699 62.100 0.164 0.000 1.041 605 T CB 1.796 70.730 68.868 0.109 0.000 1.287 605 T HN 1.263 nan 8.240 nan 0.000 0.491 606 G N 2.450 111.333 108.800 0.138 0.000 2.428 606 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.202 606 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.202 606 G C -1.136 173.839 174.900 0.125 0.000 1.247 606 G CA -0.296 44.873 45.100 0.116 0.000 1.020 606 G HN 0.887 nan 8.290 nan 0.000 0.529 607 E N -0.654 119.610 120.200 0.107 0.000 2.331 607 E HA 0.474 4.824 4.350 -0.000 0.000 0.272 607 E C 0.389 177.084 176.600 0.160 0.000 1.036 607 E CA -0.360 56.104 56.400 0.106 0.000 0.864 607 E CB 1.522 31.258 29.700 0.061 0.000 1.035 607 E HN 0.517 nan 8.360 nan 0.000 0.408 608 Y N 2.312 122.625 120.300 0.022 0.000 2.389 608 Y HA 0.144 4.693 4.550 -0.000 0.000 0.292 608 Y C 0.093 175.998 175.900 0.009 0.000 1.117 608 Y CA 0.245 58.354 58.100 0.015 0.000 1.195 608 Y CB 0.964 39.426 38.460 0.002 0.000 1.076 608 Y HN 0.229 nan 8.280 nan 0.000 0.548 609 V N 1.129 121.010 119.914 -0.055 0.000 2.686 609 V HA 0.461 4.580 4.120 -0.000 0.000 0.306 609 V C -1.388 174.675 176.094 -0.051 0.000 1.065 609 V CA -0.954 61.278 62.300 -0.113 0.000 0.894 609 V CB 1.722 33.505 31.823 -0.066 0.000 1.004 609 V HN -0.186 nan 8.190 nan 0.000 0.424 610 V N 4.379 124.255 119.914 -0.064 0.000 2.733 610 V HA 0.715 4.835 4.120 -0.000 0.000 0.306 610 V C -1.457 174.599 176.094 -0.063 0.000 1.084 610 V CA -0.257 62.016 62.300 -0.046 0.000 0.905 610 V CB 2.324 34.136 31.823 -0.018 0.000 1.010 610 V HN 0.923 nan 8.190 nan 0.000 0.424 611 N N 4.327 122.969 118.700 -0.097 0.000 2.653 611 N HA 0.576 5.316 4.740 -0.000 0.000 0.261 611 N C 0.497 175.903 175.510 -0.173 0.000 1.216 611 N CA 0.280 53.247 53.050 -0.138 0.000 0.784 611 N CB 1.930 40.266 38.487 -0.251 0.000 1.327 611 N HN 0.790 nan 8.380 nan 0.000 0.539 612 A N 2.949 125.743 122.820 -0.043 0.000 1.883 612 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 612 A C 1.919 179.509 177.584 0.010 0.000 1.186 612 A CA 1.410 53.446 52.037 -0.001 0.000 0.624 612 A CB -0.846 18.191 19.000 0.062 0.000 0.822 612 A HN 0.863 nan 8.150 nan 0.000 0.444 613 W N 0.186 121.490 121.300 0.006 0.000 2.364 613 W HA -0.176 4.483 4.660 -0.000 0.000 0.281 613 W C 1.143 177.666 176.519 0.006 0.000 1.219 613 W CA 1.238 58.587 57.345 0.006 0.000 1.220 613 W CB -0.630 28.832 29.460 0.004 0.000 1.127 613 W HN 0.458 nan 8.180 nan 0.000 0.556 614 Q N 0.521 119.796 119.800 -0.876 0.000 2.444 614 Q HA 0.153 4.493 4.340 -0.000 0.000 0.206 614 Q C 1.664 177.468 176.000 -0.327 0.000 0.948 614 Q CA 0.732 56.045 55.803 -0.815 0.000 0.946 614 Q CB -0.171 27.960 28.738 -1.012 0.000 1.027 614 Q HN 0.488 nan 8.270 nan 0.000 0.513 615 G N 1.981 110.664 108.800 -0.194 0.000 2.160 615 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.251 615 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.251 615 G C -0.225 174.610 174.900 -0.109 0.000 1.008 615 G CA 0.035 45.074 45.100 -0.102 0.000 0.724 615 G HN 0.171 nan 8.290 nan 0.000 0.514 616 K N 0.236 120.545 120.400 -0.153 0.000 2.248 616 K HA 0.472 4.792 4.320 -0.000 0.000 0.281 616 K C 0.061 176.620 176.600 -0.068 0.000 1.054 616 K CA -0.285 55.933 56.287 -0.114 0.000 0.903 616 K CB 1.221 33.630 32.500 -0.151 0.000 1.077 616 K HN 0.214 nan 8.250 nan 0.000 0.474 617 K N 3.055 123.434 120.400 -0.034 0.000 2.687 617 K HA 0.072 4.391 4.320 -0.000 0.000 0.249 617 K C -1.529 175.080 176.600 0.015 0.000 0.994 617 K CA -0.336 55.947 56.287 -0.006 0.000 0.913 617 K CB 1.264 33.767 32.500 0.005 0.000 1.202 617 K HN 0.549 nan 8.250 nan 0.000 0.460 618 E N 4.630 124.848 120.200 0.030 0.000 2.073 618 E HA 0.115 4.465 4.350 -0.000 0.000 0.269 618 E C -0.773 175.880 176.600 0.089 0.000 0.917 618 E CA -0.577 55.858 56.400 0.058 0.000 0.757 618 E CB 0.867 30.609 29.700 0.070 0.000 1.111 618 E HN 0.450 nan 8.360 nan 0.000 0.410 619 E N 4.114 124.362 120.200 0.079 0.000 2.354 619 E HA 0.152 4.501 4.350 -0.000 0.000 0.269 619 E C 0.444 177.095 176.600 0.085 0.000 1.036 619 E CA -0.344 56.112 56.400 0.093 0.000 0.876 619 E CB 1.198 30.953 29.700 0.091 0.000 1.009 619 E HN 0.600 nan 8.360 nan 0.000 0.416 620 I N 3.628 124.256 120.570 0.097 0.000 2.741 620 I HA -0.138 4.032 4.170 -0.000 0.000 0.288 620 I C 0.888 176.955 176.117 -0.083 0.000 1.192 620 I CA 0.581 61.886 61.300 0.008 0.000 1.426 620 I CB -0.043 37.997 38.000 0.066 0.000 1.367 620 I HN 0.522 nan 8.210 nan 0.000 0.563 621 D N 5.570 125.786 120.400 -0.306 0.000 2.758 621 D HA 0.085 4.725 4.640 -0.000 0.000 0.262 621 D C 0.568 176.216 176.300 -1.087 0.000 1.113 621 D CA -0.572 53.099 54.000 -0.548 0.000 1.114 621 D CB 0.275 41.016 40.800 -0.097 0.000 1.363 621 D HN 0.344 nan 8.370 nan 0.000 0.617 622 F N -0.384 118.997 119.950 -0.948 0.000 2.234 622 F HA 0.047 4.574 4.527 -0.000 0.000 0.299 622 F C 1.638 177.014 175.800 -0.707 0.000 1.087 622 F CA 1.174 58.674 58.000 -0.833 0.000 1.340 622 F CB -0.125 38.479 39.000 -0.660 0.000 1.031 622 F HN 0.187 nan 8.300 nan 0.000 0.500 623 F N -0.172 119.671 119.950 -0.178 0.000 2.416 623 F HA 0.002 4.528 4.527 -0.000 0.000 0.296 623 F C 2.147 177.768 175.800 -0.299 0.000 1.099 623 F CA 0.645 58.534 58.000 -0.185 0.000 1.427 623 F CB -0.510 38.464 39.000 -0.043 0.000 1.079 623 F HN -0.110 nan 8.300 nan 0.000 0.536 624 I N 0.201 120.652 120.570 -0.199 0.000 2.163 624 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 624 I C 2.666 178.542 176.117 -0.401 0.000 1.085 624 I CA 1.363 62.469 61.300 -0.323 0.000 1.347 624 I CB -0.652 37.127 38.000 -0.368 0.000 1.044 624 I HN 0.121 nan 8.210 nan 0.000 0.408 625 A N 0.311 122.840 122.820 -0.485 0.000 1.902 625 A HA -0.247 4.072 4.320 -0.000 0.000 0.217 625 A C 2.384 179.705 177.584 -0.438 0.000 1.181 625 A CA 1.734 53.527 52.037 -0.407 0.000 0.623 625 A CB -0.501 18.270 19.000 -0.382 0.000 0.818 625 A HN 0.330 nan 8.150 nan 0.000 0.443 626 K N -0.633 119.424 120.400 -0.571 0.000 2.097 626 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 626 K C 2.048 178.482 176.600 -0.277 0.000 1.049 626 K CA 1.228 57.247 56.287 -0.447 0.000 0.933 626 K CB -0.494 31.715 32.500 -0.485 0.000 0.717 626 K HN 0.418 nan 8.250 nan 0.000 0.442 627 G N 0.612 109.267 108.800 -0.243 0.000 2.440 627 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.218 627 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.218 627 G C 1.473 176.252 174.900 -0.202 0.000 1.154 627 G CA 1.053 46.043 45.100 -0.184 0.000 0.767 627 G HN 0.196 nan 8.290 nan 0.000 0.552 628 V N 0.478 120.231 119.914 -0.268 0.000 2.287 628 V HA -0.193 3.926 4.120 -0.000 0.000 0.248 628 V C 3.024 178.926 176.094 -0.321 0.000 