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 1c30_1_G DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVILVNSN DATA SEQUENCE PATIMTDPEM ADATYIEPIH WEVVRKIIEK ERPDAVLPTM GGQTALNCAL DATA SEQUENCE ELERQGVLEE FGVTMIGATA DAIDKAEDRR RFDVAMKKIG LETARSGIAH DATA SEQUENCE TMEEALAVAA DVGFPCIIRP SFTMGGSGGG IAYNREEFEE ICARGLDLSP DATA SEQUENCE TKELLIDESL IGWKEYEMEV VRDKNDNCII VCSIENFDAM GIHTGDSITV DATA SEQUENCE APAQTLTDKE YQIMRNASMA VLREIGVETG GSNVQFAVNP KNGRLIVIEM DATA SEQUENCE NPRVSRSSAL ASKATGFPIA KVAAKLAVGY TLDELMNDIT GGRTPASFEP DATA SEQUENCE SIDYVVTKIP RFNFEKFAGA NDRLTTQMKS VGEVMAIGRT QQESLQKALR DATA SEQUENCE GLEVGATGFD PKVSLDDPEA LTKIRRELKD AGADRIWYIA DAFRAGLSVD DATA SEQUENCE GVFNLTNIDR WFLVQIEELV RLEEKVAEVG ITGLNADFLR QLKRKGFADA DATA SEQUENCE RLAKLAGVRE AEIRKLRDQY DLHPVYKRVD TCAAEFATDT AYMYSTYEEE DATA SEQUENCE CEANPSTDRE KIMVLGGGPN RIGQGIEFDY CCVHASLALR EDGYETIMVN DATA SEQUENCE CNPETVSTDY DTSDRLYFEP VTLEDVLEIV RIEKPKGVIV QYGGQTPLKL DATA SEQUENCE ARALEAAGVP VIGTSPDAID RAEDRERFQH AVERLKLKQP ANATVTAIEM DATA SEQUENCE AVEKAKEIGY PLVVRPXXXX XXXAMEIVYD EADLRRYFQT AXXXXXXXXV DATA SEQUENCE LLDHFLDDAV EVDVDAICDG EMVLIGGIME HIEQAGVHSG DSACSLPAYT DATA SEQUENCE LSQEIQDVMR QQVQKLAFEL QVRGLMNVQF AVKNNEVYLI EVNPRAARTV DATA SEQUENCE PFVSKATGVP LAKVAARVMA GKSLAEQGVT KEVIPPYYSV KEVVLPFNKF DATA SEQUENCE PGVDPLLGPE MRSTGEVMGV GRTFAEAFAK AQLGSNSTMK KHGRALLSVR DATA SEQUENCE EGDKERVVDL AAKLLKQGFE LDATHGTAIV LGEAGINPRL VNKVHEGRPH DATA SEQUENCE IQDRIKNGEY TYIINTTSGR RAIEDSRVIR RSALQYKVHY DTTLNGGFAT DATA SEQUENCE AMALNADATE KVISVQEMHA QIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.266 176.300 -0.057 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.032 0.000 1.302 2 P HA 0.290 nan 4.420 nan 0.000 0.333 2 P C -1.432 175.556 177.300 -0.519 0.000 1.315 2 P CA -0.526 62.417 63.100 -0.261 0.000 0.746 2 P CB 0.065 31.699 31.700 -0.110 0.000 1.575 3 K N 0.410 120.358 120.400 -0.754 0.000 2.527 3 K HA -0.006 4.224 4.320 -0.149 0.000 0.278 3 K C 0.044 176.548 176.600 -0.160 0.000 0.981 3 K CA 0.181 56.163 56.287 -0.509 0.000 1.009 3 K CB 0.299 32.631 32.500 -0.280 0.000 0.895 3 K HN 0.189 nan 8.250 nan 0.000 0.493 4 R N 1.531 122.007 120.500 -0.040 0.000 2.491 4 R HA -0.001 4.250 4.340 -0.149 0.000 0.283 4 R C 0.703 177.048 176.300 0.076 0.000 1.072 4 R CA 0.556 56.670 56.100 0.023 0.000 1.048 4 R CB 0.624 30.948 30.300 0.041 0.000 0.983 4 R HN 0.954 nan 8.270 nan 0.000 0.450 5 T N -2.685 111.889 114.554 0.033 0.000 3.023 5 T HA -0.030 4.231 4.350 -0.149 0.000 0.253 5 T C 0.710 175.431 174.700 0.035 0.000 1.038 5 T CA -0.093 62.021 62.100 0.023 0.000 0.962 5 T CB 0.169 69.034 68.868 -0.005 0.000 1.018 5 T HN 0.643 nan 8.240 nan 0.000 0.521 6 D N 1.330 121.756 120.400 0.043 0.000 2.336 6 D HA 0.183 4.733 4.640 -0.149 0.000 0.228 6 D C 0.167 176.506 176.300 0.064 0.000 1.120 6 D CA -0.406 53.620 54.000 0.042 0.000 0.839 6 D CB -0.288 40.529 40.800 0.028 0.000 0.932 6 D HN 0.481 nan 8.370 nan 0.000 0.509 7 I N 0.125 120.759 120.570 0.106 0.000 2.548 7 I HA 0.180 4.260 4.170 -0.149 0.000 0.287 7 I C 0.595 176.854 176.117 0.237 0.000 1.103 7 I CA -0.624 60.768 61.300 0.154 0.000 1.049 7 I CB 2.585 40.673 38.000 0.146 0.000 1.232 7 I HN -0.280 nan 8.210 nan 0.000 0.429 8 K N 2.432 122.938 120.400 0.177 0.000 2.380 8 K HA 0.245 4.475 4.320 -0.149 0.000 0.200 8 K C 0.450 177.182 176.600 0.220 0.000 1.201 8 K CA 0.643 57.023 56.287 0.155 0.000 0.916 8 K CB 0.833 33.370 32.500 0.060 0.000 1.187 8 K HN 0.681 nan 8.250 nan 0.000 0.498 9 S N 0.433 116.228 115.700 0.159 0.000 2.501 9 S HA 0.706 5.086 4.470 -0.149 0.000 0.301 9 S C -0.201 174.462 174.600 0.104 0.000 1.096 9 S CA -0.824 57.456 58.200 0.132 0.000 1.063 9 S CB 1.818 65.071 63.200 0.088 0.000 1.042 9 S HN 0.078 nan 8.310 nan 0.000 0.494 10 I N 2.036 122.656 120.570 0.084 0.000 2.619 10 I HA 0.397 4.478 4.170 -0.149 0.000 0.292 10 I C -1.352 174.784 176.117 0.032 0.000 1.100 10 I CA -0.850 60.471 61.300 0.033 0.000 1.043 10 I CB 2.189 40.176 38.000 -0.023 0.000 1.239 10 I HN 0.624 nan 8.210 nan 0.000 0.420 11 L N 7.644 128.879 121.223 0.020 0.000 2.272 11 L HA 0.608 4.858 4.340 -0.149 0.000 0.289 11 L C -0.889 175.987 176.870 0.010 0.000 1.032 11 L CA 0.087 54.940 54.840 0.020 0.000 0.810 11 L CB 0.654 42.716 42.059 0.006 0.000 1.205 11 L HN 0.380 nan 8.230 nan 0.000 0.422 12 I N 6.194 126.774 120.570 0.017 0.000 2.354 12 I HA 0.283 4.363 4.170 -0.149 0.000 0.292 12 I C -0.501 175.624 176.117 0.013 0.000 0.989 12 I CA -0.635 60.672 61.300 0.011 0.000 1.188 12 I CB 1.280 39.287 38.000 0.012 0.000 1.342 12 I HN 0.458 nan 8.210 nan 0.000 0.457 13 L N 6.227 127.451 121.223 0.001 0.000 2.278 13 L HA 0.415 4.665 4.340 -0.149 0.000 0.287 13 L C 0.989 177.851 176.870 -0.013 0.000 1.072 13 L CA -0.309 54.527 54.840 -0.007 0.000 0.819 13 L CB 0.497 42.544 42.059 -0.019 0.000 1.176 13 L HN 0.696 nan 8.230 nan 0.000 0.435 14 G N 1.675 110.474 108.800 -0.003 0.000 2.599 14 G HA2 0.395 4.265 3.960 -0.149 0.000 0.264 14 G HA3 0.395 4.265 3.960 -0.149 0.000 0.264 14 G C 0.741 175.617 174.900 -0.041 0.000 1.200 14 G CA 0.111 45.212 45.100 0.002 0.000 0.896 14 G HN 0.783 nan 8.290 nan 0.000 0.536 15 A N -0.660 122.131 122.820 -0.048 0.000 2.081 15 A HA 0.561 4.791 4.320 -0.149 0.000 0.214 15 A C 1.605 179.154 177.584 -0.058 0.000 1.158 15 A CA 1.573 53.536 52.037 -0.124 0.000 0.724 15 A CB -0.774 18.096 19.000 -0.216 0.000 0.826 15 A HN 2.521 nan 8.150 nan 0.000 0.463 16 G N -0.886 107.907 108.800 -0.012 0.000 2.512 16 G HA2 -0.062 3.808 3.960 -0.149 0.000 0.210 16 G HA3 -0.062 3.808 3.960 -0.149 0.000 0.210 16 G C -3.120 171.783 174.900 0.005 0.000 1.295 16 G CA -0.362 44.732 45.100 -0.010 0.000 0.934 16 G HN 0.383 nan 8.290 nan 0.000 0.554 17 P HA 0.495 nan 4.420 nan 0.000 0.277 17 P C 0.265 177.568 177.300 0.005 0.000 1.240 17 P CA -0.512 62.582 63.100 -0.010 0.000 0.798 17 P CB 0.543 32.222 31.700 -0.034 0.000 0.979 18 I N 2.353 122.930 120.570 0.012 0.000 2.683 18 I HA 0.035 4.115 4.170 -0.149 0.000 0.286 18 I C 0.968 177.083 176.117 -0.003 0.000 1.175 18 I CA 0.156 61.470 61.300 0.023 0.000 1.429 18 I CB -0.486 37.523 38.000 0.016 0.000 1.371 18 I HN 0.203 nan 8.210 nan 0.000 0.569 19 V N 4.925 124.839 119.914 0.001 0.000 3.141 19 V HA 0.572 4.602 4.120 -0.149 0.000 0.312 19 V C -0.060 176.011 176.094 -0.038 0.000 1.157 19 V CA -1.207 61.075 62.300 -0.031 0.000 1.041 19 V CB 2.121 33.919 31.823 -0.043 0.000 1.071 19 V HN 0.440 nan 8.190 nan 0.000 0.441 20 I N 2.257 122.779 120.570 -0.079 0.000 2.587 20 I HA 0.472 4.552 4.170 -0.149 0.000 0.284 20 I C 1.435 177.496 176.117 -0.093 0.000 1.134 20 I CA 1.848 63.088 61.300 -0.100 0.000 1.410 20 I CB 0.665 38.565 38.000 -0.167 0.000 1.392 20 I HN 1.252 nan 8.210 nan 0.000 0.545 21 G N 4.841 113.600 108.800 -0.068 0.000 2.195 21 G HA2 -0.275 3.596 3.960 -0.149 0.000 0.246 21 G HA3 -0.275 3.596 3.960 -0.149 0.000 0.246 21 G C 0.283 175.217 174.900 0.056 0.000 0.984 21 G CA -0.022 45.048 45.100 -0.050 0.000 0.633 21 G HN 0.590 nan 8.290 nan 0.000 0.525 22 Q N -0.094 119.766 119.800 0.099 0.000 3.761 22 Q HA 0.655 4.905 4.340 -0.149 0.000 0.206 22 Q C 0.196 176.346 176.000 0.249 0.000 0.900 22 Q CA 0.425 56.389 55.803 0.269 0.000 0.737 22 Q CB 0.573 29.384 28.738 0.121 0.000 1.454 22 Q HN 0.853 nan 8.270 nan 0.000 0.448 23 A N -0.046 122.892 122.820 0.197 0.000 3.687 23 A HA 0.375 4.606 4.320 -0.149 0.000 0.164 23 A C 1.175 178.794 177.584 0.059 0.000 1.564 23 A CA -0.163 51.928 52.037 0.089 0.000 0.896 23 A CB -0.351 18.650 19.000 0.003 0.000 1.731 23 A HN 0.769 nan 8.150 nan 0.000 0.607 24 C N 1.059 120.354 119.300 -0.008 0.000 2.398 24 C HA -0.136 4.235 4.460 -0.149 0.000 0.279 24 C C 2.590 177.542 174.990 -0.062 0.000 1.250 24 C CA 1.259 60.273 59.018 -0.006 0.000 1.786 24 C CB -1.445 26.290 27.740 -0.008 0.000 2.018 24 C HN 0.861 nan 8.230 nan 0.000 0.494 25 E N 1.369 121.416 120.200 -0.254 0.000 2.233 25 E HA -0.247 4.013 4.350 -0.149 0.000 0.199 25 E C 1.395 177.760 176.600 -0.392 0.000 1.004 25 E CA 1.738 57.909 56.400 -0.381 0.000 0.819 25 E CB -0.770 28.560 29.700 -0.617 0.000 0.738 25 E HN 0.680 nan 8.360 nan 0.000 0.478 26 F N 1.263 121.271 119.950 0.098 0.000 2.664 26 F HA 0.111 4.548 4.527 -0.151 0.000 0.296 26 F C 2.042 177.883 175.800 0.068 0.000 1.125 26 F CA 0.631 58.675 58.000 0.073 0.000 1.444 26 F CB -0.229 38.796 39.000 0.042 0.000 1.114 26 F HN 0.012 nan 8.300 nan 0.000 0.576 27 D N -0.571 119.940 120.400 0.185 0.000 2.137 27 D HA -0.223 4.327 4.640 -0.149 0.000 0.202 27 D C 2.201 178.576 176.300 0.124 0.000 0.970 27 D CA 1.068 55.155 54.000 0.145 0.000 0.837 27 D CB -0.358 40.519 40.800 0.127 0.000 0.981 27 D HN 0.265 nan 8.370 nan 0.000 0.475 28 Y N 1.085 121.390 120.300 0.008 0.000 2.097 28 Y HA -0.217 4.244 4.550 -0.149 0.000 0.282 28 Y C 2.398 178.302 175.900 0.006 0.000 1.152 28 Y CA 2.347 60.439 58.100 -0.014 0.000 1.136 28 Y CB -0.613 37.820 38.460 -0.045 0.000 0.975 28 Y HN -0.065 nan 8.280 nan 0.000 0.498 29 S N 0.098 115.754 115.700 -0.074 0.000 2.356 29 S HA -0.131 4.250 4.470 -0.149 0.000 0.223 29 S C 2.221 176.783 174.600 -0.064 0.000 1.032 29 S CA 1.201 59.331 58.200 -0.117 0.000 1.005 29 S CB -1.186 62.069 63.200 0.093 0.000 0.867 29 S HN 0.734 nan 8.310 nan 0.000 0.449 30 G N 1.274 110.097 108.800 0.039 0.000 2.422 30 G HA2 -0.039 3.832 3.960 -0.149 0.000 0.218 30 G HA3 -0.039 3.832 3.960 -0.149 0.000 0.218 30 G C 1.537 176.429 174.900 -0.013 0.000 1.146 30 G CA 0.909 46.029 45.100 0.033 0.000 0.769 30 G HN 0.568 nan 8.290 nan 0.000 0.547 31 A N 0.370 123.169 122.820 -0.035 0.000 1.902 31 A HA -0.076 4.154 4.320 -0.149 0.000 0.217 31 A C 2.326 179.854 177.584 -0.094 0.000 1.181 31 A CA 1.839 53.848 52.037 -0.047 0.000 0.623 31 A CB -0.435 18.544 19.000 -0.035 0.000 0.818 31 A HN 0.425 nan 8.150 nan 0.000 0.443 32 Q N -0.743 118.945 119.800 -0.188 0.000 2.096 32 Q HA -0.165 4.086 4.340 -0.149 0.000 0.204 32 Q C 2.453 178.388 176.000 -0.110 0.000 0.982 32 Q CA 1.465 57.144 55.803 -0.205 0.000 0.850 32 Q CB -0.379 28.147 28.738 -0.353 0.000 0.901 32 Q HN 0.693 nan 8.270 nan 0.000 0.422 33 A N 0.271 123.042 122.820 -0.082 0.000 1.933 33 A HA -0.180 4.050 4.320 -0.149 0.000 0.218 33 A C 2.370 179.942 177.584 -0.021 0.000 1.175 33 A CA 1.264 53.278 52.037 -0.039 0.000 0.628 33 A CB -0.857 18.131 19.000 -0.019 0.000 0.814 33 A HN 0.469 nan 8.150 nan 0.000 0.444 34 C N -0.812 118.478 119.300 -0.017 0.000 2.436 34 C HA -0.066 4.305 4.460 -0.149 0.000 0.277 34 C C 2.676 177.671 174.990 0.008 0.000 1.241 34 C CA 1.346 60.365 59.018 0.002 0.000 1.721 34 C CB -1.025 26.718 27.740 0.005 0.000 2.043 34 C HN 0.760 nan 8.230 nan 0.000 0.472 35 K N 1.242 121.635 120.400 -0.011 0.000 2.059 35 K HA -0.235 3.996 4.320 -0.149 0.000 0.212 35 K C 2.009 178.613 176.600 0.007 0.000 1.050 35 K CA 2.071 58.353 56.287 -0.009 0.000 0.927 35 K CB -0.350 32.129 32.500 -0.035 0.000 0.714 35 K HN 0.436 nan 8.250 nan 0.000 0.447 36 A N 0.690 123.509 122.820 -0.001 0.000 1.898 36 A HA -0.074 4.156 4.320 -0.149 0.000 0.216 36 A C 2.112 179.739 177.584 0.071 0.000 1.181 36 A CA 1.336 53.383 52.037 0.017 0.000 0.620 36 A CB -0.492 18.507 19.000 -0.002 0.000 0.819 36 A HN 0.335 nan 8.150 nan 0.000 0.442 37 L N -1.364 119.900 121.223 0.068 0.000 2.156 37 L HA -0.074 4.176 4.340 -0.149 0.000 0.208 37 L C 2.718 179.720 176.870 0.220 0.000 1.095 37 L CA 1.272 56.196 54.840 0.139 0.000 0.770 37 L CB -0.435 41.642 42.059 0.030 0.000 0.914 37 L HN 0.438 nan 8.230 nan 0.000 0.439 38 R N 0.824 121.396 120.500 0.121 0.000 2.070 38 R HA -0.201 4.050 4.340 -0.149 0.000 0.232 38 R C 2.139 178.494 176.300 0.092 0.000 1.138 38 R CA 1.794 57.952 56.100 0.097 0.000 0.936 38 R CB -0.135 30.196 30.300 0.052 0.000 0.839 38 R HN 0.311 nan 8.270 nan 0.000 0.429 39 E N -0.072 120.172 120.200 0.074 0.000 2.147 39 E HA -0.211 4.050 4.350 -0.149 0.000 0.199 39 E C 1.494 178.141 176.600 0.079 0.000 1.005 39 E CA 1.378 57.812 56.400 0.057 0.000 0.810 39 E CB 0.030 29.752 29.700 0.038 0.000 0.736 39 E HN 0.378 nan 8.360 nan 0.000 0.460 40 E N -0.706 119.586 120.200 0.154 0.000 2.502 40 E HA 0.022 4.282 4.350 -0.149 0.000 0.194 40 E C 0.897 177.523 176.600 0.043 0.000 1.062 40 E CA 0.638 57.164 56.400 0.210 0.000 0.867 40 E CB 0.593 30.575 29.700 0.470 0.000 0.888 40 E HN 0.373 nan 8.360 nan 0.000 0.510 41 G N 1.328 110.133 108.800 0.009 0.000 2.212 41 G HA2 -0.292 3.578 3.960 -0.149 0.000 0.255 41 G HA3 -0.292 3.578 3.960 -0.149 0.000 0.255 41 G C -0.369 174.380 174.900 -0.251 0.000 1.062 41 G CA 0.025 45.055 45.100 -0.116 0.000 0.815 41 G HN 0.195 nan 8.290 nan 0.000 0.497 42 Y N -0.840 119.481 120.300 0.035 0.000 2.403 42 Y HA 0.617 5.078 4.550 -0.149 0.000 0.323 42 Y C 1.134 177.049 175.900 0.024 0.000 1.226 42 Y CA -0.961 57.158 58.100 0.032 0.000 1.235 42 Y CB 1.003 39.486 38.460 0.039 0.000 1.248 42 Y HN 0.134 nan 8.280 nan 0.000 0.489 43 R N 1.822 122.443 120.500 0.201 0.000 2.205 43 R HA 0.427 4.677 4.340 -0.149 0.000 0.342 43 R C -1.680 174.694 176.300 0.123 0.000 1.058 43 R CA -0.302 55.869 56.100 0.119 0.000 0.904 43 R CB 0.110 30.462 30.300 0.086 0.000 1.089 43 R HN 0.481 nan 8.270 nan 0.000 0.471 44 V N 7.375 127.347 119.914 0.096 0.000 2.348 44 V HA 0.290 4.321 4.120 -0.149 0.000 0.270 44 V C 0.151 176.278 176.094 0.056 0.000 1.037 44 V CA -0.401 61.943 62.300 0.074 0.000 0.872 44 V CB 1.103 32.965 31.823 0.066 0.000 1.002 44 V HN 0.613 nan 8.190 nan 0.000 0.464 45 I N 6.947 127.557 120.570 0.066 0.000 2.404 45 I HA 0.676 4.756 4.170 -0.149 0.000 0.293 45 I C -0.353 175.818 176.117 0.090 0.000 0.992 45 I CA -0.513 60.842 61.300 0.092 0.000 1.149 45 I CB 1.630 39.700 38.000 0.116 0.000 1.315 45 I HN 0.575 nan 8.210 nan 0.000 0.446 46 L N 5.063 126.353 121.223 0.111 0.000 2.415 46 L HA 0.933 5.184 4.340 -0.149 0.000 0.256 46 L C -1.444 175.515 176.870 0.149 0.000 1.010 46 L CA -0.953 53.943 54.840 0.093 0.000 0.826 46 L CB 2.221 44.311 42.059 0.051 0.000 1.405 46 L HN 0.370 nan 8.230 nan 0.000 0.410 47 V N 2.209 122.184 119.914 0.102 0.000 2.531 47 V HA 0.735 4.765 4.120 -0.149 0.000 0.301 47 V C -1.563 174.565 176.094 0.056 0.000 1.034 47 V CA 0.059 62.423 62.300 0.107 0.000 0.865 47 V CB 1.713 33.571 31.823 0.058 0.000 0.995 47 V HN 0.971 nan 8.190 nan 0.000 0.424 48 N N 3.192 121.923 118.700 0.053 0.000 2.600 48 N HA 0.224 4.875 4.740 -0.149 0.000 0.272 48 N C 0.371 175.895 175.510 0.023 0.000 1.095 48 N CA 0.274 53.342 53.050 0.030 0.000 0.993 48 N CB 2.347 40.854 38.487 0.034 0.000 1.603 48 N HN 0.657 nan 8.380 nan 0.000 0.526 49 S N 1.430 117.135 115.700 0.008 0.000 2.561 49 S HA -0.003 4.377 4.470 -0.149 0.000 0.225 49 S C 0.698 175.293 174.600 -0.008 0.000 0.977 49 S CA 0.068 58.266 58.200 -0.005 0.000 0.926 49 S CB -0.217 62.971 63.200 -0.021 0.000 0.769 49 S HN 0.559 nan 8.310 nan 0.000 0.533 50 N N 3.070 121.769 118.700 -0.002 0.000 2.406 50 N HA 0.275 4.925 4.740 -0.149 0.000 0.251 50 N C -1.841 173.665 175.510 -0.007 0.000 1.069 50 N CA -2.381 50.665 53.050 -0.008 0.000 0.947 50 N CB 1.471 39.961 38.487 0.006 0.000 1.111 50 N HN 0.003 nan 8.380 nan 0.000 0.497 51 P HA 0.013 nan 4.420 nan 0.000 0.222 51 P C 0.141 177.356 177.300 -0.141 0.000 1.153 51 P CA 0.569 63.651 63.100 -0.030 0.000 0.798 51 P CB 0.186 31.913 31.700 0.044 0.000 0.796 52 A N 0.508 123.224 122.820 -0.174 0.000 2.648 52 A HA 0.269 4.500 4.320 -0.149 0.000 0.269 52 A C 0.521 178.068 177.584 -0.062 0.000 1.392 52 A CA 0.042 51.880 52.037 -0.332 0.000 1.019 52 A CB -1.427 17.406 19.000 -0.278 0.000 1.009 52 A HN 0.263 nan 8.150 nan 0.000 0.565 53 T N -2.598 111.982 114.554 0.042 0.000 2.779 53 T HA 0.490 4.750 4.350 -0.149 0.000 0.280 53 T C 0.921 175.777 174.700 0.260 0.000 0.987 53 T CA -0.664 61.528 62.100 0.154 0.000 0.966 53 T CB 0.892 69.815 68.868 0.093 0.000 0.933 53 T HN 0.023 nan 8.240 nan 0.000 0.442 54 I N 3.198 123.916 120.570 0.247 0.000 2.361 54 I HA -0.135 3.945 4.170 -0.149 0.000 0.251 54 I C 2.414 178.610 176.117 0.131 0.000 1.133 54 I CA 1.502 62.906 61.300 0.174 0.000 1.413 54 I CB -0.789 37.242 38.000 0.051 0.000 1.073 54 I HN 0.842 nan 8.210 nan 0.000 0.424 55 M N 0.861 120.523 119.600 0.103 0.000 2.549 55 M HA -0.131 4.259 4.480 -0.149 0.000 0.260 55 M C 1.524 177.860 176.300 0.060 0.000 1.076 55 M CA 1.856 57.196 55.300 0.067 0.000 1.090 55 M CB -0.673 31.958 32.600 0.052 0.000 1.418 55 M HN 0.288 nan 8.290 nan 0.000 0.486 56 T N -2.608 111.994 114.554 0.079 0.000 3.086 56 T HA 0.143 4.403 4.350 -0.149 0.000 0.250 56 T C 0.001 174.725 174.700 0.039 0.000 1.074 56 T CA -0.475 61.650 62.100 0.041 0.000 0.988 56 T CB -0.434 68.450 68.868 0.026 0.000 0.988 56 T HN 0.225 nan 8.240 nan 0.000 0.530 57 D N 4.108 124.563 120.400 0.092 0.000 2.450 57 D HA 0.116 4.667 4.640 -0.149 0.000 0.247 57 D C -1.167 175.136 176.300 0.005 0.000 1.162 57 D CA -1.897 52.161 54.000 0.096 0.000 0.879 57 D CB 1.531 42.422 40.800 0.151 0.000 1.163 57 D HN 0.135 nan 8.370 nan 0.000 0.472 58 P HA -0.213 nan 4.420 nan 0.000 0.217 58 P C 1.100 178.361 177.300 -0.065 0.000 1.151 58 P CA 1.219 64.251 63.100 -0.114 0.000 0.849 58 P CB 0.490 32.085 31.700 -0.175 0.000 0.787 59 E N -1.359 118.823 120.200 -0.031 0.000 2.204 59 E HA -0.080 4.180 4.350 -0.149 0.000 0.194 59 E C 1.988 178.580 176.600 -0.014 0.000 0.989 59 E CA 0.913 57.301 56.400 -0.021 0.000 0.824 59 E CB -0.790 28.899 29.700 -0.018 0.000 0.756 59 E HN 0.053 nan 8.360 nan 0.000 0.477 60 M N -0.426 119.169 119.600 -0.008 0.000 2.279 60 M HA 0.053 4.444 4.480 -0.149 0.000 0.264 60 M C 0.789 177.089 176.300 -0.001 0.000 1.062 60 M CA 0.762 56.063 55.300 0.000 0.000 1.099 60 M CB -0.918 31.690 32.600 0.012 0.000 1.394 60 M HN 0.040 nan 8.290 nan 0.000 0.426 61 A N -0.954 121.858 122.820 -0.014 0.000 2.525 61 A HA 0.523 4.754 4.320 -0.149 0.000 0.291 61 A C 0.169 177.739 177.584 -0.022 0.000 1.268 61 A CA -0.613 51.419 52.037 -0.009 0.000 0.712 61 A CB 0.562 19.559 19.000 -0.005 0.000 1.320 61 A HN 0.158 nan 8.150 nan 0.000 0.456 62 D N -0.064 120.329 120.400 -0.011 0.000 2.214 62 D HA 0.273 4.823 4.640 -0.149 0.000 0.217 62 D C 0.757 177.026 176.300 -0.051 0.000 0.973 62 D CA 1.740 55.730 54.000 -0.016 0.000 0.880 62 D CB 0.027 40.834 40.800 0.012 0.000 1.031 62 D HN 0.658 nan 8.370 nan 0.000 0.468 63 A N 1.158 123.949 122.820 -0.049 0.000 2.431 63 A HA 0.486 4.717 4.320 -0.149 0.000 0.318 63 A C -0.482 176.975 177.584 -0.211 0.000 1.330 63 A CA -0.462 51.497 52.037 -0.130 0.000 0.804 63 A CB 0.662 19.674 19.000 0.021 0.000 1.135 63 A HN -0.116 nan 8.150 nan 0.000 0.483 64 T N 2.716 117.063 114.554 -0.345 0.000 2.744 64 T HA 0.437 4.697 4.350 -0.149 0.000 0.291 64 T C -1.000 173.394 174.700 -0.509 0.000 0.957 64 T CA 0.402 62.330 62.100 -0.287 0.000 1.002 64 T CB -0.060 68.687 68.868 -0.201 0.000 0.919 64 T HN 0.397 nan 8.240 nan 0.000 0.468 65 Y N 2.752 123.021 120.300 -0.052 0.000 2.417 65 Y HA 0.430 4.890 4.550 -0.150 0.000 0.336 65 Y C 0.567 176.435 175.900 -0.054 0.000 0.961 65 Y CA -1.024 57.040 58.100 -0.059 0.000 1.215 65 Y CB 0.485 38.911 38.460 -0.057 0.000 1.120 65 Y HN 0.570 nan 8.280 nan 0.000 0.499 66 I N 4.927 125.520 120.570 0.039 0.000 2.206 66 I HA 0.160 4.241 4.170 -0.149 0.000 0.292 66 I C -0.167 175.971 176.117 0.034 0.000 1.156 66 I CA 0.213 61.526 61.300 0.021 0.000 1.356 66 I CB -0.300 37.691 38.000 -0.015 0.000 1.494 66 I HN 0.555 nan 8.210 nan 0.000 0.601 67 E N 5.428 125.661 120.200 0.054 0.000 2.392 67 E HA 0.446 4.707 4.350 -0.149 0.000 0.269 67 E C -2.598 173.996 176.600 -0.010 0.000 0.924 67 E CA -2.094 54.317 56.400 0.018 0.000 0.784 67 E CB 2.017 31.733 29.700 0.027 0.000 1.292 67 E HN 0.005 nan 8.360 nan 0.000 0.447 68 P HA 0.074 nan 4.420 nan 0.000 0.262 68 P C 0.098 177.395 177.300 -0.006 0.000 1.182 68 P CA 0.437 63.517 63.100 -0.033 0.000 0.761 68 P CB 0.169 31.835 31.700 -0.058 0.000 0.795 69 I N 3.708 124.281 120.570 0.005 0.000 2.280 69 I HA 0.037 4.117 4.170 -0.149 0.000 0.287 69 I C 1.176 177.318 176.117 0.042 0.000 1.121 69 I CA 0.196 61.502 61.300 0.011 0.000 1.798 69 I CB -0.987 37.010 38.000 -0.006 0.000 1.489 69 I HN 0.381 nan 8.210 nan 