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 1nb6_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINPLSNSL LRHHNMVYAT TSRSASLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSIEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSRAVNHIR SVWEDLLEDT ETPIDTTIMA KSEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQAVMGSS YGFQYSPKQR DATA SEQUENCE VEFLVNTWKS KKCPMGFSYD TRCFDSTVTE SDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIRSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAT DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAAALRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPINSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFTLHSYSPG EINRVASCLR KLGVPPLRTW DATA SEQUENCE RHRARSVRAK LLSQGGRAAT CGRYLFNWAV RTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHSLSR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.566 174.600 -0.057 0.000 1.055 1 S CA 0.000 58.175 58.200 -0.041 0.000 1.107 1 S CB 0.000 63.170 63.200 -0.050 0.000 0.593 2 M N 3.729 123.284 119.600 -0.075 0.000 2.211 2 M HA 0.326 4.805 4.480 -0.000 0.000 0.356 2 M C 1.871 178.045 176.300 -0.210 0.000 1.216 2 M CA -0.296 54.939 55.300 -0.109 0.000 1.134 2 M CB 0.886 33.441 32.600 -0.075 0.000 1.564 2 M HN 1.045 nan 8.290 nan 0.000 0.463 3 S N 2.265 117.772 115.700 -0.322 0.000 2.423 3 S HA -0.050 4.420 4.470 -0.000 0.000 0.231 3 S C 0.085 174.275 174.600 -0.683 0.000 1.014 3 S CA 0.845 58.748 58.200 -0.495 0.000 0.965 3 S CB -0.136 62.706 63.200 -0.597 0.000 0.785 3 S HN 0.646 nan 8.310 nan 0.000 0.495 4 Y N -0.494 119.613 120.300 -0.323 0.000 2.597 4 Y HA 0.593 5.143 4.550 -0.000 0.000 0.340 4 Y C -0.278 175.276 175.900 -0.577 0.000 1.097 4 Y CA -1.050 56.728 58.100 -0.537 0.000 1.037 4 Y CB 1.988 39.941 38.460 -0.845 0.000 1.305 4 Y HN -0.159 nan 8.280 nan 0.000 0.463 5 T N 1.187 115.425 114.554 -0.527 0.000 2.881 5 T HA 0.406 4.756 4.350 -0.000 0.000 0.290 5 T C -1.633 172.781 174.700 -0.477 0.000 1.000 5 T CA -0.815 61.072 62.100 -0.356 0.000 0.978 5 T CB 0.646 69.433 68.868 -0.135 0.000 0.997 5 T HN 0.458 nan 8.240 nan 0.000 0.443 6 W N 1.422 122.772 121.300 0.083 0.000 2.632 6 W HA 0.404 5.065 4.660 0.000 0.000 0.328 6 W C 1.336 177.881 176.519 0.044 0.000 1.044 6 W CA -0.966 56.414 57.345 0.059 0.000 1.225 6 W CB 1.214 30.694 29.460 0.032 0.000 1.396 6 W HN 0.744 nan 8.180 nan 0.000 0.499 7 T N -1.614 113.101 114.554 0.268 0.000 3.107 7 T HA 0.332 4.682 4.350 -0.000 0.000 0.249 7 T C 1.428 176.211 174.700 0.139 0.000 1.096 7 T CA 0.612 62.807 62.100 0.159 0.000 1.012 7 T CB 0.048 68.987 68.868 0.119 0.000 0.977 7 T HN 1.081 nan 8.240 nan 0.000 0.527 8 G N 1.400 110.299 108.800 0.164 0.000 2.308 8 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.221 8 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.221 8 G C 0.480 175.412 174.900 0.054 0.000 1.032 8 G CA -0.197 44.955 45.100 0.086 0.000 0.623 8 G HN 1.181 nan 8.290 nan 0.000 0.506 9 A N 0.952 123.815 122.820 0.072 0.000 2.520 9 A HA 0.577 4.897 4.320 -0.000 0.000 0.235 9 A C 0.545 178.147 177.584 0.029 0.000 1.065 9 A CA 0.488 52.554 52.037 0.048 0.000 0.764 9 A CB 0.118 19.154 19.000 0.060 0.000 1.002 9 A HN 1.064 nan 8.150 nan 0.000 0.502 10 L N 2.180 123.404 121.223 0.003 0.000 2.418 10 L HA 0.283 4.623 4.340 -0.000 0.000 0.265 10 L C 0.339 177.199 176.870 -0.017 0.000 1.143 10 L CA -0.386 54.437 54.840 -0.028 0.000 0.809 10 L CB 0.081 42.123 42.059 -0.029 0.000 1.124 10 L HN 0.435 nan 8.230 nan 0.000 0.456 11 I N 1.399 121.939 120.570 -0.050 0.000 2.436 11 I HA 0.200 4.369 4.170 -0.000 0.000 0.289 11 I C 0.673 176.781 176.117 -0.014 0.000 1.083 11 I CA 0.027 61.311 61.300 -0.026 0.000 1.372 11 I CB 0.022 37.988 38.000 -0.057 0.000 1.408 11 I HN 0.759 nan 8.210 nan 0.000 0.516 12 T N 5.976 120.532 114.554 0.005 0.000 2.940 12 T HA 0.703 5.053 4.350 -0.000 0.000 0.288 12 T C -2.617 172.095 174.700 0.021 0.000 1.033 12 T CA -1.936 60.169 62.100 0.009 0.000 1.033 12 T CB 2.163 71.037 68.868 0.010 0.000 1.079 12 T HN 0.346 nan 8.240 nan 0.000 0.496 13 P HA 0.267 nan 4.420 nan 0.000 0.284 13 P C 0.859 178.180 177.300 0.034 0.000 1.258 13 P CA -0.771 62.350 63.100 0.035 0.000 0.824 13 P CB 1.008 32.729 31.700 0.035 0.000 1.038 14 C N 0.083 119.408 119.300 0.042 0.000 2.696 14 C HA 0.694 5.154 4.460 -0.000 0.000 0.264 14 C C 0.903 175.911 174.990 0.029 0.000 1.288 14 C CA 0.283 59.323 59.018 0.036 0.000 1.717 14 C CB -1.236 26.532 27.740 0.047 0.000 1.893 14 C HN 0.664 nan 8.230 nan 0.000 0.577 15 A N 0.318 123.157 122.820 0.032 0.000 2.535 15 A HA 0.860 5.180 4.320 -0.000 0.000 0.296 15 A C -0.356 177.249 177.584 0.034 0.000 1.248 15 A CA -0.000 52.054 52.037 0.029 0.000 0.686 15 A CB -0.072 18.945 19.000 0.029 0.000 1.315 15 A HN 1.117 nan 8.150 nan 0.000 0.460 16 A N -0.507 122.334 122.820 0.036 0.000 2.313 16 A HA 0.630 4.950 4.320 -0.000 0.000 0.261 16 A C -0.254 177.365 177.584 0.058 0.000 1.090 16 A CA -0.017 52.045 52.037 0.042 0.000 0.807 16 A CB 0.111 19.134 19.000 0.037 0.000 1.055 16 A HN 0.641 nan 8.150 nan 0.000 0.492 17 E N 0.599 120.841 120.200 0.070 0.000 2.218 17 E HA 0.257 4.607 4.350 -0.000 0.000 0.263 17 E C -1.137 175.542 176.600 0.132 0.000 0.879 17 E CA -0.489 55.969 56.400 0.098 0.000 0.762 17 E CB 1.653 31.406 29.700 0.088 0.000 1.166 17 E HN 0.634 nan 8.360 nan 0.000 0.415 18 E N 1.450 121.762 120.200 0.188 0.000 2.259 18 E HA 0.090 4.440 4.350 -0.000 0.000 0.281 18 E C 0.161 176.998 176.600 0.395 0.000 1.037 18 E CA 0.085 56.637 56.400 0.254 0.000 0.854 18 E CB 1.360 31.209 29.700 0.248 0.000 1.051 18 E HN 0.612 nan 8.360 nan 0.000 0.409 19 S N 2.843 118.751 115.700 0.348 0.000 2.575 19 S HA 0.144 4.614 4.470 -0.000 0.000 0.230 19 S C 0.585 175.463 174.600 0.464 0.000 1.062 19 S CA -0.200 58.210 58.200 0.350 0.000 0.913 19 S CB 0.606 63.940 63.200 0.223 0.000 0.837 19 S HN 0.206 nan 8.310 nan 0.000 0.487 20 K N 0.512 121.144 120.400 0.386 0.000 2.168 20 K HA 0.599 4.919 4.320 -0.000 0.000 0.239 20 K C -1.515 175.232 176.600 0.246 0.000 0.999 20 K CA -0.897 55.593 56.287 0.337 0.000 0.900 20 K CB 1.122 33.733 32.500 0.184 0.000 1.111 20 K HN 0.070 nan 8.250 nan 0.000 0.452 21 L N 2.764 124.104 121.223 0.195 0.000 2.262 21 L HA 0.357 4.697 4.340 -0.000 0.000 0.288 21 L C -2.509 174.297 176.870 -0.107 0.000 1.035 21 L CA -1.719 53.109 54.840 -0.021 0.000 0.820 21 L CB 0.752 42.924 42.059 0.187 0.000 1.204 21 L HN 0.384 nan 8.230 nan 0.000 0.424 22 P HA 0.169 nan 4.420 nan 0.000 0.274 22 P C -0.499 176.631 177.300 -0.284 0.000 1.231 22 P CA -0.469 62.517 63.100 -0.190 0.000 0.790 22 P CB 0.570 32.167 31.700 -0.171 0.000 0.951 23 I N 2.693 123.107 120.570 -0.260 0.000 2.849 23 I HA -0.075 4.095 4.170 -0.000 0.000 0.288 23 I C 0.205 176.195 176.117 -0.212 0.000 1.156 23 I CA 0.434 61.546 61.300 -0.314 0.000 1.394 23 I CB -1.494 36.420 38.000 -0.142 0.000 1.462 23 I HN 0.241 nan 8.210 nan 0.000 0.587 24 N N 8.719 127.277 118.700 -0.237 0.000 2.499 24 N HA 0.417 5.157 4.740 -0.000 0.000 0.281 24 N C -2.048 173.441 175.510 -0.035 0.000 1.098 24 N CA -1.527 51.459 53.050 -0.107 0.000 0.979 24 N CB 1.096 39.533 38.487 -0.083 0.000 1.121 24 N HN 0.336 nan 8.380 nan 0.000 0.466 25 P HA 0.139 nan 4.420 nan 0.000 0.244 25 P C -0.137 177.161 177.300 -0.004 0.000 1.632 25 P CA 0.472 63.566 63.100 -0.011 0.000 0.944 25 P CB 0.201 31.890 31.700 -0.019 0.000 1.569 26 L N -2.167 119.064 121.223 0.013 0.000 4.293 26 L HA 0.045 4.385 4.340 -0.000 0.000 0.441 26 L C 1.688 178.618 176.870 0.099 0.000 0.914 26 L CA 0.397 55.251 54.840 0.023 0.000 1.791 26 L CB -0.550 41.498 42.059 -0.019 0.000 2.207 26 L HN -0.174 nan 8.230 nan 0.000 0.614 27 S N -0.031 115.727 115.700 0.096 0.000 2.470 27 S HA -0.055 4.415 4.470 -0.000 0.000 0.225 27 S C 1.277 175.973 174.600 0.160 0.000 1.006 27 S CA 1.497 59.776 58.200 0.132 0.000 0.934 27 S CB -0.016 63.236 63.200 0.088 0.000 0.778 27 S HN 0.462 nan 8.310 nan 0.000 0.517 28 N N 0.760 119.560 118.700 0.166 0.000 2.459 28 N HA 0.025 4.765 4.740 -0.000 0.000 0.181 28 N C 1.675 177.237 175.510 0.086 0.000 1.046 28 N CA 0.989 54.144 53.050 0.175 0.000 0.904 28 N CB -0.191 38.398 38.487 0.170 0.000 0.964 28 N HN 0.308 nan 8.380 nan 0.000 0.444 29 S N -0.795 114.961 115.700 0.093 0.000 2.423 29 S HA -0.022 4.448 4.470 -0.000 0.000 0.231 29 S C 1.523 176.205 174.600 0.136 0.000 1.014 29 S CA 0.591 58.831 58.200 0.068 0.000 0.965 29 S CB -0.125 63.121 63.200 0.077 0.000 0.785 29 S HN 0.357 nan 8.310 nan 0.000 0.495 30 L N 0.685 122.011 121.223 0.172 0.000 2.187 30 L HA 0.547 4.887 4.340 -0.000 0.000 0.197 30 L C 0.270 177.210 176.870 0.118 0.000 1.090 30 L CA 1.024 55.961 54.840 0.162 0.000 0.781 30 L CB -0.015 41.945 42.059 -0.164 0.000 0.956 30 L HN 0.487 nan 8.230 nan 0.000 0.463 31 L N -1.197 120.060 121.223 0.056 0.000 2.438 31 L HA 0.437 4.777 4.340 -0.000 0.000 0.270 31 L C 0.359 177.151 176.870 -0.130 0.000 0.972 31 L CA -0.606 54.226 54.840 -0.013 0.000 0.831 31 L CB 1.647 43.720 42.059 0.023 0.000 1.273 31 L HN 0.081 nan 8.230 nan 0.000 0.405 32 R N 1.504 121.832 120.500 -0.287 0.000 2.173 32 R HA 0.115 4.455 4.340 -0.000 0.000 0.208 32 R C -0.115 175.843 176.300 -0.570 0.000 1.035 32 R CA 0.416 56.254 56.100 -0.437 0.000 1.004 32 R CB 0.024 30.101 30.300 -0.372 0.000 0.917 32 R HN 0.710 nan 8.270 nan 0.000 0.462 33 H N 0.630 119.529 119.070 -0.285 0.000 2.788 33 H HA 0.122 4.678 4.556 -0.000 0.000 0.254 33 H C 0.592 175.828 175.328 -0.153 0.000 1.541 33 H CA -0.617 55.310 56.048 -0.202 0.000 1.295 33 H CB 0.374 30.097 29.762 -0.065 0.000 1.592 33 H HN 0.149 nan 8.280 nan 0.000 0.545 34 H N 1.295 120.469 119.070 0.175 0.000 2.387 34 H HA -0.152 4.403 4.556 -0.000 0.000 0.299 34 H C 1.095 176.522 175.328 0.164 0.000 1.099 34 H CA 1.032 57.168 56.048 0.148 0.000 1.315 34 H CB 0.024 29.851 29.762 0.108 0.000 1.380 34 H HN 0.675 nan 8.280 nan 0.000 0.513 35 N N 0.359 119.199 118.700 0.234 0.000 2.635 35 N HA -0.082 4.658 4.740 -0.000 0.000 0.191 35 N C 1.329 176.938 175.510 0.165 0.000 1.155 35 N CA 0.104 53.260 53.050 0.176 0.000 0.927 35 N CB 0.127 38.680 38.487 0.111 0.000 0.976 35 N HN 0.225 nan 8.380 nan 0.000 0.448 36 M N 0.262 119.973 119.600 0.185 0.000 2.435 36 M HA 0.087 4.567 4.480 -0.000 0.000 0.265 36 M C 0.422 176.885 176.300 0.271 0.000 1.104 36 M CA 0.510 55.921 55.300 0.184 0.000 1.140 36 M CB 0.016 32.715 32.600 0.163 0.000 1.372 36 M HN -0.184 nan 8.290 nan 0.000 0.456 37 V N 1.453 121.544 119.914 0.295 0.000 2.567 37 V HA 0.268 4.388 4.120 -0.000 0.000 0.289 37 V C -0.679 175.677 176.094 0.436 0.000 1.049 37 V CA -0.586 61.912 62.300 0.331 0.000 0.969 37 V CB 0.722 32.739 31.823 0.323 0.000 0.995 37 V HN 0.439 nan 8.190 nan 0.000 0.471 38 Y N 2.034 122.445 120.300 0.185 0.000 2.558 38 Y HA 0.837 5.387 4.550 -0.000 0.000 0.333 38 Y C -0.592 175.305 175.900 -0.006 0.000 1.125 38 Y CA -1.179 57.014 58.100 0.155 0.000 1.039 38 Y CB 1.201 39.743 38.460 0.135 0.000 1.331 38 Y HN 0.734 nan 8.280 nan 0.000 0.456 39 A N 2.237 124.973 122.820 -0.141 0.000 2.324 39 A HA 0.706 5.026 4.320 -0.000 0.000 0.330 39 A C 0.009 177.592 177.584 -0.002 0.000 1.165 39 A CA -0.355 51.448 52.037 -0.390 0.000 0.813 39 A CB 0.589 19.117 19.000 -0.787 0.000 1.197 39 A HN 1.066 nan 8.150 nan 0.000 0.484 40 T N 0.037 114.606 114.554 0.024 0.000 2.918 40 T HA 0.569 4.919 4.350 -0.000 0.000 0.302 40 T C 0.392 175.142 174.700 0.083 0.000 1.045 40 T CA 0.380 62.564 62.100 0.141 0.000 1.114 40 T CB 0.815 69.786 68.868 0.172 0.000 0.965 40 T HN 1.485 nan 8.240 nan 0.000 0.540 41 T N -1.523 113.085 114.554 0.091 0.000 2.778 41 T HA 0.452 4.802 4.350 -0.000 0.000 0.293 41 T C 1.268 175.997 174.700 0.047 0.000 1.144 41 T CA -0.476 61.665 62.100 0.068 0.000 1.010 41 T CB 1.030 69.945 68.868 0.078 0.000 1.325 41 T HN 0.352 nan 8.240 nan 0.000 0.515 42 S N -0.068 115.653 115.700 0.036 0.000 2.402 42 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 42 S C 2.065 176.664 174.600 -0.002 0.000 1.030 42 S CA 1.561 59.770 58.200 0.014 0.000 1.003 42 S CB -0.549 62.659 63.200 0.013 0.000 0.813 42 S HN 0.666 nan 8.310 nan 0.000 0.477 43 R N 1.296 121.802 120.500 0.011 0.000 2.133 43 R HA -0.106 4.234 4.340 -0.000 0.000 0.247 43 R C 2.271 178.563 176.300 -0.014 0.000 1.151 43 R CA 1.712 57.812 56.100 0.000 0.000 0.971 43 R CB -0.434 29.875 30.300 0.016 0.000 0.866 43 R HN 0.534 nan 8.270 nan 0.000 0.447 44 S N -0.726 114.972 115.700 -0.004 0.000 2.597 44 S HA 0.271 4.741 4.470 -0.000 0.000 0.224 44 S C 1.692 176.267 174.600 -0.041 0.000 0.955 44 S CA 0.128 58.318 58.200 -0.017 0.000 0.933 44 S CB 0.851 64.056 63.200 0.009 0.000 0.788 44 S HN 0.312 nan 8.310 nan 0.000 0.488 45 A N 2.938 125.724 122.820 -0.056 0.000 1.908 45 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 45 A C 2.464 179.945 177.584 -0.171 0.000 1.181 45 A CA 2.079 54.057 52.037 -0.098 0.000 0.627 45 A CB -1.400 17.536 19.000 -0.107 0.000 0.818 45 A HN 0.784 nan 8.150 nan 0.000 0.445 46 S N -0.013 115.579 115.700 -0.180 0.000 2.370 46 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 46 S C 1.637 176.139 174.600 -0.163 0.000 1.033 46 S CA 1.571 59.636 58.200 -0.226 0.000 1.011 46 S CB -0.595 62.499 63.200 -0.177 0.000 0.852 46 S HN 0.257 nan 8.310 nan 0.000 0.457 47 L N 1.852 123.015 121.223 -0.100 0.000 2.083 47 L HA 0.053 4.393 4.340 -0.000 0.000 0.209 47 L C 2.728 179.568 176.870 -0.051 0.000 1.083 47 L CA 1.534 56.337 54.840 -0.062 0.000 0.752 47 L CB -1.289 40.744 42.059 -0.043 0.000 0.899 47 L HN 0.306 nan 8.230 nan 0.000 0.433 48 R N 0.096 120.558 120.500 -0.063 0.000 2.066 48 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 48 R C 2.197 178.471 176.300 -0.044 0.000 1.131 48 R CA 1.487 57.566 56.100 -0.035 0.000 0.955 48 R CB -0.452 29.827 30.300 -0.035 0.000 0.851 48 R HN 0.479 nan 8.270 nan 0.000 0.432 49 Q N 0.074 119.776 119.800 -0.162 0.000 2.112 49 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 49 Q C 1.766 177.771 176.000 0.009 0.000 0.987 49 Q CA 1.663 57.342 55.803 -0.207 0.000 0.858 49 Q CB -0.117 28.168 28.738 -0.755 0.000 0.905 49 Q HN 0.145 nan 8.270 nan 0.000 0.420 50 K N 1.186 121.576 120.400 -0.017 0.000 2.097 50 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 50 K C 1.815 178.502 176.600 0.146 0.000 1.050 50 K CA 1.189 57.519 56.287 0.071 0.000 0.938 50 K CB -0.135 32.379 32.500 0.023 0.000 0.718 50 K HN 0.233 nan 8.250 nan 0.000 0.442 51 K N 0.377 120.850 120.400 0.122 0.000 2.057 51 K HA -0.022 4.298 4.320 -0.000 0.000 0.206 51 K C 2.005 178.799 176.600 0.323 0.000 1.050 51 K CA 0.867 57.256 56.287 0.170 0.000 0.935 51 K CB -0.110 32.458 32.500 0.114 0.000 0.715 51 K HN -0.147 nan 8.250 nan 0.000 0.439 52 V N 1.447 121.530 119.914 0.282 0.000 3.217 52 V HA -0.067 4.052 4.120 -0.000 0.000 0.264 52 V C 0.434 176.708 176.094 0.298 0.000 1.135 52 V CA 1.100 63.598 62.300 0.330 0.000 1.142 52 V CB 0.019 31.951 31.823 0.182 0.000 0.754 52 V HN 0.255 nan 8.190 nan 0.000 0.484 53 T N 3.288 118.052 114.554 0.349 0.000 2.753 53 T HA 0.605 4.955 4.350 -0.000 0.000 0.297 53 T C -0.723 174.135 174.700 0.262 0.000 0.981 53 T CA -0.134 62.133 62.100 0.278 0.000 0.956 53 T CB 0.152 69.290 68.868 0.450 0.000 0.936 53 T HN 0.330 nan 8.240 nan 0.000 0.463 54 F N -0.081 119.969 119.950 0.165 0.000 2.770 54 F HA 0.610 5.137 4.527 -0.000 0.000 0.313 54 F C -1.022 174.814 175.800 0.060 0.000 1.154 54 F CA -1.721 56.339 58.000 0.100 0.000 0.923 54 F CB 0.538 39.589 39.000 0.086 0.000 1.301 54 F HN 0.242 nan 8.300 nan 0.000 0.449 55 D N 0.741 121.307 120.400 0.276 0.000 2.372 55 D HA 0.418 5.058 4.640 -0.000 0.000 0.243 55 D C -0.884 175.561 176.300 0.241 0.000 1.121 55 D CA 0.168 54.264 54.000 0.160 0.000 0.898 55 D CB 0.901 41.772 40.800 0.119 0.000 1.202 55 D HN 0.659 nan 8.370 nan 0.000 0.428 56 R N 2.141 122.711 120.500 0.117 0.000 2.393 56 R HA 0.499 4.839 4.340 -0.000 0.000 0.315 56 R C -1.003 175.334 176.300 0.063 0.000 0.952 56 R CA -0.536 55.639 56.100 0.125 0.000 0.842 56 R CB 1.031 31.372 30.300 0.068 0.000 1.163 56 R HN 0.404 nan 8.270 nan 0.000 0.450 57 L N 2.974 124.233 121.223 0.060 0.000 2.296 57 L HA 0.504 4.844 4.340 -0.000 0.000 0.286 57 L C -0.330 176.547 176.870 0.012 0.000 1.023 57 L CA -0.474 54.380 54.840 0.024 0.000 0.812 57 L CB 1.737 43.807 42.059 0.019 0.000 1.223 57 L HN 0.491 nan 8.230 nan 0.000 0.421 58 Q N 2.709 122.505 119.800 -0.006 0.000 2.323 58 Q HA 0.622 4.962 4.340 -0.000 0.000 0.271 58 Q C -1.842 174.138 176.000 -0.033 0.000 1.048 58 Q CA -0.573 55.220 55.803 -0.018 0.000 0.792 58 Q CB 2.992 31.711 28.738 -0.032 0.000 1.280 58 Q HN 0.439 nan 8.270 nan 0.000 0.441 59 V N 5.158 125.056 119.914 -0.027 0.000 2.531 59 V HA 0.476 4.596 4.120 -0.000 0.000 0.301 59 V C -0.591 175.503 176.094 -0.001 0.000 1.034 59 V CA -0.645 61.637 62.300 -0.029 0.000 0.865 59 V CB 1.716 33.520 31.823 -0.031 0.000 0.995 59 V HN 0.732 nan 8.190 nan 0.000 0.424 60 L N 4.946 126.135 121.223 -0.056 0.000 2.307 60 L HA 0.680 5.020 4.340 -0.000 0.000 0.284 60 L C -0.265 176.626 176.870 0.034 0.000 1.023 60 L CA -0.413 54.365 54.840 -0.103 0.000 0.810 60 L CB 1.861 43.704 42.059 -0.361 0.000 1.231 60 L HN 0.876 nan 8.230 nan 0.000 0.423 61 D N -0.834 119.665 120.400 0.165 0.000 2.654 61 D HA 0.248 4.887 4.640 -0.000 0.000 0.255 61 D C 0.170 176.542 176.300 0.120 0.000 1.101 61 D CA -0.647 53.428 54.000 0.125 0.000 1.116 61 D CB 1.021 41.895 40.800 0.124 0.000 1.348 61 D HN 0.277 nan 8.370 nan 0.000 0.609 62 D N -1.020 119.381 120.400 0.001 0.000 2.116 62 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 62 D C 1.742 178.032 176.300 -0.017 0.000 0.998 62 D CA 1.424 55.391 54.000 -0.056 0.000 0.836 62 D CB -0.343 40.358 40.800 -0.165 0.000 0.951 62 D HN 0.428 nan 8.370 nan 0.000 0.449 63 H N -0.859 118.282 119.070 0.120 0.000 2.387 63 H HA -0.157 4.399 4.556 -0.000 0.000 0.299 63 H C 2.081 177.450 175.328 0.069 0.000 1.099 63 H CA 1.052 57.161 56.048 0.100 0.000 1.315 63 H CB -0.663 29.181 29.762 0.138 0.000 1.380 63 H HN 0.337 nan 8.280 nan 0.000 0.513 64 Y N 2.093 122.437 120.300 0.073 0.000 2.114 64 Y HA -0.209 4.341 4.550 -0.000 0.000 0.284 64 Y C 2.698 178.556 175.900 -0.071 0.000 1.143 64 Y CA 1.553 59.574 58.100 -0.132 0.000 1.135 64 Y CB -0.066 38.219 38.460 -0.290 0.000 0.980 64 Y HN -0.056 nan 8.280 nan 0.000 0.499 65 R N 0.131 120.705 120.500 0.123 0.000 2.081 65 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 65 R C 1.826 178.108 176.300 -0.030 0.000 1.131 65 R CA 1.484 57.604 56.100 0.034 0.000 0.960 65 R CB -0.432 29.913 30.300 0.076 0.000 0.856 65 R HN 0.426 nan 8.270 nan 0.000 0.436 66 D N 0.303 120.707 120.400 0.006 0.000 2.104 66 D HA -0.133 4.507 4.640 -0.000 0.000 0.194 66 D C 1.953 178.238 176.300 -0.024 0.000 0.994 66 D CA 1.221 55.225 54.000 0.008 0.000 0.830 66 D CB -0.146 40.687 40.800 0.053 0.000 0.959 66 D HN 0.039 nan 8.370 nan 0.000 0.452 67 V N 1.226 121.104 119.914 -0.060 0.000 2.548 67 V HA -0.144 3.976 4.120 -0.000 0.000 0.249 67 V C 2.581 178.596 176.094 -0.131 0.000 1.055 67 V CA 0.663 62.913 62.300 -0.083 0.000 1.065 67 V CB -0.309 31.448 31.823 -0.110 0.000 0.681 67 V HN 0.192 nan 8.190 nan 0.000 0.462 68 L N -0.098 120.983 121.223 -0.236 0.000 2.012 68 L HA -0.263 4.076 4.340 -0.000 0.000 0.210 68 L C 2.675 179.475 176.870 -0.116 0.000 1.073 68 L CA 1.994 56.696 54.840 -0.231 0.000 0.748 68 L CB -0.259 41.645 42.059 -0.258 0.000 0.891 68 L HN 0.308 nan 8.230 nan 0.000 0.431 69 K N -0.318 120.034 120.400 -0.079 0.000 2.057 69 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 69 K C 1.855 178.435 176.600 -0.034 0.000 1.049 69 K CA 1.758 58.017 56.287 -0.046 0.000 0.931 69 K CB -0.177 32.306 32.500 -0.028 0.000 0.714 69 K HN 0.415 nan 8.250 nan 0.000 0.440 70 E N 0.698 120.884 120.200 -0.024 0.000 2.085 70 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 70 E C 2.036 178.629 176.600 -0.012 0.000 0.994 70 E CA 1.411 57.808 56.400 -0.005 0.000 0.801 70 E CB -0.154 29.556 29.700 0.017 0.000 0.743 70 E HN 0.302 nan 8.360 nan 0.000 0.453 71 M N 