1.053 628 V CA 1.725 63.857 62.300 -0.280 0.000 1.027 628 V CB -0.500 31.142 31.823 -0.301 0.000 0.646 628 V HN 0.269 nan 8.190 nan 0.000 0.447 629 V N -0.256 119.442 119.914 -0.360 0.000 2.379 629 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 629 V C 2.280 178.349 176.094 -0.041 0.000 1.044 629 V CA 1.840 63.980 62.300 -0.267 0.000 1.036 629 V CB -0.703 31.013 31.823 -0.179 0.000 0.664 629 V HN 0.506 nan 8.190 nan 0.000 0.453 630 D N 0.127 120.516 120.400 -0.018 0.000 2.158 630 D HA -0.221 4.418 4.640 -0.000 0.000 0.197 630 D C 2.299 178.538 176.300 -0.101 0.000 0.995 630 D CA 1.617 55.605 54.000 -0.021 0.000 0.846 630 D CB -0.199 40.577 40.800 -0.039 0.000 0.941 630 D HN 0.420 nan 8.370 nan 0.000 0.456 631 R N 0.509 120.938 120.500 -0.119 0.000 2.090 631 R HA -0.058 4.282 4.340 -0.000 0.000 0.228 631 R C 2.095 178.319 176.300 -0.126 0.000 1.110 631 R CA 0.667 56.700 56.100 -0.112 0.000 0.973 631 R CB -0.152 30.089 30.300 -0.098 0.000 0.869 631 R HN -0.023 nan 8.270 nan 0.000 0.440 632 V N 1.567 121.393 119.914 -0.146 0.000 2.287 632 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 632 V C 2.580 178.555 176.094 -0.199 0.000 1.053 632 V CA 2.082 64.303 62.300 -0.131 0.000 1.027 632 V CB -0.853 30.912 31.823 -0.096 0.000 0.646 632 V HN 0.579 nan 8.190 nan 0.000 0.447 633 A N -0.676 121.935 122.820 -0.348 0.000 1.877 633 A HA -0.280 4.040 4.320 -0.000 0.000 0.216 633 A C 2.267 179.646 177.584 -0.341 0.000 1.186 633 A CA 2.021 53.680 52.037 -0.631 0.000 0.620 633 A CB -0.604 17.849 19.000 -0.913 0.000 0.822 633 A HN 0.608 nan 8.150 nan 0.000 0.443 634 E N -0.505 119.564 120.200 -0.219 0.000 2.049 634 E HA -0.305 4.045 4.350 -0.000 0.000 0.198 634 E C 2.050 178.585 176.600 -0.107 0.000 1.007 634 E CA 1.880 58.198 56.400 -0.136 0.000 0.809 634 E CB -0.091 29.552 29.700 -0.095 0.000 0.749 634 E HN 0.424 nan 8.360 nan 0.000 0.450 635 K N 0.306 120.648 120.400 -0.097 0.000 2.147 635 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 635 K C 1.840 178.411 176.600 -0.049 0.000 1.049 635 K CA 0.976 57.228 56.287 -0.058 0.000 0.936 635 K CB -0.052 32.419 32.500 -0.049 0.000 0.722 635 K HN 0.179 nan 8.250 nan 0.000 0.446 636 L N -0.309 120.866 121.223 -0.081 0.000 2.529 636 L HA 0.089 4.429 4.340 -0.000 0.000 0.223 636 L C 0.240 177.062 176.870 -0.081 0.000 1.113 636 L CA 0.020 54.821 54.840 -0.064 0.000 0.861 636 L CB -0.154 41.864 42.059 -0.067 0.000 1.012 636 L HN 0.334 nan 8.230 nan 0.000 0.461 637 N N 0.783 119.419 118.700 -0.107 0.000 2.816 637 N HA -0.154 4.586 4.740 -0.000 0.000 0.247 637 N C -0.918 174.524 175.510 -0.113 0.000 1.100 637 N CA 0.549 53.545 53.050 -0.089 0.000 0.687 637 N CB -1.266 37.195 38.487 -0.043 0.000 1.003 637 N HN 0.190 nan 8.380 nan 0.000 0.554 638 L N 0.004 121.107 121.223 -0.200 0.000 2.341 638 L HA 0.507 4.847 4.340 -0.000 0.000 0.267 638 L C 0.252 176.953 176.870 -0.281 0.000 1.009 638 L CA -0.864 53.844 54.840 -0.220 0.000 0.819 638 L CB 1.802 43.680 42.059 -0.301 0.000 1.323 638 L HN -0.051 nan 8.230 nan 0.000 0.425 639 E N 2.731 122.862 120.200 -0.116 0.000 2.092 639 E HA 0.416 4.765 4.350 -0.000 0.000 0.271 639 E C -1.264 175.420 176.600 0.141 0.000 0.919 639 E CA -0.113 56.262 56.400 -0.042 0.000 0.760 639 E CB 1.686 31.381 29.700 -0.007 0.000 1.106 639 E HN 0.333 nan 8.360 nan 0.000 0.408 640 F N 0.976 120.872 119.950 -0.090 0.000 2.450 640 F HA 0.332 4.859 4.527 -0.000 0.000 0.332 640 F C 0.756 176.420 175.800 -0.227 0.000 1.093 640 F CA -0.824 57.046 58.000 -0.216 0.000 1.003 640 F CB 1.792 40.591 39.000 -0.335 0.000 1.151 640 F HN 0.245 nan 8.300 nan 0.000 0.474 641 S N 1.387 117.008 115.700 -0.132 0.000 2.677 641 S HA 0.676 5.145 4.470 -0.000 0.000 0.304 641 S C -1.716 172.696 174.600 -0.312 0.000 1.108 641 S CA -0.875 57.265 58.200 -0.101 0.000 0.944 641 S CB 2.146 65.349 63.200 0.005 0.000 1.127 641 S HN 0.478 nan 8.310 nan 0.000 0.511 642 Y N 0.878 121.215 120.300 0.061 0.000 2.287 642 Y HA 0.397 4.947 4.550 -0.000 0.000 0.325 642 Y C -0.319 175.625 175.900 0.073 0.000 1.139 642 Y CA -0.766 57.382 58.100 0.079 0.000 1.167 642 Y CB 1.534 40.067 38.460 0.121 0.000 1.158 642 Y HN 0.701 nan 8.280 nan 0.000 0.434 643 K N 1.408 121.918 120.400 0.183 0.000 2.375 643 K HA 0.977 5.297 4.320 -0.000 0.000 0.249 643 K C -0.693 175.971 176.600 0.107 0.000 0.942 643 K CA -1.035 55.324 56.287 0.119 0.000 0.806 643 K CB 2.536 35.078 32.500 0.070 0.000 1.227 643 K HN 0.540 nan 8.250 nan 0.000 0.430 644 A N 1.354 124.214 122.820 0.067 0.000 2.448 644 A HA 0.572 4.892 4.320 -0.000 0.000 0.239 644 A C 0.324 177.932 177.584 0.040 0.000 1.080 644 A CA 0.608 52.666 52.037 0.035 0.000 0.779 644 A CB 0.000 18.997 19.000 -0.006 0.000 1.026 644 A HN 0.966 nan 8.150 nan 0.000 0.499 645 G N 0.121 108.941 108.800 0.033 0.000 2.623 645 G HA2 0.586 4.546 3.960 -0.000 0.000 0.290 645 G HA3 0.586 4.546 3.960 -0.000 0.000 0.290 645 G C -1.720 173.198 174.900 0.030 0.000 1.437 645 G CA -0.785 44.340 45.100 0.041 0.000 0.798 645 G HN 0.596 nan 8.290 nan 0.000 0.488 646 K N 0.496 120.910 120.400 0.023 0.000 2.541 646 K HA 0.563 4.883 4.320 -0.000 0.000 0.250 646 K C -1.449 175.150 176.600 -0.002 0.000 0.950 646 K CA -0.479 55.818 56.287 0.018 0.000 0.805 646 K CB 2.668 35.179 32.500 0.017 0.000 1.166 646 K HN 0.429 nan 8.250 nan 0.000 0.430 647 I N 2.088 122.651 120.570 -0.012 0.000 2.569 647 I HA 0.007 4.177 4.170 -0.000 0.000 0.290 647 I C 1.055 177.168 176.117 -0.006 0.000 1.088 647 I CA -0.491 60.775 61.300 -0.057 0.000 1.047 647 I CB 2.191 40.068 38.000 -0.205 0.000 1.237 647 I HN 0.818 nan 8.210 nan 0.000 0.421 648 E N 4.989 125.167 120.200 -0.036 0.000 3.606 648 E HA -0.335 4.014 4.350 -0.000 0.000 0.492 648 E C 1.335 177.918 176.600 -0.029 0.000 1.681 648 E CA 2.465 58.809 56.400 -0.094 0.000 1.181 648 E CB -1.216 28.329 29.700 -0.257 0.000 1.121 648 E HN 0.826 nan 8.360 nan 0.000 0.380 649 G N 0.554 109.395 108.800 0.067 0.000 3.124 649 G HA2 0.334 4.294 3.960 -0.000 0.000 0.212 649 G HA3 0.334 4.294 3.960 -0.000 0.000 0.212 649 G C 0.233 175.320 174.900 0.311 0.000 1.181 649 G CA 0.284 45.525 45.100 0.235 0.000 0.803 649 G HN 0.191 nan 8.290 nan 0.000 0.529 650 L N -0.301 121.067 121.223 0.241 0.000 2.330 650 L HA 0.387 4.727 4.340 -0.000 0.000 0.271 650 L C 0.014 176.971 176.870 0.145 0.000 1.013 650 L CA -1.424 53.528 54.840 0.187 0.000 0.816 650 L CB 1.633 43.770 42.059 0.130 0.000 1.287 650 L HN 0.049 nan 8.230 nan 0.000 0.435 651 H N 4.423 123.478 119.070 -0.025 0.000 2.975 651 H HA 0.083 4.639 4.556 -0.000 0.000 0.303 651 H C -1.924 173.359 175.328 -0.075 0.000 1.023 651 H CA -1.725 54.241 56.048 -0.136 0.000 