0.000 0.805 70 H N 4.772 123.809 119.070 -0.055 0.000 2.469 70 H HA 0.051 4.517 4.556 -0.150 0.000 0.342 70 H C 0.635 175.919 175.328 -0.075 0.000 1.115 70 H CA -0.870 55.145 56.048 -0.054 0.000 1.204 70 H CB 1.370 31.052 29.762 -0.134 0.000 1.492 70 H HN 0.553 nan 8.280 nan 0.000 0.499 71 W N 4.880 125.985 121.300 -0.325 0.000 2.341 71 W HA -0.124 4.446 4.660 -0.150 0.000 0.283 71 W C 0.451 176.992 176.519 0.035 0.000 1.215 71 W CA 0.845 58.107 57.345 -0.138 0.000 1.211 71 W CB -0.425 28.921 29.460 -0.189 0.000 1.131 71 W HN 0.644 nan 8.180 nan 0.000 0.552 72 E N 0.761 120.568 120.200 -0.655 0.000 2.152 72 E HA -0.124 4.137 4.350 -0.149 0.000 0.192 72 E C 2.408 178.815 176.600 -0.322 0.000 0.983 72 E CA 1.414 57.375 56.400 -0.730 0.000 0.818 72 E CB -0.040 29.210 29.700 -0.750 0.000 0.758 72 E HN 0.111 nan 8.360 nan 0.000 0.467 73 V N 0.563 120.371 119.914 -0.177 0.000 2.453 73 V HA -0.182 3.848 4.120 -0.149 0.000 0.247 73 V C 2.249 178.235 176.094 -0.181 0.000 1.048 73 V CA 1.006 63.202 62.300 -0.174 0.000 1.049 73 V CB -0.112 31.635 31.823 -0.127 0.000 0.672 73 V HN 0.126 nan 8.190 nan 0.000 0.457 74 V N 0.597 120.438 119.914 -0.122 0.000 2.343 74 V HA -0.282 3.749 4.120 -0.149 0.000 0.247 74 V C 2.574 178.568 176.094 -0.167 0.000 1.051 74 V CA 2.463 64.689 62.300 -0.123 0.000 1.036 74 V CB -0.881 30.923 31.823 -0.033 0.000 0.654 74 V HN 0.553 nan 8.190 nan 0.000 0.451 75 R N 0.124 120.552 120.500 -0.119 0.000 2.105 75 R HA -0.191 4.060 4.340 -0.149 0.000 0.239 75 R C 2.385 178.513 176.300 -0.286 0.000 1.135 75 R CA 1.407 57.412 56.100 -0.159 0.000 0.967 75 R CB -0.165 30.118 30.300 -0.027 0.000 0.861 75 R HN 0.299 nan 8.270 nan 0.000 0.442 76 K N 0.901 121.157 120.400 -0.240 0.000 2.026 76 K HA -0.115 4.115 4.320 -0.149 0.000 0.208 76 K C 2.107 178.527 176.600 -0.301 0.000 1.048 76 K CA 1.549 57.693 56.287 -0.238 0.000 0.929 76 K CB -0.399 31.977 32.500 -0.207 0.000 0.713 76 K HN 0.322 nan 8.250 nan 0.000 0.439 77 I N 0.612 120.963 120.570 -0.364 0.000 2.226 77 I HA -0.265 3.815 4.170 -0.149 0.000 0.245 77 I C 2.311 178.215 176.117 -0.355 0.000 1.100 77 I CA 1.058 62.072 61.300 -0.477 0.000 1.374 77 I CB -0.281 37.336 38.000 -0.638 0.000 1.057 77 I HN 0.037 nan 8.210 nan 0.000 0.413 78 I N 0.397 120.750 120.570 -0.361 0.000 2.226 78 I HA -0.259 3.821 4.170 -0.149 0.000 0.245 78 I C 2.731 178.536 176.117 -0.519 0.000 1.100 78 I CA 1.171 62.236 61.300 -0.391 0.000 1.374 78 I CB -0.362 37.380 38.000 -0.429 0.000 1.057 78 I HN 0.271 nan 8.210 nan 0.000 0.413 79 E N 1.548 121.343 120.200 -0.675 0.000 2.110 79 E HA -0.283 3.978 4.350 -0.149 0.000 0.193 79 E C 2.057 178.572 176.600 -0.141 0.000 0.988 79 E CA 1.519 57.618 56.400 -0.502 0.000 0.804 79 E CB 0.004 29.512 29.700 -0.320 0.000 0.745 79 E HN 0.449 nan 8.360 nan 0.000 0.458 80 K N 0.092 120.406 120.400 -0.143 0.000 2.031 80 K HA -0.088 4.143 4.320 -0.149 0.000 0.205 80 K C 1.872 178.460 176.600 -0.020 0.000 1.049 80 K CA 1.201 57.454 56.287 -0.056 0.000 0.939 80 K CB 0.094 32.560 32.500 -0.058 0.000 0.717 80 K HN -0.059 nan 8.250 nan 0.000 0.438 81 E N 0.686 120.858 120.200 -0.047 0.000 2.299 81 E HA -0.028 4.233 4.350 -0.149 0.000 0.193 81 E C -0.161 176.447 176.600 0.013 0.000 0.998 81 E CA 0.164 56.568 56.400 0.006 0.000 0.851 81 E CB 0.188 29.910 29.700 0.036 0.000 0.795 81 E HN 0.216 nan 8.360 nan 0.000 0.492 82 R N 0.712 121.207 120.500 -0.010 0.000 3.188 82 R HA -0.125 4.126 4.340 -0.149 0.000 0.247 82 R C -2.314 174.016 176.300 0.049 0.000 0.918 82 R CA 0.347 56.475 56.100 0.046 0.000 0.629 82 R CB -2.396 27.960 30.300 0.093 0.000 1.087 82 R HN 0.238 nan 8.270 nan 0.000 0.462 83 P HA 0.043 nan 4.420 nan 0.000 0.269 83 P C 0.586 177.920 177.300 0.056 0.000 1.209 83 P CA -0.140 62.983 63.100 0.039 0.000 0.776 83 P CB 0.641 32.352 31.700 0.018 0.000 0.876 84 D N 0.396 120.833 120.400 0.060 0.000 2.162 84 D HA 0.063 4.614 4.640 -0.149 0.000 0.203 84 D C 0.804 177.134 176.300 0.050 0.000 0.967 84 D CA 1.271 55.308 54.000 0.062 0.000 0.840 84 D CB 0.335 41.177 40.800 0.071 0.000 0.972 84 D HN 0.472 nan 8.370 nan 0.000 0.482 85 A N -0.283 122.560 122.820 0.039 0.000 2.569 85 A HA 0.600 4.830 4.320 -0.149 0.000 0.290 85 A C -1.502 176.089 177.584 0.012 0.000 1.136 85 A CA -0.562 51.489 52.037 0.023 0.000 0.710 85 A CB 2.243 21.248 19.000 0.009 0.000 1.303 85 A HN -0.059 nan 8.150 nan 0.000 0.413 86 V N 0.525 120.443 119.914 0.006 0.000 2.709 86 V HA 0.701 4.732 4.120 -0.149 0.000 0.308 86 V C -1.773 174.318 176.094 -0.005 0.000 1.062 86 V CA -0.626 61.675 62.300 0.001 0.000 0.901 86 V CB 1.566 33.391 31.823 0.004 0.000 1.003 86 V HN 1.088 nan 8.190 nan 0.000 0.425 87 L N 9.861 131.078 121.223 -0.009 0.000 2.313 87 L HA 0.721 4.971 4.340 -0.149 0.000 0.273 87 L C -2.078 174.789 176.870 -0.005 0.000 1.028 87 L CA -1.375 53.459 54.840 -0.010 0.000 0.871 87 L CB 1.827 43.875 42.059 -0.020 0.000 1.242 87 L HN 0.542 nan 8.230 nan 0.000 0.434 88 P HA 0.129 nan 4.420 nan 0.000 0.261 88 P C 0.399 177.693 177.300 -0.009 0.000 1.352 88 P CA 0.139 63.235 63.100 -0.007 0.000 0.891 88 P CB 0.108 31.807 31.700 -0.000 0.000 1.383 89 T N -4.905 109.651 114.554 0.002 0.000 3.145 89 T HA 0.271 4.531 4.350 -0.149 0.000 0.255 89 T C 1.075 175.796 174.700 0.035 0.000 1.039 89 T CA -0.094 62.014 62.100 0.013 0.000 0.928 89 T CB -0.336 68.547 68.868 0.025 0.000 1.029 89 T HN -0.131 nan 8.240 nan 0.000 0.554 90 M N 0.975 120.592 119.600 0.028 0.000 2.346 90 M HA 0.399 4.789 4.480 -0.149 0.000 0.280 90 M C 1.250 177.587 176.300 0.061 0.000 1.075 90 M CA 0.048 55.397 55.300 0.083 0.000 0.989 90 M CB 0.770 33.409 32.600 0.066 0.000 1.447 90 M HN 0.431 nan 8.290 nan 0.000 0.511 91 G N 0.054 108.789 108.800 -0.107 0.000 4.250 91 G HA2 0.487 4.357 3.960 -0.149 0.000 0.295 91 G HA3 0.487 4.357 3.960 -0.149 0.000 0.295 91 G C 0.785 175.307 174.900 -0.630 0.000 1.081 91 G CA 0.132 45.063 45.100 -0.280 0.000 0.854 91 G HN 0.554 nan 8.290 nan 0.000 0.524 92 G N 0.797 109.006 108.800 -0.985 0.000 2.564 92 G HA2 -0.374 3.496 3.960 -0.149 0.000 0.273 92 G HA3 -0.374 3.496 3.960 -0.149 0.000 0.273 92 G C 0.960 175.643 174.900 -0.363 0.000 1.242 92 G CA 0.776 45.306 45.100 -0.950 0.000 0.951 92 G HN 0.576 nan 8.290 nan 0.000 0.564 93 Q N -0.946 118.701 119.800 -0.255 0.000 2.172 93 Q HA 0.095 4.346 4.340 -0.149 0.000 0.200 93 Q C 2.881 178.828 176.000 -0.088 0.000 0.964 93 Q CA 2.583 58.322 55.803 -0.108 0.000 0.855 93 Q CB -0.592 28.113 28.738 -0.054 0.000 0.918 93 Q HN 0.694 nan 8.270 nan 0.000 0.444 94 T N 0.152 114.623 114.554 -0.138 0.000 2.652 94 T HA -0.220 4.041 4.350 -0.149 0.000 0.267 94 T C 1.684 176.333 174.700 -0.085 0.000 1.039 94 T CA 1.596 63.636 62.100 -0.099 0.000 1.153 94 T CB -0.618 68.182 68.868 -0.112 0.000 0.863 94 T HN 0.478 nan 8.240 nan 0.000 0.428 95 A N 1.109 123.856 122.820 -0.121 0.000 1.908 95 A HA -0.019 4.212 4.320 -0.149 0.000 0.218 95 A C 2.319 179.878 177.584 -0.042 0.000 1.181 95 A CA 1.329 53.317 52.037 -0.081 0.000 0.627 95 A CB -0.848 18.094 19.000 -0.097 0.000 0.818 95 A HN 0.507 nan 8.150 nan 0.000 0.445 96 L N -0.526 120.677 121.223 -0.033 0.000 2.093 96 L HA -0.181 4.069 4.340 -0.149 0.000 0.208 96 L C 2.335 179.242 176.870 0.062 0.000 1.085 96 L CA 1.178 56.038 54.840 0.033 0.000 0.755 96 L CB -0.742 41.358 42.059 0.068 0.000 0.904 96 L HN 0.326 nan 8.230 nan 0.000 0.435 97 N N -0.286 118.438 118.700 0.038 0.000 2.084 97 N HA -0.192 4.458 4.740 -0.149 0.000 0.190 97 N C 1.948 177.418 175.510 -0.067 0.000 1.030 97 N CA 1.526 54.568 53.050 -0.013 0.000 0.849 97 N CB -0.818 37.659 38.487 -0.018 0.000 1.012 97 N HN 0.317 nan 8.380 nan 0.000 0.423 98 C N 1.075 120.348 119.300 -0.045 0.000 2.413 98 C HA -0.059 4.312 4.460 -0.149 0.000 0.277 98 C C 2.791 177.758 174.990 -0.038 0.000 1.228 98 C CA 1.313 60.311 59.018 -0.034 0.000 1.731 98 C CB -1.303 26.429 27.740 -0.012 0.000 2.042 98 C HN 0.498 nan 8.230 nan 0.000 0.468 99 A N -0.001 122.803 122.820 -0.025 0.000 1.903 99 A HA -0.176 4.055 4.320 -0.149 0.000 0.219 99 A C 1.898 179.457 177.584 -0.042 0.000 1.191 99 A CA 2.146 54.171 52.037 -0.019 0.000 0.638 99 A CB -0.757 18.241 19.000 -0.003 0.000 0.823 99 A HN 0.567 nan 8.150 nan 0.000 0.451 100 L N -0.768 120.420 121.223 -0.058 0.000 2.376 100 L HA -0.009 4.241 4.340 -0.149 0.000 0.219 100 L C 2.228 178.990 176.870 -0.180 0.000 1.133 100 L CA 1.790 56.571 54.840 -0.099 0.000 0.816 100 L CB -0.562 41.439 42.059 -0.097 0.000 0.933 100 L HN 0.519 nan 8.230 nan 0.000 0.449 101 E N -0.063 120.012 120.200 -0.210 0.000 2.051 101 E HA -0.117 4.144 4.350 -0.149 0.000 0.189 101 E C 2.192 178.577 176.600 -0.359 0.000 0.979 101 E CA 1.115 57.309 56.400 -0.342 0.000 0.803 101 E CB -0.199 29.288 29.700 -0.354 0.000 0.761 101 E HN 0.363 nan 8.360 nan 0.000 0.451 102 L N 0.647 121.770 121.223 -0.167 0.000 2.042 102 L HA -0.203 4.047 4.340 -0.149 0.000 0.210 102 L C 2.575 179.398 176.870 -0.078 0.000 1.076 102 L CA 1.798 56.604 54.840 -0.057 0.000 0.749 102 L CB -0.547 41.530 42.059 0.030 0.000 0.893 102 L HN 0.253 nan 8.230 nan 0.000 0.432 103 E N 0.784 120.934 120.200 -0.083 0.000 2.031 103 E HA -0.286 3.975 4.350 -0.149 0.000 0.193 103 E C 2.255 178.792 176.600 -0.105 0.000 0.994 103 E CA 1.578 57.939 56.400 -0.066 0.000 0.800 103 E CB -0.216 29.451 29.700 -0.054 0.000 0.752 103 E HN 0.224 nan 8.360 nan 0.000 0.447 104 R N -0.419 119.979 120.500 -0.169 0.000 2.081 104 R HA -0.109 4.141 4.340 -0.149 0.000 0.235 104 R C 1.916 178.079 176.300 -0.229 0.000 1.131 104 R CA 1.554 57.535 56.100 -0.198 0.000 0.960 104 R CB -0.083 30.064 30.300 -0.255 0.000 0.856 104 R HN 0.234 nan 8.270 nan 0.000 0.436 105 Q N -0.435 119.165 119.800 -0.334 0.000 2.515 105 Q HA 0.029 4.280 4.340 -0.149 0.000 0.212 105 Q C 0.959 176.892 176.000 -0.112 0.000 0.970 105 Q CA 0.987 56.586 55.803 -0.341 0.000 0.941 105 Q CB 0.615 28.916 28.738 -0.728 0.000 0.998 105 Q HN 0.712 nan 8.270 nan 0.000 0.518 106 G N -0.233 108.524 108.800 -0.071 0.000 2.184 106 G HA2 -0.318 3.553 3.960 -0.149 0.000 0.264 106 G HA3 -0.318 3.553 3.960 -0.149 0.000 0.264 106 G C 1.011 175.951 174.900 0.067 0.000 0.975 106 G CA 0.518 45.614 45.100 -0.006 0.000 0.642 106 G HN 0.335 nan 8.290 nan 0.000 0.536 107 V N 0.976 120.959 119.914 0.115 0.000 2.427 107 V HA -0.108 3.922 4.120 -0.149 0.000 0.248 107 V C 2.905 179.163 176.094 0.272 0.000 1.051 107 V CA 2.146 64.602 62.300 0.259 0.000 1.048 107 V CB -0.415 31.569 31.823 0.268 0.000 0.666 107 V HN 0.525 nan 8.190 nan 0.000 0.456 108 L N -0.155 121.153 121.223 0.143 0.000 2.046 108 L HA -0.206 4.045 4.340 -0.149 0.000 0.208 108 L C 2.554 179.496 176.870 0.119 0.000 1.077 108 L CA 2.108 57.021 54.840 0.122 0.000 0.747 108 L CB -0.596 41.498 42.059 0.058 0.000 0.896 108 L HN 0.443 nan 8.230 nan 0.000 0.432 109 E N 0.429 120.675 120.200 0.077 0.000 2.072 109 E HA -0.244 4.017 4.350 -0.149 0.000 0.190 109 E C 2.101 178.703 176.600 0.003 0.000 0.982 109 E CA 0.953 57.373 56.400 0.034 0.000 0.803 109 E CB 0.096 29.802 29.700 0.010 0.000 0.755 109 E HN 0.372 nan 8.360 nan 0.000 0.453 110 E N -0.590 119.606 120.200 -0.007 0.000 2.058 110 E HA -0.188 4.072 4.350 -0.149 0.000 0.194 110 E C 1.116 177.475 176.600 -0.402 0.000 0.997 110 E CA 1.264 57.531 56.400 -0.221 0.000 0.801 110 E CB -0.057 29.485 29.700 -0.263 0.000 0.746 110 E HN 0.309 nan 8.360 nan 0.000 0.450 111 F N -0.417 119.542 119.950 0.016 0.000 2.693 111 F HA 0.294 4.732 4.527 -0.149 0.000 0.303 111 F C 1.157 176.965 175.800 0.013 0.000 1.097 111 F CA 0.390 58.399 58.000 0.014 0.000 1.330 111 F CB 0.549 39.558 39.000 0.015 0.000 1.067 111 F HN 0.017 nan 8.300 nan 0.000 0.565 112 G N 1.647 110.512 108.800 0.108 0.000 2.372 112 G HA2 -0.233 3.637 3.960 -0.149 0.000 0.297 112 G HA3 -0.233 3.637 3.960 -0.149 0.000 0.297 112 G C -0.262 174.692 174.900 0.090 0.000 1.005 112 G CA 0.067 45.211 45.100 0.073 0.000 1.173 112 G HN 0.188 nan 8.290 nan 0.000 0.511 113 V N 0.930 120.906 119.914 0.103 0.000 2.383 113 V HA 0.476 4.506 4.120 -0.149 0.000 0.275 113 V C 0.906 177.031 176.094 0.051 0.000 1.036 113 V CA -0.233 62.115 62.300 0.079 0.000 0.889 113 V CB 1.556 33.427 31.823 0.079 0.000 0.985 113 V HN 0.420 nan 8.190 nan 0.000 0.459 114 T N 6.546 121.124 114.554 0.039 0.000 2.817 114 T HA 0.389 4.650 4.350 -0.149 0.000 0.293 114 T C -0.045 174.666 174.700 0.019 0.000 0.964 114 T CA -0.191 61.925 62.100 0.027 0.000 1.085 114 T CB 0.856 69.738 68.868 0.024 0.000 0.921 114 T HN 0.635 nan 8.240 nan 0.000 0.502 115 M N 5.499 125.108 119.600 0.016 0.000 2.120 115 M HA 0.466 4.857 4.480 -0.149 0.000 0.354 115 M C -0.564 175.740 176.300 0.007 0.000 1.287 115 M CA -0.427 54.880 55.300 0.011 0.000 1.103 115 M CB -0.084 32.523 32.600 0.012 0.000 1.623 115 M HN 0.629 nan 8.290 nan 0.000 0.471 116 I N 1.108 121.678 120.570 -0.000 0.000 2.910 116 I HA 0.940 5.020 4.170 -0.149 0.000 0.310 116 I C 0.694 176.810 176.117 -0.002 0.000 1.043 116 I CA -0.282 61.015 61.300 -0.005 0.000 1.053 116 I CB 1.812 39.799 38.000 -0.022 0.000 1.242 116 I HN 0.827 nan 8.210 nan 0.000 0.452 117 G N 2.733 111.535 108.800 0.003 0.000 2.812 117 G HA2 -0.043 3.827 3.960 -0.149 0.000 0.219 117 G HA3 -0.043 3.827 3.960 -0.149 0.000 0.219 117 G C 0.147 175.058 174.900 0.017 0.000 1.275 117 G CA 0.309 45.416 45.100 0.011 0.000 0.769 117 G HN 1.830 nan 8.290 nan 0.000 0.527 118 A N -0.357 122.472 122.820 0.015 0.000 2.540 118 A HA 0.846 5.077 4.320 -0.149 0.000 0.297 118 A C -0.018 177.577 177.584 0.018 0.000 1.056 118 A CA 0.988 53.036 52.037 0.019 0.000 0.700 118 A CB 0.862 19.874 19.000 0.020 0.000 1.280 118 A HN 1.986 nan 8.150 nan 0.000 0.398 119 T N -0.136 114.430 114.554 0.020 0.000 2.868 119 T HA 0.542 4.802 4.350 -0.149 0.000 0.292 119 T C 1.468 176.184 174.700 0.027 0.000 1.028 119 T CA 0.294 62.407 62.100 0.020 0.000 1.059 119 T CB 1.351 70.230 68.868 0.018 0.000 0.991 119 T HN 1.836 nan 8.240 nan 0.000 0.531 120 A N 1.437 124.272 122.820 0.026 0.000 1.917 120 A HA -0.143 4.088 4.320 -0.149 0.000 0.219 120 A C 2.014 179.627 177.584 0.048 0.000 1.182 120 A CA 2.336 54.393 52.037 0.034 0.000 0.633 120 A CB -1.362 17.649 19.000 0.018 0.000 0.819 120 A HN 1.050 nan 8.150 nan 0.000 0.448 121 D N -0.733 119.689 120.400 0.036 0.000 2.117 121 D HA 0.028 4.578 4.640 -0.149 0.000 0.198 121 D C 2.037 178.363 176.300 0.045 0.000 0.982 121 D CA 1.516 55.539 54.000 0.040 0.000 0.828 121 D CB -0.203 40.613 40.800 0.027 0.000 0.967 121 D HN 0.350 nan 8.370 nan 0.000 0.464 122 A N 0.383 123.224 122.820 0.036 0.000 1.865 122 A HA -0.158 4.072 4.320 -0.149 0.000 0.217 122 A C 2.400 180.005 177.584 0.035 0.000 1.191 122 A CA 1.526 53.584 52.037 0.034 0.000 0.623 122 A CB -1.022 17.995 19.000 0.028 0.000 0.826 122 A HN 0.387 nan 8.150 nan 0.000 0.444 123 I N -0.237 120.356 120.570 0.038 0.000 2.194 123 I HA -0.312 3.769 4.170 -0.149 0.000 0.246 123 I C 2.277 178.409 176.117 0.026 0.000 1.093 123 I CA 2.149 63.468 61.300 0.032 0.000 1.355 123 I CB -0.398 37.643 38.000 0.070 0.000 1.046 123 I HN 0.481 nan 8.210 nan 0.000 0.413 124 D N 0.520 120.987 120.400 0.113 0.000 2.224 124 D HA -0.191 4.360 4.640 -0.149 0.000 0.205 124 D C 2.174 178.519 176.300 0.075 0.000 0.965 124 D CA 1.055 55.164 54.000 0.181 0.000 0.852 124 D CB 0.048 40.972 40.800 0.206 0.000 0.947 124 D HN 0.089 nan 8.370 nan 0.000 0.494 125 K N -0.692 119.744 120.400 0.060 0.000 2.217 125 K HA 0.028 4.258 4.320 -0.149 0.000 0.202 125 K C 1.756 178.426 176.600 0.116 0.000 1.051 125 K CA 0.913 57.244 56.287 0.073 0.000 0.952 125 K CB 0.059 32.595 32.500 0.060 0.000 0.736 125 K HN 0.168 nan 8.250 nan 0.000 0.453 126 A N 0.586 123.434 122.820 0.047 0.000 1.956 126 A HA -0.005 4.226 4.320 -0.149 0.000 0.212 126 A C 1.646 179.090 177.584 -0.233 0.000 1.188 126 A CA 0.607 52.647 52.037 0.005 0.000 0.675 126 A CB 0.017 18.985 19.000 -0.054 0.000 0.845 126 A HN 0.148 nan 8.150 nan 0.000 0.455 127 E N 0.591 120.569 120.200 -0.369 0.000 2.170 127 E HA -0.065 4.196 4.350 -0.149 0.000 0.191 127 E C -0.081 176.156 176.600 -0.606 0.000 0.981 127 E CA 0.304 56.232 56.400 -0.787 0.000 0.830 127 E CB -0.207 28.496 29.700 -1.663 0.000 0.775 127 E HN 0.539 nan 8.360 nan 0.000 0.470 128 D N 1.514 121.777 120.400 -0.229 0.000 2.352 128 D HA 0.002 4.553 4.640 -0.149 0.000 0.245 128 D C 0.996 177.312 176.300 0.026 0.000 1.224 128 D CA -0.095 53.921 54.000 0.028 0.000 0.879 128 D CB 0.520 41.412 40.800 0.153 0.000 1.057 128 D HN -0.115 nan 8.370 nan 0.000 0.491 129 R N 3.378 123.881 120.500 0.004 0.000 2.139 129 R HA -0.187 4.063 4.340 -0.149 0.000 0.243 129 R C 2.030 178.385 176.300 0.091 0.000 1.145 129 R CA 0.834 56.948 56.100 0.023 0.000 0.976 129 R CB -0.225 30.062 30.300 -0.021 0.000 0.866 129 R HN 0.505 nan 8.270 nan 0.000 0.449 130 R N 1.069 121.617 120.500 0.081 0.000 2.075 130 R HA -0.059 4.192 4.340 -0.149 0.000 0.232 130 R C 2.313 178.658 176.300 0.077 0.000 1.126 130 R CA 1.213 57.357 56.100 0.075 0.000 0.963 130 R CB 0.012 30.361 30.300 0.081 0.000 0.858 130 R HN 0.160 nan 8.270 nan 0.000 0.435 131 R N -0.763 119.792 120.500 0.090 0.000 2.092 131 R HA -0.129 4.121 4.340 -0.149 0.000 0.231 131 R C 2.150 178.495 176.300 0.074 0.000 1.119 131 R CA 1.437 57.580 56.100 0.072 0.000 0.970 131 R CB -0.360 29.987 30.300 0.078 0.000 0.864 131 R HN 0.216 nan 8.270 nan 0.000 0.440 132 F N 1.841 121.769 119.950 -0.035 0.000 2.186 132 F HA -0.180 4.258 4.527 -0.148 0.000 0.299 132 F C 1.756 177.531 175.800 -0.041 0.000 1.090 132 F CA 1.732 59.702 58.000 -0.049 0.000 1.307 132 F CB -0.190 38.765 39.000 -0.074 0.000 1.019 132 F HN -0.039 nan 8.300 nan 0.000 0.489 133 D N -0.520 119.939 120.400 0.099 0.000 2.144 133 D HA -0.165 4.386 4.640 -0.149 0.000 0.199 133 D C 2.181 178.425 176.300 -0.093 0.000 0.984 133 D CA 1.437 55.438 54.000 0.003 0.000 0.834 133 D CB -0.016 40.815 40.800 0.052 0.000 0.955 133 D HN 0.172 nan 8.370 nan 0.000 0.465 134 V N 0.588 120.463 119.914 -0.065 0.000 2.358 134 V HA -0.186 3.845 4.120 -0.149 0.000 0.246 134 V C 2.500 178.524 176.094 -0.117 0.000 1.047 134 V CA 1.626 63.885 62.300 -0.068 0.000 1.035 134 V CB -0.844 30.962 31.823 -0.028 0.000 0.658 134 V HN 0.311 nan 8.190 nan 0.000 0.452 135 A N -0.328 122.387 122.820 -0.175 0.000 1.883 135 A HA -0.253 3.978 4.320 -0.149 0.000 0.217 135 A C 2.230 179.671 177.584 -0.238 0.000 1.186 135 A CA 2.164 54.078 52.037 -0.205 0.000 0.624 135 A CB -0.529 18.303 19.000 -0.281 0.000 0.822 135 A HN 0.389 nan 8.150 nan 0.000 0.444 136 M N -0.261 119.123 119.600 -0.360 0.000 2.080 136 M HA -0.154 4.237 4.480 -0.149 0.000 0.260 136 M C 2.079 178.286 176.300 -0.155 0.000 1.068 136 M CA 2.122 57.238 55.300 -0.306 0.000 1.109 136 M CB -1.188 31.199 32.600 -0.355 0.000 1.342 136 M HN 0.594 nan 8.290 nan 0.000 0.405 137 K N 0.158 120.481 120.400 -0.129 0.000 2.148 137 K HA -0.185 4.046 4.320 -0.149 0.000 0.204 137 K C 2.099 178.661 176.600 -0.064 0.000 1.050 137 K CA 1.315 57.558 56.287 -0.074 0.000 0.942 137 K CB -0.015 32.450 32.500 -0.057 0.000 0.724 137 K HN 0.231 nan 8.250 nan 0.000 0.446 138 K N 1.304 121.658 120.400 -0.078 0.000 2.097 138 K HA -0.101 4.130 4.320 -0.149 0.000 0.205 138 K C 1.816 178.383 176.600 -0.054 0.000 1.050 138 K CA 1.491 57.742 56.287 -0.060 0.000 0.938 138 K CB -0.125 32.338 32.500 -0.062 0.000 0.718 138 K HN 0.416 nan 8.250 nan 0.000 0.442 139 I N -3.150 117.379 120.570 -0.069 0.000 3.810 139 I HA 0.316 4.397 4.170 -0.149 0.000 0.322 139 I C 0.604 176.697 176.117 -0.039 0.000 1.288 139 I CA 0.348 61.617 61.300 -0.052 0.000 1.143 139 I CB 0.073 38.038 38.000 -0.058 0.000 1.012 139 I HN 0.241 nan 8.210 nan 0.000 0.423 140 G N 2.239 111.015 108.800 -0.039 0.000 2.198 140 G HA2 -0.247 3.623 3.960 -0.149 0.000 0.260 140 G HA3 -0.247 3.623 3.960 -0.149 0.000 0.260 140 G C -0.084 174.808 174.900 -0.013 0.000 1.025 140 G CA 0.270 45.356 45.100 -0.023 0.000 0.769 140 G HN 0.464 nan 8.290 nan 0.000 0.507 141 L N -0.277 120.933 121.223 -0.021 0.000 2.343 141 L HA 0.563 4.813 4.340 -0.149 0.000 0.275 141 L C 0.748 177.626 176.870 0.014 0.000 1.056 141 L CA -0.818 54.027 54.840 0.009 0.000 0.804 141 L CB 1.484 43.556 42.059 