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 1tqy_1_G DATA FIRST_RESID 3 DATA SEQUENCE RRVVITGVGV RAPGGNGTRQ FWELLTSGRT ATRRISFFDP SPYRSQVAAE DATA SEQUENCE ADFDPVAEGF GPRELDRMDR ASQFAVACAR EAFAASGLDP DTLDPARVGV DATA SEQUENCE SLGSAVAAAT SLEREYLLLS DSGRDWEVDA AWLSRHMFDY LVPSVMPAEV DATA SEQUENCE AWAVGAEGPV TMVSTGCTSG LDSVGNAVRA IEEGSADVMF AGAADTPITP DATA SEQUENCE IVVACFDAIR ATTARNDDPE HASRPFDGTR DGFVLAEGAA MFVLEDYDSA DATA SEQUENCE LARGARIHAE ISGYATRCNA YHMTGLKADG REMAETIRVA LDESRTDATD DATA SEQUENCE IDYINAHGSG TRQNDRHETA AYKRALGEHA RRTPVSSIKS MVGHSLGAIG DATA SEQUENCE SLEIAACVLA LEHGVVPPTA NLRTSDPECD LDYVPLEARE RKLRSVLTVG DATA SEQUENCE SGFGGFQSAM VLRDAETAGA A 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.319 176.300 0.031 0.000 0.893 3 R CA 0.000 56.121 56.100 0.036 0.000 0.921 3 R CB 0.000 30.321 30.300 0.035 0.000 0.687 4 R N 0.632 121.165 120.500 0.055 0.000 2.474 4 R HA 0.604 4.944 4.340 -0.000 0.000 0.295 4 R C -0.662 175.652 176.300 0.023 0.000 0.980 4 R CA -0.788 55.319 56.100 0.010 0.000 0.934 4 R CB 1.654 31.932 30.300 -0.037 0.000 1.101 4 R HN 0.167 nan 8.270 nan 0.000 0.469 5 V N 3.083 122.978 119.914 -0.032 0.000 2.555 5 V HA 0.531 4.651 4.120 -0.000 0.000 0.302 5 V C -0.162 175.899 176.094 -0.054 0.000 1.038 5 V CA -0.769 61.515 62.300 -0.027 0.000 0.887 5 V CB 1.763 33.558 31.823 -0.046 0.000 0.991 5 V HN 0.638 nan 8.190 nan 0.000 0.434 6 V N 2.029 121.932 119.914 -0.019 0.000 3.078 6 V HA 0.682 4.802 4.120 -0.000 0.000 0.311 6 V C -0.682 175.402 176.094 -0.016 0.000 1.138 6 V CA -0.940 61.349 62.300 -0.019 0.000 1.007 6 V CB 2.202 34.055 31.823 0.050 0.000 1.045 6 V HN 0.669 nan 8.190 nan 0.000 0.432 7 I N 2.916 123.480 120.570 -0.009 0.000 2.342 7 I HA 0.427 4.597 4.170 -0.000 0.000 0.291 7 I C 1.268 177.460 176.117 0.125 0.000 1.010 7 I CA 0.205 61.508 61.300 0.006 0.000 1.308 7 I CB 1.972 39.942 38.000 -0.049 0.000 1.400 7 I HN 1.005 nan 8.210 nan 0.000 0.488 8 T N 0.648 115.260 114.554 0.097 0.000 3.003 8 T HA 0.361 4.711 4.350 -0.000 0.000 0.261 8 T C 0.487 175.287 174.700 0.167 0.000 1.003 8 T CA -0.222 62.001 62.100 0.205 0.000 0.917 8 T CB 0.570 69.485 68.868 0.078 0.000 1.084 8 T HN 0.713 nan 8.240 nan 0.000 0.522 9 G N 0.377 109.152 108.800 -0.040 0.000 2.759 9 G HA2 0.556 4.516 3.960 -0.000 0.000 0.297 9 G HA3 0.556 4.516 3.960 -0.000 0.000 0.297 9 G C -1.917 172.911 174.900 -0.120 0.000 1.434 9 G CA -0.562 44.480 45.100 -0.096 0.000 0.980 9 G HN 0.252 nan 8.290 nan 0.000 0.531 10 V N 0.188 120.004 119.914 -0.164 0.000 2.656 10 V HA 0.918 5.038 4.120 -0.000 0.000 0.307 10 V C 0.443 176.442 176.094 -0.159 0.000 1.051 10 V CA -0.314 61.889 62.300 -0.163 0.000 0.893 10 V CB 2.065 33.828 31.823 -0.100 0.000 0.999 10 V HN 1.240 nan 8.190 nan 0.000 0.426 11 G N 1.814 110.450 108.800 -0.274 0.000 2.666 11 G HA2 0.647 4.607 3.960 -0.000 0.000 0.303 11 G HA3 0.647 4.607 3.960 -0.000 0.000 0.303 11 G C -1.691 173.051 174.900 -0.264 0.000 1.412 11 G CA -0.618 44.374 45.100 -0.180 0.000 0.979 11 G HN 0.763 nan 8.290 nan 0.000 0.507 12 V N 2.552 122.346 119.914 -0.199 0.000 2.925 12 V HA 0.940 5.060 4.120 -0.000 0.000 0.311 12 V C -1.336 174.638 176.094 -0.200 0.000 1.104 12 V CA -1.245 60.888 62.300 -0.278 0.000 0.954 12 V CB 2.343 33.903 31.823 -0.439 0.000 1.022 12 V HN 0.671 nan 8.190 nan 0.000 0.427 13 R N 3.976 124.351 120.500 -0.209 0.000 2.625 13 R HA 0.833 5.173 4.340 -0.000 0.000 0.286 13 R C -0.811 175.419 176.300 -0.116 0.000 1.406 13 R CA 0.488 56.482 56.100 -0.176 0.000 1.052 13 R CB 1.264 31.394 30.300 -0.284 0.000 1.203 13 R HN 1.144 nan 8.270 nan 0.000 0.502 14 A N 3.897 126.672 122.820 -0.075 0.000 2.423 14 A HA 0.856 5.176 4.320 -0.000 0.000 0.304 14 A C -2.634 175.022 177.584 0.121 0.000 1.104 14 A CA -1.949 50.109 52.037 0.035 0.000 0.757 14 A CB 1.269 20.263 19.000 -0.010 0.000 1.313 14 A HN 0.425 nan 8.150 nan 0.000 0.423 15 P HA 0.177 nan 4.420 nan 0.000 0.263 15 P C 0.842 178.221 177.300 0.132 0.000 1.195 15 P CA 1.824 65.004 63.100 0.134 0.000 0.762 15 P CB 0.555 32.318 31.700 0.105 0.000 0.799 16 G N 2.328 111.194 108.800 0.110 0.000 2.179 16 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.257 16 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.257 16 G C 0.460 175.443 174.900 0.138 0.000 1.010 16 G CA -0.059 45.100 45.100 0.097 0.000 0.736 16 G HN 0.972 nan 8.290 nan 0.000 0.513 17 G N -0.542 108.359 108.800 0.169 0.000 3.846 17 G HA2 0.402 4.362 3.960 -0.000 0.000 0.281 17 G HA3 0.402 4.362 3.960 -0.000 0.000 0.281 17 G C -0.508 174.480 174.900 0.146 0.000 1.384 17 G CA -0.074 45.168 45.100 0.236 0.000 0.641 17 G HN 0.373 nan 8.290 nan 0.000 0.458 18 N N 1.703 120.461 118.700 0.096 0.000 2.448 18 N HA 0.497 5.237 4.740 -0.000 0.000 0.250 18 N C 0.622 176.166 175.510 0.055 0.000 1.136 18 N CA 1.306 54.384 53.050 0.047 0.000 0.953 18 N CB 0.690 39.196 38.487 0.033 0.000 1.251 18 N HN 1.172 nan 8.380 nan 0.000 0.502 19 G N 1.946 110.770 108.800 0.040 0.000 2.650 19 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.686 19 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.686 19 G C 0.884 175.870 174.900 0.144 0.000 1.205 19 G CA -0.133 45.002 45.100 0.058 0.000 0.781 19 G HN 0.503 nan 8.290 nan 0.000 0.648 20 T N -0.590 114.051 114.554 0.145 0.000 2.759 20 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 20 T C 2.306 177.186 174.700 0.302 0.000 1.042 20 T CA 1.956 64.212 62.100 0.261 0.000 1.140 20 T CB -0.168 68.810 68.868 0.184 0.000 0.864 20 T HN 0.663 nan 8.240 nan 0.000 0.455 21 R N 1.273 121.898 120.500 0.209 0.000 2.088 21 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 21 R C 2.676 179.093 176.300 0.196 0.000 1.136 21 R CA 1.990 58.202 56.100 0.188 0.000 0.926 21 R CB -1.159 29.218 30.300 0.129 0.000 0.837 21 R HN 0.630 nan 8.270 nan 0.000 0.429 22 Q N -0.257 119.645 119.800 0.170 0.000 2.124 22 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 22 Q C 1.981 178.103 176.000 0.203 0.000 0.977 22 Q CA 1.321 57.212 55.803 0.146 0.000 0.850 22 Q CB -0.163 28.647 28.738 0.121 0.000 0.901 22 Q HN 0.216 nan 8.270 nan 0.000 0.429 23 F N -0.016 120.002 119.950 0.113 0.000 2.095 23 F HA -0.248 4.279 4.527 0.000 0.000 0.298 23 F C 1.877 177.798 175.800 0.201 0.000 1.104 23 F CA 1.633 59.717 58.000 0.140 0.000 1.232 23 F CB -0.739 38.353 39.000 0.154 0.000 0.987 23 F HN 0.296 nan 8.300 nan 0.000 0.475 24 W N 1.479 122.716 121.300 -0.104 0.000 2.402 24 W HA -0.174 4.486 4.660 -0.000 0.000 0.286 24 W C 2.272 178.670 176.519 -0.201 0.000 1.221 24 W CA 1.429 58.630 57.345 -0.241 0.000 1.257 24 W CB -0.249 29.119 29.460 -0.153 0.000 1.120 24 W HN 0.232 nan 8.180 nan 0.000 0.551 25 E N 0.805 120.960 120.200 -0.076 0.000 2.077 25 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 25 E C 2.258 178.731 176.600 -0.211 0.000 0.989 25 E CA 1.462 57.768 56.400 -0.157 0.000 0.800 25 E CB -0.416 29.262 29.700 -0.037 0.000 0.746 25 E HN 0.296 nan 8.360 nan 0.000 0.452 26 L N 0.697 121.823 121.223 -0.161 0.000 2.005 26 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 26 L C 2.364 179.084 176.870 -0.250 0.000 1.072 26 L CA 1.238 55.988 54.840 -0.150 0.000 0.744 26 L CB -0.252 41.772 42.059 -0.060 0.000 0.895 26 L HN 0.180 nan 8.230 nan 0.000 0.433 27 L N -0.801 120.192 121.223 -0.383 0.000 2.042 27 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 27 L C 2.557 179.113 176.870 -0.524 0.000 1.076 27 L CA 1.977 56.549 54.840 -0.447 0.000 0.749 27 L CB -1.401 40.322 42.059 -0.560 0.000 0.893 27 L HN 0.509 nan 8.230 nan 0.000 0.432 28 T N -3.740 110.368 114.554 -0.744 0.000 2.951 28 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 28 T C 1.981 176.460 174.700 -0.368 0.000 1.073 28 T CA 0.984 62.685 62.100 -0.665 0.000 1.134 28 T CB -0.380 67.971 68.868 -0.861 0.000 0.884 28 T HN 0.436 nan 8.240 nan 0.000 0.479 29 S N 1.042 116.566 115.700 -0.294 0.000 2.453 29 S HA 0.302 4.772 4.470 -0.000 0.000 0.231 29 S C 2.158 176.675 174.600 -0.137 0.000 1.005 29 S CA 0.697 58.789 58.200 -0.180 0.000 0.949 29 S CB -0.998 62.120 63.200 -0.137 0.000 0.774 29 S HN 1.286 nan 8.310 nan 0.000 0.510 30 G N 2.061 110.769 108.800 -0.152 0.000 2.179 30 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.260 30 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.260 30 G C 0.126 174.993 174.900 -0.055 0.000 0.977 30 G CA 0.218 45.260 45.100 -0.097 0.000 0.641 30 G HN 0.992 nan 8.290 nan 0.000 0.533 31 R N 0.076 120.540 120.500 -0.061 0.000 2.577 31 R HA 0.670 5.010 4.340 -0.000 0.000 0.269 31 R C 0.554 176.832 176.300 -0.036 0.000 1.084 31 R CA 0.131 56.212 56.100 -0.033 0.000 1.163 31 R CB 0.435 30.715 30.300 -0.033 0.000 1.100 31 R HN 0.426 nan 8.270 nan 0.000 0.547 32 T N -3.012 111.519 114.554 -0.039 0.000 2.948 32 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 32 T C 0.446 175.116 174.700 -0.049 0.000 1.019 32 T CA -0.537 61.534 62.100 -0.049 0.000 1.013 32 T CB 1.880 70.697 68.868 -0.086 0.000 1.117 32 T HN 0.696 nan 8.240 nan 0.000 0.533 33 A N 0.710 123.510 122.820 -0.033 0.000 2.603 33 A HA 0.426 4.746 4.320 -0.000 0.000 0.277 33 A C 0.969 178.529 177.584 -0.041 0.000 1.158 33 A CA -0.103 51.922 52.037 -0.020 0.000 0.962 33 A CB -0.446 18.568 19.000 0.024 0.000 1.189 33 A HN 1.067 nan 8.150 nan 0.000 0.552 34 T N -0.281 114.233 114.554 -0.066 0.000 2.832 34 T HA 0.684 5.034 4.350 -0.000 0.000 0.296 34 T C -0.015 174.622 174.700 -0.105 0.000 0.968 34 T CA -0.397 61.655 62.100 -0.080 0.000 1.107 34 T CB 1.313 70.136 68.868 -0.076 0.000 0.916 34 T HN 0.299 nan 8.240 nan 0.000 0.517 35 R N 1.267 121.703 120.500 -0.107 0.000 2.810 35 R HA 0.460 4.800 4.340 -0.000 0.000 0.266 35 R C -0.433 175.795 176.300 -0.121 0.000 1.061 35 R CA -1.096 54.939 56.100 -0.107 0.000 0.943 35 R CB 1.368 31.610 30.300 -0.096 0.000 1.237 35 R HN 0.763 nan 8.270 nan 0.000 0.459 36 R N 1.074 121.510 120.500 -0.107 0.000 2.590 36 R HA 0.188 4.528 4.340 -0.000 0.000 0.274 36 R C 0.103 176.294 176.300 -0.181 0.000 1.061 36 R CA -0.150 55.880 56.100 -0.116 0.000 1.081 36 R CB 0.238 30.490 30.300 -0.080 0.000 0.984 36 R HN 0.469 nan 8.270 nan 0.000 0.448 37 I N 3.177 123.602 120.570 -0.242 0.000 2.775 37 I HA -0.153 4.017 4.170 -0.000 0.000 0.290 37 I C 1.283 177.184 176.117 -0.360 0.000 1.203 37 I CA 0.820 61.873 61.300 -0.410 0.000 1.433 37 I CB 1.174 38.830 38.000 -0.573 0.000 1.354 37 I HN 0.820 nan 8.210 nan 0.000 0.579 38 S N 4.530 120.012 115.700 -0.364 0.000 2.687 38 S HA 0.125 4.595 4.470 -0.000 0.000 0.247 38 S C 1.305 175.932 174.600 0.044 0.000 1.050 38 S CA -0.334 57.785 58.200 -0.135 0.000 1.063 38 S CB 0.014 63.192 63.200 -0.037 0.000 1.039 38 S HN 0.512 nan 8.310 nan 0.000 0.580 39 F N 3.094 122.914 119.950 -0.217 0.000 2.365 39 F HA 0.324 4.851 4.527 -0.000 0.000 0.300 39 F C 0.784 176.639 175.800 0.092 0.000 1.090 39 F CA -0.726 57.244 58.000 -0.051 0.000 1.408 39 F CB -0.884 38.128 39.000 0.020 0.000 1.060 39 F HN 0.441 nan 8.300 nan 0.000 0.534 40 F N -3.586 116.486 119.950 0.203 0.000 2.817 40 F HA 0.372 4.899 4.527 0.000 0.000 0.317 40 F C -0.986 174.887 175.800 0.121 0.000 1.168 40 F CA -2.273 55.810 58.000 0.139 0.000 0.911 40 F CB 0.328 39.405 39.000 0.127 0.000 1.337 40 F HN -0.402 nan 8.300 nan 0.000 0.464 41 D N 2.295 122.946 120.400 0.418 0.000 2.346 41 D HA 0.351 4.991 4.640 -0.000 0.000 0.260 41 D C -1.889 174.690 176.300 0.465 0.000 1.252 41 D CA -2.131 52.042 54.000 0.288 0.000 0.895 41 D CB 1.317 42.247 40.800 0.216 0.000 1.097 41 D HN 0.289 nan 8.370 nan 0.000 0.489 42 P HA 0.028 nan 4.420 nan 0.000 0.236 42 P C 1.301 178.811 177.300 0.350 0.000 1.177 42 P CA 0.154 63.497 63.100 0.405 0.000 0.773 42 P CB 0.358 32.105 31.700 0.078 0.000 0.878 43 S N 1.126 116.934 115.700 0.180 0.000 2.389 43 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 43 S C -0.471 174.128 174.600 -0.003 0.000 1.052 43 S CA 2.006 60.251 58.200 0.074 0.000 1.053 43 S CB -2.077 61.150 63.200 0.044 0.000 0.886 43 S HN 0.376 nan 8.310 nan 0.000 0.456 44 P HA 0.065 nan 4.420 nan 0.000 0.229 44 P C -0.261 176.749 177.300 -0.484 0.000 1.160 44 P CA 0.723 63.593 63.100 -0.383 0.000 0.777 44 P CB 0.054 31.393 31.700 -0.602 0.000 0.814 45 Y N -1.740 118.604 120.300 0.072 0.000 2.458 45 Y HA 0.406 4.956 4.550 -0.000 0.000 0.322 45 Y C 2.131 178.056 175.900 0.041 0.000 1.259 45 Y CA -0.936 57.203 58.100 0.064 0.000 1.302 45 Y CB 0.588 39.112 38.460 0.107 0.000 1.314 45 Y HN -0.393 nan 8.280 nan 0.000 0.509 46 R N 0.078 120.697 120.500 0.198 0.000 2.062 46 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 46 R C 0.315 176.664 176.300 0.081 0.000 1.128 46 R CA 1.114 57.275 56.100 0.101 0.000 0.960 46 R CB -0.128 30.215 30.300 0.073 0.000 0.855 46 R HN 0.536 nan 8.270 nan 0.000 0.432 47 S N 0.249 116.001 115.700 0.086 0.000 2.422 47 S HA 0.157 4.627 4.470 -0.000 0.000 0.308 47 S C -0.213 174.413 174.600 0.044 0.000 1.097 47 S CA -0.672 57.542 58.200 0.023 0.000 1.099 47 S CB 1.435 64.609 63.200 -0.043 0.000 0.976 47 S HN 0.359 nan 8.310 nan 0.000 0.471 48 Q N 2.923 122.736 119.800 0.021 0.000 2.179 48 Q HA 0.224 4.564 4.340 -0.000 0.000 0.213 48 Q C 0.150 176.109 176.000 -0.069 0.000 0.833 48 Q CA -0.272 55.535 55.803 0.006 0.000 0.990 48 Q CB 0.650 29.410 28.738 0.037 0.000 1.132 48 Q HN 0.637 nan 8.270 nan 0.000 0.493 49 V N -2.584 117.285 119.914 -0.076 0.000 2.732 49 V HA 1.000 5.120 4.120 -0.000 0.000 0.310 49 V C -0.439 175.585 176.094 -0.118 0.000 1.053 49 V CA -0.746 61.493 62.300 -0.100 0.000 0.957 49 V CB 1.553 33.330 31.823 -0.077 0.000 1.018 49 V HN 0.091 nan 8.190 nan 0.000 0.452 50 A N 2.509 125.244 122.820 -0.141 0.000 2.564 50 A HA 0.971 5.291 4.320 -0.000 0.000 0.291 50 A C -0.544 176.963 177.584 -0.129 0.000 1.102 50 A CA -0.449 51.504 52.037 -0.139 0.000 0.660 50 A CB 1.253 20.124 19.000 -0.215 0.000 1.283 50 A HN 2.415 nan 8.150 nan 0.000 0.430 51 A N 0.856 123.622 122.820 -0.090 0.000 2.328 51 A HA 0.653 4.973 4.320 -0.000 0.000 0.318 51 A C -0.440 177.111 177.584 -0.056 0.000 1.347 51 A CA -0.242 51.764 52.037 -0.052 0.000 0.842 51 A CB -0.014 18.990 19.000 0.006 0.000 1.148 51 A HN 0.651 nan 8.150 nan 0.000 0.499 52 E N 1.254 121.396 120.200 -0.097 0.000 2.204 52 E HA 0.593 4.943 4.350 -0.000 0.000 0.276 52 E C -0.036 176.635 176.600 0.118 0.000 0.974 52 E CA -0.560 55.801 56.400 -0.064 0.000 0.815 52 E CB 1.964 31.469 29.700 -0.324 0.000 1.119 52 E HN 0.733 nan 8.360 nan 0.000 0.393 53 A N 2.208 125.192 122.820 0.274 0.000 2.312 53 A HA 0.231 4.551 4.320 -0.000 0.000 0.326 53 A C -0.604 177.158 177.584 0.298 0.000 1.172 53 A CA -0.622 51.573 52.037 0.262 0.000 0.821 53 A CB 0.759 19.931 19.000 0.285 0.000 1.166 53 A HN 0.659 nan 8.150 nan 0.000 0.493 54 D N 1.271 121.794 120.400 0.205 0.000 2.435 54 D HA 0.360 5.000 4.640 -0.000 0.000 0.230 54 D C -1.206 175.217 176.300 0.205 0.000 1.215 54 D CA 0.449 54.564 54.000 0.191 0.000 0.947 54 D CB -0.271 40.597 40.800 0.114 0.000 1.048 54 D HN 0.251 nan 8.370 nan 0.000 0.512 55 F