1.473 651 H CB 1.436 31.120 29.762 -0.129 0.000 1.498 651 H HN 0.286 nan 8.280 nan 0.000 0.549 652 P HA 0.022 nan 4.420 nan 0.000 0.231 652 P C 0.927 178.280 177.300 0.089 0.000 1.168 652 P CA 0.898 64.058 63.100 0.101 0.000 0.779 652 P CB 0.365 32.095 31.700 0.050 0.000 0.844 653 G N -0.256 108.645 108.800 0.168 0.000 3.502 653 G HA2 0.107 4.067 3.960 -0.000 0.000 0.267 653 G HA3 0.107 4.067 3.960 -0.000 0.000 0.267 653 G C 0.859 175.614 174.900 -0.242 0.000 1.090 653 G CA -0.231 44.858 45.100 -0.018 0.000 0.795 653 G HN 0.165 nan 8.290 nan 0.000 0.535 654 R N 0.126 120.464 120.500 -0.269 0.000 2.569 654 R HA 0.177 4.517 4.340 -0.000 0.000 0.429 654 R C -0.850 175.310 176.300 -0.234 0.000 0.994 654 R CA -0.159 55.665 56.100 -0.460 0.000 1.089 654 R CB 0.857 30.845 30.300 -0.520 0.000 1.420 654 R HN 0.112 nan 8.270 nan 0.000 0.615 655 T N 0.656 115.148 114.554 -0.103 0.000 2.863 655 T HA 0.752 5.102 4.350 -0.000 0.000 0.285 655 T C -0.889 173.882 174.700 0.118 0.000 1.009 655 T CA -0.562 61.601 62.100 0.104 0.000 0.989 655 T CB 2.106 71.030 68.868 0.093 0.000 1.004 655 T HN 0.259 nan 8.240 nan 0.000 0.455 656 A N 2.868 125.862 122.820 0.291 0.000 2.475 656 A HA 0.795 5.115 4.320 -0.000 0.000 0.301 656 A C -1.021 176.732 177.584 0.282 0.000 1.059 656 A CA -0.757 51.445 52.037 0.275 0.000 0.710 656 A CB 0.920 20.155 19.000 0.392 0.000 1.288 656 A HN 0.648 nan 8.150 nan 0.000 0.408 657 I N 1.474 122.160 120.570 0.193 0.000 2.472 657 I HA 0.424 4.594 4.170 -0.000 0.000 0.290 657 I C -0.034 176.105 176.117 0.037 0.000 1.016 657 I CA -0.731 60.652 61.300 0.139 0.000 1.348 657 I CB 1.032 39.083 38.000 0.085 0.000 1.417 657 I HN 0.262 nan 8.210 nan 0.000 0.521 658 V N 5.062 124.926 119.914 -0.084 0.000 2.448 658 V HA 0.516 4.635 4.120 -0.000 0.000 0.295 658 V C -0.009 175.865 176.094 -0.367 0.000 1.025 658 V CA -0.437 61.658 62.300 -0.341 0.000 0.859 658 V CB 1.704 33.242 31.823 -0.475 0.000 0.988 658 V HN 0.892 nan 8.190 nan 0.000 0.431 659 S N 5.369 120.841 115.700 -0.381 0.000 2.536 659 S HA 0.855 5.325 4.470 -0.000 0.000 0.298 659 S C -0.910 173.537 174.600 -0.255 0.000 1.083 659 S CA -0.671 57.374 58.200 -0.258 0.000 0.995 659 S CB 2.222 65.342 63.200 -0.133 0.000 1.058 659 S HN 0.620 nan 8.310 nan 0.000 0.488 660 L N 1.929 123.048 121.223 -0.173 0.000 2.441 660 L HA 0.498 4.837 4.340 -0.000 0.000 0.270 660 L C -0.207 176.646 176.870 -0.028 0.000 0.973 660 L CA 0.159 54.971 54.840 -0.048 0.000 0.842 660 L CB 0.396 42.432 42.059 -0.038 0.000 1.239 660 L HN 0.873 nan 8.230 nan 0.000 0.406 661 E N 3.789 123.986 120.200 -0.004 0.000 2.416 661 E HA -0.246 4.104 4.350 -0.000 0.000 0.249 661 E C 0.962 177.551 176.600 -0.019 0.000 1.124 661 E CA 0.709 57.104 56.400 -0.008 0.000 0.732 661 E CB -1.748 27.947 29.700 -0.007 0.000 1.286 661 E HN 1.381 nan 8.360 nan 0.000 0.394 662 G N -0.034 108.751 108.800 -0.024 0.000 2.196 662 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.268 662 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.268 662 G C 0.195 175.075 174.900 -0.033 0.000 0.975 662 G CA 1.101 46.186 45.100 -0.025 0.000 0.648 662 G HN 0.360 nan 8.290 nan 0.000 0.538 663 Q N 0.841 120.614 119.800 -0.046 0.000 2.241 663 Q HA 0.556 4.896 4.340 -0.000 0.000 0.254 663 Q C -0.639 175.312 176.000 -0.082 0.000 0.917 663 Q CA -0.556 55.214 55.803 -0.054 0.000 0.919 663 Q CB 0.888 29.594 28.738 -0.053 0.000 1.237 663 Q HN 0.263 nan 8.270 nan 0.000 0.434 664 D N 2.679 123.038 120.400 -0.069 0.000 2.304 664 D HA 0.228 4.868 4.640 -0.000 0.000 0.250 664 D C 0.338 176.576 176.300 -0.103 0.000 1.107 664 D CA 0.190 54.141 54.000 -0.083 0.000 0.885 664 D CB 0.691 41.471 40.800 -0.033 0.000 1.192 664 D HN 0.637 nan 8.370 nan 0.000 0.436 665 I N -1.222 119.245 120.570 -0.171 0.000 4.442 665 I HA 0.578 4.748 4.170 -0.000 0.000 0.331 665 I C 0.674 176.633 176.117 -0.264 0.000 1.364 665 I CA -0.382 60.794 61.300 -0.206 0.000 1.207 665 I CB 0.571 38.417 38.000 -0.256 0.000 1.298 665 I HN 0.406 nan 8.210 nan 0.000 0.463 666 G N 1.672 110.345 108.800 -0.211 0.000 2.344 666 G HA2 0.415 4.375 3.960 -0.000 0.000 0.282 666 G HA3 0.415 4.375 3.960 -0.000 0.000 0.282 666 G C -1.662 173.189 174.900 -0.083 0.000 1.281 666 G CA -0.214 44.711 45.100 -0.293 0.000 0.877 666 G HN 0.365 nan 8.290 nan 0.000 0.494 667 F N -1.881 118.051 119.950 -0.031 0.000 2.741 667 F HA 0.890 5.416 4.527 -0.000 0.000 0.313 667 F C -1.127 174.735 175.800 0.103 0.000 1.153 667 F CA -1.554 56.472 58.000 0.044 0.000 0.931 667 F CB 1.176 40.217 39.000 0.067 0.000 1.335 667 F HN 0.547 nan 8.300 nan 0.000 0.460 668 I N 0.348 121.171 120.570 0.422 0.000 2.769 668 I HA 0.869 5.038 4.170 -0.000 0.000 0.298 668 I C -0.235 176.158 176.117 0.459 0.000 1.128 668 I CA -0.784 60.719 61.300 0.339 0.000 1.031 668 I CB 2.432 40.480 38.000 0.080 0.000 1.235 668 I HN 1.092 nan 8.210 nan 0.000 0.423 669 G N 2.679 111.725 108.800 0.409 0.000 2.519 669 G HA2 0.291 4.251 3.960 -0.000 0.000 0.292 669 G HA3 0.291 4.251 3.960 -0.000 0.000 0.292 669 G C -1.858 173.231 174.900 0.314 0.000 1.507 669 G CA -0.686 44.681 45.100 0.445 0.000 0.806 669 G HN 0.607 nan 8.290 nan 0.000 0.523 670 E N 0.056 120.423 120.200 0.279 0.000 2.413 670 E HA 0.240 4.590 4.350 -0.000 0.000 0.263 670 E C 0.333 176.925 176.600 -0.013 0.000 1.015 670 E CA -0.321 56.008 56.400 -0.118 0.000 0.916 670 E CB 0.495 30.104 29.700 -0.152 0.000 0.947 670 E HN 0.362 nan 8.360 nan 0.000 0.440 671 L N 3.644 124.816 121.223 -0.085 0.000 2.461 671 L HA 0.030 4.370 4.340 -0.000 0.000 0.272 671 L C 1.070 177.986 176.870 0.077 0.000 1.197 671 L CA -0.256 54.607 54.840 0.039 0.000 0.836 671 L CB 0.270 42.342 42.059 0.022 0.000 1.105 671 L HN 0.608 nan 8.230 nan 0.000 0.477 672 H N 4.206 123.307 119.070 0.051 0.000 3.001 672 H HA -0.013 4.543 4.556 -0.000 0.000 0.334 672 H C -1.815 173.498 175.328 -0.026 0.000 1.034 672 H CA -1.282 54.763 56.048 -0.005 0.000 1.420 672 H CB 1.319 31.074 29.762 -0.012 0.000 1.405 672 H HN 0.320 nan 8.280 nan 0.000 0.593 673 P HA -0.136 nan 4.420 nan 0.000 0.219 673 P C 1.265 178.682 177.300 0.195 0.000 1.146 673 P CA 1.440 64.576 63.100 0.060 0.000 0.808 673 P CB 0.265 31.913 31.700 -0.086 0.000 0.779 674 Q N -0.840 119.205 119.800 0.409 0.000 2.016 674 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 674 Q C 2.087 178.123 176.000 0.061 0.000 0.978 674 Q CA 1.416 57.282 55.803 0.104 0.000 0.833 674 Q CB -0.760 27.893 28.738 -0.142 0.000 0.895 674 Q HN 0.104 nan 8.270 nan 0.000 0.427 675 V N 1.086 121.049 119.914 0.081 0.000 2.343 675 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 675 V C 2.303 178.438 176.094 0.069 0.000 