0.022 0.000 1.203 141 L HN 0.253 nan 8.230 nan 0.000 0.440 142 E N 1.043 121.275 120.200 0.054 0.000 2.313 142 E HA 0.304 4.564 4.350 -0.149 0.000 0.276 142 E C -0.774 175.865 176.600 0.065 0.000 1.031 142 E CA -0.336 56.099 56.400 0.058 0.000 0.857 142 E CB 1.121 30.876 29.700 0.091 0.000 1.040 142 E HN 0.642 nan 8.360 nan 0.000 0.408 143 T N 0.078 114.655 114.554 0.038 0.000 2.916 143 T HA 0.720 4.980 4.350 -0.149 0.000 0.292 143 T C -0.183 174.521 174.700 0.007 0.000 1.064 143 T CA -0.942 61.178 62.100 0.034 0.000 1.011 143 T CB 1.551 70.440 68.868 0.036 0.000 1.152 143 T HN 0.469 nan 8.240 nan 0.000 0.510 144 A N 1.456 124.261 122.820 -0.025 0.000 2.425 144 A HA 0.480 4.711 4.320 -0.149 0.000 0.242 144 A C 0.711 178.272 177.584 -0.040 0.000 1.077 144 A CA -0.558 51.440 52.037 -0.064 0.000 0.781 144 A CB -0.087 18.843 19.000 -0.117 0.000 1.020 144 A HN 0.879 nan 8.150 nan 0.000 0.494 145 R N 0.653 121.128 120.500 -0.043 0.000 2.502 145 R HA 0.229 4.480 4.340 -0.149 0.000 0.292 145 R C -0.031 176.247 176.300 -0.037 0.000 0.998 145 R CA 1.169 57.249 56.100 -0.033 0.000 1.056 145 R CB 0.015 30.294 30.300 -0.036 0.000 0.939 145 R HN 0.979 nan 8.270 nan 0.000 0.411 146 S N 1.306 116.990 115.700 -0.027 0.000 2.656 146 S HA 0.759 5.140 4.470 -0.149 0.000 0.273 146 S C -0.632 173.956 174.600 -0.021 0.000 1.168 146 S CA -0.790 57.396 58.200 -0.024 0.000 0.817 146 S CB 2.104 65.293 63.200 -0.018 0.000 1.146 146 S HN 0.630 nan 8.310 nan 0.000 0.475 147 G N 0.045 108.833 108.800 -0.020 0.000 2.682 147 G HA2 0.615 4.486 3.960 -0.149 0.000 0.300 147 G HA3 0.615 4.486 3.960 -0.149 0.000 0.300 147 G C -1.286 173.593 174.900 -0.036 0.000 1.391 147 G CA -0.667 44.419 45.100 -0.022 0.000 0.990 147 G HN 0.616 nan 8.290 nan 0.000 0.501 148 I N 1.056 121.591 120.570 -0.058 0.000 2.499 148 I HA 0.637 4.718 4.170 -0.149 0.000 0.296 148 I C 0.508 176.498 176.117 -0.211 0.000 0.992 148 I CA -0.450 60.773 61.300 -0.129 0.000 1.297 148 I CB 1.556 39.477 38.000 -0.131 0.000 1.410 148 I HN 0.621 nan 8.210 nan 0.000 0.507 149 A N 4.873 127.502 122.820 -0.319 0.000 2.475 149 A HA 0.643 4.873 4.320 -0.149 0.000 0.301 149 A C -0.603 176.692 177.584 -0.481 0.000 1.059 149 A CA -0.401 51.455 52.037 -0.302 0.000 0.710 149 A CB 1.014 19.963 19.000 -0.084 0.000 1.288 149 A HN 0.869 nan 8.150 nan 0.000 0.408 150 H N -0.193 118.892 119.070 0.025 0.000 3.360 150 H HA 0.249 4.715 4.556 -0.149 0.000 0.262 150 H C 0.301 175.640 175.328 0.019 0.000 1.149 150 H CA 0.811 56.869 56.048 0.018 0.000 1.181 150 H CB 1.168 30.940 29.762 0.016 0.000 1.564 150 H HN 0.756 nan 8.280 nan 0.000 0.565 151 T N -2.813 111.805 114.554 0.107 0.000 2.903 151 T HA 0.198 4.459 4.350 -0.149 0.000 0.299 151 T C 0.844 175.584 174.700 0.066 0.000 1.093 151 T CA -0.928 61.221 62.100 0.081 0.000 1.002 151 T CB 2.135 71.052 68.868 0.081 0.000 1.127 151 T HN -0.038 nan 8.240 nan 0.000 0.488 152 M N 1.008 120.647 119.600 0.066 0.000 2.159 152 M HA 0.015 4.406 4.480 -0.149 0.000 0.263 152 M C 2.104 178.471 176.300 0.112 0.000 1.063 152 M CA 1.877 57.229 55.300 0.087 0.000 1.110 152 M CB -0.797 31.854 32.600 0.084 0.000 1.374 152 M HN 0.898 nan 8.290 nan 0.000 0.411 153 E N -0.270 119.981 120.200 0.084 0.000 2.110 153 E HA -0.245 4.015 4.350 -0.149 0.000 0.193 153 E C 1.755 178.398 176.600 0.071 0.000 0.988 153 E CA 1.600 58.045 56.400 0.075 0.000 0.804 153 E CB -0.156 29.577 29.700 0.055 0.000 0.745 153 E HN 0.705 nan 8.360 nan 0.000 0.458 154 E N -0.073 120.167 120.200 0.068 0.000 2.106 154 E HA -0.138 4.123 4.350 -0.149 0.000 0.192 154 E C 1.999 178.639 176.600 0.067 0.000 0.984 154 E CA 0.749 57.181 56.400 0.052 0.000 0.806 154 E CB -0.065 29.658 29.700 0.039 0.000 0.750 154 E HN 0.343 nan 8.360 nan 0.000 0.458 155 A N 0.994 123.882 122.820 0.114 0.000 1.933 155 A HA -0.150 4.080 4.320 -0.149 0.000 0.218 155 A C 2.124 179.901 177.584 0.322 0.000 1.175 155 A CA 0.986 53.159 52.037 0.227 0.000 0.628 155 A CB -0.510 18.624 19.000 0.222 0.000 0.814 155 A HN 0.143 nan 8.150 nan 0.000 0.444 156 L N -0.963 120.393 121.223 0.221 0.000 2.141 156 L HA -0.138 4.113 4.340 -0.149 0.000 0.209 156 L C 3.015 179.838 176.870 -0.078 0.000 1.094 156 L CA 0.833 55.694 54.840 0.035 0.000 0.763 156 L CB -0.393 41.703 42.059 0.063 0.000 0.908 156 L HN 0.435 nan 8.230 nan 0.000 0.437 157 A N -0.439 122.371 122.820 -0.016 0.000 1.898 157 A HA -0.118 4.112 4.320 -0.149 0.000 0.216 157 A C 2.305 179.845 177.584 -0.073 0.000 1.181 157 A CA 1.533 53.543 52.037 -0.044 0.000 0.620 157 A CB -0.673 18.318 19.000 -0.014 0.000 0.819 157 A HN 0.170 nan 8.150 nan 0.000 0.442 158 V N -0.056 119.834 119.914 -0.039 0.000 2.358 158 V HA -0.222 3.809 4.120 -0.149 0.000 0.246 158 V C 3.057 179.071 176.094 -0.133 0.000 1.047 158 V CA 1.823 64.093 62.300 -0.050 0.000 1.035 158 V CB -1.273 30.554 31.823 0.007 0.000 0.658 158 V HN 0.598 nan 8.190 nan 0.000 0.452 159 A N 0.215 122.902 122.820 -0.222 0.000 1.940 159 A HA -0.176 4.055 4.320 -0.149 0.000 0.219 159 A C 2.421 179.674 177.584 -0.551 0.000 1.176 159 A CA 2.190 53.912 52.037 -0.526 0.000 0.631 159 A CB -0.806 17.518 19.000 -1.126 0.000 0.814 159 A HN 0.594 nan 8.150 nan 0.000 0.446 160 A N -0.180 122.406 122.820 -0.390 0.000 1.972 160 A HA -0.181 4.049 4.320 -0.149 0.000 0.219 160 A C 1.808 179.258 177.584 -0.224 0.000 1.169 160 A CA 2.214 54.076 52.037 -0.292 0.000 0.635 160 A CB -0.572 18.320 19.000 -0.179 0.000 0.810 160 A HN 0.634 nan 8.150 nan 0.000 0.446 161 D N -0.487 119.800 120.400 -0.187 0.000 2.120 161 D HA -0.107 4.444 4.640 -0.149 0.000 0.202 161 D C 1.803 178.021 176.300 -0.137 0.000 0.972 161 D CA 1.995 55.916 54.000 -0.132 0.000 0.837 161 D CB -0.092 40.652 40.800 -0.092 0.000 0.989 161 D HN 0.385 nan 8.370 nan 0.000 0.469 162 V N -2.677 117.137 119.914 -0.167 0.000 3.354 162 V HA 0.427 4.457 4.120 -0.149 0.000 0.258 162 V C 1.233 177.216 176.094 -0.186 0.000 1.159 162 V CA 0.584 62.797 62.300 -0.146 0.000 1.125 162 V CB -0.840 30.919 31.823 -0.106 0.000 0.774 162 V HN 0.379 nan 8.190 nan 0.000 0.464 163 G N 0.282 108.888 108.800 -0.323 0.000 2.888 163 G HA2 -0.223 3.647 3.960 -0.149 0.000 0.441 163 G HA3 -0.223 3.647 3.960 -0.149 0.000 0.441 163 G C -0.673 173.976 174.900 -0.419 0.000 1.461 163 G CA -0.042 44.806 45.100 -0.419 0.000 0.897 163 G HN 0.590 nan 8.290 nan 0.000 0.547 164 F N 1.323 121.250 119.950 -0.037 0.000 2.385 164 F HA 0.553 4.991 4.527 -0.148 0.000 0.336 164 F C -0.922 174.902 175.800 0.040 0.000 1.100 164 F CA -1.445 56.552 58.000 -0.004 0.000 1.116 164 F CB 1.559 40.573 39.000 0.024 0.000 1.166 164 F HN 0.436 nan 8.300 nan 0.000 0.511 165 P HA 0.390 nan 4.420 nan 0.000 0.278 165 P C -1.236 176.137 177.300 0.122 0.000 1.258 165 P CA -0.605 62.625 63.100 0.216 0.000 0.811 165 P CB 1.041 32.701 31.700 -0.066 0.000 1.063 166 C N -0.604 118.784 119.300 0.147 0.000 2.971 166 C HA 0.801 5.171 4.460 -0.149 0.000 0.310 166 C C -0.584 174.434 174.990 0.047 0.000 1.285 166 C CA -0.903 58.164 59.018 0.083 0.000 1.593 166 C CB 0.248 28.040 27.740 0.086 0.000 2.076 166 C HN 0.384 nan 8.230 nan 0.000 0.472 167 I N 1.515 122.093 120.570 0.013 0.000 2.412 167 I HA 0.566 4.646 4.170 -0.149 0.000 0.296 167 I C -0.155 175.960 176.117 -0.003 0.000 0.987 167 I CA -0.682 60.607 61.300 -0.018 0.000 1.180 167 I CB 1.401 39.373 38.000 -0.046 0.000 1.340 167 I HN 0.586 nan 8.210 nan 0.000 0.455 168 I N 6.492 127.044 120.570 -0.029 0.000 2.362 168 I HA 0.497 4.577 4.170 -0.149 0.000 0.289 168 I C -0.327 175.755 176.117 -0.058 0.000 0.994 168 I CA -0.607 60.661 61.300 -0.054 0.000 1.158 168 I CB 0.873 38.800 38.000 -0.122 0.000 1.315 168 I HN 0.394 nan 8.210 nan 0.000 0.451 169 R N 6.773 127.240 120.500 -0.054 0.000 2.451 169 R HA 0.476 4.726 4.340 -0.149 0.000 0.307 169 R C -2.763 173.507 176.300 -0.051 0.000 0.965 169 R CA -1.793 54.276 56.100 -0.052 0.000 0.865 169 R CB 1.722 31.988 30.300 -0.058 0.000 1.174 169 R HN 0.228 nan 8.270 nan 0.000 0.455 170 P HA 0.127 nan 4.420 nan 0.000 0.276 170 P C -0.431 176.863 177.300 -0.011 0.000 1.244 170 P CA -0.406 62.681 63.100 -0.022 0.000 0.801 170 P CB 0.951 32.644 31.700 -0.012 0.000 1.006 171 S N 0.858 116.580 115.700 0.036 0.000 2.580 171 S HA 0.328 4.708 4.470 -0.149 0.000 0.274 171 S C -0.051 174.649 174.600 0.167 0.000 1.329 171 S CA -0.048 58.189 58.200 0.063 0.000 1.036 171 S CB -0.855 62.446 63.200 0.169 0.000 0.919 171 S HN 0.436 nan 8.310 nan 0.000 0.515 172 F N 0.284 120.209 119.950 -0.041 0.000 3.080 172 F HA -0.227 4.210 4.527 -0.150 0.000 0.292 172 F C 0.802 176.572 175.800 -0.050 0.000 0.891 172 F CA 0.872 58.844 58.000 -0.045 0.000 1.086 172 F CB -1.910 37.066 39.000 -0.040 0.000 1.095 172 F HN 0.662 nan 8.300 nan 0.000 0.633 173 T N -1.817 112.749 114.554 0.020 0.000 2.843 173 T HA 0.865 5.125 4.350 -0.149 0.000 0.302 173 T C -0.331 174.344 174.700 -0.042 0.000 1.232 173 T CA -0.238 61.863 62.100 0.001 0.000 1.009 173 T CB 2.826 71.692 68.868 -0.003 0.000 1.254 173 T HN 0.542 nan 8.240 nan 0.000 0.504 174 M N -0.248 119.334 119.600 -0.030 0.000 2.843 174 M HA 0.866 5.256 4.480 -0.149 0.000 0.273 174 M C 0.904 177.187 176.300 -0.028 0.000 1.286 174 M CA 0.387 55.680 55.300 -0.011 0.000 0.807 174 M CB 0.333 32.929 32.600 -0.006 0.000 1.684 174 M HN 1.710 nan 8.290 nan 0.000 0.458 175 G N -0.799 107.993 108.800 -0.015 0.000 2.175 175 G HA2 0.151 4.022 3.960 -0.149 0.000 0.265 175 G HA3 0.151 4.022 3.960 -0.149 0.000 0.265 175 G C 1.247 175.875 174.900 -0.454 0.000 0.979 175 G CA 0.974 45.905 45.100 -0.280 0.000 0.663 175 G HN 2.612 nan 8.290 nan 0.000 0.533 176 G N -1.374 107.336 108.800 -0.151 0.000 2.179 176 G HA2 -0.059 3.812 3.960 -0.149 0.000 0.257 176 G HA3 -0.059 3.812 3.960 -0.149 0.000 0.257 176 G C 0.459 175.303 174.900 -0.093 0.000 1.010 176 G CA 0.875 45.943 45.100 -0.053 0.000 0.736 176 G HN 1.783 nan 8.290 nan 0.000 0.513 177 S N -0.107 115.533 115.700 -0.100 0.000 2.525 177 S HA 0.435 4.815 4.470 -0.149 0.000 0.285 177 S C 1.693 176.249 174.600 -0.073 0.000 1.283 177 S CA 1.166 59.308 58.200 -0.096 0.000 1.072 177 S CB 1.012 64.162 63.200 -0.083 0.000 0.867 177 S HN 2.097 nan 8.310 nan 0.000 0.492 178 G N 2.426 111.177 108.800 -0.082 0.000 2.184 178 G HA2 -0.184 3.687 3.960 -0.149 0.000 0.264 178 G HA3 -0.184 3.687 3.960 -0.149 0.000 0.264 178 G C 0.351 175.204 174.900 -0.078 0.000 0.975 178 G CA 0.035 45.090 45.100 -0.075 0.000 0.642 178 G HN 1.099 nan 8.290 nan 0.000 0.536 179 G N -1.520 107.237 108.800 -0.071 0.000 3.075 179 G HA2 1.031 4.902 3.960 -0.149 0.000 0.253 179 G HA3 1.031 4.902 3.960 -0.149 0.000 0.253 179 G C 0.262 175.123 174.900 -0.065 0.000 1.353 179 G CA 0.305 45.363 45.100 -0.070 0.000 1.051 179 G HN 1.762 nan 8.290 nan 0.000 0.553 180 G N -1.806 106.958 108.800 -0.060 0.000 2.327 180 G HA2 0.389 4.259 3.960 -0.149 0.000 0.291 180 G HA3 0.389 4.259 3.960 -0.149 0.000 0.291 180 G C -1.791 173.062 174.900 -0.078 0.000 1.290 180 G CA -0.822 44.245 45.100 -0.054 0.000 0.857 180 G HN 0.707 nan 8.290 nan 0.000 0.520 181 I N 1.267 121.766 120.570 -0.118 0.000 2.362 181 I HA 0.595 4.676 4.170 -0.149 0.000 0.289 181 I C 0.581 176.506 176.117 -0.320 0.000 0.994 181 I CA -0.749 60.415 61.300 -0.226 0.000 1.158 181 I CB 1.946 39.736 38.000 -0.351 0.000 1.315 181 I HN 0.745 nan 8.210 nan 0.000 0.451 182 A N 5.655 128.371 122.820 -0.173 0.000 2.252 182 A HA 0.433 4.664 4.320 -0.149 0.000 0.309 182 A C -0.339 177.099 177.584 -0.243 0.000 1.285 182 A CA -0.183 51.791 52.037 -0.104 0.000 0.900 182 A CB -0.022 19.164 19.000 0.310 0.000 1.157 182 A HN 0.728 nan 8.150 nan 0.000 0.536 183 Y N 1.588 121.807 120.300 -0.136 0.000 2.500 183 Y HA 0.104 4.564 4.550 -0.151 0.000 0.270 183 Y C 0.886 176.489 175.900 -0.496 0.000 1.134 183 Y CA 0.582 58.590 58.100 -0.154 0.000 1.293 183 Y CB 0.135 38.546 38.460 -0.082 0.000 1.063 183 Y HN 0.904 nan 8.280 nan 0.000 0.534 184 N N -2.451 115.794 118.700 -0.757 0.000 2.927 184 N HA 0.172 4.823 4.740 -0.149 0.000 0.248 184 N C 0.350 175.251 175.510 -1.015 0.000 1.443 184 N CA -0.979 51.463 53.050 -1.014 0.000 0.870 184 N CB 0.674 38.964 38.487 -0.328 0.000 1.444 184 N HN -0.201 nan 8.380 nan 0.000 0.519 185 R N 0.086 120.245 120.500 -0.569 0.000 2.096 185 R HA -0.125 4.126 4.340 -0.149 0.000 0.235 185 R C 1.137 177.476 176.300 0.065 0.000 1.127 185 R CA 1.751 57.820 56.100 -0.053 0.000 0.968 185 R CB -0.213 30.156 30.300 0.115 0.000 0.861 185 R HN 0.840 nan 8.270 nan 0.000 0.440 186 E N 0.396 120.590 120.200 -0.010 0.000 2.038 186 E HA -0.218 4.043 4.350 -0.149 0.000 0.195 186 E C 1.790 178.409 176.600 0.031 0.000 1.000 186 E CA 1.707 58.121 56.400 0.023 0.000 0.803 186 E CB 0.047 29.745 29.700 -0.003 0.000 0.750 186 E HN 0.459 nan 8.360 nan 0.000 0.448 187 E N -0.349 119.845 120.200 -0.009 0.000 2.110 187 E HA -0.198 4.062 4.350 -0.149 0.000 0.193 187 E C 1.908 178.520 176.600 0.019 0.000 0.988 187 E CA 0.943 57.337 56.400 -0.009 0.000 0.804 187 E CB -0.225 29.452 29.700 -0.038 0.000 0.745 187 E HN 0.276 nan 8.360 nan 0.000 0.458 188 F N 2.234 122.124 119.950 -0.101 0.000 2.102 188 F HA -0.191 4.247 4.527 -0.149 0.000 0.298 188 F C 2.133 177.944 175.800 0.017 0.000 1.105 188 F CA 1.601 59.597 58.000 -0.006 0.000 1.239 188 F CB 0.065 39.119 39.000 0.091 0.000 0.991 188 F HN -0.086 nan 8.300 nan 0.000 0.474 189 E N -0.136 120.163 120.200 0.165 0.000 2.110 189 E HA -0.277 3.983 4.350 -0.149 0.000 0.193 189 E C 2.191 178.762 176.600 -0.047 0.000 0.988 189 E CA 1.355 57.794 56.400 0.065 0.000 0.804 189 E CB -0.367 29.416 29.700 0.139 0.000 0.745 189 E HN 0.613 nan 8.360 nan 0.000 0.458 190 E N 0.979 121.157 120.200 -0.037 0.000 2.031 190 E HA -0.203 4.057 4.350 -0.149 0.000 0.193 190 E C 2.149 178.688 176.600 -0.101 0.000 0.994 190 E CA 0.972 57.341 56.400 -0.052 0.000 0.800 190 E CB -0.059 29.623 29.700 -0.030 0.000 0.752 190 E HN 0.210 nan 8.360 nan 0.000 0.447 191 I N 0.675 121.159 120.570 -0.143 0.000 2.202 191 I HA -0.316 3.765 4.170 -0.149 0.000 0.242 191 I C 2.738 178.718 176.117 -0.229 0.000 1.091 191 I CA 0.737 61.931 61.300 -0.176 0.000 1.368 191 I CB -0.310 37.573 38.000 -0.197 0.000 1.058 191 I HN 0.316 nan 8.210 nan 0.000 0.410 192 C N 0.770 119.854 119.300 -0.360 0.000 2.413 192 C HA -0.178 4.192 4.460 -0.149 0.000 0.276 192 C C 3.203 178.091 174.990 -0.170 0.000 1.248 192 C CA 1.053 59.867 59.018 -0.340 0.000 1.742 192 C CB -1.239 26.199 27.740 -0.504 0.000 2.017 192 C HN 0.609 nan 8.230 nan 0.000 0.481 193 A N 0.224 122.970 122.820 -0.124 0.000 1.873 193 A HA -0.203 4.027 4.320 -0.149 0.000 0.215 193 A C 2.228 179.766 177.584 -0.077 0.000 1.186 193 A CA 1.805 53.800 52.037 -0.070 0.000 0.616 193 A CB -0.626 18.346 19.000 -0.046 0.000 0.823 193 A HN 0.645 nan 8.150 nan 0.000 0.442 194 R N -0.584 119.860 120.500 -0.095 0.000 2.083 194 R HA -0.115 4.136 4.340 -0.149 0.000 0.237 194 R C 2.280 178.533 176.300 -0.077 0.000 1.137 194 R CA 1.768 57.813 56.100 -0.092 0.000 0.951 194 R CB -0.784 29.459 30.300 -0.094 0.000 0.851 194 R HN 0.448 nan 8.270 nan 0.000 0.434 195 G N 0.936 109.683 108.800 -0.088 0.000 2.446 195 G HA2 -0.258 3.612 3.960 -0.149 0.000 0.217 195 G HA3 -0.258 3.612 3.960 -0.149 0.000 0.217 195 G C 1.467 176.339 174.900 -0.047 0.000 1.168 195 G CA 0.801 45.856 45.100 -0.075 0.000 0.771 195 G HN 0.268 nan 8.290 nan 0.000 0.551 196 L N 0.000 121.196 121.223 -0.046 0.000 2.131 196 L HA -0.059 4.192 4.340 -0.149 0.000 0.210 196 L C 2.469 179.339 176.870 0.000 0.000 1.092 196 L CA 1.529 56.361 54.840 -0.012 0.000 0.759 196 L CB -0.217 41.839 42.059 -0.005 0.000 0.903 196 L HN 0.262 nan 8.230 nan 0.000 0.435 197 D N -0.708 119.684 120.400 -0.013 0.000 2.213 197 D HA -0.153 4.398 4.640 -0.149 0.000 0.205 197 D C 2.009 178.305 176.300 -0.007 0.000 0.961 197 D CA 0.333 54.330 54.000 -0.006 0.000 0.853 197 D CB 0.317 41.108 40.800 -0.015 0.000 0.967 197 D HN 0.045 nan 8.370 nan 0.000 0.496 198 L N 0.246 121.458 121.223 -0.018 0.000 2.109 198 L HA 0.140 4.391 4.340 -0.149 0.000 0.207 198 L C 0.765 177.635 176.870 -0.001 0.000 1.086 198 L CA 0.773 55.603 54.840 -0.016 0.000 0.760 198 L CB -0.687 41.353 42.059 -0.031 0.000 0.910 198 L HN -0.110 nan 8.230 nan 0.000 0.437 199 S N 0.251 115.956 115.700 0.009 0.000 2.546 199 S HA 0.035 4.415 4.470 -0.149 0.000 0.290 199 S C -1.371 173.245 174.600 0.027 0.000 1.262 199 S CA -0.874 57.349 58.200 0.038 0.000 1.083 199 S CB 0.398 63.629 63.200 0.052 0.000 0.859 199 S HN 0.122 nan 8.310 nan 0.000 0.495 200 P HA -0.078 nan 4.420 nan 0.000 0.217 200 P C 1.129 178.366 177.300 -0.105 0.000 1.148 200 P CA 1.334 64.391 63.100 -0.072 0.000 0.828 200 P CB -0.084 31.522 31.700 -0.157 0.000 0.783 201 T N -5.064 109.468 114.554 -0.037 0.000 3.186 201 T HA 0.205 4.466 4.350 -0.149 0.000 0.257 201 T C 0.630 175.357 174.700 0.045 0.000 1.029 201 T CA -0.563 61.522 62.100 -0.025 0.000 0.916 201 T CB -0.689 68.189 68.868 0.017 0.000 1.041 201 T HN -0.030 nan 8.240 nan 0.000 0.562 202 K N 0.989 121.420 120.400 0.051 0.000 3.278 202 K HA -0.206 4.025 4.320 -0.149 0.000 0.270 202 K C -0.502 176.212 176.600 0.190 0.000 0.955 202 K CA 0.762 57.097 56.287 0.081 0.000 0.723 202 K CB -1.053 31.479 32.500 0.053 0.000 1.382 202 K HN 0.863 nan 8.250 nan 0.000 0.461 203 E N 0.882 121.180 120.200 0.163 0.000 2.331 203 E HA 0.485 4.745 4.350 -0.149 0.000 0.275 203 E C -1.179 175.433 176.600 0.020 0.000 0.895 203 E CA -0.863 55.629 56.400 0.153 0.000 0.753 203 E CB 1.211 31.073 29.700 0.270 0.000 1.216 203 E HN 0.228 nan 8.360 nan 0.000 0.434 204 L N 2.898 124.076 121.223 -0.075 0.000 2.333 204 L HA 0.611 4.861 4.340 -0.149 0.000 0.263 204 L C -1.086 175.730 176.870 -0.090 0.000 1.014 204 L CA -1.242 53.554 54.840 -0.074 0.000 0.820 204 L CB 1.847 43.856 42.059 -0.083 0.000 1.352 204 L HN 0.479 nan 8.230 nan 0.000 0.421 205 L N 2.257 123.446 121.223 -0.058 0.000 2.356 205 L HA 0.632 4.882 4.340 -0.149 0.000 0.277 205 L C -1.146 175.707 176.870 -0.028 0.000 0.996 205 L CA -0.001 54.814 54.840 -0.042 0.000 0.822 205 L CB 1.536 43.577 42.059 -0.031 0.000 1.256 205 L HN 0.359 nan 8.230 nan 0.000 0.413 206 I N 4.264 124.830 120.570 -0.007 0.000 2.389 206 I HA 0.438 4.518 4.170 -0.149 0.000 0.288 206 I C -0.972 175.149 176.117 0.007 0.000 0.999 206 I CA -0.265 61.053 61.300 0.029 0.000 1.129 206 I CB 1.618 39.684 38.000 0.110 0.000 1.288 206 I HN 0.586 nan 8.210 nan 0.000 0.444 207 D N 4.292 124.689 120.400 -0.005 0.000 2.340 207 D HA 0.326 4.876 4.640 -0.149 0.000 0.240 207 D C -0.588 175.685 176.300 -0.045 0.000 1.001 207 D CA -0.828 53.151 54.000 -0.034 0.000 0.888 207 D CB 1.091 41.859 40.800 -0.053 0.000 1.310 207 D HN 0.560 nan 8.370 nan 0.000 0.474 208 E N -0.097 120.063 120.200 -0.065 0.000 2.404 208 E HA 0.175 4.435 4.350 -0.149 0.000 0.261 208 E C -0.291 176.250 176.600 -0.097 0.000 1.074 208 E CA -0.600 55.755 56.400 -0.074 0.000 0.917 208 E CB 0.856 30.510 29.700 -0.075 0.000 0.965 208 E HN 0.214 nan 8.360 nan 0.000 0.433 209 S N 2.084 117.737 115.700 -0.080 0.000 2.549 209 S HA 0.110 4.491 4.470 -0.149 0.000 0.279 209 S C 0.361 174.845 174.600 -0.194 0.000 1.321 209 S CA -0.515 57.627 58.200 -0.096 0.000 1.054 209 S CB 0.066 63.251 63.200 -0.026 0.000 0.899 209 S HN 0.571 nan 8.310 nan 0.000 0.497 210 L N 4.978 126.034 121.223 -0.278 0.000 3.229 210 L HA 0.393 4.644 4.340 -0.149 0.000 0.286 210 L C -0.161 176.523 176.870 -0.310 0.000 1.239 210 L CA -0.291 54.202 54.840 -0.579 0.000 1.035 210 L CB 0.101 41.646 42.059 -0.857 0.000 1.408 210 L HN 0.616 nan 8.230 nan 0.000 0.593 211 I N 1.239 121.750 120.570 -0.099 0.000 2.826 211 I HA -0.032 4.048 4.170 -0.149 0.000 0.295 211 I C 1.539 177.716 176.117 0.101 0.000 1.213 211 I CA 1.487 62.797 61.300 0.015 0.000 1.436 211 I CB 0.373 38.404 38.000 0.052 0.000 1.348 211 I HN 0.466 nan 8.210 nan 0.000 0.570 212 G N 4.275 113.149 108.800 0.123 0.000 2.213 212 G HA2 -0.224 3.646 3.960 -0.149 0.000 0.236 212 G HA3 -0.224 3.646 3.960 -0.149 0.000 0.236 212 G C -0.124 174.961 174.900 0.308 0.000 0.991 212 G CA -0.568 44.627 45.100 0.158 0.000 0.629 212 G HN 0.508 nan 8.290 nan 0.000 0.517 213 W N 1.783 123.112 121.300 0.048 0.000 