N 2.896 122.882 119.950 0.061 0.000 2.411 55 F HA 0.303 4.830 4.527 0.000 0.000 0.352 55 F C -0.443 175.377 175.800 0.033 0.000 1.123 55 F CA -1.100 56.895 58.000 -0.009 0.000 1.044 55 F CB 1.324 40.329 39.000 0.008 0.000 1.135 55 F HN 0.108 nan 8.300 nan 0.000 0.461 56 D N 8.527 128.678 120.400 -0.415 0.000 2.462 56 D HA 0.343 4.983 4.640 -0.000 0.000 0.249 56 D C -2.090 173.954 176.300 -0.426 0.000 1.117 56 D CA -2.509 51.324 54.000 -0.279 0.000 0.900 56 D CB 1.646 42.348 40.800 -0.164 0.000 1.039 56 D HN 0.197 nan 8.370 nan 0.000 0.516 57 P HA -0.180 nan 4.420 nan 0.000 0.215 57 P C 1.601 178.950 177.300 0.083 0.000 1.157 57 P CA 0.724 63.819 63.100 -0.009 0.000 0.874 57 P CB 0.416 32.203 31.700 0.145 0.000 0.790 58 V N 0.015 119.941 119.914 0.021 0.000 2.343 58 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 58 V C 2.469 178.533 176.094 -0.049 0.000 1.051 58 V CA 2.203 64.511 62.300 0.013 0.000 1.036 58 V CB -1.862 29.964 31.823 0.005 0.000 0.654 58 V HN 0.113 nan 8.190 nan 0.000 0.451 59 A N -0.489 122.275 122.820 -0.094 0.000 1.969 59 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 59 A C 2.109 179.595 177.584 -0.163 0.000 1.169 59 A CA 1.304 53.270 52.037 -0.119 0.000 0.635 59 A CB -0.341 18.583 19.000 -0.127 0.000 0.810 59 A HN 0.522 nan 8.150 nan 0.000 0.445 60 E N -1.097 118.974 120.200 -0.215 0.000 2.478 60 E HA 0.072 4.422 4.350 -0.000 0.000 0.198 60 E C 1.190 177.557 176.600 -0.387 0.000 1.046 60 E CA 0.747 56.979 56.400 -0.280 0.000 0.870 60 E CB -0.233 29.311 29.700 -0.259 0.000 0.818 60 E HN 0.835 nan 8.360 nan 0.000 0.527 61 G N 1.104 109.736 108.800 -0.280 0.000 2.130 61 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 61 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 61 G C -0.096 174.622 174.900 -0.303 0.000 0.999 61 G CA -0.305 44.630 45.100 -0.274 0.000 0.686 61 G HN 0.166 nan 8.290 nan 0.000 0.515 62 F N 1.145 121.084 119.950 -0.017 0.000 2.396 62 F HA 0.564 5.091 4.527 0.000 0.000 0.343 62 F C 1.415 177.219 175.800 0.008 0.000 1.104 62 F CA 0.315 58.323 58.000 0.014 0.000 1.161 62 F CB 1.312 40.338 39.000 0.043 0.000 1.146 62 F HN 0.189 nan 8.300 nan 0.000 0.522 63 G N 2.848 111.764 108.800 0.193 0.000 2.557 63 G HA2 0.331 4.291 3.960 -0.000 0.000 0.292 63 G HA3 0.331 4.291 3.960 -0.000 0.000 0.292 63 G C -2.073 172.896 174.900 0.114 0.000 1.237 63 G CA -1.334 43.832 45.100 0.111 0.000 0.978 63 G HN 0.378 nan 8.290 nan 0.000 0.498 64 P HA -0.131 nan 4.420 nan 0.000 0.214 64 P C 1.979 179.321 177.300 0.071 0.000 1.163 64 P CA 1.293 64.433 63.100 0.067 0.000 0.889 64 P CB 0.121 31.851 31.700 0.051 0.000 0.790 65 R N -0.345 120.196 120.500 0.069 0.000 2.120 65 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 65 R C 2.268 178.607 176.300 0.063 0.000 1.123 65 R CA 1.287 57.430 56.100 0.073 0.000 0.975 65 R CB -0.535 29.804 30.300 0.064 0.000 0.866 65 R HN 0.390 nan 8.270 nan 0.000 0.446 66 E N 0.289 120.542 120.200 0.087 0.000 2.072 66 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 66 E C 1.861 178.467 176.600 0.010 0.000 0.985 66 E CA 0.738 57.193 56.400 0.092 0.000 0.801 66 E CB 0.066 29.905 29.700 0.233 0.000 0.750 66 E HN 0.107 nan 8.360 nan 0.000 0.452 67 L N 1.077 122.319 121.223 0.032 0.000 2.056 67 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 67 L C 2.107 178.968 176.870 -0.015 0.000 1.078 67 L CA 1.756 56.589 54.840 -0.012 0.000 0.749 67 L CB -1.087 40.994 42.059 0.038 0.000 0.901 67 L HN 0.140 nan 8.230 nan 0.000 0.433 68 D N -0.640 119.771 120.400 0.018 0.000 2.218 68 D HA -0.202 4.438 4.640 -0.000 0.000 0.204 68 D C 2.386 178.637 176.300 -0.082 0.000 0.976 68 D CA 0.823 54.851 54.000 0.046 0.000 0.853 68 D CB 0.311 41.182 40.800 0.119 0.000 0.939 68 D HN 0.158 nan 8.370 nan 0.000 0.481 69 R N -0.317 120.043 120.500 -0.233 0.000 2.055 69 R HA 0.099 4.439 4.340 -0.000 0.000 0.221 69 R C 0.824 176.971 176.300 -0.256 0.000 1.154 69 R CA 0.366 56.102 56.100 -0.607 0.000 0.975 69 R CB -0.120 29.999 30.300 -0.301 0.000 0.869 69 R HN 0.216 nan 8.270 nan 0.000 0.437 70 M N 1.368 120.903 119.600 -0.109 0.000 2.250 70 M HA 0.254 4.734 4.480 -0.000 0.000 0.344 70 M C -0.539 175.738 176.300 -0.039 0.000 1.150 70 M CA -0.437 54.838 55.300 -0.041 0.000 1.147 70 M CB 1.047 33.596 32.600 -0.086 0.000 1.498 70 M HN -0.060 nan 8.290 nan 0.000 0.461 71 D N 1.087 121.488 120.400 0.002 0.000 2.357 71 D HA 0.099 4.739 4.640 -0.000 0.000 0.242 71 D C 1.201 177.408 176.300 -0.155 0.000 1.153 71 D CA -0.161 53.773 54.000 -0.111 0.000 0.918 71 D CB 1.006 41.747 40.800 -0.099 0.000 1.181 71 D HN 0.758 nan 8.370 nan 0.000 0.435 72 R N 2.060 122.438 120.500 -0.204 0.000 2.103 72 R HA -0.233 4.107 4.340 -0.000 0.000 0.242 72 R C 1.836 177.925 176.300 -0.352 0.000 1.142 72 R CA 1.775 57.725 56.100 -0.249 0.000 0.960 72 R CB -0.500 29.614 30.300 -0.311 0.000 0.858 72 R HN 0.568 nan 8.270 nan 0.000 0.439 73 A N -0.095 122.508 122.820 -0.363 0.000 1.972 73 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 73 A C 2.169 179.657 177.584 -0.158 0.000 1.169 73 A CA 1.893 53.720 52.037 -0.349 0.000 0.635 73 A CB -0.414 18.430 19.000 -0.258 0.000 0.810 73 A HN 0.449 nan 8.150 nan 0.000 0.446 74 S N -0.346 115.284 115.700 -0.116 0.000 2.383 74 S HA -0.180 4.290 4.470 -0.000 0.000 0.227 74 S C 2.064 176.645 174.600 -0.033 0.000 1.026 74 S CA 1.444 59.609 58.200 -0.058 0.000 0.981 74 S CB -0.289 62.880 63.200 -0.052 0.000 0.818 74 S HN 0.728 nan 8.310 nan 0.000 0.472 75 Q N -0.070 119.665 119.800 -0.109 0.000 2.084 75 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 75 Q C 1.737 177.886 176.000 0.248 0.000 0.978 75 Q CA 1.358 57.077 55.803 -0.140 0.000 0.844 75 Q CB -0.312 28.339 28.738 -0.144 0.000 0.898 75 Q HN 0.435 nan 8.270 nan 0.000 0.426 76 F N 0.613 120.406 119.950 -0.262 0.000 2.134 76 F HA -0.189 4.338 4.527 0.000 0.000 0.299 76 F C 2.378 178.155 175.800 -0.038 0.000 1.097 76 F CA 1.084 58.920 58.000 -0.274 0.000 1.264 76 F CB -0.906 37.868 39.000 -0.377 0.000 1.001 76 F HN 0.065 nan 8.300 nan 0.000 0.479 77 A N -0.248 122.672 122.820 0.166 0.000 1.858 77 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 77 A C 2.432 180.095 177.584 0.132 0.000 1.190 77 A CA 2.019 54.117 52.037 0.102 0.000 0.617 77 A CB -1.268 17.759 19.000 0.044 0.000 0.827 77 A HN 0.160 nan 8.150 nan 0.000 0.443 78 V N -0.062 119.971 119.914 0.198 0.000 2.343 78 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 78 V C 3.076 179.318 176.094 0.247 0.000 1.051 78 V CA 1.981 64.428 62.300 0.245 0.000 1.036 78 V CB -1.284 30.784 31.823 0.407 0.000 0.654 78 V HN 0.634 nan 8.190 nan 0.000 0.451 79 A N -0.956 122.079 122.820 0.359 0.000 1.883 79 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 79 A C 2.360 180.015 177.584 0.118 0.000 1.186 79 A CA 2.436 54.619 52.037 0.243 0.000 0.624 79 A CB -1.166 18.070 19.000 0.394 0.000 0.822 79 A HN 0.605 nan 8.150 nan 0.000 0.444 80 C N -1.225 118.133 119.300 0.097 0.000 2.446 80 C HA 0.130 4.590 4.460 -0.000 0.000 0.277 80 C C 3.330 178.345 174.990 0.041 0.000 1.275 80 C CA 0.567 59.596 59.018 0.019 0.000 1.727 80 C CB -1.368 26.348 27.740 -0.041 0.000 2.010 80 C HN 0.712 nan 8.230 nan 0.000 0.486 81 A N 0.777 123.645 122.820 0.080 0.000 1.883 81 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 81 A C 2.220 179.913 177.584 0.180 0.000 1.186 81 A CA 1.671 53.788 52.037 0.133 0.000 0.624 81 A CB -0.553 18.485 19.000 0.062 0.000 0.822 81 A HN 0.661 nan 8.150 nan 0.000 0.444 82 R N -0.882 119.689 120.500 0.119 0.000 2.073 82 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 82 R C 2.355 178.733 176.300 0.130 0.000 1.134 82 R CA 1.585 57.751 56.100 0.109 0.000 0.952 82 R CB -0.317 29.987 30.300 0.006 0.000 0.850 82 R HN 0.793 nan 8.270 nan 0.000 0.433 83 E N 0.394 120.644 120.200 0.082 0.000 2.085 83 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 83 E C 1.831 178.491 176.600 0.100 0.000 0.994 83 E CA 1.326 57.764 56.400 0.063 0.000 0.801 83 E CB -0.027 29.686 29.700 0.022 0.000 0.743 83 E HN 0.393 nan 8.360 nan 0.000 0.453 84 A N 0.184 123.073 122.820 0.116 0.000 1.968 84 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 84 A C 1.905 179.641 177.584 0.254 0.000 1.169 84 A CA 0.811 52.918 52.037 0.116 0.000 0.638 84 A CB -0.641 18.396 19.000 0.061 0.000 0.812 84 A HN 0.437 nan 8.150 nan 0.000 0.446 85 F N 1.031 121.109 119.950 0.215 0.000 2.051 85 F HA -0.053 4.474 4.527 -0.000 0.000 0.296 85 F C 2.649 178.534 175.800 0.141 0.000 1.122 85 F CA 0.820 58.987 58.000 0.280 0.000 1.201 85 F CB -0.950 38.189 39.000 0.231 0.000 0.978 85 F HN 0.254 nan 8.300 nan 0.000 0.472 86 A N 0.213 123.239 122.820 0.344 0.000 1.917 86 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 86 A C 2.424 180.108 177.584 0.168 0.000 1.182 86 A CA 2.296 54.437 52.037 0.174 0.000 0.633 86 A CB -1.582 17.461 19.000 0.071 0.000 0.819 86 A HN 0.483 nan 8.150 nan 0.000 0.448 87 A N 0.162 123.076 122.820 0.156 0.000 1.930 87 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 87 A C 2.472 180.148 177.584 0.154 0.000 1.175 87 A CA 2.205 54.321 52.037 0.132 0.000 0.627 87 A CB -0.961 18.098 19.000 0.098 0.000 0.815 87 A HN 1.097 nan 8.150 nan 0.000 0.443 88 S N -1.253 114.545 115.700 0.164 0.000 2.419 88 S HA 0.208 4.678 4.470 -0.000 0.000 0.233 88 S C 1.652 176.338 174.600 0.142 0.000 1.016 88 S CA 1.423 59.706 58.200 0.139 0.000 0.974 88 S CB -0.816 62.428 63.200 0.074 0.000 0.786 88 S HN 2.016 nan 8.310 nan 0.000 0.492 89 G N 0.314 109.218 108.800 0.172 0.000 2.155 89 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.257 89 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.257 89 G C -0.140 174.855 174.900 0.158 0.000 0.983 89 G CA 0.274 45.459 45.100 0.143 0.000 0.676 89 G HN 0.623 nan 8.290 nan 0.000 0.528 90 L N 1.235 122.590 121.223 0.220 0.000 2.453 90 L HA 0.472 4.812 4.340 -0.000 0.000 0.272 90 L C 0.340 177.395 176.870 0.308 0.000 1.182 90 L CA -0.360 54.613 54.840 0.221 0.000 0.858 90 L CB 1.002 43.158 42.059 0.161 0.000 1.120 90 L HN 0.190 nan 8.230 nan 0.000 0.474 91 D N 6.180 126.705 120.400 0.208 0.000 2.380 91 D HA 0.220 4.860 4.640 -0.000 0.000 0.230 91 D C -1.819 174.607 176.300 0.210 0.000 1.154 91 D CA -2.025 52.079 54.000 0.172 0.000 0.859 91 D CB 1.531 42.392 40.800 0.102 0.000 1.045 91 D HN 0.318 nan 8.370 nan 0.000 0.495 92 P HA -0.112 nan 4.420 nan 0.000 0.218 92 P C 0.445 177.828 177.300 0.139 0.000 1.146 92 P CA 0.883 64.121 63.100 0.229 0.000 0.813 92 P CB 0.409 32.141 31.700 0.052 0.000 0.778 93 D N -2.048 118.407 120.400 0.091 0.000 2.277 93 D HA -0.069 4.571 4.640 -0.000 0.000 0.208 93 D C 1.746 178.086 176.300 0.068 0.000 0.962 93 D CA 1.387 55.426 54.000 0.065 0.000 0.865 93 D CB -0.719 40.106 40.800 0.042 0.000 0.939 93 D HN 0.281 nan 8.370 nan 0.000 0.510 94 T N -2.231 112.372 114.554 0.081 0.000 3.081 94 T HA 0.181 4.531 4.350 -0.000 0.000 0.250 94 T C 0.967 175.712 174.700 0.075 0.000 1.100 94 T CA -0.230 61.910 62.100 0.067 0.000 1.038 94 T CB 0.055 68.960 68.868 0.060 0.000 0.962 94 T HN -0.041 nan 8.240 nan 0.000 0.516 95 L N 2.300 123.585 121.223 0.103 0.000 2.397 95 L HA 0.424 4.764 4.340 -0.000 0.000 0.271 95 L C -0.063 176.860 176.870 0.089 0.000 1.148 95 L CA -0.565 54.338 54.840 0.106 0.000 0.825 95 L CB 0.742 42.897 42.059 0.161 0.000 1.117 95 L HN 0.151 nan 8.230 nan 0.000 0.456 96 D N 4.218 124.662 120.400 0.073 0.000 2.454 96 D HA 0.255 4.895 4.640 -0.000 0.000 0.225 96 D C -1.769 174.574 176.300 0.072 0.000 1.081 96 D CA -2.203 51.835 54.000 0.063 0.000 0.864 96 D CB 1.691 42.519 40.800 0.047 0.000 1.040 96 D HN 0.100 nan 8.370 nan 0.000 0.517 97 P HA -0.223 nan 4.420 nan 0.000 0.218 97 P C 1.026 178.370 177.300 0.074 0.000 1.154 97 P CA 1.817 64.969 63.100 0.088 0.000 0.872 97 P CB 0.205 31.956 31.700 0.085 0.000 0.790 98 A N -0.959 121.896 122.820 0.060 0.000 2.125 98 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 98 A C 1.841 179.453 177.584 0.045 0.000 1.156 98 A CA 1.344 53.410 52.037 0.050 0.000 0.671 98 A CB -0.572 18.452 19.000 0.041 0.000 0.794 98 A HN 0.054 nan 8.150 nan 0.000 0.459 99 R N -0.864 119.664 120.500 0.048 0.000 2.432 99 R HA 0.259 4.599 4.340 -0.000 0.000 0.260 99 R C -0.628 175.699 176.300 0.045 0.000 0.935 99 R CA 0.130 56.253 56.100 0.038 0.000 1.080 99 R CB -0.015 30.303 30.300 0.031 0.000 1.155 99 R HN 0.274 nan 8.270 nan 0.000 0.531 100 V N 0.565 120.520 119.914 0.068 0.000 2.384 100 V HA 0.655 4.775 4.120 -0.000 0.000 0.287 100 V C 0.554 176.710 176.094 0.103 0.000 1.020 100 V CA -0.768 61.592 62.300 0.100 0.000 0.850 100 V CB 1.605 33.522 31.823 0.156 0.000 0.987 100 V HN 0.269 nan 8.190 nan 0.000 0.436 101 G N 3.178 112.037 108.800 0.099 0.000 2.788 101 G HA2 0.757 4.717 3.960 -0.000 0.000 0.293 101 G HA3 0.757 4.717 3.960 -0.000 0.000 0.293 101 G C -1.488 173.483 174.900 0.120 0.000 1.305 101 G CA -0.685 44.464 45.100 0.082 0.000 1.005 101 G HN 0.533 nan 8.290 nan 0.000 0.496 102 V N -0.326 119.632 119.914 0.073 0.000 2.789 102 V HA 0.709 4.829 4.120 -0.000 0.000 0.311 102 V C -0.425 175.686 176.094 0.030 0.000 1.073 102 V CA -0.740 61.606 62.300 0.076 0.000 0.921 102 V CB 2.041 33.884 31.823 0.034 0.000 1.009 102 V HN 0.779 nan 8.190 nan 0.000 0.426 103 S N 4.989 120.708 115.700 0.031 0.000 2.652 103 S HA 0.512 4.982 4.470 -0.000 0.000 0.252 103 S C -1.266 173.337 174.600 0.005 0.000 1.219 103 S CA -0.396 57.804 58.200 0.000 0.000 1.151 103 S CB 0.447 63.636 63.200 -0.018 0.000 1.080 103 S HN 0.598 nan 8.310 nan 0.000 0.481 104 L N 4.806 126.024 121.223 -0.008 0.000 2.307 104 L HA 0.781 5.121 4.340 -0.000 0.000 0.284 104 L C 0.394 177.249 176.870 -0.024 0.000 1.023 104 L CA -0.008 54.826 54.840 -0.009 0.000 0.810 104 L CB 0.901 42.948 42.059 -0.019 0.000 1.231 104 L HN 0.777 nan 8.230 nan 0.000 0.423 105 G N 2.372 111.160 108.800 -0.019 0.000 2.371 105 G HA2 0.528 4.488 3.960 -0.000 0.000 0.326 105 G HA3 0.528 4.488 3.960 -0.000 0.000 0.326 105 G C -1.078 173.800 174.900 -0.037 0.000 1.127 105 G CA -0.289 44.791 45.100 -0.034 0.000 0.885 105 G HN 0.611 nan 8.290 nan 0.000 0.477 106 S N -0.326 115.344 115.700 -0.049 0.000 2.563 106 S HA 0.544 5.014 4.470 -0.000 0.000 0.279 106 S C 0.693 175.261 174.600 -0.053 0.000 1.155 106 S CA 0.297 58.465 58.200 -0.052 0.000 0.928 106 S CB 1.386 64.552 63.200 -0.057 0.000 1.107 106 S HN 1.226 nan 8.310 nan 0.000 0.462 107 A N 2.870 125.659 122.820 -0.053 0.000 1.878 107 A HA 0.209 4.529 4.320 -0.000 0.000 0.213 107 A C 1.431 178.998 177.584 -0.029 0.000 1.192 107 A CA 1.589 53.601 52.037 -0.043 0.000 0.619 107 A CB -0.469 18.499 19.000 -0.054 0.000 0.837 107 A HN 1.588 nan 8.150 nan 0.000 0.446 108 V N -5.150 114.742 119.914 -0.038 0.000 3.346 108 V HA 0.617 4.737 4.120 -0.000 0.000 0.309 108 V C 1.254 177.317 176.094 -0.052 0.000 1.457 108 V CA 0.257 62.535 62.300 -0.037 0.000 1.069 108 V CB -1.075 30.732 31.823 -0.028 0.000 0.944 108 V HN 1.396 nan 8.190 nan 0.000 0.449 109 A N 1.946 124.730 122.820 -0.059 0.000 5.191 109 A HA -0.382 3.938 4.320 -0.000 0.000 0.358 109 A C 1.858 179.396 177.584 -0.077 0.000 1.605 109 A CA 3.287 55.285 52.037 -0.065 0.000 0.695 109 A CB -2.005 16.967 19.000 -0.047 0.000 1.519 109 A HN 2.127 nan 8.150 nan 0.000 0.415 110 A N -0.639 122.149 122.820 -0.054 0.000 2.411 110 A HA 0.624 4.944 4.320 -0.000 0.000 0.251 110 A C 2.029 179.548 177.584 -0.107 0.000 1.317 110 A CA 1.096 53.089 52.037 -0.073 0.000 0.904 110 A CB -1.198 17.817 19.000 0.026 0.000 0.993 110 A HN 2.205 nan 8.150 nan 0.000 0.504 111 A N -0.234 122.532 122.820 -0.090 0.000 1.971 111 A HA -0.200 4.120 4.320 -0.000 0.000 0.222 111 A C 2.245 179.764 177.584 -0.108 0.000 1.182 111 A CA 2.667 54.652 52.037 -0.087 0.000 0.649 111 A CB -1.025 17.933 19.000 -0.070 0.000 0.818 111 A HN 0.424 nan 8.150 nan 0.000 0.458 112 T N -0.516 113.961 114.554 -0.129 0.000 2.737 112 T HA -0.084 4.266 4.350 -0.000 0.000 0.265 112 T C 2.269 176.852 174.700 -0.195 0.000 1.038 112 T CA 1.672 63.690 62.100 -0.136 0.000 1.144 112 T CB -0.278 68.504 68.868 -0.143 0.000 0.866 112 T HN 0.507 nan 8.240 nan 0.000 0.434 113 S N 1.103 116.611 115.700 -0.320 0.000 2.387 113 S HA 0.099 4.569 4.470 -0.000 0.000 0.226 113 S C 2.038 176.423 174.600 -0.358 0.000 1.026 113 S CA 0.602 58.487 58.200 -0.525 0.000 0.972 113 S CB -0.410 62.041 63.200 -1.248 0.000 0.814 113 S HN 0.320 nan 8.310 nan 0.000 0.477 114 L N 1.148 122.242 121.223 -0.215 0.000 2.012 114 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 114 L C 2.667 179.537 176.870 -0.000 0.000 1.073 114 L CA 1.644 56.456 54.840 -0.046 0.000 0.748 114 L CB -0.491 41.550 42.059 -0.029 0.000 0.891 114 L HN 0.334 nan 8.230 nan 0.000 0.431 115 E N 0.131 120.308 120.200 -0.038 0.000 2.077 115 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 115 E C 2.314 178.934 176.600 0.032 0.000 0.989 115 E CA 1.274 57.678 56.400 0.007 0.000 0.800 115 E CB 0.018 29.685 29.700 -0.056 0.000 0.746 115 E HN 0.230 nan 8.360 nan 0.000 0.452 116 R N 0.216 120.698 120.500 -0.031 0.000 2.073 116 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 116 R C 1.958 178.262 176.300 0.007 0.000 1.134 116 R CA 1.709 57.793 56.100 -0.026 0.000 0.952 116 R CB -0.027 30.234 30.300 -0.064 0.000 0.850 116 R HN 0.111 nan 8.270 nan 0.000 0.433 117 E N -0.124 120.092 120.200 0.027 0.000 2.106 117 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 117 E C 1.659 178.297 176.600 0.063 0.000 0.984 117 E CA 0.886 57.334 56.400 0.079 0.000 0.806 117 E CB -0.549 29.243 29.700 0.155 0.000 0.750 117 E HN 0.441 nan 8.360 nan 0.000 0.458 118 Y N 1.549 121.842 120.300 -0.012 0.000 2.151 118 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 118 Y C 2.005 177.881 175.900 -0.040 0.000 1.166 118 Y CA 1.203 59.288 58.100 -0.024 0.000 1.163 118 Y CB -0.331 38.110 38.460 -0.033 0.000 0.974 118 Y HN -0.036 nan 8.280 nan 0.000 0.511 119 L N -0.036 121.075 121.223 -0.187 0.000 2.042 119 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 119 L C 2.457 179.129 176.870 -0.330 0.000 1.076 119 L CA 1.642 56.320 54.840 -0.270 0.000 0.749 119 L CB -1.323 40.672 42.059 -0.107 0.000 0.893 119 L HN 0.342 nan 8.230 nan 0.000 0.432 120 L N -1.802 119.283 121.223 -0.231 0.000 2.027 120 L HA -0.207 4.133 4.340 -0.000 0.000 0.206 120 L C 2.447 179.138 176.870 -0.297 0.000 1.074 120 L CA 0.984 55.661 54.840 -0.271 0.000 0.745 120 L CB -0.516 41.544 42.059 0.002 0.000 0.898 120 L HN 0.221 nan 8.230 nan 0.000 0.433 121 L N -0.328 120.800 121.223 -0.158 0.000 2.093 121 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 121 L C 2.602 179.338 176.870 -0.222 0.000 1.085 121 L CA 1.581 56.362 54.840 -0.098 0.000 0.755 121 L CB -0.363 41.668 42.059 -0.047 0.000 0.904 121 L HN 0.360 nan 8.230 nan 0.000 0.435 122 S N -2.576 112.862 115.700 -0.436 0.000 2.556 122 S HA -0.000 4.470 4.470 -0.000 0.000 0.216 122 S C 0.589 174.991 174.600 -0.331 0.000 0.970 122 S CA 0.129 58.079 58.200 -0.417 0.000 0.912 122 S CB 0.051 62.791 63.200 -0.766 0.000 0.790 122 S HN 0.449 nan 8.310 nan 0.000 0.504 123 D N 1.306 121.479 120.400 -0.378 0.000 2.760 123 D HA -0.175 4.465 4.640 -0.000 0.000 0.244 123 D C -0.222 175.930 176.300 -0.246 0.000 1.123 123 D CA 0.791 54.595 54.000 -0.327 0.000 0.719 123 D CB -2.132 38.524 40.800 -0.239 0.000 1.045 123 D HN 0.436 nan 8.370 nan 0.000 0.426 124 S N -0.714 114.821 115.700 -0.274 0.000 3.631 124 S HA -0.033 4.437 4.470 -0.000 0.000 0.366 124 S C 1.491 176.045 174.600 -0.076 0.000 0.993 124 S CA 1.537 59.641 58.200 -0.161 0.000 1.167 124 S CB -1.652 61.483 63.200 -0.108 0.000 0.909 124 S HN 1.855 nan 8.310 nan 0.000 0.478 125 G N 0.222 108.953 108.800 -0.115 0.000 2.184 125 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.264 125 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.264 125 G C 0.774 175.719 174.900 0.075 0.000 0.975 125 G CA 0.745 45.909 45.100 0.108 0.000 0.642 125 G HN 0.644 nan 8.290 nan 0.000 0.536 126 R N 0.130 120.625 120.500 -0.008 0.000 2.090 126 R HA 0.077 4.417 4.340 -0.000 0.000 0.228 126 R C -0.015 176.313 176.300 0.046 0.000 1.110 126 R CA 1.307 57.413 56.100 0.010 0.000 0.973 126 R CB -0.010 30.273 30.300 -0.028 0.000 0.869 126 R HN 0.413 nan 8.270 nan 0.000 0.440 127 D N -1.084 119.336 120.400 0.034 0.000 2.375 127 D HA -0.008 4.632 4.640 -0.000 0.000 0.247 127 D C -0.151 176.253 176.300 0.173 0.000 1.061 127 D CA -0.429 53.622 54.000 0.086 0.000 0.834 127 D CB 1.521 42.337 40.800 0.027 0.000 1.247 127 D HN 0.156 nan 8.370 nan 0.000 0.489 128 W N 2.814 124.136 121.300 0.037 0.000 2.481 128 W HA -0.028 4.632 4.660 -0.000 0.000 0.293 128 W C -0.122 176.430 176.519 0.054 0.000 1.201 128 W CA 0.372 57.754 57.345 0.061 0.000 1.328 128 W CB 0.533 30.020 29.460 0.045 0.000 1.112 128 W HN 0.316 nan 8.180 nan 0.000 0.546 129 E N 2.916 123.155 120.200 0.065 0.000 1.865 129 E HA 0.093 4.443 4.350 -0.000 0.000 0.269 129 E C 0.493 177.063 176.600 -0.050 0.000 1.177 129 E CA -0.344 56.019 56.400 -0.063 0.000 0.932 129 E CB 0.722 30.451 29.700 0.049 0.000 1.066 129 E HN -0.042 nan 8.360 nan 0.000 0.405 130 V N 0.100 119.947 119.914 -0.111 0.000 3.178 130 V HA -0.007 4.113 4.120 -0.000 0.000 0.306 130 V C 0.426 176.515 176.094 -0.007 0.000 1.107 130 V CA -0.361 61.900 62.300 -0.064 0.000 1.195 130 V CB 0.815 32.590 31.823 -0.080 0.000 0.993 130 V HN 0.427 nan 8.190 nan 0.000 0.493 131 D N 2.061 122.485 120.400 0.041 0.000 2.396 131 D HA 0.553 5.193 4.640 -0.000 0.000 0.225 131 D C 0.844 177.227 176.300 0.137 0.000 1.121 131 D CA 0.152 54.221 54.000 0.115 0.000 0.853 131 D CB 1.349 42.278 40.800 0.215 0.000 1.043 131 D HN 0.875 nan 8.370 nan 0.000 0.500 132 A N 3.707 126.567 122.820 0.066 0.000 2.131 132 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 132 A C 1.994 179.580 177.584 0.002 0.000 1.158 132 A CA 1.549 53.607 52.037 0.035 0.000 0.665 132 A CB -0.312 18.691 19.000 0.006 0.000 0.795 132 A HN 0.618 nan 8.150 nan 0.000 0.460 133 A N -1.833 120.977 122.820 -0.017 0.000 2.121 133 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 133 A C 1.412 178.754 177.584 -0.403 0.000 1.154 133 A CA 0.899 52.813 52.037 -0.205 0.000 0.679 133 A CB -0.621 18.231 19.000 -0.246 0.000 0.795 133 A HN 0.744 nan 8.150 nan 0.000 0.458 134 W N -0.660 120.625 121.300 -0.025 0.000 3.102 134 W HA 0.422 5.082 4.660 -0.000 0.000 0.401 134 W C 0.204 176.715 176.519 -0.014 0.000 1.070 134 W CA -0.596 56.736 57.345 -0.022 0.000 1.921 134 W CB 0.090 29.529 29.460 -0.035 0.000 1.118 134 W HN 0.021 nan 8.180 nan 0.000 0.647 135 L N 2.540 123.819 121.223 0.093 0.000 2.500 135 L HA 0.106 4.446 4.340 -0.000 0.000 0.272 135 L C 1.069 177.967 176.870 0.047 0.000 1.149 135 L CA 0.253 55.134 54.840 0.069 0.000 0.897 135 L CB 0.568 42.642 42.059 0.025 0.000 1.178 135 L HN -0.146 nan 8.230 nan 0.000 0.473 136 S N 4.824 120.577 115.700 0.088 0.000 2.562 136 S HA 0.059 4.529 4.470 -0.000 0.000 0.281 136 S C 1.472 176.048 174.600 -0.040 0.000 1.333 136 S CA -0.414 57.828 58.200 0.070 0.000 1.052 136 S CB 0.705 64.025 63.200 0.201 0.000 0.884 136 S HN 0.807 nan 8.310 nan 0.000 0.506 137 R N 3.040 123.431 120.500 -0.183 0.000 2.280 137 R HA 0.004 4.344 4.340 -0.000 0.000 0.207 137 R C 0.415 176.487 176.300 -0.380 0.000 1.043 137 R CA 1.125 57.047 56.100 -0.297 0.000 1.006 137 R CB -0.467 29.600 30.300 -0.388 0.000 0.885 137 R HN 0.728 nan 8.270 nan 0.000 0.467 138 H N -0.502 118.539 119.070 -0.049 0.000 2.586 138 H HA 0.201 4.757 4.556 0.000 0.000 0.273 138 H C 1.506 176.568 175.328 -0.444 0.000 0.997 138 H CA -0.241 55.669 56.048 -0.229 0.000 1.177 138 H CB 0.406 29.997 29.762 -0.285 0.000 1.471 138 H HN 0.058 nan 8.280 nan 0.000 0.538 139 M N 0.468 120.016 119.600 -0.087 0.000 2.089 139 M HA -0.211 4.269 4.480 -0.000 0.000 0.257 139 M C 2.050 178.320 176.300 -0.051 0.000 1.071 139 M CA 1.314 56.608 55.300 -0.011 0.000 1.096 139 M CB -1.215 31.436 32.600 0.085 0.000 1.330 139 M HN 0.222 nan 8.290 nan 0.000 0.403 140 F N 1.376 121.256 119.950 -0.117 0.000 2.154 140 F HA -0.255 4.272 4.527 -0.000 0.000 0.301 140 F C 1.754 177.491 175.800 -0.106 0.000 1.087 140 F CA 1.777 59.729 58.000 -0.080 0.000 1.274 140 F CB -0.300 38.665 39.000 -0.058 0.000 1.009 140 F HN 0.244 nan 8.300 nan 0.000 0.485 141 D N -1.356 118.982 120.400 -0.103 0.000 2.371 141 D HA -0.132 4.508 4.640 -0.000 0.000 0.221 141 D C 1.559 177.743 176.300 -0.194 0.000 0.986 141 D CA 1.002 54.899 54.000 -0.171 0.000 0.899 141 D CB -0.265 40.453 40.800 -0.137 0.000 0.902 141 D HN 0.474 nan 8.370 nan 0.000 0.530 142 Y N -0.343 119.935 120.300 -0.036 0.000 2.522 142 Y HA 0.050 4.600 4.550 -0.000 0.000 0.277 142 Y C 2.121 177.952 175.900 -0.115 0.000 1.104 142 Y CA -0.498 57.568 58.100 -0.056 0.000 1.260 142 Y CB 0.235 38.686 38.460 -0.015 0.000 1.151 142 Y HN -0.110 nan 8.280 nan 0.000 0.539 143 L N 0.102 121.277 121.223 -0.081 0.000 2.027 143 L HA 0.015 4.355 4.340 -0.000 0.000 0.206 143 L C 0.464 177.172 176.870 -0.270 0.000 1.074 143 L CA 1.476 56.204 54.840 -0.187 0.000 0.745 143 L CB -0.070 41.817 42.059 -0.287 0.000 0.898 143 L HN -0.129 nan 8.230 nan 0.000 0.433 144 V N 1.321 120.978 119.914 -0.427 0.000 2.304 144 V HA 0.290 4.410 4.120 -0.000 0.000 0.278 144 V C -1.633 174.358 176.094 -0.171 0.000 1.018 144 V CA -0.984 61.119 62.300 -0.328 0.000 0.814 144 V CB 0.779 32.309 31.823 -0.488 0.000 1.021 144 V HN 0.154 nan 8.190 nan 0.000 0.440 145 P HA -0.080 nan 4.420 nan 0.000 0.229 145 P C 1.549 178.820 177.300 -0.048 0.000 1.150 145 P CA 0.812 63.883 63.100 -0.048 0.000 0.765 145 P CB 0.140 31.814 31.700 -0.042 0.000 0.783 146 S N -0.624 115.048 115.700 -0.047 0.000 2.461 146 S HA -0.150 4.320 4.470 -0.000 0.000 0.246 146 S C 1.848 176.405 174.600 -0.072 0.000 1.007 146 S CA 0.999 59.173 58.200 -0.044 0.000 0.976 146 S CB -1.215 61.979 63.200 -0.009 0.000 0.763 146 S HN 0.128 nan 8.310 nan 0.000 0.508 147 V N 1.435 121.315 119.914 -0.057 0.000 2.759 147 V HA -0.117 4.003 4.120 -0.000 0.000 0.256 147 V C 1.760 177.760 176.094 -0.157 0.000 1.080 147 V CA 1.329 63.571 62.300 -0.097 0.000 1.101 147 V CB -0.483 31.333 31.823 -0.012 0.000 0.698 147 V HN 0.509 nan 8.190 nan 0.000 0.477 148 M N 0.234 119.771 119.600 -0.106 0.000 2.059 148 M HA -0.081 4.399 4.480 -0.000 0.000 0.259 148 M C 0.034 176.248 176.300 -0.144 0.000 1.072 148 M CA 2.480 57.719 55.300 -0.101 0.000 1.117 148 M CB -1.551 31.008 32.600 -0.068 0.000 1.320 148 M HN 0.265 nan 8.290 nan 0.000 0.408 149 P HA -0.098 nan 4.420 nan 0.000 0.216 149 P C 1.046 178.181 177.300 -0.274 0.000 1.150 149 P CA 1.833 64.843 63.100 -0.150 0.000 0.837 149 P CB -0.198 31.435 31.700 -0.112 0.000 0.786 150 A N -0.111 122.461 122.820 -0.413 0.000 1.883 150 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 150 A C 2.330 179.218 177.584 -1.161 0.000 1.186 150 A CA 2.027 53.562 52.037 -0.837 0.000 0.624 150 A CB -1.406 17.034 19.000 -0.933 0.000 0.822 150 A HN 0.101 nan 8.150 nan 0.000 0.444 151 E N -0.393 119.376 120.200 -0.717 0.000 2.110 151 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 151 E C 1.880 178.426 176.600 -0.090 0.000 0.988 151 E CA 1.338 57.573 56.400 -0.275 0.000 0.804 151 E CB -0.295 29.372 29.700 -0.055 0.000 0.745 151 E HN 0.287 nan 8.360 nan 0.000 0.458 152 V N 0.306 120.139 119.914 -0.136 0.000 2.323 152 V HA -0.215 3.905 4.120 -0.000 0.000 0.244 152 V C 2.274 178.305 176.094 -0.104 0.000 1.041 152 V CA 1.654 63.912 62.300 -0.069 0.000 1.025 152 V CB -0.840 30.951 31.823 -0.055 0.000 0.656 152 V HN 0.418 nan 8.190 nan 0.000 0.451 153 A N -0.427 122.288 122.820 -0.174 0.000 1.917 153 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 153 A C 1.977 179.578 177.584 0.029 0.000 1.182 153 A CA 2.105 54.069 52.037 -0.121 0.000 0.633 153 A CB -0.727 18.164 19.000 -0.182 0.000 0.819 153 A HN 0.675 nan 8.150 nan 0.000 0.448 154 W N -0.616 120.684 121.300 -0.001 0.000 2.388 154 W HA 0.041 4.701 4.660 -0.000 0.000 0.294 154 W C 2.750 179.264 176.519 -0.008 0.000 1.212 154 W CA 0.626 57.974 57.345 0.005 0.000 1.271 154 W CB -1.244 28.227 29.460 0.019 0.000 1.126 154 W HN 0.463 nan 8.180 nan 0.000 0.535 155 A N 0.446 123.384 122.820 0.196 0.000 1.930 155 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 155 A C 2.011 179.607 177.584 0.019 0.000 1.175 155 A CA 2.404 54.497 52.037 0.093 0.000 0.627 155 A CB -0.954 18.093 19.000 0.078 0.000 0.815 155 A HN 0.150 nan 8.150 nan 0.000 0.443 156 V N -3.847 116.033 119.914 -0.057 0.000 3.647 156 V HA 0.510 4.630 4.120 -0.000 0.000 0.279 156 V C 1.211 177.355 176.094 0.084 0.000 1.314 156 V CA 0.700 62.950 62.300 -0.082 0.000 1.125 156 V CB -0.815 30.435 31.823 -0.956 0.000 0.907 156 V HN 1.558 nan 8.190 nan 0.000 0.434 157 G N 0.443 109.294 108.800 0.084 0.000 2.225 157 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.264 157 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.264 157 G C 0.192 175.162 174.900 0.116 0.000 1.060 157 G CA 0.239 45.413 45.100 0.124 0.000 0.833 157 G HN 1.716 nan 8.290 nan 0.000 0.498 158 A N -0.585 122.285 122.820 0.085 0.000 2.328 158 A HA 0.766 5.086 4.320 -0.000 0.000 0.284 158 A C 0.778 178.417 177.584 0.091 0.000 1.160 158 A CA 0.212 52.303 52.037 0.090 0.000 0.818 158 A CB 0.586 19.629 19.000 0.073 0.000 1.087 158 A HN 0.474 nan 8.150 nan 0.000 0.504 159 E N 1.868 122.119 120.200 0.086 0.000 2.641 159 E HA 0.158 4.508 4.350 -0.000 0.000 0.224 159 E C 1.106 177.742 176.600 0.061 0.000 0.951 159 E CA 0.145 56.592 56.400 0.079 0.000 1.102 159 E CB 0.937 30.685 29.700 0.080 0.000 1.091 159 E HN 0.830 nan 8.360 nan 0.000 0.507 160 G N 2.015 110.850 108.800 0.058 0.000 2.624 160 G HA2 0.201 4.161 3.960 -0.000 0.000 0.217 160 G HA3 0.201 4.161 3.960 -0.000 0.000 0.217 160 G C -2.367 172.555 174.900 0.036 0.000 1.506 160 G CA -0.781 44.346 45.100 0.045 0.000 1.072 160 G HN -0.113 nan 8.290 nan 0.000 0.568 161 P HA 0.348 nan 4.420 nan 0.000 0.271 161 P C -0.823 176.486 177.300 0.016 0.000 1.233 161 P CA -0.016 63.095 63.100 