1.051 675 V CA 1.673 64.015 62.300 0.070 0.000 1.036 675 V CB -1.186 30.702 31.823 0.108 0.000 0.654 675 V HN 0.409 nan 8.190 nan 0.000 0.451 676 A N 0.410 123.275 122.820 0.075 0.000 1.884 676 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 676 A C 2.414 180.023 177.584 0.043 0.000 1.197 676 A CA 2.791 54.856 52.037 0.047 0.000 0.637 676 A CB -0.953 18.067 19.000 0.033 0.000 0.827 676 A HN 0.625 nan 8.150 nan 0.000 0.450 677 A N -0.777 122.070 122.820 0.046 0.000 1.968 677 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 677 A C 1.686 179.288 177.584 0.029 0.000 1.169 677 A CA 1.672 53.730 52.037 0.036 0.000 0.638 677 A CB -0.542 18.480 19.000 0.036 0.000 0.812 677 A HN 0.443 nan 8.150 nan 0.000 0.446 678 D N 0.281 120.699 120.400 0.029 0.000 2.265 678 D HA -0.093 4.546 4.640 -0.000 0.000 0.208 678 D C 1.032 177.349 176.300 0.029 0.000 0.977 678 D CA 0.954 54.969 54.000 0.025 0.000 0.871 678 D CB -0.161 40.653 40.800 0.024 0.000 0.925 678 D HN 0.479 nan 8.370 nan 0.000 0.485 679 N N 0.178 118.898 118.700 0.034 0.000 2.187 679 N HA -0.033 4.707 4.740 -0.000 0.000 0.212 679 N C -0.443 175.088 175.510 0.035 0.000 1.152 679 N CA 0.040 53.112 53.050 0.037 0.000 0.872 679 N CB 1.216 39.729 38.487 0.043 0.000 1.025 679 N HN -0.075 nan 8.380 nan 0.000 0.514 680 D N 0.844 121.262 120.400 0.030 0.000 2.837 680 D HA -0.153 4.486 4.640 -0.000 0.000 0.230 680 D C -0.800 175.518 176.300 0.030 0.000 1.152 680 D CA 0.622 54.638 54.000 0.027 0.000 0.736 680 D CB -1.169 39.644 40.800 0.021 0.000 1.084 680 D HN 0.308 nan 8.370 nan 0.000 0.429 681 L N -0.087 121.155 121.223 0.032 0.000 2.334 681 L HA 0.436 4.775 4.340 -0.000 0.000 0.275 681 L C 1.405 178.293 176.870 0.030 0.000 1.036 681 L CA -0.827 54.032 54.840 0.032 0.000 0.807 681 L CB 1.492 43.569 42.059 0.030 0.000 1.231 681 L HN -0.111 nan 8.230 nan 0.000 0.438 682 K N 1.290 121.710 120.400 0.034 0.000 2.863 682 K HA 0.348 4.668 4.320 -0.000 0.000 0.304 682 K C -0.102 176.512 176.600 0.022 0.000 1.015 682 K CA -0.852 55.458 56.287 0.038 0.000 1.093 682 K CB 0.322 32.853 32.500 0.053 0.000 1.345 682 K HN 0.361 nan 8.250 nan 0.000 0.500 683 R N 1.610 122.133 120.500 0.039 0.000 2.480 683 R HA 0.065 4.405 4.340 -0.000 0.000 0.303 683 R C -0.474 175.796 176.300 -0.049 0.000 0.985 683 R CA 0.581 56.677 56.100 -0.006 0.000 1.051 683 R CB -0.186 30.193 30.300 0.132 0.000 0.935 683 R HN 0.517 nan 8.270 nan 0.000 0.410 684 T N 3.073 117.425 114.554 -0.336 0.000 2.909 684 T HA 0.559 4.909 4.350 -0.000 0.000 0.299 684 T C -1.089 173.198 174.700 -0.689 0.000 1.073 684 T CA -0.572 61.378 62.100 -0.251 0.000 0.999 684 T CB 1.187 69.998 68.868 -0.094 0.000 1.098 684 T HN 0.360 nan 8.240 nan 0.000 0.477 685 Y N 0.546 120.872 120.300 0.043 0.000 2.477 685 Y HA 0.679 5.229 4.550 -0.000 0.000 0.347 685 Y C -0.029 175.883 175.900 0.020 0.000 0.981 685 Y CA -1.142 56.982 58.100 0.040 0.000 1.033 685 Y CB 1.872 40.334 38.460 0.003 0.000 1.245 685 Y HN 0.566 nan 8.280 nan 0.000 0.455 686 V N 0.339 120.332 119.914 0.130 0.000 3.102 686 V HA 0.881 5.001 4.120 -0.000 0.000 0.312 686 V C -1.266 174.891 176.094 0.104 0.000 1.135 686 V CA -1.355 60.950 62.300 0.009 0.000 1.022 686 V CB 2.158 33.921 31.823 -0.100 0.000 1.056 686 V HN 0.704 nan 8.190 nan 0.000 0.436 687 F N -0.511 119.408 119.950 -0.053 0.000 2.613 687 F HA 0.946 5.472 4.527 -0.000 0.000 0.310 687 F C -0.732 174.876 175.800 -0.321 0.000 1.085 687 F CA -0.765 57.137 58.000 -0.163 0.000 0.945 687 F CB 2.016 40.940 39.000 -0.126 0.000 1.298 687 F HN 0.830 nan 8.300 nan 0.000 0.455 688 E N 2.666 122.563 120.200 -0.504 0.000 2.304 688 E HA 0.742 5.092 4.350 -0.000 0.000 0.277 688 E C -2.226 173.976 176.600 -0.664 0.000 0.898 688 E CA -0.640 55.372 56.400 -0.647 0.000 0.764 688 E CB 2.303 31.475 29.700 -0.879 0.000 1.216 688 E HN 0.848 nan 8.360 nan 0.000 0.419 689 L N 3.000 123.929 121.223 -0.490 0.000 2.472 689 L HA 0.429 4.769 4.340 -0.000 0.000 0.260 689 L C -0.611 175.993 176.870 -0.444 0.000 0.963 689 L CA -1.104 53.498 54.840 -0.396 0.000 0.829 689 L CB 2.046 44.028 42.059 -0.130 0.000 1.348 689 L HN 0.472 nan 8.230 nan 0.000 0.408 690 N N 1.295 119.772 118.700 -0.372 0.000 2.402 690 N HA 0.006 4.746 4.740 -0.000 0.000 0.259 690 N C 0.441 176.001 175.510 0.083 0.000 1.167 690 N CA 0.343 53.335 53.050 -0.097 0.000 0.949 690 N CB 0.364 38.821 38.487 -0.051 0.000 1.212 690 N HN 0.623 nan 8.380 nan 0.000 0.493 691 Y N 2.957 123.298 120.300 0.068 0.000 2.352 691 Y HA -0.167 4.383 4.550 -0.000 0.000 0.292 691 Y C 1.351 177.292 175.900 0.069 0.000 1.136 691 Y CA 1.051 59.196 58.100 0.075 0.000 1.227 691 Y CB 0.465 38.987 38.460 0.103 0.000 0.991 691 Y HN 0.485 nan 8.280 nan 0.000 0.545 692 D N -0.008 120.442 120.400 0.085 0.000 2.097 692 D HA -0.181 4.459 4.640 -0.000 0.000 0.195 692 D C 2.252 178.521 176.300 -0.051 0.000 0.989 692 D CA 1.348 55.349 54.000 0.001 0.000 0.827 692 D CB -0.472 40.370 40.800 0.070 0.000 0.966 692 D HN 0.458 nan 8.370 nan 0.000 0.456 693 A N 0.886 123.692 122.820 -0.023 0.000 1.841 693 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 693 A C 2.312 179.858 177.584 -0.063 0.000 1.199 693 A CA 2.039 54.050 52.037 -0.042 0.000 0.621 693 A CB -0.823 18.150 19.000 -0.045 0.000 0.835 693 A HN 0.174 nan 8.150 nan 0.000 0.445 694 M N -1.488 118.073 119.600 -0.066 0.000 2.124 694 M HA -0.258 4.222 4.480 -0.000 0.000 0.253 694 M C 1.930 178.139 176.300 -0.153 0.000 1.077 694 M CA 1.849 57.112 55.300 -0.062 0.000 1.085 694 M CB -0.466 32.110 32.600 -0.039 0.000 1.320 694 M HN 0.297 nan 8.290 nan 0.000 0.404 695 M N -0.683 118.752 119.600 -0.275 0.000 2.618 695 M HA -0.048 4.432 4.480 -0.000 0.000 0.240 695 M C 1.633 177.853 176.300 -0.133 0.000 1.123 695 M CA 1.244 56.385 55.300 -0.265 0.000 1.060 695 M CB -0.718 31.661 32.600 -0.367 0.000 1.535 695 M HN 0.342 nan 8.290 nan 0.000 0.507 696 Q N -0.425 119.317 119.800 -0.096 0.000 2.204 696 Q HA 0.063 4.403 4.340 -0.000 0.000 0.198 696 Q C 0.387 176.358 176.000 -0.048 0.000 0.946 696 Q CA 0.219 55.986 55.803 -0.060 0.000 0.859 696 Q CB 0.430 29.140 28.738 -0.046 0.000 0.946 696 Q HN 0.214 nan 8.270 nan 0.000 0.474 697 V N 2.522 122.410 119.914 -0.043 0.000 2.536 697 V HA -0.071 4.048 4.120 -0.000 0.000 0.287 697 V C 0.185 176.255 176.094 -0.041 0.000 0.979 697 V CA 0.084 62.364 62.300 -0.033 0.000 1.161 697 V CB -0.760 31.052 31.823 -0.019 0.000 0.915 697 V HN 0.195 nan 8.190 nan 0.000 0.467 698 A N 5.232 128.028 122.820 -0.041 0.000 2.354 698 A HA 0.520 4.840 4.320 -0.000 0.000 0.281 698 A C 0.891 178.447 177.584 -0.046 0.000 1.174 698 A CA 0.043 52.052 52.037 -0.046 0.000 0.828 698 A CB 0.892 