0.611 120.197 119.600 -0.023 0.000 2.132 71 M HA -0.136 4.344 4.480 -0.000 0.000 0.263 71 M C 2.139 178.401 176.300 -0.063 0.000 1.065 71 M CA 1.297 56.568 55.300 -0.048 0.000 1.122 71 M CB -0.108 32.454 32.600 -0.063 0.000 1.365 71 M HN -0.060 nan 8.290 nan 0.000 0.411 72 K N 0.429 120.793 120.400 -0.060 0.000 2.097 72 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 72 K C 2.121 178.698 176.600 -0.037 0.000 1.050 72 K CA 1.435 57.691 56.287 -0.052 0.000 0.938 72 K CB -0.295 32.175 32.500 -0.050 0.000 0.718 72 K HN 0.308 nan 8.250 nan 0.000 0.442 73 A N 1.965 124.767 122.820 -0.030 0.000 1.933 73 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 73 A C 2.006 179.575 177.584 -0.026 0.000 1.175 73 A CA 1.388 53.411 52.037 -0.022 0.000 0.628 73 A CB -0.149 18.841 19.000 -0.015 0.000 0.814 73 A HN 0.090 nan 8.150 nan 0.000 0.444 74 K N -0.326 120.053 120.400 -0.035 0.000 2.062 74 K HA 0.044 4.364 4.320 -0.000 0.000 0.205 74 K C 2.253 178.824 176.600 -0.049 0.000 1.051 74 K CA 1.196 57.457 56.287 -0.044 0.000 0.941 74 K CB -0.644 31.820 32.500 -0.059 0.000 0.719 74 K HN 0.429 nan 8.250 nan 0.000 0.440 75 A N 1.234 124.023 122.820 -0.052 0.000 2.019 75 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 75 A C 2.225 179.794 177.584 -0.025 0.000 1.164 75 A CA 1.659 53.670 52.037 -0.043 0.000 0.644 75 A CB -0.459 18.517 19.000 -0.039 0.000 0.805 75 A HN 0.220 nan 8.150 nan 0.000 0.449 76 S N -0.749 114.937 115.700 -0.022 0.000 2.440 76 S HA -0.126 4.344 4.470 -0.000 0.000 0.238 76 S C 1.810 176.401 174.600 -0.014 0.000 1.010 76 S CA 1.614 59.805 58.200 -0.014 0.000 0.972 76 S CB -0.423 62.769 63.200 -0.014 0.000 0.774 76 S HN 0.650 nan 8.310 nan 0.000 0.501 77 T N 1.641 116.182 114.554 -0.021 0.000 3.085 77 T HA 0.118 4.468 4.350 -0.000 0.000 0.263 77 T C 0.412 175.099 174.700 -0.022 0.000 1.127 77 T CA 0.270 62.357 62.100 -0.021 0.000 1.103 77 T CB -0.043 68.808 68.868 -0.028 0.000 0.921 77 T HN 0.071 nan 8.240 nan 0.000 0.510 78 V N 1.867 121.767 119.914 -0.023 0.000 2.539 78 V HA 0.440 4.560 4.120 -0.000 0.000 0.292 78 V C -0.056 176.031 176.094 -0.012 0.000 1.045 78 V CA -0.970 61.316 62.300 -0.023 0.000 0.945 78 V CB 1.724 33.528 31.823 -0.032 0.000 0.993 78 V HN 0.061 nan 8.190 nan 0.000 0.464 79 K N 3.221 123.614 120.400 -0.012 0.000 2.449 79 K HA 0.721 5.041 4.320 -0.000 0.000 0.257 79 K C -0.445 176.152 176.600 -0.005 0.000 0.989 79 K CA -0.372 55.912 56.287 -0.004 0.000 0.916 79 K CB 1.253 33.752 32.500 -0.002 0.000 1.136 79 K HN 0.874 nan 8.250 nan 0.000 0.439 80 A N 4.212 127.032 122.820 0.000 0.000 2.310 80 A HA 0.447 4.767 4.320 -0.000 0.000 0.299 80 A C -0.605 176.988 177.584 0.014 0.000 1.147 80 A CA -0.663 51.374 52.037 0.001 0.000 0.818 80 A CB 0.668 19.666 19.000 -0.003 0.000 1.096 80 A HN 0.589 nan 8.150 nan 0.000 0.495 81 K N 0.915 121.326 120.400 0.018 0.000 2.118 81 K HA 0.389 4.709 4.320 -0.000 0.000 0.267 81 K C -0.870 175.747 176.600 0.028 0.000 0.991 81 K CA -0.735 55.565 56.287 0.022 0.000 0.916 81 K CB 1.639 34.152 32.500 0.021 0.000 1.041 81 K HN 0.543 nan 8.250 nan 0.000 0.455 82 L N 3.243 124.475 121.223 0.016 0.000 2.305 82 L HA 0.248 4.588 4.340 -0.000 0.000 0.281 82 L C -0.746 176.098 176.870 -0.042 0.000 1.085 82 L CA -0.397 54.441 54.840 -0.002 0.000 0.813 82 L CB 0.422 42.475 42.059 -0.009 0.000 1.157 82 L HN 0.392 nan 8.230 nan 0.000 0.436 83 L N 3.937 125.120 121.223 -0.066 0.000 2.334 83 L HA 0.443 4.783 4.340 -0.000 0.000 0.277 83 L C 0.419 177.184 176.870 -0.175 0.000 1.075 83 L CA 0.331 55.118 54.840 -0.088 0.000 0.804 83 L CB 1.491 43.512 42.059 -0.064 0.000 1.174 83 L HN 0.855 nan 8.230 nan 0.000 0.438 84 S N 3.163 118.771 115.700 -0.154 0.000 2.603 84 S HA 0.273 4.743 4.470 -0.000 0.000 0.268 84 S C 1.559 176.038 174.600 -0.201 0.000 1.317 84 S CA -0.615 57.475 58.200 -0.185 0.000 1.012 84 S CB 0.459 63.580 63.200 -0.132 0.000 0.926 84 S HN 0.541 nan 8.310 nan 0.000 0.539 85 I N 1.259 121.695 120.570 -0.223 0.000 2.113 85 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 85 I C 2.535 178.561 176.117 -0.152 0.000 1.057 85 I CA 2.164 63.345 61.300 -0.198 0.000 1.314 85 I CB -0.773 37.121 38.000 -0.178 0.000 1.022 85 I HN 0.733 nan 8.210 nan 0.000 0.408 86 E N 1.010 121.132 120.200 -0.130 0.000 2.023 86 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 86 E C 2.003 178.532 176.600 -0.118 0.000 1.003 86 E CA 1.548 57.882 56.400 -0.110 0.000 0.809 86 E CB -0.324 29.322 29.700 -0.090 0.000 0.755 86 E HN 0.495 nan 8.360 nan 0.000 0.449 87 E N 0.476 120.603 120.200 -0.122 0.000 2.114 87 E HA -0.274 4.076 4.350 -0.000 0.000 0.199 87 E C 2.033 178.521 176.600 -0.186 0.000 1.008 87 E CA 1.287 57.606 56.400 -0.135 0.000 0.810 87 E CB -0.277 29.350 29.700 -0.121 0.000 0.739 87 E HN 0.323 nan 8.360 nan 0.000 0.456 88 A N 0.524 123.231 122.820 -0.188 0.000 1.929 88 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 88 A C 2.376 179.853 177.584 -0.177 0.000 1.176 88 A CA 0.977 52.889 52.037 -0.208 0.000 0.628 88 A CB -0.724 18.175 19.000 -0.168 0.000 0.816 88 A HN 0.373 nan 8.150 nan 0.000 0.444 89 C N -0.368 118.847 119.300 -0.142 0.000 2.413 89 C HA -0.099 4.361 4.460 -0.000 0.000 0.276 89 C C 2.711 177.622 174.990 -0.130 0.000 1.248 89 C CA 1.390 60.337 59.018 -0.118 0.000 1.742 89 C CB -1.013 26.666 27.740 -0.102 0.000 2.017 89 C HN 0.612 nan 8.230 nan 0.000 0.481 90 K N 0.446 120.767 120.400 -0.130 0.000 2.097 90 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 90 K C 1.696 178.217 176.600 -0.131 0.000 1.049 90 K CA 1.096 57.316 56.287 -0.111 0.000 0.933 90 K CB -0.280 32.168 32.500 -0.087 0.000 0.717 90 K HN 0.504 nan 8.250 nan 0.000 0.442 91 L N 1.074 122.166 121.223 -0.218 0.000 2.362 91 L HA -0.071 4.269 4.340 -0.000 0.000 0.219 91 L C 0.573 177.292 176.870 -0.252 0.000 1.134 91 L CA 0.475 55.125 54.840 -0.316 0.000 0.807 91 L CB -0.414 41.341 42.059 -0.506 0.000 0.927 91 L HN 0.081 nan 8.230 nan 0.000 0.447 92 T N 2.519 116.951 114.554 -0.203 0.000 2.814 92 T HA 0.155 4.504 4.350 -0.000 0.000 0.297 92 T C -2.193 172.335 174.700 -0.288 0.000 0.956 92 T CA -1.026 60.958 62.100 -0.194 0.000 1.123 92 T CB 0.861 69.642 68.868 -0.145 0.000 0.902 92 T HN 0.016 nan 8.240 nan 0.000 0.528 93 P HA 0.194 nan 4.420 nan 0.000 0.271 93 P C -2.271 174.708 177.300 -0.536 0.000 1.218 93 P CA -1.709 61.075 63.100 -0.528 0.000 0.780 93 P CB 0.716 32.267 31.700 -0.248 0.000 0.901 94 P HA -0.160 nan 4.420 nan 0.000 0.217 94 P C 0.780 177.722 177.300 -0.597 0.000 1.148 94 P CA 1.781 64.477 63.100 -0.673 0.000 0.828 94 P CB -0.185 31.021 31.700 -0.824 0.000 0.783 95 H N -2.414 116.543 119.070 -0.189 0.000 2.486 95 H HA 0.271 4.827 4.556 -0.000 0.000 0.284 95 H C 0.387 175.638 175.328 -0.128 0.000 1.103 95 H CA -0.342 55.630 56.048 -0.126 0.000 1.089 95 H CB -0.169 29.535 29.762 -0.097 0.000 1.603 95 H HN 0.034 nan 8.280 nan 0.000 0.557 96 S N 1.205 116.849 115.700 -0.093 0.000 2.560 96 S HA 0.299 4.769 4.470 -0.000 0.000 0.284 96 S C 0.717 175.264 174.600 -0.089 0.000 1.327 96 S CA -0.504 57.629 58.200 -0.113 0.000 1.055 96 S CB 0.293 63.413 63.200 -0.133 0.000 0.868 96 S HN 0.523 nan 8.310 nan 0.000 0.506 97 A N 4.898 127.639 122.820 -0.133 0.000 2.567 97 A HA 0.209 4.529 4.320 -0.000 0.000 0.240 97 A C 0.592 178.147 177.584 -0.048 0.000 1.053 97 A CA -0.029 51.953 52.037 -0.090 0.000 0.755 97 A CB -0.227 18.686 19.000 -0.144 0.000 0.978 97 A HN 0.881 nan 8.150 nan 0.000 0.507 98 K N 2.229 122.606 120.400 -0.039 0.000 2.276 98 K HA 0.344 4.664 4.320 -0.000 0.000 0.259 98 K C 0.341 176.872 176.600 -0.116 0.000 1.001 98 K CA 0.054 56.291 56.287 -0.085 0.000 0.927 98 K CB 0.458 32.910 32.500 -0.080 0.000 0.969 98 K HN 0.449 nan 8.250 nan 0.000 0.490 99 S N 0.163 115.684 115.700 -0.297 0.000 2.592 99 S HA 0.020 4.490 4.470 -0.000 0.000 0.271 99 S C 0.873 175.314 174.600 -0.266 0.000 1.326 99 S CA -0.574 57.428 58.200 -0.332 0.000 1.024 99 S CB 0.950 63.628 63.200 -0.869 0.000 0.921 99 S HN 0.813 nan 8.310 nan 0.000 0.527 100 K N 2.412 122.702 120.400 -0.183 0.000 2.439 100 K HA 0.034 4.354 4.320 -0.000 0.000 0.197 100 K C 0.190 176.457 176.600 -0.555 0.000 1.041 100 K CA 1.035 57.128 56.287 -0.323 0.000 0.970 100 K CB -0.143 32.152 32.500 -0.342 0.000 0.773 100 K HN 0.716 nan 8.250 nan 0.000 0.479 101 F N 0.509 120.286 119.950 -0.289 0.000 2.663 101 F HA 0.262 4.789 4.527 -0.000 0.000 0.299 101 F C 1.007 176.741 175.800 -0.110 0.000 1.143 101 F CA 0.279 58.129 58.000 -0.249 0.000 1.387 101 F CB 0.740 39.441 39.000 -0.498 0.000 1.019 101 F HN 0.139 nan 8.300 nan 0.000 0.523 102 G N 0.809 109.565 108.800 -0.073 0.000 2.248 102 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.252 102 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.252 102 G C -0.562 174.429 174.900 0.153 0.000 1.085 102 G CA 0.050 45.166 45.100 0.027 0.000 0.845 102 G HN 0.592 nan 8.290 nan 0.000 0.494 103 Y N -3.012 117.297 120.300 0.015 0.000 2.620 103 Y HA 0.706 5.256 4.550 -0.000 0.000 0.331 103 Y C 0.248 176.160 175.900 0.020 0.000 1.173 103 Y CA -1.018 57.092 58.100 0.017 0.000 1.076 103 Y CB 0.396 38.871 38.460 0.025 0.000 1.336 103 Y HN 0.806 nan 8.280 nan 0.000 0.459 104 G N 0.224 109.104 108.800 0.133 0.000 3.013 104 G HA2 0.570 4.530 3.960 -0.000 0.000 0.278 104 G HA3 0.570 4.530 3.960 -0.000 0.000 0.278 104 G C 0.379 175.336 174.900 0.095 0.000 1.353 104 G CA -0.766 44.358 45.100 0.040 0.000 1.043 104 G HN 1.276 nan 8.290 nan 0.000 0.523 105 A N -0.238 122.590 122.820 0.014 0.000 1.903 105 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 105 A C 2.191 179.749 177.584 -0.044 0.000 1.191 105 A CA 2.458 54.477 52.037 -0.031 0.000 0.638 105 A CB -0.625 18.309 19.000 -0.110 0.000 0.823 105 A HN 0.649 nan 8.150 nan 0.000 0.451 106 K N -0.538 119.836 120.400 -0.044 0.000 2.020 106 K HA -0.247 4.072 4.320 -0.000 0.000 0.212 106 K C 1.493 178.084 176.600 -0.014 0.000 1.050 106 K CA 1.953 58.211 56.287 -0.049 0.000 0.929 106 K CB -0.405 32.080 32.500 -0.026 0.000 0.714 106 K HN 0.493 nan 8.250 nan 0.000 0.443 107 D N 0.466 120.890 120.400 0.040 0.000 2.104 107 D HA -0.157 4.483 4.640 -0.000 0.000 0.194 107 D C 2.100 178.406 176.300 0.011 0.000 0.994 107 D CA 1.301 55.330 54.000 0.048 0.000 0.830 107 D CB -0.297 40.584 40.800 0.134 0.000 0.959 107 D HN 0.089 nan 8.370 nan 0.000 0.452 108 V N 2.034 121.980 119.914 0.053 0.000 2.255 108 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 108 V C 2.495 178.559 176.094 -0.049 0.000 1.051 108 V CA 1.935 64.238 62.300 0.004 0.000 1.018 108 V CB -0.481 31.380 31.823 0.064 0.000 0.641 108 V HN 0.216 nan 8.190 nan 0.000 0.445 109 R N 0.509 120.969 120.500 -0.066 0.000 2.152 109 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 109 R C 1.637 177.895 176.300 -0.071 0.000 1.117 109 R CA 1.489 57.535 56.100 -0.089 0.000 0.981 109 R CB -0.549 29.675 30.300 -0.127 0.000 0.870 109 R HN 0.437 nan 8.270 nan 0.000 0.451 110 N N 1.064 119.729 118.700 -0.058 0.000 2.461 110 N HA 0.111 4.851 4.740 -0.000 0.000 0.188 110 N C -0.063 175.415 175.510 -0.052 0.000 1.134 110 N CA 0.181 53.202 53.050 -0.049 0.000 0.878 110 N CB 0.091 38.556 38.487 -0.036 0.000 0.972 110 N HN 0.155 nan 8.380 nan 0.000 0.456 111 L N 0.115 121.299 121.223 -0.064 0.000 3.660 111 L HA -0.236 4.104 4.340 -0.000 0.000 0.440 111 L C -0.253 176.571 176.870 -0.077 0.000 1.262 111 L CA -0.139 54.655 54.840 -0.077 0.000 0.837 111 L CB -2.572 39.444 42.059 -0.071 0.000 1.689 111 L HN -0.019 nan 8.230 nan 0.000 0.890 112 S N 0.037 115.688 115.700 -0.082 0.000 2.558 112 S HA 0.073 4.543 4.470 -0.000 0.000 0.287 112 S C 1.456 175.995 174.600 -0.102 0.000 1.321 112 S CA 0.328 58.480 58.200 -0.079 0.000 1.048 112 S CB 1.602 64.753 63.200 -0.081 0.000 0.844 112 S HN 0.695 nan 8.310 nan 0.000 0.512 113 S N 3.298 118.953 115.700 -0.075 0.000 2.383 113 S HA -0.161 4.308 4.470 -0.000 0.000 0.227 113 S C 1.818 176.359 174.600 -0.097 0.000 1.026 113 S CA 1.078 59.233 58.200 -0.074 0.000 0.981 113 S CB -0.292 62.881 63.200 -0.046 0.000 0.818 113 S HN 0.725 nan 8.310 nan 0.000 0.472 114 R N 1.213 121.655 120.500 -0.096 0.000 2.081 114 R HA 0.020 4.360 4.340 -0.000 0.000 0.235 114 R C 2.426 178.551 176.300 -0.292 0.000 1.131 114 R CA 1.367 57.402 56.100 -0.108 0.000 0.960 114 R CB -0.862 29.418 30.300 -0.033 0.000 0.856 114 R HN 0.521 nan 8.270 nan 0.000 0.436 115 A N 0.681 123.219 122.820 -0.470 0.000 1.855 115 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 115 A C 2.278 179.578 177.584 -0.474 0.000 1.191 115 A CA 1.685 53.173 52.037 -0.916 0.000 0.613 115 A CB -0.861 17.750 19.000 -0.647 0.000 0.829 115 A HN 0.355 nan 8.150 nan 0.000 0.442 116 V N -1.500 118.258 119.914 -0.260 0.000 2.626 116 V HA -0.169 3.951 4.120 -0.000 0.000 0.252 116 V C 1.686 177.704 176.094 -0.127 0.000 1.067 116 V CA 2.284 64.483 62.300 -0.168 0.000 1.081 116 V CB -1.107 30.640 31.823 -0.126 0.000 0.686 116 V HN 0.431 nan 8.190 nan 0.000 0.468 117 N N 0.227 118.859 118.700 -0.112 0.000 2.216 117 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 117 N C 1.888 177.374 175.510 -0.039 0.000 1.017 117 N CA 1.845 54.858 53.050 -0.062 0.000 0.861 117 N CB -0.731 37.734 38.487 -0.036 0.000 0.986 117 N HN 0.798 nan 8.380 nan 0.000 0.428 118 H N 0.687 119.661 119.070 -0.159 0.000 2.395 118 H HA 0.105 4.661 4.556 -0.000 0.000 0.299 118 H C 1.947 177.219 175.328 -0.094 0.000 1.070 118 H CA 0.785 56.754 56.048 -0.132 0.000 1.356 118 H CB 0.121 29.843 29.762 -0.067 0.000 1.401 118 H HN 0.098 nan 8.280 nan 0.000 0.524 119 I N 0.729 121.211 120.570 -0.147 0.000 2.208 119 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 119 I C 2.763 178.827 176.117 -0.088 0.000 1.097 119 I CA 1.159 62.384 61.300 -0.126 0.000 1.363 119 I CB -0.213 37.743 38.000 -0.074 0.000 1.051 119 I HN 0.231 nan 8.210 nan 0.000 0.413 120 R N 0.565 121.020 120.500 -0.075 0.000 2.096 120 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 120 R C 2.538 178.848 176.300 0.016 0.000 1.127 120 R CA 1.840 57.934 56.100 -0.010 0.000 0.968 120 R CB -0.483 29.797 30.300 -0.032 0.000 0.861 120 R HN 0.485 nan 8.270 nan 0.000 0.440 121 S N 0.284 115.937 115.700 -0.078 0.000 2.406 121 S HA -0.038 4.432 4.470 -0.000 0.000 0.228 121 S C 2.129 176.648 174.600 -0.135 0.000 1.020 121 S CA 0.743 58.888 58.200 -0.092 0.000 0.965 121 S CB -0.294 62.844 63.200 -0.105 0.000 0.798 121 S HN 0.031 nan 8.310 nan 0.000 0.488 122 V N 0.789 120.565 119.914 -0.229 0.000 2.490 122 V HA -0.110 4.010 4.120 -0.000 0.000 0.250 122 V C 2.186 178.246 176.094 -0.056 0.000 1.061 122 V CA 1.711 63.886 62.300 -0.208 0.000 1.064 122 V CB -0.909 30.750 31.823 -0.274 0.000 0.670 122 V HN 0.729 nan 8.190 nan 0.000 0.461 123 W N 0.849 122.060 121.300 -0.148 0.000 2.409 123 W HA -0.087 4.573 4.660 -0.000 0.000 0.299 123 W C 2.290 178.760 176.519 -0.082 0.000 1.203 123 W CA 1.307 58.593 57.345 -0.098 0.000 1.298 123 W CB 0.061 29.471 29.460 -0.085 0.000 1.127 123 W HN 0.272 nan 8.180 nan 0.000 0.528 124 E N 0.646 120.859 120.200 0.022 0.000 2.077 124 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 124 E C 1.500 178.018 176.600 -0.136 0.000 0.989 124 E CA 1.889 58.260 56.400 -0.048 0.000 0.800 124 E CB -0.959 28.743 29.700 0.003 0.000 0.746 124 E HN 0.395 nan 8.360 nan 0.000 0.452 125 D N -0.307 120.017 120.400 -0.126 0.000 2.149 125 D HA -0.154 4.486 4.640 -0.000 0.000 0.198 125 D C 1.753 177.948 176.300 -0.175 0.000 0.990 125 D CA 0.514 54.437 54.000 -0.128 0.000 0.839 125 D CB 0.074 40.806 40.800 -0.113 0.000 0.948 125 D HN -0.025 nan 8.370 nan 0.000 0.460 126 L N 0.268 121.335 121.223 -0.260 0.000 2.127 126 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 126 L C 2.017 178.694 176.870 -0.322 0.000 1.089 126 L CA 1.368 56.011 54.840 -0.328 0.000 0.757 126 L CB -0.729 41.015 42.059 -0.525 0.000 0.899 126 L HN 0.320 nan 8.230 nan 0.000 0.434 127 L N -1.815 119.209 121.223 -0.332 0.000 2.307 127 L HA -0.013 4.327 4.340 -0.000 0.000 0.211 127 L C 2.084 178.868 176.870 -0.144 0.000 1.099 127 L CA 0.446 55.141 54.840 -0.242 0.000 0.816 127 L CB -0.391 41.532 42.059 -0.225 0.000 0.952 127 L HN 0.205 nan 8.230 nan 0.000 0.455 128 E N -0.519 119.607 120.200 -0.124 0.000 2.276 128 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 128 E C 0.067 176.623 176.600 -0.074 0.000 0.983 128 E CA 0.330 56.681 56.400 -0.082 0.000 0.861 128 E CB 0.407 30.069 29.700 -0.065 0.000 0.817 128 E HN 0.229 nan 8.360 nan 0.000 0.485 129 D N 0.237 120.584 120.400 -0.088 0.000 2.425 129 D HA 0.129 4.769 4.640 -0.000 0.000 0.240 129 D C 0.033 176.284 176.300 -0.082 0.000 1.080 129 D CA -0.188 53.769 54.000 -0.071 0.000 0.836 129 D CB 1.755 42.517 40.800 -0.063 0.000 1.125 129 D HN -0.278 nan 8.370 nan 0.000 0.525 130 T N 2.413 116.928 114.554 -0.065 0.000 3.044 130 T HA 0.031 4.381 4.350 -0.000 0.000 0.250 130 T C 1.124 175.794 174.700 -0.051 0.000 1.081 130 T CA 0.593 62.655 62.100 -0.063 0.000 1.040 130 T CB 0.396 69.234 68.868 -0.051 0.000 0.962 130 T HN 0.625 nan 8.240 nan 0.000 0.506 131 E N -0.980 119.195 120.200 -0.042 0.000 2.505 131 E HA 0.124 4.474 4.350 -0.000 0.000 0.212 131 E C 0.000 176.588 176.600 -0.020 0.000 0.825 131 E CA -0.071 56.312 56.400 -0.028 0.000 1.333 131 E CB -0.121 29.567 29.700 -0.021 0.000 1.319 131 E HN 0.077 nan 8.360 nan 0.000 0.658 132 T N 5.316 119.857 114.554 -0.021 0.000 2.792 132 T HA 0.104 4.454 4.350 -0.000 0.000 0.286 132 T C -2.449 172.247 174.700 -0.006 0.000 0.970 132 T CA -0.678 61.417 62.100 -0.007 0.000 1.187 132 T CB 0.362 69.225 68.868 -0.008 0.000 0.915 132 T HN 0.027 nan 8.240 nan 0.000 0.529 133 P HA 0.118 nan 4.420 nan 0.000 0.264 133 P C -0.124 177.171 177.300 -0.008 0.000 1.183 133 P CA -0.029 63.082 63.100 0.019 0.000 0.763 133 P CB 0.364 32.126 31.700 0.104 0.000 0.807 134 I N 2.150 122.694 120.570 -0.043 0.000 2.440 134 I HA 0.165 4.335 4.170 -0.000 0.000 0.294 134 I C 0.832 176.925 176.117 -0.040 0.000 0.995 134 I CA -0.528 60.750 61.300 -0.037 0.000 1.306 134 I CB 0.978 38.942 38.000 -0.061 0.000 1.407 134 I HN 0.303 nan 8.210 nan 0.000 0.501 135 D N 4.040 124.434 120.400 -0.010 0.000 2.382 135 D HA 0.204 4.844 4.640 -0.000 0.000 0.245 135 D C -0.350 175.916 176.300 -0.058 0.000 1.120 135 D CA 0.205 54.188 54.000 -0.027 0.000 0.890 135 D CB 0.878 41.680 40.800 0.003 0.000 1.201 135 D HN 0.610 nan 8.370 nan 0.000 0.433 136 T N -0.396 114.095 114.554 -0.106 0.000 2.916 136 T HA 0.675 5.025 4.350 -0.000 0.000 0.292 136 T C -0.238 174.313 174.700 -0.248 0.000 1.064 136 T CA -0.908 61.089 62.100 -0.172 0.000 1.011 136 T CB 1.607 70.389 68.868 -0.143 0.000 1.152 136 T HN 0.219 nan 8.240 nan 0.000 0.510 137 T N 1.647 115.906 114.554 -0.491 0.000 2.856 137 T HA 0.647 4.997 4.350 -0.000 0.000 0.283 137 T C -0.764 173.688 174.700 -0.413 0.000 1.008 137 T CA -0.647 61.156 62.100 -0.495 0.000 0.997 137 T CB 1.023 69.418 68.868 -0.787 0.000 0.992 137 T HN 0.725 nan 8.240 nan 0.000 0.454 138 I N 3.707 124.180 120.570 -0.161 0.000 2.433 138 I HA 0.585 4.755 4.170 -0.000 0.000 0.292 138 I C -1.214 174.919 176.117 0.027 0.000 1.001 138 I CA -0.840 60.445 61.300 -0.024 0.000 1.119 138 I CB 0.968 39.013 38.000 0.075 0.000 1.289 138 I HN 0.425 nan 8.210 nan 0.000 0.438 139 M N 5.732 125.386 119.600 0.091 0.000 2.618 139 M HA 0.506 4.986 4.480 -0.000 0.000 0.281 139 M C -0.769 175.589 176.300 0.096 0.000 1.267 139 M CA -0.618 54.746 55.300 0.108 0.000 0.845 139 M CB 1.802 34.512 32.600 0.183 0.000 1.732 139 M HN 0.568 nan 8.290 nan 0.000 0.461 140 A N 1.659 124.522 122.820 0.072 0.000 2.289 140 A HA 0.493 4.813 4.320 -0.000 0.000 0.298 140 A C -0.171 177.456 177.584 0.070 0.000 1.208 140 A CA -0.487 51.585 52.037 0.058 0.000 0.845 140 A CB 0.405 19.427 19.000 0.037 0.000 1.125 140 A HN 0.734 nan 8.150 nan 0.000 0.517 141 K N 2.167 122.612 120.400 0.074 0.000 2.249 141 K HA 0.295 4.615 4.320 -0.000 0.000 0.280 141 K C -0.113 176.510 176.600 0.038 0.000 1.033 141 K CA -0.091 56.233 56.287 0.062 0.000 0.946 141 K CB 0.668 33.212 32.500 0.073 0.000 1.005 141 K HN 