2.086 213 W HA 0.652 5.222 4.660 -0.150 0.000 0.355 213 W C 1.110 177.670 176.519 0.069 0.000 1.313 213 W CA -0.821 56.570 57.345 0.076 0.000 1.358 213 W CB 0.370 29.881 29.460 0.086 0.000 1.166 213 W HN 0.035 nan 8.180 nan 0.000 0.630 214 K N 1.241 121.828 120.400 0.313 0.000 2.319 214 K HA 0.110 4.340 4.320 -0.149 0.000 0.265 214 K C -0.340 176.353 176.600 0.156 0.000 1.000 214 K CA -0.184 56.200 56.287 0.162 0.000 0.943 214 K CB 0.635 33.212 32.500 0.128 0.000 0.950 214 K HN 0.366 nan 8.250 nan 0.000 0.485 215 E N 2.081 122.247 120.200 -0.057 0.000 2.199 215 E HA 0.266 4.527 4.350 -0.149 0.000 0.265 215 E C -1.660 174.856 176.600 -0.140 0.000 0.882 215 E CA -0.537 55.865 56.400 0.004 0.000 0.759 215 E CB 0.751 30.456 29.700 0.009 0.000 1.148 215 E HN 0.366 nan 8.360 nan 0.000 0.412 216 Y N 1.513 121.923 120.300 0.183 0.000 2.576 216 Y HA 0.422 4.883 4.550 -0.148 0.000 0.346 216 Y C -0.446 175.591 175.900 0.230 0.000 1.018 216 Y CA -0.799 57.413 58.100 0.185 0.000 1.050 216 Y CB 2.322 40.880 38.460 0.163 0.000 1.280 216 Y HN 0.443 nan 8.280 nan 0.000 0.474 217 E N 2.132 122.550 120.200 0.363 0.000 2.340 217 E HA 0.637 4.897 4.350 -0.149 0.000 0.273 217 E C -1.526 175.212 176.600 0.230 0.000 0.891 217 E CA -0.975 55.578 56.400 0.256 0.000 0.757 217 E CB 3.096 32.869 29.700 0.121 0.000 1.231 217 E HN 0.464 nan 8.360 nan 0.000 0.439 218 M N 1.791 121.516 119.600 0.208 0.000 2.259 218 M HA 0.264 4.655 4.480 -0.149 0.000 0.304 218 M C -1.002 175.340 176.300 0.071 0.000 1.019 218 M CA -0.822 54.555 55.300 0.128 0.000 0.922 218 M CB 2.116 34.783 32.600 0.112 0.000 1.600 218 M HN 0.314 nan 8.290 nan 0.000 0.433 219 E N 3.323 123.540 120.200 0.028 0.000 2.130 219 E HA 0.401 4.662 4.350 -0.149 0.000 0.284 219 E C -0.913 175.661 176.600 -0.044 0.000 1.018 219 E CA -0.174 56.223 56.400 -0.005 0.000 0.817 219 E CB 1.324 31.014 29.700 -0.017 0.000 1.078 219 E HN 0.355 nan 8.360 nan 0.000 0.396 220 V N 2.490 122.387 119.914 -0.028 0.000 2.881 220 V HA 0.548 4.578 4.120 -0.149 0.000 0.316 220 V C 0.100 176.168 176.094 -0.043 0.000 1.070 220 V CA -0.917 61.358 62.300 -0.042 0.000 0.976 220 V CB 2.272 34.092 31.823 -0.004 0.000 1.038 220 V HN 0.333 nan 8.190 nan 0.000 0.446 221 V N 2.554 122.439 119.914 -0.049 0.000 2.760 221 V HA 0.656 4.686 4.120 -0.149 0.000 0.309 221 V C -0.432 175.671 176.094 0.015 0.000 1.077 221 V CA -0.708 61.585 62.300 -0.012 0.000 0.910 221 V CB 2.000 33.815 31.823 -0.014 0.000 1.008 221 V HN 0.918 nan 8.190 nan 0.000 0.424 222 R N 2.338 122.860 120.500 0.037 0.000 2.673 222 R HA 0.647 4.897 4.340 -0.149 0.000 0.281 222 R C -1.636 174.697 176.300 0.055 0.000 0.991 222 R CA -0.468 55.657 56.100 0.041 0.000 0.896 222 R CB 2.216 32.535 30.300 0.032 0.000 1.201 222 R HN 0.960 nan 8.270 nan 0.000 0.457 223 D N 1.594 122.029 120.400 0.058 0.000 2.506 223 D HA 0.140 4.691 4.640 -0.149 0.000 0.254 223 D C 0.415 176.746 176.300 0.051 0.000 1.089 223 D CA -0.772 53.267 54.000 0.065 0.000 1.050 223 D CB 1.030 41.881 40.800 0.085 0.000 1.221 223 D HN 0.596 nan 8.370 nan 0.000 0.589 224 K N -0.491 119.940 120.400 0.052 0.000 2.283 224 K HA -0.049 4.181 4.320 -0.149 0.000 0.202 224 K C 0.637 177.259 176.600 0.035 0.000 1.048 224 K CA 0.842 57.152 56.287 0.038 0.000 0.948 224 K CB -0.286 32.233 32.500 0.032 0.000 0.742 224 K HN 0.101 nan 8.250 nan 0.000 0.458 225 N N 1.056 119.782 118.700 0.043 0.000 2.461 225 N HA -0.067 4.583 4.740 -0.149 0.000 0.188 225 N C -0.465 175.067 175.510 0.036 0.000 1.134 225 N CA 0.800 53.873 53.050 0.039 0.000 0.878 225 N CB 0.089 38.604 38.487 0.046 0.000 0.972 225 N HN 0.331 nan 8.380 nan 0.000 0.456 226 D N -0.840 119.582 120.400 0.036 0.000 3.059 226 D HA -0.154 4.397 4.640 -0.149 0.000 0.208 226 D C -0.921 175.400 176.300 0.036 0.000 1.079 226 D CA 0.329 54.349 54.000 0.032 0.000 0.986 226 D CB -1.518 39.297 40.800 0.025 0.000 1.090 226 D HN 0.177 nan 8.370 nan 0.000 0.428 227 N N 0.381 119.108 118.700 0.046 0.000 2.518 227 N HA 0.314 4.965 4.740 -0.149 0.000 0.266 227 N C -0.129 175.408 175.510 0.045 0.000 1.196 227 N CA 0.249 53.329 53.050 0.050 0.000 0.947 227 N CB 1.334 39.861 38.487 0.066 0.000 1.098 227 N HN 0.320 nan 8.380 nan 0.000 0.450 228 C N 3.403 122.725 119.300 0.037 0.000 2.701 228 C HA 0.698 5.068 4.460 -0.149 0.000 0.336 228 C C -0.704 174.291 174.990 0.009 0.000 1.123 228 C CA -0.701 58.331 59.018 0.023 0.000 1.326 228 C CB -0.414 27.337 27.740 0.018 0.000 1.833 228 C HN 0.728 nan 8.230 nan 0.000 0.473 229 I N 3.125 123.683 120.570 -0.020 0.000 3.074 229 I HA 0.688 4.768 4.170 -0.149 0.000 0.310 229 I C -1.260 174.795 176.117 -0.103 0.000 1.153 229 I CA -0.962 60.301 61.300 -0.062 0.000 0.993 229 I CB 1.844 39.776 38.000 -0.113 0.000 1.237 229 I HN 0.258 nan 8.210 nan 0.000 0.443 230 I N 4.002 124.508 120.570 -0.107 0.000 2.307 230 I HA 0.199 4.279 4.170 -0.149 0.000 0.289 230 I C 1.060 177.053 176.117 -0.207 0.000 1.021 230 I CA -0.493 60.744 61.300 -0.105 0.000 1.224 230 I CB 1.294 39.281 38.000 -0.022 0.000 1.376 230 I HN 0.543 nan 8.210 nan 0.000 0.470 231 V N 4.999 124.730 119.914 -0.304 0.000 2.453 231 V HA -0.096 3.934 4.120 -0.149 0.000 0.247 231 V C 0.804 176.758 176.094 -0.233 0.000 1.048 231 V CA 1.230 63.247 62.300 -0.472 0.000 1.049 231 V CB 0.213 31.649 31.823 -0.646 0.000 0.672 231 V HN 0.883 nan 8.190 nan 0.000 0.457 232 C N -0.675 118.558 119.300 -0.112 0.000 3.284 232 C HA 0.608 4.979 4.460 -0.149 0.000 0.338 232 C C -0.367 174.648 174.990 0.042 0.000 1.237 232 C CA -0.368 58.638 59.018 -0.021 0.000 1.276 232 C CB 1.450 29.186 27.740 -0.007 0.000 1.601 232 C HN 0.486 nan 8.230 nan 0.000 0.494 233 S N 3.050 118.806 115.700 0.093 0.000 2.536 233 S HA 0.910 5.290 4.470 -0.149 0.000 0.298 233 S C -1.147 173.548 174.600 0.157 0.000 1.083 233 S CA -0.541 57.747 58.200 0.148 0.000 0.995 233 S CB 1.350 64.692 63.200 0.238 0.000 1.058 233 S HN 0.708 nan 8.310 nan 0.000 0.488 234 I N 1.205 121.893 120.570 0.197 0.000 2.619 234 I HA 0.435 4.516 4.170 -0.149 0.000 0.292 234 I C -0.632 175.618 176.117 0.223 0.000 1.100 234 I CA -0.389 61.016 61.300 0.175 0.000 1.043 234 I CB 2.342 40.415 38.000 0.122 0.000 1.239 234 I HN 0.841 nan 8.210 nan 0.000 0.420 235 E N 5.973 126.273 120.200 0.167 0.000 2.151 235 E HA 0.334 4.594 4.350 -0.149 0.000 0.275 235 E C -0.903 175.692 176.600 -0.009 0.000 0.936 235 E CA -0.601 55.804 56.400 0.009 0.000 0.777 235 E CB 1.066 30.827 29.700 0.103 0.000 1.108 235 E HN 0.526 nan 8.360 nan 0.000 0.401 236 N N 4.254 122.883 118.700 -0.118 0.000 2.520 236 N HA 0.046 4.696 4.740 -0.149 0.000 0.273 236 N C 0.281 175.781 175.510 -0.016 0.000 1.155 236 N CA -0.093 52.939 53.050 -0.030 0.000 0.967 236 N CB 0.660 39.125 38.487 -0.036 0.000 1.092 236 N HN 0.553 nan 8.380 nan 0.000 0.457 237 F N 2.399 122.208 119.950 -0.234 0.000 2.084 237 F HA -0.038 4.399 4.527 -0.149 0.000 0.296 237 F C 0.607 176.295 175.800 -0.187 0.000 1.111 237 F CA 0.899 58.615 58.000 -0.473 0.000 1.224 237 F CB 0.245 38.906 39.000 -0.564 0.000 0.991 237 F HN 0.392 nan 8.300 nan 0.000 0.471 238 D N 1.677 122.165 120.400 0.146 0.000 2.351 238 D HA 0.279 4.830 4.640 -0.149 0.000 0.251 238 D C 0.360 176.674 176.300 0.024 0.000 1.137 238 D CA 0.415 54.468 54.000 0.089 0.000 0.879 238 D CB 1.369 42.275 40.800 0.178 0.000 1.181 238 D HN 0.331 nan 8.370 nan 0.000 0.448 239 A N 3.194 126.018 122.820 0.007 0.000 2.251 239 A HA 0.259 4.489 4.320 -0.149 0.000 0.278 239 A C 0.770 178.382 177.584 0.046 0.000 1.206 239 A CA -0.504 51.551 52.037 0.030 0.000 0.822 239 A CB 0.250 19.271 19.000 0.035 0.000 1.187 239 A HN 0.529 nan 8.150 nan 0.000 0.504 240 M N -0.234 119.407 119.600 0.069 0.000 2.250 240 M HA 0.233 4.623 4.480 -0.149 0.000 0.337 240 M C 1.407 177.727 176.300 0.033 0.000 1.161 240 M CA 1.979 57.307 55.300 0.046 0.000 1.088 240 M CB -0.328 32.303 32.600 0.053 0.000 1.639 240 M HN 1.470 nan 8.290 nan 0.000 0.447 241 G N 3.314 112.125 108.800 0.018 0.000 2.278 241 G HA2 -0.166 3.705 3.960 -0.149 0.000 0.210 241 G HA3 -0.166 3.705 3.960 -0.149 0.000 0.210 241 G C 0.044 174.980 174.900 0.061 0.000 1.000 241 G CA -0.539 44.581 45.100 0.032 0.000 0.635 241 G HN 0.568 nan 8.290 nan 0.000 0.495 242 I N 1.987 122.599 120.570 0.070 0.000 2.433 242 I HA 0.353 4.433 4.170 -0.149 0.000 0.292 242 I C 0.642 176.829 176.117 0.117 0.000 1.001 242 I CA -1.110 60.258 61.300 0.114 0.000 1.119 242 I CB 1.501 39.578 38.000 0.127 0.000 1.289 242 I HN 0.125 nan 8.210 nan 0.000 0.438 243 H N 4.615 123.729 119.070 0.073 0.000 3.038 243 H HA -0.058 4.409 4.556 -0.148 0.000 0.338 243 H C 1.075 176.439 175.328 0.060 0.000 1.041 243 H CA 1.194 57.275 56.048 0.054 0.000 1.394 243 H CB 1.317 31.109 29.762 0.049 0.000 1.357 243 H HN 0.859 nan 8.280 nan 0.000 0.600 244 T N 0.622 115.015 114.554 -0.268 0.000 2.759 244 T HA -0.138 4.122 4.350 -0.149 0.000 0.269 244 T C 2.107 176.890 174.700 0.138 0.000 1.042 244 T CA 1.094 63.159 62.100 -0.057 0.000 1.140 244 T CB -0.623 68.165 68.868 -0.134 0.000 0.864 244 T HN 0.630 nan 8.240 nan 0.000 0.455 245 G N 0.650 109.693 108.800 0.405 0.000 2.534 245 G HA2 -0.019 3.851 3.960 -0.149 0.000 0.217 245 G HA3 -0.019 3.851 3.960 -0.149 0.000 0.217 245 G C 0.964 175.952 174.900 0.147 0.000 1.128 245 G CA 0.526 45.771 45.100 0.241 0.000 0.784 245 G HN 0.477 nan 8.290 nan 0.000 0.542 246 D N -0.300 120.242 120.400 0.237 0.000 2.395 246 D HA 0.221 4.771 4.640 -0.149 0.000 0.213 246 D C 0.527 177.002 176.300 0.290 0.000 1.110 246 D CA -0.002 54.164 54.000 0.276 0.000 0.835 246 D CB 0.709 41.751 40.800 0.405 0.000 0.965 246 D HN 0.066 nan 8.370 nan 0.000 0.505 247 S N 0.009 115.821 115.700 0.187 0.000 2.617 247 S HA 0.436 4.817 4.470 -0.149 0.000 0.283 247 S C 0.485 175.143 174.600 0.097 0.000 1.189 247 S CA -0.652 57.640 58.200 0.154 0.000 1.036 247 S CB 1.748 65.016 63.200 0.113 0.000 1.014 247 S HN 0.060 nan 8.310 nan 0.000 0.522 248 I N 2.844 123.459 120.570 0.075 0.000 2.529 248 I HA 0.222 4.303 4.170 -0.149 0.000 0.284 248 I C 0.712 176.830 176.117 0.003 0.000 1.082 248 I CA 0.151 61.424 61.300 -0.045 0.000 1.406 248 I CB 0.804 38.636 38.000 -0.279 0.000 1.405 248 I HN 0.704 nan 8.210 nan 0.000 0.548 249 T N 3.761 118.308 114.554 -0.011 0.000 2.896 249 T HA 0.754 5.014 4.350 -0.149 0.000 0.297 249 T C -0.602 174.121 174.700 0.038 0.000 1.108 249 T CA -0.744 61.371 62.100 0.025 0.000 1.004 249 T CB 1.966 70.856 68.868 0.037 0.000 1.159 249 T HN 0.454 nan 8.240 nan 0.000 0.499 250 V N -1.580 118.390 119.914 0.092 0.000 3.007 250 V HA 1.027 5.057 4.120 -0.149 0.000 0.311 250 V C -0.569 175.606 176.094 0.135 0.000 1.120 250 V CA -1.137 61.242 62.300 0.132 0.000 0.980 250 V CB 1.245 33.212 31.823 0.240 0.000 1.033 250 V HN 1.598 nan 8.190 nan 0.000 0.429 251 A N 3.988 126.878 122.820 0.116 0.000 2.365 251 A HA 1.057 5.288 4.320 -0.149 0.000 0.318 251 A C -2.816 174.815 177.584 0.078 0.000 1.091 251 A CA -1.855 50.240 52.037 0.097 0.000 0.763 251 A CB 1.774 20.819 19.000 0.075 0.000 1.248 251 A HN 0.785 nan 8.150 nan 0.000 0.442 252 P HA 0.484 nan 4.420 nan 0.000 0.312 252 P C 0.132 177.487 177.300 0.091 0.000 1.308 252 P CA -0.238 62.892 63.100 0.050 0.000 0.743 252 P CB 0.463 32.153 31.700 -0.016 0.000 1.364 253 A N -0.019 122.884 122.820 0.139 0.000 2.466 253 A HA 0.117 4.348 4.320 -0.149 0.000 0.238 253 A C 1.044 178.647 177.584 0.031 0.000 1.074 253 A CA 0.280 52.445 52.037 0.213 0.000 0.774 253 A CB -0.319 18.853 19.000 0.286 0.000 1.015 253 A HN 0.483 nan 8.150 nan 0.000 0.498 254 Q N -0.240 119.529 119.800 -0.051 0.000 2.471 254 Q HA 0.015 4.265 4.340 -0.149 0.000 0.259 254 Q C 1.258 176.971 176.000 -0.478 0.000 0.850 254 Q CA 1.473 57.026 55.803 -0.417 0.000 0.981 254 Q CB -0.036 28.143 28.738 -0.931 0.000 1.180 254 Q HN 0.981 nan 8.270 nan 0.000 0.571 255 T N -1.344 113.042 114.554 -0.280 0.000 3.251 255 T HA 0.474 4.734 4.350 -0.149 0.000 0.259 255 T C 0.400 175.057 174.700 -0.071 0.000 0.998 255 T CA -0.130 61.841 62.100 -0.216 0.000 0.905 255 T CB -0.414 68.365 68.868 -0.148 0.000 1.067 255 T HN -0.092 nan 8.240 nan 0.000 0.569 256 L N 2.755 123.935 121.223 -0.072 0.000 2.307 256 L HA 0.487 4.737 4.340 -0.149 0.000 0.284 256 L C 0.828 177.648 176.870 -0.083 0.000 1.023 256 L CA -1.045 53.742 54.840 -0.088 0.000 0.810 256 L CB 1.915 43.883 42.059 -0.151 0.000 1.231 256 L HN 0.340 nan 8.230 nan 0.000 0.423 257 T N -2.382 112.126 114.554 -0.076 0.000 2.802 257 T HA -0.019 4.241 4.350 -0.149 0.000 0.305 257 T C 0.758 175.430 174.700 -0.046 0.000 1.053 257 T CA -0.450 61.610 62.100 -0.067 0.000 1.058 257 T CB 1.131 69.964 68.868 -0.059 0.000 0.988 257 T HN 0.685 nan 8.240 nan 0.000 0.539 258 D N 0.241 120.609 120.400 -0.053 0.000 2.149 258 D HA -0.123 4.427 4.640 -0.149 0.000 0.198 258 D C 1.993 178.302 176.300 0.015 0.000 0.990 258 D CA 1.372 55.353 54.000 -0.032 0.000 0.839 258 D CB -0.072 40.690 40.800 -0.063 0.000 0.948 258 D HN 0.634 nan 8.370 nan 0.000 0.460 259 K N -0.089 120.300 120.400 -0.018 0.000 2.063 259 K HA -0.176 4.054 4.320 -0.149 0.000 0.208 259 K C 2.127 178.700 176.600 -0.044 0.000 1.048 259 K CA 1.472 57.743 56.287 -0.026 0.000 0.928 259 K CB -0.066 32.412 32.500 -0.036 0.000 0.713 259 K HN 0.356 nan 8.250 nan 0.000 0.442 260 E N -0.392 119.771 120.200 -0.062 0.000 2.107 260 E HA -0.195 4.066 4.350 -0.149 0.000 0.191 260 E C 1.837 178.335 176.600 -0.170 0.000 0.982 260 E CA 0.870 57.197 56.400 -0.122 0.000 0.809 260 E CB -0.183 29.431 29.700 -0.142 0.000 0.756 260 E HN 0.311 nan 8.360 nan 0.000 0.459 261 Y N 2.264 122.434 120.300 -0.217 0.000 2.097 261 Y HA -0.303 4.157 4.550 -0.150 0.000 0.282 261 Y C 2.354 178.138 175.900 -0.194 0.000 1.152 261 Y CA 1.804 59.766 58.100 -0.230 0.000 1.136 261 Y CB 0.043 38.398 38.460 -0.175 0.000 0.975 261 Y HN -0.050 nan 8.280 nan 0.000 0.498 262 Q N 0.270 120.086 119.800 0.025 0.000 2.124 262 Q HA -0.171 4.079 4.340 -0.149 0.000 0.202 262 Q C 2.487 178.403 176.000 -0.141 0.000 0.977 262 Q CA 1.889 57.677 55.803 -0.025 0.000 0.850 262 Q CB -0.554 28.201 28.738 0.027 0.000 0.901 262 Q HN 0.640 nan 8.270 nan 0.000 0.429 263 I N 0.242 120.719 120.570 -0.155 0.000 2.286 263 I HA -0.262 3.818 4.170 -0.149 0.000 0.248 263 I C 2.493 178.455 176.117 -0.257 0.000 1.115 263 I CA 0.922 62.124 61.300 -0.163 0.000 1.392 263 I CB -0.207 37.707 38.000 -0.144 0.000 1.065 263 I HN 0.223 nan 8.210 nan 0.000 0.418 264 M N 0.471 119.820 119.600 -0.418 0.000 2.099 264 M HA -0.250 4.141 4.480 -0.149 0.000 0.262 264 M C 2.525 178.518 176.300 -0.512 0.000 1.067 264 M CA 1.714 56.622 55.300 -0.652 0.000 1.124 264 M CB -0.178 31.887 32.600 -0.892 0.000 1.353 264 M HN 0.061 nan 8.290 nan 0.000 0.410 265 R N 0.314 120.511 120.500 -0.504 0.000 2.080 265 R HA -0.192 4.059 4.340 -0.149 0.000 0.236 265 R C 1.639 177.849 176.300 -0.151 0.000 1.137 265 R CA 2.629 58.530 56.100 -0.332 0.000 0.943 265 R CB -0.513 29.631 30.300 -0.259 0.000 0.846 265 R HN 0.578 nan 8.270 nan 0.000 0.431 266 N N -0.112 118.513 118.700 -0.126 0.000 2.069 266 N HA -0.205 4.446 4.740 -0.149 0.000 0.191 266 N C 1.885 177.378 175.510 -0.028 0.000 1.031 266 N CA 1.192 54.205 53.050 -0.061 0.000 0.852 266 N CB -0.261 38.193 38.487 -0.055 0.000 1.018 266 N HN 0.331 nan 8.380 nan 0.000 0.423 267 A N 0.863 123.665 122.820 -0.029 0.000 1.917 267 A HA -0.188 4.043 4.320 -0.149 0.000 0.219 267 A C 2.391 180.061 177.584 0.143 0.000 1.182 267 A CA 1.747 53.824 52.037 0.067 0.000 0.633 267 A CB -0.765 18.303 19.000 0.113 0.000 0.819 267 A HN 0.215 nan 8.150 nan 0.000 0.448 268 S N -0.471 115.329 115.700 0.166 0.000 2.353 268 S HA -0.186 4.195 4.470 -0.149 0.000 0.222 268 S C 2.063 176.712 174.600 0.081 0.000 1.035 268 S CA 1.900 60.210 58.200 0.183 0.000 1.025 268 S CB -0.414 62.863 63.200 0.128 0.000 0.902 268 S HN 0.597 nan 8.310 nan 0.000 0.440 269 M N 0.931 120.553 119.600 0.037 0.000 2.175 269 M HA -0.065 4.325 4.480 -0.149 0.000 0.264 269 M C 2.501 178.814 176.300 0.023 0.000 1.063 269 M CA 1.313 56.626 55.300 0.022 0.000 1.119 269 M CB -0.651 31.953 32.600 0.007 0.000 1.377 269 M HN 0.382 nan 8.290 nan 0.000 0.415 270 A N 0.140 122.974 122.820 0.022 0.000 1.940 270 A HA -0.100 4.131 4.320 -0.149 0.000 0.219 270 A C 2.283 179.872 177.584 0.009 0.000 1.176 270 A CA 1.596 53.640 52.037 0.012 0.000 0.631 270 A CB -0.954 18.051 19.000 0.008 0.000 0.814 270 A HN 0.304 nan 8.150 nan 0.000 0.446 271 V N -0.503 119.429 119.914 0.029 0.000 2.307 271 V HA -0.230 3.800 4.120 -0.149 0.000 0.245 271 V C 2.512 178.625 176.094 0.032 0.000 1.045 271 V CA 1.930 64.245 62.300 0.024 0.000 1.024 271 V CB -0.731 31.132 31.823 0.067 0.000 0.651 271 V HN 0.499 nan 8.190 nan 0.000 0.449 272 L N -0.192 121.054 121.223 0.039 0.000 2.042 272 L HA -0.158 4.092 4.340 -0.149 0.000 0.210 272 L C 2.628 179.512 176.870 0.023 0.000 1.076 272 L CA 1.943 56.804 54.840 0.035 0.000 0.749 272 L CB -0.758 41.319 42.059 0.031 0.000 0.893 272 L HN 0.254 nan 8.230 nan 0.000 0.432 273 R N -0.836 119.674 120.500 0.015 0.000 2.081 273 R HA -0.197 4.053 4.340 -0.149 0.000 0.235 273 R C 2.167 178.467 176.300 0.000 0.000 1.131 273 R CA 1.386 57.491 56.100 0.009 0.000 0.960 273 R CB -0.376 29.928 30.300 0.006 0.000 0.856 273 R HN 0.283 nan 8.270 nan 0.000 0.436 274 E N 1.102 121.295 120.200 -0.012 0.000 2.107 274 E HA -0.119 4.142 4.350 -0.149 0.000 0.191 274 E C 1.622 178.211 176.600 -0.018 0.000 0.982 274 E CA 0.906 57.289 56.400 -0.028 0.000 0.809 274 E CB -0.005 29.656 29.700 -0.064 0.000 0.756 274 E HN 0.077 nan 8.360 nan 0.000 0.459 275 I N 0.041 120.612 120.570 0.001 0.000 2.353 275 I HA 0.097 4.177 4.170 -0.149 0.000 0.248 275 I C 1.712 177.843 176.117 0.024 0.000 1.119 275 I CA 1.550 62.866 61.300 0.028 0.000 1.417 275 I CB -0.465 37.579 38.000 0.075 0.000 1.078 275 I HN 0.367 nan 8.210 nan 0.000 0.421 276 G N -0.097 108.715 108.800 0.020 0.000 2.151 276 G HA2 -0.150 3.720 3.960 -0.149 0.000 0.156 276 G HA3 -0.150 3.720 3.960 -0.149 0.000 0.156 276 G C 0.043 174.956 174.900 0.022 0.000 1.017 276 G CA -0.080 45.031 45.100 0.019 0.000 0.686 276 G HN 0.113 nan 8.290 nan 0.000 0.503 277 V N 0.781 120.710 119.914 0.025 0.000 2.353 277 V HA 0.364 4.395 4.120 -0.149 0.000 0.264 277 V C 1.097 177.207 176.094 0.027 0.000 1.049 277 V CA 0.402 62.718 62.300 0.026 0.000 0.896 277 V CB 1.262 33.102 31.823 0.028 0.000 1.025 277 V HN 0.480 nan 8.190 nan 0.000 0.475 278 E N 2.380 122.595 120.200 0.026 0.000 2.511 278 E HA 0.074 4.334 4.350 -0.149 0.000 0.209 278 E C 0.610 177.230 176.600 0.034 0.000 0.986 278 E CA 0.436 56.853 56.400 0.028 0.000 0.974 278 E CB 0.832 30.546 29.700 0.024 0.000 1.030 278 E HN 0.806 nan 8.360 nan 0.000 0.490 279 T N -1.914 112.661 114.554 0.035 0.000 3.734 279 T HA 0.609 4.870 4.350 -0.149 0.000 0.238 279 T C -0.036 174.690 174.700 0.044 0.000 1.205 279 T CA -0.249 61.876 62.100 0.041 0.000 1.606 279 T CB 0.849 69.737 68.868 0.034 0.000 0.832 279 T HN 0.128 nan 8.240 nan 0.000 0.655 280 G N -0.262 108.567 108.800 0.049 0.000 2.317 280 G HA2 0.588 4.458 3.960 -0.149 0.000 0.293 280 G HA3 0.588 4.458 3.960 -0.149 0.000 0.293 280 G C -0.483 174.447 174.900 0.050 0.000 1.287 280 G CA -0.202 44.930 45.100 0.053 0.000 0.850 280 G HN 0.705 nan 8.290 nan 0.000 0.515 281 G N -1.126 107.705 108.800 0.051 0.000 2.491 281 G HA2 0.713 4.584 3.960 -0.149 0.000 0.327 281 G HA3 0.713 4.584 3.960 -0.149 0.000 0.327 281 G C -0.514 174.407 174.900 0.035 0.000 1.189 281 G CA 0.258 45.382 45.100 0.040 0.000 0.956 281 G HN 1.284 nan 8.290 nan 0.000 0.491 282 S N -0.805 114.910 115.700 0.025 0.000 2.565 282 S HA 0.373 4.754 4.470 -0.149 0.000 0.269 282 S C -1.074 173.534 174.600 0.013 0.000 1.153 282 S CA -0.896 57.316 58.200 0.019 0.000 0.835 282 S CB 1.906 65.116 63.200 0.016 0.000 1.122 282 S HN 0.798 nan 8.310 nan 0.000 0.462 283 N N 1.373 120.075 118.700 0.003 0.000 2.400 283 N HA 0.552 5.203 4.740 -0.149 0.000 0.288 283 N C -1.471 174.017 175.510 -0.036 0.000 1.024 283 N CA -0.239 52.810 53.050 -0.002 0.000 0.894 283 N CB 1.372 39.860 38.487 0.001 0.000 1.173 283 N HN 0.364 nan 8.380 nan 0.000 0.487 284 V N 2.841 122.738 119.914 -0.028 0.000 2.495 284 V HA 0.385 