0.019 0.000 0.764 161 P CB 1.229 32.938 31.700 0.015 0.000 0.825 162 V N 3.888 123.805 119.914 0.006 0.000 2.588 162 V HA 0.711 4.831 4.120 -0.000 0.000 0.304 162 V C 0.144 176.225 176.094 -0.021 0.000 1.042 162 V CA -0.128 62.166 62.300 -0.011 0.000 0.877 162 V CB 2.064 33.867 31.823 -0.032 0.000 0.996 162 V HN 0.563 nan 8.190 nan 0.000 0.425 163 T N 4.528 119.066 114.554 -0.025 0.000 2.749 163 T HA 0.541 4.891 4.350 -0.000 0.000 0.310 163 T C -1.593 173.086 174.700 -0.034 0.000 1.496 163 T CA -0.517 61.566 62.100 -0.028 0.000 1.006 163 T CB 1.741 70.600 68.868 -0.016 0.000 1.457 163 T HN 0.688 nan 8.240 nan 0.000 0.497 164 M N 3.178 122.757 119.600 -0.035 0.000 2.294 164 M HA 0.734 5.214 4.480 -0.000 0.000 0.335 164 M C -1.704 174.574 176.300 -0.037 0.000 1.079 164 M CA -0.626 54.650 55.300 -0.039 0.000 0.982 164 M CB 1.373 33.947 32.600 -0.044 0.000 1.651 164 M HN 0.390 nan 8.290 nan 0.000 0.437 165 V N 3.613 123.499 119.914 -0.045 0.000 2.357 165 V HA 0.408 4.528 4.120 -0.000 0.000 0.284 165 V C -0.386 175.665 176.094 -0.073 0.000 1.018 165 V CA -0.426 61.839 62.300 -0.058 0.000 0.841 165 V CB 1.461 33.243 31.823 -0.067 0.000 0.991 165 V HN 0.878 nan 8.190 nan 0.000 0.437 166 S N 3.405 119.059 115.700 -0.077 0.000 2.399 166 S HA 0.344 4.814 4.470 -0.000 0.000 0.215 166 S C 0.400 174.926 174.600 -0.124 0.000 1.456 166 S CA -0.206 57.945 58.200 -0.080 0.000 1.199 166 S CB 0.382 63.555 63.200 -0.044 0.000 1.063 166 S HN 0.940 nan 8.310 nan 0.000 0.476 167 T N 1.013 115.424 114.554 -0.239 0.000 3.316 167 T HA 0.602 4.952 4.350 -0.000 0.000 0.253 167 T C 1.195 175.693 174.700 -0.337 0.000 0.995 167 T CA 0.123 61.912 62.100 -0.519 0.000 1.031 167 T CB -0.040 68.189 68.868 -1.065 0.000 1.125 167 T HN 1.121 nan 8.240 nan 0.000 0.539 168 G N 1.212 109.957 108.800 -0.092 0.000 2.583 168 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.292 168 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.292 168 G C 0.977 175.839 174.900 -0.063 0.000 1.203 168 G CA 0.052 45.142 45.100 -0.015 0.000 0.987 168 G HN 0.758 nan 8.290 nan 0.000 0.554 169 C N 1.469 120.737 119.300 -0.054 0.000 2.551 169 C HA 0.405 4.865 4.460 -0.000 0.000 0.284 169 C C 2.430 177.433 174.990 0.022 0.000 1.329 169 C CA 1.525 60.535 59.018 -0.013 0.000 1.683 169 C CB -1.911 25.829 27.740 0.001 0.000 1.730 169 C HN 1.038 nan 8.230 nan 0.000 0.591 170 T N -4.142 110.386 114.554 -0.044 0.000 3.044 170 T HA 0.051 4.401 4.350 -0.000 0.000 0.260 170 T C 1.479 176.141 174.700 -0.063 0.000 1.019 170 T CA 0.421 62.495 62.100 -0.043 0.000 0.921 170 T CB -0.180 68.663 68.868 -0.042 0.000 1.053 170 T HN 0.276 nan 8.240 nan 0.000 0.533 171 S N 1.885 117.529 115.700 -0.093 0.000 2.387 171 S HA -0.050 4.420 4.470 -0.000 0.000 0.230 171 S C 2.341 176.920 174.600 -0.034 0.000 1.035 171 S CA 1.578 59.725 58.200 -0.089 0.000 1.014 171 S CB -0.965 62.186 63.200 -0.081 0.000 0.836 171 S HN 0.770 nan 8.310 nan 0.000 0.466 172 G N 0.617 109.421 108.800 0.006 0.000 2.448 172 G HA2 -0.090 3.869 3.960 -0.000 0.000 0.219 172 G HA3 -0.090 3.869 3.960 -0.000 0.000 0.219 172 G C 1.247 176.176 174.900 0.048 0.000 1.127 172 G CA 0.538 45.664 45.100 0.045 0.000 0.766 172 G HN 0.343 nan 8.290 nan 0.000 0.552 173 L N 0.572 121.821 121.223 0.042 0.000 2.200 173 L HA 0.204 4.544 4.340 -0.000 0.000 0.200 173 L C 2.137 178.990 176.870 -0.029 0.000 1.072 173 L CA 1.144 56.017 54.840 0.055 0.000 0.787 173 L CB -0.451 41.692 42.059 0.141 0.000 0.957 173 L HN 0.037 nan 8.230 nan 0.000 0.459 174 D N -0.900 119.499 120.400 -0.001 0.000 2.178 174 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 174 D C 2.304 178.502 176.300 -0.170 0.000 0.980 174 D CA 1.407 55.369 54.000 -0.063 0.000 0.842 174 D CB -0.073 40.713 40.800 -0.023 0.000 0.948 174 D HN 0.393 nan 8.370 nan 0.000 0.472 175 S N 0.033 115.665 115.700 -0.113 0.000 2.368 175 S HA -0.102 4.368 4.470 -0.000 0.000 0.224 175 S C 2.223 176.748 174.600 -0.125 0.000 1.029 175 S CA 0.771 58.915 58.200 -0.092 0.000 0.988 175 S CB -0.690 62.486 63.200 -0.040 0.000 0.838 175 S HN 0.106 nan 8.310 nan 0.000 0.462 176 V N 2.418 122.249 119.914 -0.138 0.000 2.427 176 V HA 0.001 4.121 4.120 -0.000 0.000 0.248 176 V C 2.903 178.802 176.094 -0.325 0.000 1.051 176 V CA 1.716 63.916 62.300 -0.166 0.000 1.048 176 V CB -1.638 30.097 31.823 -0.147 0.000 0.666 176 V HN 0.656 nan 8.190 nan 0.000 0.456 177 G N 0.184 108.619 108.800 -0.608 0.000 2.422 177 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.218 177 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.218 177 G C 1.420 175.974 174.900 -0.578 0.000 1.146 177 G CA 1.144 45.555 45.100 -1.147 0.000 0.769 177 G HN 0.588 nan 8.290 nan 0.000 0.547 178 N N 1.026 119.516 118.700 -0.350 0.000 2.188 178 N HA 0.048 4.788 4.740 -0.000 0.000 0.184 178 N C 2.341 177.783 175.510 -0.113 0.000 1.018 178 N CA 1.592 54.549 53.050 -0.154 0.000 0.858 178 N CB -0.358 38.072 38.487 -0.096 0.000 0.989 178 N HN 0.210 nan 8.380 nan 0.000 0.426 179 A N 0.076 122.821 122.820 -0.124 0.000 1.902 179 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 179 A C 2.406 179.938 177.584 -0.086 0.000 1.181 179 A CA 1.541 53.527 52.037 -0.084 0.000 0.623 179 A CB -0.956 17.999 19.000 -0.075 0.000 0.818 179 A HN 0.188 nan 8.150 nan 0.000 0.443 180 V N 0.408 120.250 119.914 -0.120 0.000 2.287 180 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 180 V C 2.759 178.824 176.094 -0.049 0.000 1.053 180 V CA 2.160 64.406 62.300 -0.090 0.000 1.027 180 V CB -0.771 30.988 31.823 -0.107 0.000 0.646 180 V HN 0.487 nan 8.190 nan 0.000 0.447 181 R N 0.147 120.621 120.500 -0.043 0.000 2.091 181 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 181 R C 2.395 178.691 176.300 -0.007 0.000 1.136 181 R CA 1.599 57.696 56.100 -0.005 0.000 0.959 181 R CB -1.221 29.087 30.300 0.013 0.000 0.856 181 R HN 0.552 nan 8.270 nan 0.000 0.437 182 A N 1.523 124.332 122.820 -0.019 0.000 1.873 182 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 182 A C 2.337 179.916 177.584 -0.009 0.000 1.193 182 A CA 1.561 53.592 52.037 -0.011 0.000 0.629 182 A CB -0.615 18.375 19.000 -0.016 0.000 0.826 182 A HN 0.222 nan 8.150 nan 0.000 0.447 183 I N -0.593 119.966 120.570 -0.017 0.000 2.315 183 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 183 I C 2.457 178.573 176.117 -0.003 0.000 1.117 183 I CA 1.398 62.691 61.300 -0.013 0.000 1.404 183 I CB -0.570 37.416 38.000 -0.023 0.000 1.071 183 I HN 0.446 nan 8.210 nan 0.000 0.419 184 E N 1.145 121.344 120.200 -0.002 0.000 2.085 184 E HA -0.264 4.085 4.350 -0.000 0.000 0.194 184 E C 1.764 178.371 176.600 0.010 0.000 0.994 184 E CA 1.648 58.052 56.400 0.007 0.000 0.801 184 E CB -0.155 29.551 29.700 0.010 0.000 0.743 184 E HN 0.665 nan 8.360 nan 0.000 0.453 185 E N -0.281 119.924 120.200 0.010 0.000 2.489 185 E HA 0.077 4.427 4.350 -0.000 0.000 0.193 185 E C 1.020 177.627 176.600 0.011 0.000 1.057 185 E CA 0.488 56.895 56.400 0.012 0.000 0.866 185 E CB 0.329 30.037 29.700 0.013 0.000 0.916 185 E HN 0.211 nan 8.360 nan 0.000 0.500 186 G N 0.938 109.743 108.800 0.009 0.000 2.136 186 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.242 186 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.242 186 G C 0.890 175.796 174.900 0.009 0.000 0.989 186 G CA 0.439 45.544 45.100 0.009 0.000 0.682 186 G HN 0.306 nan 8.290 nan 0.000 0.522 187 S N -0.477 115.228 115.700 0.009 0.000 2.522 187 S HA 0.556 5.026 4.470 -0.000 0.000 0.227 187 S C 1.079 175.686 174.600 0.011 0.000 0.986 187 S CA 1.496 59.703 58.200 0.011 0.000 0.929 187 S CB 0.168 63.374 63.200 0.010 0.000 0.769 187 S HN 1.896 nan 8.310 nan 0.000 0.529 188 A N 0.141 122.965 122.820 0.007 0.000 2.601 188 A HA 0.598 4.918 4.320 -0.000 0.000 0.291 188 A C -0.972 176.612 177.584 -0.001 0.000 1.075 188 A CA -0.609 51.431 52.037 0.007 0.000 0.671 188 A CB 0.541 19.544 19.000 0.006 0.000 1.277 188 A HN 0.032 nan 8.150 nan 0.000 0.417 189 D N -0.654 119.743 120.400 -0.003 0.000 2.454 189 D HA 0.270 4.910 4.640 -0.000 0.000 0.219 189 D C -0.123 176.155 176.300 -0.037 0.000 1.081 189 D CA 0.974 54.967 54.000 -0.012 0.000 0.867 189 D CB 1.166 41.964 40.800 -0.004 0.000 1.054 189 D HN 0.241 nan 8.370 nan 0.000 0.500 190 V N 2.139 122.025 119.914 -0.046 0.000 2.638 190 V HA 0.425 4.545 4.120 -0.000 0.000 0.306 190 V C -0.570 175.457 176.094 -0.110 0.000 1.052 190 V CA -0.570 61.663 62.300 -0.113 0.000 0.885 190 V CB 2.572 34.320 31.823 -0.125 0.000 0.999 190 V HN -0.047 nan 8.190 nan 0.000 0.424 191 M N 4.377 123.859 119.600 -0.196 0.000 2.393 191 M HA 0.556 5.036 4.480 -0.000 0.000 0.299 191 M C -1.392 174.744 176.300 -0.274 0.000 1.103 191 M CA -0.318 54.906 55.300 -0.127 0.000 0.910 191 M CB 2.002 34.559 32.600 -0.071 0.000 1.659 191 M HN 0.490 nan 8.290 nan 0.000 0.445 192 F N 2.056 121.978 119.950 -0.048 0.000 2.313 192 F HA 0.635 5.162 4.527 -0.000 0.000 0.369 192 F C 0.480 176.276 175.800 -0.007 0.000 1.109 192 F CA -0.383 57.594 58.000 -0.037 0.000 1.132 192 F CB 0.976 39.947 39.000 -0.048 0.000 1.291 192 F HN 0.621 nan 8.300 nan 0.000 0.496 193 A N 2.457 125.346 122.820 0.115 0.000 2.374 193 A HA 0.985 5.305 4.320 -0.000 0.000 0.317 193 A C -0.004 177.689 177.584 0.182 0.000 1.094 193 A CA -0.050 52.055 52.037 0.114 0.000 0.765 193 A CB 1.424 20.457 19.000 0.055 0.000 1.268 193 A HN 0.921 nan 8.150 nan 0.000 0.438 194 G N -0.968 107.909 108.800 0.129 0.000 2.356 194 G HA2 0.748 4.708 3.960 -0.000 0.000 0.281 194 G HA3 0.748 4.708 3.960 -0.000 0.000 0.281 194 G C -0.895 174.040 174.900 0.059 0.000 1.246 194 G CA 0.356 45.530 45.100 0.123 0.000 0.889 194 G HN 2.249 nan 8.290 nan 0.000 0.486 195 A N -1.662 121.177 122.820 0.032 0.000 2.610 195 A HA 1.096 5.416 4.320 -0.000 0.000 0.291 195 A C -0.690 176.894 177.584 -0.000 0.000 1.086 195 A CA 0.391 52.435 52.037 0.012 0.000 0.677 195 A CB 1.212 20.224 19.000 0.021 0.000 1.278 195 A HN 2.598 nan 8.150 nan 0.000 0.414 196 A N 0.889 123.698 122.820 -0.019 0.000 2.540 196 A HA 0.751 5.071 4.320 -0.000 0.000 0.297 196 A C -1.994 175.535 177.584 -0.093 0.000 1.056 196 A CA -0.385 51.629 52.037 -0.038 0.000 0.700 196 A CB 1.507 20.492 19.000 -0.025 0.000 1.280 196 A HN 0.705 nan 8.150 nan 0.000 0.398 197 D N 1.341 121.659 120.400 -0.138 0.000 2.947 197 D HA 0.577 5.217 4.640 -0.000 0.000 0.224 197 D C -0.905 175.237 176.300 -0.262 0.000 1.230 197 D CA 0.199 54.101 54.000 -0.163 0.000 0.871 197 D CB 2.268 43.009 40.800 -0.098 0.000 1.671 197 D HN 0.647 nan 8.370 nan 0.000 0.507 198 T N -0.943 113.446 114.554 -0.274 0.000 3.504 198 T HA 0.336 4.686 4.350 -0.000 0.000 0.286 198 T C -2.145 172.482 174.700 -0.121 0.000 1.530 198 T CA -1.098 60.822 62.100 -0.298 0.000 1.652 198 T CB 1.414 69.983 68.868 -0.499 0.000 0.895 198 T HN 0.091 nan 8.240 nan 0.000 0.674 199 P HA 0.281 nan 4.420 nan 0.000 0.255 199 P C 0.366 177.717 177.300 0.084 0.000 1.248 199 P CA -0.218 62.892 63.100 0.016 0.000 0.807 199 P CB 0.069 31.792 31.700 0.039 0.000 1.150 200 I N 0.768 121.413 120.570 0.126 0.000 2.472 200 I HA 0.109 4.279 4.170 -0.000 0.000 0.305 200 I C 0.519 176.867 176.117 0.385 0.000 1.196 200 I CA 0.588 62.011 61.300 0.206 0.000 1.613 200 I CB -0.605 37.457 38.000 0.104 0.000 1.501 200 I HN -0.070 nan 8.210 nan 0.000 0.754 201 T N 4.769 119.482 114.554 0.266 0.000 2.932 201 T HA 0.304 4.654 4.350 -0.000 0.000 0.318 201 T C -2.099 172.466 174.700 -0.225 0.000 1.265 201 T CA -1.422 60.725 62.100 0.077 0.000 1.036 201 T CB 2.019 70.881 68.868 -0.010 0.000 1.209 201 T HN 0.022 nan 8.240 nan 0.000 0.484 202 P HA -0.130 nan 4.420 nan 0.000 0.217 202 P C 1.512 178.625 177.300 -0.312 0.000 1.162 202 P CA 0.936 63.619 63.100 -0.696 0.000 0.901 202 P CB 0.049 31.413 31.700 -0.559 0.000 0.793 203 I N -1.066 119.384 120.570 -0.199 0.000 2.286 203 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 203 I C 1.893 177.933 176.117 -0.128 0.000 1.115 203 I CA 1.615 62.834 61.300 -0.135 0.000 1.392 203 I CB -0.639 37.280 38.000 -0.134 0.000 1.065 203 I HN -0.223 nan 8.210 nan 0.000 0.418 204 V N -0.567 119.283 119.914 -0.107 0.000 2.453 204 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 204 V C 2.487 178.581 176.094 0.001 0.000 1.048 204 V CA 1.459 63.712 62.300 -0.077 0.000 1.049 204 V CB -0.482 31.361 31.823 0.034 0.000 0.672 204 V HN 0.291 nan 8.190 nan 0.000 0.457 205 V N 0.622 120.534 119.914 -0.003 0.000 2.343 205 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 205 V C 2.725 178.836 176.094 0.029 0.000 1.051 205 V CA 2.146 64.456 62.300 0.016 0.000 1.036 205 V CB -1.096 30.626 31.823 -0.168 0.000 0.654 205 V HN 0.556 nan 8.190 nan 0.000 0.451 206 A N -0.066 122.746 122.820 -0.012 0.000 1.930 206 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 206 A C 2.462 180.056 177.584 0.017 0.000 1.175 206 A CA 1.931 54.019 52.037 0.086 0.000 0.627 206 A CB -1.057 18.012 19.000 0.114 0.000 0.815 206 A HN 0.790 nan 8.150 nan 0.000 0.443 207 C N -1.806 117.442 119.300 -0.088 0.000 2.440 207 C HA -0.023 4.437 4.460 -0.000 0.000 0.278 207 C C 2.313 177.217 174.990 -0.144 0.000 1.295 207 C CA 0.995 59.915 59.018 -0.165 0.000 1.738 207 C CB -1.778 25.785 27.740 -0.294 0.000 1.987 207 C HN 0.441 nan 8.230 nan 0.000 0.492 208 F N 2.073 122.064 119.950 0.068 0.000 2.186 208 F HA 0.034 4.561 4.527 0.000 0.000 0.299 208 F C 2.293 178.099 175.800 0.010 0.000 1.090 208 F CA 1.869 59.907 58.000 0.063 0.000 1.307 208 F CB -0.786 38.224 39.000 0.017 0.000 1.019 208 F HN 0.216 nan 8.300 nan 0.000 0.489 209 D N 0.116 120.615 120.400 0.165 0.000 2.144 209 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 209 D C 2.393 178.741 176.300 0.080 0.000 0.984 209 D CA 1.380 55.444 54.000 0.107 0.000 0.834 209 D CB -0.625 40.249 40.800 0.122 0.000 0.955 209 D HN 0.212 nan 8.370 nan 0.000 0.465 210 A N 1.189 124.048 122.820 0.065 0.000 1.948 210 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 210 A C 2.186 179.796 177.584 0.043 0.000 1.177 210 A CA 1.458 53.518 52.037 0.038 0.000 0.636 210 A CB -0.758 18.250 19.000 0.012 0.000 0.815 210 A HN 0.471 nan 8.150 nan 0.000 0.449 211 I N -5.742 114.872 120.570 0.073 0.000 3.956 211 I HA 0.326 4.496 4.170 -0.000 0.000 0.333 211 I C 0.356 176.524 176.117 0.085 0.000 1.302 211 I CA -0.235 61.110 61.300 0.076 0.000 1.122 211 I CB -0.016 38.043 38.000 0.098 0.000 1.013 211 I HN 0.152 nan 8.210 nan 0.000 0.405 212 R N 1.154 121.700 120.500 0.076 0.000 3.264 212 R HA -0.202 4.138 4.340 -0.000 0.000 0.251 212 R C 1.043 177.362 176.300 0.032 0.000 0.971 212 R CA 0.420 56.544 56.100 0.040 0.000 0.658 212 R CB -1.711 28.603 30.300 0.024 0.000 1.095 212 R HN 0.693 nan 8.270 nan 0.000 0.443 213 A N -0.324 122.531 122.820 0.059 0.000 2.030 213 A HA 0.048 4.368 4.320 -0.000 0.000 0.215 213 A C 1.051 178.390 177.584 -0.409 0.000 1.164 213 A CA 1.203 53.255 52.037 0.026 0.000 0.697 213 A CB 0.284 19.500 19.000 0.359 0.000 0.827 213 A HN 0.462 nan 8.150 nan 0.000 0.457 214 T N -1.794 112.435 114.554 -0.542 0.000 