0.578 nan 8.250 nan 0.000 0.469 142 S N 3.958 119.659 115.700 0.002 0.000 2.439 142 S HA 0.147 4.617 4.470 -0.000 0.000 0.282 142 S C -1.114 173.401 174.600 -0.142 0.000 1.170 142 S CA -0.462 57.708 58.200 -0.049 0.000 1.054 142 S CB 0.217 63.390 63.200 -0.044 0.000 0.956 142 S HN 0.613 nan 8.310 nan 0.000 0.490 143 E N 2.631 122.722 120.200 -0.181 0.000 2.292 143 E HA 0.360 4.710 4.350 -0.000 0.000 0.272 143 E C -1.089 175.112 176.600 -0.665 0.000 0.881 143 E CA -0.927 55.234 56.400 -0.399 0.000 0.754 143 E CB 2.098 31.623 29.700 -0.291 0.000 1.201 143 E HN 0.496 nan 8.360 nan 0.000 0.425 144 V N 1.712 121.073 119.914 -0.920 0.000 2.481 144 V HA 0.715 4.835 4.120 -0.000 0.000 0.286 144 V C -1.276 174.223 176.094 -0.991 0.000 1.042 144 V CA 0.029 61.791 62.300 -0.897 0.000 0.928 144 V CB 0.045 31.347 31.823 -0.868 0.000 0.986 144 V HN 0.587 nan 8.190 nan 0.000 0.462 145 F N 3.764 123.336 119.950 -0.629 0.000 2.726 145 F HA 0.678 5.205 4.527 -0.000 0.000 0.324 145 F C 0.055 175.736 175.800 -0.199 0.000 1.140 145 F CA -0.795 56.969 58.000 -0.394 0.000 0.964 145 F CB 1.136 39.924 39.000 -0.354 0.000 1.399 145 F HN 0.765 nan 8.300 nan 0.000 0.491 146 C N 2.733 122.187 119.300 0.256 0.000 2.350 146 C HA 0.780 5.240 4.460 -0.000 0.000 0.348 146 C C 0.218 175.434 174.990 0.378 0.000 1.260 146 C CA -0.716 58.466 59.018 0.273 0.000 1.966 146 C CB -0.139 27.693 27.740 0.154 0.000 2.380 146 C HN 0.731 nan 8.230 nan 0.000 0.535 147 V N 4.748 124.867 119.914 0.342 0.000 3.061 147 V HA 0.123 4.243 4.120 -0.000 0.000 0.306 147 V C 0.276 176.427 176.094 0.095 0.000 1.118 147 V CA 0.085 62.481 62.300 0.160 0.000 1.231 147 V CB 0.054 31.902 31.823 0.041 0.000 0.956 147 V HN 1.030 nan 8.190 nan 0.000 0.499 148 Q N 4.281 124.097 119.800 0.025 0.000 2.327 148 Q HA 0.239 4.579 4.340 -0.000 0.000 0.254 148 Q C -1.791 174.207 176.000 -0.004 0.000 0.952 148 Q CA -1.434 54.374 55.803 0.007 0.000 0.884 148 Q CB 1.352 30.076 28.738 -0.024 0.000 1.224 148 Q HN 0.652 nan 8.270 nan 0.000 0.422 149 P HA -0.173 nan 4.420 nan 0.000 0.223 149 P C -0.437 176.854 177.300 -0.015 0.000 1.140 149 P CA 1.066 64.162 63.100 -0.006 0.000 0.783 149 P CB 0.233 31.930 31.700 -0.006 0.000 0.759 150 E N -0.369 119.818 120.200 -0.021 0.000 2.359 150 E HA 0.053 4.403 4.350 -0.000 0.000 0.187 150 E C -0.085 176.496 176.600 -0.032 0.000 1.081 150 E CA -0.342 56.042 56.400 -0.026 0.000 0.929 150 E CB -0.792 28.890 29.700 -0.030 0.000 1.086 150 E HN 0.253 nan 8.360 nan 0.000 0.462 151 K N 0.262 120.644 120.400 -0.030 0.000 5.464 151 K HA -0.211 4.109 4.320 -0.000 0.000 0.546 151 K C 0.720 177.290 176.600 -0.050 0.000 1.400 151 K CA 0.659 56.925 56.287 -0.035 0.000 1.316 151 K CB -1.212 31.269 32.500 -0.031 0.000 1.861 151 K HN 0.571 nan 8.250 nan 0.000 0.307 152 G N 0.848 109.607 108.800 -0.068 0.000 2.141 152 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.231 152 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.231 152 G C 0.337 175.156 174.900 -0.135 0.000 0.984 152 G CA -0.168 44.871 45.100 -0.102 0.000 0.660 152 G HN 0.956 nan 8.290 nan 0.000 0.525 153 G N 0.104 108.835 108.800 -0.114 0.000 2.360 153 G HA2 0.566 4.526 3.960 -0.000 0.000 0.279 153 G HA3 0.566 4.526 3.960 -0.000 0.000 0.279 153 G C 0.115 174.912 174.900 -0.173 0.000 1.189 153 G CA -0.222 44.811 45.100 -0.111 0.000 0.941 153 G HN 0.496 nan 8.290 nan 0.000 0.445 154 R N 1.668 122.047 120.500 -0.201 0.000 2.807 154 R HA 0.362 4.702 4.340 -0.000 0.000 0.276 154 R C -0.394 175.845 176.300 -0.103 0.000 0.979 154 R CA -0.907 55.036 56.100 -0.261 0.000 0.928 154 R CB 2.490 32.502 30.300 -0.481 0.000 1.191 154 R HN 0.417 nan 8.270 nan 0.000 0.471 155 K N 2.961 123.348 120.400 -0.021 0.000 2.201 155 K HA 0.288 4.608 4.320 -0.000 0.000 0.278 155 K C -2.135 174.456 176.600 -0.015 0.000 1.027 155 K CA -1.576 54.636 56.287 -0.123 0.000 0.909 155 K CB 1.072 33.289 32.500 -0.472 0.000 1.062 155 K HN 0.307 nan 8.250 nan 0.000 0.465 156 P HA 0.072 nan 4.420 nan 0.000 0.276 156 P C -0.822 176.499 177.300 0.035 0.000 1.244 156 P CA -0.502 62.604 63.100 0.010 0.000 0.801 156 P CB 0.889 32.582 31.700 -0.012 0.000 1.006 157 A N 3.097 125.947 122.820 0.051 0.000 2.555 157 A HA 0.035 4.355 4.320 -0.000 0.000 0.233 157 A C 0.602 178.222 177.584 0.061 0.000 1.060 157 A CA 0.231 52.309 52.037 0.069 0.000 0.759 157 A CB -0.410 18.622 19.000 0.053 0.000 0.995 157 A HN 0.515 nan 8.150 nan 0.000 0.506 158 R N 0.583 121.138 120.500 0.091 0.000 2.457 158 R HA 0.503 4.843 4.340 -0.000 0.000 0.284 158 R C -0.821 175.533 176.300 0.090 0.000 1.024 158 R CA -0.416 55.742 56.100 0.097 0.000 1.025 158 R CB 0.740 31.116 30.300 0.127 0.000 1.063 158 R HN 0.699 nan 8.270 nan 0.000 0.493 159 L N 3.924 125.202 121.223 0.093 0.000 2.292 159 L HA 0.420 4.760 4.340 -0.000 0.000 0.284 159 L C -0.244 176.713 176.870 0.145 0.000 1.065 159 L CA -0.662 54.237 54.840 0.099 0.000 0.806 159 L CB 1.127 43.230 42.059 0.073 0.000 1.175 159 L HN 0.455 nan 8.230 nan 0.000 0.431 160 I N 3.600 124.269 120.570 0.165 0.000 2.474 160 I HA 0.557 4.727 4.170 -0.000 0.000 0.294 160 I C -0.823 175.448 176.117 0.258 0.000 1.005 160 I CA -0.369 61.066 61.300 0.224 0.000 1.113 160 I CB 1.892 40.035 38.000 0.238 0.000 1.289 160 I HN 0.212 nan 8.210 nan 0.000 0.436 161 V N 8.800 128.875 119.914 0.269 0.000 2.525 161 V HA 0.617 4.737 4.120 -0.000 0.000 0.299 161 V C -0.861 175.372 176.094 0.232 0.000 1.034 161 V CA -0.447 61.948 62.300 0.158 0.000 0.863 161 V CB 1.234 33.136 31.823 0.132 0.000 0.999 161 V HN 0.640 nan 8.190 nan 0.000 0.423 162 F N 4.782 124.777 119.950 0.075 0.000 2.668 162 F HA 0.945 5.472 4.527 -0.000 0.000 0.309 162 F C -3.094 172.742 175.800 0.059 0.000 1.117 162 F CA -2.432 55.611 58.000 0.072 0.000 0.951 162 F CB 1.704 40.744 39.000 0.067 0.000 1.323 162 F HN 0.311 nan 8.300 nan 0.000 0.451 163 P HA 0.194 nan 4.420 nan 0.000 0.281 163 P C -1.170 176.289 177.300 0.264 0.000 1.281 163 P CA -0.137 63.041 63.100 0.130 0.000 0.811 163 P CB 1.289 33.058 31.700 0.114 0.000 1.154 164 D N -0.713 119.805 120.400 0.197 0.000 2.399 164 D HA -0.034 4.605 4.640 -0.000 0.000 0.241 164 D C 1.429 177.867 176.300 0.229 0.000 1.133 164 D CA -0.305 53.837 54.000 0.237 0.000 0.890 164 D CB 0.270 41.230 40.800 0.266 0.000 1.201 164 D HN 0.106 nan 8.370 nan 0.000 0.432 165 L N 4.005 125.341 121.223 0.189 0.000 2.030 165 L HA -0.178 4.162 4.340 -0.000 0.000 0.222 165 L C 2.047 179.040 176.870 0.206 0.000 1.082 165 L CA 2.806 57.734 54.840 0.146 0.000 0.785 165 L CB -1.279 40.815 42.059 0.059 0.000 0.895 165 L HN 0.681 nan 8.230 nan 0.000 0.439 166 G N -1.425 107.558 108.800 0.306 0.000 2.469 166 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 166 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 166 G C 1.570 176.551 174.900 0.135 0.000 1.150 166 G CA 1.212 46.488 45.100 0.293 0.000 0.763 166 G HN 0.400 nan 8.290 nan 0.000 0.561 167 V N 0.641 120.634 119.914 0.131 0.000 2.427 167 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 167 V C 2.942 179.104 176.094 0.113 0.000 1.051 167 V CA 1.882 64.237 62.300 0.093 0.000 1.048 167 V CB -0.422 31.450 31.823 0.081 0.000 0.666 167 V HN 0.342 nan 8.190 nan 0.000 0.456 168 R N -0.441 120.136 120.500 0.129 0.000 2.081 168 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 168 R C 2.226 178.579 176.300 0.088 0.000 1.131 168 R CA 1.396 57.565 56.100 0.116 0.000 0.960 168 R CB -0.594 29.767 30.300 0.102 0.000 0.856 168 R HN 0.406 nan 8.270 nan 0.000 0.436 169 V N 0.383 120.344 119.914 0.078 0.000 2.427 169 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 169 V C 2.449 178.575 176.094 0.054 0.000 1.051 169 V CA 1.453 63.774 62.300 0.035 0.000 1.048 169 V CB -0.355 31.484 31.823 0.027 0.000 0.666 169 V HN 0.454 nan 8.190 nan 0.000 0.456 170 C N -0.232 119.140 119.300 0.120 0.000 2.440 170 C HA -0.129 4.331 4.460 -0.000 0.000 0.278 170 C C 2.643 177.795 174.990 0.270 0.000 1.295 170 C CA 0.806 59.973 59.018 0.249 0.000 1.738 170 C CB -0.935 27.006 27.740 0.335 0.000 1.987 170 C HN 0.613 nan 8.230 nan 0.000 0.492 171 E N 0.714 121.028 120.200 0.190 0.000 2.118 171 E HA -0.236 4.113 4.350 -0.000 0.000 0.195 171 E C 2.135 178.843 176.600 0.181 0.000 0.992 171 E CA 1.228 57.748 56.400 0.200 0.000 0.804 171 E CB -0.106 29.714 29.700 0.201 0.000 0.741 171 E HN 0.627 nan 8.360 nan 0.000 0.458 172 K N 0.283 120.758 120.400 0.125 0.000 2.002 172 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 172 K C 2.193 178.841 176.600 0.080 0.000 1.048 172 K CA 1.497 57.840 56.287 0.093 0.000 0.930 172 K CB -0.108 32.371 32.500 -0.035 0.000 0.714 172 K HN 0.091 nan 8.250 nan 0.000 0.438 173 M N 0.221 119.822 119.600 0.002 0.000 2.108 173 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 173 M C 2.375 178.695 176.300 0.032 0.000 1.066 173 M CA 1.748 56.988 55.300 -0.100 0.000 1.107 173 M CB -0.303 32.056 32.600 -0.402 0.000 1.356 173 M HN 0.230 nan 8.290 nan 0.000 0.406 174 A N -0.316 122.636 122.820 0.221 0.000 1.898 174 A HA 0.050 4.370 4.320 -0.000 0.000 0.214 174 A C 1.864 179.542 177.584 0.157 0.000 1.183 174 A CA 1.177 53.403 52.037 0.313 0.000 0.622 174 A CB -0.227 19.022 19.000 0.414 0.000 0.824 174 A HN 0.485 nan 8.150 nan 0.000 0.444 175 L N -3.021 118.277 121.223 0.126 0.000 2.920 175 L HA 0.205 4.545 4.340 -0.000 0.000 0.257 175 L C 1.837 178.730 176.870 0.039 0.000 1.150 175 L CA 0.002 54.857 54.840 0.025 0.000 0.959 175 L CB 0.039 42.078 42.059 -0.033 0.000 1.321 175 L HN 0.441 nan 8.230 nan 0.000 0.555 176 Y N 1.574 121.876 120.300 0.003 0.000 2.128 176 Y HA -0.348 4.202 4.550 -0.000 0.000 0.284 176 Y C 2.229 178.146 175.900 0.027 0.000 1.154 176 Y CA 2.332 60.446 58.100 0.022 0.000 1.149 176 Y CB 0.048 38.508 38.460 -0.001 0.000 0.976 176 Y HN 0.267 nan 8.280 nan 0.000 0.505 177 D N -0.760 119.674 120.400 0.056 0.000 2.097 177 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 177 D C 2.170 178.396 176.300 -0.123 0.000 0.989 177 D CA 1.737 55.712 54.000 -0.043 0.000 0.827 177 D CB -0.259 40.563 40.800 0.037 0.000 0.966 177 D HN 0.236 nan 8.370 nan 0.000 0.456 178 V N 0.030 119.881 119.914 -0.105 0.000 2.255 178 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 178 V C 2.575 178.554 176.094 -0.192 0.000 1.051 178 V CA 1.527 63.742 62.300 -0.142 0.000 1.018 178 V CB -0.606 31.098 31.823 -0.198 0.000 0.641 178 V HN 0.156 nan 8.190 nan 0.000 0.445 179 V N -0.093 119.687 119.914 -0.224 0.000 3.078 179 V HA -0.143 3.977 4.120 -0.000 0.000 0.265 179 V C 2.176 178.117 176.094 -0.255 0.000 1.122 179 V CA 1.916 64.084 62.300 -0.219 0.000 1.141 179 V CB -0.325 31.402 31.823 -0.160 0.000 0.735 179 V HN 0.554 nan 8.190 nan 0.000 0.498 180 S N -1.109 114.426 115.700 -0.274 0.000 2.517 180 S HA 0.009 4.479 4.470 -0.000 0.000 0.214 180 S C 1.771 176.248 174.600 -0.204 0.000 0.991 180 S CA 0.855 58.905 58.200 -0.250 0.000 0.906 180 S CB 0.389 63.397 63.200 -0.320 0.000 0.789 180 S HN 0.680 nan 8.310 nan 0.000 0.513 181 T N 0.981 115.413 114.554 -0.203 0.000 2.989 181 T HA 0.278 4.628 4.350 -0.000 0.000 0.250 181 T C 1.524 176.103 174.700 -0.202 0.000 0.981 181 T CA -0.211 61.784 62.100 -0.174 0.000 0.980 181 T CB -0.082 68.718 68.868 -0.115 0.000 1.133 181 T HN 0.123 nan 8.240 nan 0.000 0.489 182 L N 1.927 123.036 121.223 -0.190 0.000 2.056 182 L HA 0.064 4.404 4.340 -0.000 0.000 0.207 182 L C -1.074 175.633 176.870 -0.273 0.000 1.078 182 L CA 1.545 56.285 54.840 -0.166 0.000 0.749 182 L CB -0.655 41.366 42.059 -0.063 0.000 0.901 182 L HN 0.093 nan 8.230 nan 0.000 0.433 183 P HA -0.260 nan 4.420 nan 0.000 0.214 183 P C 1.321 178.194 177.300 -0.712 0.000 1.163 183 P CA 1.595 64.268 63.100 -0.711 0.000 0.889 183 P CB 0.009 30.912 31.700 -1.329 0.000 0.790 184 Q N -0.523 118.853 119.800 -0.706 0.000 1.975 184 Q HA -0.210 4.130 4.340 -0.000 0.000 0.205 184 Q C 2.151 178.007 176.000 -0.241 0.000 0.990 184 Q CA 2.294 57.877 55.803 -0.366 0.000 0.845 184 Q CB -1.061 27.536 28.738 -0.235 0.000 0.913 184 Q HN 0.051 nan 8.270 nan 0.000 0.420 185 A N -0.347 122.348 122.820 -0.209 0.000 1.940 185 A HA -0.253 4.067 4.320 -0.000 0.000 0.221 185 A C 2.198 179.692 177.584 -0.150 0.000 1.190 185 A CA 2.174 54.123 52.037 -0.147 0.000 0.647 185 A CB -0.971 17.954 19.000 -0.126 0.000 0.821 185 A HN 0.358 nan 8.150 nan 0.000 0.457 186 V N -1.405 118.387 119.914 -0.203 0.000 2.379 186 V HA -0.092 4.028 4.120 -0.000 0.000 0.243 186 V C 2.309 178.232 176.094 -0.285 0.000 1.035 186 V CA 1.936 64.106 62.300 -0.215 0.000 1.035 186 V CB -0.444 31.237 31.823 -0.236 0.000 0.673 186 V HN 0.571 nan 8.190 nan 0.000 0.457 187 M N -0.482 118.900 119.600 -0.363 0.000 2.428 187 M HA 0.374 4.854 4.480 -0.000 0.000 0.239 187 M C 1.336 177.558 176.300 -0.129 0.000 1.121 187 M CA 0.649 55.688 55.300 -0.434 0.000 1.019 187 M CB 0.168 32.406 32.600 -0.603 0.000 1.485 187 M HN 0.453 nan 8.290 nan 0.000 0.484 188 G N 1.387 110.125 108.800 -0.104 0.000 2.581 188 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.291 188 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.291 188 G C 0.804 175.670 174.900 -0.058 0.000 1.277 188 G CA 0.635 45.704 45.100 -0.052 0.000 0.959 188 G HN 0.555 nan 8.290 nan 0.000 0.554 189 S N -1.003 114.667 115.700 -0.050 0.000 2.493 189 S HA -0.024 4.446 4.470 -0.000 0.000 0.243 189 S C 2.240 176.699 174.600 -0.234 0.000 0.991 189 S CA 2.064 60.163 58.200 -0.168 0.000 0.957 189 S CB -0.193 62.952 63.200 -0.092 0.000 0.756 189 S HN 1.024 nan 8.310 nan 0.000 0.521 190 S N 0.186 115.883 115.700 -0.004 0.000 2.453 190 S HA 0.089 4.559 4.470 -0.000 0.000 0.231 190 S C 0.306 174.944 174.600 0.063 0.000 1.005 190 S CA 0.059 58.325 58.200 0.109 0.000 0.949 190 S CB -0.424 62.988 63.200 0.352 0.000 0.774 190 S HN 0.731 nan 8.310 nan 0.000 0.510 191 Y N 2.513 122.729 120.300 -0.140 0.000 2.537 191 Y HA 0.424 4.974 4.550 -0.000 0.000 0.339 191 Y C 1.252 177.020 175.900 -0.221 0.000 1.066 191 Y CA -0.992 57.001 58.100 -0.178 0.000 1.357 191 Y CB 0.219 38.559 38.460 -0.201 0.000 1.175 191 Y HN 0.040 nan 8.280 nan 0.000 0.525 192 G N 4.810 113.192 108.800 -0.697 0.000 2.403 192 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 192 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 192 G C 1.200 175.680 174.900 -0.700 0.000 1.154 192 G CA 0.163 44.909 45.100 -0.591 0.000 0.784 192 G HN 0.727 nan 8.290 nan 0.000 0.538 193 F N 1.679 121.060 119.950 -0.950 0.000 2.583 193 F HA -0.055 4.471 4.527 -0.000 0.000 0.297 193 F C 2.888 178.602 175.800 -0.144 0.000 1.131 193 F CA 1.215 58.790 58.000 -0.708 0.000 1.467 193 F CB -0.024 38.507 39.000 -0.783 0.000 1.097 193 F HN 0.345 nan 8.300 nan 0.000 0.586 194 Q N -0.385 119.324 119.800 -0.153 0.000 2.432 194 Q HA -0.047 4.293 4.340 -0.000 0.000 0.205 194 Q C -0.446 175.485 176.000 -0.115 0.000 0.945 194 Q CA 0.643 56.390 55.803 -0.094 0.000 0.924 194 Q CB -0.328 28.220 28.738 -0.318 0.000 1.016 194 Q HN 0.415 nan 8.270 nan 0.000 0.503 195 Y N 1.989 122.328 120.300 0.065 0.000 2.330 195 Y HA 0.311 4.861 4.550 -0.000 0.000 0.336 195 Y C 0.594 176.379 175.900 -0.192 0.000 1.036 195 Y CA -1.062 57.014 58.100 -0.040 0.000 1.125 195 Y CB 1.390 39.788 38.460 -0.104 0.000 1.194 195 Y HN 0.079 nan 8.280 nan 0.000 0.469 196 S N 2.463 117.945 115.700 -0.362 0.000 2.608 196 S HA 0.202 4.671 4.470 -0.000 0.000 0.261 196 S C -2.051 172.257 174.600 -0.487 0.000 1.314 196 S CA -1.085 56.447 58.200 -1.114 0.000 0.992 196 S CB 1.198 63.861 63.200 -0.895 0.000 0.935 196 S HN 0.423 nan 8.310 nan 0.000 0.564 197 P HA -0.124 nan 4.420 nan 0.000 0.215 197 P C 1.484 178.712 177.300 -0.119 0.000 1.153 197 P CA 1.359 64.341 63.100 -0.198 0.000 0.853 197 P CB 0.009 31.638 31.700 -0.118 0.000 0.788 198 K N -0.049 120.272 120.400 -0.131 0.000 2.113 198 K HA -0.238 4.081 4.320 -0.000 0.000 0.208 198 K C 2.023 178.580 176.600 -0.072 0.000 1.047 198 K CA 1.644 57.897 56.287 -0.056 0.000 0.928 198 K CB -0.214 32.233 32.500 -0.089 0.000 0.716 198 K HN 0.179 nan 8.250 nan 0.000 0.446 199 Q N -0.357 119.385 119.800 -0.097 0.000 2.137 199 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 199 Q C 2.186 178.056 176.000 -0.216 0.000 0.960 199 Q CA 1.000 56.775 55.803 -0.048 0.000 0.847 199 Q CB -0.088 28.725 28.738 0.125 0.000 0.915 199 Q HN 0.296 nan 8.270 nan 0.000 0.448 200 R N 0.654 121.022 120.500 -0.221 0.000 2.120 200 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 200 R C 2.074 178.245 176.300 -0.215 0.000 1.123 200 R CA 0.971 56.880 56.100 -0.318 0.000 0.975 200 R CB -0.199 30.018 30.300 -0.138 0.000 0.866 200 R HN 0.131 nan 8.270 nan 0.000 0.446 201 V N 1.117 120.941 119.914 -0.150 0.000 2.323 201 V HA -0.196 3.924 4.120 -0.000 0.000 0.244 201 V C 2.225 178.216 176.094 -0.172 0.000 1.041 201 V CA 2.259 64.471 62.300 -0.148 0.000 1.025 201 V CB -0.215 31.560 31.823 -0.081 0.000 0.656 201 V HN 0.532 nan 8.190 nan 0.000 0.451 202 E N -0.699 119.431 120.200 -0.116 0.000 2.097 202 E HA -0.326 4.024 4.350 -0.000 0.000 0.196 202 E C 2.076 178.613 176.600 -0.105 0.000 1.000 202 E CA 2.234 58.582 56.400 -0.086 0.000 0.804 202 E CB -0.401 29.286 29.700 -0.022 0.000 0.740 202 E HN 0.661 nan 8.360 nan 0.000 0.454 203 F N 0.601 120.379 119.950 -0.287 0.000 2.234 203 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 203 F C 1.836 177.498 175.800 -0.230 0.000 1.087 203 F CA 0.879 58.697 58.000 -0.302 0.000 1.340 203 F CB 0.107 38.740 39.000 -0.612 0.000 1.031 203 F HN 0.013 nan 8.300 nan 0.000 0.500 204 L N -0.774 120.260 121.223 -0.315 0.000 2.044 204 L HA -0.186 4.154 4.340 -0.000 0.000 0.205 204 L C 2.309 179.002 176.870 -0.295 0.000 1.075 204 L CA 0.951 55.595 54.840 -0.327 0.000 0.747 204 L CB -0.714 41.206 42.059 -0.231 0.000 0.903 204 L HN -0.013 nan 8.230 nan 0.000 0.435 205 V N 0.022 119.753 119.914 -0.305 0.000 2.237 205 V HA -0.302 3.818 4.120 -0.000 0.000 0.245 205 V C 1.923 177.922 176.094 -0.158 0.000 1.046 205 V CA 2.326 64.461 62.300 -0.275 0.000 1.007 205 V CB -0.953 30.591 31.823 -0.466 0.000 0.638 205 V HN 0.495 nan 8.190 nan 0.000 0.445 206 N N -0.137 118.455 118.700 -0.180 0.000 2.247 206 N HA -0.188 4.552 4.740 -0.000 0.000 0.189 206 N C 1.703 177.105 175.510 -0.179 0.000 1.009 206 N CA 1.685 54.655 53.050 -0.134 0.000 0.872 206 N CB -0.167 38.259 38.487 -0.101 0.000 0.980 206 N HN 0.529 nan 8.380 nan 0.000 0.436 207 T N -0.139 114.231 114.554 -0.307 0.000 2.809 207 T HA -0.122 4.228 4.350 -0.000 0.000 0.260 207 T C 1.333 175.940 174.700 -0.155 0.000 1.039 207 T CA 0.373 62.280 62.100 -0.322 0.000 1.141 207 T CB -0.262 68.265 68.868 -0.569 0.000 0.869 207 T HN 0.427 nan 8.240 nan 0.000 0.437 208 W N 2.635 123.779 121.300 -0.259 0.000 2.338 208 W HA -0.124 4.536 4.660 0.000 0.000 0.304 208 W C 1.806 178.252 176.519 -0.121 0.000 1.212 208 W CA 1.307 58.545 57.345 -0.178 0.000 1.264 208 W CB -0.184 29.167 29.460 -0.181 0.000 1.142 208 W HN 0.263 nan 8.180 nan 0.000 0.512 209 K N 0.312 120.738 120.400 0.043 0.000 2.057 209 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 209 K C 2.223 178.771 176.600 -0.086 0.000 1.050 209 K CA 1.941 58.227 56.287 -0.001 0.000 0.935 209 K CB -0.642 31.878 32.500 0.032 0.000 0.715 209 K HN 0.062 nan 8.250 nan 0.000 0.439 210 S N 0.937 116.577 115.700 -0.100 0.000 2.488 210 S HA -0.111 4.359 4.470 -0.000 0.000 0.246 210 S C 0.529 175.051 174.600 -0.129 0.000 0.992 210 S CA 0.869 59.009 58.200 -0.101 0.000 0.963 210 S CB -0.093 63.045 63.200 -0.104 0.000 0.754 210 S HN -0.010 nan 8.310 nan 0.000 0.519 211 K N 1.640 121.920 120.400 -0.200 0.000 2.172 211 K HA 0.425 4.745 4.320 -0.000 0.000 0.276 211 K C 0.825 177.313 176.600 -0.187 0.000 1.013 211 K CA -0.507 55.644 56.287 -0.228 0.000 0.913 211 K CB 1.322 33.597 32.500 -0.375 0.000 1.055 211 K HN 0.142 nan 8.250 nan 0.000 0.461 212 K N 1.193 121.512 120.400 -0.136 0.000 1.973 212 K HA -0.050 4.270 4.320 -0.000 0.000 0.210 212 K C -0.116 176.414 176.600 -0.117 0.000 1.045 212 K CA 1.209 57.438 56.287 -0.098 0.000 0.937 212 K CB 0.038 32.496 32.500 -0.070 0.000 0.721 212 K HN 0.539 nan 8.250 nan 