19.861 19.000 -0.052 0.000 1.099 698 A HN 1.408 nan 8.150 nan 0.000 0.516 699 V N 1.486 121.375 119.914 -0.043 0.000 3.644 699 V HA 0.507 4.627 4.120 -0.000 0.000 0.267 699 V C 1.206 177.279 176.094 -0.036 0.000 1.277 699 V CA 0.694 62.973 62.300 -0.034 0.000 1.096 699 V CB -1.650 30.157 31.823 -0.026 0.000 0.828 699 V HN 2.185 nan 8.190 nan 0.000 0.446 700 G N 0.516 109.277 108.800 -0.066 0.000 2.578 700 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.275 700 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.275 700 G C -0.291 174.601 174.900 -0.013 0.000 1.271 700 G CA 0.440 45.465 45.100 -0.125 0.000 0.941 700 G HN 0.637 nan 8.290 nan 0.000 0.564 701 Y N -0.386 119.905 120.300 -0.015 0.000 2.301 701 Y HA 0.480 5.030 4.550 -0.000 0.000 0.328 701 Y C 1.637 177.536 175.900 -0.002 0.000 1.242 701 Y CA -0.978 57.115 58.100 -0.012 0.000 1.323 701 Y CB 0.612 39.067 38.460 -0.009 0.000 1.266 701 Y HN 0.446 nan 8.280 nan 0.000 0.527 702 I N 2.706 123.383 120.570 0.179 0.000 2.710 702 I HA -0.161 4.009 4.170 -0.000 0.000 0.286 702 I C 0.568 176.756 176.117 0.119 0.000 1.181 702 I CA 0.496 61.859 61.300 0.105 0.000 1.430 702 I CB 0.195 38.237 38.000 0.070 0.000 1.367 702 I HN 0.611 nan 8.210 nan 0.000 0.577 703 N N 7.313 126.068 118.700 0.090 0.000 2.469 703 N HA 0.009 4.749 4.740 -0.000 0.000 0.239 703 N C -1.006 174.566 175.510 0.103 0.000 1.053 703 N CA -0.413 52.690 53.050 0.088 0.000 0.937 703 N CB 0.505 39.019 38.487 0.044 0.000 1.163 703 N HN 0.476 nan 8.380 nan 0.000 0.509 704 Y N 3.516 123.822 120.300 0.009 0.000 2.377 704 Y HA 0.136 4.685 4.550 -0.000 0.000 0.330 704 Y C -0.232 175.665 175.900 -0.004 0.000 1.108 704 Y CA -0.098 58.001 58.100 -0.003 0.000 1.308 704 Y CB 0.638 39.092 38.460 -0.010 0.000 1.216 704 Y HN 0.406 nan 8.280 nan 0.000 0.518 705 E N 5.932 125.742 120.200 -0.650 0.000 2.204 705 E HA 0.169 4.518 4.350 -0.000 0.000 0.276 705 E C -0.676 175.329 176.600 -0.992 0.000 0.974 705 E CA -1.008 55.017 56.400 -0.625 0.000 0.815 705 E CB 1.294 30.810 29.700 -0.307 0.000 1.119 705 E HN 0.647 nan 8.360 nan 0.000 0.393 706 Q N 1.387 120.846 119.800 -0.568 0.000 2.428 706 Q HA 0.072 4.412 4.340 -0.000 0.000 0.276 706 Q C 0.296 176.160 176.000 -0.228 0.000 1.059 706 Q CA 0.183 55.796 55.803 -0.318 0.000 0.923 706 Q CB 0.552 29.220 28.738 -0.117 0.000 1.283 706 Q HN 0.399 nan 8.270 nan 0.000 0.447 707 I N 3.778 124.288 120.570 -0.100 0.000 2.371 707 I HA 0.176 4.346 4.170 -0.000 0.000 0.290 707 I C -1.774 174.287 176.117 -0.093 0.000 1.028 707 I CA -2.624 58.635 61.300 -0.069 0.000 1.345 707 I CB -0.008 37.992 38.000 -0.000 0.000 1.407 707 I HN 0.361 nan 8.210 nan 0.000 0.501 708 P HA 0.243 nan 4.420 nan 0.000 0.280 708 P C 0.086 177.287 177.300 -0.165 0.000 1.244 708 P CA -0.469 62.547 63.100 -0.139 0.000 0.784 708 P CB 1.588 33.234 31.700 -0.089 0.000 0.913 709 K N 1.235 121.431 120.400 -0.339 0.000 2.262 709 K HA 0.123 4.443 4.320 -0.000 0.000 0.200 709 K C 0.430 176.893 176.600 -0.227 0.000 1.049 709 K CA 0.874 56.936 56.287 -0.376 0.000 0.979 709 K CB -0.029 32.105 32.500 -0.610 0.000 0.773 709 K HN 0.453 nan 8.250 nan 0.000 0.474 710 F N 1.285 121.234 119.950 -0.003 0.000 2.598 710 F HA 0.410 4.937 4.527 -0.000 0.000 0.327 710 F C -1.977 173.820 175.800 -0.004 0.000 1.057 710 F CA -3.818 54.179 58.000 -0.004 0.000 0.957 710 F CB -0.732 38.265 39.000 -0.006 0.000 1.278 710 F HN -0.181 nan 8.300 nan 0.000 0.484 711 P HA 0.250 nan 4.420 nan 0.000 0.269 711 P C -0.039 177.313 177.300 0.086 0.000 1.215 711 P CA -0.127 63.033 63.100 0.100 0.000 0.780 711 P CB 0.572 32.314 31.700 0.070 0.000 0.898 712 G N 0.237 109.072 108.800 0.059 0.000 2.532 712 G HA2 0.520 4.480 3.960 -0.000 0.000 0.291 712 G HA3 0.520 4.480 3.960 -0.000 0.000 0.291 712 G C -1.008 173.929 174.900 0.062 0.000 1.349 712 G CA -0.585 44.554 45.100 0.065 0.000 1.038 712 G HN 0.406 nan 8.290 nan 0.000 0.518 713 V N -0.756 119.216 119.914 0.096 0.000 2.656 713 V HA 0.572 4.692 4.120 -0.000 0.000 0.307 713 V C -0.223 175.960 176.094 0.148 0.000 1.051 713 V CA -0.608 61.746 62.300 0.089 0.000 0.893 713 V CB 1.951 33.804 31.823 0.050 0.000 0.999 713 V HN 0.703 nan 8.190 nan 0.000 0.426 714 T N 4.990 119.591 114.554 0.079 0.000 2.786 714 T HA 0.586 4.936 4.350 -0.000 0.000 0.283 714 T C -0.371 174.359 174.700 0.051 0.000 0.992 714 T CA -0.516 61.617 62.100 0.056 0.000 0.954 714 T CB 0.839 69.705 68.868 -0.003 0.000 0.934 714 T HN 0.580 nan 8.240 nan 0.000 0.440 715 R N 2.370 122.920 120.500 0.084 0.000 2.534 715 R HA 0.409 4.749 4.340 -0.000 0.000 0.301 715 R C -1.208 175.166 176.300 0.122 0.000 0.961 715 R CA -0.942 55.199 56.100 0.069 0.000 0.871 715 R CB 1.310 31.601 30.300 -0.014 0.000 1.170 715 R HN 0.491 nan 8.270 nan 0.000 0.446 716 D N 4.620 125.094 120.400 0.125 0.000 2.396 716 D HA 0.159 4.799 4.640 -0.000 0.000 0.225 716 D C 0.487 176.912 176.300 0.208 0.000 1.121 716 D CA -0.222 53.905 54.000 0.211 0.000 0.853 716 D CB 0.951 41.902 40.800 0.251 0.000 1.043 716 D HN 0.445 nan 8.370 nan 0.000 0.500 717 I N -1.315 119.375 120.570 0.199 0.000 2.662 717 I HA 0.671 4.841 4.170 -0.000 0.000 0.291 717 I C -0.508 175.649 176.117 0.066 0.000 1.046 717 I CA -0.784 60.596 61.300 0.133 0.000 1.361 717 I CB 1.462 39.521 38.000 0.099 0.000 1.429 717 I HN 0.192 nan 8.210 nan 0.000 0.558 718 A N 6.977 129.817 122.820 0.034 0.000 2.343 718 A HA 0.771 5.091 4.320 -0.000 0.000 0.308 718 A C -0.763 176.815 177.584 -0.010 0.000 1.092 718 A CA -0.660 51.370 52.037 -0.011 0.000 0.751 718 A CB 1.177 20.172 19.000 -0.007 0.000 1.203 718 A HN 0.799 nan 8.150 nan 0.000 0.452 719 L N 0.864 122.073 121.223 -0.024 0.000 2.299 719 L HA 0.742 5.082 4.340 -0.000 0.000 0.268 719 L C -0.046 176.821 176.870 -0.005 0.000 1.012 719 L CA -0.679 54.154 54.840 -0.012 0.000 0.816 719 L CB 1.936 43.987 42.059 -0.013 0.000 1.355 719 L HN 0.771 nan 8.230 nan 0.000 0.457 720 E N -0.153 120.049 120.200 0.004 0.000 2.304 720 E HA 0.606 4.956 4.350 -0.000 0.000 0.277 720 E C -1.743 174.867 176.600 0.017 0.000 0.898 720 E CA -0.454 55.954 56.400 0.013 0.000 0.764 720 E CB 3.101 32.808 29.700 0.012 0.000 1.216 720 E HN 0.123 nan 8.360 nan 0.000 0.419 721 V N 1.999 121.930 119.914 0.029 0.000 3.049 721 V HA 0.254 4.373 4.120 -0.000 0.000 0.309 721 V C -0.537 175.588 176.094 0.052 0.000 1.148 721 V CA -1.219 61.100 62.300 0.032 0.000 0.990 721 V CB 2.353 34.193 31.823 0.027 0.000 1.039 721 V HN 0.637 nan 8.190 nan 0.000 0.430 722 N N 2.507 121.235 118.700 0.047 0.000 2.182 722 N HA -0.121 4.619 4.740 -0.000 0.000 0.283 722 N C 0.254 175.814 175.510 0.083 0.000 1.380 722 N CA 0.616 53.703 53.050 0.062 0.000 