4.416 4.120 -0.149 0.000 0.298 284 V C -0.175 175.767 176.094 -0.253 0.000 1.031 284 V CA -0.753 61.466 62.300 -0.135 0.000 0.871 284 V CB 1.615 33.393 31.823 -0.074 0.000 0.988 284 V HN 0.646 nan 8.190 nan 0.000 0.432 285 Q N 2.836 122.351 119.800 -0.475 0.000 2.337 285 Q HA 0.726 4.976 4.340 -0.149 0.000 0.266 285 Q C -1.734 173.851 176.000 -0.693 0.000 1.023 285 Q CA -0.363 55.209 55.803 -0.385 0.000 0.829 285 Q CB 2.529 31.131 28.738 -0.226 0.000 1.306 285 Q HN 0.671 nan 8.270 nan 0.000 0.449 286 F N 0.119 120.123 119.950 0.090 0.000 2.629 286 F HA 0.775 5.213 4.527 -0.149 0.000 0.316 286 F C -0.355 175.554 175.800 0.181 0.000 1.081 286 F CA -1.025 57.052 58.000 0.128 0.000 0.954 286 F CB 1.742 40.826 39.000 0.140 0.000 1.337 286 F HN 0.491 nan 8.300 nan 0.000 0.474 287 A N 1.034 124.126 122.820 0.453 0.000 2.355 287 A HA 0.851 5.081 4.320 -0.149 0.000 0.317 287 A C -1.718 176.202 177.584 0.559 0.000 1.094 287 A CA -0.705 51.597 52.037 0.443 0.000 0.764 287 A CB 1.398 20.580 19.000 0.304 0.000 1.230 287 A HN 0.530 nan 8.150 nan 0.000 0.448 288 V N 2.804 123.050 119.914 0.552 0.000 2.588 288 V HA 0.317 4.347 4.120 -0.149 0.000 0.304 288 V C -0.384 175.761 176.094 0.085 0.000 1.042 288 V CA -0.950 61.552 62.300 0.335 0.000 0.877 288 V CB 1.946 33.941 31.823 0.287 0.000 0.996 288 V HN 0.913 nan 8.190 nan 0.000 0.425 289 N N 7.023 125.443 118.700 -0.467 0.000 2.401 289 N HA 0.256 4.907 4.740 -0.149 0.000 0.255 289 N C -1.479 173.762 175.510 -0.448 0.000 1.110 289 N CA -1.976 50.416 53.050 -1.097 0.000 0.949 289 N CB 1.867 39.386 38.487 -1.614 0.000 1.110 289 N HN 0.285 nan 8.380 nan 0.000 0.490 290 P HA -0.111 nan 4.420 nan 0.000 0.221 290 P C 0.491 177.719 177.300 -0.121 0.000 1.145 290 P CA 1.334 64.372 63.100 -0.103 0.000 0.795 290 P CB 0.415 32.118 31.700 0.005 0.000 0.775 291 K N -0.448 119.848 120.400 -0.173 0.000 2.305 291 K HA -0.020 4.211 4.320 -0.149 0.000 0.199 291 K C 0.945 177.471 176.600 -0.123 0.000 1.047 291 K CA 1.254 57.465 56.287 -0.127 0.000 0.976 291 K CB -0.096 32.334 32.500 -0.115 0.000 0.765 291 K HN 0.269 nan 8.250 nan 0.000 0.474 292 N N -2.453 116.149 118.700 -0.163 0.000 1.986 292 N HA 0.074 4.725 4.740 -0.149 0.000 0.227 292 N C 0.673 176.111 175.510 -0.119 0.000 1.387 292 N CA 0.387 53.363 53.050 -0.123 0.000 0.810 292 N CB 0.746 39.167 38.487 -0.110 0.000 1.140 292 N HN 0.053 nan 8.380 nan 0.000 0.504 293 G N 0.888 109.603 108.800 -0.141 0.000 2.184 293 G HA2 -0.394 3.476 3.960 -0.149 0.000 0.264 293 G HA3 -0.394 3.476 3.960 -0.149 0.000 0.264 293 G C 0.022 174.866 174.900 -0.093 0.000 0.975 293 G CA 0.270 45.305 45.100 -0.108 0.000 0.642 293 G HN 0.610 nan 8.290 nan 0.000 0.536 294 R N -0.049 120.380 120.500 -0.119 0.000 2.504 294 R HA 0.249 4.500 4.340 -0.149 0.000 0.291 294 R C -0.186 176.162 176.300 0.080 0.000 0.974 294 R CA -0.043 56.040 56.100 -0.029 0.000 1.077 294 R CB 0.011 30.287 30.300 -0.040 0.000 0.926 294 R HN 0.335 nan 8.270 nan 0.000 0.407 295 L N 6.587 127.879 121.223 0.116 0.000 2.307 295 L HA 0.486 4.736 4.340 -0.149 0.000 0.284 295 L C -0.812 176.212 176.870 0.257 0.000 1.023 295 L CA -0.208 54.733 54.840 0.168 0.000 0.810 295 L CB 1.405 43.485 42.059 0.036 0.000 1.231 295 L HN 0.568 nan 8.230 nan 0.000 0.423 296 I N 5.120 125.899 120.570 0.350 0.000 2.498 296 I HA 0.352 4.433 4.170 -0.149 0.000 0.290 296 I C -0.781 175.526 176.117 0.316 0.000 1.032 296 I CA -0.977 60.494 61.300 0.285 0.000 1.073 296 I CB 2.238 40.362 38.000 0.208 0.000 1.251 296 I HN 0.205 nan 8.210 nan 0.000 0.426 297 V N 6.612 126.654 119.914 0.214 0.000 2.488 297 V HA 0.165 4.195 4.120 -0.149 0.000 0.277 297 V C 1.028 177.142 176.094 0.034 0.000 1.046 297 V CA -0.117 62.216 62.300 0.056 0.000 0.986 297 V CB 1.172 33.038 31.823 0.072 0.000 0.989 297 V HN 0.577 nan 8.190 nan 0.000 0.475 298 I N 3.192 123.699 120.570 -0.105 0.000 2.499 298 I HA 0.198 4.278 4.170 -0.149 0.000 0.243 298 I C 1.001 177.019 176.117 -0.164 0.000 1.085 298 I CA 0.993 62.239 61.300 -0.089 0.000 1.422 298 I CB -0.206 37.728 38.000 -0.110 0.000 1.165 298 I HN 0.946 nan 8.210 nan 0.000 0.440 299 E N 0.959 120.966 120.200 -0.321 0.000 2.442 299 E HA 0.512 4.772 4.350 -0.149 0.000 0.278 299 E C -0.935 175.329 176.600 -0.559 0.000 1.082 299 E CA -0.911 55.076 56.400 -0.688 0.000 0.861 299 E CB 1.803 31.185 29.700 -0.530 0.000 1.462 299 E HN 0.025 nan 8.360 nan 0.000 0.458 300 M N 0.857 120.051 119.600 -0.676 0.000 2.322 300 M HA 0.560 4.951 4.480 -0.149 0.000 0.286 300 M C -2.201 173.941 176.300 -0.263 0.000 1.111 300 M CA -0.457 54.663 55.300 -0.300 0.000 0.941 300 M CB 2.288 34.873 32.600 -0.025 0.000 1.671 300 M HN 0.378 nan 8.290 nan 0.000 0.470 301 N N 4.674 123.284 118.700 -0.150 0.000 2.446 301 N HA 0.436 5.086 4.740 -0.149 0.000 0.265 301 N C -2.609 172.871 175.510 -0.050 0.000 0.975 301 N CA -1.187 51.798 53.050 -0.108 0.000 0.928 301 N CB 1.827 40.275 38.487 -0.065 0.000 1.160 301 N HN 0.551 nan 8.380 nan 0.000 0.495 302 P HA 0.128 nan 4.420 nan 0.000 0.220 302 P C -0.559 176.745 177.300 0.006 0.000 1.778 302 P CA 0.146 63.238 63.100 -0.013 0.000 0.912 302 P CB -0.146 31.543 31.700 -0.018 0.000 1.861 303 R N -2.101 118.414 120.500 0.025 0.000 2.855 303 R HA 0.478 4.728 4.340 -0.149 0.000 0.274 303 R C -0.636 175.719 176.300 0.092 0.000 0.997 303 R CA -1.106 55.026 56.100 0.053 0.000 0.856 303 R CB -0.110 30.217 30.300 0.044 0.000 1.378 303 R HN -0.153 nan 8.270 nan 0.000 0.462 304 V N -0.307 119.691 119.914 0.139 0.000 3.185 304 V HA 0.745 4.775 4.120 -0.149 0.000 0.305 304 V C 0.109 176.359 176.094 0.260 0.000 1.090 304 V CA 0.478 62.883 62.300 0.175 0.000 1.107 304 V CB 1.168 33.100 31.823 0.180 0.000 1.061 304 V HN 1.046 nan 8.190 nan 0.000 0.480 305 S N 2.239 118.049 115.700 0.185 0.000 2.790 305 S HA 0.478 4.858 4.470 -0.149 0.000 0.292 305 S C 0.665 175.251 174.600 -0.024 0.000 1.197 305 S CA -0.508 57.796 58.200 0.173 0.000 0.851 305 S CB 1.515 64.790 63.200 0.124 0.000 1.217 305 S HN 1.114 nan 8.310 nan 0.000 0.526 306 R N 0.323 120.795 120.500 -0.046 0.000 2.148 306 R HA 0.099 4.349 4.340 -0.149 0.000 0.227 306 R C 1.579 177.858 176.300 -0.035 0.000 1.103 306 R CA 1.646 57.680 56.100 -0.109 0.000 0.983 306 R CB -0.844 29.411 30.300 -0.074 0.000 0.874 306 R HN 0.413 nan 8.270 nan 0.000 0.451 307 S N 1.243 116.951 115.700 0.012 0.000 2.371 307 S HA -0.117 4.263 4.470 -0.149 0.000 0.224 307 S C 2.046 176.667 174.600 0.036 0.000 1.029 307 S CA 1.416 59.632 58.200 0.027 0.000 0.978 307 S CB -0.053 63.168 63.200 0.036 0.000 0.833 307 S HN 0.666 nan 8.310 nan 0.000 0.466 308 S N 2.083 117.812 115.700 0.050 0.000 2.402 308 S HA 0.047 4.427 4.470 -0.149 0.000 0.229 308 S C 1.996 176.658 174.600 0.104 0.000 1.021 308 S CA 0.897 59.142 58.200 0.074 0.000 0.974 308 S CB -0.498 62.756 63.200 0.090 0.000 0.800 308 S HN 0.471 nan 8.310 nan 0.000 0.484 309 A N 1.836 124.702 122.820 0.077 0.000 1.898 309 A HA 0.125 4.356 4.320 -0.149 0.000 0.216 309 A C 2.210 179.790 177.584 -0.006 0.000 1.181 309 A CA 1.434 53.513 52.037 0.071 0.000 0.620 309 A CB -0.875 18.105 19.000 -0.032 0.000 0.819 309 A HN 0.519 nan 8.150 nan 0.000 0.442 310 L N -0.067 121.152 121.223 -0.006 0.000 2.017 310 L HA -0.092 4.159 4.340 -0.149 0.000 0.208 310 L C 2.688 179.575 176.870 0.029 0.000 1.073 310 L CA 2.296 57.134 54.840 -0.002 0.000 0.745 310 L CB -0.819 41.242 42.059 0.005 0.000 0.894 310 L HN 0.342 nan 8.230 nan 0.000 0.432 311 A N -1.408 121.443 122.820 0.052 0.000 1.908 311 A HA -0.219 4.011 4.320 -0.149 0.000 0.218 311 A C 2.371 180.028 177.584 0.122 0.000 1.181 311 A CA 2.132 54.209 52.037 0.068 0.000 0.627 311 A CB -1.001 18.027 19.000 0.047 0.000 0.818 311 A HN 0.566 nan 8.150 nan 0.000 0.445 312 S N -0.405 115.395 115.700 0.168 0.000 2.382 312 S HA -0.113 4.268 4.470 -0.149 0.000 0.228 312 S C 1.988 176.756 174.600 0.281 0.000 1.027 312 S CA 1.676 60.043 58.200 0.278 0.000 0.991 312 S CB -0.174 63.243 63.200 0.362 0.000 0.823 312 S HN 0.492 nan 8.310 nan 0.000 0.469 313 K N 1.931 122.429 120.400 0.165 0.000 2.076 313 K HA 0.284 4.514 4.320 -0.149 0.000 0.204 313 K C 2.184 178.865 176.600 0.136 0.000 1.051 313 K CA 1.046 57.434 56.287 0.168 0.000 0.949 313 K CB -0.924 31.588 32.500 0.021 0.000 0.726 313 K HN 0.277 nan 8.250 nan 0.000 0.443 314 A N 0.369 123.227 122.820 0.064 0.000 1.877 314 A HA -0.180 4.051 4.320 -0.149 0.000 0.216 314 A C 2.245 179.923 177.584 0.157 0.000 1.186 314 A CA 2.607 54.676 52.037 0.054 0.000 0.620 314 A CB -1.088 17.948 19.000 0.059 0.000 0.822 314 A HN 0.488 nan 8.150 nan 0.000 0.443 315 T N -5.198 109.468 114.554 0.186 0.000 3.031 315 T HA 0.400 4.661 4.350 -0.149 0.000 0.254 315 T C 1.512 176.393 174.700 0.302 0.000 1.060 315 T CA 1.261 63.495 62.100 0.223 0.000 1.135 315 T CB 0.104 69.086 68.868 0.190 0.000 0.896 315 T HN 1.762 nan 8.240 nan 0.000 0.472 316 G N 0.923 109.956 108.800 0.389 0.000 2.159 316 G HA2 -0.173 3.697 3.960 -0.149 0.000 0.227 316 G HA3 -0.173 3.697 3.960 -0.149 0.000 0.227 316 G C -0.224 174.967 174.900 0.485 0.000 0.986 316 G CA -0.102 45.281 45.100 0.472 0.000 0.651 316 G HN 0.606 nan 8.290 nan 0.000 0.523 317 F N 3.794 123.917 119.950 0.289 0.000 2.350 317 F HA 0.575 5.012 4.527 -0.150 0.000 0.365 317 F C -1.801 174.139 175.800 0.234 0.000 1.122 317 F CA -3.322 54.821 58.000 0.239 0.000 1.139 317 F CB 1.432 40.500 39.000 0.112 0.000 1.220 317 F HN -0.065 nan 8.300 nan 0.000 0.499 318 P HA 0.022 nan 4.420 nan 0.000 0.245 318 P C 1.299 178.758 177.300 0.266 0.000 1.670 318 P CA 0.535 63.782 63.100 0.246 0.000 1.146 318 P CB -0.319 31.450 31.700 0.114 0.000 1.954 319 I N 1.530 122.349 120.570 0.415 0.000 2.113 319 I HA -0.354 3.726 4.170 -0.149 0.000 0.242 319 I C 2.397 178.629 176.117 0.191 0.000 1.064 319 I CA 2.047 63.560 61.300 0.356 0.000 1.320 319 I CB -0.810 37.339 38.000 0.248 0.000 1.028 319 I HN 0.176 nan 8.210 nan 0.000 0.406 320 A N 0.303 123.184 122.820 0.101 0.000 1.902 320 A HA -0.255 3.975 4.320 -0.149 0.000 0.217 320 A C 2.347 179.932 177.584 0.002 0.000 1.181 320 A CA 1.929 53.981 52.037 0.026 0.000 0.623 320 A CB -0.534 18.428 19.000 -0.064 0.000 0.818 320 A HN 0.318 nan 8.150 nan 0.000 0.443 321 K N -0.600 119.784 120.400 -0.026 0.000 2.032 321 K HA -0.099 4.131 4.320 -0.149 0.000 0.209 321 K C 1.870 178.473 176.600 0.004 0.000 1.048 321 K CA 1.598 57.865 56.287 -0.032 0.000 0.927 321 K CB -0.293 32.177 32.500 -0.049 0.000 0.712 321 K HN 0.260 nan 8.250 nan 0.000 0.441 322 V N 0.770 120.710 119.914 0.043 0.000 2.261 322 V HA -0.254 3.777 4.120 -0.149 0.000 0.246 322 V C 2.259 178.407 176.094 0.091 0.000 1.047 322 V CA 2.046 64.388 62.300 0.071 0.000 1.015 322 V CB -0.653 31.268 31.823 0.163 0.000 0.642 322 V HN 0.454 nan 8.190 nan 0.000 0.446 323 A N -0.120 122.762 122.820 0.103 0.000 1.940 323 A HA -0.156 4.075 4.320 -0.149 0.000 0.219 323 A C 2.407 180.026 177.584 0.057 0.000 1.176 323 A CA 2.197 54.286 52.037 0.085 0.000 0.631 323 A CB -0.760 18.287 19.000 0.079 0.000 0.814 323 A HN 0.585 nan 8.150 nan 0.000 0.446 324 A N 0.191 123.033 122.820 0.037 0.000 1.858 324 A HA -0.178 4.052 4.320 -0.149 0.000 0.216 324 A C 2.063 179.667 177.584 0.033 0.000 1.190 324 A CA 1.737 53.782 52.037 0.013 0.000 0.617 324 A CB -0.483 18.513 19.000 -0.006 0.000 0.827 324 A HN 0.460 nan 8.150 nan 0.000 0.443 325 K N -0.808 119.629 120.400 0.061 0.000 2.218 325 K HA -0.140 4.091 4.320 -0.149 0.000 0.205 325 K C 1.676 178.421 176.600 0.241 0.000 1.046 325 K CA 1.032 57.414 56.287 0.157 0.000 0.933 325 K CB -0.416 32.090 32.500 0.009 0.000 0.728 325 K HN 0.340 nan 8.250 nan 0.000 0.454 326 L N 0.750 122.059 121.223 0.144 0.000 2.131 326 L HA 0.008 4.259 4.340 -0.149 0.000 0.206 326 L C 2.397 179.314 176.870 0.079 0.000 1.087 326 L CA 1.318 56.239 54.840 0.135 0.000 0.767 326 L CB -1.022 41.101 42.059 0.107 0.000 0.917 326 L HN 0.090 nan 8.230 nan 0.000 0.441 327 A N -0.465 122.381 122.820 0.043 0.000 1.986 327 A HA -0.154 4.077 4.320 -0.149 0.000 0.220 327 A C 1.680 179.247 177.584 -0.030 0.000 1.171 327 A CA 1.797 53.835 52.037 0.002 0.000 0.640 327 A CB -0.898 18.090 19.000 -0.020 0.000 0.811 327 A HN 0.331 nan 8.150 nan 0.000 0.451 328 V N -4.167 115.724 119.914 -0.038 0.000 3.110 328 V HA 0.615 4.645 4.120 -0.149 0.000 0.368 328 V C 1.067 177.128 176.094 -0.056 0.000 1.332 328 V CA 0.449 62.697 62.300 -0.088 0.000 1.287 328 V CB -0.976 30.680 31.823 -0.278 0.000 1.277 328 V HN 1.417 nan 8.190 nan 0.000 0.502 329 G N -0.425 108.359 108.800 -0.027 0.000 2.241 329 G HA2 -0.318 3.553 3.960 -0.149 0.000 0.244 329 G HA3 -0.318 3.553 3.960 -0.149 0.000 0.244 329 G C -0.002 174.861 174.900 -0.062 0.000 0.998 329 G CA 0.281 45.345 45.100 -0.061 0.000 0.621 329 G HN 0.617 nan 8.290 nan 0.000 0.519 330 Y N 2.149 122.477 120.300 0.046 0.000 2.385 330 Y HA 0.412 4.872 4.550 -0.149 0.000 0.346 330 Y C 1.593 177.521 175.900 0.047 0.000 1.270 330 Y CA 0.960 59.090 58.100 0.049 0.000 1.472 330 Y CB 0.712 39.203 38.460 0.052 0.000 1.354 330 Y HN 0.306 nan 8.280 nan 0.000 0.611 331 T N -1.414 113.285 114.554 0.241 0.000 2.932 331 T HA 0.377 4.637 4.350 -0.149 0.000 0.289 331 T C 0.802 175.593 174.700 0.152 0.000 1.039 331 T CA -0.937 61.256 62.100 0.155 0.000 1.024 331 T CB 1.093 70.027 68.868 0.109 0.000 1.090 331 T HN 0.616 nan 8.240 nan 0.000 0.496 332 L N 0.946 122.246 121.223 0.130 0.000 2.013 332 L HA -0.152 4.099 4.340 -0.149 0.000 0.212 332 L C 2.599 179.539 176.870 0.117 0.000 1.073 332 L CA 1.982 56.903 54.840 0.135 0.000 0.753 332 L CB -0.725 41.424 42.059 0.150 0.000 0.890 332 L HN 0.829 nan 8.230 nan 0.000 0.432 333 D N -0.205 120.257 120.400 0.103 0.000 2.309 333 D HA -0.216 4.334 4.640 -0.149 0.000 0.212 333 D C 1.506 177.847 176.300 0.068 0.000 0.968 333 D CA 1.122 55.171 54.000 0.081 0.000 0.882 333 D CB -0.318 40.525 40.800 0.071 0.000 0.918 333 D HN 0.531 nan 8.370 nan 0.000 0.503 334 E N -0.035 120.221 120.200 0.092 0.000 2.299 334 E HA 0.129 4.390 4.350 -0.149 0.000 0.193 334 E C 0.611 177.224 176.600 0.022 0.000 0.998 334 E CA 0.065 56.524 56.400 0.099 0.000 0.851 334 E CB 0.287 30.122 29.700 0.225 0.000 0.795 334 E HN 0.333 nan 8.360 nan 0.000 0.492 335 L N 1.149 122.372 121.223 0.000 0.000 2.360 335 L HA 0.357 4.607 4.340 -0.149 0.000 0.271 335 L C 0.189 177.026 176.870 -0.055 0.000 1.057 335 L CA -0.772 54.022 54.840 -0.076 0.000 0.803 335 L CB 0.756 42.765 42.059 -0.083 0.000 1.207 335 L HN -0.052 nan 8.230 nan 0.000 0.445 336 M N 1.397 120.944 119.600 -0.088 0.000 2.404 336 M HA 0.261 4.651 4.480 -0.149 0.000 0.338 336 M C -0.551 175.682 176.300 -0.113 0.000 1.150 336 M CA -0.643 54.600 55.300 -0.095 0.000 1.016 336 M CB 1.152 33.697 32.600 -0.092 0.000 1.672 336 M HN 0.432 nan 8.290 nan 0.000 0.448 337 N N 2.100 120.718 118.700 -0.136 0.000 2.399 337 N HA 0.030 4.680 4.740 -0.149 0.000 0.259 337 N C 0.322 175.755 175.510 -0.129 0.000 1.160 337 N CA 0.293 53.255 53.050 -0.147 0.000 0.946 337 N CB 0.464 38.826 38.487 -0.208 0.000 1.156 337 N HN 0.408 nan 8.380 nan 0.000 0.489 338 D N 2.611 122.955 120.400 -0.094 0.000 2.205 338 D HA -0.274 4.277 4.640 -0.149 0.000 0.190 338 D C 1.821 178.053 176.300 -0.113 0.000 1.002 338 D CA 2.057 56.024 54.000 -0.056 0.000 0.848 338 D CB -0.363 40.474 40.800 0.063 0.000 0.975 338 D HN 0.802 nan 8.370 nan 0.000 0.449 339 I N -0.531 119.942 120.570 -0.161 0.000 2.530 339 I HA -0.160 3.920 4.170 -0.149 0.000 0.257 339 I C 1.041 177.098 176.117 -0.100 0.000 1.179 339 I CA 1.690 62.880 61.300 -0.183 0.000 1.440 339 I CB -0.581 37.267 38.000 -0.255 0.000 1.087 339 I HN -0.040 nan 8.210 nan 0.000 0.440 340 T N -1.465 113.027 114.554 -0.104 0.000 3.256 340 T HA 0.540 4.800 4.350 -0.149 0.000 0.237 340 T C 1.262 175.903 174.700 -0.099 0.000 0.908 340 T CA -0.060 61.983 62.100 -0.095 0.000 0.966 340 T CB -0.326 68.427 68.868 -0.191 0.000 1.134 340 T HN 0.711 nan 8.240 nan 0.000 0.573 341 G N 0.836 109.590 108.800 -0.077 0.000 2.244 341 G HA2 -0.063 3.807 3.960 -0.149 0.000 0.274 341 G HA3 -0.063 3.807 3.960 -0.149 0.000 0.274 341 G C 1.168 176.024 174.900 -0.075 0.000 1.002 341 G CA 0.336 45.398 45.100 -0.062 0.000 0.740 341 G HN 1.935 nan 8.290 nan 0.000 0.516 342 G N -1.468 107.271 108.800 -0.103 0.000 2.155 342 G HA2 -0.339 3.532 3.960 -0.149 0.000 0.257 342 G HA3 -0.339 3.532 3.960 -0.149 0.000 0.257 342 G C 1.158 175.984 174.900 -0.123 0.000 0.983 342 G CA 1.190 46.227 45.100 -0.106 0.000 0.676 342 G HN 0.911 nan 8.290 nan 0.000 0.528 343 R N 0.769 121.184 120.500 -0.143 0.000 2.070 343 R HA 0.086 4.337 4.340 -0.149 0.000 0.233 343 R C 2.195 178.359 176.300 -0.226 0.000 1.137 343 R CA 1.990 57.999 56.100 -0.152 0.000 0.945 343 R CB -0.654 29.567 30.300 -0.131 0.000 0.845 343 R HN 0.740 nan 8.270 nan 0.000 0.430 344 T N -1.213 113.125 114.554 -0.360 0.000 2.943 344 T HA 0.551 4.812 4.350 -0.149 0.000 0.284 344 T C -2.565 171.943 174.700 -0.321 0.000 1.015 344 T CA -2.268 59.562 62.100 -0.449 0.000 1.042 344 T CB 2.201 70.561 68.868 -0.847 0.000 1.055 344 T HN -0.096 nan 8.240 nan 0.000 0.500 345 P HA 0.367 nan 4.420 nan 0.000 0.278 345 P C 0.299 177.615 177.300 0.026 0.000 1.266 345 P CA -0.661 62.387 63.100 -0.087 0.000 0.807 345 P CB 0.694 32.384 31.700 -0.017 0.000 1.094 346 A N 0.671 123.564 122.820 0.122 0.000 2.167 346 A HA 0.022 4.253 4.320 -0.149 0.000 0.214 346 A C 1.091 178.957 177.584 0.471 0.000 1.151 346 A CA 0.589 52.797 52.037 0.284 0.000 0.735 346 A CB -1.168 17.892 19.000 0.102 0.000 0.802 346 A HN 0.574 nan 8.150 nan 0.000 0.467 347 S N 0.668 116.569 115.700 0.335 0.000 3.483 347 S HA 0.569 4.949 4.470 -0.149 0.000 0.274 347 S C -0.382 174.449 174.600 0.386 0.000 1.289 347 S CA -0.611 57.763 58.200 0.289 0.000 0.938 347 S CB -1.229 62.075 63.200 0.173 0.000 1.453 347 S HN 0.771 nan 8.310 nan 0.000 0.494 348 F N -1.484 118.555 119.950 0.148 0.000 2.773 348 F HA 0.653 5.091 4.527 -0.149 0.000 0.314 348 F C -1.406 174.467 175.800 0.121 0.000 1.160 348 F CA -1.240 56.831 58.000 0.118 0.000 0.920 348 F CB 0.918 39.980 39.000 0.102 0.000 1.323 348 F HN 0.168 nan 8.300 nan 0.000 0.457 349 E N 2.586 122.700 120.200 -0.144 0.000 2.145 349 E HA 0.388 4.648 4.350 -0.149 0.000 0.270 349 E C -2.618 173.842 176.600 -0.235 0.000 0.906 349 E CA -2.012 54.215 56.400 -0.288 0.000 0.761 349 E CB 1.742 31.398 29.700 -0.075 0.000 1.116 349 E HN 0.295 nan 8.360 nan 0.000 0.408 350 P HA -0.008 nan 4.420 nan 0.000 0.270 350 P C -0.736 176.588 177.300 0.039 0.000 1.223 350 P CA -0.121 62.956 63.100 -0.037 0.000 0.785 350 P CB 0.733 32.410 31.700 -0.038 0.000 0.923 351 S N 1.166 116.931 115.700 0.107 0.000 2.619 351 S HA 0.694 5.075 4.470 -0.149 0.000 0.280 351 S C -0.694 173.879 174.600 -0.045 0.000 1.150 351 S CA -0.780 57.428 58.200 0.014 0.000 0.978 351 S CB -0.038 63.188 63.200 0.043 0.000 1.041 351 S HN 0.359 nan 8.310 nan 0.000 0.485 352 I N 1.754 122.217 120.570 -0.179 0.000 2.603 352 I HA 0.686 4.766 4.170 -0.149 0.000 0.300 352 I C -0.450 175.389 176.117 -0.463 0.000 1.017 352 I CA -0.901 60.145 61.300 -0.424 0.000 1.098 352 I CB 2.108 39.679 38.000 -0.714 0.000 1.279 352 I HN 0.541 nan 8.210 nan 0.000 0.437 353 D N 4.053 124.135 120.400 -0.529 0.000 2.738 353 D HA 0.227 4.778 4.640 -0.149 0.000 0.246 353 D C -0.480 175.743 176.300 -0.129 0.000 1.270 353 D CA -0.105 53.757 54.000 -0.230 0.000 0.833 353 D CB -0.376 40.409 40.800 -0.025 0.000 1.040 353 D HN 0.743 nan 8.370 nan 0.000 0.487 354 Y N -3.420 116.878 120.300 -0.003 0.000 2.853 354 Y HA 0.678 5.138 4.550 -0.149 0.000 0.326 354 Y C -1.511 174.361 175.900 -0.048 0.000 1.384 354 Y CA -1.720 56.353 58.100 -0.044 0.000 1.077 354 Y CB 0.815 39.156 38.460 -0.199 0.000 1.395 354 Y HN -0.235 nan 8.280 nan 0.000 0.451 355 V N 1.997 122.080 119.914 0.281 0.000 2.487 355 V HA 0.599 4.629 4.120 -0.149 0.000 0.298 355 V C -0.779 175.408 176.094 0.156 0.000 1.028 355 V CA -0.829 61.590 62.300 0.198 0.000 0.860 355 V CB 1.411 33.350 31.823 0.192 0.000 0.991 355 V HN 0.646 nan 8.190 nan 0.000 0.427 356 V N 3.699 123.693 119.914 0.134 0.000 2.435 356 V HA 0.591 4.621 4.120 -0.149 0.000 0.290 356 V C 0.210 176.330 176.094 0.043 0.000 1.030 