0.000 0.438 213 C N 3.505 122.727 119.300 -0.130 0.000 2.492 213 C HA 0.488 4.948 4.460 -0.000 0.000 0.284 213 C C -2.671 172.199 174.990 -0.200 0.000 1.082 213 C CA -2.628 56.314 59.018 -0.126 0.000 1.555 213 C CB 0.408 28.108 27.740 -0.068 0.000 1.798 213 C HN 0.320 nan 8.230 nan 0.000 0.413 214 P HA 0.181 nan 4.420 nan 0.000 0.271 214 P C -0.689 176.314 177.300 -0.494 0.000 1.216 214 P CA 0.258 62.918 63.100 -0.732 0.000 0.771 214 P CB 0.998 31.676 31.700 -1.704 0.000 0.864 215 M N 2.911 122.299 119.600 -0.353 0.000 2.327 215 M HA 0.628 5.108 4.480 -0.000 0.000 0.298 215 M C -1.052 175.214 176.300 -0.057 0.000 1.065 215 M CA -0.287 54.934 55.300 -0.132 0.000 0.916 215 M CB 2.164 34.763 32.600 -0.003 0.000 1.630 215 M HN 0.566 nan 8.290 nan 0.000 0.442 216 G N 3.902 112.778 108.800 0.126 0.000 2.672 216 G HA2 0.870 4.830 3.960 -0.000 0.000 0.292 216 G HA3 0.870 4.830 3.960 -0.000 0.000 0.292 216 G C -1.833 173.206 174.900 0.232 0.000 1.375 216 G CA -0.618 44.618 45.100 0.227 0.000 0.890 216 G HN 0.838 nan 8.290 nan 0.000 0.476 217 F N -1.086 118.828 119.950 -0.061 0.000 2.817 217 F HA 0.826 5.353 4.527 -0.000 0.000 0.317 217 F C -0.537 175.228 175.800 -0.059 0.000 1.168 217 F CA -1.200 56.749 58.000 -0.085 0.000 0.911 217 F CB 1.361 40.288 39.000 -0.122 0.000 1.337 217 F HN 0.797 nan 8.300 nan 0.000 0.464 218 S N 0.380 116.165 115.700 0.142 0.000 2.542 218 S HA 0.771 5.241 4.470 -0.000 0.000 0.293 218 S C -1.902 172.855 174.600 0.260 0.000 1.089 218 S CA -0.626 57.609 58.200 0.058 0.000 0.961 218 S CB 1.993 65.212 63.200 0.032 0.000 1.062 218 S HN 1.092 nan 8.310 nan 0.000 0.483 219 Y N 1.154 121.507 120.300 0.089 0.000 2.442 219 Y HA 0.610 5.160 4.550 -0.000 0.000 0.344 219 Y C -1.406 174.574 175.900 0.133 0.000 0.976 219 Y CA -0.480 57.734 58.100 0.190 0.000 1.040 219 Y CB 1.866 40.516 38.460 0.316 0.000 1.228 219 Y HN 0.925 nan 8.280 nan 0.000 0.451 220 D N 3.876 124.162 120.400 -0.189 0.000 2.964 220 D HA 0.205 4.845 4.640 -0.000 0.000 0.234 220 D C -1.086 175.157 176.300 -0.095 0.000 1.223 220 D CA -0.272 53.714 54.000 -0.024 0.000 0.889 220 D CB 2.078 42.871 40.800 -0.012 0.000 1.609 220 D HN 0.680 nan 8.370 nan 0.000 0.523 221 T N 0.569 115.230 114.554 0.178 0.000 2.882 221 T HA 0.311 4.661 4.350 -0.000 0.000 0.287 221 T C 0.555 175.368 174.700 0.189 0.000 1.014 221 T CA -0.804 61.450 62.100 0.256 0.000 1.049 221 T CB 1.357 70.566 68.868 0.567 0.000 1.001 221 T HN 0.388 nan 8.240 nan 0.000 0.525 222 R N 1.291 121.874 120.500 0.138 0.000 2.343 222 R HA 0.268 4.607 4.340 -0.000 0.000 0.326 222 R C -0.388 176.028 176.300 0.193 0.000 1.055 222 R CA -0.381 55.781 56.100 0.104 0.000 0.961 222 R CB -1.128 29.183 30.300 0.017 0.000 0.978 222 R HN 0.906 nan 8.270 nan 0.000 0.443 223 C N 5.602 125.033 119.300 0.218 0.000 3.004 223 C HA -0.176 4.284 4.460 -0.000 0.000 0.267 223 C C 1.339 176.543 174.990 0.356 0.000 1.211 223 C CA 0.128 59.316 59.018 0.283 0.000 2.485 223 C CB -2.608 25.316 27.740 0.307 0.000 1.539 223 C HN 1.034 nan 8.230 nan 0.000 0.462 224 F N 1.703 121.767 119.950 0.189 0.000 2.043 224 F HA -0.184 4.343 4.527 -0.000 0.000 0.297 224 F C 1.988 177.898 175.800 0.183 0.000 1.121 224 F CA 2.330 60.444 58.000 0.190 0.000 1.199 224 F CB -0.009 39.093 39.000 0.171 0.000 0.968 224 F HN 0.546 nan 8.300 nan 0.000 0.478 225 D N -0.191 120.425 120.400 0.360 0.000 2.170 225 D HA -0.214 4.426 4.640 -0.000 0.000 0.193 225 D C 2.416 178.758 176.300 0.070 0.000 1.004 225 D CA 1.843 55.965 54.000 0.205 0.000 0.860 225 D CB -0.690 40.255 40.800 0.240 0.000 0.931 225 D HN 0.234 nan 8.370 nan 0.000 0.448 226 S N -0.655 115.124 115.700 0.133 0.000 2.447 226 S HA -0.116 4.354 4.470 -0.000 0.000 0.233 226 S C 2.008 176.590 174.600 -0.031 0.000 1.006 226 S CA 1.478 59.688 58.200 0.017 0.000 0.957 226 S CB -0.261 62.995 63.200 0.093 0.000 0.773 226 S HN 0.561 nan 8.310 nan 0.000 0.507 227 T N -0.901 113.683 114.554 0.050 0.000 3.067 227 T HA 0.150 4.500 4.350 -0.000 0.000 0.261 227 T C 0.649 175.257 174.700 -0.153 0.000 1.110 227 T CA 0.018 62.130 62.100 0.019 0.000 1.113 227 T CB -0.333 68.521 68.868 -0.023 0.000 0.917 227 T HN 0.029 nan 8.240 nan 0.000 0.499 228 V N 4.006 123.772 119.914 -0.248 0.000 2.485 228 V HA 0.300 4.420 4.120 -0.000 0.000 0.287 228 V C 1.166 177.186 176.094 -0.124 0.000 1.022 228 V CA -0.056 62.114 62.300 -0.216 0.000 1.067 228 V CB 0.213 31.934 31.823 -0.170 0.000 0.967 228 V HN 0.753 nan 8.190 nan 0.000 0.479 229 T N 1.351 115.852 114.554 -0.089 0.000 2.881 229 T HA 0.349 4.699 4.350 -0.000 0.000 0.278 229 T C 0.975 175.646 174.700 -0.047 0.000 0.982 229 T CA -0.585 61.474 62.100 -0.068 0.000 0.989 229 T CB 1.305 70.142 68.868 -0.051 0.000 1.058 229 T HN 0.651 nan 8.240 nan 0.000 0.529 230 E N 0.381 120.556 120.200 -0.042 0.000 2.077 230 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 230 E C 2.260 178.854 176.600 -0.011 0.000 0.989 230 E CA 1.197 57.585 56.400 -0.020 0.000 0.800 230 E CB -0.268 29.421 29.700 -0.018 0.000 0.746 230 E HN 0.657 nan 8.360 nan 0.000 0.452 231 S N 0.924 116.613 115.700 -0.018 0.000 2.359 231 S HA -0.215 4.255 4.470 -0.000 0.000 0.223 231 S C 1.525 176.127 174.600 0.003 0.000 1.039 231 S CA 1.796 59.990 58.200 -0.011 0.000 1.042 231 S CB -0.326 62.856 63.200 -0.028 0.000 0.915 231 S HN 0.172 nan 8.310 nan 0.000 0.439 232 D N 0.936 121.336 120.400 -0.001 0.000 2.149 232 D HA -0.072 4.568 4.640 -0.000 0.000 0.198 232 D C 1.805 178.105 176.300 -0.000 0.000 0.990 232 D CA 1.129 55.139 54.000 0.017 0.000 0.839 232 D CB -0.396 40.404 40.800 -0.001 0.000 0.948 232 D HN 0.483 nan 8.370 nan 0.000 0.460 233 I N 0.324 120.892 120.570 -0.003 0.000 2.439 233 I HA -0.148 4.022 4.170 -0.000 0.000 0.251 233 I C 2.357 178.473 176.117 -0.002 0.000 1.139 233 I CA 0.779 62.081 61.300 0.003 0.000 1.438 233 I CB 0.000 38.023 38.000 0.037 0.000 1.085 233 I HN -0.128 nan 8.210 nan 0.000 0.427 234 R N -0.150 120.353 120.500 0.005 0.000 2.148 234 R HA -0.034 4.305 4.340 -0.000 0.000 0.223 234 R C 2.233 178.516 176.300 -0.029 0.000 1.088 234 R CA 0.752 56.854 56.100 0.003 0.000 0.985 234 R CB -0.160 30.146 30.300 0.011 0.000 0.880 234 R HN 0.212 nan 8.270 nan 0.000 0.451 235 V N 0.989 120.884 119.914 -0.031 0.000 2.453 235 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 235 V C 2.228 178.233 176.094 -0.147 0.000 1.048 235 V CA 1.621 63.893 62.300 -0.048 0.000 1.049 235 V CB -0.321 31.513 31.823 0.019 0.000 0.672 235 V HN 0.342 nan 8.190 nan 0.000 0.457 236 E N 0.119 120.205 120.200 -0.190 0.000 2.038 236 E HA -0.301 4.049 4.350 -0.000 0.000 0.195 236 E C 2.312 178.511 176.600 -0.668 0.000 1.000 236 E CA 1.761 57.909 56.400 -0.420 0.000 0.803 236 E CB -0.122 29.385 29.700 -0.322 0.000 0.750 236 E HN 0.680 nan 8.360 nan 0.000 0.448 237 E N 0.137 120.142 120.200 -0.325 0.000 2.077 237 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 237 E C 2.100 178.641 176.600 -0.098 0.000 0.989 237 E CA 1.557 57.882 56.400 -0.126 0.000 0.800 237 E CB -0.090 29.649 29.700 0.065 0.000 0.746 237 E HN 0.287 nan 8.360 nan 0.000 0.452 238 S N 0.452 116.094 115.700 -0.097 0.000 2.400 238 S HA -0.182 4.288 4.470 -0.000 0.000 0.232 238 S C 2.051 176.602 174.600 -0.080 0.000 1.025 238 S CA 1.183 59.348 58.200 -0.060 0.000 0.993 238 S CB -0.580 62.591 63.200 -0.049 0.000 0.808 238 S HN 0.324 nan 8.310 nan 0.000 0.478 239 I N 0.101 120.567 120.570 -0.174 0.000 2.163 239 I HA -0.140 4.030 4.170 -0.000 0.000 0.240 239 I C 2.372 178.460 176.117 -0.049 0.000 1.081 239 I CA 1.426 62.631 61.300 -0.158 0.000 1.353 239 I CB -0.536 37.312 38.000 -0.253 0.000 1.054 239 I HN 0.223 nan 8.210 nan 0.000 0.407 240 Y N 0.969 121.255 120.300 -0.024 0.000 2.207 240 Y HA -0.235 4.315 4.550 -0.000 0.000 0.287 240 Y C 2.613 178.509 175.900 -0.006 0.000 1.156 240 Y CA 0.701 58.791 58.100 -0.017 0.000 1.182 240 Y CB -1.015 37.446 38.460 0.002 0.000 0.979 240 Y HN 0.258 nan 8.280 nan 0.000 0.521 241 Q N -1.294 118.593 119.800 0.145 0.000 2.437 241 Q HA -0.100 4.240 4.340 -0.000 0.000 0.210 241 Q C 2.048 178.078 176.000 0.050 0.000 0.972 241 Q CA 0.789 56.644 55.803 0.086 0.000 0.903 241 Q CB -0.653 28.118 28.738 0.055 0.000 0.967 241 Q HN 0.511 nan 8.270 nan 0.000 0.486 242 C N -0.185 119.139 119.300 0.039 0.000 2.562 242 C HA 0.091 4.551 4.460 -0.000 0.000 0.266 242 C C 1.385 176.387 174.990 0.020 0.000 1.382 242 C CA -0.918 58.110 59.018 0.017 0.000 1.742 242 C CB -0.783 26.956 27.740 -0.002 0.000 1.812 242 C HN 0.361 nan 8.230 nan 0.000 0.559 243 C N 1.692 121.013 119.300 0.035 0.000 2.580 243 C HA 0.195 4.655 4.460 -0.000 0.000 0.371 243 C C 0.589 175.593 174.990 0.023 0.000 1.308 243 C CA -0.471 58.562 59.018 0.024 0.000 2.428 243 C CB -0.039 27.718 27.740 0.029 0.000 2.529 243 C HN 0.512 nan 8.230 nan 0.000 0.657 244 D N 1.178 121.587 120.400 0.015 0.000 2.317 244 D HA 0.453 5.093 4.640 -0.000 0.000 0.252 244 D C -0.882 175.432 176.300 0.023 0.000 1.174 244 D CA 0.271 54.281 54.000 0.017 0.000 0.866 244 D CB 0.412 41.219 40.800 0.010 0.000 1.127 244 D HN 0.408 nan 8.370 nan 0.000 0.467 245 L N 2.031 123.272 121.223 0.030 0.000 2.327 245 L HA 0.591 4.931 4.340 -0.000 0.000 0.258 245 L C 0.249 177.145 176.870 0.044 0.000 1.024 245 L CA -1.153 53.711 54.840 0.040 0.000 0.825 245 L CB 1.811 43.901 42.059 0.051 0.000 1.386 245 L HN 0.394 nan 8.230 nan 0.000 0.417 246 A N 1.206 124.060 122.820 0.057 0.000 2.386 246 A HA 0.458 4.778 4.320 -0.000 0.000 0.248 246 A C -1.924 175.702 177.584 0.070 0.000 1.082 246 A CA -0.957 51.117 52.037 0.062 0.000 0.789 246 A CB -0.063 18.982 19.000 0.075 0.000 1.025 246 A HN 0.616 nan 8.150 nan 0.000 0.490 247 P HA -0.185 nan 4.420 nan 0.000 0.214 247 P C 1.008 178.341 177.300 0.056 0.000 1.163 247 P CA 1.741 64.869 63.100 0.047 0.000 0.889 247 P CB 0.105 31.828 31.700 0.038 0.000 0.790 248 E N -0.717 119.544 120.200 0.102 0.000 2.153 248 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 248 E C 2.048 178.737 176.600 0.148 0.000 0.988 248 E CA 1.020 57.496 56.400 0.128 0.000 0.811 248 E CB -0.454 29.433 29.700 0.312 0.000 0.746 248 E HN 0.175 nan 8.360 nan 0.000 0.466 249 A N 1.557 124.504 122.820 0.212 0.000 1.898 249 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 249 A C 2.106 179.746 177.584 0.094 0.000 1.181 249 A CA 1.296 53.466 52.037 0.221 0.000 0.620 249 A CB -0.390 18.715 19.000 0.175 0.000 0.819 249 A HN 0.064 nan 8.150 nan 0.000 0.442 250 R N -0.956 119.583 120.500 0.064 0.000 2.096 250 R HA -0.209 4.131 4.340 -0.000 0.000 0.235 250 R C 2.346 178.647 176.300 0.002 0.000 1.127 250 R CA 1.922 58.046 56.100 0.040 0.000 0.968 250 R CB -0.161 30.160 30.300 0.035 0.000 0.861 250 R HN 0.555 nan 8.270 nan 0.000 0.440 251 Q N -0.035 119.741 119.800 -0.039 0.000 2.137 251 Q HA 0.046 4.386 4.340 -0.000 0.000 0.198 251 Q C 1.747 177.651 176.000 -0.160 0.000 0.960 251 Q CA 1.708 57.456 55.803 -0.092 0.000 0.847 251 Q CB -0.123 28.545 28.738 -0.117 0.000 0.915 251 Q HN 0.381 nan 8.270 nan 0.000 0.448 252 A N 0.452 123.129 122.820 -0.238 0.000 1.908 252 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 252 A C 2.108 179.613 177.584 -0.131 0.000 1.181 252 A CA 1.556 53.387 52.037 -0.344 0.000 0.627 252 A CB -0.762 17.912 19.000 -0.544 0.000 0.818 252 A HN 0.476 nan 8.150 nan 0.000 0.445 253 I N -1.253 119.307 120.570 -0.016 0.000 2.252 253 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 253 I C 2.687 178.849 176.117 0.075 0.000 1.102 253 I CA 1.624 62.971 61.300 0.078 0.000 1.385 253 I CB -0.252 37.818 38.000 0.117 0.000 1.064 253 I HN 0.277 nan 8.210 nan 0.000 0.414 254 R N 1.098 121.613 120.500 0.025 0.000 2.081 254 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 254 R C 2.288 178.575 176.300 -0.022 0.000 1.131 254 R CA 1.949 58.060 56.100 0.018 0.000 0.960 254 R CB -0.701 29.597 30.300 -0.003 0.000 0.856 254 R HN 0.143 nan 8.270 nan 0.000 0.436 255 S N 0.249 115.902 115.700 -0.079 0.000 2.368 255 S HA -0.002 4.468 4.470 -0.000 0.000 0.224 255 S C 1.814 176.327 174.600 -0.145 0.000 1.029 255 S CA 1.146 59.277 58.200 -0.115 0.000 0.988 255 S CB -0.225 62.875 63.200 -0.167 0.000 0.838 255 S HN 0.259 nan 8.310 nan 0.000 0.462 256 L N 1.064 122.179 121.223 -0.181 0.000 2.083 256 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 256 L C 2.601 179.229 176.870 -0.404 0.000 1.083 256 L CA 1.115 55.734 54.840 -0.369 0.000 0.752 256 L CB -0.937 40.890 42.059 -0.386 0.000 0.899 256 L HN 0.317 nan 8.230 nan 0.000 0.433 257 T N -1.062 113.469 114.554 -0.038 0.000 2.746 257 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 257 T C 1.751 176.483 174.700 0.053 0.000 1.039 257 T CA 1.168 63.364 62.100 0.161 0.000 1.142 257 T CB -0.051 68.940 68.868 0.205 0.000 0.866 257 T HN 0.289 nan 8.240 nan 0.000 0.444 258 E N 0.828 121.024 120.200 -0.007 0.000 2.170 258 E HA 0.078 4.428 4.350 -0.000 0.000 0.191 258 E C 2.321 178.902 176.600 -0.032 0.000 0.981 258 E CA 0.531 56.926 56.400 -0.008 0.000 0.830 258 E CB -0.017 29.675 29.700 -0.012 0.000 0.775 258 E HN 0.438 nan 8.360 nan 0.000 0.470 259 R N -0.156 120.295 120.500 -0.082 0.000 2.254 259 R HA 0.119 4.459 4.340 -0.000 0.000 0.195 259 R C 1.772 177.999 176.300 -0.123 0.000 0.957 259 R CA 0.366 56.412 56.100 -0.089 0.000 1.024 259 R CB 0.375 30.613 30.300 -0.104 0.000 0.952 259 R HN 0.066 nan 8.270 nan 0.000 0.484 260 L N -2.413 118.696 121.223 -0.190 0.000 2.658 260 L HA 0.177 4.517 4.340 -0.000 0.000 0.201 260 L C 1.276 178.113 176.870 -0.055 0.000 1.050 260 L CA 0.562 55.280 54.840 -0.202 0.000 0.893 260 L CB -0.197 41.644 42.059 -0.362 0.000 1.503 260 L HN -0.193 nan 8.230 nan 0.000 0.485 261 Y N 1.691 121.995 120.300 0.006 0.000 2.200 261 Y HA -0.049 4.501 4.550 -0.000 0.000 0.290 261 Y C 2.520 178.413 175.900 -0.012 0.000 1.137 261 Y CA 1.674 59.784 58.100 0.017 0.000 1.163 261 Y CB -1.091 37.403 38.460 0.057 0.000 0.988 261 Y HN 0.377 nan 8.280 nan 0.000 0.518 262 I N -2.777 117.871 120.570 0.130 0.000 2.676 262 I HA 0.307 4.477 4.170 -0.000 0.000 0.259 262 I C 1.169 177.280 176.117 -0.011 0.000 1.194 262 I CA 1.099 62.430 61.300 0.052 0.000 1.473 262 I CB -0.431 37.593 38.000 0.041 0.000 1.096 262 I HN 0.128 nan 8.210 nan 0.000 0.443 263 G N -0.349 108.421 108.800 -0.051 0.000 2.336 263 G HA2 0.497 4.457 3.960 -0.000 0.000 0.286 263 G HA3 0.497 4.457 3.960 -0.000 0.000 0.286 263 G C -0.795 173.903 174.900 -0.337 0.000 1.269 263 G CA -0.207 44.779 45.100 -0.189 0.000 0.873 263 G HN 0.782 nan 8.290 nan 0.000 0.494 264 G N -1.028 107.238 108.800 -0.890 0.000 2.350 264 G HA2 0.616 4.575 3.960 -0.000 0.000 0.304 264 G HA3 0.616 4.575 3.960 -0.000 0.000 0.304 264 G C -3.478 170.681 174.900 -1.236 0.000 1.421 264 G CA 0.170 44.752 45.100 -0.865 0.000 0.934 264 G HN 0.828 nan 8.290 nan 0.000 0.632 265 P HA 0.473 nan 4.420 nan 0.000 0.274 265 P C -0.469 176.740 177.300 -0.152 0.000 1.231 265 P CA -0.223 62.778 63.100 -0.166 0.000 0.790 265 P CB 1.221 32.965 31.700 0.074 0.000 0.951 266 L N 2.050 123.235 121.223 -0.063 0.000 2.296 266 L HA 0.434 4.774 4.340 -0.000 0.000 0.286 266 L C 0.516 177.392 176.870 0.010 0.000 1.023 266 L CA -0.240 54.585 54.840 -0.026 0.000 0.812 266 L CB 1.494 43.576 42.059 0.037 0.000 1.223 266 L HN 0.283 nan 8.230 nan 0.000 0.421 267 T N 1.457 115.994 114.554 -0.027 0.000 2.829 267 T HA 0.354 4.704 4.350 -0.000 0.000 0.280 267 T C -0.169 174.514 174.700 -0.029 0.000 0.999 267 T CA -0.840 61.247 62.100 -0.021 0.000 0.983 267 T CB 1.499 70.342 68.868 -0.043 0.000 0.968 267 T HN 0.647 nan 8.240 nan 0.000 0.446 268 N N 0.554 119.253 118.700 -0.001 0.000 2.418 268 N HA 0.194 4.934 4.740 -0.000 0.000 0.283 268 N C 1.375 176.879 175.510 -0.009 0.000 1.267 268 N CA -0.463 52.588 53.050 0.002 0.000 0.975 268 N CB 0.077 38.576 38.487 0.019 0.000 1.167 268 N HN 0.424 nan 8.380 nan 0.000 0.581 269 S N -1.175 114.527 115.700 0.004 0.000 2.423 269 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 269 S C 1.015 175.615 174.600 -0.001 0.000 1.014 269 S CA 0.550 58.754 58.200 0.007 0.000 0.965 269 S CB -0.417 62.797 63.200 0.024 0.000 0.785 269 S HN 0.590 nan 8.310 nan 0.000 0.495 270 K N 1.015 121.415 120.400 0.001 0.000 2.487 270 K HA 0.212 4.532 4.320 -0.000 0.000 0.192 270 K C 1.211 177.806 176.600 -0.008 0.000 1.027 270 K CA 0.478 56.763 56.287 -0.002 0.000 1.054 270 K CB -0.208 32.293 32.500 0.002 0.000 0.824 270 K HN 0.589 nan 8.250 nan 0.000 0.510 271 G N 1.977 110.770 108.800 -0.011 0.000 2.141 271 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.242 271 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.242 271 G C -0.223 174.674 174.900 -0.005 0.000 0.982 271 G CA -0.046 45.044 45.100 -0.016 0.000 0.662 271 G HN 0.395 nan 8.290 nan 0.000 0.527 272 Q N 0.016 119.819 119.800 0.006 0.000 2.230 272 Q HA 0.352 4.692 4.340 -0.000 0.000 0.248 272 Q C 0.309 176.327 176.000 0.030 0.000 0.915 272 Q CA -0.605 55.209 55.803 0.018 0.000 0.900 272 Q CB 1.078 29.829 28.738 0.023 0.000 1.229 272 Q HN 0.388 nan 8.270 nan 0.000 0.439 273 N N 1.493 120.216 118.700 0.039 0.000 2.405 273 N HA 0.026 4.766 4.740 -0.000 0.000 0.260 273 N C -0.176 175.387 175.510 0.088 0.000 1.152 273 N CA -0.433 52.651 53.050 0.056 0.000 0.948 273 N CB 0.520 39.040 38.487 0.054 0.000 1.111 273 N HN 0.608 nan 8.380 nan 0.000 0.485 274 C N 2.998 122.369 119.300 0.118 0.000 2.533 274 C HA 0.358 4.817 4.460 -0.000 0.000 0.272 274 C C 1.346 176.499 174.990 0.273 0.000 1.371 274 C CA 0.413 59.556 59.018 0.209 0.000 1.758 274 C CB -1.192 26.705 27.740 0.262 0.000 1.972 274 C HN 0.957 nan 8.230 nan 0.000 0.522 275 G N -1.608 107.282 108.800 0.150 0.000 2.398 275 G HA2 0.320 4.280 3.960 -0.000 0.000 0.251 275 G HA3 0.320 4.280 3.960 -0.000 0.000 0.251 275 G C -2.165 172.770 174.900 0.060 0.000 1.277 275 G CA -0.399 44.742 45.100 0.067 0.000 0.927 275 G HN 0.016 nan 8.290 nan 0.000 0.477 276 Y N 0.608 120.791 120.300 -0.196 0.000 2.504 276 Y HA 0.756 5.306 4.550 -0.000 0.000 0.344 276 Y C 0.016 175.767 175.900 -0.249 0.000 1.023 276 Y CA -0.825 57.173 58.100 -0.170 0.000 1.020 276 Y CB 2.043 40.416 38.460 -0.146 0.000 1.282 276 Y HN 0.725 nan 8.280 nan 0.000 0.454 277 R N 4.317 124.547 120.500 -0.452 0.000 2.474 277 R HA 0.595 4.935 4.340 -0.000 0.000 0.295 277 R C -0.678 175.393 176.300 -0.382 0.000 0.980 277 R CA -0.560 55.239 56.100 -0.502 0.000 0.934 277 R CB 0.955 31.014 30.300 -0.403 0.000 1.101 277 R HN 0.913 nan 8.270 nan 0.000 0.469 278 R N 2.916 123.187 120.500 -0.382 0.000 2.615 278 R HA 0.207 4.547 4.340 -0.000 0.000 0.448 278 R C -0.623 175.529 176.300 -0.248 0.000 1.009 278 R CA -0.298 55.681 56.100 -0.201 0.000 1.111 278 R CB 0.546 30.774 30.300 -0.120 0.000 1.461 278 R HN 0.787 nan 8.270 nan 0.000 0.587 279 C N -1.654 117.449 119.300 -0.328 0.000 3.336 279 C HA 0.596 5.056 4.460 -0.000 0.000 0.352 279 C C 0.002 174.910 174.990 -0.138 0.000 1.567 279 C CA -1.481 57.390 59.018 -0.246 0.000 1.328 279 C CB 1.454 28.995 27.740 -0.331 0.000 1.922 279 C HN 0.425 nan 8.230 nan 0.000 0.439 280 R N 1.022 121.488 120.500 -0.058 0.000 2.537 280 R HA 0.425 4.765 4.340 -0.000 0.000 0.281 280 R C 0.118 176.460 176.300 0.070 0.000 0.988 280 R CA 0.982 57.099 56.100 0.029 0.000 1.077 280 R CB 0.086 30.433 30.300 0.079 0.000 0.932 280 R HN 1.119 nan 8.270 nan 0.000 0.409 281 A N 3.522 126.403 122.820 0.101 0.000 2.289 281 A HA 0.210 4.530 4.320 -0.000 0.000 0.298 281 A C 1.111 178.794 177.584 0.166 0.000 1.208 281 A CA -0.082 52.038 52.037 0.137 0.000 0.845 281 A CB 0.814 19.902 19.000 0.147 0.000 1.125 281 A HN 1.019 nan 8.150 nan 0.000 0.517 282 S N 2.381 118.193 115.700 0.187 0.000 2.419 282 S HA -0.047 4.423 4.470 -0.000 0.000 0.233 282 S C 1.212 175.920 174.600 0.180 0.000 1.016 282 S CA 1.155 59.466 58.200 0.184 0.000 0.974 282 S CB -0.170 63.144 63.200 0.191 0.000 0.786 282 S HN 1.259 nan 8.310 nan 0.000 0.492 283 G N 2.017 110.949 108.800 0.221 0.000 4.125 283 G HA2 0.513 4.473 3.960 -0.000 0.000 0.301 283 G HA3 0.513 4.473 3.960 -0.000 0.000 0.301 283 G C -0.036 175.006 174.900 0.236 0.000 1.273 283 G CA -0.108 45.133 