0.874 722 N CB -0.410 38.098 38.487 0.035 0.000 1.190 722 N HN 0.920 nan 8.380 nan 0.000 0.494 723 H N 1.253 120.319 119.070 -0.006 0.000 3.392 723 H HA 0.143 4.698 4.556 -0.000 0.000 0.253 723 H C 0.082 175.404 175.328 -0.009 0.000 1.682 723 H CA 0.159 56.201 56.048 -0.009 0.000 1.535 723 H CB 0.169 29.922 29.762 -0.015 0.000 1.823 723 H HN 0.525 nan 8.280 nan 0.000 0.576 724 D N 2.332 122.629 120.400 -0.171 0.000 4.183 724 D HA -0.131 4.509 4.640 -0.000 0.000 0.308 724 D C -0.978 175.293 176.300 -0.049 0.000 0.407 724 D CA 0.316 54.249 54.000 -0.111 0.000 0.722 724 D CB -0.457 40.322 40.800 -0.034 0.000 1.584 724 D HN 0.300 nan 8.370 nan 0.000 0.132 725 V N 2.798 122.697 119.914 -0.025 0.000 2.472 725 V HA 0.569 4.689 4.120 -0.000 0.000 0.290 725 V C -2.144 173.946 176.094 -0.006 0.000 1.037 725 V CA -1.325 60.971 62.300 -0.006 0.000 0.908 725 V CB 1.572 33.400 31.823 0.007 0.000 0.985 725 V HN 0.001 nan 8.190 nan 0.000 0.454 726 P HA 0.176 nan 4.420 nan 0.000 0.270 726 P C 0.859 178.171 177.300 0.020 0.000 1.242 726 P CA 0.124 63.234 63.100 0.016 0.000 0.768 726 P CB 0.731 32.449 31.700 0.030 0.000 0.820 727 S N 2.623 118.333 115.700 0.016 0.000 2.414 727 S HA -0.281 4.189 4.470 -0.000 0.000 0.241 727 S C 1.926 176.545 174.600 0.032 0.000 1.079 727 S CA 2.275 60.485 58.200 0.016 0.000 1.087 727 S CB -1.090 62.115 63.200 0.007 0.000 0.927 727 S HN 0.734 nan 8.310 nan 0.000 0.456 728 S N 0.910 116.637 115.700 0.045 0.000 2.440 728 S HA -0.167 4.303 4.470 -0.000 0.000 0.240 728 S C 1.553 176.180 174.600 0.045 0.000 1.014 728 S CA 1.367 59.599 58.200 0.054 0.000 0.980 728 S CB -0.293 62.952 63.200 0.074 0.000 0.775 728 S HN 0.639 nan 8.310 nan 0.000 0.499 729 E N 0.789 121.012 120.200 0.037 0.000 2.075 729 E HA 0.150 4.500 4.350 -0.000 0.000 0.190 729 E C 2.012 178.633 176.600 0.035 0.000 0.969 729 E CA 0.618 57.038 56.400 0.033 0.000 0.815 729 E CB -0.181 29.535 29.700 0.026 0.000 0.776 729 E HN 0.474 nan 8.360 nan 0.000 0.457 730 L N 1.283 122.525 121.223 0.031 0.000 1.957 730 L HA -0.316 4.024 4.340 -0.000 0.000 0.228 730 L C 2.465 179.371 176.870 0.060 0.000 1.086 730 L CA 1.649 56.509 54.840 0.034 0.000 0.796 730 L CB -0.786 41.287 42.059 0.022 0.000 0.900 730 L HN 0.064 nan 8.230 nan 0.000 0.439 731 K N -0.458 119.985 120.400 0.072 0.000 2.189 731 K HA -0.311 4.009 4.320 -0.000 0.000 0.207 731 K C 2.190 178.878 176.600 0.148 0.000 1.046 731 K CA 2.109 58.473 56.287 0.128 0.000 0.928 731 K CB -0.182 32.364 32.500 0.076 0.000 0.720 731 K HN 0.262 nan 8.250 nan 0.000 0.458 732 Q N 1.171 121.022 119.800 0.085 0.000 2.137 732 Q HA -0.069 4.271 4.340 -0.000 0.000 0.198 732 Q C 1.878 177.931 176.000 0.087 0.000 0.960 732 Q CA 1.131 56.980 55.803 0.076 0.000 0.847 732 Q CB -0.012 28.754 28.738 0.047 0.000 0.915 732 Q HN 0.512 nan 8.270 nan 0.000 0.448 733 I N -2.801 117.809 120.570 0.066 0.000 2.235 733 I HA -0.117 4.053 4.170 -0.000 0.000 0.241 733 I C 1.986 178.131 176.117 0.048 0.000 1.085 733 I CA 0.915 62.245 61.300 0.049 0.000 1.378 733 I CB -0.663 37.355 38.000 0.029 0.000 1.076 733 I HN 0.071 nan 8.210 nan 0.000 0.415 734 I N 1.427 122.020 120.570 0.039 0.000 2.141 734 I HA -0.422 3.748 4.170 -0.000 0.000 0.243 734 I C 2.774 178.880 176.117 -0.020 0.000 1.035 734 I CA 2.093 63.393 61.300 0.001 0.000 1.302 734 I CB -1.017 36.983 38.000 0.001 0.000 1.006 734 I HN 0.434 nan 8.210 nan 0.000 0.413 735 H N -0.485 118.587 119.070 0.003 0.000 2.529 735 H HA -0.029 4.527 4.556 -0.000 0.000 0.277 735 H C 1.747 177.082 175.328 0.011 0.000 0.999 735 H CA 0.926 56.976 56.048 0.003 0.000 1.256 735 H CB -0.024 29.739 29.762 0.001 0.000 1.402 735 H HN 0.396 nan 8.280 nan 0.000 0.566 736 N N 0.150 118.916 118.700 0.109 0.000 2.416 736 N HA -0.044 4.695 4.740 -0.000 0.000 0.177 736 N C 1.316 176.853 175.510 0.045 0.000 1.036 736 N CA 0.449 53.541 53.050 0.069 0.000 0.901 736 N CB 0.241 38.761 38.487 0.054 0.000 0.976 736 N HN 0.322 nan 8.380 nan 0.000 0.444 737 N N -1.307 117.413 118.700 0.032 0.000 2.325 737 N HA 0.050 4.790 4.740 -0.000 0.000 0.182 737 N C 1.109 176.640 175.510 0.034 0.000 1.088 737 N CA 0.160 53.226 53.050 0.027 0.000 0.879 737 N CB 0.485 38.983 38.487 0.018 0.000 0.983 737 N HN 0.145 nan 8.380 nan 0.000 0.471 738 G N 0.897 109.708 108.800 0.019 0.000 2.985 738 G HA2 0.014 3.974 3.960 -0.000 0.000 0.209 738 G HA3 0.014 3.974 3.960 -0.000 0.000 0.209 738 G C 0.184 175.118 174.900 0.056 0.000 1.165 738 G CA -0.033 45.090 45.100 0.038 0.000 0.776 738 G HN 0.251 nan 8.290 nan 0.000 0.541 739 E N -0.318 119.909 120.200 0.044 0.000 3.642 739 E HA -0.285 4.065 4.350 -0.000 0.000 0.245 739 E C 0.437 177.063 176.600 0.043 0.000 1.486 739 E CA 0.649 57.075 56.400 0.043 0.000 2.265 739 E CB -0.936 28.790 29.700 0.043 0.000 2.084 739 E HN 0.091 nan 8.360 nan 0.000 0.472 740 D N 0.288 120.711 120.400 0.039 0.000 2.218 740 D HA -0.203 4.437 4.640 -0.000 0.000 0.194 740 D C 1.775 178.101 176.300 0.042 0.000 1.007 740 D CA 2.498 56.519 54.000 0.034 0.000 0.879 740 D CB -0.168 40.649 40.800 0.028 0.000 0.918 740 D HN 0.453 nan 8.370 nan 0.000 0.449 741 I N -2.909 117.703 120.570 0.069 0.000 4.240 741 I HA 0.221 4.391 4.170 -0.000 0.000 0.331 741 I C 0.120 176.319 176.117 0.136 0.000 1.381 741 I CA -0.584 60.776 61.300 0.101 0.000 1.136 741 I CB 0.427 38.500 38.000 0.121 0.000 1.137 741 I HN -0.223 nan 8.210 nan 0.000 0.411 742 L N 2.269 123.530 121.223 0.063 0.000 2.361 742 L HA 0.257 4.597 4.340 -0.000 0.000 0.278 742 L C 1.123 177.942 176.870 -0.084 0.000 1.113 742 L CA 0.578 55.351 54.840 -0.111 0.000 0.849 742 L CB 1.088 43.004 42.059 -0.239 0.000 1.155 742 L HN 0.315 nan 8.230 nan 0.000 0.452 743 Q N 3.098 122.839 119.800 -0.097 0.000 2.324 743 Q HA 0.221 4.561 4.340 -0.000 0.000 0.207 743 Q C -0.126 175.886 176.000 0.019 0.000 0.928 743 Q CA 0.834 56.623 55.803 -0.025 0.000 0.890 743 Q CB 0.453 29.177 28.738 -0.024 0.000 1.001 743 Q HN 0.782 nan 8.270 nan 0.000 0.517 744 S N -2.232 113.462 115.700 -0.011 0.000 2.597 744 S HA 0.562 5.032 4.470 -0.000 0.000 0.274 744 S C -0.930 173.694 174.600 0.040 0.000 1.132 744 S CA -0.301 57.946 58.200 0.077 0.000 0.835 744 S CB 1.309 64.527 63.200 0.029 0.000 1.092 744 S HN 0.087 nan 8.310 nan 0.000 0.457 745 T N 1.001 115.663 114.554 0.180 0.000 2.883 745 T HA 0.784 5.134 4.350 -0.000 0.000 0.296 745 T C -2.224 172.541 174.700 0.107 0.000 1.117 745 T CA -0.544 61.628 62.100 0.120 0.000 1.006 745 T CB 1.469 70.441 68.868 0.173 0.000 1.191 745 T HN 1.125 nan 8.240 nan 0.000 0.508 746 L N 3.430 124.718 121.223 0.107 0.000 2.516 746 L HA 0.617 4.956 4.340 -0.000 0.000 0.267 746 L C -1.110 175.859 176.870 0.165 