356 V CA -0.224 62.095 62.300 0.032 0.000 0.881 356 V CB 2.031 33.869 31.823 0.026 0.000 0.983 356 V HN 0.967 nan 8.190 nan 0.000 0.445 357 T N 4.858 119.418 114.554 0.009 0.000 2.829 357 T HA 0.477 4.737 4.350 -0.149 0.000 0.280 357 T C -0.539 174.155 174.700 -0.010 0.000 0.999 357 T CA -0.713 61.392 62.100 0.008 0.000 0.983 357 T CB 1.651 70.513 68.868 -0.010 0.000 0.968 357 T HN 0.672 nan 8.240 nan 0.000 0.446 358 K N 3.426 123.815 120.400 -0.018 0.000 2.345 358 K HA 0.609 4.839 4.320 -0.149 0.000 0.255 358 K C -1.426 175.145 176.600 -0.047 0.000 0.934 358 K CA -0.715 55.562 56.287 -0.016 0.000 0.801 358 K CB 1.123 33.622 32.500 -0.002 0.000 1.137 358 K HN 0.601 nan 8.250 nan 0.000 0.424 359 I N 5.949 126.492 120.570 -0.045 0.000 2.436 359 I HA 0.324 4.405 4.170 -0.149 0.000 0.289 359 I C -2.261 173.827 176.117 -0.049 0.000 1.010 359 I CA -2.675 58.590 61.300 -0.059 0.000 1.098 359 I CB 2.133 40.083 38.000 -0.083 0.000 1.266 359 I HN 0.474 nan 8.210 nan 0.000 0.434 360 P HA 0.217 nan 4.420 nan 0.000 0.275 360 P C -0.934 176.162 177.300 -0.339 0.000 1.228 360 P CA -0.515 62.444 63.100 -0.235 0.000 0.786 360 P CB 0.899 32.406 31.700 -0.321 0.000 0.927 361 R N 2.095 122.328 120.500 -0.445 0.000 2.514 361 R HA 0.650 4.901 4.340 -0.149 0.000 0.301 361 R C -1.180 174.795 176.300 -0.542 0.000 0.962 361 R CA -0.391 55.536 56.100 -0.288 0.000 0.882 361 R CB 0.151 30.372 30.300 -0.130 0.000 1.143 361 R HN 0.303 nan 8.270 nan 0.000 0.452 362 F N 1.348 121.296 119.950 -0.004 0.000 2.639 362 F HA 0.466 4.897 4.527 -0.160 0.000 0.339 362 F C 0.584 176.307 175.800 -0.129 0.000 1.071 362 F CA -0.786 57.139 58.000 -0.125 0.000 0.994 362 F CB 2.049 40.946 39.000 -0.173 0.000 1.341 362 F HN 0.546 nan 8.300 nan 0.000 0.498 363 N N -0.131 118.548 118.700 -0.035 0.000 2.598 363 N HA 0.214 4.864 4.740 -0.149 0.000 0.295 363 N C 0.220 175.742 175.510 0.020 0.000 1.729 363 N CA -0.013 53.043 53.050 0.011 0.000 0.877 363 N CB 0.198 38.736 38.487 0.084 0.000 1.405 363 N HN 0.371 nan 8.380 nan 0.000 0.491 364 F N 1.652 121.708 119.950 0.177 0.000 2.250 364 F HA -0.181 4.245 4.527 -0.169 0.000 0.301 364 F C 2.698 178.516 175.800 0.031 0.000 1.077 364 F CA 0.934 58.989 58.000 0.092 0.000 1.348 364 F CB 0.004 39.020 39.000 0.026 0.000 1.040 364 F HN 0.320 nan 8.300 nan 0.000 0.509 365 E N 1.104 121.392 120.200 0.146 0.000 2.409 365 E HA -0.182 4.079 4.350 -0.149 0.000 0.198 365 E C 1.322 177.854 176.600 -0.115 0.000 1.024 365 E CA 1.010 57.423 56.400 0.022 0.000 0.861 365 E CB -0.558 29.143 29.700 0.003 0.000 0.788 365 E HN 0.394 nan 8.360 nan 0.000 0.521 366 K N -0.145 120.093 120.400 -0.270 0.000 2.356 366 K HA 0.114 4.345 4.320 -0.149 0.000 0.195 366 K C -0.164 175.835 176.600 -1.001 0.000 1.037 366 K CA 0.212 56.102 56.287 -0.662 0.000 1.014 366 K CB 0.250 32.202 32.500 -0.913 0.000 0.815 366 K HN 0.089 nan 8.250 nan 0.000 0.507 367 F N -0.040 119.848 119.950 -0.104 0.000 2.523 367 F HA 0.334 4.850 4.527 -0.018 0.000 0.322 367 F C 1.059 176.833 175.800 -0.044 0.000 1.361 367 F CA -0.734 57.199 58.000 -0.111 0.000 1.151 367 F CB 0.574 39.340 39.000 -0.390 0.000 1.391 367 F HN -0.152 nan 8.300 nan 0.000 0.566 368 A N 1.126 123.982 122.820 0.061 0.000 1.927 368 A HA -0.161 4.070 4.320 -0.149 0.000 0.220 368 A C 2.455 180.076 177.584 0.061 0.000 1.185 368 A CA 2.254 54.318 52.037 0.045 0.000 0.639 368 A CB -1.083 17.921 19.000 0.007 0.000 0.820 368 A HN 0.713 nan 8.150 nan 0.000 0.451 369 G N -1.025 107.827 108.800 0.087 0.000 2.534 369 G HA2 0.321 4.191 3.960 -0.149 0.000 0.217 369 G HA3 0.321 4.191 3.960 -0.149 0.000 0.217 369 G C 0.743 175.702 174.900 0.097 0.000 1.128 369 G CA 0.800 45.948 45.100 0.080 0.000 0.784 369 G HN 0.875 nan 8.290 nan 0.000 0.542 370 A N 0.244 123.144 122.820 0.134 0.000 2.332 370 A HA 0.436 4.667 4.320 -0.149 0.000 0.258 370 A C 0.422 178.047 177.584 0.068 0.000 1.087 370 A CA -0.534 51.591 52.037 0.146 0.000 0.802 370 A CB 0.274 19.358 19.000 0.141 0.000 1.042 370 A HN 0.211 nan 8.150 nan 0.000 0.489 371 N N 0.887 119.642 118.700 0.091 0.000 2.405 371 N HA 0.043 4.693 4.740 -0.149 0.000 0.260 371 N C -0.500 174.939 175.510 -0.120 0.000 1.152 371 N CA 0.049 53.099 53.050 -0.000 0.000 0.948 371 N CB 0.836 39.354 38.487 0.052 0.000 1.111 371 N HN 0.563 nan 8.380 nan 0.000 0.485 372 D N 1.998 122.143 120.400 -0.425 0.000 2.388 372 D HA 0.076 4.626 4.640 -0.149 0.000 0.221 372 D C -0.082 175.769 176.300 -0.748 0.000 1.133 372 D CA -0.153 53.161 54.000 -1.143 0.000 0.831 372 D CB 0.172 40.151 40.800 -1.369 0.000 0.962 372 D HN 0.153 nan 8.370 nan 0.000 0.502 373 R N 0.724 121.032 120.500 -0.320 0.000 2.410 373 R HA 0.405 4.655 4.340 -0.149 0.000 0.288 373 R C 0.246 176.516 176.300 -0.049 0.000 1.051 373 R CA -0.661 55.339 56.100 -0.167 0.000 1.021 373 R CB 1.081 31.332 30.300 -0.080 0.000 1.032 373 R HN 0.200 nan 8.270 nan 0.000 0.481 374 L N 1.187 122.406 121.223 -0.006 0.000 2.380 374 L HA 0.307 4.557 4.340 -0.149 0.000 0.273 374 L C 1.228 178.164 176.870 0.109 0.000 1.138 374 L CA 0.146 55.041 54.840 0.092 0.000 0.832 374 L CB 0.958 43.081 42.059 0.107 0.000 1.124 374 L HN 0.632 nan 8.230 nan 0.000 0.454 375 T N -1.230 113.407 114.554 0.137 0.000 2.587 375 T HA 0.169 4.429 4.350 -0.149 0.000 0.282 375 T C 0.935 175.712 174.700 0.129 0.000 1.018 375 T CA 0.375 62.543 62.100 0.112 0.000 1.120 375 T CB 1.184 70.103 68.868 0.085 0.000 1.538 375 T HN 0.724 nan 8.240 nan 0.000 0.480 376 T N -0.489 114.123 114.554 0.095 0.000 3.088 376 T HA 0.169 4.429 4.350 -0.149 0.000 0.259 376 T C 0.717 175.500 174.700 0.138 0.000 1.122 376 T CA 0.430 62.608 62.100 0.131 0.000 1.095 376 T CB -0.137 68.772 68.868 0.067 0.000 0.930 376 T HN 0.519 nan 8.240 nan 0.000 0.508 377 Q N 1.110 120.938 119.800 0.046 0.000 2.303 377 Q HA 0.432 4.682 4.340 -0.149 0.000 0.257 377 Q C -0.656 175.299 176.000 -0.075 0.000 0.941 377 Q CA -0.553 55.220 55.803 -0.051 0.000 0.931 377 Q CB 0.960 29.661 28.738 -0.062 0.000 1.215 377 Q HN 0.424 nan 8.270 nan 0.000 0.437 378 M N 3.372 122.829 119.600 -0.238 0.000 2.245 378 M HA 0.043 4.434 4.480 -0.149 0.000 0.330 378 M C 0.432 176.692 176.300 -0.068 0.000 1.098 378 M CA 1.107 56.319 55.300 -0.147 0.000 1.172 378 M CB 0.547 32.987 32.600 -0.267 0.000 1.467 378 M HN 0.572 nan 8.290 nan 0.000 0.454 379 K N -0.231 120.225 120.400 0.093 0.000 2.554 379 K HA 0.141 4.371 4.320 -0.149 0.000 0.211 379 K C -0.195 176.505 176.600 0.166 0.000 1.226 379 K CA -0.126 56.256 56.287 0.159 0.000 1.025 379 K CB 0.791 33.573 32.500 0.470 0.000 1.021 379 K HN 0.745 nan 8.250 nan 0.000 0.600 380 S N 0.321 116.019 115.700 -0.004 0.000 2.617 380 S HA 0.184 4.564 4.470 -0.149 0.000 0.269 380 S C 1.209 175.674 174.600 -0.224 0.000 1.292 380 S CA -0.712 57.255 58.200 -0.389 0.000 1.010 380 S CB 1.628 64.317 63.200 -0.851 0.000 0.944 380 S HN 0.035 nan 8.310 nan 0.000 0.536 381 V N -1.721 118.057 119.914 -0.227 0.000 3.565 381 V HA 0.630 4.661 4.120 -0.149 0.000 0.260 381 V C 0.782 176.806 176.094 -0.117 0.000 1.231 381 V CA 0.768 62.998 62.300 -0.116 0.000 1.100 381 V CB -0.743 31.051 31.823 -0.048 0.000 0.807 381 V HN 1.142 nan 8.190 nan 0.000 0.454 382 G N 0.387 109.083 108.800 -0.172 0.000 2.634 382 G HA2 0.683 4.554 3.960 -0.149 0.000 0.309 382 G HA3 0.683 4.554 3.960 -0.149 0.000 0.309 382 G C -1.699 173.107 174.900 -0.157 0.000 1.299 382 G CA -0.071 44.953 45.100 -0.128 0.000 0.798 382 G HN 0.664 nan 8.290 nan 0.000 0.490 383 E N -2.097 118.042 120.200 -0.102 0.000 2.388 383 E HA 0.561 4.822 4.350 -0.149 0.000 0.281 383 E C -2.039 174.542 176.600 -0.033 0.000 1.046 383 E CA -0.916 55.435 56.400 -0.081 0.000 0.825 383 E CB 2.189 31.848 29.700 -0.069 0.000 1.243 383 E HN 0.852 nan 8.360 nan 0.000 0.438 384 V N 2.092 122.002 119.914 -0.007 0.000 2.960 384 V HA 0.788 4.818 4.120 -0.149 0.000 0.315 384 V C -1.080 175.062 176.094 0.080 0.000 1.087 384 V CA -0.733 61.589 62.300 0.037 0.000 0.982 384 V CB 1.993 33.831 31.823 0.026 0.000 1.039 384 V HN 0.845 nan 8.190 nan 0.000 0.437 385 M N 5.055 124.772 119.600 0.195 0.000 2.550 385 M HA 0.911 5.302 4.480 -0.149 0.000 0.292 385 M C -1.350 175.131 176.300 0.301 0.000 1.221 385 M CA -0.412 55.011 55.300 0.205 0.000 0.873 385 M CB 2.154 34.871 32.600 0.195 0.000 1.727 385 M HN 0.922 nan 8.290 nan 0.000 0.459 386 A N 3.750 126.635 122.820 0.109 0.000 2.539 386 A HA 0.849 5.079 4.320 -0.149 0.000 0.296 386 A C -1.627 175.908 177.584 -0.081 0.000 1.073 386 A CA -0.799 51.295 52.037 0.094 0.000 0.700 386 A CB 1.553 20.599 19.000 0.076 0.000 1.296 386 A HN 0.857 nan 8.150 nan 0.000 0.405 387 I N 0.909 121.392 120.570 -0.147 0.000 2.474 387 I HA 0.708 4.788 4.170 -0.149 0.000 0.294 387 I C 0.468 176.407 176.117 -0.297 0.000 1.005 387 I CA -0.628 60.414 61.300 -0.430 0.000 1.113 387 I CB 2.218 39.629 38.000 -0.981 0.000 1.289 387 I HN 0.812 nan 8.210 nan 0.000 0.436 388 G N 3.793 112.444 108.800 -0.248 0.000 2.690 388 G HA2 0.381 4.252 3.960 -0.149 0.000 0.293 388 G HA3 0.381 4.252 3.960 -0.149 0.000 0.293 388 G C 0.066 175.003 174.900 0.060 0.000 1.399 388 G CA -0.500 44.583 45.100 -0.028 0.000 0.890 388 G HN 0.467 nan 8.290 nan 0.000 0.485 389 R N -0.706 119.899 120.500 0.176 0.000 2.236 389 R HA 0.066 4.317 4.340 -0.149 0.000 0.208 389 R C 1.025 177.424 176.300 0.164 0.000 1.036 389 R CA 1.266 57.494 56.100 0.214 0.000 1.001 389 R CB -0.072 30.360 30.300 0.222 0.000 0.896 389 R HN 0.723 nan 8.270 nan 0.000 0.464 390 T N -4.243 110.397 114.554 0.143 0.000 2.900 390 T HA 0.170 4.431 4.350 -0.149 0.000 0.303 390 T C 0.667 175.449 174.700 0.137 0.000 1.142 390 T CA -0.856 61.326 62.100 0.137 0.000 1.007 390 T CB 2.412 71.344 68.868 0.108 0.000 1.156 390 T HN -0.195 nan 8.240 nan 0.000 0.490 391 Q N 0.866 120.772 119.800 0.177 0.000 2.112 391 Q HA -0.182 4.069 4.340 -0.149 0.000 0.206 391 Q C 2.135 178.212 176.000 0.128 0.000 0.987 391 Q CA 2.253 58.183 55.803 0.211 0.000 0.858 391 Q CB -0.470 28.445 28.738 0.295 0.000 0.905 391 Q HN 0.832 nan 8.270 nan 0.000 0.420 392 Q N -0.517 119.324 119.800 0.068 0.000 2.079 392 Q HA -0.174 4.077 4.340 -0.149 0.000 0.200 392 Q C 2.020 178.029 176.000 0.016 0.000 0.974 392 Q CA 1.495 57.316 55.803 0.030 0.000 0.840 392 Q CB -0.108 28.625 28.738 -0.008 0.000 0.898 392 Q HN 0.581 nan 8.270 nan 0.000 0.430 393 E N -0.018 120.206 120.200 0.041 0.000 2.047 393 E HA -0.190 4.071 4.350 -0.149 0.000 0.191 393 E C 2.057 178.681 176.600 0.041 0.000 0.987 393 E CA 1.256 57.684 56.400 0.046 0.000 0.799 393 E CB -0.093 29.664 29.700 0.095 0.000 0.752 393 E HN 0.145 nan 8.360 nan 0.000 0.449 394 S N -0.017 115.715 115.700 0.053 0.000 2.370 394 S HA -0.179 4.201 4.470 -0.149 0.000 0.226 394 S C 1.998 176.605 174.600 0.012 0.000 1.033 394 S CA 1.269 59.489 58.200 0.034 0.000 1.011 394 S CB -0.362 62.870 63.200 0.054 0.000 0.852 394 S HN 0.383 nan 8.310 nan 0.000 0.457 395 L N 1.598 122.830 121.223 0.015 0.000 2.027 395 L HA -0.024 4.227 4.340 -0.149 0.000 0.206 395 L C 2.451 179.255 176.870 -0.110 0.000 1.074 395 L CA 1.908 56.725 54.840 -0.039 0.000 0.745 395 L CB -0.814 41.252 42.059 0.011 0.000 0.898 395 L HN 0.353 nan 8.230 nan 0.000 0.433 396 Q N -0.488 119.253 119.800 -0.098 0.000 2.119 396 Q HA -0.197 4.054 4.340 -0.149 0.000 0.201 396 Q C 2.181 178.124 176.000 -0.094 0.000 0.972 396 Q CA 1.514 57.221 55.803 -0.160 0.000 0.847 396 Q CB -0.086 28.546 28.738 -0.178 0.000 0.903 396 Q HN 0.574 nan 8.270 nan 0.000 0.433 397 K N 0.775 121.157 120.400 -0.030 0.000 2.026 397 K HA -0.126 4.104 4.320 -0.149 0.000 0.208 397 K C 2.179 178.784 176.600 0.008 0.000 1.048 397 K CA 1.202 57.500 56.287 0.019 0.000 0.929 397 K CB -0.239 32.301 32.500 0.066 0.000 0.713 397 K HN 0.117 nan 8.250 nan 0.000 0.439 398 A N 1.628 124.440 122.820 -0.013 0.000 1.892 398 A HA -0.191 4.040 4.320 -0.149 0.000 0.218 398 A C 2.168 179.725 177.584 -0.044 0.000 1.188 398 A CA 1.473 53.499 52.037 -0.018 0.000 0.631 398 A CB -0.804 18.168 19.000 -0.047 0.000 0.822 398 A HN 0.185 nan 8.150 nan 0.000 0.447 399 L N -0.543 120.612 121.223 -0.115 0.000 2.046 399 L HA -0.223 4.027 4.340 -0.149 0.000 0.208 399 L C 2.826 179.690 176.870 -0.011 0.000 1.077 399 L CA 1.908 56.679 54.840 -0.115 0.000 0.747 399 L CB -0.455 41.419 42.059 -0.309 0.000 0.896 399 L HN 0.635 nan 8.230 nan 0.000 0.432 400 R N 0.036 120.522 120.500 -0.023 0.000 2.235 400 R HA -0.024 4.227 4.340 -0.149 0.000 0.213 400 R C 1.664 177.978 176.300 0.023 0.000 1.059 400 R CA 1.144 57.252 56.100 0.012 0.000 0.997 400 R CB -0.424 29.886 30.300 0.017 0.000 0.884 400 R HN 0.222 nan 8.270 nan 0.000 0.462 401 G N 0.570 109.383 108.800 0.023 0.000 3.233 401 G HA2 0.016 3.886 3.960 -0.149 0.000 0.234 401 G HA3 0.016 3.886 3.960 -0.149 0.000 0.234 401 G C 0.892 175.803 174.900 0.019 0.000 1.137 401 G CA -0.399 44.715 45.100 0.024 0.000 0.763 401 G HN 0.188 nan 8.290 nan 0.000 0.549 402 L N 0.257 121.500 121.223 0.034 0.000 2.376 402 L HA 0.161 4.411 4.340 -0.149 0.000 0.219 402 L C 1.181 178.071 176.870 0.033 0.000 1.133 402 L CA 0.796 55.664 54.840 0.048 0.000 0.816 402 L CB -0.196 41.929 42.059 0.110 0.000 0.933 402 L HN 0.208 nan 8.230 nan 0.000 0.449 403 E N -1.201 119.009 120.200 0.016 0.000 2.868 403 E HA -0.183 4.078 4.350 -0.149 0.000 0.278 403 E C 0.911 177.506 176.600 -0.008 0.000 1.009 403 E CA 0.983 57.379 56.400 -0.007 0.000 0.856 403 E CB -2.216 27.470 29.700 -0.023 0.000 1.428 403 E HN 0.464 nan 8.360 nan 0.000 0.423 404 V N -4.212 115.703 119.914 0.002 0.000 3.427 404 V HA 0.617 4.647 4.120 -0.149 0.000 0.305 404 V C 1.350 177.395 176.094 -0.081 0.000 1.412 404 V CA 0.968 63.250 62.300 -0.031 0.000 1.086 404 V CB 0.717 32.524 31.823 -0.027 0.000 0.964 404 V HN 0.543 nan 8.190 nan 0.000 0.439 405 G N 0.009 108.775 108.800 -0.057 0.000 2.176 405 G HA2 -0.033 3.837 3.960 -0.149 0.000 0.232 405 G HA3 -0.033 3.837 3.960 -0.149 0.000 0.232 405 G C 0.366 175.223 174.900 -0.072 0.000 0.986 405 G CA 0.137 45.195 45.100 -0.070 0.000 0.643 405 G HN 1.586 nan 8.290 nan 0.000 0.522 406 A N 0.127 122.919 122.820 -0.047 0.000 2.340 406 A HA 0.774 5.004 4.320 -0.149 0.000 0.268 406 A C 1.396 179.002 177.584 0.037 0.000 1.100 406 A CA 1.174 53.215 52.037 0.007 0.000 0.803 406 A CB 0.632 19.734 19.000 0.170 0.000 1.043 406 A HN 1.396 nan 8.150 nan 0.000 0.488 407 T N -1.529 113.056 114.554 0.052 0.000 3.010 407 T HA 0.538 4.799 4.350 -0.149 0.000 0.257 407 T C 0.914 175.644 174.700 0.050 0.000 1.020 407 T CA 0.977 63.109 62.100 0.053 0.000 0.938 407 T CB 0.080 68.986 68.868 0.064 0.000 1.049 407 T HN 2.120 nan 8.240 nan 0.000 0.522 408 G N 1.362 110.185 108.800 0.038 0.000 2.374 408 G HA2 0.179 4.050 3.960 -0.149 0.000 0.067 408 G HA3 0.179 4.050 3.960 -0.149 0.000 0.067 408 G C -1.215 173.630 174.900 -0.092 0.000 1.023 408 G CA -0.770 44.258 45.100 -0.120 0.000 1.131 408 G HN 0.184 nan 8.290 nan 0.000 0.436 409 F N 3.881 123.946 119.950 0.193 0.000 2.733 409 F HA 0.288 4.726 4.527 -0.148 0.000 0.344 409 F C 0.455 176.430 175.800 0.292 0.000 1.179 409 F CA -0.490 57.668 58.000 0.263 0.000 1.316 409 F CB -0.076 39.009 39.000 0.142 0.000 1.577 409 F HN 0.045 nan 8.300 nan 0.000 0.591 410 D N 2.401 123.024 120.400 0.371 0.000 2.423 410 D HA 0.055 4.605 4.640 -0.149 0.000 0.238 410 D C -2.205 174.189 176.300 0.157 0.000 1.142 410 D CA -0.907 53.199 54.000 0.176 0.000 0.884 410 D CB 0.588 41.401 40.800 0.022 0.000 1.199 410 D HN 0.094 nan 8.370 nan 0.000 0.438 411 P HA 0.132 nan 4.420 nan 0.000 0.275 411 P C 0.240 177.496 177.300 -0.072 0.000 1.227 411 P CA -0.261 62.861 63.100 0.037 0.000 0.781 411 P CB 0.980 32.702 31.700 0.038 0.000 0.906 412 K N 1.197 121.506 120.400 -0.151 0.000 2.287 412 K HA 0.123 4.353 4.320 -0.149 0.000 0.199 412 K C 0.352 176.879 176.600 -0.122 0.000 1.061 412 K CA 0.692 56.808 56.287 -0.284 0.000 0.976 412 K CB 0.197 32.203 32.500 -0.823 0.000 0.898 412 K HN 0.396 nan 8.250 nan 0.000 0.492 413 V N -1.955 117.932 119.914 -0.046 0.000 3.046 413 V HA 0.553 4.584 4.120 -0.149 0.000 0.316 413 V C -0.149 175.964 176.094 0.032 0.000 1.104 413 V CA -1.271 61.054 62.300 0.042 0.000 1.006 413 V CB 1.645 33.539 31.823 0.119 0.000 1.058 413 V HN -0.057 nan 8.190 nan 0.000 0.440 414 S N 0.270 115.992 115.700 0.036 0.000 2.585 414 S HA 0.520 4.901 4.470 -0.149 0.000 0.277 414 S C 0.856 175.478 174.600 0.037 0.000 1.241 414 S CA -0.688 57.531 58.200 0.031 0.000 1.041 414 S CB 0.840 64.055 63.200 0.024 0.000 0.987 414 S HN 0.718 nan 8.310 nan 0.000 0.512 415 L N 2.606 123.850 121.223 0.036 0.000 2.131 415 L HA -0.090 4.161 4.340 -0.149 0.000 0.210 415 L C 1.607 178.496 176.870 0.032 0.000 1.092 415 L CA 1.555 56.418 54.840 0.038 0.000 0.759 415 L CB -0.565 41.517 42.059 0.037 0.000 0.903 415 L HN 0.729 nan 8.230 nan 0.000 0.435 416 D N -1.901 118.515 120.400 0.027 0.000 2.347 416 D HA -0.112 4.438 4.640 -0.149 0.000 0.215 416 D C 0.736 177.049 176.300 0.022 0.000 0.976 416 D CA 0.092 54.105 54.000 0.023 0.000 0.884 416 D CB -0.348 40.463 40.800 0.019 0.000 0.915 416 D HN 0.068 nan 8.370 nan 0.000 0.526 417 D N 1.406 121.821 120.400 0.026 0.000 2.368 417 D HA -0.010 4.541 4.640 -0.149 0.000 0.268 417 D C -1.110 175.205 176.300 0.025 0.000 1.298 417 D CA -1.744 52.272 54.000 0.026 0.000 0.938 417 D CB 1.148 41.968 40.800 0.033 0.000 1.101 417 D HN 0.006 nan 8.370 nan 0.000 0.509 418 P HA -0.125 nan 4.420 nan 0.000 0.218 418 P C 0.599 177.909 177.300 0.017 0.000 1.148 418 P CA 1.043 64.153 63.100 0.017 0.000 0.822 418 P CB 0.351 32.058 31.700 0.013 0.000 0.784 419 E N -0.908 119.303 120.200 0.018 0.000 2.479 419 E HA 0.175 4.436 4.350 -0.149 0.000 0.193 419 E C 1.951 178.565 176.600 0.023 0.000 1.049 419 E CA 0.110 56.519 56.400 0.015 0.000 0.870 419 E CB -0.146 29.559 29.700 0.010 0.000 0.944 419 E HN 0.133 nan 8.360 nan 0.000 0.492 420 A N 1.112 123.953 122.820 0.035 0.000 1.948 420 A HA -0.202 4.029 4.320 -0.149 0.000 0.220 420 A C 2.084 179.698 177.584 0.051 0.000 1.177 420 A CA 1.106 53.176 52.037 0.055 0.000 0.636 420 A CB -0.471 18.566 19.000 0.061 0.000 0.815 420 A HN 0.210 nan 8.150 nan 0.000 0.449 421 L N -1.268 119.975 121.223 0.034 0.000 2.093 421 L HA -0.143 4.107 4.340 -0.149 0.000 0.208 421 L C 2.819 179.694 176.870 0.008 0.000 1.085 421 L CA 1.711 56.566 54.840 0.026 0.000 0.755 421 L CB -0.641 41.431 42.059 0.021 0.000 0.904 421 L HN 0.339 nan 8.230 nan 0.000 0.435 422 T N -0.616 113.938 114.554 0.000 0.000 2.708 422 T HA -0.246 4.014 4.350 -0.149 0.000 0.266 422 T C 1.892 176.569 174.700 -0.040 0.000 1.037 422 T CA 1.739 63.828 62.100 -0.019 0.000 1.146 422 T CB -0.050 68.808 68.868 -0.017 0.000 0.865 422 T HN 0.191 nan 8.240 nan 0.000 0.435 423 K N 0.899 121.283 120.400 -0.027 0.000 2.057 423 K HA 0.008 4.238 4.320 -0.149 0.000 0.207 423 K C 2.079 178.590 176.600 -0.148 0.000 1.049 423 K CA 1.331 57.577 56.287 -0.068 0.000 0.931 423 K CB -0.441 32.057 32.500 -0.002 0.000 0.714 423 K HN 0.326 nan 8.250 nan 0.000 0.440 424 I N 0.602 121.154 120.570 -0.029 0.000 2.179 424 I HA -0.261 3.820 4.170 -0.149 0.000 0.242 424 I C 2.772 178.842 176.117 -0.077 0.000 1.088 424 I CA 1.286 62.592 61.300 0.010 0.000 1.357 424 I CB -0.337 37.723 38.000 0.100 0.000 1.051 424 I HN 0.260 nan 8.210 nan 0.000 0.409 425 R N 0.994 121.457 120.500 -0.061 0.000 2.091 425 R HA -0.223 4.027 4.340 -0.149 0.000 0.238 425 R C 2.578 178.818 176.300 -0.099 0.000 1.136 425 R CA 1.448 57.509 56.100 -0.065 0.000 0.959 425 R CB -0.244 30.029 30.300 -0.046 0.000 0.856 425 R HN 0.207 nan 8.270 nan 0.000 0.437 426 R N 0.793 121.213 120.500 -0.133 0.000 2.075 426 R HA -0.103 4.148 4.340 -0.149 0.000 0.232 426 R C 1.547 177.733 176.300 -0.190 0.000 1.126 426 R CA 1.535 57.544 56.100 -0.151 0.000 0.963 426 R CB -0.246 29.963 30.300 -0.152 0.000 0.858 426 R HN 0.240 nan 8.270 nan 0.000 0.435 427 E N 0.735 120.757 120.200 -0.297 0.000 2.106 427 E HA -0.136 4.124 4.350 -0.149 0.000 0.192 427 E C 2.021 178.532 176.600 -0.149 0.000 0.984 427 E CA 0.671 56.863 56.400 -0.347 0.000 0.806 427 E CB -0.173 28.997 29.700 -0.884 0.000 0.750 427 E HN 0.172 nan 8.360 nan 0.000 0.458 428 L N 1.332 122.490 121.223 -0.109 0.000 2.023 