45.100 0.234 0.000 1.095 283 G HN 0.550 nan 8.290 nan 0.000 0.582 284 V N -2.445 117.594 119.914 0.209 0.000 2.994 284 V HA 0.561 4.681 4.120 -0.000 0.000 0.318 284 V C 1.361 177.560 176.094 0.175 0.000 1.085 284 V CA -0.978 61.472 62.300 0.249 0.000 0.998 284 V CB 1.750 33.800 31.823 0.378 0.000 1.063 284 V HN 0.065 nan 8.190 nan 0.000 0.447 285 L N 2.075 123.412 121.223 0.191 0.000 2.201 285 L HA -0.018 4.322 4.340 -0.000 0.000 0.212 285 L C 2.367 179.272 176.870 0.058 0.000 1.105 285 L CA 2.786 57.711 54.840 0.142 0.000 0.775 285 L CB -0.538 41.623 42.059 0.171 0.000 0.913 285 L HN 1.074 nan 8.230 nan 0.000 0.440 286 T N -5.427 109.096 114.554 -0.052 0.000 3.113 286 T HA -0.105 4.245 4.350 -0.000 0.000 0.256 286 T C 1.803 176.463 174.700 -0.067 0.000 1.131 286 T CA 0.907 62.915 62.100 -0.154 0.000 1.074 286 T CB -0.827 67.761 68.868 -0.467 0.000 0.944 286 T HN 0.421 nan 8.240 nan 0.000 0.516 287 T N 0.787 115.335 114.554 -0.010 0.000 2.833 287 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 287 T C 2.151 176.889 174.700 0.064 0.000 1.054 287 T CA 1.802 63.930 62.100 0.045 0.000 1.135 287 T CB -0.716 68.207 68.868 0.091 0.000 0.869 287 T HN 0.443 nan 8.240 nan 0.000 0.466 288 S N -0.731 114.978 115.700 0.015 0.000 2.335 288 S HA -0.108 4.362 4.470 -0.000 0.000 0.217 288 S C 2.475 177.102 174.600 0.045 0.000 1.032 288 S CA 1.327 59.514 58.200 -0.022 0.000 0.985 288 S CB -1.167 61.901 63.200 -0.221 0.000 0.896 288 S HN 0.777 nan 8.310 nan 0.000 0.445 289 C N 1.484 120.792 119.300 0.013 0.000 2.413 289 C HA 0.049 4.509 4.460 -0.000 0.000 0.276 289 C C 2.850 177.913 174.990 0.121 0.000 1.236 289 C CA 1.291 60.348 59.018 0.064 0.000 1.735 289 C CB -1.841 25.907 27.740 0.013 0.000 2.031 289 C HN 0.713 nan 8.230 nan 0.000 0.474 290 G N 0.575 109.449 108.800 0.123 0.000 2.476 290 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 290 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 290 G C 1.519 176.519 174.900 0.166 0.000 1.164 290 G CA 1.222 46.395 45.100 0.121 0.000 0.768 290 G HN 0.634 nan 8.290 nan 0.000 0.560 291 N N 0.282 119.107 118.700 0.209 0.000 2.188 291 N HA -0.066 4.674 4.740 -0.000 0.000 0.184 291 N C 2.420 178.051 175.510 0.203 0.000 1.018 291 N CA 1.557 54.795 53.050 0.314 0.000 0.858 291 N CB -0.688 37.938 38.487 0.231 0.000 0.989 291 N HN 0.269 nan 8.380 nan 0.000 0.426 292 T N 2.160 116.818 114.554 0.173 0.000 2.643 292 T HA -0.020 4.330 4.350 -0.000 0.000 0.264 292 T C 2.213 177.023 174.700 0.183 0.000 1.045 292 T CA 0.776 62.984 62.100 0.179 0.000 1.155 292 T CB -0.446 68.594 68.868 0.287 0.000 0.863 292 T HN 0.100 nan 8.240 nan 0.000 0.420 293 L N 0.742 122.044 121.223 0.131 0.000 1.990 293 L HA -0.175 4.165 4.340 -0.000 0.000 0.213 293 L C 2.989 179.949 176.870 0.148 0.000 1.072 293 L CA 1.487 56.370 54.840 0.071 0.000 0.755 293 L CB -1.298 40.752 42.059 -0.014 0.000 0.889 293 L HN 0.284 nan 8.230 nan 0.000 0.432 294 T N -1.301 113.362 114.554 0.181 0.000 2.746 294 T HA -0.250 4.100 4.350 -0.000 0.000 0.267 294 T C 2.035 176.933 174.700 0.330 0.000 1.039 294 T CA 1.508 63.748 62.100 0.232 0.000 1.142 294 T CB -0.481 68.545 68.868 0.262 0.000 0.866 294 T HN 0.490 nan 8.240 nan 0.000 0.444 295 C N 0.513 120.050 119.300 0.395 0.000 2.436 295 C HA -0.094 4.366 4.460 -0.000 0.000 0.277 295 C C 2.368 177.514 174.990 0.260 0.000 1.241 295 C CA 0.647 59.869 59.018 0.340 0.000 1.721 295 C CB -1.405 26.394 27.740 0.099 0.000 2.043 295 C HN 0.668 nan 8.230 nan 0.000 0.472 296 Y N 1.011 121.369 120.300 0.096 0.000 2.128 296 Y HA -0.183 4.367 4.550 -0.000 0.000 0.284 296 Y C 2.241 178.160 175.900 0.033 0.000 1.154 296 Y CA 2.155 60.291 58.100 0.060 0.000 1.149 296 Y CB -0.557 37.930 38.460 0.045 0.000 0.976 296 Y HN 0.357 nan 8.280 nan 0.000 0.505 297 L N 1.159 122.561 121.223 0.297 0.000 1.989 297 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 297 L C 2.150 178.988 176.870 -0.053 0.000 1.071 297 L CA 2.082 56.965 54.840 0.072 0.000 0.749 297 L CB -0.849 41.182 42.059 -0.047 0.000 0.890 297 L HN 0.173 nan 8.230 nan 0.000 0.431 298 K N -0.573 119.853 120.400 0.043 0.000 2.026 298 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 298 K C 2.106 178.745 176.600 0.065 0.000 1.048 298 K CA 1.368 57.688 56.287 0.055 0.000 0.929 298 K CB -0.456 32.163 32.500 0.199 0.000 0.713 298 K HN 0.504 nan 8.250 nan 0.000 0.439 299 A N 1.047 123.894 122.820 0.045 0.000 1.902 299 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 299 A C 2.237 179.839 177.584 0.029 0.000 1.181 299 A CA 2.109 54.181 52.037 0.059 0.000 0.623 299 A CB -1.024 18.048 19.000 0.120 0.000 0.818 299 A HN 0.275 nan 8.150 nan 0.000 0.443 300 T N 0.477 114.943 114.554 -0.146 0.000 2.708 300 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 300 T C 2.242 176.907 174.700 -0.058 0.000 1.037 300 T CA 1.739 63.727 62.100 -0.187 0.000 1.146 300 T CB -0.558 68.097 68.868 -0.356 0.000 0.865 300 T HN 0.614 nan 8.240 nan 0.000 0.435 301 A N 1.572 124.376 122.820 -0.027 0.000 1.908 301 A HA 0.082 4.402 4.320 -0.000 0.000 0.218 301 A C 2.665 180.326 177.584 0.128 0.000 1.181 301 A CA 1.975 54.061 52.037 0.082 0.000 0.627 301 A CB -1.169 17.876 19.000 0.075 0.000 0.818 301 A HN 0.527 nan 8.150 nan 0.000 0.445 302 A N -1.013 121.869 122.820 0.104 0.000 1.933 302 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 302 A C 2.316 179.912 177.584 0.020 0.000 1.175 302 A CA 1.664 53.611 52.037 -0.150 0.000 0.628 302 A CB -1.291 17.189 19.000 -0.867 0.000 0.814 302 A HN 0.612 nan 8.150 nan 0.000 0.444 303 C N -0.686 118.725 119.300 0.185 0.000 2.413 303 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 303 C C 2.813 177.816 174.990 0.022 0.000 1.228 303 C CA 1.220 60.365 59.018 0.213 0.000 1.731 303 C CB -1.353 26.468 27.740 0.135 0.000 2.042 303 C HN 0.626 nan 8.230 nan 0.000 0.468 304 R N 1.134 121.569 120.500 -0.108 0.000 2.159 304 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 304 R C 2.187 178.199 176.300 -0.479 0.000 1.131 304 R CA 1.554 57.481 56.100 -0.289 0.000 0.982 304 R CB -0.441 29.616 30.300 -0.406 0.000 0.868 304 R HN 0.609 nan 8.270 nan 0.000 0.453 305 A N 1.137 123.724 122.820 -0.389 0.000 1.935 305 A HA 0.119 4.439 4.320 -0.000 0.000 0.214 305 A C 2.180 179.731 177.584 -0.056 0.000 1.178 305 A CA 1.054 52.966 52.037 -0.208 0.000 0.640 305 A CB -0.188 18.775 19.000 -0.063 0.000 0.825 305 A HN 0.325 nan 8.150 nan 0.000 0.447 306 A N -0.571 122.242 122.820 -0.010 0.000 2.238 306 A HA 0.234 4.554 4.320 -0.000 0.000 0.208 306 A C 0.842 178.448 177.584 0.038 0.000 1.177 306 A CA 0.587 52.655 52.037 0.052 0.000 0.804 306 A CB -0.603 18.497 19.000 0.165 0.000 0.823 306 A HN 0.476 nan 8.150 nan 0.000 0.482 307 K N -0.955 119.446 120.400 0.002 0.000 3.278 307 K HA -0.176 4.144 4.320 -0.000 0.000 0.270 307 K C -0.995 175.617 176.600 0.020 0.000 0.955 307 K CA 0.185 56.473 56.287 0.003 0.000 0.723 307 K CB -1.750 30.757 32.500 0.011 0.000 1.382 307 K HN 0.309 nan 8.250 nan 0.000 0.461 308 L N 1.371 122.616 121.223 0.035 0.000 2.417 308 L HA 0.101 4.441 4.340 -0.000 0.000 0.268 308 L C 1.079 177.958 176.870 0.014 0.000 1.158 308 L CA 0.464 55.327 54.840 0.038 0.000 0.819 308 L CB 0.772 42.875 42.059 0.072 0.000 1.112 308 L HN 0.134 nan 8.230 nan 0.000 0.458 309 Q N 1.963 121.766 119.800 0.005 0.000 2.261 309 Q HA 0.108 4.448 4.340 -0.000 0.000 0.252 309 Q C -0.612 175.375 176.000 -0.022 0.000 0.915 309 Q CA -0.494 55.303 55.803 -0.009 0.000 0.915 309 Q CB 0.779 29.508 28.738 -0.014 0.000 1.204 309 Q HN 0.512 nan 8.270 nan 0.000 0.421 310 D N 0.588 120.974 120.400 -0.023 0.000 2.916 310 D HA -0.184 4.455 4.640 -0.000 0.000 0.211 310 D C -0.550 175.725 176.300 -0.042 0.000 1.260 310 D CA 0.603 54.585 54.000 -0.031 0.000 0.711 310 D CB -1.446 39.328 40.800 -0.043 0.000 0.915 310 D HN 0.394 nan 8.370 nan 0.000 0.391 311 C N 0.877 120.158 119.300 -0.033 0.000 2.593 311 C HA 0.399 4.859 4.460 -0.000 0.000 0.409 311 C C 1.175 176.139 174.990 -0.044 0.000 1.304 311 C CA -0.081 58.908 59.018 -0.048 0.000 2.007 311 C CB 0.641 28.357 27.740 -0.040 0.000 2.614 311 C HN 0.383 nan 8.230 nan 0.000 0.585 312 T N 5.484 120.002 114.554 -0.061 0.000 2.841 312 T HA 0.572 4.922 4.350 -0.000 0.000 0.285 312 T C -0.308 174.384 174.700 -0.014 0.000 0.991 312 T CA -0.312 61.782 62.100 -0.010 0.000 0.966 312 T CB 0.915 69.769 68.868 -0.024 0.000 0.962 312 T HN 0.725 nan 8.240 nan 0.000 0.438 313 M N 2.453 122.081 119.600 0.046 0.000 2.724 313 M HA 0.884 5.364 4.480 -0.000 0.000 0.310 313 M C -1.598 174.803 176.300 0.169 0.000 1.217 313 M CA -1.375 53.946 55.300 0.034 0.000 0.894 313 M CB 1.729 34.297 32.600 -0.054 0.000 1.719 313 M HN 0.381 nan 8.290 nan 0.000 0.479 314 L N 1.871 123.157 121.223 0.104 0.000 2.438 314 L HA 0.766 5.106 4.340 -0.000 0.000 0.270 314 L C -1.718 175.149 176.870 -0.006 0.000 0.972 314 L CA -0.427 54.470 54.840 0.094 0.000 0.831 314 L CB 2.192 44.322 42.059 0.118 0.000 1.273 314 L HN 0.683 nan 8.230 nan 0.000 0.405 315 V N 4.322 124.213 119.914 -0.037 0.000 2.656 315 V HA 0.638 4.758 4.120 -0.000 0.000 0.307 315 V C -0.729 175.180 176.094 -0.309 0.000 1.051 315 V CA -0.766 61.487 62.300 -0.078 0.000 0.893 315 V CB 2.093 33.974 31.823 0.095 0.000 0.999 315 V HN 0.800 nan 8.190 nan 0.000 0.426 316 N N 3.148 121.638 118.700 -0.351 0.000 2.533 316 N HA 0.467 5.207 4.740 -0.000 0.000 0.289 316 N C 0.555 175.972 175.510 -0.154 0.000 1.103 316 N CA 0.266 52.918 53.050 -0.662 0.000 0.877 316 N CB 2.362 40.347 38.487 -0.837 0.000 1.419 316 N HN 1.042 nan 8.380 nan 0.000 0.517 317 G N 3.376 112.260 108.800 0.139 0.000 2.665 317 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.326 317 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.326 317 G C 0.363 175.162 174.900 -0.168 0.000 1.231 317 G CA 1.047 46.199 45.100 0.086 0.000 0.992 317 G HN 0.730 nan 8.290 nan 0.000 0.549 318 D N 1.065 121.280 120.400 -0.309 0.000 2.363 318 D HA 0.126 4.766 4.640 -0.000 0.000 0.214 318 D C -0.339 175.826 176.300 -0.225 0.000 1.093 318 D CA 0.186 53.819 54.000 -0.610 0.000 0.837 318 D CB 0.023 40.329 40.800 -0.823 0.000 0.948 318 D HN 0.377 nan 8.370 nan 0.000 0.507 319 D N 1.607 121.933 120.400 -0.124 0.000 2.336 319 D HA 0.232 4.872 4.640 -0.000 0.000 0.249 319 D C -0.433 175.838 176.300 -0.048 0.000 1.213 319 D CA -0.265 53.700 54.000 -0.060 0.000 0.870 319 D CB 1.852 42.612 40.800 -0.065 0.000 1.076 319 D HN 0.182 nan 8.370 nan 0.000 0.483 320 L N 3.366 124.600 121.223 0.019 0.000 2.365 320 L HA 0.551 4.891 4.340 -0.000 0.000 0.273 320 L C -1.352 175.495 176.870 -0.038 0.000 1.000 320 L CA -0.792 54.059 54.840 0.018 0.000 0.819 320 L CB 2.146 44.274 42.059 0.116 0.000 1.284 320 L HN 0.086 nan 8.230 nan 0.000 0.418 321 V N 6.288 126.131 119.914 -0.119 0.000 2.569 321 V HA 0.707 4.827 4.120 -0.000 0.000 0.301 321 V C -1.686 174.218 176.094 -0.316 0.000 1.044 321 V CA -0.345 61.828 62.300 -0.212 0.000 0.874 321 V CB 2.101 33.847 31.823 -0.128 0.000 1.002 321 V HN 0.784 nan 8.190 nan 0.000 0.424 322 V N 8.041 127.576 119.914 -0.632 0.000 2.540 322 V HA 0.686 4.806 4.120 -0.000 0.000 0.302 322 V C -0.758 175.078 176.094 -0.431 0.000 1.035 322 V CA -0.442 61.516 62.300 -0.571 0.000 0.873 322 V CB 1.791 33.174 31.823 -0.732 0.000 0.992 322 V HN 0.803 nan 8.190 nan 0.000 0.428 323 I N 7.901 128.346 120.570 -0.209 0.000 2.390 323 I HA 0.494 4.664 4.170 -0.000 0.000 0.283 323 I C 0.153 176.187 176.117 -0.140 0.000 1.016 323 I CA -0.417 60.814 61.300 -0.115 0.000 1.151 323 I CB 1.114 39.090 38.000 -0.040 0.000 1.293 323 I HN 0.941 nan 8.210 nan 0.000 0.458 324 C N 3.160 122.385 119.300 -0.124 0.000 2.871 324 C HA 0.589 5.049 4.460 -0.000 0.000 0.351 324 C C -0.013 174.898 174.990 -0.132 0.000 1.338 324 C CA -0.859 58.097 59.018 -0.102 0.000 1.686 324 C CB 1.877 29.596 27.740 -0.034 0.000 2.135 324 C HN 0.584 nan 8.230 nan 0.000 0.476 325 E N 1.830 121.971 120.200 -0.098 0.000 2.257 325 E HA 0.208 4.557 4.350 -0.000 0.000 0.278 325 E C 0.112 176.684 176.600 -0.047 0.000 1.049 325 E CA 0.529 56.872 56.400 -0.096 0.000 0.876 325 E CB 1.510 31.167 29.700 -0.070 0.000 1.035 325 E HN 0.742 nan 8.360 nan 0.000 0.419 326 S N 2.066 117.746 115.700 -0.033 0.000 2.533 326 S HA 0.216 4.685 4.470 -0.000 0.000 0.282 326 S C 0.401 175.014 174.600 0.022 0.000 1.304 326 S CA 0.004 58.233 58.200 0.047 0.000 1.063 326 S CB 0.381 63.656 63.200 0.126 0.000 0.881 326 S HN 0.496 nan 8.310 nan 0.000 0.493 327 A N 3.947 126.787 122.820 0.033 0.000 2.713 327 A HA 0.644 4.964 4.320 -0.000 0.000 0.296 327 A C 0.816 178.409 177.584 0.016 0.000 1.255 327 A CA 0.055 52.101 52.037 0.015 0.000 0.955 327 A CB -0.902 18.106 19.000 0.013 0.000 1.149 327 A HN 1.879 nan 8.150 nan 0.000 0.538 328 G N -1.093 107.719 108.800 0.019 0.000 3.055 328 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.686 328 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.686 328 G C 0.402 175.316 174.900 0.023 0.000 1.087 328 G CA -0.252 44.848 45.100 0.000 0.000 0.779 328 G HN 0.404 nan 8.290 nan 0.000 0.599 329 T N 1.441 115.987 114.554 -0.012 0.000 2.536 329 T HA -0.312 4.038 4.350 -0.000 0.000 0.263 329 T C 2.389 177.119 174.700 0.050 0.000 1.115 329 T CA 2.619 64.734 62.100 0.025 0.000 1.180 329 T CB -0.356 68.483 68.868 -0.047 0.000 0.864 329 T HN 0.731 nan 8.240 nan 0.000 0.419 330 Q N 0.744 120.555 119.800 0.019 0.000 2.096 330 Q HA -0.166 4.174 4.340 -0.000 0.000 0.208 330 Q C 2.394 178.406 176.000 0.021 0.000 0.993 330 Q CA 1.727 57.540 55.803 0.017 0.000 0.862 330 Q CB -0.276 28.466 28.738 0.006 0.000 0.915 330 Q HN 0.523 nan 8.270 nan 0.000 0.416 331 E N 0.527 120.739 120.200 0.020 0.000 2.048 331 E HA -0.226 4.124 4.350 -0.000 0.000 0.202 331 E C 1.737 178.351 176.600 0.023 0.000 1.021 331 E CA 1.626 58.037 56.400 0.019 0.000 0.825 331 E CB -0.687 29.024 29.700 0.019 0.000 0.756 331 E HN 0.472 nan 8.360 nan 0.000 0.454 332 D N 0.836 121.264 120.400 0.047 0.000 2.158 332 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 332 D C 1.827 178.120 176.300 -0.010 0.000 0.995 332 D CA 1.700 55.724 54.000 0.041 0.000 0.846 332 D CB -0.364 40.520 40.800 0.140 0.000 0.941 332 D HN 0.269 nan 8.370 nan 0.000 0.456 333 A N 0.690 123.516 122.820 0.010 0.000 1.930 333 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 333 A C 2.287 179.854 177.584 -0.028 0.000 1.175 333 A CA 1.945 53.972 52.037 -0.016 0.000 0.627 333 A CB -0.569 18.436 19.000 0.008 0.000 0.815 333 A HN 0.240 nan 8.150 nan 0.000 0.443 334 A N -0.303 122.510 122.820 -0.011 0.000 1.968 334 A HA 0.286 4.606 4.320 -0.000 0.000 0.217 334 A C 2.417 179.997 177.584 -0.007 0.000 1.169 334 A CA 1.650 53.684 52.037 -0.006 0.000 0.638 334 A CB -0.779 18.222 19.000 0.002 0.000 0.812 334 A HN 0.924 nan 8.150 nan 0.000 0.446 335 A N -0.395 122.415 122.820 -0.015 0.000 1.898 335 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 335 A C 2.006 179.582 177.584 -0.013 0.000 1.181 335 A CA 1.534 53.568 52.037 -0.004 0.000 0.620 335 A CB -0.516 18.481 19.000 -0.006 0.000 0.819 335 A HN 0.403 nan 8.150 nan 0.000 0.442 336 L N -0.709 120.441 121.223 -0.122 0.000 2.201 336 L HA -0.064 4.276 4.340 -0.000 0.000 0.212 336 L C 2.630 179.502 176.870 0.004 0.000 1.105 336 L CA 1.254 55.983 54.840 -0.186 0.000 0.775 336 L CB -0.353 41.459 42.059 -0.412 0.000 0.913 336 L HN 0.306 nan 8.230 nan 0.000 0.440 337 R N -0.963 119.535 120.500 -0.003 0.000 2.075 337 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 337 R C 2.310 178.634 176.300 0.040 0.000 1.126 337 R CA 1.311 57.424 56.100 0.022 0.000 0.963 337 R CB -0.418 29.885 30.300 0.004 0.000 0.858 337 R HN 0.398 nan 8.270 nan 0.000 0.435 338 A N 0.651 123.494 122.820 0.038 0.000 1.855 338 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 338 A C 1.954 179.555 177.584 0.027 0.000 1.191 338 A CA 1.093 53.144 52.037 0.024 0.000 0.613 338 A CB -0.764 18.251 19.000 0.026 0.000 0.829 338 A HN 0.400 nan 8.150 nan 0.000 0.442 339 F N 1.516 121.430 119.950 -0.059 0.000 2.115 339 F HA -0.239 4.288 4.527 -0.000 0.000 0.300 339 F C 2.366 178.128 175.800 -0.062 0.000 1.092 339 F CA 2.477 60.444 58.000 -0.056 0.000 1.245 339 F CB -0.548 38.428 39.000 -0.040 0.000 0.995 339 F HN 0.212 nan 8.300 nan 0.000 0.481 340 T N -0.050 114.599 114.554 0.158 0.000 2.857 340 T HA -0.145 4.204 4.350 -0.000 0.000 0.266 340 T C 1.650 176.336 174.700 -0.024 0.000 1.048 340 T CA 1.534 63.719 62.100 0.142 0.000 1.139 340 T CB -0.281 68.745 68.868 0.263 0.000 0.874 340 T HN 0.418 nan 8.240 nan 0.000 0.455 341 E N 1.043 121.212 120.200 -0.051 0.000 2.150 341 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 341 E C 2.430 178.913 176.600 -0.195 0.000 0.985 341 E CA 0.877 57.226 56.400 -0.087 0.000 0.814 341 E CB -0.118 29.545 29.700 -0.062 0.000 0.752 341 E HN 0.478 nan 8.360 nan 0.000 0.466 342 A N 1.070 123.711 122.820 -0.297 0.000 1.874 342 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 342 A C 2.135 179.334 177.584 -0.642 0.000 1.189 342 A CA 0.767 52.493 52.037 -0.518 0.000 0.615 342 A CB -0.164 18.546 19.000 -0.483 0.000 0.830 342 A HN 0.074 nan 8.150 nan 0.000 0.443 343 M N 0.065 119.361 119.600 -0.506 0.000 2.108 343 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 343 M C 2.149 178.387 176.300 -0.104 0.000 1.066 343 M CA 2.025 57.147 55.300 -0.297 0.000 1.107 343 M CB -1.868 30.503 32.600 -0.381 0.000 1.356 343 M HN 0.441 nan 8.290 nan 0.000 0.406 344 T N -0.431 114.069 114.554 -0.089 0.000 2.788 344 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 344 T C 2.009 176.665 174.700 -0.074 0.000 1.044 344 T CA 1.285 63.368 62.100 -0.028 0.000 1.139 344 T CB -0.199 68.656 68.868 -0.021 0.000 0.867 344 T HN 0.329 nan 8.240 nan 0.000 0.454 345 R N -0.144 120.243 120.500 -0.187 0.000 2.075 345 R HA 0.005 4.345 4.340 -0.000 0.000 0.232 345 R C 1.864 178.097 176.300 -0.111 0.000 1.126 345 R CA 1.271 57.254 56.100 -0.196 0.000 0.963 345 R CB -0.291 29.817 30.300 -0.321 0.000 0.858 345 R HN 0.541 nan 8.270 nan 0.000 0.435 346 Y N -0.236 120.019 120.300 -0.075 0.000 2.680 346 Y HA -0.085 4.465 4.550 -0.000 0.000 0.303 346 Y C 0.800 176.662 175.900 -0.065 0.000 1.166 346 Y CA 0.226 58.269 58.100 -0.094 0.000 1.344 346 Y CB 0.261 38.694 38.460 -0.045 0.000 1.002 346 Y HN 0.114 nan 8.280 nan 0.000 0.537 347 S N 0.179 115.929 115.700 0.084 0.000 4.044 347 S HA -0.115 4.355 4.470 -0.000 0.000 0.371 347 S C -0.431 174.215 174.600 0.078 0.000 0.977 347 S CA 0.211 58.449 58.200 0.064 0.000 1.092 347 S CB -1.432 61.791 63.200 0.038 0.000 0.845 347 S HN 0.681 nan 8.310 nan 0.000 0.496 348 A N 1.871 124.759 122.820 0.114 0.000 3.399 348 A HA 0.591 4.911 4.320 -0.000 0.000 0.262 348 A C -2.586 175.149 177.584 0.251 0.000 1.145 348 A CA -0.501 51.650 52.037 0.190 0.000 0.916 348 A CB 1.052 20.212 19.000 0.267 0.000 1.360 348 A HN 0.425 nan 8.150 nan 0.000 0.628 349 P HA 0.379 nan 4.420 nan 0.000 0.277 349 P C -2.835 174.563 177.300 0.163 0.000 1.240 349 P CA -1.330 61.866 63.100 0.159 0.000 0.798 349 P CB 0.917 32.642 31.700 0.041 0.000 0.979 350 P HA 0.045 nan 4.420 nan 0.000 0.274 350 P C 0.815 178.062 177.300 -0.089 0.000 1.237 350 P CA 0.143 63.153 63.100 -0.150 0.000 0.793 350 P CB 0.581 32.124 31.700 -0.262 0.000 0.977 351 G N 0.839 109.569 108.800 -0.116 0.000 2.408 351 G HA2 0.009 3.969 3.960 -0.000 0.000 0.213 351 G HA3 0.009 3.969 3.960 -0.000 0.000 0.213 351 G C 0.044 174.905 174.900 -0.065 0.000 1.177 351 G CA 0.368 45.433 45.100 -0.058 0.000 0.802 351 G HN 0.494 nan 8.290 nan 0.000 0.533 352 D N 0.063 120.406 120.400 -0.094 0.000 2.780 352 D HA 0.360 5.000 4.640 -0.000 0.000 0.242 352 D C -2.787 173.462 176.300 -0.086 0.000 1.135 352 D CA -1.093 52.866 54.000 -0.069 0.000 0.859 352 D CB 2.397 43.166 40.800 -0.052 0.000 1.530 352 D HN -0.104 nan 8.370 nan 0.000 0.493 353 P HA 0.109 nan 4.420 nan 0.000 0.264 353 P C -2.327 174.958 177.300 -0.026 0.000 1.183 353 P CA -0.675 62.410 63.100 -0.025 0.000 0.763 353 P CB -0.147 31.548 31.700 -0.010 0.000 0.807 354 P HA 0.106 nan 4.420 nan 0.000 0.275 