0.000 0.957 746 L CA -0.566 54.346 54.840 0.120 0.000 0.860 746 L CB 1.856 43.986 42.059 0.119 0.000 1.265 746 L HN 0.492 nan 8.230 nan 0.000 0.403 747 V N 6.342 126.306 119.914 0.084 0.000 2.405 747 V HA 0.115 4.235 4.120 -0.000 0.000 0.264 747 V C 0.710 176.828 176.094 0.041 0.000 1.048 747 V CA 0.200 62.507 62.300 0.011 0.000 0.966 747 V CB 0.013 31.810 31.823 -0.043 0.000 1.015 747 V HN 0.712 nan 8.190 nan 0.000 0.477 748 F N 1.110 121.040 119.950 -0.034 0.000 2.682 748 F HA 0.675 5.202 4.527 -0.000 0.000 0.308 748 F C 0.139 175.912 175.800 -0.044 0.000 1.093 748 F CA -0.633 57.342 58.000 -0.042 0.000 1.244 748 F CB 0.431 39.410 39.000 -0.034 0.000 1.052 748 F HN 0.451 nan 8.300 nan 0.000 0.573 749 D N 0.028 120.188 120.400 -0.400 0.000 2.706 749 D HA 0.571 5.211 4.640 -0.000 0.000 0.227 749 D C -1.672 174.497 176.300 -0.219 0.000 1.233 749 D CA -0.272 53.564 54.000 -0.273 0.000 0.768 749 D CB 2.829 43.438 40.800 -0.319 0.000 1.490 749 D HN -0.093 nan 8.370 nan 0.000 0.458 750 V N 2.518 122.379 119.914 -0.089 0.000 2.888 750 V HA 0.537 4.657 4.120 -0.000 0.000 0.309 750 V C -1.381 174.809 176.094 0.161 0.000 1.114 750 V CA -0.718 61.579 62.300 -0.005 0.000 0.940 750 V CB 1.946 33.764 31.823 -0.008 0.000 1.021 750 V HN 0.540 nan 8.190 nan 0.000 0.426 751 Y N 3.939 124.214 120.300 -0.043 0.000 2.391 751 Y HA 0.648 5.198 4.550 -0.000 0.000 0.341 751 Y C 0.170 176.077 175.900 0.012 0.000 0.965 751 Y CA -1.219 56.871 58.100 -0.017 0.000 1.067 751 Y CB 2.016 40.461 38.460 -0.025 0.000 1.199 751 Y HN 0.841 nan 8.280 nan 0.000 0.450 759 G N 2.185 110.788 108.800 -0.328 0.000 2.545 759 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.195 759 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.195 759 G C -0.455 174.380 174.900 -0.108 0.000 1.009 759 G CA -0.439 44.546 45.100 -0.193 0.000 0.703 759 G HN 0.321 nan 8.290 nan 0.000 0.479 760 K N 0.706 121.031 120.400 -0.126 0.000 2.385 760 K HA 0.587 4.907 4.320 -0.000 0.000 0.248 760 K C -0.549 176.063 176.600 0.020 0.000 0.955 760 K CA -0.870 55.420 56.287 0.006 0.000 0.816 760 K CB 2.198 34.698 32.500 0.001 0.000 1.250 760 K HN 0.326 nan 8.250 nan 0.000 0.434 761 K N -0.451 120.010 120.400 0.102 0.000 2.259 761 K HA 0.390 4.709 4.320 -0.000 0.000 0.249 761 K C -0.655 175.981 176.600 0.060 0.000 0.942 761 K CA -0.777 55.568 56.287 0.097 0.000 0.816 761 K CB 1.753 34.338 32.500 0.141 0.000 1.155 761 K HN 0.540 nan 8.250 nan 0.000 0.428 762 S N 0.922 116.662 115.700 0.065 0.000 2.489 762 S HA 0.300 4.770 4.470 -0.000 0.000 0.277 762 S C -0.000 174.591 174.600 -0.014 0.000 1.230 762 S CA -0.815 57.401 58.200 0.027 0.000 1.053 762 S CB 0.838 64.059 63.200 0.034 0.000 0.955 762 S HN 0.402 nan 8.310 nan 0.000 0.488 763 V N 2.580 122.465 119.914 -0.048 0.000 2.313 763 V HA 0.655 4.775 4.120 -0.000 0.000 0.278 763 V C 0.491 176.485 176.094 -0.166 0.000 1.017 763 V CA -0.890 61.349 62.300 -0.100 0.000 0.823 763 V CB 0.533 32.319 31.823 -0.062 0.000 1.010 763 V HN 1.109 nan 8.190 nan 0.000 0.443 764 A N 7.150 129.771 122.820 -0.332 0.000 2.362 764 A HA 0.819 5.139 4.320 -0.000 0.000 0.276 764 A C -0.312 176.914 177.584 -0.597 0.000 1.153 764 A CA -0.117 51.584 52.037 -0.562 0.000 0.813 764 A CB 0.024 18.397 19.000 -1.044 0.000 1.081 764 A HN 0.809 nan 8.150 nan 0.000 0.507 765 I N 1.980 122.456 120.570 -0.157 0.000 2.569 765 I HA 0.422 4.592 4.170 -0.000 0.000 0.290 765 I C -0.096 176.209 176.117 0.313 0.000 1.088 765 I CA -0.644 60.715 61.300 0.098 0.000 1.047 765 I CB 2.205 40.232 38.000 0.045 0.000 1.237 765 I HN 0.824 nan 8.210 nan 0.000 0.421 766 R N 5.879 126.592 120.500 0.356 0.000 2.295 766 R HA 0.672 5.012 4.340 -0.000 0.000 0.324 766 R C -1.840 174.498 176.300 0.062 0.000 0.968 766 R CA -0.490 55.731 56.100 0.200 0.000 0.837 766 R CB 1.125 31.448 30.300 0.038 0.000 1.133 766 R HN 0.567 nan 8.270 nan 0.000 0.450 767 L N 3.995 125.222 121.223 0.007 0.000 2.289 767 L HA 0.398 4.738 4.340 -0.000 0.000 0.285 767 L C -0.498 176.235 176.870 -0.228 0.000 1.049 767 L CA -0.327 54.412 54.840 -0.168 0.000 0.804 767 L CB 1.679 43.608 42.059 -0.218 0.000 1.195 767 L HN 0.668 nan 8.230 nan 0.000 0.428 768 N N 3.386 121.912 118.700 -0.290 0.000 2.518 768 N HA 0.277 5.017 4.740 -0.000 0.000 0.254 768 N C -1.278 174.094 175.510 -0.230 0.000 0.979 768 N CA -0.445 52.498 53.050 -0.177 0.000 0.930 768 N CB 1.163 39.600 38.487 -0.083 0.000 1.152 768 N HN 0.338 nan 8.380 nan 0.000 0.505 769 Y N 1.342 121.631 120.300 -0.018 0.000 2.320 769 Y HA 0.613 5.163 4.550 -0.000 0.000 0.324 769 Y C 0.320 176.211 175.900 -0.015 0.000 1.190 769 Y CA -0.738 57.351 58.100 -0.018 0.000 1.215 769 Y CB 1.266 39.714 38.460 -0.020 0.000 1.221 769 Y HN 0.352 nan 8.280 nan 0.000 0.486 770 L N 2.310 123.620 121.223 0.144 0.000 2.724 770 L HA 0.458 4.798 4.340 -0.000 0.000 0.258 770 L C -2.123 174.777 176.870 0.049 0.000 0.967 770 L CA -0.407 54.475 54.840 0.070 0.000 0.891 770 L CB 2.415 44.490 42.059 0.027 0.000 1.456 770 L HN 0.651 nan 8.230 nan 0.000 0.416 771 D N 0.900 121.314 120.400 0.024 0.000 2.323 771 D HA 0.268 4.907 4.640 -0.000 0.000 0.242 771 D C 0.496 176.778 176.300 -0.030 0.000 1.347 771 D CA 0.432 54.435 54.000 0.004 0.000 0.988 771 D CB 1.485 42.295 40.800 0.017 0.000 1.314 771 D HN 0.688 nan 8.370 nan 0.000 0.564 772 T N 0.114 114.636 114.554 -0.052 0.000 3.160 772 T HA 0.013 4.363 4.350 -0.000 0.000 0.257 772 T C 1.182 175.831 174.700 -0.085 0.000 1.147 772 T CA 0.664 62.711 62.100 -0.088 0.000 1.064 772 T CB 0.642 69.444 68.868 -0.110 0.000 0.949 772 T HN 0.213 nan 8.240 nan 0.000 0.526 773 E N 0.864 121.031 120.200 -0.056 0.000 2.192 773 E HA 0.241 4.591 4.350 -0.000 0.000 0.196 773 E C -0.077 176.505 176.600 -0.030 0.000 0.922 773 E CA 0.297 56.672 56.400 -0.041 0.000 0.924 773 E CB 0.484 30.168 29.700 -0.027 0.000 0.911 773 E HN 0.412 nan 8.360 nan 0.000 0.478 774 D N -1.333 119.057 120.400 -0.016 0.000 2.467 774 D HA 0.242 4.881 4.640 -0.000 0.000 0.245 774 D C -1.105 175.205 176.300 0.017 0.000 1.038 774 D CA -0.401 53.600 54.000 0.002 0.000 1.038 774 D CB 1.724 42.529 40.800 0.008 0.000 1.278 774 D HN -0.126 nan 8.370 nan 0.000 0.564 775 T N 0.829 115.408 114.554 0.042 0.000 2.779 775 T HA 0.309 4.659 4.350 -0.000 0.000 0.296 775 T C -0.359 174.377 174.700 0.058 0.000 0.938 775 T CA -0.440 61.709 62.100 0.081 0.000 1.119 775 T CB -0.186 68.745 68.868 0.105 0.000 0.891 775 T HN 0.215 nan 8.240 nan 0.000 0.526 776 L N 6.618 127.882 121.223 0.068 0.000 2.380 776 L HA 0.590 4.930 4.340 -0.000 0.000 0.273 776 L C 0.441 177.326 176.870 0.026 0.000 1.138 776 L CA 0.293 55.157 54.840 0.040 0.000 0.832 776 L CB 0.920 