428 L HA -0.102 4.148 4.340 -0.149 0.000 0.205 428 L C 2.399 179.235 176.870 -0.057 0.000 1.073 428 L CA 1.645 56.456 54.840 -0.048 0.000 0.745 428 L CB -0.701 41.330 42.059 -0.047 0.000 0.900 428 L HN 0.031 nan 8.230 nan 0.000 0.435 429 K N -0.781 119.574 120.400 -0.075 0.000 2.148 429 K HA -0.103 4.128 4.320 -0.149 0.000 0.204 429 K C -0.359 176.199 176.600 -0.069 0.000 1.050 429 K CA 1.235 57.479 56.287 -0.073 0.000 0.942 429 K CB 0.134 32.587 32.500 -0.078 0.000 0.724 429 K HN 0.291 nan 8.250 nan 0.000 0.446 430 D N 1.052 121.404 120.400 -0.080 0.000 2.412 430 D HA 0.166 4.716 4.640 -0.149 0.000 0.276 430 D C -1.103 175.157 176.300 -0.066 0.000 1.196 430 D CA -0.146 53.811 54.000 -0.071 0.000 0.905 430 D CB 1.274 42.016 40.800 -0.098 0.000 1.081 430 D HN 0.240 nan 8.370 nan 0.000 0.502 431 A N 1.239 124.041 122.820 -0.030 0.000 2.587 431 A HA 0.456 4.686 4.320 -0.149 0.000 0.235 431 A C 0.912 178.467 177.584 -0.048 0.000 1.044 431 A CA 0.511 52.540 52.037 -0.013 0.000 0.754 431 A CB 0.419 19.439 19.000 0.034 0.000 0.968 431 A HN 0.483 nan 8.150 nan 0.000 0.509 432 G N -0.658 108.107 108.800 -0.060 0.000 3.013 432 G HA2 0.581 4.451 3.960 -0.149 0.000 0.278 432 G HA3 0.581 4.451 3.960 -0.149 0.000 0.278 432 G C 0.820 175.662 174.900 -0.095 0.000 1.353 432 G CA 0.052 45.072 45.100 -0.133 0.000 1.043 432 G HN 1.392 nan 8.290 nan 0.000 0.523 433 A N -0.930 121.779 122.820 -0.184 0.000 2.172 433 A HA 0.089 4.319 4.320 -0.149 0.000 0.216 433 A C 1.459 179.200 177.584 0.263 0.000 1.154 433 A CA 1.721 53.651 52.037 -0.179 0.000 0.701 433 A CB -0.117 18.719 19.000 -0.274 0.000 0.789 433 A HN 0.396 nan 8.150 nan 0.000 0.465 434 D N -1.268 119.329 120.400 0.327 0.000 2.349 434 D HA 0.051 4.602 4.640 -0.149 0.000 0.214 434 D C 1.748 178.420 176.300 0.621 0.000 1.063 434 D CA 0.058 54.445 54.000 0.645 0.000 0.847 434 D CB -0.145 40.974 40.800 0.532 0.000 0.933 434 D HN 0.491 nan 8.370 nan 0.000 0.513 435 R N 0.738 121.457 120.500 0.364 0.000 2.140 435 R HA -0.226 4.024 4.340 -0.149 0.000 0.250 435 R C 1.994 178.433 176.300 0.231 0.000 1.150 435 R CA 1.226 57.500 56.100 0.290 0.000 0.966 435 R CB -0.410 29.989 30.300 0.166 0.000 0.869 435 R HN 0.121 nan 8.270 nan 0.000 0.445 436 I N 0.194 120.785 120.570 0.035 0.000 2.315 436 I HA -0.282 3.799 4.170 -0.149 0.000 0.251 436 I C 1.557 177.591 176.117 -0.139 0.000 1.125 436 I CA 1.459 62.647 61.300 -0.186 0.000 1.392 436 I CB -0.237 37.392 38.000 -0.617 0.000 1.065 436 I HN 0.325 nan 8.210 nan 0.000 0.424 437 W N -0.761 120.635 121.300 0.160 0.000 2.443 437 W HA -0.145 4.429 4.660 -0.143 0.000 0.296 437 W C 2.544 179.061 176.519 -0.002 0.000 1.202 437 W CA 0.807 58.204 57.345 0.087 0.000 1.312 437 W CB -1.309 28.099 29.460 -0.087 0.000 1.120 437 W HN 0.177 nan 8.180 nan 0.000 0.536 438 Y N 0.540 121.000 120.300 0.267 0.000 2.333 438 Y HA -0.195 4.263 4.550 -0.154 0.000 0.290 438 Y C 2.425 178.329 175.900 0.007 0.000 1.144 438 Y CA 1.096 59.269 58.100 0.122 0.000 1.228 438 Y CB -0.640 37.873 38.460 0.088 0.000 0.985 438 Y HN -0.170 nan 8.280 nan 0.000 0.542 439 I N -0.744 119.895 120.570 0.115 0.000 2.163 439 I HA -0.333 3.747 4.170 -0.149 0.000 0.240 439 I C 2.606 178.537 176.117 -0.311 0.000 1.081 439 I CA 1.198 62.433 61.300 -0.109 0.000 1.353 439 I CB -0.656 37.350 38.000 0.009 0.000 1.054 439 I HN 0.177 nan 8.210 nan 0.000 0.407 440 A N 0.240 122.997 122.820 -0.106 0.000 1.933 440 A HA -0.245 3.986 4.320 -0.149 0.000 0.218 440 A C 1.900 179.476 177.584 -0.013 0.000 1.175 440 A CA 1.988 53.986 52.037 -0.065 0.000 0.628 440 A CB -0.587 18.363 19.000 -0.083 0.000 0.814 440 A HN 0.369 nan 8.150 nan 0.000 0.444 441 D N -0.135 120.272 120.400 0.012 0.000 2.264 441 D HA 0.011 4.561 4.640 -0.149 0.000 0.208 441 D C 2.113 178.413 176.300 -0.001 0.000 0.966 441 D CA 1.147 55.169 54.000 0.036 0.000 0.864 441 D CB -0.192 40.638 40.800 0.049 0.000 0.933 441 D HN 0.454 nan 8.370 nan 0.000 0.499 442 A N 0.249 122.987 122.820 -0.137 0.000 1.898 442 A HA -0.130 4.100 4.320 -0.149 0.000 0.216 442 A C 1.852 179.355 177.584 -0.134 0.000 1.181 442 A CA 0.804 52.721 52.037 -0.201 0.000 0.620 442 A CB -0.752 18.010 19.000 -0.397 0.000 0.819 442 A HN 0.094 nan 8.150 nan 0.000 0.442 443 F N 0.300 120.273 119.950 0.038 0.000 2.134 443 F HA -0.091 4.348 4.527 -0.148 0.000 0.299 443 F C 2.477 178.292 175.800 0.025 0.000 1.097 443 F CA 1.250 59.262 58.000 0.020 0.000 1.264 443 F CB -0.794 38.200 39.000 -0.009 0.000 1.001 443 F HN 0.134 nan 8.300 nan 0.000 0.479 444 R N 0.136 120.751 120.500 0.192 0.000 2.127 444 R HA -0.075 4.175 4.340 -0.149 0.000 0.238 444 R C 2.140 178.499 176.300 0.100 0.000 1.134 444 R CA 1.242 57.420 56.100 0.129 0.000 0.975 444 R CB -0.748 29.614 30.300 0.103 0.000 0.865 444 R HN 0.260 nan 8.270 nan 0.000 0.447 445 A N 0.155 123.028 122.820 0.089 0.000 2.238 445 A HA 0.227 4.458 4.320 -0.149 0.000 0.208 445 A C 1.333 178.962 177.584 0.075 0.000 1.177 445 A CA 0.677 52.756 52.037 0.070 0.000 0.804 445 A CB -0.025 19.008 19.000 0.056 0.000 0.823 445 A HN 0.450 nan 8.150 nan 0.000 0.482 446 G N -1.100 107.764 108.800 0.106 0.000 2.149 446 G HA2 -0.191 3.679 3.960 -0.149 0.000 0.235 446 G HA3 -0.191 3.679 3.960 -0.149 0.000 0.235 446 G C -0.005 174.963 174.900 0.113 0.000 1.018 446 G CA 0.222 45.386 45.100 0.107 0.000 0.728 446 G HN 0.417 nan 8.290 nan 0.000 0.508 447 L N 1.377 122.678 121.223 0.130 0.000 2.395 447 L HA 0.564 4.815 4.340 -0.149 0.000 0.269 447 L C 1.409 178.406 176.870 0.212 0.000 1.133 447 L CA 0.000 54.909 54.840 0.115 0.000 0.812 447 L CB 1.359 43.443 42.059 0.042 0.000 1.125 447 L HN 0.471 nan 8.230 nan 0.000 0.452 448 S N 1.359 117.164 115.700 0.175 0.000 2.632 448 S HA 0.190 4.570 4.470 -0.149 0.000 0.271 448 S C 1.059 175.832 174.600 0.289 0.000 1.260 448 S CA -0.926 57.397 58.200 0.205 0.000 1.010 448 S CB 1.720 64.992 63.200 0.119 0.000 0.965 448 S HN 0.355 nan 8.310 nan 0.000 0.534 449 V N 1.609 121.688 119.914 0.276 0.000 2.380 449 V HA -0.199 3.832 4.120 -0.149 0.000 0.251 449 V C 2.117 178.360 176.094 0.248 0.000 1.063 449 V CA 2.450 64.926 62.300 0.293 0.000 1.055 449 V CB -0.977 30.907 31.823 0.101 0.000 0.657 449 V HN 0.877 nan 8.190 nan 0.000 0.455 450 D N 0.203 120.705 120.400 0.169 0.000 2.117 450 D HA -0.080 4.470 4.640 -0.149 0.000 0.198 450 D C 2.205 178.640 176.300 0.224 0.000 0.982 450 D CA 1.513 55.615 54.000 0.170 0.000 0.828 450 D CB -0.666 40.191 40.800 0.096 0.000 0.967 450 D HN 0.452 nan 8.370 nan 0.000 0.464 451 G N 0.479 109.380 108.800 0.168 0.000 2.418 451 G HA2 -0.213 3.658 3.960 -0.149 0.000 0.217 451 G HA3 -0.213 3.658 3.960 -0.149 0.000 0.217 451 G C 1.830 176.799 174.900 0.116 0.000 1.158 451 G CA 0.796 45.972 45.100 0.127 0.000 0.771 451 G HN 0.240 nan 8.290 nan 0.000 0.545 452 V N 0.361 120.361 119.914 0.144 0.000 2.407 452 V HA -0.113 3.918 4.120 -0.149 0.000 0.248 452 V C 2.302 178.452 176.094 0.092 0.000 1.055 452 V CA 1.787 64.138 62.300 0.084 0.000 1.049 452 V CB -0.582 31.282 31.823 0.070 0.000 0.662 452 V HN 0.417 nan 8.190 nan 0.000 0.455 453 F N 1.831 121.818 119.950 0.062 0.000 2.102 453 F HA -0.178 4.261 4.527 -0.148 0.000 0.298 453 F C 2.334 178.157 175.800 0.037 0.000 1.105 453 F CA 1.923 59.953 58.000 0.050 0.000 1.239 453 F CB -0.376 38.660 39.000 0.060 0.000 0.991 453 F HN 0.172 nan 8.300 nan 0.000 0.474 454 N N 0.888 119.626 118.700 0.063 0.000 2.205 454 N HA -0.165 4.485 4.740 -0.149 0.000 0.186 454 N C 1.934 177.354 175.510 -0.150 0.000 1.015 454 N CA 1.651 54.673 53.050 -0.045 0.000 0.862 454 N CB -0.456 38.087 38.487 0.093 0.000 0.986 454 N HN 0.392 nan 8.380 nan 0.000 0.429 455 L N 0.028 121.185 121.223 -0.110 0.000 2.162 455 L HA -0.037 4.213 4.340 -0.149 0.000 0.205 455 L C 2.312 179.100 176.870 -0.136 0.000 1.086 455 L CA 1.341 56.122 54.840 -0.098 0.000 0.778 455 L CB -0.393 41.631 42.059 -0.059 0.000 0.928 455 L HN 0.274 nan 8.230 nan 0.000 0.446 456 T N -5.333 109.112 114.554 -0.182 0.000 3.023 456 T HA 0.107 4.367 4.350 -0.149 0.000 0.249 456 T C 0.858 175.405 174.700 -0.256 0.000 1.050 456 T CA 0.521 62.521 62.100 -0.166 0.000 1.088 456 T CB -0.049 68.751 68.868 -0.113 0.000 0.946 456 T HN 0.317 nan 8.240 nan 0.000 0.480 457 N N 0.310 118.693 118.700 -0.528 0.000 2.878 457 N HA -0.113 4.538 4.740 -0.149 0.000 0.247 457 N C -0.810 174.533 175.510 -0.278 0.000 1.021 457 N CA 0.538 53.207 53.050 -0.635 0.000 0.873 457 N CB -1.827 36.487 38.487 -0.288 0.000 1.128 457 N HN 0.552 nan 8.380 nan 0.000 0.571 458 I N 1.178 121.634 120.570 -0.190 0.000 2.416 458 I HA 0.016 4.096 4.170 -0.149 0.000 0.288 458 I C 0.854 177.109 176.117 0.229 0.000 1.051 458 I CA -0.158 61.067 61.300 -0.126 0.000 1.375 458 I CB 0.410 38.161 38.000 -0.415 0.000 1.407 458 I HN 0.146 nan 8.210 nan 0.000 0.516 459 D N 6.440 127.039 120.400 0.331 0.000 2.583 459 D HA -0.081 4.469 4.640 -0.149 0.000 0.232 459 D C 1.210 177.707 176.300 0.328 0.000 1.128 459 D CA 0.406 54.642 54.000 0.393 0.000 0.859 459 D CB 0.803 41.783 40.800 0.299 0.000 1.169 459 D HN 0.489 nan 8.370 nan 0.000 0.481 460 R N 2.927 123.540 120.500 0.189 0.000 2.170 460 R HA -0.207 4.043 4.340 -0.149 0.000 0.242 460 R C 1.937 178.283 176.300 0.076 0.000 1.145 460 R CA 1.244 57.406 56.100 0.103 0.000 0.984 460 R CB -0.188 30.080 30.300 -0.053 0.000 0.869 460 R HN 0.656 nan 8.270 nan 0.000 0.455 461 W N 0.820 122.033 121.300 -0.144 0.000 2.325 461 W HA -0.222 4.348 4.660 -0.150 0.000 0.299 461 W C 1.248 177.606 176.519 -0.269 0.000 1.215 461 W CA 1.503 58.689 57.345 -0.265 0.000 1.244 461 W CB -0.180 29.029 29.460 -0.420 0.000 1.140 461 W HN -0.034 nan 8.180 nan 0.000 0.523 462 F N -0.348 119.741 119.950 0.233 0.000 2.179 462 F HA -0.046 4.393 4.527 -0.147 0.000 0.292 462 F C 2.258 178.106 175.800 0.080 0.000 1.089 462 F CA 1.244 59.334 58.000 0.149 0.000 1.295 462 F CB -1.275 37.873 39.000 0.246 0.000 1.041 462 F HN -0.249 nan 8.300 nan 0.000 0.487 463 L N 0.194 121.594 121.223 0.295 0.000 2.042 463 L HA -0.196 4.054 4.340 -0.149 0.000 0.210 463 L C 2.587 179.504 176.870 0.078 0.000 1.076 463 L CA 1.406 56.413 54.840 0.279 0.000 0.749 463 L CB -1.075 41.175 42.059 0.319 0.000 0.893 463 L HN 0.174 nan 8.230 nan 0.000 0.432 464 V N -2.533 117.347 119.914 -0.056 0.000 2.490 464 V HA -0.275 3.755 4.120 -0.149 0.000 0.250 464 V C 2.189 178.150 176.094 -0.222 0.000 1.061 464 V CA 1.520 63.705 62.300 -0.192 0.000 1.064 464 V CB -0.855 30.854 31.823 -0.190 0.000 0.670 464 V HN 0.524 nan 8.190 nan 0.000 0.461 465 Q N 0.265 119.948 119.800 -0.194 0.000 2.119 465 Q HA -0.035 4.215 4.340 -0.149 0.000 0.201 465 Q C 2.346 178.276 176.000 -0.117 0.000 0.972 465 Q CA 2.108 57.807 55.803 -0.174 0.000 0.847 465 Q CB -0.315 28.291 28.738 -0.220 0.000 0.903 465 Q HN 0.664 nan 8.270 nan 0.000 0.433 466 I N 0.864 121.398 120.570 -0.060 0.000 2.202 466 I HA -0.249 3.831 4.170 -0.149 0.000 0.242 466 I C 2.523 178.526 176.117 -0.191 0.000 1.091 466 I CA 1.102 62.330 61.300 -0.121 0.000 1.368 466 I CB -0.282 37.739 38.000 0.036 0.000 1.058 466 I HN 0.274 nan 8.210 nan 0.000 0.410 467 E N 1.117 121.066 120.200 -0.418 0.000 2.070 467 E HA -0.333 3.928 4.350 -0.149 0.000 0.197 467 E C 2.096 178.494 176.600 -0.336 0.000 1.004 467 E CA 1.858 57.786 56.400 -0.785 0.000 0.805 467 E CB -0.043 28.940 29.700 -1.196 0.000 0.744 467 E HN 0.471 nan 8.360 nan 0.000 0.451 468 E N 0.309 120.372 120.200 -0.227 0.000 2.058 468 E HA -0.222 4.038 4.350 -0.149 0.000 0.194 468 E C 2.308 178.906 176.600 -0.003 0.000 0.997 468 E CA 1.303 57.640 56.400 -0.104 0.000 0.801 468 E CB -0.154 29.494 29.700 -0.087 0.000 0.746 468 E HN 0.316 nan 8.360 nan 0.000 0.450 469 L N 0.365 121.585 121.223 -0.005 0.000 2.042 469 L HA -0.213 4.037 4.340 -0.149 0.000 0.210 469 L C 2.608 179.608 176.870 0.216 0.000 1.076 469 L CA 0.975 55.899 54.840 0.141 0.000 0.749 469 L CB -0.533 41.499 42.059 -0.045 0.000 0.893 469 L HN 0.134 nan 8.230 nan 0.000 0.432 470 V N -0.164 119.783 119.914 0.056 0.000 2.332 470 V HA -0.253 3.777 4.120 -0.149 0.000 0.248 470 V C 2.709 178.857 176.094 0.089 0.000 1.055 470 V CA 1.628 63.982 62.300 0.090 0.000 1.038 470 V CB -0.656 31.225 31.823 0.097 0.000 0.651 470 V HN 0.446 nan 8.190 nan 0.000 0.450 471 R N -0.365 120.162 120.500 0.045 0.000 2.092 471 R HA 0.002 4.252 4.340 -0.149 0.000 0.231 471 R C 2.203 178.545 176.300 0.069 0.000 1.119 471 R CA 1.107 57.228 56.100 0.035 0.000 0.970 471 R CB -0.684 29.611 30.300 -0.010 0.000 0.864 471 R HN 0.426 nan 8.270 nan 0.000 0.440 472 L N 0.814 122.106 121.223 0.115 0.000 2.072 472 L HA -0.096 4.154 4.340 -0.149 0.000 0.205 472 L C 2.457 179.350 176.870 0.038 0.000 1.079 472 L CA 1.138 56.051 54.840 0.123 0.000 0.752 472 L CB -0.315 41.857 42.059 0.187 0.000 0.906 472 L HN 0.198 nan 8.230 nan 0.000 0.436 473 E N 0.076 120.315 120.200 0.064 0.000 2.097 473 E HA -0.275 3.985 4.350 -0.149 0.000 0.196 473 E C 2.017 178.635 176.600 0.031 0.000 1.000 473 E CA 1.515 57.922 56.400 0.012 0.000 0.804 473 E CB -0.002 29.798 29.700 0.167 0.000 0.740 473 E HN 0.535 nan 8.360 nan 0.000 0.454 474 E N 0.504 120.740 120.200 0.059 0.000 2.085 474 E HA -0.248 4.012 4.350 -0.149 0.000 0.194 474 E C 2.074 178.702 176.600 0.047 0.000 0.994 474 E CA 1.292 57.722 56.400 0.051 0.000 0.801 474 E CB -0.082 29.646 29.700 0.048 0.000 0.743 474 E HN 0.061 nan 8.360 nan 0.000 0.453 475 K N 1.075 121.513 120.400 0.063 0.000 2.026 475 K HA -0.149 4.081 4.320 -0.149 0.000 0.208 475 K C 2.021 178.695 176.600 0.124 0.000 1.048 475 K CA 1.257 57.586 56.287 0.070 0.000 0.929 475 K CB -0.174 32.368 32.500 0.070 0.000 0.713 475 K HN -0.067 nan 8.250 nan 0.000 0.439 476 V N 1.403 121.408 119.914 0.153 0.000 2.282 476 V HA -0.294 3.737 4.120 -0.149 0.000 0.249 476 V C 2.504 178.631 176.094 0.055 0.000 1.057 476 V CA 2.141 64.504 62.300 0.104 0.000 1.032 476 V CB -1.018 30.754 31.823 -0.085 0.000 0.645 476 V HN 0.574 nan 8.190 nan 0.000 0.447 477 A N -0.796 122.044 122.820 0.034 0.000 1.969 477 A HA -0.234 3.996 4.320 -0.149 0.000 0.218 477 A C 2.243 179.845 177.584 0.030 0.000 1.169 477 A CA 1.897 53.950 52.037 0.028 0.000 0.635 477 A CB -0.392 18.625 19.000 0.029 0.000 0.810 477 A HN 0.640 nan 8.150 nan 0.000 0.445 478 E N -0.257 119.963 120.200 0.033 0.000 2.028 478 E HA -0.114 4.147 4.350 -0.149 0.000 0.190 478 E C 1.922 178.535 176.600 0.022 0.000 0.984 478 E CA 1.557 57.971 56.400 0.022 0.000 0.800 478 E CB -0.113 29.595 29.700 0.013 0.000 0.758 478 E HN 0.497 nan 8.360 nan 0.000 0.448 479 V N -1.248 118.688 119.914 0.036 0.000 3.217 479 V HA 0.210 4.241 4.120 -0.149 0.000 0.264 479 V C 1.045 177.172 176.094 0.055 0.000 1.135 479 V CA 0.819 63.144 62.300 0.041 0.000 1.142 479 V CB -1.123 30.726 31.823 0.044 0.000 0.754 479 V HN 0.418 nan 8.190 nan 0.000 0.484 480 G N 0.518 109.349 108.800 0.051 0.000 2.682 480 G HA2 -0.380 3.490 3.960 -0.149 0.000 0.256 480 G HA3 -0.380 3.490 3.960 -0.149 0.000 0.256 480 G C 0.449 175.379 174.900 0.050 0.000 1.333 480 G CA 0.482 45.605 45.100 0.038 0.000 0.904 480 G HN 0.985 nan 8.290 nan 0.000 0.569 481 I N -0.657 119.932 120.570 0.032 0.000 2.286 481 I HA -0.081 3.999 4.170 -0.149 0.000 0.248 481 I C 2.804 178.956 176.117 0.057 0.000 1.115 481 I CA 2.771 64.090 61.300 0.031 0.000 1.392 481 I CB -0.281 37.724 38.000 0.009 0.000 1.065 481 I HN 0.712 nan 8.210 nan 0.000 0.418 482 T N 0.442 115.027 114.554 0.051 0.000 2.624 482 T HA -0.201 4.059 4.350 -0.149 0.000 0.268 482 T C 1.611 176.360 174.700 0.083 0.000 1.041 482 T CA 1.819 63.953 62.100 0.057 0.000 1.159 482 T CB -0.836 68.055 68.868 0.038 0.000 0.863 482 T HN 0.647 nan 8.240 nan 0.000 0.434 483 G N 0.691 109.545 108.800 0.089 0.000 2.586 483 G HA2 -0.001 3.870 3.960 -0.149 0.000 0.215 483 G HA3 -0.001 3.870 3.960 -0.149 0.000 0.215 483 G C 0.701 175.746 174.900 0.243 0.000 1.128 483 G CA 0.064 45.234 45.100 0.118 0.000 0.774 483 G HN 0.501 nan 8.290 nan 0.000 0.543 484 L N 2.331 123.681 121.223 0.211 0.000 2.533 484 L HA 0.135 4.386 4.340 -0.149 0.000 0.239 484 L C 0.474 177.502 176.870 0.263 0.000 1.376 484 L CA -0.744 54.233 54.840 0.227 0.000 1.240 484 L CB -1.121 41.002 42.059 0.107 0.000 1.487 484 L HN 0.302 nan 8.230 nan 0.000 0.419 485 N N -0.052 118.765 118.700 0.195 0.000 2.297 485 N HA 0.060 4.710 4.740 -0.149 0.000 0.232 485 N C 1.172 176.540 175.510 -0.237 0.000 1.311 485 N CA 0.353 53.413 53.050 0.017 0.000 0.897 485 N CB 0.745 39.217 38.487 -0.025 0.000 1.137 485 N HN 0.191 nan 8.380 nan 0.000 0.449 486 A N -0.482 121.838 122.820 -0.834 0.000 2.067 486 A HA -0.142 4.088 4.320 -0.149 0.000 0.219 486 A C 1.464 178.855 177.584 -0.321 0.000 1.158 486 A CA 1.159 52.605 52.037 -0.985 0.000 0.661 486 A CB -0.573 17.706 19.000 -1.202 0.000 0.801 486 A HN 0.762 nan 8.150 nan 0.000 0.452 487 D N -0.977 119.316 120.400 -0.178 0.000 2.117 487 D HA -0.115 4.435 4.640 -0.149 0.000 0.198 487 D C 1.582 177.914 176.300 0.055 0.000 0.982 487 D CA 1.117 55.087 54.000 -0.051 0.000 0.828 487 D CB -0.308 40.474 40.800 -0.031 0.000 0.967 487 D HN 0.437 nan 8.370 nan 0.000 0.464 488 F N 1.657 121.544 119.950 -0.106 0.000 2.128 488 F HA -0.007 4.431 4.527 -0.149 0.000 0.295 488 F C 2.206 177.962 175.800 -0.074 0.000 1.100 488 F CA 0.577 58.530 58.000 -0.077 0.000 1.260 488 F CB -0.787 38.172 39.000 -0.069 0.000 1.009 488 F HN -0.139 nan 8.300 nan 0.000 0.476 489 L N 0.224 121.369 121.223 -0.131 0.000 2.043 489 L HA -0.296 3.954 4.340 -0.149 0.000 0.212 489 L C 2.776 179.527 176.870 -0.198 0.000 1.075 489 L CA 1.907 56.626 54.840 -0.202 0.000 0.752 489 L CB -0.461 41.612 42.059 0.025 0.000 0.891 489 L HN 0.161 nan 8.230 nan 0.000 0.432 490 R N -0.592 119.836 120.500 -0.121 0.000 2.092 490 R HA -0.228 4.023 4.340 -0.149 0.000 0.231 490 R C 2.310 178.548 176.300 -0.103 0.000 1.119 490 R CA 1.661 57.689 56.100 -0.120 0.000 0.970 490 R CB -0.143 30.132 30.300 -0.042 0.000 0.864 490 R HN 0.494 nan 8.270 nan 0.000 0.440 491 Q N 0.511 120.283 119.800 -0.046 0.000 2.079 491 Q HA -0.158 4.093 4.340 -0.149 0.000 0.200 491 Q C 2.098 178.088 176.000 -0.017 0.000 0.974 491 Q CA 1.408 57.219 55.803 0.014 0.000 0.840 491 Q CB -0.057 28.749 28.738 0.115 0.000 0.898 491 Q HN 0.403 nan 8.270 nan 0.000 0.430 492 L N 0.674 121.813 121.223 -0.140 0.000 2.042 492 L HA -0.221 4.030 4.340 -0.149 0.000 0.210 492 L C 2.612 179.496 176.870 0.023 0.000 1.076 492 L CA 1.094 55.880 54.840 -0.091 0.000 0.749 492 L CB -0.484 41.297 42.059 -0.462 0.000 0.893 492 L HN 0.102 nan 8.230 nan 0.000 0.432 493 K N 0.380 120.650 120.400 -0.217 0.000 2.057 493 K HA -0.145 4.085 4.320 -0.149 0.000 0.207 493 K C 2.163 178.577 176.600 -0.310 0.000 1.049 493 K CA 1.338 57.350 56.287 -0.458 0.000 0.931 493 K CB -0.400 31.396 32.500 -1.174 0.000 0.714 493 K HN 0.244 nan 8.250 nan 0.000 0.440 494 R N 0.816 121.222 120.500 -0.157 0.000 2.237 494 R HA -0.017 4.233 4.340 -0.149 0.000 0.219 494 R C 1.556 177.902 176.300 0.077 0.000 1.080 494 R CA 0.740 56.869 56.100 0.047 0.000 0.995 494 R CB 0.153 30.503 30.300 0.082 0.000 0.875 494 R HN -0.026 nan 8.270 nan 0.000 0.462 495 K N -0.990 119.459 120.400 0.081 0.000 2.444 495 K HA 0.141 4.371 4.320 -0.149 0.000 0.193 495 K C 0.984 177.559 176.600 -0.042 0.000 1.024 495 K CA 0.833 57.161 56.287 0.069 0.000 1.077 495 K CB 1.038 33.643 32.500 0.175 0.000 0.833 495 K HN 0.370 nan 8.250 nan 0.000 0.517 496 G N 1.005 109.805 108.800 0.000 0.000 2.179 496 G HA2 -0.233 3.637 3.960 -0.149 0.000 0.220 496 G HA3 -0.233 3.637 3.960 -0.149 0.000 0.220 496 G C 0.007 174.870 174.900 -0.060 0.000 0.990 496 G CA -0.537 44.544 45.100 -0.031 0.000 0.646 496 G HN 0.176 nan 8.290 nan 0.000 0.517 497 F N 1.964 121.911 119.950 -0.004 0.000 2.572 497 F HA 0.491 4.928 4.527 -0.150 0.000 0.370 497 F C 1.116 176.902 175.800 -0.023 0.000 1.103 497 F CA 0.633 58.624 58.000 -0.014 0.000 1.286 497 F CB 0.806 39.774 39.000 -0.054 0.000 1.105 497 F HN 0.353 nan 8.300 nan 0.000 0.583 498 A N 2.914 125.857 122.820 0.206 0.000 2.303 498 A HA 0.310 4.541 4.320 -0.149 0.000 0.317 498 A C 0.955 178.599 177.584 0.099 0.000 1.149 498 A CA -0.778 51.333 52.037 0.124 0.000 0.822 498 A CB 0.442 19.500 19.000 0.096 