354 P C -0.908 176.350 177.300 -0.069 0.000 1.227 354 P CA -0.027 63.080 63.100 0.012 0.000 0.781 354 P CB 0.847 32.613 31.700 0.111 0.000 0.906 355 Q N 3.636 123.411 119.800 -0.042 0.000 2.322 355 Q HA 0.389 4.729 4.340 -0.000 0.000 0.265 355 Q C -2.169 173.778 176.000 -0.089 0.000 0.985 355 Q CA -2.147 53.620 55.803 -0.060 0.000 0.849 355 Q CB 1.667 30.394 28.738 -0.019 0.000 1.274 355 Q HN 0.394 nan 8.270 nan 0.000 0.449 356 P HA 0.092 nan 4.420 nan 0.000 0.276 356 P C -0.837 176.284 177.300 -0.299 0.000 1.230 356 P CA -0.084 62.877 63.100 -0.232 0.000 0.776 356 P CB 1.142 32.696 31.700 -0.244 0.000 0.888 357 E N 1.517 121.521 120.200 -0.325 0.000 2.227 357 E HA 0.388 4.738 4.350 -0.000 0.000 0.268 357 E C -0.698 175.664 176.600 -0.397 0.000 0.907 357 E CA -0.443 55.804 56.400 -0.254 0.000 0.786 357 E CB 1.109 30.772 29.700 -0.061 0.000 1.191 357 E HN 0.365 nan 8.360 nan 0.000 0.411 358 Y N -0.245 120.191 120.300 0.226 0.000 2.588 358 Y HA 0.302 4.852 4.550 -0.000 0.000 0.247 358 Y C -0.075 176.039 175.900 0.358 0.000 1.157 358 Y CA -0.469 57.843 58.100 0.353 0.000 1.215 358 Y CB 1.185 39.764 38.460 0.198 0.000 1.245 358 Y HN 0.294 nan 8.280 nan 0.000 0.534 359 D N 0.869 121.369 120.400 0.166 0.000 2.469 359 D HA 0.108 4.748 4.640 -0.000 0.000 0.251 359 D C 0.729 176.766 176.300 -0.438 0.000 1.173 359 D CA -0.217 53.745 54.000 -0.063 0.000 0.882 359 D CB 1.785 42.586 40.800 0.002 0.000 1.129 359 D HN 0.168 nan 8.370 nan 0.000 0.549 360 L N 4.352 124.951 121.223 -1.041 0.000 2.089 360 L HA -0.128 4.212 4.340 -0.000 0.000 0.213 360 L C 1.838 178.386 176.870 -0.537 0.000 1.079 360 L CA 1.939 56.092 54.840 -1.146 0.000 0.758 360 L CB -0.306 40.858 42.059 -1.492 0.000 0.891 360 L HN 0.566 nan 8.230 nan 0.000 0.433 361 E N -1.181 118.804 120.200 -0.358 0.000 2.333 361 E HA -0.193 4.157 4.350 -0.000 0.000 0.198 361 E C 1.694 178.198 176.600 -0.159 0.000 1.007 361 E CA 0.461 56.739 56.400 -0.203 0.000 0.845 361 E CB 0.066 29.702 29.700 -0.106 0.000 0.766 361 E HN 0.393 nan 8.360 nan 0.000 0.507 362 L N 0.706 121.829 121.223 -0.167 0.000 2.509 362 L HA 0.180 4.520 4.340 -0.000 0.000 0.222 362 L C 0.692 177.502 176.870 -0.100 0.000 1.123 362 L CA 0.566 55.343 54.840 -0.103 0.000 0.856 362 L CB -0.044 41.977 42.059 -0.062 0.000 0.985 362 L HN 0.083 nan 8.230 nan 0.000 0.456 363 I N -0.261 120.222 120.570 -0.146 0.000 2.371 363 I HA 0.094 4.264 4.170 -0.000 0.000 0.290 363 I C 0.548 176.610 176.117 -0.091 0.000 1.028 363 I CA 0.084 61.320 61.300 -0.107 0.000 1.345 363 I CB 1.102 39.023 38.000 -0.132 0.000 1.407 363 I HN -0.032 nan 8.210 nan 0.000 0.501 364 T N 4.713 119.235 114.554 -0.054 0.000 2.829 364 T HA 0.555 4.905 4.350 -0.000 0.000 0.280 364 T C -0.768 173.917 174.700 -0.026 0.000 0.999 364 T CA -0.379 61.697 62.100 -0.041 0.000 0.983 364 T CB 1.213 70.063 68.868 -0.030 0.000 0.968 364 T HN 0.626 nan 8.240 nan 0.000 0.446 365 S N 2.714 118.403 115.700 -0.019 0.000 2.543 365 S HA 0.474 4.944 4.470 -0.000 0.000 0.273 365 S C 0.143 174.749 174.600 0.010 0.000 1.152 365 S CA -0.017 58.176 58.200 -0.012 0.000 0.910 365 S CB 0.441 63.619 63.200 -0.036 0.000 1.105 365 S HN 1.210 nan 8.310 nan 0.000 0.465 366 C N 2.770 122.083 119.300 0.021 0.000 4.741 366 C HA -0.157 4.303 4.460 -0.000 0.000 0.252 366 C C 1.205 176.250 174.990 0.091 0.000 1.314 366 C CA 0.857 59.909 59.018 0.056 0.000 1.567 366 C CB -2.755 25.023 27.740 0.063 0.000 1.662 366 C HN 1.731 nan 8.230 nan 0.000 0.684 367 S N -1.404 114.333 115.700 0.060 0.000 3.091 367 S HA -0.167 4.303 4.470 -0.000 0.000 0.275 367 S C 0.200 174.831 174.600 0.052 0.000 1.306 367 S CA 1.414 59.645 58.200 0.051 0.000 1.083 367 S CB -1.412 61.829 63.200 0.068 0.000 1.313 367 S HN 1.945 nan 8.310 nan 0.000 0.673 368 S N 1.528 117.271 115.700 0.071 0.000 2.715 368 S HA 0.866 5.335 4.470 -0.000 0.000 0.307 368 S C -0.770 173.839 174.600 0.015 0.000 1.119 368 S CA -0.226 58.025 58.200 0.085 0.000 0.937 368 S CB 2.254 65.584 63.200 0.216 0.000 1.150 368 S HN 0.659 nan 8.310 nan 0.000 0.521 369 N N -0.846 117.850 118.700 -0.005 0.000 2.710 369 N HA 0.310 5.050 4.740 -0.000 0.000 0.257 369 N C -1.732 173.703 175.510 -0.125 0.000 1.327 369 N CA -0.664 52.342 53.050 -0.074 0.000 0.861 369 N CB 1.411 39.847 38.487 -0.085 0.000 1.532 369 N HN 0.485 nan 8.380 nan 0.000 0.499 370 V N 0.506 120.318 119.914 -0.171 0.000 2.649 370 V HA 0.507 4.627 4.120 -0.000 0.000 0.292 370 V C 0.396 176.368 176.094 -0.203 0.000 1.055 370 V CA -0.016 62.157 62.300 -0.213 0.000 1.023 370 V CB 1.100 32.781 31.823 -0.237 0.000 0.992 370 V HN 0.823 nan 8.190 nan 0.000 0.480 371 S N 2.540 118.082 115.700 -0.263 0.000 2.618 371 S HA 0.789 5.259 4.470 -0.000 0.000 0.277 371 S C -1.125 173.570 174.600 0.158 0.000 1.138 371 S CA -0.509 57.620 58.200 -0.119 0.000 0.844 371 S CB 2.041 65.111 63.200 -0.216 0.000 1.127 371 S HN 0.429 nan 8.310 nan 0.000 0.474 372 V N 1.716 121.759 119.914 0.214 0.000 2.667 372 V HA 0.987 5.106 4.120 -0.000 0.000 0.308 372 V C 0.415 176.528 176.094 0.031 0.000 1.048 372 V CA -0.204 62.139 62.300 0.073 0.000 0.928 372 V CB 0.990 32.726 31.823 -0.145 0.000 1.004 372 V HN 1.120 nan 8.190 nan 0.000 0.444 373 A N 2.636 125.302 122.820 -0.257 0.000 2.535 373 A HA 0.943 5.263 4.320 -0.000 0.000 0.296 373 A C -1.531 175.628 177.584 -0.708 0.000 1.248 373 A CA -0.565 51.208 52.037 -0.440 0.000 0.686 373 A CB 1.680 20.258 19.000 -0.702 0.000 1.315 373 A HN 0.933 nan 8.150 nan 0.000 0.460 374 H N -0.004 118.788 119.070 -0.464 0.000 2.851 374 H HA 0.486 5.042 4.556 -0.000 0.000 0.372 374 H C -0.734 174.212 175.328 -0.636 0.000 1.158 374 H CA -0.313 55.479 56.048 -0.427 0.000 1.159 374 H CB 1.473 31.070 29.762 -0.275 0.000 1.757 374 H HN 0.799 nan 8.280 nan 0.000 0.546 375 D N 0.937 121.154 120.400 -0.305 0.000 2.530 375 D HA 0.254 4.894 4.640 -0.000 0.000 0.282 375 D C 1.250 177.461 176.300 -0.149 0.000 1.204 375 D CA -0.211 53.631 54.000 -0.262 0.000 1.093 375 D CB 0.702 41.423 40.800 -0.130 0.000 1.154 375 D HN 0.520 nan 8.370 nan 0.000 0.593 376 A N 0.294 123.102 122.820 -0.020 0.000 1.884 376 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 376 A C 2.181 179.827 177.584 0.103 0.000 1.197 376 A CA 3.402 55.486 52.037 0.078 0.000 0.637 376 A CB -1.235 17.801 19.000 0.059 0.000 0.827 376 A HN 0.660 nan 8.150 nan 0.000 0.450 377 S N -1.766 113.967 115.700 0.056 0.000 2.593 377 S HA 0.386 4.856 4.470 -0.000 0.000 0.217 377 S C 1.295 175.935 174.600 0.066 0.000 0.966 377 S CA 1.044 59.277 58.200 0.054 0.000 0.914 377 S CB -0.412 62.807 63.200 0.031 0.000 0.776 377 S HN 2.095 nan 8.310 nan 0.000 0.523 378 G N 1.770 110.622 108.800 0.088 0.000 2.160 378 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.251 378 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.251 378 G C 0.086 175.067 174.900 0.136 0.000 1.008 378 G CA 0.289 45.465 45.100 0.126 0.000 0.724 378 G HN 0.562 nan 8.290 nan 0.000 0.514 379 K N 1.201 121.625 120.400 0.040 0.000 2.278 379 K HA 0.222 4.542 4.320 -0.000 0.000 0.237 379 K C 1.047 177.581 176.600 -0.109 0.000 1.229 379 K CA -0.627 55.657 56.287 -0.005 0.000 1.155 379 K CB -0.370 32.118 32.500 -0.020 0.000 1.590 379 K HN 0.460 nan 8.250 nan 0.000 0.290 380 R N 0.814 121.209 120.500 -0.174 0.000 3.599 380 R HA -0.169 4.171 4.340 -0.000 0.000 0.144 380 R C -0.215 175.796 176.300 -0.482 0.000 0.500 380 R CA 0.160 55.945 56.100 -0.525 0.000 0.719 380 R CB -0.714 29.331 30.300 -0.424 0.000 1.491 380 R HN 0.193 nan 8.270 nan 0.000 0.404 381 V N 4.473 124.106 119.914 -0.469 0.000 2.644 381 V HA 0.296 4.416 4.120 -0.000 0.000 0.295 381 V C 0.073 176.020 176.094 -0.244 0.000 1.053 381 V CA -0.391 61.735 62.300 -0.290 0.000 0.987 381 V CB 1.263 32.944 31.823 -0.237 0.000 1.006 381 V HN 0.372 nan 8.190 nan 0.000 0.472 382 Y N 3.627 123.909 120.300 -0.030 0.000 2.446 382 Y HA 0.706 5.256 4.550 -0.000 0.000 0.338 382 Y C -0.154 175.847 175.900 0.169 0.000 1.055 382 Y CA -0.516 57.617 58.100 0.056 0.000 1.101 382 Y CB 1.913 40.365 38.460 -0.014 0.000 1.221 382 Y HN 0.733 nan 8.280 nan 0.000 0.460 383 Y N -0.031 120.343 120.300 0.123 0.000 2.764 383 Y HA 0.596 5.146 4.550 -0.000 0.000 0.331 383 Y C -2.462 173.475 175.900 0.060 0.000 1.280 383 Y CA -2.115 56.014 58.100 0.048 0.000 1.065 383 Y CB 0.860 39.319 38.460 -0.002 0.000 1.319 383 Y HN 0.462 nan 8.280 nan 0.000 0.453 384 L N 2.422 123.602 121.223 -0.071 0.000 2.296 384 L HA 0.626 4.966 4.340 -0.000 0.000 0.286 384 L C -0.377 176.529 176.870 0.060 0.000 1.023 384 L CA -0.002 54.792 54.840 -0.076 0.000 0.812 384 L CB 1.565 43.643 42.059 0.032 0.000 1.223 384 L HN 1.101 nan 8.230 nan 0.000 0.421 385 T N 5.134 119.684 114.554 -0.007 0.000 2.693 385 T HA 0.677 5.027 4.350 -0.000 0.000 0.278 385 T C -1.013 173.755 174.700 0.114 0.000 0.994 385 T CA -0.546 61.645 62.100 0.152 0.000 1.033 385 T CB 1.971 70.873 68.868 0.058 0.000 1.342 385 T HN 0.742 nan 8.240 nan 0.000 0.538 386 R N 1.047 121.561 120.500 0.024 0.000 2.753 386 R HA 0.182 4.522 4.340 -0.000 0.000 0.272 386 R C -1.951 174.155 176.300 -0.322 0.000 1.034 386 R CA -0.519 55.495 56.100 -0.143 0.000 0.869 386 R CB 1.257 31.409 30.300 -0.247 0.000 1.264 386 R HN 0.793 nan 8.270 nan 0.000 0.481 387 D N 3.670 123.902 120.400 -0.280 0.000 2.493 387 D HA 0.047 4.687 4.640 -0.000 0.000 0.240 387 D C -1.529 174.425 176.300 -0.577 0.000 1.142 387 D CA -1.013 52.779 54.000 -0.345 0.000 0.872 387 D CB 1.407 42.086 40.800 -0.202 0.000 1.173 387 D HN 0.297 nan 8.370 nan 0.000 0.467 388 P HA 0.023 nan 4.420 nan 0.000 0.255 388 P C 1.097 178.103 177.300 -0.490 0.000 1.248 388 P CA 0.112 62.611 63.100 -1.001 0.000 0.807 388 P CB 0.341 31.198 31.700 -1.405 0.000 1.150 389 T N 0.026 114.397 114.554 -0.306 0.000 2.607 389 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 389 T C 1.785 176.424 174.700 -0.103 0.000 1.049 389 T CA 2.538 64.548 62.100 -0.150 0.000 1.162 389 T CB -1.323 67.498 68.868 -0.079 0.000 0.863 389 T HN 0.179 nan 8.240 nan 0.000 0.424 390 T N 2.345 116.843 114.554 -0.094 0.000 2.708 390 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 390 T C -0.566 174.079 174.700 -0.091 0.000 1.037 390 T CA 1.325 63.383 62.100 -0.070 0.000 1.146 390 T CB -1.169 67.676 68.868 -0.039 0.000 0.865 390 T HN 0.354 nan 8.240 nan 0.000 0.435 391 P HA 0.032 nan 4.420 nan 0.000 0.215 391 P C 1.559 178.873 177.300 0.024 0.000 1.157 391 P CA 0.835 63.914 63.100 -0.035 0.000 0.863 391 P CB -0.158 31.488 31.700 -0.091 0.000 0.787 392 L N -1.102 120.092 121.223 -0.048 0.000 2.046 392 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 392 L C 2.467 179.364 176.870 0.045 0.000 1.077 392 L CA 1.532 56.374 54.840 0.004 0.000 0.747 392 L CB -1.137 40.886 42.059 -0.060 0.000 0.896 392 L HN -0.053 nan 8.230 nan 0.000 0.432 393 A N 0.062 122.898 122.820 0.027 0.000 1.933 393 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 393 A C 2.371 180.019 177.584 0.106 0.000 1.175 393 A CA 1.520 53.598 52.037 0.069 0.000 0.628 393 A CB -0.437 18.587 19.000 0.039 0.000 0.814 393 A HN 0.321 nan 8.150 nan 0.000 0.444 394 R N -0.699 119.836 120.500 0.058 0.000 2.115 394 R HA 0.022 4.362 4.340 -0.000 0.000 0.226 394 R C 2.442 178.893 176.300 0.253 0.000 1.100 394 R CA 0.998 57.153 56.100 0.092 0.000 0.980 394 R CB -0.370 29.928 30.300 -0.004 0.000 0.875 394 R HN 0.510 nan 8.270 nan 0.000 0.445 395 A N 1.214 124.198 122.820 0.273 0.000 1.902 395 A HA -0.111 4.208 4.320 -0.000 0.000 0.217 395 A C 2.344 180.134 177.584 0.342 0.000 1.181 395 A CA 1.625 53.928 52.037 0.443 0.000 0.623 395 A CB -0.636 18.638 19.000 0.456 0.000 0.818 395 A HN 0.383 nan 8.150 nan 0.000 0.443 396 A N -1.051 121.890 122.820 0.202 0.000 1.865 396 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 396 A C 2.136 179.873 177.584 0.256 0.000 1.191 396 A CA 1.551 53.688 52.037 0.166 0.000 0.623 396 A CB -1.030 18.070 19.000 0.167 0.000 0.826 396 A HN 0.856 nan 8.150 nan 0.000 0.444 397 W N 0.937 122.300 121.300 0.106 0.000 2.363 397 W HA -0.155 4.505 4.660 -0.000 0.000 0.296 397 W C 1.607 178.203 176.519 0.130 0.000 1.212 397 W CA 1.961 59.364 57.345 0.096 0.000 1.260 397 W CB -0.285 29.208 29.460 0.056 0.000 1.131 397 W HN 0.550 nan 8.180 nan 0.000 0.530 398 E N -0.751 119.739 120.200 0.484 0.000 2.347 398 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 398 E C 2.052 178.859 176.600 0.345 0.000 1.008 398 E CA 1.611 58.272 56.400 0.435 0.000 0.852 398 E CB -0.030 29.980 29.700 0.517 0.000 0.783 398 E HN 0.078 nan 8.360 nan 0.000 0.505 399 T N 0.039 114.765 114.554 0.286 0.000 2.852 399 T HA -0.012 4.338 4.350 -0.000 0.000 0.256 399 T C 1.888 176.641 174.700 0.088 0.000 1.038 399 T CA 1.008 63.230 62.100 0.204 0.000 1.141 399 T CB -0.020 68.953 68.868 0.176 0.000 0.869 399 T HN 0.202 nan 8.240 nan 0.000 0.439 400 A N 0.597 123.421 122.820 0.007 0.000 2.119 400 A HA 0.172 4.492 4.320 -0.000 0.000 0.216 400 A C 1.186 178.690 177.584 -0.133 0.000 1.152 400 A CA 0.612 52.594 52.037 -0.092 0.000 0.708 400 A CB 0.146 19.036 19.000 -0.182 0.000 0.805 400 A HN 0.114 nan 8.150 nan 0.000 0.460 401 R N -0.108 120.326 120.500 -0.109 0.000 2.531 401 R HA 0.128 4.468 4.340 -0.000 0.000 0.293 401 R C -1.416 174.947 176.300 0.105 0.000 1.124 401 R CA -0.456 55.598 56.100 -0.076 0.000 0.945 401 R CB 0.421 30.543 30.300 -0.297 0.000 1.195 401 R HN 0.631 nan 8.270 nan 0.000 0.433 402 H N 2.480 121.579 119.070 0.049 0.000 3.226 402 H HA -0.001 4.555 4.556 -0.000 0.000 0.260 402 H C -0.511 174.880 175.328 0.105 0.000 0.967 402 H CA 1.023 57.129 56.048 0.096 0.000 1.435 402 H CB 0.638 30.443 29.762 0.072 0.000 1.533 402 H HN 0.351 nan 8.280 nan 0.000 0.525 403 T N 5.602 120.101 114.554 -0.091 0.000 2.927 403 T HA 0.211 4.561 4.350 -0.000 0.000 0.281 403 T C -1.221 173.294 174.700 -0.308 0.000 0.998 403 T CA -1.892 60.151 62.100 -0.095 0.000 1.019 403 T CB 1.392 70.328 68.868 0.113 0.000 1.061 403 T HN 0.557 nan 8.240 nan 0.000 0.518 404 P HA 0.058 nan 4.420 nan 0.000 0.214 404 P C 0.639 177.893 177.300 -0.076 0.000 1.162 404 P CA 0.628 63.625 63.100 -0.172 0.000 0.874 404 P CB 0.139 31.770 31.700 -0.115 0.000 0.784 405 I N 1.651 122.194 120.570 -0.046 0.000 2.321 405 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 405 I C -0.695 175.400 176.117 -0.037 0.000 0.998 405 I CA -0.748 60.530 61.300 -0.037 0.000 1.227 405 I CB 0.684 38.663 38.000 -0.035 0.000 1.368 405 I HN -0.134 nan 8.210 nan 0.000 0.466 406 N N 6.419 125.064 118.700 -0.092 0.000 2.602 406 N HA 0.027 4.767 4.740 -0.000 0.000 0.238 406 N C 1.343 176.649 175.510 -0.340 0.000 1.084 406 N CA -0.002 52.950 53.050 -0.163 0.000 0.952 406 N CB 1.159 39.480 38.487 -0.276 0.000 1.244 406 N HN 0.665 nan 8.380 nan 0.000 0.512 407 S N 2.006 117.635 115.700 -0.120 0.000 2.383 407 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 407 S C 1.876 176.420 174.600 -0.093 0.000 1.030 407 S CA 0.437 58.585 58.200 -0.086 0.000 1.002 407 S CB -0.490 62.713 63.200 0.005 0.000 0.829 407 S HN 0.788 nan 8.310 nan 0.000 0.467 408 W N 1.502 122.730 121.300 -0.119 0.000 2.325 408 W HA -0.108 4.552 4.660 0.000 0.000 0.299 408 W C 1.741 178.154 176.519 -0.176 0.000 1.215 408 W CA 0.654 57.882 57.345 -0.196 0.000 1.244 408 W CB -1.212 27.845 29.460 -0.672 0.000 1.140 408 W HN 0.353 nan 8.180 nan 0.000 0.523 409 L N 2.986 123.487 121.223 -1.203 0.000 2.017 409 L HA 0.084 4.424 4.340 -0.000 0.000 0.208 409 L C 2.679 179.321 176.870 -0.380 0.000 1.073 409 L CA 2.777 56.990 54.840 -1.045 0.000 0.745 409 L CB -1.540 39.728 42.059 -1.318 0.000 0.894 409 L HN 0.076 nan 8.230 nan 0.000 0.432 410 G N -0.605 108.008 108.800 -0.311 0.000 2.440 410 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.218 410 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.218 410 G C 1.492 176.386 174.900 -0.011 0.000 1.154 410 G CA 0.810 45.822 45.100 -0.148 0.000 0.767 410 G HN 0.456 nan 8.290 nan 0.000 0.552 411 N N 0.492 119.243 118.700 0.086 0.000 2.223 411 N HA -0.018 4.722 4.740 -0.000 0.000 0.185 411 N C 2.228 177.867 175.510 0.214 0.000 1.016 411 N CA 0.603 53.824 53.050 0.285 0.000 0.863 411 N CB -0.162 38.557 38.487 0.386 0.000 0.983 411 N HN 0.360 nan 8.380 nan 0.000 0.429 412 I N 0.744 121.394 120.570 0.134 0.000 2.179 412 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 412 I C 2.007 178.169 176.117 0.074 0.000 1.088 412 I CA 0.806 62.170 61.300 0.106 0.000 1.357 412 I CB -0.117 37.990 38.000 0.179 0.000 1.051 412 I HN 0.036 nan 8.210 nan 0.000 0.409 413 I N -0.066 120.543 120.570 0.066 0.000 2.076 413 I HA -0.337 3.833 4.170 -0.000 0.000 0.237 413 I C 2.564 178.758 176.117 0.128 0.000 1.059 413 I CA 1.417 62.778 61.300 0.101 0.000 1.317 413 I CB -0.298 37.745 38.000 0.071 0.000 1.037 413 I HN 0.199 nan 8.210 nan 0.000 0.398 414 M N -0.672 118.932 119.600 0.006 0.000 2.159 414 M HA -0.182 4.298 4.480 -0.000 0.000 0.263 414 M C 1.825 177.936 176.300 -0.314 0.000 1.063 414 M CA 1.926 57.124 55.300 -0.169 0.000 1.110 414 M CB -1.014 31.358 32.600 -0.380 0.000 1.374 414 M HN 0.263 nan 8.290 nan 0.000 0.411 415 Y N -0.535 119.745 120.300 -0.033 0.000 2.524 415 Y HA 0.367 4.917 4.550 0.000 0.000 0.266 415 Y C 2.062 177.696 175.900 -0.444 0.000 1.180 415 Y CA -0.010 57.944 58.100 -0.245 0.000 1.244 415 Y CB -0.565 37.678 38.460 -0.361 0.000 1.125 415 Y HN 0.222 nan 8.280 nan 0.000 0.524 416 A N 1.424 124.088 122.820 -0.260 0.000 1.969 416 A HA -0.271 4.049 4.320 -0.000 0.000 0.223 416 A C -0.374 176.921 177.584 -0.483 0.000 1.218 416 A CA 2.258 54.094 52.037 -0.334 0.000 0.667 416 A CB -1.678 17.176 19.000 -0.244 0.000 0.826 416 A HN 0.307 nan 8.150 nan 0.000 0.472 417 P HA -0.017 nan 4.420 nan 0.000 0.221 417 P C 0.830 177.922 177.300 -0.347 0.000 1.150 417 P CA 1.446 64.256 63.100 -0.484 0.000 0.800 417 P CB -0.510 30.936 31.700 -0.423 0.000 0.787 418 T N -2.411 111.951 114.554 -0.319 0.000 2.900 418 T HA 0.071 4.421 4.350 -0.000 0.000 0.307 418 T C 1.162 175.480 174.700 -0.636 0.000 1.065 418 T CA -0.617 61.243 62.100 -0.399 0.000 1.105 418 T CB 0.454 68.801 68.868 -0.868 0.000 0.979 418 T HN -0.177 nan 8.240 nan 0.000 0.544 419 L N 2.399 123.189 121.223 -0.723 0.000 1.971 419 L HA -0.043 4.297 4.340 -0.000 0.000 0.215 419 L C 2.487 179.052 176.870 -0.508 0.000 1.072 419 L CA 1.961 56.312 54.840 -0.815 0.000 0.758 419 L CB -1.030 40.478 42.059 -0.918 0.000 0.889 419 L HN 0.945 nan 8.230 nan 0.000 0.433 420 W N -0.711 120.379 121.300 -0.351 0.000 2.402 420 W HA 0.010 4.670 4.660 -0.000 0.000 0.286 420 W C 1.999 178.368 176.519 -0.249 0.000 1.221 420 W CA 0.848 58.017 57.345 -0.294 0.000 1.257 420 W CB -1.437 27.886 29.460 -0.228 0.000 1.120 420 W HN 0.364 nan 8.180 nan 0.000 0.551 421 A N 1.902 124.281 122.820 -0.735 0.000 1.898 421 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 421 A C 2.264 179.679 177.584 -0.282 0.000 1.181 421 A CA 1.751 53.471 52.037 -0.529 0.000 0.620 421 A CB -0.726 17.809 19.000 -0.775 0.000 0.819 421 A HN 0.294 nan 8.150 nan 0.000 0.442 422 R N -1.035 119.216 120.500 -0.416 0.000 2.062 422 R HA 0.083 4.423 4.340 -0.000 0.000 0.229 422 R C 2.265 178.294 176.300 -0.452 0.000 1.128 422 R CA 1.620 57.469 56.100 -0.417 0.000 0.960 422 R CB -0.348 29.562 30.300 -0.649 0.000 0.855 422 R HN 0.491 nan 8.270 nan 0.000 0.432 423 M N -0.231 118.957 119.600 -0.687 0.000 2.254 423 M HA -0.037 4.443 4.480 -0.000 0.000 0.265 423 M C 1.813 177.963 176.300 -0.250 0.000 1.066 423 M CA 1.529 56.486 55.300 -0.572 0.000 1.123 423 M CB 0.082 32.350 32.600 -0.552 0.000 1.388 423 M HN 0.124 nan 8.290 nan 0.000 0.425 424 I N -1.310 118.986 120.570 -0.457 0.000 2.962 424 I HA -0.095 4.075 4.170 -0.000 0.000 0.246 424 I C 1.918 177.813 176.117 -0.370 0.000 1.091 424 I CA 0.070 60.808 61.300 -0.937 0.000 1.469 424 I CB -0.260 37.185 38.000 -0.926 0.000 1.324 424 I HN 0.049 nan 8.210 nan 0.000 0.461 425 L N 0.443 121.639 121.223 -0.046 0.000 1.971 425 L HA -0.233 4.107 4.340 -0.000 0.000 0.215 425 L C 2.570 179.714 176.870 0.457 0.000 1.072 425 L CA 2.174 57.193 54.840 0.297 0.000 0.758 425 L CB -0.739 41.529 42.059 0.349 0.000 0.889 425 L HN 0.213 nan 8.230 nan 0.000 0.433 426 M N -1.679 118.151 119.600 0.383 0.000 2.080 426 M HA -0.257 4.223 4.480 -0.000 0.000 0.260 426 M C 2.103 178.888 176.300 0.807 0.000 1.068 426 M CA 2.339 57.977 55.300 0.563 0.000 1.109 426 M CB -0.592 32.199 32.600 0.318 0.000 1.342 426 M HN 0.334 nan 8.290 nan 0.000 0.405 427 T N -1.202 113.810 114.554 0.763 0.000 2.643 427 T HA -0.236 4.114 4.350 -0.000 0.000 0.264 427 T C 1.729 176.742 174.700 0.521 0.000 1.045 427 T CA 1.583 64.141 62.100 0.763 0.000 1.155 427 T CB -0.748 68.597 68.868 0.796 0.000 0.863 427 T HN 0.472 nan 8.240 nan 0.000 0.420 428 H N 0.331 119.584 119.070 0.306 0.000 2.289 428 H HA -0.107 4.449 4.556 -0.000 0.000 0.296 428 H C 2.108 177.333 175.328 -0.172 0.000 1.091 428 H CA 1.896 57.989 56.048 0.076 0.000 1.274 428 H CB -0.468 29.167 29.762 -0.212 0.000 1.364 428 H HN 0.415 nan 8.280 nan 0.000 0.490 429 F N -0.519 119.454 119.950 0.040 0.000 2.206 429 F HA -0.077 4.450 4.527 0.000 0.000 0.298 429 F C 2.585 178.283 175.800 -0.169 0.000 1.090 429 F CA 0.538 58.352 58.000 -0.310 0.000 1.323 429 F CB -0.586 37.900 39.000 -0.857 0.000 1.028 429 F HN 0.066 nan 8.300 nan 0.000 0.492 430 F N 0.238 120.345 119.950 0.261 0.000 2.365 430 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 430 F C 2.643 178.499 175.800 0.095 0.000 1.090 430 F CA 1.244 59.394 58.000 0.250 0.000 1.408 430 F CB -0.374 38.881 39.000 0.425 0.000 1.060 430 F HN -0.010 nan 8.300 nan 0.000 0.534 431 S N -0.396 115.395 115.700 0.151 0.000 2.425 431 S HA -0.069 4.401 4.470 -0.000 0.000 0.225 431 S C 1.921 176.492 174.600 -0.048 0.000 1.024 431 S CA 0.535 58.751 58.200 0.026 0.000 0.951 431 S CB -0.428 62.751 63.200 -0.035 0.000 0.796 431 S HN 0.171 nan 8.310 nan 0.000 0.498 432 I N 1.483 121.969 120.570 -0.141 0.000 2.315 432 I HA 0.016 4.185 4.170 -0.000 0.000 0.248 432 I C 2.217 178.305 176.117 -0.048 0.000 1.117 432 I CA 0.635 61.841 61.300 -0.156 0.000 1.404 432 I CB -1.412 36.426 38.000 -0.271 0.000 1.071 432 I HN 0.298 nan 8.210 nan 0.000 0.419 433 L N -0.037 121.180 121.223 -0.009 0.000 2.027 433 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 433 L C 2.434 179.342 176.870 0.065 0.000 1.074 433 L CA 1.395 56.256 54.840 0.035 0.000 0.745 433 L CB -1.349 40.716 42.059 0.011 0.000 0.898 433 L HN 0.126 nan 8.230 nan 0.000 0.433 434 L N -0.280 121.000 121.223 0.095 0.000 1.971 434 L HA -0.232 4.108 4.340 -0.000 0.000 0.215 434 L C 2.646 179.540 176.870 0.041 0.000 1.072 434 L CA 2.194 57.089 54.840 0.091 0.000 0.758 434 L CB -1.415 40.697 42.059 0.089 0.000 0.889 434 L HN 0.291 nan 8.230 nan 0.000 0.433 435 A N -1.315 121.512 122.820 0.011 0.000 1.869 435 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 435 A C 2.039 179.624 177.584 0.002 0.000 1.203 435 A CA 2.199 54.233 52.037 -0.006 0.000 0.638 435 A CB -0.681 18.301 19.000 -0.029 0.000 0.831 435 A HN 0.567 nan 8.150 nan 0.000 0.450 436 Q N -0.676 119.127 119.800 0.005 0.000 2.365 436 Q HA 0.204 4.544 4.340 -0.000 0.000 0.203 436 Q C -0.346 175.669 176.000 0.023 0.000 0.929 436 Q CA 0.448 56.256 55.803 0.009 0.000 0.948 436 Q CB 0.020 28.759 28.738 0.001 0.000 1.043 436 Q HN 0.730 nan 8.270 nan 0.000 0.505 437 E N -0.097 120.125 120.200 0.037 0.000 2.440 437 E HA -0.278 4.072 4.350 -0.000 0.000 0.246 437 E C -0.169 176.465 176.600 0.057 0.000 1.165 437 E CA 0.132 56.563 56.400 0.051 0.000 0.726 437 E CB -0.800 28.924 29.700 0.040 0.000 1.271 437 E HN 0.438 nan 8.360 nan 0.000 0.397 438 Q N -0.047 119.788 119.800 0.059 0.000 2.253 438 Q HA 0.052 4.392 4.340 -0.000 0.000 0.210 438 Q C 1.657 177.709 176.000 0.086 0.000 0.907 438 Q CA 0.018 55.859 55.803 0.064 0.000 0.948 438 Q CB 0.314 29.088 28.738 0.061 0.000 1.033 438 Q HN 0.383 nan 8.270 nan 0.000 0.471 439 L N 0.196 121.481 121.223 0.102 0.000 2.042 439 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 439 L C 1.616 178.557 176.870 0.119 0.000 1.076 439 L CA 1.826 56.746 54.840 0.134 0.000 0.749 439 L CB -0.754 41.408 42.059 0.173 0.000 0.893 439 L HN 0.231 nan 8.230 nan 0.000 0.432 440 E N -0.391 119.867 120.200 0.097 0.000 2.230 440 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 440 E C 0.993 177.641 176.600 0.079 0.000 0.987 440 E CA 0.127 56.578 56.400 0.085 0.000 0.841 440 E CB -0.013 29.730 29.700 0.071 0.000 0.783 440 E HN 0.233 nan 8.360 nan 0.000 0.481 441 K N 1.578 122.024 120.400 0.077 0.000 2.419 441 K HA 0.174 4.494 4.320 -0.000 0.000 0.282 441 K C -0.452 176.200 176.600 0.086 0.000 1.056 441 K CA -0.200 56.133 56.287 0.076 0.000 1.035 441 K CB 0.389 32.931 32.500 0.069 0.000 0.921 441 K HN 0.016 nan 8.250 nan 0.000 0.472 442 A N 5.050 127.920 122.820 0.083 0.000 2.386 442 A HA 0.402 4.722 4.320 -0.000 0.000 0.248 442 A C -0.432 177.205 177.584 0.088 0.000 1.082 442 A CA -0.435 51.650 52.037 0.081 0.000 0.789 442 A CB 0.286 19.334 19.000 0.080 0.000 1.025 442 A HN 0.773 nan 8.150 nan 0.000 0.490 443 L N 0.881 122.139 121.223 0.059 0.000 2.323 443 L HA 0.451 4.791 4.340 -0.000 0.000 0.265 443 L C -0.970 175.907 176.870 0.011 0.000 1.012 443 L CA -1.019 53.851 54.840 0.049 0.000 0.820 443 L CB 2.059 44.117 42.059 -0.003 0.000 1.334 443 L HN 0.545 nan 8.230 nan 0.000 0.427 444 D N 0.944 121.357 120.400 0.022 0.000 2.193 444 D HA 0.536 5.176 4.640 -0.000 0.000 0.244 444 D C -0.680 175.578 176.300 -0.069 0.000 1.064 444 D CA -0.080 53.927 54.000 0.011 0.000 0.845 444 D CB 1.747 42.592 40.800 0.074 0.000 1.148 444 D HN 0.628 nan 8.370 nan 0.000 0.464 445 C N 1.189 120.436 119.300 -0.087 0.000 3.236 445 C HA 0.820 5.280 4.460 -0.000 0.000 0.312 445 C C -1.140 173.811 174.990 -0.066 0.000 1.374 445 C CA -0.867 58.069 59.018 -0.137 0.000 1.455 445 C CB 1.570 29.163 27.740 -0.245 0.000 1.834 445 C HN 0.676 nan 8.230 nan 0.000 0.460 446 Q N 1.242 121.007 119.800 -0.060 0.000 2.387 446 Q HA 0.854 5.194 4.340 -0.000 0.000 0.273 446 Q C -1.554 174.422 176.000 -0.041 0.000 1.089 446 Q CA -0.778 55.032 55.803 0.011 0.000 0.824 446 Q CB 2.250 31.000 28.738 0.020 0.000 1.367 446 Q HN 0.811 nan 8.270 nan 0.000 0.443 447 I N 1.991 122.558 120.570 -0.004 0.000 2.468 447 I HA 0.247 4.417 4.170 -0.000 0.000 0.285 447 I C -0.810 175.365 176.117 0.097 0.000 1.039 447 I CA -0.816 60.375 61.300 -0.182 0.000 1.074 447 I CB 1.094 38.659 38.000 -0.726 0.000 1.228 447 I HN 0.822 nan 8.210 nan 0.000 0.436 448 Y N 5.042 125.396 120.300 0.090 0.000 3.825 448 Y HA -0.327 4.223 4.550 -0.000 0.000 0.221 448 Y C 1.568 177.471 175.900 0.004 0.000 1.195 448 Y CA 0.345 58.506 58.100 0.101 0.000 1.699 448 Y CB -1.150 37.390 38.460 0.133 0.000 1.531 448 Y HN 1.029 nan 8.280 nan 0.000 0.640 449 G N -1.374 107.542 108.800 0.194 0.000 2.241 449 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.244 449 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.244 449 G C 0.101 175.062 174.900 0.102 0.000 0.998 449 G CA -0.121 45.049 45.100 0.117 0.000 0.621 449 G HN 1.359 nan 8.290 nan 0.000 0.519 450 A N -0.180 122.723 122.820 0.138 0.000 2.301 450 A HA 0.627 4.947 4.320 -0.000 0.000 0.298 450 A C 0.748 178.213 177.584 -0.197 0.000 1.185 450 A CA 0.409 52.394 52.037 -0.087 0.000 0.830 450 A CB 0.773 19.659 19.000 -0.189 0.000 1.112 450 A HN 1.654 nan 8.150 nan 0.000 0.508 451 C N 3.646 122.781 119.300 -0.275 0.000 2.576 451 C HA 0.619 5.079 4.460 -0.000 0.000 0.401 451 C C -0.774 173.924 174.990 -0.487 0.000 1.314 451 C CA -0.236 58.665 59.018 -0.196 0.000 1.855 451 C CB -1.751 25.975 27.740 -0.022 0.000 2.537 451 C HN 0.625 nan 8.230 nan 0.000 0.578 452 Y N 3.372 123.493 120.300 -0.299 0.000 2.446 452 Y HA 0.450 5.000 4.550 -0.000 0.000 0.345 452 Y C 0.496 176.250 175.900 -0.245 0.000 0.984 452 Y CA -0.350 57.522 58.100 -0.380 0.000 1.058 452 Y CB 1.739 39.905 38.460 -0.491 0.000 1.220 452 Y HN 0.635 nan 8.280 nan 0.000 0.455 453 S N 3.928 119.576 115.700 -0.087 0.000 2.438 453 S HA 0.749 5.219 4.470 -0.000 0.000 0.293 453 S C -0.896 173.736 174.600 0.054 0.000 1.141 453 S CA -0.281 57.927 58.200 0.014 0.000 1.080 453 S CB -0.395 62.837 63.200 0.053 0.000 0.978 453 S HN 0.535 nan 8.310 nan 0.000 0.479 454 I N 3.583 124.180 120.570 0.046 0.000 2.686 454 I HA 0.361 4.531 4.170 -0.000 0.000 0.295 454 I C -0.504 175.645 176.117 0.054 0.000 1.114 454 I CA -0.687 60.652 61.300 0.064 0.000 1.038 454 I CB 2.451 40.484 38.000 0.054 0.000 1.238 454 I HN 0.527 nan 8.210 nan 0.000 0.420 455 E N 6.913 127.160 120.200 0.077 0.000 2.130 455 E HA 0.191 4.541 4.350 -0.000 0.000 0.284 455 E C -1.643 175.017 176.600 0.101 0.000 1.018 455 E CA -1.644 54.806 56.400 0.084 0.000 0.817 455 E CB 1.113 30.866 29.700 0.088 0.000 1.078 455 E HN 0.335 nan 8.360 nan 0.000 0.396 456 P HA -0.244 nan 4.420 nan 0.000 0.216 456 P C 1.176 178.635 177.300 0.264 0.000 1.154 456 P CA 1.291 64.470 63.100 0.131 0.000 0.865 456 P CB 0.201 31.926 31.700 0.043 0.000 0.789 457 L N -0.369 121.002 121.223 0.246 0.000 2.351 457 L HA -0.145 4.195 4.340 -0.000 0.000 0.220 457 L C 1.674 178.658 176.870 0.190 0.000 1.127 457 L CA 1.270 56.267 54.840 0.261 0.000 0.786 457 L CB -0.831 41.340 42.059 0.187 0.000 0.914 457 L HN -0.043 nan 8.230 nan 0.000 0.443 458 D N -0.825 119.668 120.400 0.155 0.000 2.339 458 D HA 0.003 4.643 4.640 -0.000 0.000 0.217 458 D C 2.084 178.451 176.300 0.113 0.000 1.050 458 D CA 0.068 54.129 54.000 0.101 0.000 0.856 458 D CB 0.449 41.292 40.800 0.072 0.000 0.922 458 D HN 0.137 nan 8.370 nan 0.000 0.518 459 L N 1.126 122.463 121.223 0.189 0.000 2.081 459 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 459 L C -0.521 176.463 176.870 0.191 0.000 1.080 459 L CA 1.858 56.824 54.840 0.209 0.000 0.754 459 L CB -2.094 40.158 42.059 0.322 0.000 0.893 459 L HN 0.046 nan 8.230 nan 0.000 0.433 460 P HA -0.167 nan 4.420 nan 0.000 0.214 460 P C 1.696 179.013 177.300 0.028 0.000 1.163 460 P CA 1.125 64.264 63.100 0.066 0.000 0.883 460 P CB 0.109 31.703 31.700 -0.175 0.000 0.788 461 Q N -0.528 119.245 119.800 -0.046 0.000 1.985 461 Q HA -0.168 4.172 4.340 -0.000 0.000 0.207 461 Q C 2.194 178.166 176.000 -0.047 0.000 0.996 461 Q CA 1.672 57.433 55.803 -0.069 0.000 0.851 461 Q CB -1.240 27.454 28.738 -0.072 0.000 0.921 461 Q HN 0.209 nan 8.270 nan 0.000 0.418 462 I N 0.095 120.642 120.570 -0.040 0.000 2.091 462 I HA -0.336 3.834 4.170 -0.000 0.000 0.239 462 I C 2.162 178.261 176.117 -0.029 0.000 1.061 462 I CA 1.389 62.638 61.300 -0.085 0.000 1.317 462 I CB -0.472 37.518 38.000 -0.016 0.000 1.031 462 I HN 0.218 nan 8.210 nan 0.000 0.401 463 I N 0.468 121.089 120.570 0.085 0.000 2.151 463 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 463 I C 2.677 178.837 176.117 0.072 0.000 1.080 463 I CA 1.857 63.232 61.300 0.125 0.000 1.339 463 I CB -0.489 37.618 38.000 0.178 0.000 1.039 463 I HN 0.358 nan 8.210 nan 0.000 0.409 464 E N 0.995 121.276 120.200 0.134 0.000 2.077 464 E HA -0.295 4.055 4.350 -0.000 0.000 0.193 464 E C 2.295 178.893 176.600 -0.002 0.000 0.989 464 E CA 1.192 57.661 56.400 0.115 0.000 0.800 464 E CB 0.027 29.787 29.700 0.100 0.000 0.746 464 E HN 0.160 nan 8.360 nan 0.000 0.452 465 R N 0.435 120.898 120.500 -0.062 0.000 2.075 465 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 465 R C 2.227 178.438 176.300 -0.149 0.000 1.126 465 R CA 1.376 57.409 56.100 -0.112 0.000 0.963 465 R CB -0.355 29.844 30.300 -0.168 0.000 0.858 465 R HN 0.282 nan 8.270 nan 0.000 0.435 466 L N -1.374 119.722 121.223 -0.212 0.000 2.127 466 L HA -0.043 4.297 4.340 -0.000 0.000 0.203 466 L C 1.946 178.532 176.870 -0.475 0.000 1.080 466 L CA 0.998 55.608 54.840 -0.382 0.000 0.768 466 L CB -0.446 41.300 42.059 -0.521 0.000 0.924 466 L HN 0.328 nan 8.230 nan 0.000 0.444 467 H N -0.804 118.194 119.070 -0.121 0.000 2.729 467 H HA 0.310 4.865 4.556 -0.000 0.000 0.263 467 H C 1.146 176.411 175.328 -0.105 0.000 0.961 467 H CA 0.851 56.821 56.048 -0.130 0.000 1.217 467 H CB 1.052 30.705 29.762 -0.182 0.000 1.447 467 H HN 0.348 nan 8.280 nan 0.000 0.496 468 G N 0.784 109.594 108.800 0.017 0.000 2.500 468 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.209 468 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.209 468 G C -0.031 174.899 174.900 0.050 0.000 1.283 468 G CA -0.186 44.929 45.100 0.024 0.000 0.960 468 G HN 0.096 nan 8.290 nan 0.000 0.528 469 L N 1.514 122.789 121.223 0.087 0.000 2.354 469 L HA 0.196 4.536 4.340 -0.000 0.000 0.212 469 L C 3.231 180.156 176.870 0.091 0.000 1.091 469 L CA 2.461 57.418 54.840 0.196 0.000 0.828 469 L CB -0.793 41.404 42.059 0.229 0.000 0.973 469 L HN 1.147 nan 8.230 nan 0.000 0.461 470 S N -0.224 115.475 115.700 -0.002 0.000 2.441 470 S HA -0.251 4.218 4.470 -0.000 0.000 0.242 470 S C 2.026 176.524 174.600 -0.170 0.000 1.018 470 S CA 1.036 59.189 58.200 -0.078 0.000 0.988 470 S CB -0.675 62.462 63.200 -0.106 0.000 0.778 470 S HN 0.335 nan 8.310 nan 0.000 0.498 471 A N 0.178 122.840 122.820 -0.265 0.000 2.172 471 A HA 0.257 4.577 4.320 -0.000 0.000 0.216 471 A C 1.435 178.678 177.584 -0.569 0.000 1.154 471 A CA 0.717 52.455 52.037 -0.499 0.000 0.701 471 A CB -0.732 17.871 19.000 -0.662 0.000 0.789 471 A HN 0.669 nan 8.150 nan 0.000 0.465 472 F N -1.116 118.837 119.950 0.006 0.000 2.661 472 F HA 0.135 4.662 4.527 -0.000 0.000 0.306 472 F C 1.657 177.499 175.800 0.069 0.000 1.094 472 F CA 0.599 58.639 58.000 0.067 0.000 1.254 472 F CB 0.843 39.918 39.000 0.125 0.000 1.040 472 F HN 0.239 nan 8.300 nan 0.000 0.562 473 T N -2.757 111.865 114.554 0.114 0.000 3.192 473 T HA 0.324 4.674 4.350 -0.000 0.000 0.295 473 T C 0.121 174.756 174.700 -0.108 0.000 0.947 473 T CA -0.100 62.044 62.100 0.074 0.000 0.916 473 T CB -0.587 68.321 68.868 0.067 0.000 1.169 473 T HN -0.062 nan 8.240 nan 0.000 0.540 474 L N 3.086 124.176 121.223 -0.222 0.000 2.416 474 L HA 0.433 4.773 4.340 -0.000 0.000 0.272 474 L C 1.349 177.981 176.870 -0.397 0.000 1.161 474 L CA -0.179 54.357 54.840 -0.506 0.000 0.845 474 L CB 0.321 41.978 42.059 -0.670 0.000 1.119 474 L HN 0.525 nan 8.230 nan 0.000 0.464 475 H N -2.264 116.604 119.070 -0.336 0.000 3.899 475 H HA 0.203 4.759 4.556 -0.000 0.000 0.260 475 H C 0.104 175.379 175.328 -0.090 0.000 1.122 475 H CA -0.392 55.574 56.048 -0.136 0.000 1.165 475 H CB 0.232 29.994 29.762 0.001 0.000 1.503 475 H HN 0.346 nan 8.280 nan 0.000 0.671 476 S N 1.758 117.522 115.700 0.106 0.000 2.222 476 S HA 0.281 4.751 4.470 -0.000 0.000 0.173 476 S C -0.899 173.768 174.600 0.111 0.000 1.466 476 S CA -0.725 57.579 58.200 0.173 0.000 1.184 476 S CB -0.589 62.705 63.200 0.157 0.000 1.168 476 S HN 0.232 nan 8.310 nan 0.000 0.475 477 Y N 2.362 122.733 120.300 0.119 0.000 2.459 477 Y HA 0.114 4.664 4.550 -0.000 0.000 0.349 477 Y C 1.533 177.511 175.900 0.129 0.000 1.266 477 Y CA -0.061 58.105 58.100 0.111 0.000 1.483 477 Y CB 0.262 38.779 38.460 0.096 0.000 1.362 477 Y HN 0.472 nan 8.280 nan 0.000 0.628 478 S N 1.126 117.012 115.700 0.310 0.000 2.579 478 S HA 0.101 4.571 4.470 -0.000 0.000 0.275 478 S C -2.011 172.690 174.600 0.168 0.000 1.345 478 S CA -1.025 57.294 58.200 0.198 0.000 1.031 478 S CB 1.190 64.484 63.200 0.157 0.000 0.892 478 S HN 0.433 nan 8.310 nan 0.000 0.529 479 P HA 0.023 nan 4.420 nan 0.000 0.214 479 P C 1.846 179.194 177.300 0.080 0.000 1.163 479 P CA 1.656 64.811 63.100 0.093 0.000 0.883 479 P CB -0.536 31.208 31.700 0.073 0.000 0.788 480 G N 0.125 108.968 108.800 0.071 0.000 2.529 480 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.219 480 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.219 480 G C 1.671 176.604 174.900 0.054 0.000 1.177 480 G CA 1.447 46.578 45.100 0.052 0.000 0.773 480 G HN 0.290 nan 8.290 nan 0.000 0.573 481 E N 0.515 120.767 120.200 0.086 0.000 2.077 481 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 481 E C 2.432 179.077 176.600 0.075 0.000 0.989 481 E CA 0.930 57.388 56.400 0.098 0.000 0.800 481 E CB -0.384 29.428 29.700 0.187 0.000 0.746 481 E HN 0.538 nan 8.360 nan 0.000 0.452 482 I N 0.421 121.043 120.570 0.087 0.000 2.315 482 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 482 I C 2.014 178.155 176.117 0.040 0.000 1.117 482 I CA 1.181 62.516 61.300 0.059 0.000 1.404 482 I CB -0.363 37.690 38.000 0.087 0.000 1.071 482 I HN 0.199 nan 8.210 nan 0.000 0.419 483 N N 0.245 118.970 118.700 0.042 0.000 2.166 483 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 483 N C 2.044 177.559 175.510 0.009 0.000 1.019 483 N CA 0.639 53.706 53.050 0.028 0.000 0.856 483 N CB -0.021 38.483 38.487 0.029 0.000 0.993 483 N HN 0.232 nan 8.380 nan 0.000 0.426 484 R N 0.988 121.487 120.500 -0.001 0.000 2.066 484 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 484 R C 2.036 178.302 176.300 -0.057 0.000 1.131 484 R CA 1.068 57.148 56.100 -0.033 0.000 0.955 484 R CB -0.434 29.837 30.300 -0.048 0.000 0.851 484 R HN 0.089 nan 8.270 nan 0.000 0.432 485 V N 1.014 120.896 119.914 -0.052 0.000 2.332 485 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 485 V C 2.508 178.584 176.094 -0.031 0.000 1.055 485 V CA 1.993 64.251 62.300 -0.070 0.000 1.038 485 V CB -0.762 31.047 31.823 -0.023 0.000 0.651 485 V HN 0.460 nan 8.190 nan 0.000 0.450 486 A N -0.554 122.267 122.820 0.002 0.000 1.898 486 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 486 A C 2.575 180.170 177.584 0.019 0.000 1.181 486 A CA 2.116 54.169 52.037 0.026 0.000 0.620 486 A CB -0.846 18.177 19.000 0.038 0.000 0.819 486 A HN 0.513 nan 8.150 nan 0.000 0.442 487 S N -0.885 114.819 115.700 0.007 0.000 2.370 487 S HA -0.236 4.234 4.470 -0.000 0.000 0.226 487 S C 2.111 176.712 174.600 0.001 0.000 1.033 487 S CA 1.850 60.054 58.200 0.006 0.000 1.011 487 S CB -1.049 62.149 63.200 -0.003 0.000 0.852 487 S HN 0.842 nan 8.310 nan 0.000 0.457 488 C N 1.220 120.505 119.300 -0.024 0.000 2.440 488 C HA 0.163 4.623 4.460 -0.000 0.000 0.278 488 C C 2.517 177.502 174.990 -0.009 0.000 1.295 488 C CA 0.573 59.569 59.018 -0.037 0.000 1.738 488 C CB -1.733 25.946 27.740 -0.101 0.000 1.987 488 C HN 0.682 nan 8.230 nan 0.000 0.492 489 L N 0.341 121.566 121.223 0.003 0.000 2.046 489 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 489 L C 3.071 179.971 176.870 0.049 0.000 1.077 489 L CA 1.682 56.544 54.840 0.036 0.000 0.747 489 L CB -0.844 41.258 42.059 0.071 0.000 0.896 489 L HN 0.378 nan 8.230 nan 0.000 0.432 490 R N 0.183 120.714 120.500 0.053 0.000 2.073 490 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 490 R C 2.401 178.771 176.300 0.117 0.000 1.134 490 R CA 1.293 57.438 56.100 0.075 0.000 0.952 490 R CB -0.252 30.084 30.300 0.061 0.000 0.850 490 R HN 0.231 nan 8.270 nan 0.000 0.433 491 K N 0.972 121.423 120.400 0.085 0.000 2.074 491 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 491 K C 1.620 178.323 176.600 0.172 0.000 1.048 491 K CA 1.451 57.796 56.287 0.096 0.000 0.926 491 K CB -0.008 32.521 32.500 0.048 0.000 0.713 491 K HN 0.167 nan 8.250 nan 0.000 0.444 492 L N -0.578 120.724 121.223 0.132 0.000 2.607 492 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 492 L C 0.881 177.754 176.870 0.004 0.000 1.123 492 L CA 0.323 55.238 54.840 0.124 0.000 0.890 492 L CB 0.543 42.636 42.059 0.056 0.000 1.103 492 L HN 0.419 nan 8.230 nan 0.000 0.468 493 G N 0.892 109.649 108.800 -0.072 0.000 2.225 493 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 493 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 493 G C -0.075 174.703 174.900 -0.204 0.000 1.060 493 G CA 0.019 44.832 45.100 -0.479 0.000 0.833 493 G HN 0.098 nan 8.290 nan 0.000 0.498 494 V N 2.286 122.181 119.914 -0.031 0.000 2.407 494 V HA 0.437 4.557 4.120 -0.000 0.000 0.278 494 V C -1.213 174.970 176.094 0.149 0.000 1.037 494 V CA -1.624 60.730 62.300 0.089 0.000 0.900 494 V CB 1.643 33.546 31.823 0.134 0.000 0.983 494 V HN 0.288 nan 8.190 nan 0.000 0.459 495 P HA 0.038 nan 4.420 nan 0.000 0.260 495 P C -2.605 174.834 177.300 0.232 0.000 1.172 495 P CA -0.722 62.430 63.100 0.087 0.000 0.760 495 P CB -0.312 31.314 31.700 -0.123 0.000 0.773 496 P HA -0.047 nan 4.420 nan 0.000 0.268 496 P C 1.520 179.004 177.300 0.307 0.000 1.189 496 P CA 0.231 63.441 63.100 