2.922 214 T HA 0.447 4.797 4.350 -0.000 0.000 0.285 214 T C 0.226 174.735 174.700 -0.318 0.000 1.005 214 T CA 0.026 61.684 62.100 -0.737 0.000 1.061 214 T CB 1.152 69.652 68.868 -0.614 0.000 1.007 214 T HN 0.149 nan 8.240 nan 0.000 0.502 215 T N 0.174 114.574 114.554 -0.256 0.000 2.900 215 T HA 0.399 4.749 4.350 -0.000 0.000 0.307 215 T C 1.016 175.666 174.700 -0.083 0.000 1.065 215 T CA -0.135 61.889 62.100 -0.126 0.000 1.105 215 T CB 0.031 68.846 68.868 -0.089 0.000 0.979 215 T HN 0.860 nan 8.240 nan 0.000 0.544 216 A N 3.833 126.625 122.820 -0.047 0.000 2.503 216 A HA 0.327 4.647 4.320 -0.000 0.000 0.263 216 A C 1.368 178.943 177.584 -0.015 0.000 1.258 216 A CA -0.308 51.714 52.037 -0.024 0.000 0.936 216 A CB -0.122 18.870 19.000 -0.013 0.000 1.070 216 A HN 0.755 nan 8.150 nan 0.000 0.522 217 R N 1.284 121.772 120.500 -0.020 0.000 4.902 217 R HA 0.105 4.445 4.340 -0.000 0.000 0.201 217 R C 0.155 176.450 176.300 -0.009 0.000 2.020 217 R CA 0.055 56.150 56.100 -0.009 0.000 1.674 217 R CB -0.898 29.399 30.300 -0.004 0.000 1.349 217 R HN 0.381 nan 8.270 nan 0.000 0.813 218 N N 0.701 119.396 118.700 -0.008 0.000 2.520 218 N HA -0.165 4.575 4.740 -0.000 0.000 0.185 218 N C 0.411 175.919 175.510 -0.004 0.000 1.068 218 N CA 1.207 54.252 53.050 -0.009 0.000 0.911 218 N CB 0.039 38.526 38.487 -0.001 0.000 0.961 218 N HN 0.610 nan 8.380 nan 0.000 0.446 219 D N -0.500 119.902 120.400 0.003 0.000 2.317 219 D HA -0.092 4.548 4.640 -0.000 0.000 0.211 219 D C -0.152 176.160 176.300 0.019 0.000 0.966 219 D CA 0.623 54.629 54.000 0.009 0.000 0.876 219 D CB 0.095 40.901 40.800 0.010 0.000 0.927 219 D HN -0.018 nan 8.370 nan 0.000 0.519 220 D N -0.081 120.334 120.400 0.024 0.000 2.621 220 D HA 0.207 4.847 4.640 -0.000 0.000 0.274 220 D C -2.041 174.271 176.300 0.020 0.000 1.215 220 D CA -1.993 52.041 54.000 0.057 0.000 0.810 220 D CB 1.520 42.379 40.800 0.098 0.000 1.248 220 D HN -0.214 nan 8.370 nan 0.000 0.517 221 P HA -0.147 nan 4.420 nan 0.000 0.214 221 P C 1.008 178.223 177.300 -0.142 0.000 1.163 221 P CA 1.095 64.152 63.100 -0.072 0.000 0.889 221 P CB 0.461 32.117 31.700 -0.074 0.000 0.790 222 E N -1.947 118.105 120.200 -0.246 0.000 2.396 222 E HA -0.162 4.188 4.350 -0.000 0.000 0.200 222 E C 0.769 176.889 176.600 -0.799 0.000 1.023 222 E CA 0.946 57.030 56.400 -0.527 0.000 0.857 222 E CB -0.376 28.905 29.700 -0.699 0.000 0.775 222 E HN 0.501 nan 8.360 nan 0.000 0.525 223 H N -2.801 116.259 119.070 -0.016 0.000 2.865 223 H HA 0.406 4.962 4.556 -0.000 0.000 0.247 223 H C 0.967 176.285 175.328 -0.017 0.000 1.181 223 H CA 0.449 56.488 56.048 -0.014 0.000 0.975 223 H CB 0.558 30.313 29.762 -0.012 0.000 1.899 223 H HN 0.127 nan 8.280 nan 0.000 0.651 224 A N 0.900 123.730 122.820 0.018 0.000 1.969 224 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 224 A C 1.555 179.138 177.584 -0.001 0.000 1.169 224 A CA 0.884 52.923 52.037 0.004 0.000 0.635 224 A CB 0.034 19.018 19.000 -0.026 0.000 0.810 224 A HN 0.181 nan 8.150 nan 0.000 0.445 225 S N 0.815 116.514 115.700 -0.002 0.000 2.400 225 S HA 0.413 4.883 4.470 -0.000 0.000 0.295 225 S C -0.023 174.576 174.600 -0.002 0.000 1.113 225 S CA -0.718 57.480 58.200 -0.004 0.000 1.064 225 S CB -0.267 62.933 63.200 -0.001 0.000 0.990 225 S HN 0.452 nan 8.310 nan 0.000 0.502 226 R N 4.708 125.197 120.500 -0.020 0.000 2.585 226 R HA 0.345 4.685 4.340 -0.000 0.000 0.278 226 R C -3.016 173.238 176.300 -0.078 0.000 1.663 226 R CA -1.823 54.264 56.100 -0.021 0.000 1.592 226 R CB 0.675 30.977 30.300 0.003 0.000 1.200 226 R HN 0.371 nan 8.270 nan 0.000 0.611 227 P HA 0.004 nan 4.420 nan 0.000 0.271 227 P C -0.020 177.085 177.300 -0.326 0.000 1.216 227 P CA 0.176 63.052 63.100 -0.373 0.000 0.776 227 P CB 0.331 31.747 31.700 -0.473 0.000 0.881 228 F N -1.968 117.852 119.950 -0.218 0.000 2.705 228 F HA -0.272 4.255 4.527 0.000 0.000 0.413 228 F C 0.734 176.415 175.800 -0.199 0.000 0.588 228 F CA 0.997 58.778 58.000 -0.365 0.000 1.187 228 F CB -1.832 36.614 39.000 -0.923 0.000 1.737 228 F HN 0.286 nan 8.300 nan 0.000 0.285 229 D N 0.747 121.147 120.400 -0.000 0.000 2.345 229 D HA 0.430 5.070 4.640 -0.000 0.000 0.247 229 D C 1.423 177.733 176.300 0.017 0.000 1.108 229 D CA 0.763 54.777 54.000 0.023 0.000 0.894 229 D CB 1.365 42.174 40.800 0.015 0.000 1.203 229 D HN 0.175 nan 8.370 nan 0.000 0.430 230 G N 1.421 110.239 108.800 0.031 0.000 2.462 230 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 230 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 230 G C 1.271 176.180 174.900 0.016 0.000 1.121 230 G CA 1.346 46.463 45.100 0.028 0.000 0.758 230 G HN 0.619 nan 8.290 nan 0.000 0.559 231 T N -1.221 113.339 114.554 0.010 0.000 3.086 231 T HA 0.196 4.546 4.350 -0.000 0.000 0.250 231 T C 1.115 175.814 174.700 -0.002 0.000 1.074 231 T CA -0.440 61.663 62.100 0.005 0.000 0.988 231 T CB -0.100 68.771 68.868 0.005 0.000 0.988 231 T HN 0.521 nan 8.240 nan 0.000 0.530 232 R N 1.978 122.472 120.500 -0.010 0.000 2.640 232 R HA 0.146 4.486 4.340 -0.000 0.000 0.270 232 R C -0.419 175.870 176.300 -0.019 0.000 1.024 232 R CA 0.530 56.616 56.100 -0.022 0.000 1.085 232 R CB 0.073 30.345 30.300 -0.048 0.000 0.963 232 R HN 0.350 nan 8.270 nan 0.000 0.426 233 D N 1.062 121.448 120.400 -0.024 0.000 2.865 233 D HA 0.244 4.884 4.640 -0.000 0.000 0.347 233 D C 0.038 176.312 176.300 -0.042 0.000 1.498 233 D CA 0.052 54.037 54.000 -0.024 0.000 0.787 233 D CB 0.439 41.226 40.800 -0.021 0.000 1.190 233 D HN 0.917 nan 8.370 nan 0.000 0.445 234 G N 0.342 109.119 108.800 -0.039 0.000 2.392 234 G HA2 0.230 4.190 3.960 -0.000 0.000 0.677 234 G HA3 0.230 4.190 3.960 -0.000 0.000 0.677 234 G C -0.599 174.270 174.900 -0.053 0.000 1.334 234 G CA -0.691 44.368 45.100 -0.069 0.000 0.961 234 G HN 0.297 nan 8.290 nan 0.000 0.616 235 F N -0.699 119.204 119.950 -0.078 0.000 2.362 235 F HA 0.837 5.364 4.527 -0.000 0.000 0.311 235 F C 0.262 176.003 175.800 -0.098 0.000 1.161 235 F CA -1.478 56.466 58.000 -0.094 0.000 1.085 235 F CB 1.114 40.073 39.000 -0.068 0.000 1.311 235 F HN 0.413 nan 8.300 nan 0.000 0.524 236 V N 3.350 123.396 119.914 0.220 0.000 2.357 236 V HA 0.242 4.362 4.120 -0.000 0.000 0.284 236 V C -0.257 175.965 176.094 0.213 0.000 1.018 236 V CA -0.856 61.489 62.300 0.075 0.000 0.841 236 V CB 1.009 32.849 31.823 0.028 0.000 0.991 236 V HN 0.820 nan 8.190 nan 0.000 0.437 237 L N 5.555 126.843 121.223 0.107 0.000 2.525 237 L HA 0.527 4.867 4.340 -0.000 0.000 0.278 237 L C 0.330 177.228 176.870 0.047 0.000 1.218 237 L CA 1.107 56.023 54.840 0.127 0.000 0.878 237 L CB 0.322 42.425 42.059 0.073 0.000 1.127 237 L HN 0.861 nan 8.230 nan 0.000 0.492 238 A N 4.423 127.262 122.820 0.032 0.000 2.583 238 A HA 0.763 5.083 4.320 -0.000 0.000 0.289 238 A C -1.211 176.378 177.584 0.008 0.000 1.151 238 A CA -0.402 51.643 52.037 0.014 0.000 0.695 238 A CB 1.192 20.218 19.000 0.042 0.000 1.290 238 A HN 0.792 nan 8.150 nan 0.000 0.419 239 E N -0.453 119.763 120.200 0.027 0.000 2.339 239 E HA 0.814 5.164 4.350 -0.000 0.000 0.262 239 E C -0.054 176.600 176.600 0.090 0.000 0.934 239 E CA -0.707 55.695 56.400 0.004 0.000 0.802 239 E CB 2.215 31.902 29.700 -0.022 0.000 1.275 239 E HN 1.856 nan 8.360 nan 0.000 0.427 240 G N -0.712 108.139 108.800 0.085 0.000 2.321 240 G HA2 0.525 4.485 3.960 -0.000 0.000 0.298 240 G HA3 0.525 4.485 3.960 -0.000 0.000 0.298 240 G C -1.815 173.193 174.900 0.179 0.000 1.385 240 G CA -0.349 44.883 45.100 0.220 0.000 0.856 240 G HN 0.963 nan 8.290 nan 0.000 0.584 241 A N -1.271 121.639 122.820 0.151 0.000 2.605 241 A HA 1.117 5.437 4.320 -0.000 0.000 0.294 241 A C -0.496 177.047 177.584 -0.069 0.000 1.062 241 A CA 0.394 52.472 52.037 0.068 0.000 0.682 241 A CB 1.205 20.307 19.000 0.171 0.000 1.278 241 A HN 2.656 nan 8.150 nan 0.000 0.410 242 A N 0.699 123.447 122.820 -0.119 0.000 2.547 242 A HA 0.860 5.180 4.320 -0.000 0.000 0.297 242 A C -1.225 176.134 177.584 -0.376 0.000 1.056 242 A CA -0.360 51.499 52.037 -0.297 0.000 0.688 242 A CB 1.539 20.362 19.000 -0.295 0.000 1.282 242 A HN 1.364 nan 8.150 nan 0.000 0.400 243 M N 0.929 120.175 119.600 -0.590 0.000 2.572 243 M HA 0.855 5.335 4.480 -0.000 0.000 0.299 243 M C -1.808 174.013 176.300 -0.798 0.000 1.205 243 M CA -1.015 54.012 55.300 -0.455 0.000 0.876 243 M CB 1.595 34.118 32.600 -0.128 0.000 1.728 243 M HN 0.574 nan 8.290 nan 0.000 0.458 244 F N 0.957 120.902 119.950 -0.009 0.000 2.599 244 F HA 0.729 5.256 4.527 -0.000 0.000 0.311 244 F C -0.604 175.096 175.800 -0.168 0.000 1.076 244 F CA -1.093 56.859 58.000 -0.080 0.000 0.937 244 F CB 1.657 40.600 39.000 -0.094 0.000 1.282 244 F HN 0.131 nan 8.300 nan 0.000 0.460 245 V N 4.177 124.054 119.914 -0.062 0.000 2.350 245 V HA 0.420 4.540 4.120 -0.000 0.000 0.276 245 V C -0.252 175.710 176.094 -0.221 0.000 1.028 245 V CA -0.535 61.534 62.300 -0.384 0.000 0.860 245 V CB 1.164 32.747 31.823 -0.400 0.000 0.990 245 V HN 0.502 nan 8.190 nan 0.000 0.453 246 L N 5.950 127.017 121.223 -0.260 0.000 2.334 246 L HA 0.788 5.128 4.340 -0.000 0.000 0.276 246 L C -0.059 176.714 176.870 -0.161 0.000 1.014 246 L CA -0.438 54.309 54.840 -0.155 0.000 0.815 246 L CB 1.931 43.915 42.059 -0.124 0.000 1.268 246 L HN 0.785 nan 8.230 nan 0.000 0.428 247 E N -0.006 120.140 120.200 -0.089 0.000 2.445 247 E HA 0.236 4.586 4.350 -0.000 0.000 0.279 247 E C -1.712 174.884 176.600 -0.006 0.000 1.018 247 E CA -1.007 55.355 56.400 -0.063 0.000 0.816 247 E CB 1.613 31.270 29.700 -0.072 0.000 1.356 247 E HN 0.394 nan 8.360 nan 0.000 0.462 248 D N 0.164 120.567 120.400 0.004 0.000 2.493 248 D HA -0.099 4.541 4.640 -0.000 0.000 0.240 248 D C 0.340 176.694 176.300 0.091 0.000 1.142 248 D CA 0.269 54.293 54.000 0.040 0.000 0.872 248 D CB 0.396 41.207 40.800 0.019 0.000 1.173 248 D HN 0.521 nan 8.370 nan 0.000 0.467 249 Y N 3.771 124.056 120.300 -0.025 0.000 2.128 249 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 249 Y C 1.541 177.431 175.900 -0.017 0.000 1.154 249 Y CA 1.967 60.055 58.100 -0.021 0.000 1.149 249 Y CB -0.134 38.315 38.460 -0.018 0.000 0.976 249 Y HN 0.501 nan 8.280 nan 0.000 0.505 250 D N -1.107 119.211 120.400 -0.137 0.000 2.117 250 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 250 D C 2.415 178.624 176.300 -0.151 0.000 0.987 250 D CA 1.597 55.460 54.000 -0.230 0.000 0.829 250 D CB -0.511 40.223 40.800 -0.109 0.000 0.961 250 D HN 0.352 nan 8.370 nan 0.000 0.460 251 S N 0.111 115.768 115.700 -0.072 0.000 2.382 251 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 251 S C 2.011 176.582 174.600 -0.048 0.000 1.027 251 S CA 1.365 59.537 58.200 -0.047 0.000 0.991 251 S CB -0.071 63.116 63.200 -0.021 0.000 0.823 251 S HN 0.274 nan 8.310 nan 0.000 0.469 252 A N 1.372 124.166 122.820 -0.042 0.000 1.877 252 A HA 0.034 4.354 4.320 -0.000 0.000 0.216 252 A C 2.158 179.710 177.584 -0.055 0.000 1.186 252 A CA 1.456 53.480 52.037 -0.021 0.000 0.620 252 A CB -0.811 18.213 19.000 0.041 0.000 0.822 252 A HN 0.561 nan 8.150 nan 0.000 0.443 253 L N -0.654 120.488 121.223 -0.136 0.000 2.017 253 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 253 L C 3.117 179.927 176.870 -0.100 0.000 1.073 253 L CA 1.082 55.831 54.840 -0.152 0.000 0.745 253 L CB -0.742 41.144 42.059 -0.289 0.000 0.894 253 L HN 0.425 nan 8.230 nan 0.000 0.432 254 A N 1.365 124.125 122.820 -0.099 0.000 1.884 254 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 254 A C 2.306 179.867 177.584 -0.039 0.000 1.197 254 A CA 2.327 54.325 52.037 -0.064 0.000 0.637 254 A CB -0.737 18.230 19.000 -0.056 0.000 0.827 254 A HN 0.589 nan 8.150 nan 0.000 0.450 255 R N -0.722 119.761 120.500 -0.029 0.000 2.323 255 R HA 0.272 4.612 4.340 -0.000 0.000 0.198 255 R C 1.048 177.343 176.300 -0.008 0.000 0.988 255 R CA 0.814 56.908 56.100 -0.010 0.000 1.041 255 R CB -0.821 29.480 30.300 0.002 0.000 0.926 255 R HN 0.989 nan 8.270 nan 0.000 0.476 256 G N 0.575 109.362 108.800 -0.020 0.000 2.221 256 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.265 256 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.265 256 G C 0.273 175.169 174.900 -0.007 0.000 1.041 256 G CA 0.174 45.264 45.100 -0.017 0.000 0.807 256 G HN 0.732 nan 8.290 nan 0.000 0.502 257 A N -0.518 122.301 122.820 -0.001 0.000 2.346 257 A HA 0.698 5.018 4.320 -0.000 0.000 0.252 257 A C 0.906 178.492 177.584 0.003 0.000 1.089 257 A CA 0.380 52.426 52.037 0.015 0.000 0.797 257 A CB 0.318 19.334 19.000 0.026 0.000 1.047 257 A HN 0.917 nan 8.150 nan 0.000 0.494 258 R N 1.101 121.602 120.500 0.002 0.000 2.234 258 R HA 0.399 4.739 4.340 -0.000 0.000 0.324 258 R C -1.159 175.099 176.300 -0.071 0.000 1.054 258 R CA -0.144 55.910 56.100 -0.076 0.000 0.912 258 R CB -0.009 30.208 30.300 -0.139 0.000 1.030 258 R HN 0.620 nan 8.270 nan 0.000 0.455 259 I N 6.005 126.532 120.570 -0.072 0.000 2.281 259 I HA 0.074 4.244 4.170 -0.000 0.000 0.293 259 I C 1.208 177.279 176.117 -0.076 0.000 1.085 259 I CA -0.465 60.834 61.300 -0.000 0.000 1.257 259 I CB 1.008 39.047 38.000 0.064 0.000 1.430 259 I HN 0.725 nan 8.210 nan 0.000 0.489 260 H N 5.316 124.384 119.070 -0.004 0.000 2.428 260 H HA 0.258 4.814 4.556 0.000 0.000 0.296 260 H C 0.724 176.030 175.328 -0.037 0.000 1.062 260 H CA 0.724 56.760 56.048 -0.020 0.000 1.350 260 H CB 0.553 30.316 29.762 0.002 0.000 1.403 260 H HN 0.718 nan 8.280 nan 0.000 0.533 261 A N 0.513 123.379 122.820 0.076 0.000 2.522 261 A HA 0.287 4.607 4.320 -0.000 0.000 0.294 261 A C -1.349 176.210 177.584 -0.042 0.000 1.001 261 A CA -0.722 51.314 52.037 -0.001 0.000 0.642 261 A CB 1.430 20.423 19.000 -0.011 0.000 1.326 261 A HN 0.208 nan 8.150 nan 0.000 0.435 262 E N 0.585 120.734 120.200 -0.085 0.000 2.199 262 E HA 0.639 4.989 4.350 -0.000 0.000 0.269 262 E C -1.288 175.248 176.600 -0.106 0.000 0.899 262 E CA -0.681 55.642 56.400 -0.129 0.000 0.772 262 E CB 1.155 30.720 29.700 -0.224 0.000 1.155 262 E HN 0.508 nan 8.360 nan 0.000 0.408 263 I N 4.992 125.500 120.570 -0.103 0.000 2.224 263 I HA 0.011 4.181 4.170 -0.000 0.000 0.293 263 I C 1.221 177.304 176.117 -0.057 0.000 1.155 263 I CA -0.085 61.167 61.300 -0.079 0.000 1.297 263 I CB 0.339 38.282 38.000 -0.095 0.000 1.487 263 I HN 0.550 nan 8.210 nan 0.000 0.564 264 S N 2.455 118.121 115.700 -0.056 0.000 2.481 264 S HA 0.115 4.585 4.470 -0.000 0.000 0.231 264 S C 0.906 175.498 174.600 -0.013 0.000 0.996 264 S CA 0.166 58.337 58.200 -0.049 0.000 0.942 264 S CB 0.136 63.300 63.200 -0.060 0.000 0.768 264 S HN 0.608 nan 8.310 nan 0.000 0.520 265 G N -0.194 108.614 108.800 0.013 0.000 2.766 265 G HA2 0.525 4.485 3.960 -0.000 0.000 0.297 265 G HA3 0.525 4.485 3.960 -0.000 0.000 0.297 265 G C -2.118 172.846 174.900 0.106 0.000 1.431 265 G CA -0.759 44.365 45.100 0.039 0.000 1.042 265 G HN 0.280 nan 8.290 nan 0.000 0.542 266 Y N 1.071 121.358 120.300 -0.021 0.000 2.442 266 Y HA 0.740 5.290 4.550 -0.000 0.000 0.330 266 Y C -0.794 175.104 175.900 -0.003 0.000 1.100 266 Y CA -0.475 57.617 58.100 -0.015 0.000 1.034 266 Y CB 1.748 40.194 38.460 -0.023 0.000 