43.007 42.059 0.046 0.000 1.124 776 L HN 0.790 nan 8.230 nan 0.000 0.454 777 T N -0.419 114.132 114.554 -0.005 0.000 2.907 777 T HA 0.306 4.656 4.350 -0.000 0.000 0.292 777 T C 0.430 175.098 174.700 -0.052 0.000 1.043 777 T CA -0.297 61.791 62.100 -0.020 0.000 1.003 777 T CB 1.363 70.221 68.868 -0.017 0.000 1.084 777 T HN 0.665 nan 8.240 nan 0.000 0.483 778 D N -0.069 120.297 120.400 -0.056 0.000 2.310 778 D HA -0.120 4.519 4.640 -0.000 0.000 0.212 778 D C 1.592 177.842 176.300 -0.083 0.000 0.965 778 D CA 1.087 55.038 54.000 -0.081 0.000 0.879 778 D CB 0.184 40.945 40.800 -0.065 0.000 0.921 778 D HN 0.735 nan 8.370 nan 0.000 0.510 779 E N -0.140 120.024 120.200 -0.059 0.000 2.086 779 E HA -0.109 4.240 4.350 -0.000 0.000 0.190 779 E C 2.137 178.706 176.600 -0.053 0.000 0.975 779 E CA 0.117 56.488 56.400 -0.048 0.000 0.813 779 E CB 0.007 29.688 29.700 -0.031 0.000 0.768 779 E HN 0.146 nan 8.360 nan 0.000 0.457 780 R N 0.468 120.936 120.500 -0.054 0.000 2.115 780 R HA -0.072 4.268 4.340 -0.000 0.000 0.230 780 R C 2.234 178.473 176.300 -0.102 0.000 1.111 780 R CA 1.038 57.106 56.100 -0.055 0.000 0.976 780 R CB 0.061 30.339 30.300 -0.037 0.000 0.870 780 R HN 0.131 nan 8.270 nan 0.000 0.445 781 V N -0.030 119.780 119.914 -0.173 0.000 2.591 781 V HA -0.129 3.991 4.120 -0.000 0.000 0.249 781 V C 2.041 177.947 176.094 -0.314 0.000 1.053 781 V CA 1.661 63.741 62.300 -0.366 0.000 1.068 781 V CB 0.135 31.688 31.823 -0.450 0.000 0.689 781 V HN 0.310 nan 8.190 nan 0.000 0.462 782 S N -0.314 115.284 115.700 -0.169 0.000 2.387 782 S HA -0.163 4.307 4.470 -0.000 0.000 0.226 782 S C 1.958 176.554 174.600 -0.008 0.000 1.026 782 S CA 1.196 59.356 58.200 -0.067 0.000 0.972 782 S CB -0.213 62.955 63.200 -0.054 0.000 0.814 782 S HN 0.568 nan 8.310 nan 0.000 0.477 783 K N 1.312 121.696 120.400 -0.026 0.000 2.032 783 K HA -0.064 4.256 4.320 -0.000 0.000 0.209 783 K C 1.992 178.599 176.600 0.011 0.000 1.048 783 K CA 1.359 57.642 56.287 -0.006 0.000 0.927 783 K CB -0.269 32.224 32.500 -0.012 0.000 0.712 783 K HN 0.308 nan 8.250 nan 0.000 0.441 784 I N -0.036 120.538 120.570 0.006 0.000 2.233 784 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 784 I C 2.440 178.620 176.117 0.104 0.000 1.093 784 I CA 1.141 62.470 61.300 0.049 0.000 1.380 784 I CB -0.342 37.696 38.000 0.063 0.000 1.067 784 I HN 0.320 nan 8.210 nan 0.000 0.413 785 H N 1.502 120.559 119.070 -0.022 0.000 2.265 785 H HA -0.249 4.307 4.556 -0.000 0.000 0.293 785 H C 1.766 177.121 175.328 0.045 0.000 1.089 785 H CA 2.247 58.328 56.048 0.055 0.000 1.244 785 H CB -0.201 29.548 29.762 -0.022 0.000 1.355 785 H HN 0.279 nan 8.280 nan 0.000 0.485 786 D N -0.408 120.027 120.400 0.057 0.000 2.264 786 D HA -0.116 4.524 4.640 -0.000 0.000 0.208 786 D C 2.064 178.349 176.300 -0.024 0.000 0.966 786 D CA 1.038 55.031 54.000 -0.010 0.000 0.864 786 D CB 0.002 40.819 40.800 0.029 0.000 0.933 786 D HN 0.551 nan 8.370 nan 0.000 0.499 787 K N 1.252 121.649 120.400 -0.004 0.000 2.116 787 K HA -0.081 4.239 4.320 -0.000 0.000 0.203 787 K C 2.174 178.766 176.600 -0.013 0.000 1.052 787 K CA 0.412 56.697 56.287 -0.003 0.000 0.952 787 K CB -0.106 32.401 32.500 0.012 0.000 0.729 787 K HN -0.043 nan 8.250 nan 0.000 0.446 788 I N 1.569 122.128 120.570 -0.018 0.000 2.068 788 I HA -0.343 3.827 4.170 -0.000 0.000 0.238 788 I C 1.899 177.971 176.117 -0.075 0.000 1.046 788 I CA 1.522 62.796 61.300 -0.043 0.000 1.306 788 I CB -0.233 37.737 38.000 -0.051 0.000 1.023 788 I HN 0.151 nan 8.210 nan 0.000 0.399 789 L N -0.117 121.025 121.223 -0.134 0.000 2.456 789 L HA -0.154 4.186 4.340 -0.000 0.000 0.224 789 L C 2.081 178.917 176.870 -0.057 0.000 1.148 789 L CA 1.411 56.183 54.840 -0.114 0.000 0.825 789 L CB -0.668 41.302 42.059 -0.150 0.000 0.937 789 L HN 0.262 nan 8.230 nan 0.000 0.450 790 E N -0.634 119.541 120.200 -0.042 0.000 2.251 790 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 790 E C 2.344 178.936 176.600 -0.013 0.000 0.964 790 E CA 0.639 57.026 56.400 -0.021 0.000 0.868 790 E CB -0.018 29.673 29.700 -0.014 0.000 0.828 790 E HN 0.453 nan 8.360 nan 0.000 0.481 791 A N 1.138 123.951 122.820 -0.013 0.000 1.930 791 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 791 A C 2.103 179.685 177.584 -0.004 0.000 1.175 791 A CA 0.826 52.860 52.037 -0.004 0.000 0.627 791 A CB -0.453 18.547 19.000 0.001 0.000 0.815 791 A HN 0.116 nan 8.150 nan 0.000 0.443 792 L N -1.137 120.079 121.223 -0.012 0.000 2.005 792 L HA -0.250 4.089 4.340 -0.000 0.000 0.207 792 L C 2.897 179.763 176.870 -0.007 0.000 1.072 792 L CA 1.745 56.579 54.840 -0.010 0.000 0.744 792 L CB -0.591 41.456 42.059 -0.020 0.000 0.895 792 L HN 0.438 nan 8.230 nan 0.000 0.433 793 Q N -0.633 119.161 119.800 -0.010 0.000 2.152 793 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 793 Q C 2.146 178.145 176.000 -0.001 0.000 0.985 793 Q CA 1.916 57.715 55.803 -0.006 0.000 0.863 793 Q CB -0.183 28.550 28.738 -0.007 0.000 0.904 793 Q HN 0.575 nan 8.270 nan 0.000 0.422 794 A N 0.024 122.843 122.820 -0.001 0.000 2.081 794 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 794 A C 1.366 178.953 177.584 0.004 0.000 1.158 794 A CA 0.589 52.627 52.037 0.002 0.000 0.724 794 A CB 0.249 19.250 19.000 0.002 0.000 0.826 794 A HN 0.128 nan 8.150 nan 0.000 0.463 795 E N -0.758 119.445 120.200 0.005 0.000 2.463 795 E HA 0.250 4.600 4.350 -0.000 0.000 0.193 795 E C 0.570 177.174 176.600 0.008 0.000 1.041 795 E CA 0.650 57.054 56.400 0.007 0.000 0.879 795 E CB 0.424 30.130 29.700 0.010 0.000 0.997 795 E HN 0.659 nan 8.360 nan 0.000 0.478 796 G N 0.770 109.573 108.800 0.006 0.000 2.223 796 G HA2 0.020 3.980 3.960 -0.000 0.000 0.200 796 G HA3 0.020 3.980 3.960 -0.000 0.000 0.200 796 G C -0.163 174.741 174.900 0.007 0.000 1.061 796 G CA -0.199 44.905 45.100 0.007 0.000 0.790 796 G HN 0.294 nan 8.290 nan 0.000 0.498 797 A N 0.339 123.161 122.820 0.004 0.000 2.318 797 A HA 0.912 5.232 4.320 -0.000 0.000 0.317 797 A C 0.439 178.024 177.584 0.001 0.000 1.159 797 A CA 0.117 52.156 52.037 0.003 0.000 0.799 797 A CB 1.338 20.338 19.000 0.000 0.000 1.194 797 A HN 0.458 nan 8.150 nan 0.000 0.479 798 T N 1.960 116.516 114.554 0.003 0.000 2.852 798 T HA 0.499 4.848 4.350 -0.000 0.000 0.281 798 T C 1.132 175.833 174.700 0.002 0.000 0.993 798 T CA -0.283 61.818 62.100 0.003 0.000 0.933 798 T CB 0.116 68.987 68.868 0.005 0.000 1.187 798 T HN 0.575 nan 8.240 nan 0.000 0.559 799 I N 0.000 120.572 120.570 0.003 0.000 2.984 799 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 799 I CA 0.000 61.302 61.300 0.004 0.000 1.566 799 I CB 0.000 38.005 38.000 0.009 0.000 1.214 799 I HN 0.000 nan 8.210 nan 0.000 0.494