0.184 0.000 0.771 496 P CB 0.272 32.035 31.700 0.104 0.000 0.822 497 L N 2.024 123.429 121.223 0.303 0.000 2.010 497 L HA -0.311 4.028 4.340 -0.000 0.000 0.219 497 L C 2.583 179.689 176.870 0.392 0.000 1.077 497 L CA 2.058 57.119 54.840 0.369 0.000 0.773 497 L CB -0.684 41.493 42.059 0.197 0.000 0.892 497 L HN 0.488 nan 8.230 nan 0.000 0.436 498 R N -0.971 119.680 120.500 0.251 0.000 2.159 498 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 498 R C 1.868 178.277 176.300 0.183 0.000 1.131 498 R CA 1.731 57.961 56.100 0.217 0.000 0.982 498 R CB -1.366 29.016 30.300 0.137 0.000 0.868 498 R HN 0.294 nan 8.270 nan 0.000 0.453 499 T N 0.363 114.974 114.554 0.096 0.000 2.881 499 T HA -0.124 4.226 4.350 -0.000 0.000 0.270 499 T C 1.035 175.671 174.700 -0.106 0.000 1.068 499 T CA 1.454 63.513 62.100 -0.069 0.000 1.131 499 T CB -0.196 68.523 68.868 -0.247 0.000 0.871 499 T HN 0.482 nan 8.240 nan 0.000 0.479 500 W N 1.396 122.816 121.300 0.201 0.000 2.576 500 W HA 0.175 4.835 4.660 0.000 0.000 0.270 500 W C 2.511 179.233 176.519 0.339 0.000 1.255 500 W CA -0.404 57.097 57.345 0.260 0.000 1.314 500 W CB -0.106 29.521 29.460 0.277 0.000 1.101 500 W HN -0.001 nan 8.180 nan 0.000 0.595 501 R N -0.199 120.614 120.500 0.522 0.000 2.091 501 R HA -0.215 4.125 4.340 -0.000 0.000 0.238 501 R C 1.789 178.213 176.300 0.207 0.000 1.136 501 R CA 1.978 58.322 56.100 0.406 0.000 0.959 501 R CB -1.226 29.266 30.300 0.320 0.000 0.856 501 R HN 0.323 nan 8.270 nan 0.000 0.437 502 H N 1.411 120.532 119.070 0.085 0.000 2.253 502 H HA -0.054 4.502 4.556 -0.000 0.000 0.296 502 H C 2.074 177.390 175.328 -0.020 0.000 1.067 502 H CA 2.028 58.076 56.048 0.001 0.000 1.245 502 H CB -0.158 29.586 29.762 -0.031 0.000 1.364 502 H HN -0.001 nan 8.280 nan 0.000 0.494 503 R N 0.095 120.485 120.500 -0.182 0.000 2.140 503 R HA -0.233 4.107 4.340 -0.000 0.000 0.250 503 R C 2.485 178.684 176.300 -0.168 0.000 1.150 503 R CA 1.370 57.337 56.100 -0.221 0.000 0.966 503 R CB -0.777 29.488 30.300 -0.058 0.000 0.869 503 R HN 0.477 nan 8.270 nan 0.000 0.445 504 A N 1.304 124.084 122.820 -0.066 0.000 1.873 504 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 504 A C 2.177 179.502 177.584 -0.432 0.000 1.186 504 A CA 1.088 52.955 52.037 -0.283 0.000 0.616 504 A CB -0.428 18.477 19.000 -0.159 0.000 0.823 504 A HN 0.221 nan 8.150 nan 0.000 0.442 505 R N -0.439 119.880 120.500 -0.302 0.000 2.119 505 R HA -0.168 4.172 4.340 -0.000 0.000 0.246 505 R C 2.657 178.807 176.300 -0.251 0.000 1.146 505 R CA 1.674 57.623 56.100 -0.252 0.000 0.962 505 R CB -0.544 29.665 30.300 -0.151 0.000 0.863 505 R HN 0.600 nan 8.270 nan 0.000 0.442 506 S N 0.173 115.712 115.700 -0.268 0.000 2.349 506 S HA -0.131 4.339 4.470 -0.000 0.000 0.216 506 S C 2.094 176.553 174.600 -0.235 0.000 1.033 506 S CA 1.639 59.697 58.200 -0.236 0.000 1.021 506 S CB -0.345 62.692 63.200 -0.271 0.000 0.968 506 S HN 0.131 nan 8.310 nan 0.000 0.426 507 V N 3.463 123.207 119.914 -0.284 0.000 2.250 507 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 507 V C 2.760 178.647 176.094 -0.345 0.000 1.060 507 V CA 2.614 64.740 62.300 -0.290 0.000 1.030 507 V CB -1.053 30.557 31.823 -0.355 0.000 0.643 507 V HN 0.598 nan 8.190 nan 0.000 0.445 508 R N 0.546 120.728 120.500 -0.530 0.000 2.094 508 R HA -0.220 4.120 4.340 -0.000 0.000 0.239 508 R C 2.306 178.496 176.300 -0.184 0.000 1.137 508 R CA 2.128 58.004 56.100 -0.373 0.000 0.943 508 R CB -0.664 29.434 30.300 -0.336 0.000 0.850 508 R HN 0.442 nan 8.270 nan 0.000 0.433 509 A N 1.504 124.219 122.820 -0.175 0.000 1.873 509 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 509 A C 1.991 179.523 177.584 -0.087 0.000 1.193 509 A CA 2.062 54.031 52.037 -0.114 0.000 0.629 509 A CB -0.502 18.431 19.000 -0.111 0.000 0.826 509 A HN 0.491 nan 8.150 nan 0.000 0.447 510 K N -0.685 119.657 120.400 -0.096 0.000 2.574 510 K HA 0.139 4.459 4.320 -0.000 0.000 0.193 510 K C 1.114 177.694 176.600 -0.033 0.000 1.035 510 K CA 0.547 56.799 56.287 -0.059 0.000 0.982 510 K CB -0.159 32.304 32.500 -0.060 0.000 0.795 510 K HN 0.492 nan 8.250 nan 0.000 0.491 511 L N -0.519 120.676 121.223 -0.048 0.000 2.642 511 L HA 0.098 4.438 4.340 -0.000 0.000 0.233 511 L C 1.639 178.504 176.870 -0.009 0.000 1.077 511 L CA 0.105 54.937 54.840 -0.013 0.000 0.879 511 L CB 0.192 42.234 42.059 -0.029 0.000 1.151 511 L HN 0.109 nan 8.230 nan 0.000 0.495 512 L N -0.987 120.219 121.223 -0.029 0.000 2.162 512 L HA 0.010 4.350 4.340 -0.000 0.000 0.205 512 L C 1.396 178.257 176.870 -0.015 0.000 1.086 512 L CA 0.678 55.504 54.840 -0.023 0.000 0.778 512 L CB -0.058 41.977 42.059 -0.039 0.000 0.928 512 L HN 0.080 nan 8.230 nan 0.000 0.446 513 S N 0.018 115.707 115.700 -0.019 0.000 2.815 513 S HA 0.097 4.567 4.470 -0.000 0.000 0.254 513 S C 1.064 175.663 174.600 -0.002 0.000 1.197 513 S CA 0.027 58.220 58.200 -0.013 0.000 1.216 513 S CB 0.109 63.297 63.200 -0.020 0.000 0.871 513 S HN 0.325 nan 8.310 nan 0.000 0.473 514 Q N 0.112 119.916 119.800 0.007 0.000 2.167 514 Q HA 0.227 4.567 4.340 -0.000 0.000 0.251 514 Q C 0.969 176.985 176.000 0.026 0.000 0.768 514 Q CA 0.487 56.303 55.803 0.021 0.000 0.944 514 Q CB 1.084 29.842 28.738 0.034 0.000 1.179 514 Q HN 0.620 nan 8.270 nan 0.000 0.478 515 G N 0.704 109.517 108.800 0.022 0.000 2.801 515 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.244 515 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.244 515 G C 0.532 175.454 174.900 0.036 0.000 1.385 515 G CA 0.271 45.386 45.100 0.025 0.000 0.894 515 G HN 0.787 nan 8.290 nan 0.000 0.562 516 G N -0.814 108.007 108.800 0.034 0.000 2.574 516 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.282 516 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.282 516 G C 1.206 176.136 174.900 0.050 0.000 1.257 516 G CA 1.311 46.435 45.100 0.040 0.000 0.956 516 G HN 1.395 nan 8.290 nan 0.000 0.560 517 R N 0.181 120.716 120.500 0.058 0.000 2.096 517 R HA 0.027 4.367 4.340 -0.000 0.000 0.235 517 R C 3.214 179.570 176.300 0.094 0.000 1.127 517 R CA 1.909 58.051 56.100 0.070 0.000 0.968 517 R CB -0.631 29.716 30.300 0.079 0.000 0.861 517 R HN 0.681 nan 8.270 nan 0.000 0.440 518 A N 1.417 124.298 122.820 0.102 0.000 1.877 518 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 518 A C 2.411 180.041 177.584 0.076 0.000 1.186 518 A CA 1.761 53.871 52.037 0.122 0.000 0.620 518 A CB -0.685 18.385 19.000 0.117 0.000 0.822 518 A HN 0.387 nan 8.150 nan 0.000 0.443 519 A N -0.919 121.935 122.820 0.057 0.000 1.883 519 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 519 A C 2.315 179.927 177.584 0.046 0.000 1.186 519 A CA 2.518 54.578 52.037 0.038 0.000 0.624 519 A CB -1.504 17.515 19.000 0.030 0.000 0.822 519 A HN 0.450 nan 8.150 nan 0.000 0.444 520 T N -0.840 113.756 114.554 0.070 0.000 2.759 520 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 520 T C 1.856 176.626 174.700 0.116 0.000 1.042 520 T CA 1.523 63.699 62.100 0.127 0.000 1.140 520 T CB -0.786 68.136 68.868 0.091 0.000 0.864 520 T HN 0.570 nan 8.240 nan 0.000 0.455 521 C N 1.298 120.622 119.300 0.040 0.000 2.413 521 C HA -0.022 4.438 4.460 -0.000 0.000 0.277 521 C C 3.085 178.046 174.990 -0.047 0.000 1.265 521 C CA 0.664 59.648 59.018 -0.057 0.000 1.752 521 C CB -1.521 26.129 27.740 -0.150 0.000 1.998 521 C HN 0.753 nan 8.230 nan 0.000 0.489 522 G N 0.068 108.876 108.800 0.013 0.000 2.402 522 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 522 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 522 G C 1.758 176.696 174.900 0.063 0.000 1.162 522 G CA 0.473 45.618 45.100 0.075 0.000 0.777 522 G HN 0.611 nan 8.290 nan 0.000 0.539 523 R N -0.923 119.572 120.500 -0.007 0.000 2.062 523 R HA 0.036 4.376 4.340 -0.000 0.000 0.229 523 R C 2.347 178.499 176.300 -0.245 0.000 1.128 523 R CA 1.253 57.272 56.100 -0.134 0.000 0.960 523 R CB -0.479 29.693 30.300 -0.214 0.000 0.855 523 R HN 0.445 nan 8.270 nan 0.000 0.432 524 Y N 0.790 120.938 120.300 -0.253 0.000 2.269 524 Y HA 0.025 4.575 4.550 -0.000 0.000 0.294 524 Y C 2.128 177.742 175.900 -0.478 0.000 1.120 524 Y CA 0.778 58.556 58.100 -0.536 0.000 1.159 524 Y CB -0.081 37.872 38.460 -0.846 0.000 1.024 524 Y HN -0.082 nan 8.280 nan 0.000 0.532 525 L N -1.688 119.442 121.223 -0.155 0.000 2.376 525 L HA -0.084 4.256 4.340 -0.000 0.000 0.219 525 L C 0.352 176.958 176.870 -0.439 0.000 1.133 525 L CA 1.137 55.832 54.840 -0.243 0.000 0.816 525 L CB -0.238 41.479 42.059 -0.570 0.000 0.933 525 L HN 0.204 nan 8.230 nan 0.000 0.449 526 F N -1.990 117.993 119.950 0.054 0.000 2.814 526 F HA 0.196 4.723 4.527 -0.000 0.000 0.326 526 F C 1.430 176.953 175.800 -0.462 0.000 1.159 526 F CA -0.413 57.419 58.000 -0.281 0.000 1.234 526 F CB -0.369 38.433 39.000 -0.330 0.000 1.016 526 F HN -0.118 nan 8.300 nan 0.000 0.510 527 N N 1.129 119.808 118.700 -0.034 0.000 2.364 527 N HA -0.189 4.551 4.740 -0.000 0.000 0.183 527 N C 1.901 177.414 175.510 0.005 0.000 1.022 527 N CA 1.698 54.733 53.050 -0.026 0.000 0.883 527 N CB -0.097 38.407 38.487 0.028 0.000 0.965 527 N HN 0.527 nan 8.380 nan 0.000 0.438 528 W N -1.024 120.360 121.300 0.141 0.000 2.595 528 W HA 0.287 4.946 4.660 -0.000 0.000 0.257 528 W C 1.260 177.872 176.519 0.155 0.000 1.267 528 W CA 0.592 58.026 57.345 0.148 0.000 1.300 528 W CB -0.816 28.744 29.460 0.166 0.000 1.120 528 W HN 0.050 nan 8.180 nan 0.000 0.618 529 A N 1.566 123.921 122.820 -0.775 0.000 2.095 529 A HA 0.191 4.511 4.320 -0.000 0.000 0.212 529 A C 1.151 178.575 177.584 -0.267 0.000 1.162 529 A CA 0.854 52.490 52.037 -0.669 0.000 0.753 529 A CB -0.857 17.510 19.000 -1.055 0.000 0.840 529 A HN 0.067 nan 8.150 nan 0.000 0.468 530 V N -2.251 117.543 119.914 -0.200 0.000 2.649 530 V HA 0.356 4.476 4.120 -0.000 0.000 0.292 530 V C 1.055 177.117 176.094 -0.054 0.000 1.055 530 V CA -0.662 61.572 62.300 -0.111 0.000 1.023 530 V CB 0.803 32.567 31.823 -0.099 0.000 0.992 530 V HN 0.452 nan 8.190 nan 0.000 0.480 531 R N 1.696 122.173 120.500 -0.038 0.000 2.062 531 R HA -0.013 4.327 4.340 -0.000 0.000 0.231 531 R C 0.834 177.123 176.300 -0.018 0.000 1.136 531 R CA 1.573 57.663 56.100 -0.017 0.000 0.948 531 R CB -0.371 29.920 30.300 -0.015 0.000 0.845 531 R HN 0.797 nan 8.270 nan 0.000 0.430 532 T N 2.859 117.396 114.554 -0.028 0.000 3.176 532 T HA 0.141 4.491 4.350 -0.000 0.000 0.301 532 T C -0.319 174.361 174.700 -0.033 0.000 1.115 532 T CA 0.000 62.084 62.100 -0.027 0.000 1.027 532 T CB 0.296 69.147 68.868 -0.030 0.000 1.063 532 T HN 0.069 nan 8.240 nan 0.000 0.669 533 K N 3.161 123.547 120.400 -0.023 0.000 2.350 533 K HA 0.329 4.649 4.320 -0.000 0.000 0.279 533 K C 0.068 176.647 176.600 -0.034 0.000 1.027 533 K CA -0.541 55.732 56.287 -0.024 0.000 0.969 533 K CB 0.503 33.005 32.500 0.005 0.000 0.954 533 K HN 0.343 nan 8.250 nan 0.000 0.474 534 L N -0.166 121.023 121.223 -0.057 0.000 2.365 534 L HA 0.500 4.840 4.340 -0.000 0.000 0.267 534 L C -0.351 176.476 176.870 -0.072 0.000 1.033 534 L CA -0.750 54.048 54.840 -0.070 0.000 0.802 534 L CB 0.279 42.278 42.059 -0.100 0.000 1.267 534 L HN 0.287 nan 8.230 nan 0.000 0.457 535 K N 1.578 121.938 120.400 -0.067 0.000 2.264 535 K HA 0.500 4.820 4.320 -0.000 0.000 0.277 535 K C -1.147 175.399 176.600 -0.091 0.000 1.067 535 K CA -0.276 55.980 56.287 -0.052 0.000 0.900 535 K CB 0.673 33.158 32.500 -0.024 0.000 1.124 535 K HN 0.474 nan 8.250 nan 0.000 0.469 536 L N 3.543 124.701 121.223 -0.108 0.000 2.433 536 L HA 0.079 4.419 4.340 -0.000 0.000 0.275 536 L C 0.988 177.867 176.870 0.015 0.000 1.128 536 L CA -0.196 54.541 54.840 -0.171 0.000 0.875 536 L CB 0.107 42.059 42.059 -0.179 0.000 1.171 536 L HN 0.652 nan 8.230 nan 0.000 0.463 537 T N 1.196 115.783 114.554 0.054 0.000 2.928 537 T HA 0.476 4.826 4.350 -0.000 0.000 0.284 537 T C -2.421 172.401 174.700 0.204 0.000 1.008 537 T CA -2.207 59.960 62.100 0.112 0.000 1.057 537 T CB 1.315 70.227 68.868 0.074 0.000 1.018 537 T HN 0.218 nan 8.240 nan 0.000 0.493 538 P HA 0.128 nan 4.420 nan 0.000 0.261 538 P C -0.161 177.174 177.300 0.059 0.000 1.183 538 P CA 0.020 63.177 63.100 0.094 0.000 0.761 538 P CB 0.074 31.807 31.700 0.055 0.000 0.785 539 I N 6.834 127.383 120.570 -0.035 0.000 2.598 539 I HA -0.006 4.164 4.170 -0.000 0.000 0.284 539 I C -0.650 175.433 176.117 -0.057 0.000 1.140 539 I CA -1.327 59.905 61.300 -0.113 0.000 1.420 539 I CB 0.626 38.436 38.000 -0.316 0.000 1.387 539 I HN 0.397 nan 8.210 nan 0.000 0.553 540 P HA -0.255 nan 4.420 nan 0.000 0.199 540 P C 1.272 178.552 177.300 -0.034 0.000 1.085 540 P CA 1.579 64.667 63.100 -0.019 0.000 0.924 540 P CB 0.034 31.729 31.700 -0.007 0.000 0.736 541 A N 0.131 122.930 122.820 -0.034 0.000 2.042 541 A HA -0.192 4.128 4.320 -0.000 0.000 0.222 541 A C 2.443 179.995 177.584 -0.054 0.000 1.167 541 A CA 2.646 54.661 52.037 -0.037 0.000 0.649 541 A CB -1.637 17.345 19.000 -0.030 0.000 0.809 541 A HN 0.396 nan 8.150 nan 0.000 0.457 542 A N 0.505 123.282 122.820 -0.071 0.000 1.829 542 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 542 A C 2.071 179.607 177.584 -0.079 0.000 1.207 542 A CA 2.053 54.039 52.037 -0.085 0.000 0.622 542 A CB -1.313 17.622 19.000 -0.108 0.000 0.846 542 A HN 1.155 nan 8.150 nan 0.000 0.447 543 S N -0.899 114.762 115.700 -0.065 0.000 3.110 543 S HA 0.440 4.910 4.470 -0.000 0.000 0.253 543 S C 0.518 175.089 174.600 -0.049 0.000 1.074 543 S CA 0.930 59.097 58.200 -0.056 0.000 1.201 543 S CB -0.828 62.350 63.200 -0.037 0.000 0.889 543 S HN 1.076 nan 8.310 nan 0.000 0.490 544 Q N 0.203 119.970 119.800 -0.055 0.000 3.011 544 Q HA 0.751 5.091 4.340 -0.000 0.000 0.223 544 Q C 1.591 177.560 176.000 -0.052 0.000 1.127 544 Q CA -0.082 55.694 55.803 -0.045 0.000 0.412 544 Q CB -0.681 28.036 28.738 -0.035 0.000 5.323 544 Q HN 1.097 nan 8.270 nan 0.000 0.286 545 L N 1.904 123.101 121.223 -0.045 0.000 2.962 545 L HA 0.468 4.808 4.340 -0.000 0.000 0.263 545 L C 0.864 177.697 176.870 -0.062 0.000 1.152 545 L CA 1.584 56.398 54.840 -0.044 0.000 0.954 545 L CB -2.446 39.595 42.059 -0.029 0.000 1.213 545 L HN 0.918 nan 8.230 nan 0.000 0.422 546 D N 0.389 120.734 120.400 -0.090 0.000 2.325 546 D HA 0.564 5.204 4.640 -0.000 0.000 0.251 546 D C 0.293 176.493 176.300 -0.165 0.000 1.196 546 D CA -0.532 53.383 54.000 -0.140 0.000 0.866 546 D CB 0.384 41.077 40.800 -0.178 0.000 1.101 546 D HN 0.669 nan 8.370 nan 0.000 0.476 547 L N 1.557 122.684 121.223 -0.160 0.000 2.476 547 L HA 0.519 4.859 4.340 -0.000 0.000 0.264 547 L C 1.245 177.968 176.870 -0.245 0.000 1.224 547 L CA -0.430 54.329 54.840 -0.135 0.000 0.821 547 L CB 1.024 43.058 42.059 -0.041 0.000 1.101 547 L HN 0.520 nan 8.230 nan 0.000 0.488 548 S N -1.117 114.513 115.700 -0.116 0.000 3.255 548 S HA 0.722 5.192 4.470 -0.000 0.000 0.305 548 S C 0.433 175.107 174.600 0.123 0.000 1.067 548 S CA 0.074 58.224 58.200 -0.083 0.000 0.966 548 S CB 1.102 64.273 63.200 -0.049 0.000 1.366 548 S HN 1.092 nan 8.310 nan 0.000 0.717 549 G N -0.059 108.819 108.800 0.131 0.000 2.137 549 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.237 549 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.237 549 G C 0.322 175.351 174.900 0.215 0.000 1.002 549 G CA 0.689 45.863 45.100 0.123 0.000 0.702 549 G HN 0.488 nan 8.290 nan 0.000 0.515 550 W N -0.384 120.836 121.300 -0.133 0.000 2.481 550 W HA 0.506 5.166 4.660 -0.000 0.000 0.293 550 W C 1.254 177.382 176.519 -0.653 0.000 1.201 550 W CA 0.754 57.833 57.345 -0.443 0.000 1.328 550 W CB -0.088 28.972 29.460 -0.666 0.000 1.112 550 W HN 0.221 nan 8.180 nan 0.000 0.546 551 F N -0.311 119.833 119.950 0.322 0.000 2.530 551 F HA 0.255 4.782 4.527 -0.000 0.000 0.318 551 F C 0.683 176.621 175.800 0.230 0.000 1.356 551 F CA -0.324 57.858 58.000 0.302 0.000 1.135 551 F CB -0.071 39.078 39.000 0.249 0.000 1.315 551 F HN -0.395 nan 8.300 nan 0.000 0.549 552 V N 0.084 120.179 119.914 0.301 0.000 2.627 552 V HA 0.514 4.633 4.120 -0.000 0.000 0.239 552 V C 1.003 177.246 176.094 0.248 0.000 1.077 552 V CA 0.731 63.163 62.300 0.221 0.000 1.103 552 V CB 0.147 32.068 31.823 0.163 0.000 0.802 552 V HN 0.407 nan 8.190 nan 0.000 0.482 553 A N -0.775 122.128 122.820 0.139 0.000 2.599 553 A HA 0.745 5.065 4.320 -0.000 0.000 0.290 553 A C -0.221 176.977 177.584 -0.644 0.000 1.101 553 A CA 0.074 52.067 52.037 -0.074 0.000 0.674 553 A CB 0.833 19.652 19.000 -0.302 0.000 1.277 553 A HN 0.414 nan 8.150 nan 0.000 0.419 554 G N -1.209 106.928 108.800 -1.104 0.000 2.395 554 G HA2 0.515 4.475 3.960 -0.000 0.000 0.283 554 G HA3 0.515 4.475 3.960 -0.000 0.000 0.283 554 G C -0.700 173.566 174.900 -1.057 0.000 1.178 554 G CA 0.017 44.147 45.100 -1.616 0.000 0.837 554 G HN 0.620 nan 8.290 nan 0.000 0.518 555 Y N 0.982 121.097 120.300 -0.308 0.000 2.768 555 Y HA 0.266 4.816 4.550 -0.000 0.000 0.249 555 Y C 1.408 177.252 175.900 -0.094 0.000 1.146 555 Y CA -0.605 57.411 58.100 -0.141 0.000 1.171 555 Y CB 0.675 39.097 38.460 -0.063 0.000 1.249 555 Y HN 0.540 nan 8.280 nan 0.000 0.567 556 S N 0.933 116.623 115.700 -0.016 0.000 2.596 556 S HA 0.261 4.730 4.470 -0.000 0.000 0.298 556 S C 1.461 176.095 174.600 0.057 0.000 1.255 556 S CA 1.411 59.629 58.200 0.031 0.000 1.083 556 S CB 0.011 63.226 63.200 0.026 0.000 0.837 556 S HN 1.031 nan 8.310 nan 0.000 0.499 557 G N 3.569 112.405 108.800 0.061 0.000 2.189 557 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.267 557 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.267 557 G C 0.799 175.743 174.900 0.073 0.000 0.975 557 G CA 0.412 45.553 45.100 0.068 0.000 0.644 557 G HN 1.420 nan 8.290 nan 0.000 0.537 558 G N -0.322 108.526 108.800 0.080 0.000 2.985 558 G HA2 0.385 4.345 3.960 -0.000 0.000 0.209 558 G HA3 0.385 4.345 3.960 -0.000 0.000 0.209 558 G C 0.446 175.372 174.900 0.043 0.000 1.165 558 G CA 1.053 46.212 45.100 0.100 0.000 0.776 558 G HN 1.067 nan 8.290 nan 0.000 0.541 559 D N -0.369 120.023 120.400 -0.013 0.000 2.737 559 D HA -0.155 4.485 4.640 -0.000 0.000 0.238 559 D C -0.128 176.098 176.300 -0.123 0.000 1.157 559 D CA 0.400 54.358 54.000 -0.070 0.000 0.694 559 D CB -1.018 39.748 40.800 -0.057 0.000 1.021 559 D HN 0.088 nan 8.370 nan 0.000 0.420 560 I N 1.246 121.711 120.570 -0.174 0.000 2.530 560 I HA 0.481 4.651 4.170 -0.000 0.000 0.297 560 I C -0.054 175.820 176.117 -0.405 0.000 1.011 560 I CA -0.790 60.300 61.300 -0.351 0.000 1.107 560 I CB 1.451 39.139 38.000 -0.519 0.000 1.285 560 I HN 0.140 nan 8.210 nan 0.000 0.436 561 Y N 5.318 125.180 120.300 -0.730 0.000 2.524 561 Y HA 0.572 5.122 4.550 -0.000 0.000 0.347 561 Y C -1.292 174.039 175.900 -0.949 0.000 1.005 561 Y CA -0.495 57.181 58.100 -0.705 0.000 1.025 561 Y CB 1.711 39.917 38.460 -0.424 0.000 1.275 561 Y HN 0.519 nan 8.280 nan 0.000 0.460 562 H N 3.636 122.001 119.070 -1.175 0.000 2.966 562 H HA 0.438 4.994 4.556 -0.000 0.000 0.347 562 H C -0.473 174.277 175.328 -0.963 0.000 1.048 562 H CA 0.004 55.554 56.048 -0.831 0.000 1.295 562 H CB 1.843 31.212 29.762 -0.656 0.000 1.744 562 H HN 0.848 nan 8.280 nan 0.000 0.513 563 S N 1.961 117.401 115.700 -0.434 0.000 2.582 563 S HA 0.478 4.948 4.470 -0.000 0.000 0.234 563 S C 1.225 175.820 174.600 -0.009 0.000 0.961 563 S CA 0.210 58.276 58.200 -0.223 0.000 0.953 563 S CB -0.245 62.963 63.200 0.014 0.000 0.800 563 S HN 0.472 nan 8.310 nan 0.000 0.471 564 L N -1.263 119.993 121.223 0.054 0.000 2.600 564 L HA 0.857 5.197 4.340 -0.000 0.000 0.221 564 L C 1.559 178.569 176.870 0.234 0.000 1.197 564 L CA -0.112 54.809 54.840 0.134 0.000 0.838 564 L CB -1.694 40.447 42.059 0.137 0.000 1.474 564 L HN 1.544 nan 8.230 nan 0.000 0.514 565 S N -1.544 114.265 115.700 0.182 0.000 3.628 565 S HA 0.350 4.820 4.470 -0.000 0.000 0.373 565 S C 1.219 175.897 174.600 0.129 0.000 0.968 565 S CA 1.836 60.110 58.200 0.123 0.000 1.215 565 S CB -2.373 60.962 63.200 0.225 0.000 0.912 565 S HN 2.997 nan 8.310 nan 0.000 0.495 566 R N 0.000 120.550 120.500 0.083 0.000 2.786 566 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 566 R CA 0.000 56.144 56.100 0.073 0.000 0.921 566 R CB 0.000 30.326 30.300 0.043 0.000 0.687 566 R HN 0.000 nan 8.270 nan 0.000 0.535