1.285 266 Y HN 1.181 nan 8.280 nan 0.000 0.440 267 A N 3.445 125.679 122.820 -0.975 0.000 2.587 267 A HA 0.839 5.159 4.320 -0.000 0.000 0.293 267 A C -1.314 175.837 177.584 -0.722 0.000 1.087 267 A CA -0.355 51.235 52.037 -0.744 0.000 0.692 267 A CB 1.986 20.806 19.000 -0.300 0.000 1.291 267 A HN 0.884 nan 8.150 nan 0.000 0.407 268 T N 0.396 114.718 114.554 -0.386 0.000 2.982 268 T HA 0.676 5.026 4.350 -0.000 0.000 0.321 268 T C -1.404 173.279 174.700 -0.028 0.000 1.229 268 T CA -0.604 61.407 62.100 -0.149 0.000 1.044 268 T CB 0.919 69.772 68.868 -0.026 0.000 1.184 268 T HN 0.761 nan 8.240 nan 0.000 0.477 269 R N 1.741 122.255 120.500 0.024 0.000 2.817 269 R HA 0.735 5.075 4.340 -0.000 0.000 0.268 269 R C -1.127 175.198 176.300 0.041 0.000 1.027 269 R CA -0.496 55.620 56.100 0.026 0.000 0.928 269 R CB 1.387 31.687 30.300 -0.002 0.000 1.228 269 R HN 0.754 nan 8.270 nan 0.000 0.469 270 C N 0.005 119.301 119.300 -0.007 0.000 2.529 270 C HA 0.398 4.858 4.460 -0.000 0.000 0.329 270 C C 1.966 176.939 174.990 -0.029 0.000 1.194 270 C CA -0.689 58.288 59.018 -0.068 0.000 1.779 270 C CB 1.399 29.038 27.740 -0.169 0.000 2.322 270 C HN 0.829 nan 8.230 nan 0.000 0.500 271 N N 1.172 119.860 118.700 -0.020 0.000 2.058 271 N HA -0.041 4.699 4.740 -0.000 0.000 0.191 271 N C 1.236 176.784 175.510 0.065 0.000 1.037 271 N CA 1.214 54.294 53.050 0.050 0.000 0.848 271 N CB -0.133 38.415 38.487 0.102 0.000 1.021 271 N HN 0.951 nan 8.380 nan 0.000 0.422 272 A N -0.909 121.922 122.820 0.019 0.000 2.872 272 A HA -0.248 4.072 4.320 -0.000 0.000 0.273 272 A C 0.627 178.270 177.584 0.099 0.000 1.442 272 A CA 1.447 53.493 52.037 0.015 0.000 0.801 272 A CB -2.339 16.666 19.000 0.009 0.000 1.031 272 A HN 0.717 nan 8.150 nan 0.000 0.582 273 Y N -0.965 119.325 120.300 -0.016 0.000 2.569 273 Y HA 0.465 5.015 4.550 0.000 0.000 0.278 273 Y C 0.816 176.760 175.900 0.074 0.000 1.130 273 Y CA 1.396 59.511 58.100 0.025 0.000 1.280 273 Y CB 0.558 39.040 38.460 0.038 0.000 1.379 273 Y HN 0.701 nan 8.280 nan 0.000 0.508 274 H N -0.227 118.717 119.070 -0.211 0.000 3.079 274 H HA 0.260 4.816 4.556 0.000 0.000 0.356 274 H C 0.366 175.600 175.328 -0.157 0.000 1.221 274 H CA -0.372 55.481 56.048 -0.326 0.000 1.185 274 H CB 1.578 30.997 29.762 -0.571 0.000 1.882 274 H HN 0.176 nan 8.280 nan 0.000 0.543 275 M N 1.647 121.021 119.600 -0.378 0.000 2.279 275 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 275 M C 1.507 177.759 176.300 -0.080 0.000 1.062 275 M CA 2.054 57.245 55.300 -0.183 0.000 1.099 275 M CB -0.898 31.534 32.600 -0.281 0.000 1.394 275 M HN 0.712 nan 8.290 nan 0.000 0.426 276 T N -4.232 110.419 114.554 0.162 0.000 3.010 276 T HA 0.250 4.600 4.350 -0.000 0.000 0.252 276 T C 1.083 175.815 174.700 0.052 0.000 0.963 276 T CA 0.319 62.325 62.100 -0.157 0.000 0.952 276 T CB -0.368 68.216 68.868 -0.473 0.000 1.182 276 T HN 0.268 nan 8.240 nan 0.000 0.495 277 G N 1.579 110.346 108.800 -0.055 0.000 2.569 277 G HA2 0.574 4.534 3.960 -0.000 0.000 0.249 277 G HA3 0.574 4.534 3.960 -0.000 0.000 0.249 277 G C -0.946 174.050 174.900 0.161 0.000 1.216 277 G CA -0.513 44.513 45.100 -0.125 0.000 0.845 277 G HN 0.495 nan 8.290 nan 0.000 0.568 278 L N 0.367 121.664 121.223 0.125 0.000 2.386 278 L HA 0.443 4.783 4.340 -0.000 0.000 0.271 278 L C 0.368 177.224 176.870 -0.024 0.000 0.993 278 L CA -0.849 53.990 54.840 -0.002 0.000 0.819 278 L CB 2.398 44.307 42.059 -0.250 0.000 1.294 278 L HN 0.477 nan 8.230 nan 0.000 0.414 279 K N 0.633 120.920 120.400 -0.190 0.000 2.126 279 K HA 0.422 4.742 4.320 -0.000 0.000 0.257 279 K C 0.772 177.375 176.600 0.006 0.000 1.007 279 K CA 0.257 56.369 56.287 -0.293 0.000 0.928 279 K CB 1.608 33.799 32.500 -0.516 0.000 1.013 279 K HN 0.725 nan 8.250 nan 0.000 0.473 280 A N 2.321 125.124 122.820 -0.030 0.000 1.929 280 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 280 A C 1.438 179.014 177.584 -0.013 0.000 1.176 280 A CA 1.889 53.938 52.037 0.019 0.000 0.628 280 A CB -0.702 18.299 19.000 0.002 0.000 0.816 280 A HN 0.975 nan 8.150 nan 0.000 0.444 281 D N -1.008 119.363 120.400 -0.049 0.000 2.158 281 D HA 0.098 4.738 4.640 -0.000 0.000 0.197 281 D C 1.355 177.575 176.300 -0.134 0.000 0.995 281 D CA 1.249 55.205 54.000 -0.074 0.000 0.846 281 D CB -0.808 39.949 40.800 -0.071 0.000 0.941 281 D HN 0.892 nan 8.370 nan 0.000 0.456 282 G N 0.660 109.352 108.800 -0.180 0.000 2.249 282 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.273 282 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.273 282 G C 0.808 175.575 174.900 -0.221 0.000 1.036 282 G CA 0.608 45.441 45.100 -0.445 0.000 0.824 282 G HN 0.573 nan 8.290 nan 0.000 0.504 283 R N -0.076 120.362 120.500 -0.104 0.000 2.082 283 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 283 R C 2.306 178.578 176.300 -0.048 0.000 1.136 283 R CA 2.235 58.294 56.100 -0.067 0.000 0.935 283 R CB -0.272 30.000 30.300 -0.047 0.000 0.842 283 R HN 0.442 nan 8.270 nan 0.000 0.430 284 E N 0.334 120.525 120.200 -0.015 0.000 2.110 284 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 284 E C 1.863 178.457 176.600 -0.009 0.000 0.988 284 E CA 1.723 58.123 56.400 -0.000 0.000 0.804 284 E CB -0.210 29.507 29.700 0.028 0.000 0.745 284 E HN 0.415 nan 8.360 nan 0.000 0.458 285 M N -0.180 119.410 119.600 -0.016 0.000 2.254 285 M HA -0.033 4.447 4.480 -0.000 0.000 0.265 285 M C 2.016 178.269 176.300 -0.078 0.000 1.066 285 M CA 1.468 56.743 55.300 -0.040 0.000 1.123 285 M CB 0.067 32.630 32.600 -0.062 0.000 1.388 285 M HN 0.175 nan 8.290 nan 0.000 0.425 286 A N 0.195 122.954 122.820 -0.101 0.000 1.902 286 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 286 A C 1.857 179.416 177.584 -0.042 0.000 1.181 286 A CA 2.094 54.086 52.037 -0.075 0.000 0.623 286 A CB -0.839 18.114 19.000 -0.077 0.000 0.818 286 A HN 0.617 nan 8.150 nan 0.000 0.443 287 E N -0.052 120.124 120.200 -0.039 0.000 2.085 287 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 287 E C 1.979 178.558 176.600 -0.035 0.000 0.994 287 E CA 2.202 58.584 56.400 -0.031 0.000 0.801 287 E CB -0.714 28.970 29.700 -0.026 0.000 0.743 287 E HN 0.510 nan 8.360 nan 0.000 0.453 288 T N 0.676 115.206 114.554 -0.039 0.000 2.746 288 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 288 T C 1.933 176.602 174.700 -0.053 0.000 1.039 288 T CA 1.538 63.604 62.100 -0.056 0.000 1.142 288 T CB -0.301 68.535 68.868 -0.054 0.000 0.866 288 T HN 0.166 nan 8.240 nan 0.000 0.444 289 I N 0.608 121.162 120.570 -0.028 0.000 2.226 289 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 289 I C 2.853 178.965 176.117 -0.007 0.000 1.100 289 I CA 1.238 62.537 61.300 -0.002 0.000 1.374 289 I CB -0.357 37.663 38.000 0.035 0.000 1.057 289 I HN 0.135 nan 8.210 nan 0.000 0.413 290 R N 0.837 121.330 120.500 -0.012 0.000 2.083 290 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 290 R C 2.275 178.562 176.300 -0.022 0.000 1.137 290 R CA 1.720 57.812 56.100 -0.013 0.000 0.951 290 R CB -0.192 30.099 30.300 -0.015 0.000 0.851 290 R HN 0.174 nan 8.270 nan 0.000 0.434 291 V N 1.080 120.974 119.914 -0.034 0.000 2.343 291 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 291 V C 2.534 178.601 176.094 -0.045 0.000 1.051 291 V CA 1.858 64.134 62.300 -0.041 0.000 1.036 291 V CB -0.752 31.038 31.823 -0.056 0.000 0.654 291 V HN 0.541 nan 8.190 nan 0.000 0.451 292 A N -0.214 122.572 122.820 -0.056 0.000 1.902 292 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 292 A C 2.223 179.795 177.584 -0.021 0.000 1.181 292 A CA 1.813 53.821 52.037 -0.048 0.000 0.623 292 A CB -0.539 18.431 19.000 -0.051 0.000 0.818 292 A HN 0.502 nan 8.150 nan 0.000 0.443 293 L N -0.583 120.630 121.223 -0.016 0.000 2.093 293 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 293 L C 2.499 179.359 176.870 -0.017 0.000 1.085 293 L CA 1.581 56.413 54.840 -0.013 0.000 0.755 293 L CB -0.513 41.541 42.059 -0.009 0.000 0.904 293 L HN 0.495 nan 8.230 nan 0.000 0.435 294 D N 0.331 120.720 120.400 -0.018 0.000 2.084 294 D HA -0.271 4.369 4.640 -0.000 0.000 0.194 294 D C 1.971 178.262 176.300 -0.015 0.000 0.990 294 D CA 1.549 55.539 54.000 -0.017 0.000 0.826 294 D CB 0.125 40.915 40.800 -0.017 0.000 0.971 294 D HN 0.362 nan 8.370 nan 0.000 0.453 295 E N 0.059 120.250 120.200 -0.014 0.000 2.097 295 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 295 E C 1.923 178.517 176.600 -0.010 0.000 1.000 295 E CA 1.200 57.595 56.400 -0.008 0.000 0.804 295 E CB -0.181 29.518 29.700 -0.001 0.000 0.740 295 E HN 0.086 nan 8.360 nan 0.000 0.454 296 S N -0.486 115.206 115.700 -0.013 0.000 2.507 296 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 296 S C 0.815 175.401 174.600 -0.023 0.000 0.988 296 S CA 1.051 59.239 58.200 -0.019 0.000 0.944 296 S CB -0.322 62.868 63.200 -0.017 0.000 0.762 296 S HN 0.366 nan 8.310 nan 0.000 0.526 297 R N 0.065 120.553 120.500 -0.020 0.000 4.010 297 R HA -0.134 4.206 4.340 -0.000 0.000 0.409 297 R C -0.079 176.206 176.300 -0.025 0.000 1.120 297 R CA 1.241 57.328 56.100 -0.021 0.000 1.244 297 R CB -2.881 27.406 30.300 -0.020 0.000 1.799 297 R HN 0.636 nan 8.270 nan 0.000 0.559 298 T N -1.322 113.216 114.554 -0.026 0.000 2.889 298 T HA 0.357 4.707 4.350 -0.000 0.000 0.291 298 T C 0.180 174.858 174.700 -0.038 0.000 0.995 298 T CA -0.973 61.108 62.100 -0.031 0.000 1.092 298 T CB 1.840 70.692 68.868 -0.027 0.000 0.954 298 T HN -0.034 nan 8.240 nan 0.000 0.506 299 D N 1.201 121.569 120.400 -0.053 0.000 2.329 299 D HA 0.397 5.037 4.640 -0.000 0.000 0.246 299 D C 1.444 177.682 176.300 -0.103 0.000 1.111 299 D CA -0.369 53.587 54.000 -0.072 0.000 0.941 299 D CB 1.412 42.161 40.800 -0.085 0.000 1.169 299 D HN 0.683 nan 8.370 nan 0.000 0.441 300 A N 1.143 123.894 122.820 -0.115 0.000 1.892 300 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 300 A C 2.042 179.353 177.584 -0.454 0.000 1.188 300 A CA 2.651 54.609 52.037 -0.132 0.000 0.631 300 A CB -1.178 17.785 19.000 -0.061 0.000 0.822 300 A HN 0.715 nan 8.150 nan 0.000 0.447 301 T N -2.261 111.901 114.554 -0.653 0.000 2.946 301 T HA -0.140 4.210 4.350 -0.000 0.000 0.271 301 T C 1.010 175.434 174.700 -0.461 0.000 1.104 301 T CA 1.535 63.031 62.100 -1.005 0.000 1.114 301 T CB -0.449 68.158 68.868 -0.435 0.000 0.867 301 T HN 0.446 nan 8.240 nan 0.000 0.513 302 D N 0.786 121.049 120.400 -0.228 0.000 2.317 302 D HA 0.110 4.750 4.640 -0.000 0.000 0.211 302 D C 0.572 176.877 176.300 0.008 0.000 0.966 302 D CA 0.165 54.120 54.000 -0.075 0.000 0.876 302 D CB -0.021 40.746 40.800 -0.056 0.000 0.927 302 D HN 0.388 nan 8.370 nan 0.000 0.519 303 I N 2.338 122.942 120.570 0.056 0.000 2.517 303 I HA -0.040 4.130 4.170 -0.000 0.000 0.285 303 I C 1.026 177.258 176.117 0.191 0.000 1.106 303 I CA 0.273 61.649 61.300 0.127 0.000 1.402 303 I CB 0.770 38.851 38.000 0.136 0.000 1.399 303 I HN -0.161 nan 8.210 nan 0.000 0.535 304 D N 5.216 125.692 120.400 0.127 0.000 2.355 304 D HA -0.023 4.617 4.640 -0.000 0.000 0.206 304 D C -0.026 176.372 176.300 0.164 0.000 1.010 304 D CA 0.907 54.983 54.000 0.126 0.000 0.875 304 D CB 0.550 41.414 40.800 0.106 0.000 0.966 304 D HN 0.505 nan 8.370 nan 0.000 0.512 305 Y N 0.434 120.734 120.300 0.001 0.000 2.513 305 Y HA 0.449 4.999 4.550 0.000 0.000 0.340 305 Y C -2.024 173.859 175.900 -0.027 0.000 1.055 305 Y CA -1.361 56.727 58.100 -0.020 0.000 1.020 305 Y CB 1.203 39.674 38.460 0.018 0.000 1.301 305 Y HN -0.293 nan 8.280 nan 0.000 0.453 306 I N 6.105 126.217 120.570 -0.764 0.000 2.420 306 I HA 0.253 4.423 4.170 -0.000 0.000 0.282 306 I C -0.564 174.982 176.117 -0.952 0.000 1.019 306 I CA -0.736 60.124 61.300 -0.733 0.000 1.130 306 I CB 1.391 39.066 38.000 -0.541 0.000 1.262 306 I HN 0.609 nan 8.210 nan 0.000 0.454 307 N N 6.396 124.610 118.700 -0.811 0.000 2.439 307 N HA 0.323 5.063 4.740 -0.000 0.000 0.243 307 N C -0.090 175.414 175.510 -0.010 0.000 1.088 307 N CA -0.047 52.805 53.050 -0.331 0.000 0.940 307 N CB 1.211 39.658 38.487 -0.067 0.000 1.180 307 N HN 0.724 nan 8.380 nan 0.000 0.505 308 A N 2.772 125.666 122.820 0.125 0.000 2.325 308 A HA 0.026 4.346 4.320 -0.000 0.000 0.260 308 A C 1.047 178.807 177.584 0.293 0.000 1.133 308 A CA 0.132 52.373 52.037 0.340 0.000 0.801 308 A CB 0.079 19.421 19.000 0.570 0.000 1.092 308 A HN 0.912 nan 8.150 nan 0.000 0.504 309 H N -0.463 118.729 119.070 0.204 0.000 2.388 309 H HA 0.256 4.812 4.556 -0.000 0.000 0.304 309 H C 1.424 176.721 175.328 -0.052 0.000 1.049 309 H CA 1.223 57.295 56.048 0.040 0.000 1.371 309 H CB -0.623 29.154 29.762 0.025 0.000 1.436 309 H HN 1.155 nan 8.280 nan 0.000 0.544 310 G N 0.987 109.732 108.800 -0.091 0.000 2.101 310 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.247 310 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.247 310 G C 1.085 175.677 174.900 -0.514 0.000 0.740 310 G CA 0.932 45.754 45.100 -0.464 0.000 1.130 310 G HN 0.737 nan 8.290 nan 0.000 0.342 311 S N 0.819 116.208 115.700 -0.519 0.000 2.436 311 S HA 0.336 4.806 4.470 -0.000 0.000 0.228 311 S C 2.175 176.667 174.600 -0.180 0.000 1.014 311 S CA 1.086 59.022 58.200 -0.440 0.000 0.950 311 S CB 0.196 63.196 63.200 -0.334 0.000 0.784 311 S HN 2.457 nan 8.310 nan 0.000 0.504 312 G N 1.111 109.772 108.800 -0.232 0.000 2.176 312 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.232 312 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.232 312 G C 0.221 175.082 174.900 -0.065 0.000 0.986 312 G CA 0.207 45.212 45.100 -0.158 0.000 0.643 312 G HN 1.174 nan 8.290 nan 0.000 0.522 313 T N -1.877 112.669 114.554 -0.013 0.000 2.874 313 T HA 0.661 5.011 4.350 -0.000 0.000 0.281 313 T C 1.668 176.368 174.700 0.001 0.000 0.994 313 T CA -0.020 62.103 62.100 0.039 0.000 1.015 313 T CB 1.616 70.562 68.868 0.130 0.000 1.028 313 T HN 0.055 nan 8.240 nan 0.000 0.523 314 R N 1.199 121.710 120.500 0.018 0.000 2.070 314 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 314 R C 2.674 178.994 176.300 0.033 0.000 1.138 314 R CA 2.284 58.394 56.100 0.017 0.000 0.936 314 R CB -1.214 29.100 30.300 0.023 0.000 0.839 314 R HN 0.989 nan 8.270 nan 0.000 0.429 315 Q N 0.376 120.205 119.800 0.048 0.000 2.119 315 Q HA -0.116 4.224 4.340 -0.000 0.000 0.201 315 Q C 1.868 177.917 176.000 0.082 0.000 0.972 315 Q CA 1.508 57.348 55.803 0.062 0.000 0.847 315 Q CB -0.408 28.362 28.738 0.054 0.000 0.903 315 Q HN 0.271 nan 8.270 nan 0.000 0.433 316 N N 1.339 120.080 118.700 0.069 0.000 2.062 316 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 316 N C 1.015 176.589 175.510 0.105 0.000 1.042 316 N CA 1.867 54.971 53.050 0.089 0.000 0.845 316 N CB -0.169 38.367 38.487 0.081 0.000 1.024 316 N HN 0.245 nan 8.380 nan 0.000 0.424 317 D N 0.561 120.947 120.400 -0.024 0.000 2.182 317 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 317 D C 1.984 178.412 176.300 0.215 0.000 0.986 317 D CA 0.692 54.655 54.000 -0.062 0.000 0.847 317 D CB -0.318 40.254 40.800 -0.380 0.000 0.942 317 D HN 0.394 nan 8.370 nan 0.000 0.467 318 R N -0.158 120.434 120.500 0.153 0.000 2.073 318 R HA -0.127 4.213 4.340 -0.000 0.000 0.229 318 R C 2.311 178.704 176.300 0.155 0.000 1.120 318 R CA 0.879 57.074 56.100 0.158 0.000 0.967 318 R CB -0.235 30.131 30.300 0.110 0.000 0.862 318 R HN 0.335 nan 8.270 nan 0.000 0.436 319 H N 1.554 120.654 119.070 0.050 0.000 2.267 319 H HA -0.170 4.386 4.556 0.000 0.000 0.297 319 H C 1.684 176.992 175.328 -0.033 0.000 1.080 319 H CA 2.304 58.356 56.048 0.008 0.000 1.278 319 H CB -0.097 29.670 29.762 0.009 0.000 1.365 319 H HN 0.494 nan 8.280 nan 0.000 0.489 320 E N -0.189 120.011 120.200 0.001 0.000 2.204 320 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 320 E C 2.008 178.373 176.600 -0.392 0.000 0.989 320 E CA 1.434 57.657 56.400 -0.295 0.000 0.824 320 E CB -0.340 29.300 29.700 -0.100 0.000 0.756 320 E HN 0.307 nan 8.360 nan 0.000 0.477 321 T N 1.056 115.650 114.554 0.067 0.000 2.746 321 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 321 T C 1.995 176.734 174.700 0.064 0.000 1.039 321 T CA 1.551 63.789 62.100 0.230 0.000 1.142 321 T CB -0.254 68.796 68.868 0.304 0.000 0.866 321 T HN 0.429 nan 8.240 nan 0.000 0.444 322 A N 1.252 124.052 122.820 -0.033 0.000 1.930 322 A HA 0.225 4.545 4.320 -0.000 0.000 0.217 322 A C 2.613 180.115 177.584 -0.137 0.000 1.175 322 A CA 1.686 53.682 52.037 -0.067 0.000 0.627 322 A CB -0.977 17.972 19.000 -0.084 0.000 0.815 322 A HN 0.495 nan 8.150 nan 0.000 0.443 323 A N -1.074 121.570 122.820 -0.292 0.000 1.902 323 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 323 A C 2.058 179.532 177.584 -0.183 0.000 1.181 323 A CA 1.582 53.427 52.037 -0.319 0.000 0.623 323 A CB -0.791 17.910 19.000 -0.497 0.000 0.818 323 A HN 0.546 nan 8.150 nan 0.000 0.443 324 Y N 0.494 120.774 120.300 -0.034 0.000 2.145 324 Y HA -0.172 4.378 4.550 0.000 0.000 0.286 324 Y C 2.369 178.253 175.900 -0.027 0.000 1.145 324 Y CA 1.547 59.632 58.100 -0.024 0.000 1.148 324 Y CB -0.548 37.896 38.460 -0.025 0.000 0.981 324 Y HN 0.295 nan 8.280 nan 0.000 0.507 325 K N -0.150 120.323 120.400 0.122 0.000 2.057 325 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 325 K C 2.282 178.902 176.600 0.033 0.000 1.049 325 K CA 1.443 57.766 56.287 0.060 0.000 0.931 325 K CB -0.230 32.292 32.500 0.036 0.000 0.714 325 K HN 0.168 nan 8.250 nan 0.000 0.440 326 R N 0.602 121.106 120.500 0.007 0.000 2.096 326 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 326 R C 2.070 178.371 176.300 0.002 0.000 1.127 326 R CA 1.408 57.502 56.100 -0.010 0.000 0.968 326 R CB -0.038 30.236 30.300 -0.043 0.000 0.861 326 R HN 0.222 nan 8.270 nan 0.000 0.440 327 A N 0.010 122.841 122.820 0.018 0.000 1.901 327 A HA 0.102 4.422 4.320 -0.000 0.000 0.210 327 A C 1.926 179.541 177.584 0.052 0.000 1.208 327 A CA 0.382 52.437 52.037 0.029 0.000 0.644 327 A CB -0.051 18.969 19.000 0.033 0.000 0.863 327 A HN 0.273 nan 8.150 nan 0.000 0.454 328 L N -0.996 120.279 121.223 0.087 0.000 2.446 328 L HA 0.263 4.603 4.340 -0.000 0.000 0.219 328 L C 1.675 178.603 176.870 0.096 0.000 1.116 328 L CA 0.374 55.280 54.840 0.109 0.000 0.844 328 L CB -0.889 41.257 42.059 0.145 0.000 0.970 328 L HN 0.618 nan 8.230 nan 0.000 0.457 329 G N 1.103 109.942 108.800 0.064 0.000 2.552 329 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.265 329 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.265 329 G C 0.603 175.532 174.900 0.048 0.000 1.234 329 G CA 0.563 45.691 45.100 0.047 0.000 0.944 329 G HN 0.251 nan 8.290 nan 0.000 0.568 330 E N -0.633 119.592 120.200 0.042 0.000 2.273 330 E HA -0.140 4.210 4.350 -0.000 0.000 0.198 330 E C 1.993 178.617 176.600 0.041 0.000 1.002 330 E CA 2.179 58.597 56.400 0.030 0.000 0.828 330 E CB -0.368 29.348 29.700 0.027 0.000 0.747 330 E HN 0.730 nan 8.360 nan 0.000 0.491 331 H N -0.894 118.160 119.070 -0.026 0.000 2.521 331 H HA 0.144 4.700 4.556 -0.000 0.000 0.286 331 H C 1.624 176.919 175.328 -0.054 0.000 1.034 331 H CA 1.308 57.335 56.048 -0.035 0.000 1.278 331 H CB -0.098 29.648 29.762 -0.028 0.000 1.386 331 H HN 0.201 nan 8.280 nan 0.000 0.567 332 A N 0.589 123.347 122.820 -0.104 0.000 1.969 332 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 332 A C 2.239 179.686 177.584 -0.227 0.000 1.169 332 A CA 1.319 53.255 52.037 -0.168 0.000 0.635 332 A CB -0.226 18.755 19.000 -0.032 0.000 0.810 332 A HN 0.477 nan 8.150 nan 0.000 0.445 333 R N -1.114 119.285 120.500 -0.168 0.000 2.313 333 R HA 0.133 4.473 4.340 -0.000 0.000 0.199 333 R C 1.243 177.433 176.300 -0.184 0.000 0.958 333 R CA 0.462 56.461 56.100 -0.168 0.000 1.047 333 R CB 0.050 30.288 30.300 -0.103 0.000 0.955 333 R HN 0.406 nan 8.270 nan 0.000 0.481 334 R N -0.529 119.832 120.500 -0.232 0.000 2.437 334 R HA 0.142 4.482 4.340 -0.000 0.000 0.257 334 R C -0.311 175.814 176.300 -0.292 0.000 0.927 334 R CA 0.209 56.182 56.100 -0.211 0.000 1.078 334 R CB 1.268 31.490 30.300 -0.130 0.000 1.161 334 R HN -0.064 nan 8.270 nan 0.000 0.529 335 T N 2.260 116.578 114.554 -0.392 0.000 2.807 335 T HA 0.352 4.702 4.350 -0.000 0.000 0.279 335 T C -2.659 171.895 174.700 -0.243 0.000 0.993 335 T CA -1.863 60.033 62.100 -0.341 0.000 0.970 335 T CB 2.303 70.882 68.868 -0.481 0.000 0.950 335 T HN -0.197 nan 8.240 nan 0.000 0.441 336 P HA 0.365 nan 4.420 nan 0.000 0.271 336 P C -1.066 176.223 177.300 -0.018 0.000 1.216 336 P CA -0.359 62.711 63.100 -0.050 0.000 0.776 336 P CB 0.550 32.282 31.700 0.053 0.000 0.881 337 V N 2.164 122.031 119.914 -0.078 0.000 2.789 337 V HA 0.736 4.856 4.120 -0.000 0.000 0.311 337 V C -0.280 175.899 176.094 0.140 0.000 1.073 337 V CA -0.426 61.821 62.300 -0.087 0.000 0.921 337 V CB 2.166 33.787 31.823 -0.336 0.000 1.009 337 V HN 0.774 nan 8.190 nan 0.000 0.426 338 S N 1.635 117.497 115.700 0.271 0.000 2.552 338 S HA 0.663 5.133 4.470 -0.000 0.000 0.272 338 S C -1.008 173.801 174.600 0.348 0.000 1.150 338 S CA -0.552 57.852 58.200 0.339 0.000 0.849 338 S CB 1.909 65.296 63.200 0.312 0.000 1.113 338 S HN 0.990 nan 8.310 nan 0.000 0.458 339 S N 1.622 117.521 115.700 0.331 0.000 2.456 339 S HA 0.451 4.921 4.470 -0.000 0.000 0.316 339 S C 1.035 175.716 174.600 0.136 0.000 1.089 339 S CA -0.899 57.433 58.200 0.220 0.000 1.101 339 S CB 0.045 63.333 63.200 0.146 0.000 0.995 339 S HN 1.010 nan 8.310 nan 0.000 0.468 340 I N 2.715 123.360 120.570 0.126 0.000 3.111 340 I HA 0.122 4.292 4.170 -0.000 0.000 0.272 340 I C 1.627 177.781 176.117 0.061 0.000 1.268 340 I CA 0.528 61.888 61.300 0.101 0.000 1.467 340 I CB -0.186 37.906 38.000 0.153 0.000 1.087 340 I HN 0.501 nan 8.210 nan 0.000 0.467 341 K N 1.844 122.250 120.400 0.009 0.000 2.360 341 K HA -0.079 4.241 4.320 -0.000 0.000 0.201 341 K C 2.250 178.842 176.600 -0.012 0.000 1.046 341 K CA 1.466 57.733 56.287 -0.034 0.000 0.945 341 K CB -0.154 32.247 32.500 -0.165 0.000 0.750 341 K HN 0.608 nan 8.250 nan 0.000 0.464 342 S N 0.245 115.945 115.700 -0.000 0.000 2.469 342 S HA -0.097 4.373 4.470 -0.000 0.000 0.238 342 S C 1.802 176.408 174.600 0.011 0.000 0.998 342 S CA 0.970 59.175 58.200 0.008 0.000 0.957 342 S CB -0.087 63.132 63.200 0.031 0.000 0.764 342 S HN 0.230 nan 8.310 nan 0.000 0.514 343 M N 0.606 120.215 119.600 0.016 0.000 2.838 343 M HA 0.210 4.690 4.480 -0.000 0.000 0.251 343 M C 1.700 178.018 176.300 0.031 0.000 1.393 343 M CA 0.591 55.897 55.300 0.010 0.000 1.196 343 M CB 0.458 33.055 32.600 -0.005 0.000 1.276 343 M HN 0.302 nan 8.290 nan 0.000 0.541 344 V N -1.831 118.124 119.914 0.068 0.000 3.542 344 V HA 0.574 4.694 4.120 -0.000 0.000 0.296 344 V C 0.754 176.894 176.094 0.078 0.000 1.364 344 V CA 0.153 62.514 62.300 0.102 0.000 1.118 344 V CB -1.228 30.713 31.823 0.197 0.000 0.972 344 V HN 0.588 nan 8.190 nan 0.000 0.430 345 G N 0.934 109.765 108.800 0.052 0.000 2.750 345 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.228 345 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.228 345 G C -0.473 174.472 174.900 0.075 0.000 1.367 345 G CA 0.292 45.428 45.100 0.060 0.000 0.871 345 G HN 1.119 nan 8.290 nan 0.000 0.560 346 H N 0.878 119.915 119.070 -0.055 0.000 2.690 346 H HA 0.587 5.143 4.556 0.000 0.000 0.280 346 H C 1.432 176.659 175.328 -0.169 0.000 1.138 346 H CA -0.134 55.795 56.048 -0.199 0.000 1.241 346 H CB 0.201 29.673 29.762 -0.483 0.000 1.394 346 H HN 0.759 nan 8.280 nan 0.000 0.489 347 S N 5.288 121.066 115.700 0.130 0.000 2.763 347 S HA 0.161 4.631 4.470 -0.000 0.000 0.237 347 S C 1.288 175.852 174.600 -0.060 0.000 0.966 347 S CA -0.185 58.020 58.200 0.009 0.000 1.017 347 S CB -0.703 62.520 63.200 0.039 0.000 0.780 347 S HN 0.702 nan 8.310 nan 0.000 0.476 348 L N -0.289 120.793 121.223 -0.234 0.000 5.154 348 L HA -0.347 3.993 4.340 -0.000 0.000 0.053 348 L C 2.214 179.060 176.870 -0.041 0.000 3.137 348 L CA 1.486 56.149 54.840 -0.295 0.000 1.466 348 L CB -2.075 39.821 42.059 -0.272 0.000 2.980 348 L HN 0.465 nan 8.230 nan 0.000 0.938 349 G N -1.264 107.502 108.800 -0.057 0.000 2.509 349 G HA2 0.134 4.094 3.960 -0.000 0.000 0.218 349 G HA3 0.134 4.094 3.960 -0.000 0.000 0.218 349 G C 1.335 176.236 174.900 0.002 0.000 1.124 349 G CA 1.318 46.402 45.100 -0.028 0.000 0.776 349 G HN 0.830 nan 8.290 nan 0.000 0.547 350 A N 0.360 123.184 122.820 0.007 0.000 1.984 350 A HA 0.271 4.591 4.320 -0.000 0.000 0.214 350 A C 2.148 179.771 177.584 0.065 0.000 1.173 350 A CA 0.681 52.734 52.037 0.027 0.000 0.673 350 A CB -0.183 18.823 19.000 0.010 0.000 0.830 350 A HN 0.272 nan 8.150 nan 0.000 0.453 351 I N 0.905 121.528 120.570 0.089 0.000 2.248 351 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 351 I C 2.281 178.473 176.117 0.125 0.000 1.107 351 I CA 1.470 62.837 61.300 0.111 0.000 1.373 351 I CB -0.593 37.475 38.000 0.113 0.000 1.055 351 I HN 0.253 nan 8.210 nan 0.000 0.418 352 G N -1.251 107.622 108.800 0.122 0.000 2.440 352 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 352 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 352 G C 1.746 176.738 174.900 0.152 0.000 1.154 352 G CA 1.011 46.189 45.100 0.130 0.000 0.767 352 G HN 0.463 nan 8.290 nan 0.000 0.552 353 S N -0.001 115.797 115.700 0.163 0.000 2.414 353 S HA 0.083 4.553 4.470 -0.000 0.000 0.227 353 S C 2.242 177.019 174.600 0.293 0.000 1.022 353 S CA 0.126 58.492 58.200 0.276 0.000 0.958 353 S CB -0.083 63.264 63.200 0.245 0.000 0.797 353 S HN 0.131 nan 8.310 nan 0.000 0.493 354 L N 1.985 123.309 121.223 0.168 0.000 2.046 354 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 354 L C 2.263 179.327 176.870 0.324 0.000 1.077 354 L CA 1.750 56.677 54.840 0.145 0.000 0.747 354 L CB -1.439 40.685 42.059 0.109 0.000 0.896 354 L HN 0.399 nan 8.230 nan 0.000 0.432 355 E N -0.279 120.087 120.200 0.278 0.000 2.110 355 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 355 E C 2.327 179.087 176.600 0.268 0.000 0.988 355 E CA 0.883 57.451 56.400 0.279 0.000 0.804 355 E CB -0.043 29.779 29.700 0.204 0.000 0.745 355 E HN 0.439 nan 8.360 nan 0.000 0.458 356 I N 0.975 121.682 120.570 0.228 0.000 2.226 356 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 356 I C 2.485 178.730 176.117 0.213 0.000 1.100 356 I CA 0.899 62.265 61.300 0.110 0.000 1.374 356 I CB -0.226 37.702 38.000 -0.120 0.000 1.057 356 I HN 0.097 nan 8.210 nan 0.000 0.413 357 A N 0.665 123.777 122.820 0.486 0.000 1.877 357 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 357 A C 2.548 180.387 177.584 0.425 0.000 1.186 357 A CA 1.786 54.134 52.037 0.518 0.000 0.620 357 A CB -0.905 18.331 19.000 0.393 0.000 0.822 357 A HN 0.416 nan 8.150 nan 0.000 0.443 358 A N -1.034 122.106 122.820 0.534 0.000 1.940 358 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 358 A C 2.293 180.051 177.584 0.290 0.000 1.176 358 A CA 1.762 54.074 52.037 0.458 0.000 0.631 358 A CB -1.279 17.999 19.000 0.464 0.000 0.814 358 A HN 0.605 nan 8.150 nan 0.000 0.446 359 C N -1.400 118.064 119.300 0.273 0.000 2.446 359 C HA -0.046 4.414 4.460 -0.000 0.000 0.277 359 C C 2.748 177.803 174.990 0.108 0.000 1.275 359 C CA 1.010 60.166 59.018 0.229 0.000 1.727 359 C CB -1.196 26.649 27.740 0.175 0.000 2.010 359 C HN 0.475 nan 8.230 nan 0.000 0.486 360 V N 1.043 121.002 119.914 0.076 0.000 2.343 360 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 360 V C 2.307 178.367 176.094 -0.056 0.000 1.051 360 V CA 1.867 64.187 62.300 0.034 0.000 1.036 360 V CB -0.643 31.226 31.823 0.076 0.000 0.654 360 V HN 0.550 nan 8.190 nan 0.000 0.451 361 L N 0.037 121.162 121.223 -0.163 0.000 2.083 361 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 361 L C 2.714 179.155 176.870 -0.716 0.000 1.083 361 L CA 1.420 55.937 54.840 -0.538 0.000 0.752 361 L CB -0.788 40.721 42.059 -0.917 0.000 0.899 361 L HN 0.358 nan 8.230 nan 0.000 0.433 362 A N 0.206 122.761 122.820 -0.442 0.000 1.902 362 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 362 A C 2.254 179.823 177.584 -0.024 0.000 1.181 362 A CA 1.359 53.347 52.037 -0.081 0.000 0.623 362 A CB -0.688 18.383 19.000 0.117 0.000 0.818 362 A HN 0.346 nan 8.150 nan 0.000 0.443 363 L N -0.796 120.411 121.223 -0.027 0.000 2.131 363 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 363 L C 2.676 179.505 176.870 -0.069 0.000 1.092 363 L CA 1.843 56.674 54.840 -0.016 0.000 0.759 363 L CB -0.358 41.699 42.059 -0.003 0.000 0.903 363 L HN 0.648 nan 8.230 nan 0.000 0.435 364 E N -0.151 119.958 120.200 -0.152 0.000 2.021 364 E HA -0.196 4.154 4.350 -0.000 0.000 0.189 364 E C 1.662 178.076 176.600 -0.310 0.000 0.980 364 E CA 1.107 57.343 56.400 -0.273 0.000 0.803 364 E CB 0.024 29.472 29.700 -0.421 0.000 0.766 364 E HN 0.576 nan 8.360 nan 0.000 0.449 365 H N -0.874 118.130 119.070 -0.110 0.000 2.539 365 H HA 0.256 4.812 4.556 -0.000 0.000 0.267 365 H C 0.740 176.125 175.328 0.095 0.000 0.982 365 H CA 0.493 56.558 56.048 0.030 0.000 1.146 365 H CB 0.645 30.503 29.762 0.160 0.000 1.382 365 H HN 0.382 nan 8.280 nan 0.000 0.577 366 G N 1.043 109.919 108.800 0.127 0.000 2.395 366 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.300 366 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.300 366 G C -0.411 174.573 174.900 0.139 0.000 0.998 366 G CA 0.627 45.789 45.100 0.103 0.000 1.046 366 G HN 0.290 nan 8.290 nan 0.000 0.513 367 V N -0.573 119.479 119.914 0.230 0.000 2.760 367 V HA 0.551 4.671 4.120 -0.000 0.000 0.309 367 V C 0.207 176.361 176.094 0.099 0.000 1.077 367 V CA -0.976 61.432 62.300 0.180 0.000 0.910 367 V CB 2.350 34.321 31.823 0.246 0.000 1.008 367 V HN 0.234 nan 8.190 nan 0.000 0.424 368 V N 6.451 126.303 119.914 -0.104 0.000 2.350 368 V HA 0.351 4.471 4.120 -0.000 0.000 0.276 368 V C -2.274 173.663 176.094 -0.262 0.000 1.028 368 V CA -1.876 60.228 62.300 -0.326 0.000 0.860 368 V CB 1.623 33.222 31.823 -0.373 0.000 0.990 368 V HN 0.736 nan 8.190 nan 0.000 0.453 369 P HA 0.208 nan 4.420 nan 0.000 0.269 369 P C -2.523 174.718 177.300 -0.099 0.000 1.209 369 P CA -0.856 62.120 63.100 -0.207 0.000 0.776 369 P CB 0.263 31.890 31.700 -0.121 0.000 0.876 370 P HA 0.187 nan 4.420 nan 0.000 0.283 370 P C -0.905 176.421 177.300 0.042 0.000 1.278 370 P CA -0.370 62.722 63.100 -0.014 0.000 0.834 370 P CB 0.818 32.495 31.700 -0.039 0.000 1.150 371 T N 0.639 115.248 114.554 0.091 0.000 2.811 371 T HA 0.473 4.823 4.350 -0.000 0.000 0.309 371 T C 0.423 175.173 174.700 0.083 0.000 1.005 371 T CA -0.145 62.031 62.100 0.126 0.000 0.955 371 T CB -0.145 68.857 68.868 0.222 0.000 0.970 371 T HN 0.472 nan 8.240 nan 0.000 0.496 372 A N 3.608 126.460 122.820 0.054 0.000 2.425 372 A HA 0.430 4.750 4.320 -0.000 0.000 0.242 372 A C 1.064 178.687 177.584 0.064 0.000 1.077 372 A CA -0.459 51.607 52.037 0.049 0.000 0.781 372 A CB -0.072 18.951 19.000 0.038 0.000 1.020 372 A HN 0.891 nan 8.150 nan 0.000 0.494 373 N N -2.040 116.702 118.700 0.071 0.000 2.800 373 N HA -0.153 4.587 4.740 -0.000 0.000 0.250 373 N C -0.534 175.004 175.510 0.046 0.000 1.078 373 N CA 1.067 54.158 53.050 0.067 0.000 0.804 373 N CB -1.372 37.171 38.487 0.093 0.000 1.135 373 N HN 0.585 nan 8.380 nan 0.000 0.565 374 L N 1.520 122.776 121.223 0.054 0.000 2.315 374 L HA 0.258 4.598 4.340 -0.000 0.000 0.278 374 L C 1.298 178.197 176.870 0.047 0.000 1.088 374 L CA 0.239 55.117 54.840 0.064 0.000 0.899 374 L CB 0.245 42.367 42.059 0.104 0.000 1.277 374 L HN 0.029 nan 8.230 nan 0.000 0.431 375 R N 1.069 121.587 120.500 0.030 0.000 2.316 375 R HA 0.202 4.542 4.340 -0.000 0.000 0.201 375 R C 0.048 176.362 176.300 0.023 0.000 0.888 375 R CA 0.635 56.745 56.100 0.017 0.000 1.041 375 R CB 0.554 30.851 30.300 -0.006 0.000 1.115 375 R HN 0.637 nan 8.270 nan 0.000 0.559 376 T N -0.140 114.431 114.554 0.030 0.000 2.809 376 T HA 0.318 4.668 4.350 -0.000 0.000 0.284 376 T C 0.076 174.806 174.700 0.050 0.000 0.992 376 T CA -0.737 61.382 62.100 0.032 0.000 0.957 376 T CB 1.809 70.691 68.868 0.022 0.000 0.942 376 T HN 0.080 nan 8.240 nan 0.000 0.439 377 S N 2.959 118.693 115.700 0.057 0.000 2.585 377 S HA 0.322 4.792 4.470 -0.000 0.000 0.273 377 S C -0.331 174.314 174.600 0.074 0.000 1.339 377 S CA -0.713 57.535 58.200 0.081 0.000 1.028 377 S CB 0.840 64.087 63.200 0.078 0.000 0.906 377 S HN 0.843 nan 8.310 nan 0.000 0.528 378 D N 1.600 122.058 120.400 0.096 0.000 2.308 378 D HA 0.391 5.031 4.640 -0.000 0.000 0.242 378 D C -1.924 174.435 176.300 0.097 0.000 1.059 378 D CA -2.295 51.756 54.000 0.085 0.000 0.830 378 D CB 1.952 42.803 40.800 0.085 0.000 1.161 378 D HN 0.183 nan 8.370 nan 0.000 0.494 379 P HA -0.110 nan 4.420 nan 0.000 0.217 379 P C 0.507 177.854 177.300 0.080 0.000 1.148 379 P CA 1.156 64.296 63.100 0.067 0.000 0.828 379 P CB 0.361 32.090 31.700 0.048 0.000 0.783 380 E N -2.156 118.097 120.200 0.088 0.000 2.481 380 E HA 0.021 4.371 4.350 -0.000 0.000 0.195 380 E C -0.055 176.634 176.600 0.148 0.000 1.047 380 E CA 0.217 56.675 56.400 0.097 0.000 0.867 380 E CB -0.102 29.648 29.700 0.083 0.000 0.858 380 E HN 0.199 nan 8.360 nan 0.000 0.513 381 C N 2.536 121.948 119.300 0.186 0.000 3.169 381 C HA 0.133 4.593 4.460 -0.000 0.000 0.232 381 C C 0.441 175.645 174.990 0.356 0.000 1.316 381 C CA -0.968 58.234 59.018 0.307 0.000 1.545 381 C CB -0.575 27.320 27.740 0.257 0.000 1.785 381 C HN 0.374 nan 8.230 nan 0.000 0.454 382 D N -0.002 120.524 120.400 0.210 0.000 2.336 382 D HA 0.088 4.728 4.640 -0.000 0.000 0.228 382 D C 0.582 176.858 176.300 -0.040 0.000 1.120 382 D CA 0.038 54.099 54.000 0.102 0.000 0.839 382 D CB 0.157 40.989 40.800 0.053 0.000 0.932 382 D HN 0.455 nan 8.370 nan 0.000 0.509 383 L N -0.404 120.700 121.223 -0.199 0.000 2.567 383 L HA 0.288 4.628 4.340 -0.000 0.000 0.238 383 L C 0.390 176.737 176.870 -0.870 0.000 1.168 383 L CA -0.862 53.637 54.840 -0.569 0.000 0.817 383 L CB 0.366 42.013 42.059 -0.686 0.000 1.409 383 L HN -0.126 nan 8.230 nan 0.000 0.502 384 D N -0.907 119.031 120.400 -0.771 0.000 2.396 384 D HA 0.153 4.793 4.640 -0.000 0.000 0.225 384 D C -0.414 175.494 176.300 -0.653 0.000 1.121 384 D CA -0.140 53.532 54.000 -0.547 0.000 0.853 384 D CB 0.443 41.061 40.800 -0.305 0.000 1.043 384 D HN 0.213 nan 8.370 nan 0.000 0.500 385 Y N 2.313 122.516 120.300 -0.162 0.000 2.583 385 Y HA 0.178 4.728 4.550 0.000 0.000 0.294 385 Y C 1.012 176.890 175.900 -0.037 0.000 1.170 385 Y CA -0.641 57.363 58.100 -0.160 0.000 1.265 385 Y CB -0.043 38.287 38.460 -0.217 0.000 1.119 385 Y HN 0.145 nan 8.280 nan 0.000 0.522 386 V N 1.046 120.980 119.914 0.034 0.000 5.915 386 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 386 V C -2.339 173.791 176.094 0.060 0.000 0.647 386 V CA -0.582 61.736 62.300 0.030 0.000 0.573 386 V CB -1.631 30.207 31.823 0.025 0.000 0.266 386 V HN 0.277 nan 8.190 nan 0.000 0.580 387 P HA 0.306 nan 4.420 nan 0.000 0.268 387 P C 1.306 178.625 177.300 0.031 0.000 1.205 387 P CA 0.339 63.481 63.100 0.070 0.000 0.771 387 P CB 1.463 33.209 31.700 0.076 0.000 0.858 388 L N -1.533 119.708 121.223 0.029 0.000 4.775 388 L HA -0.304 4.036 4.340 -0.000 0.000 0.388 388 L C 0.927 177.786 176.870 -0.018 0.000 1.571 388 L CA 1.744 56.588 54.840 0.007 0.000 2.261 388 L CB -1.552 40.509 42.059 0.003 0.000 1.390 388 L HN 0.442 nan 8.230 nan 0.000 0.654 389 E N 0.493 120.678 120.200 -0.024 0.000 2.166 389 E HA 0.618 4.968 4.350 -0.000 0.000 0.275 389 E C 0.015 176.578 176.600 -0.061 0.000 0.941 389 E CA 0.177 56.550 56.400 -0.045 0.000 0.784 389 E CB 1.584 31.262 29.700 -0.037 0.000 1.115 389 E HN 0.277 nan 8.360 nan 0.000 0.399 390 A N 4.280 127.044 122.820 -0.094 0.000 2.406 390 A HA 0.337 4.657 4.320 -0.000 0.000 0.243 390 A C -0.216 177.313 177.584 -0.091 0.000 1.082 390 A CA 0.073 52.037 52.037 -0.122 0.000 0.786 390 A CB 0.442 19.330 19.000 -0.187 0.000 1.029 390 A HN 0.704 nan 8.150 nan 0.000 0.495 391 R N 0.313 120.759 120.500 -0.091 0.000 2.621 391 R HA 0.362 4.702 4.340 -0.000 0.000 0.292 391 R C -0.728 175.543 176.300 -0.049 0.000 0.969 391 R CA -0.602 55.460 56.100 -0.063 0.000 0.887 391 R CB 2.042 32.308 30.300 -0.057 0.000 1.180 391 R HN 0.887 nan 8.270 nan 0.000 0.450 392 E N 3.514 123.698 120.200 -0.027 0.000 2.223 392 E HA 0.178 4.528 4.350 -0.000 0.000 0.282 392 E C -0.797 175.802 176.600 -0.002 0.000 1.046 392 E CA -0.265 56.134 56.400 -0.002 0.000 0.857 392 E CB 0.870 30.572 29.700 0.003 0.000 1.055 392 E HN 0.393 nan 8.360 nan 0.000 0.409 393 R N 3.440 123.944 120.500 0.008 0.000 2.594 393 R HA 0.210 4.550 4.340 -0.000 0.000 0.265 393 R C -1.492 174.821 176.300 0.022 0.000 1.070 393 R CA -0.896 55.209 56.100 0.007 0.000 0.909 393 R CB 0.943 31.238 30.300 -0.007 0.000 1.243 393 R HN 0.276 nan 8.270 nan 0.000 0.455 394 K N 3.612 124.026 120.400 0.022 0.000 2.310 394 K HA 0.270 4.590 4.320 -0.000 0.000 0.290 394 K C -0.631 175.989 176.600 0.033 0.000 1.077 394 K CA -0.209 56.093 56.287 0.025 0.000 0.922 394 K CB 0.467 32.978 32.500 0.019 0.000 1.057 394 K HN 0.251 nan 8.250 nan 0.000 0.479 395 L N 3.940 125.186 121.223 0.038 0.000 2.282 395 L HA 0.406 4.746 4.340 -0.000 0.000 0.288 395 L C 0.989 177.883 176.870 0.040 0.000 1.033 395 L CA -0.143 54.731 54.840 0.056 0.000 0.807 395 L CB 1.288 43.395 42.059 0.080 0.000 1.209 395 L HN 0.578 nan 8.230 nan 0.000 0.423 396 R N 0.575 121.099 120.500 0.040 0.000 2.167 396 R HA 0.249 4.589 4.340 -0.000 0.000 0.195 396 R C -0.061 176.252 176.300 0.022 0.000 1.027 396 R CA 0.360 56.473 56.100 0.021 0.000 1.114 396 R CB 0.435 30.743 30.300 0.013 0.000 1.075 396 R HN 0.583 nan 8.270 nan 0.000 0.538 397 S N 0.325 116.046 115.700 0.035 0.000 2.594 397 S HA 0.555 5.024 4.470 -0.000 0.000 0.296 397 S C -1.013 173.619 174.600 0.054 0.000 1.124 397 S CA -0.849 57.368 58.200 0.029 0.000 1.011 397 S CB 2.140 65.347 63.200 0.013 0.000 1.016 397 S HN 0.101 nan 8.310 nan 0.000 0.485 398 V N 1.456 121.400 119.914 0.050 0.000 2.960 398 V HA 0.895 5.015 4.120 -0.000 0.000 0.315 398 V C -1.018 175.074 176.094 -0.003 0.000 1.087 398 V CA -1.026 61.302 62.300 0.048 0.000 0.982 398 V CB 1.687 33.584 31.823 0.124 0.000 1.039 398 V HN 0.710 nan 8.190 nan 0.000 0.437 399 L N 2.196 123.382 121.223 -0.062 0.000 2.362 399 L HA 0.918 5.258 4.340 -0.000 0.000 0.271 399 L C -0.251 176.577 176.870 -0.070 0.000 1.002 399 L CA 0.230 55.045 54.840 -0.042 0.000 0.818 399 L CB 2.100 44.147 42.059 -0.020 0.000 1.298 399 L HN 1.131 nan 8.230 nan 0.000 0.420 400 T N 4.359 118.916 114.554 0.005 0.000 2.916 400 T HA 0.735 5.085 4.350 -0.000 0.000 0.298 400 T C -1.139 173.616 174.700 0.091 0.000 1.031 400 T CA -0.080 62.043 62.100 0.037 0.000 0.993 400 T CB 1.013 69.913 68.868 0.052 0.000 1.045 400 T HN 0.801 nan 8.240 nan 0.000 0.454 401 V N 1.528 121.523 119.914 0.134 0.000 3.155 401 V HA 1.121 5.241 4.120 -0.000 0.000 0.313 401 V C 0.019 176.184 176.094 0.118 0.000 1.162 401 V CA -0.578 61.795 62.300 0.123 0.000 1.048 401 V CB 1.585 33.491 31.823 0.139 0.000 1.092 401 V HN 1.236 nan 8.190 nan 0.000 0.447 402 G N -0.086 108.717 108.800 0.005 0.000 2.703 402 G HA2 0.639 4.599 3.960 -0.000 0.000 0.294 402 G HA3 0.639 4.599 3.960 -0.000 0.000 0.294 402 G C -1.372 173.297 174.900 -0.384 0.000 1.451 402 G CA -0.428 44.543 45.100 -0.215 0.000 0.869 402 G HN 1.019 nan 8.290 nan 0.000 0.516 403 S N -1.175 113.994 115.700 -0.884 0.000 2.536 403 S HA 0.913 5.383 4.470 -0.000 0.000 0.287 403 S C 0.043 174.509 174.600 -0.225 0.000 1.101 403 S CA -0.276 57.699 58.200 -0.375 0.000 0.950 403 S CB 2.031 65.074 63.200 -0.261 0.000 1.056 403 S HN 1.380 nan 8.310 nan 0.000 0.481 404 G N 0.887 109.719 108.800 0.054 0.000 2.660 404 G HA2 0.660 4.620 3.960 -0.000 0.000 0.294 404 G HA3 0.660 4.620 3.960 -0.000 0.000 0.294 404 G C -1.177 173.941 174.900 0.363 0.000 1.369 404 G CA -0.697 44.486 45.100 0.139 0.000 0.912 404 G HN 0.399 nan 8.290 nan 0.000 0.479 405 F N 0.520 120.590 119.950 0.200 0.000 2.629 405 F HA 0.373 4.900 4.527 0.000 0.000 0.369 405 F C 1.712 177.639 175.800 0.212 0.000 1.125 405 F CA 1.177 59.287 58.000 0.183 0.000 1.330 405 F CB 0.833 39.936 39.000 0.172 0.000 1.071 405 F HN 1.119 nan 8.300 nan 0.000 0.595 406 G N 0.591 109.541 108.800 0.250 0.000 2.238 406 G HA2 0.075 4.035 3.960 -0.000 0.000 0.217 406 G HA3 0.075 4.035 3.960 -0.000 0.000 0.217 406 G C 0.924 175.702 174.900 -0.204 0.000 0.996 406 G CA 0.252 45.357 45.100 0.009 0.000 0.632 406 G HN 1.875 nan 8.290 nan 0.000 0.503 407 G N -1.012 107.760 108.800 -0.047 0.000 2.163 407 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.213 407 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.213 407 G C 0.281 175.128 174.900 -0.088 0.000 0.991 407 G CA 0.232 45.293 45.100 -0.064 0.000 0.653 407 G HN 1.185 nan 8.290 nan 0.000 0.518 408 F N 1.654 121.641 119.950 0.062 0.000 2.538 408 F HA 0.494 5.021 4.527 -0.000 0.000 0.371 408 F C 0.881 176.686 175.800 0.008 0.000 1.087 408 F CA 0.351 58.373 58.000 0.036 0.000 1.250 408 F CB 0.847 39.870 39.000 0.039 0.000 1.110 408 F HN 0.006 nan 8.300 nan 0.000 0.570 409 Q N 2.810 122.729 119.800 0.197 0.000 2.292 409 Q HA 0.481 4.821 4.340 -0.000 0.000 0.270 409 Q C -1.083 174.955 176.000 0.064 0.000 1.024 409 Q CA -0.637 55.222 55.803 0.094 0.000 0.768 409 Q CB 2.182 30.964 28.738 0.073 0.000 1.250 409 Q HN 0.576 nan 8.270 nan 0.000 0.447 410 S N 0.734 116.454 115.700 0.033 0.000 2.548 410 S HA 0.945 5.415 4.470 -0.000 0.000 0.286 410 S C -1.102 173.500 174.600 0.002 0.000 1.098 410 S CA -0.702 57.501 58.200 0.004 0.000 0.930 410 S CB 2.014 65.271 63.200 0.095 0.000 1.070 410 S HN 0.660 nan 8.310 nan 0.000 0.480 411 A N 2.320 125.107 122.820 -0.055 0.000 2.486 411 A HA 0.871 5.191 4.320 -0.000 0.000 0.300 411 A C -1.059 176.540 177.584 0.024 0.000 1.048 411 A CA -0.604 51.433 52.037 -0.000 0.000 0.696 411 A CB 1.570 20.561 19.000 -0.015 0.000 1.278 411 A HN 0.826 nan 8.150 nan 0.000 0.405 412 M N 2.419 122.070 119.600 0.085 0.000 2.446 412 M HA 0.665 5.145 4.480 -0.000 0.000 0.294 412 M C -2.008 174.324 176.300 0.053 0.000 1.158 412 M CA -0.574 54.795 55.300 0.115 0.000 0.899 412 M CB 2.136 34.829 32.600 0.155 0.000 1.687 412 M HN 0.445 nan 8.290 nan 0.000 0.455 413 V N 5.196 125.133 119.914 0.038 0.000 2.459 413 V HA 0.605 4.725 4.120 -0.000 0.000 0.295 413 V C -0.947 175.144 176.094 -0.005 0.000 1.029 413 V CA -0.627 61.681 62.300 0.012 0.000 0.874 413 V CB 1.680 33.506 31.823 0.004 0.000 0.985 413 V HN 0.752 nan 8.190 nan 0.000 0.438 414 L N 5.645 126.863 121.223 -0.009 0.000 2.370 414 L HA 0.816 5.156 4.340 -0.000 0.000 0.266 414 L C -0.112 176.748 176.870 -0.016 0.000 1.002 414 L CA -0.457 54.369 54.840 -0.025 0.000 0.818 414 L CB 1.983 44.026 42.059 -0.027 0.000 1.325 414 L HN 0.775 nan 8.230 nan 0.000 0.418 415 R N -0.173 120.306 120.500 -0.034 0.000 2.774 415 R HA 0.598 4.938 4.340 -0.000 0.000 0.272 415 R C -1.612 174.667 176.300 -0.035 0.000 1.000 415 R CA -0.805 55.278 56.100 -0.029 0.000 0.906 415 R CB 1.774 32.048 30.300 -0.043 0.000 1.227 415 R HN 0.646 nan 8.270 nan 0.000 0.468 416 D N 1.331 121.716 120.400 -0.025 0.000 2.384 416 D HA 0.243 4.883 4.640 -0.000 0.000 0.244 416 D C 1.268 177.548 176.300 -0.033 0.000 1.251 416 D CA -0.097 53.887 54.000 -0.028 0.000 0.961 416 D CB 0.584 41.369 40.800 -0.025 0.000 1.116 416 D HN 0.607 nan 8.370 nan 0.000 0.484 417 A N -0.109 122.696 122.820 -0.025 0.000 1.883 417 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 417 A C 2.019 179.608 177.584 0.008 0.000 1.186 417 A CA 2.163 54.201 52.037 0.000 0.000 0.624 417 A CB -1.172 17.832 19.000 0.007 0.000 0.822 417 A HN 0.833 nan 8.150 nan 0.000 0.444 418 E N -0.795 119.403 120.200 -0.003 0.000 2.033 418 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 418 E C 1.993 178.592 176.600 -0.002 0.000 1.011 418 E CA 2.058 58.459 56.400 0.001 0.000 0.815 418 E CB -0.340 29.356 29.700 -0.007 0.000 0.755 418 E HN 0.523 nan 8.360 nan 0.000 0.451 419 T N 0.597 115.143 114.554 -0.014 0.000 2.803 419 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 419 T C 1.763 176.443 174.700 -0.034 0.000 1.052 419 T CA 1.210 63.298 62.100 -0.020 0.000 1.136 419 T CB -0.329 68.526 68.868 -0.022 0.000 0.864 419 T HN 0.389 nan 8.240 nan 0.000 0.467 420 A N 1.432 124.221 122.820 -0.052 0.000 1.873 420 A HA 0.163 4.483 4.320 -0.000 0.000 0.215 420 A C 2.671 180.233 177.584 -0.037 0.000 1.186 420 A CA 1.681 53.653 52.037 -0.109 0.000 0.616 420 A CB -1.321 17.558 19.000 -0.201 0.000 0.823 420 A HN 0.505 nan 8.150 nan 0.000 0.442 421 G N -0.837 107.991 108.800 0.046 0.000 2.448 421 G HA2 0.084 4.044 3.960 -0.000 0.000 0.219 421 G HA3 0.084 4.044 3.960 -0.000 0.000 0.219 421 G C 1.410 176.343 174.900 0.055 0.000 1.127 421 G CA 1.165 46.327 45.100 0.102 0.000 0.766 421 G HN 0.839 nan 8.290 nan 0.000 0.552 422 A N -0.102 122.732 122.820 0.022 0.000 2.218 422 A HA 0.745 5.065 4.320 -0.000 0.000 0.209 422 A C 1.615 179.202 177.584 0.004 0.000 1.168 422 A CA 0.914 52.958 52.037 0.012 0.000 0.804 422 A CB -0.160 18.842 19.000 0.004 0.000 0.834 422 A HN 0.633 nan 8.150 nan 0.000 0.482 423 A N 0.000 122.818 122.820 -0.004 0.000 2.254 423 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 423 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 423 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 423 A HN 0.000 nan 8.150 nan 0.000 0.486