0.000 1.131 498 A HN 0.756 nan 8.150 nan 0.000 0.493 499 D N 1.754 122.192 120.400 0.062 0.000 2.133 499 D HA -0.210 4.340 4.640 -0.149 0.000 0.192 499 D C 2.149 178.467 176.300 0.029 0.000 1.001 499 D CA 2.208 56.226 54.000 0.030 0.000 0.844 499 D CB -0.376 40.442 40.800 0.030 0.000 0.944 499 D HN 0.664 nan 8.370 nan 0.000 0.447 500 A N 0.524 123.370 122.820 0.042 0.000 1.940 500 A HA -0.208 4.022 4.320 -0.149 0.000 0.219 500 A C 2.193 179.808 177.584 0.052 0.000 1.176 500 A CA 1.827 53.887 52.037 0.038 0.000 0.631 500 A CB -0.357 18.665 19.000 0.036 0.000 0.814 500 A HN 0.051 nan 8.150 nan 0.000 0.446 501 R N 0.026 120.579 120.500 0.088 0.000 2.057 501 R HA 0.054 4.305 4.340 -0.149 0.000 0.229 501 R C 1.952 178.297 176.300 0.076 0.000 1.136 501 R CA 1.598 57.775 56.100 0.128 0.000 0.952 501 R CB -0.912 29.540 30.300 0.253 0.000 0.848 501 R HN 0.506 nan 8.270 nan 0.000 0.430 502 L N 0.019 121.261 121.223 0.032 0.000 2.042 502 L HA -0.139 4.111 4.340 -0.149 0.000 0.210 502 L C 2.509 179.357 176.870 -0.036 0.000 1.076 502 L CA 1.537 56.339 54.840 -0.063 0.000 0.749 502 L CB -0.784 41.204 42.059 -0.119 0.000 0.893 502 L HN 0.272 nan 8.230 nan 0.000 0.432 503 A N 0.502 123.315 122.820 -0.012 0.000 1.902 503 A HA -0.225 4.006 4.320 -0.149 0.000 0.217 503 A C 2.357 179.941 177.584 0.001 0.000 1.181 503 A CA 1.864 53.897 52.037 -0.008 0.000 0.623 503 A CB -0.379 18.620 19.000 -0.002 0.000 0.818 503 A HN 0.373 nan 8.150 nan 0.000 0.443 504 K N -0.297 120.112 120.400 0.015 0.000 2.057 504 K HA -0.058 4.173 4.320 -0.149 0.000 0.207 504 K C 1.840 178.450 176.600 0.018 0.000 1.049 504 K CA 1.451 57.750 56.287 0.020 0.000 0.931 504 K CB -0.432 32.088 32.500 0.033 0.000 0.714 504 K HN 0.453 nan 8.250 nan 0.000 0.440 505 L N 0.380 121.613 121.223 0.016 0.000 2.046 505 L HA -0.143 4.108 4.340 -0.149 0.000 0.208 505 L C 2.159 179.031 176.870 0.003 0.000 1.077 505 L CA 1.080 55.926 54.840 0.010 0.000 0.747 505 L CB -0.327 41.726 42.059 -0.012 0.000 0.896 505 L HN 0.196 nan 8.230 nan 0.000 0.432 506 A N -0.544 122.271 122.820 -0.008 0.000 2.379 506 A HA 0.360 4.591 4.320 -0.149 0.000 0.236 506 A C 1.591 179.175 177.584 0.001 0.000 1.272 506 A CA 0.447 52.481 52.037 -0.004 0.000 0.886 506 A CB -0.511 18.480 19.000 -0.016 0.000 0.962 506 A HN 0.465 nan 8.150 nan 0.000 0.504 507 G N -0.327 108.475 108.800 0.003 0.000 2.296 507 G HA2 -0.178 3.692 3.960 -0.149 0.000 0.282 507 G HA3 -0.178 3.692 3.960 -0.149 0.000 0.282 507 G C 0.449 175.349 174.900 0.000 0.000 1.014 507 G CA 1.015 46.117 45.100 0.004 0.000 0.812 507 G HN 1.725 nan 8.290 nan 0.000 0.508 508 V N -4.487 115.425 119.914 -0.003 0.000 3.204 508 V HA 0.927 4.958 4.120 -0.149 0.000 0.316 508 V C 0.617 176.707 176.094 -0.006 0.000 1.160 508 V CA -1.925 60.371 62.300 -0.007 0.000 1.044 508 V CB 1.313 33.129 31.823 -0.012 0.000 1.136 508 V HN 0.242 nan 8.190 nan 0.000 0.455 509 R N 0.294 120.789 120.500 -0.008 0.000 2.531 509 R HA 0.299 4.549 4.340 -0.149 0.000 0.273 509 R C 1.412 177.708 176.300 -0.007 0.000 1.070 509 R CA 0.255 56.352 56.100 -0.006 0.000 1.112 509 R CB 0.637 30.933 30.300 -0.007 0.000 1.049 509 R HN 0.968 nan 8.270 nan 0.000 0.508 510 E N 1.931 122.130 120.200 -0.002 0.000 2.209 510 E HA -0.251 4.009 4.350 -0.149 0.000 0.196 510 E C 1.106 177.705 176.600 -0.002 0.000 0.993 510 E CA 1.558 57.958 56.400 0.001 0.000 0.819 510 E CB 0.086 29.791 29.700 0.009 0.000 0.745 510 E HN 0.704 nan 8.360 nan 0.000 0.477 511 A N 0.757 123.575 122.820 -0.004 0.000 2.016 511 A HA -0.113 4.117 4.320 -0.149 0.000 0.217 511 A C 1.874 179.447 177.584 -0.018 0.000 1.162 511 A CA 1.026 53.059 52.037 -0.006 0.000 0.662 511 A CB -0.266 18.731 19.000 -0.004 0.000 0.812 511 A HN 0.307 nan 8.150 nan 0.000 0.450 512 E N -0.303 119.884 120.200 -0.022 0.000 2.153 512 E HA -0.146 4.114 4.350 -0.149 0.000 0.194 512 E C 1.633 178.201 176.600 -0.052 0.000 0.988 512 E CA 1.014 57.393 56.400 -0.035 0.000 0.811 512 E CB -0.082 29.601 29.700 -0.028 0.000 0.746 512 E HN 0.554 nan 8.360 nan 0.000 0.466 513 I N 0.253 120.798 120.570 -0.042 0.000 2.406 513 I HA -0.145 3.936 4.170 -0.149 0.000 0.249 513 I C 2.442 178.528 176.117 -0.052 0.000 1.122 513 I CA 0.888 62.157 61.300 -0.052 0.000 1.431 513 I CB -0.747 37.230 38.000 -0.038 0.000 1.087 513 I HN 0.070 nan 8.210 nan 0.000 0.424 514 R N 1.609 122.094 120.500 -0.026 0.000 2.081 514 R HA -0.172 4.079 4.340 -0.149 0.000 0.235 514 R C 2.263 178.547 176.300 -0.027 0.000 1.131 514 R CA 1.507 57.603 56.100 -0.007 0.000 0.960 514 R CB 0.051 30.362 30.300 0.018 0.000 0.856 514 R HN 0.221 nan 8.270 nan 0.000 0.436 515 K N 0.244 120.617 120.400 -0.046 0.000 2.026 515 K HA -0.157 4.073 4.320 -0.149 0.000 0.208 515 K C 1.970 178.483 176.600 -0.144 0.000 1.048 515 K CA 1.278 57.526 56.287 -0.065 0.000 0.929 515 K CB -0.340 32.122 32.500 -0.064 0.000 0.713 515 K HN 0.072 nan 8.250 nan 0.000 0.439 516 L N 1.916 123.015 121.223 -0.207 0.000 2.089 516 L HA -0.238 4.012 4.340 -0.149 0.000 0.213 516 L C 1.910 178.497 176.870 -0.471 0.000 1.079 516 L CA 1.756 56.344 54.840 -0.420 0.000 0.758 516 L CB -0.363 41.502 42.059 -0.322 0.000 0.891 516 L HN 0.107 nan 8.230 nan 0.000 0.433 517 R N -0.903 119.465 120.500 -0.220 0.000 2.115 517 R HA -0.093 4.158 4.340 -0.149 0.000 0.226 517 R C 1.878 178.057 176.300 -0.201 0.000 1.100 517 R CA 1.112 57.117 56.100 -0.159 0.000 0.980 517 R CB -0.345 29.887 30.300 -0.112 0.000 0.875 517 R HN 0.443 nan 8.270 nan 0.000 0.445 518 D N 0.870 121.206 120.400 -0.106 0.000 2.097 518 D HA -0.167 4.383 4.640 -0.149 0.000 0.195 518 D C 1.860 178.166 176.300 0.010 0.000 0.989 518 D CA 1.208 55.221 54.000 0.022 0.000 0.827 518 D CB -0.117 40.733 40.800 0.084 0.000 0.966 518 D HN 0.163 nan 8.370 nan 0.000 0.456 519 Q N -0.430 119.325 119.800 -0.074 0.000 1.935 519 Q HA -0.217 4.033 4.340 -0.149 0.000 0.212 519 Q C 2.104 178.142 176.000 0.063 0.000 1.008 519 Q CA 1.621 57.385 55.803 -0.066 0.000 0.868 519 Q CB -0.321 28.253 28.738 -0.274 0.000 0.946 519 Q HN 0.347 nan 8.270 nan 0.000 0.418 520 Y N 0.500 120.787 120.300 -0.022 0.000 2.446 520 Y HA -0.168 4.292 4.550 -0.149 0.000 0.287 520 Y C 0.709 176.591 175.900 -0.029 0.000 1.159 520 Y CA 1.317 59.402 58.100 -0.025 0.000 1.297 520 Y CB -0.737 37.698 38.460 -0.041 0.000 0.974 520 Y HN 0.389 nan 8.280 nan 0.000 0.557 521 D N -1.261 119.188 120.400 0.083 0.000 2.746 521 D HA -0.194 4.356 4.640 -0.149 0.000 0.236 521 D C -0.784 175.496 176.300 -0.034 0.000 1.129 521 D CA 0.186 54.224 54.000 0.064 0.000 0.691 521 D CB -1.377 39.511 40.800 0.146 0.000 1.077 521 D HN 0.151 nan 8.370 nan 0.000 0.432 522 L N 2.473 123.564 121.223 -0.220 0.000 2.282 522 L HA 0.445 4.695 4.340 -0.149 0.000 0.287 522 L C -0.779 175.940 176.870 -0.251 0.000 1.075 522 L CA -0.112 54.670 54.840 -0.097 0.000 0.839 522 L CB 0.478 42.552 42.059 0.024 0.000 1.219 522 L HN 0.152 nan 8.230 nan 0.000 0.434 523 H N 4.706 123.921 119.070 0.242 0.000 2.895 523 H HA 0.563 5.029 4.556 -0.150 0.000 0.373 523 H C -2.534 172.636 175.328 -0.264 0.000 1.174 523 H CA -1.637 54.472 56.048 0.102 0.000 1.144 523 H CB 1.881 31.670 29.762 0.046 0.000 1.793 523 H HN 0.369 nan 8.280 nan 0.000 0.551 524 P HA 0.123 nan 4.420 nan 0.000 0.277 524 P C -0.291 176.658 177.300 -0.585 0.000 1.276 524 P CA -0.423 61.984 63.100 -1.155 0.000 0.788 524 P CB 0.988 32.094 31.700 -0.989 0.000 1.114 525 V N -2.899 116.666 119.914 -0.582 0.000 3.001 525 V HA 0.578 4.609 4.120 -0.149 0.000 0.314 525 V C -1.388 174.395 176.094 -0.519 0.000 1.099 525 V CA -1.005 61.086 62.300 -0.348 0.000 0.989 525 V CB 1.560 33.288 31.823 -0.158 0.000 1.040 525 V HN 0.301 nan 8.190 nan 0.000 0.434 526 Y N 2.297 122.532 120.300 -0.107 0.000 2.331 526 Y HA 0.718 5.178 4.550 -0.150 0.000 0.338 526 Y C 0.486 176.233 175.900 -0.255 0.000 0.976 526 Y CA -0.634 57.377 58.100 -0.149 0.000 1.137 526 Y CB 1.648 40.123 38.460 0.024 0.000 1.172 526 Y HN 0.532 nan 8.280 nan 0.000 0.478 527 K N 3.125 123.257 120.400 -0.445 0.000 2.168 527 K HA 0.608 4.838 4.320 -0.149 0.000 0.239 527 K C -0.340 175.998 176.600 -0.437 0.000 0.999 527 K CA -0.930 55.080 56.287 -0.461 0.000 0.900 527 K CB 1.601 33.776 32.500 -0.543 0.000 1.111 527 K HN 0.697 nan 8.250 nan 0.000 0.452 528 R N -0.144 120.252 120.500 -0.172 0.000 2.854 528 R HA 0.492 4.742 4.340 -0.149 0.000 0.271 528 R C -0.626 175.715 176.300 0.068 0.000 0.996 528 R CA -1.025 55.039 56.100 -0.061 0.000 0.961 528 R CB 1.684 31.971 30.300 -0.021 0.000 1.182 528 R HN 0.179 nan 8.270 nan 0.000 0.479 529 V N 1.991 121.889 119.914 -0.027 0.000 2.498 529 V HA 0.103 4.133 4.120 -0.149 0.000 0.279 529 V C 0.024 176.148 176.094 0.050 0.000 1.048 529 V CA 0.266 62.537 62.300 -0.047 0.000 0.967 529 V CB 1.312 32.754 31.823 -0.635 0.000 0.988 529 V HN 1.017 nan 8.190 nan 0.000 0.473 530 D N 0.501 120.983 120.400 0.136 0.000 2.480 530 D HA 0.034 4.585 4.640 -0.149 0.000 0.276 530 D C 0.861 177.273 176.300 0.187 0.000 1.294 530 D CA 0.726 54.802 54.000 0.127 0.000 0.829 530 D CB 0.054 40.925 40.800 0.118 0.000 1.242 530 D HN 0.752 nan 8.370 nan 0.000 0.513 531 T N -2.058 112.636 114.554 0.234 0.000 7.578 531 T HA -0.361 3.899 4.350 -0.149 0.000 0.299 531 T C 1.002 175.922 174.700 0.368 0.000 2.097 531 T CA 1.437 63.736 62.100 0.332 0.000 3.248 531 T CB -2.940 66.242 68.868 0.523 0.000 2.014 531 T HN 1.039 nan 8.240 nan 0.000 1.198 532 C N -0.134 119.328 119.300 0.269 0.000 3.395 532 C HA 0.876 5.246 4.460 -0.149 0.000 0.264 532 C C 1.489 176.569 174.990 0.151 0.000 2.141 532 C CA -0.260 58.930 59.018 0.285 0.000 1.689 532 C CB -0.404 27.581 27.740 0.409 0.000 3.416 532 C HN 2.243 nan 8.230 nan 0.000 0.432 533 A N 0.311 123.182 122.820 0.086 0.000 2.791 533 A HA 0.289 4.519 4.320 -0.149 0.000 0.292 533 A C 1.587 179.180 177.584 0.016 0.000 1.487 533 A CA 1.601 53.653 52.037 0.025 0.000 0.760 533 A CB -1.838 17.152 19.000 -0.017 0.000 1.031 533 A HN 2.868 nan 8.150 nan 0.000 0.503 534 A N -2.030 120.813 122.820 0.039 0.000 3.172 534 A HA -0.312 3.918 4.320 -0.149 0.000 0.263 534 A C 1.203 178.733 177.584 -0.090 0.000 1.215 534 A CA 2.260 54.298 52.037 0.003 0.000 1.065 534 A CB -2.244 16.760 19.000 0.006 0.000 1.148 534 A HN 1.970 nan 8.150 nan 0.000 0.904 535 E N -1.616 118.485 120.200 -0.164 0.000 2.338 535 E HA 0.138 4.398 4.350 -0.149 0.000 0.197 535 E C 0.006 176.022 176.600 -0.973 0.000 1.007 535 E CA 0.818 56.917 56.400 -0.501 0.000 0.849 535 E CB 0.008 29.385 29.700 -0.539 0.000 0.774 535 E HN 0.754 nan 8.360 nan 0.000 0.506 536 F N -0.664 119.271 119.950 -0.025 0.000 2.588 536 F HA 0.525 4.962 4.527 -0.150 0.000 0.310 536 F C 0.062 175.844 175.800 -0.030 0.000 1.082 536 F CA -1.069 56.907 58.000 -0.039 0.000 0.929 536 F CB 1.370 40.327 39.000 -0.073 0.000 1.254 536 F HN -0.186 nan 8.300 nan 0.000 0.455 537 A N 0.895 123.815 122.820 0.166 0.000 2.332 537 A HA 0.623 4.854 4.320 -0.149 0.000 0.258 537 A C -0.062 177.565 177.584 0.072 0.000 1.087 537 A CA -0.082 52.006 52.037 0.085 0.000 0.802 537 A CB 0.703 19.734 19.000 0.051 0.000 1.042 537 A HN 0.738 nan 8.150 nan 0.000 0.489 538 T N -1.178 113.398 114.554 0.036 0.000 2.916 538 T HA 0.491 4.752 4.350 -0.149 0.000 0.292 538 T C -0.464 174.233 174.700 -0.006 0.000 1.055 538 T CA -0.520 61.584 62.100 0.007 0.000 1.009 538 T CB 1.250 70.122 68.868 0.006 0.000 1.118 538 T HN 0.531 nan 8.240 nan 0.000 0.497 539 D N 1.331 121.717 120.400 -0.024 0.000 2.469 539 D HA 0.199 4.750 4.640 -0.149 0.000 0.213 539 D C 0.066 176.350 176.300 -0.027 0.000 1.135 539 D CA 0.188 54.175 54.000 -0.021 0.000 0.834 539 D CB 0.865 41.653 40.800 -0.021 0.000 1.009 539 D HN 0.473 nan 8.370 nan 0.000 0.507 540 T N 0.530 115.058 114.554 -0.044 0.000 2.909 540 T HA 0.525 4.786 4.350 -0.149 0.000 0.286 540 T C 0.300 174.992 174.700 -0.013 0.000 1.002 540 T CA -0.429 61.642 62.100 -0.049 0.000 1.074 540 T CB 2.038 70.819 68.868 -0.145 0.000 0.984 540 T HN -0.056 nan 8.240 nan 0.000 0.495 541 A N 3.079 125.899 122.820 0.000 0.000 3.056 541 A HA 0.395 4.625 4.320 -0.149 0.000 0.328 541 A C -0.822 176.775 177.584 0.021 0.000 1.233 541 A CA -0.456 51.565 52.037 -0.026 0.000 0.965 541 A CB -0.312 18.646 19.000 -0.070 0.000 1.123 541 A HN 0.711 nan 8.150 nan 0.000 0.502 542 Y N 3.042 123.299 120.300 -0.072 0.000 2.587 542 Y HA 0.671 5.131 4.550 -0.150 0.000 0.328 542 Y C -0.486 175.414 175.900 0.001 0.000 0.980 542 Y CA -1.820 56.281 58.100 0.001 0.000 1.272 542 Y CB 0.397 38.903 38.460 0.077 0.000 1.094 542 Y HN 0.577 nan 8.280 nan 0.000 0.503 543 M N 6.132 125.844 119.600 0.186 0.000 2.777 543 M HA 0.583 4.973 4.480 -0.149 0.000 0.307 543 M C -1.526 174.941 176.300 0.279 0.000 1.228 543 M CA -1.185 54.145 55.300 0.049 0.000 0.871 543 M CB 2.671 35.182 32.600 -0.148 0.000 1.721 543 M HN 0.450 nan 8.290 nan 0.000 0.487 544 Y N -1.744 118.674 120.300 0.196 0.000 2.513 544 Y HA 0.755 5.215 4.550 -0.149 0.000 0.340 544 Y C -0.717 175.278 175.900 0.158 0.000 1.055 544 Y CA -1.415 56.807 58.100 0.204 0.000 1.020 544 Y CB 0.775 39.235 38.460 0.000 0.000 1.301 544 Y HN 0.760 nan 8.280 nan 0.000 0.453 545 S N 1.703 117.512 115.700 0.180 0.000 2.584 545 S HA 0.774 5.154 4.470 -0.149 0.000 0.273 545 S C -0.304 174.250 174.600 -0.077 0.000 1.311 545 S CA -0.014 58.012 58.200 -0.290 0.000 1.034 545 S CB 1.685 64.695 63.200 -0.316 0.000 0.939 545 S HN 1.070 nan 8.310 nan 0.000 0.513 546 T N 0.724 115.125 114.554 -0.256 0.000 2.830 546 T HA 0.410 4.670 4.350 -0.149 0.000 0.322 546 T C -2.157 172.407 174.700 -0.226 0.000 1.501 546 T CA -0.584 61.486 62.100 -0.050 0.000 1.036 546 T CB 0.693 69.624 68.868 0.104 0.000 1.379 546 T HN 0.585 nan 8.240 nan 0.000 0.493 547 Y N 2.430 122.733 120.300 0.005 0.000 2.594 547 Y HA 0.566 5.026 4.550 -0.150 0.000 0.342 547 Y C 0.853 176.764 175.900 0.019 0.000 1.010 547 Y CA -0.059 58.044 58.100 0.006 0.000 1.270 547 Y CB 0.751 39.224 38.460 0.022 0.000 1.125 547 Y HN 0.617 nan 8.280 nan 0.000 0.513 548 E N 0.365 120.589 120.200 0.040 0.000 2.334 548 E HA 0.267 4.528 4.350 -0.149 0.000 0.200 548 E C 0.324 176.945 176.600 0.034 0.000 0.855 548 E CA -0.546 55.886 56.400 0.054 0.000 0.882 548 E CB 1.179 30.907 29.700 0.048 0.000 1.993 548 E HN 0.342 nan 8.360 nan 0.000 0.412 549 E N 0.719 120.936 120.200 0.028 0.000 2.083 549 E HA 0.021 4.281 4.350 -0.149 0.000 0.193 549 E C -0.094 176.515 176.600 0.015 0.000 0.950 549 E CA 0.423 56.839 56.400 0.026 0.000 0.849 549 E CB 0.099 29.817 29.700 0.030 0.000 0.827 549 E HN 0.339 nan 8.360 nan 0.000 0.465 550 E N 0.968 121.174 120.200 0.010 0.000 2.194 550 E HA 0.116 4.376 4.350 -0.149 0.000 0.284 550 E C -1.046 175.552 176.600 -0.003 0.000 1.035 550 E CA -0.224 56.180 56.400 0.007 0.000 0.836 550 E CB 0.904 30.609 29.700 0.008 0.000 1.070 550 E HN 0.042 nan 8.360 nan 0.000 0.401 551 C N 5.016 124.322 119.300 0.009 0.000 2.369 551 C HA 0.271 4.641 4.460 -0.149 0.000 0.358 551 C C 0.731 175.737 174.990 0.028 0.000 1.274 551 C CA -0.284 58.747 59.018 0.022 0.000 1.935 551 C CB -0.174 27.600 27.740 0.057 0.000 2.431 551 C HN 0.933 nan 8.230 nan 0.000 0.545 552 E N 3.327 123.543 120.200 0.027 0.000 2.498 552 E HA 0.115 4.376 4.350 -0.149 0.000 0.203 552 E C 1.673 178.289 176.600 0.027 0.000 1.013 552 E CA 0.405 56.814 56.400 0.015 0.000 0.927 552 E CB 0.296 29.987 29.700 -0.014 0.000 1.012 552 E HN 0.815 nan 8.360 nan 0.000 0.482 553 A N 2.192 125.059 122.820 0.078 0.000 1.851 553 A HA -0.247 3.984 4.320 -0.149 0.000 0.216 553 A C 1.023 178.619 177.584 0.021 0.000 1.195 553 A CA 1.367 53.437 52.037 0.054 0.000 0.622 553 A CB -0.554 18.507 19.000 0.103 0.000 0.831 553 A HN 0.352 nan 8.150 nan 0.000 0.444 554 N N -0.865 117.855 118.700 0.033 0.000 2.696 554 N HA -0.100 4.550 4.740 -0.149 0.000 0.256 554 N C -2.551 172.969 175.510 0.016 0.000 1.031 554 N CA 0.795 53.857 53.050 0.020 0.000 0.730 554 N CB -1.131 37.362 38.487 0.011 0.000 0.894 554 N HN 0.445 nan 8.380 nan 0.000 0.544 555 P HA 0.070 nan 4.420 nan 0.000 0.271 555 P C -0.174 177.136 177.300 0.015 0.000 1.233 555 P CA -0.180 62.934 63.100 0.022 0.000 0.795 555 P CB 0.467 32.178 31.700 0.019 0.000 0.936 556 S N -1.475 114.235 115.700 0.016 0.000 2.565 556 S HA 0.430 4.810 4.470 -0.149 0.000 0.290 556 S C 0.772 175.379 174.600 0.011 0.000 1.150 556 S CA -0.076 58.132 58.200 0.013 0.000 1.058 556 S CB 0.761 63.969 63.200 0.013 0.000 1.032 556 S HN 0.551 nan 8.310 nan 0.000 0.510 557 T N -1.335 113.223 114.554 0.008 0.000 3.023 557 T HA 0.170 4.431 4.350 -0.149 0.000 0.253 557 T C 0.846 175.549 174.700 0.005 0.000 1.038 557 T CA 0.069 62.172 62.100 0.006 0.000 0.962 557 T CB -0.184 68.686 68.868 0.004 0.000 1.018 557 T HN 0.529 nan 8.240 nan 0.000 0.521 558 D N 1.811 122.213 120.400 0.004 0.000 2.078 558 D HA 0.016 4.566 4.640 -0.149 0.000 0.193 558 D C 1.243 177.542 176.300 -0.002 0.000 0.990 558 D CA 1.044 55.044 54.000 0.000 0.000 0.827 558 D CB 0.213 41.014 40.800 0.002 0.000 0.975 558 D HN 0.304 nan 8.370 nan 0.000 0.451 559 R N 0.392 120.896 120.500 0.006 0.000 2.700 559 R HA 0.343 4.593 4.340 -0.149 0.000 0.253 559 R C -0.038 176.276 176.300 0.025 0.000 1.091 559 R CA -0.543 55.561 56.100 0.006 0.000 1.104 559 R CB 0.695 31.006 30.300 0.019 0.000 1.202 559 R HN 0.093 nan 8.270 nan 0.000 0.532 560 E N 2.097 122.317 120.200 0.033 0.000 2.130 560 E HA 0.138 4.398 4.350 -0.149 0.000 0.284 560 E C -0.769 175.949 176.600 0.198 0.000 1.018 560 E CA -0.128 56.333 56.400 0.100 0.000 0.817 560 E CB 1.214 30.943 29.700 0.048 0.000 1.078 560 E HN 0.161 nan 8.360 nan 0.000 0.396 561 K N 3.079 123.563 120.400 0.140 0.000 2.182 561 K HA 0.468 4.698 4.320 -0.149 0.000 0.262 561 K C -0.314 176.319 176.600 0.055 0.000 0.957 561 K CA -0.658 55.694 56.287 0.108 0.000 0.842 561 K CB 1.632 34.166 32.500 0.057 0.000 1.099 561 K HN 0.281 nan 8.250 nan 0.000 0.438 562 I N 3.578 124.153 120.570 0.009 0.000 2.389 562 I HA 0.305 4.386 4.170 -0.149 0.000 0.288 562 I C -0.334 175.742 176.117 -0.068 0.000 0.999 562 I CA -0.525 60.714 61.300 -0.102 0.000 1.129 562 I CB 1.426 39.260 38.000 -0.277 0.000 1.288 562 I HN 0.630 nan 8.210 nan 0.000 0.444 563 M N 5.971 125.524 119.600 -0.077 0.000 2.180 563 M HA 0.411 4.802 4.480 -0.149 0.000 0.350 563 M C -0.828 175.425 176.300 -0.077 0.000 1.125 563 M CA -0.727 54.538 55.300 -0.059 0.000 1.031 563 M CB 1.951 34.513 32.600 -0.063 0.000 1.623 563 M HN 0.205 nan 8.290 nan 0.000 0.451 564 V N 6.109 125.991 119.914 -0.052 0.000 2.334 564 V HA 0.358 4.388 4.120 -0.149 0.000 0.281 564 V C -0.086 175.993 176.094 -0.025 0.000 1.016 564 V CA -0.678 61.591 62.300 -0.052 0.000 0.832 564 V CB 1.062 32.868 31.823 -0.028 0.000 0.999 564 V HN 0.719 nan 8.190 nan 0.000 0.439 565 L N 4.984 126.190 121.223 -0.028 0.000 2.281 565 L HA 0.536 4.786 4.340 -0.149 0.000 0.285 565 L C 1.206 178.077 176.870 0.002 0.000 1.074 565 L CA 0.032 54.860 54.840 -0.019 0.000 0.817 565 L CB 0.638 42.680 42.059 -0.028 0.000 1.168 565 L HN 0.733 nan 8.230 nan 0.000 0.434 566 G N 1.780 110.572 108.800 -0.012 0.000 2.588 566 G HA2 0.356 4.226 3.960 -0.149 0.000 0.278 566 G HA3 0.356 4.226 3.960 -0.149 0.000 0.278 566 G C 0.755 175.641 174.900 -0.022 0.000 1.307 566 G CA 0.038 45.133 45.100 -0.007 0.000 1.016 566 G HN 0.777 nan 8.290 nan 0.000 0.503 567 G N -1.708 107.077 108.800 -0.025 0.000 3.453 567 G HA2 0.549 4.419 3.960 -0.149 0.000 0.263 567 G HA3 0.549 4.419 3.960 -0.149 0.000 0.263 567 G C 0.891 175.755 174.900 -0.059 0.000 1.060 567 G CA 0.815 45.882 45.100 -0.054 0.000 0.793 567 G HN 1.834 nan 8.290 nan 0.000 0.532 568 G N 0.816 109.577 108.800 -0.065 0.000 2.553 568 G HA2 -0.167 3.703 3.960 -0.149 0.000 0.242 568 G HA3 -0.167 3.703 3.960 -0.149 0.000 0.242 568 G C -2.457 172.411 174.900 -0.055 0.000 1.277 568 G CA -0.327 44.733 45.100 -0.066 0.000 0.910 568 G HN 0.363 nan 8.290 nan 0.000 0.576 569 P HA 0.210 nan 4.420 nan 0.000 0.269 569 P C -0.153 177.126 177.300 -0.035 0.000 1.215 569 P CA -0.019 63.058 63.100 -0.038 0.000 0.780 569 P CB 0.171 31.851 31.700 -0.033 0.000 0.898 570 N N 1.804 120.485 118.700 -0.032 0.000 2.530 570 N HA 0.429 5.079 4.740 -0.149 0.000 0.277 570 N C 0.009 175.501 175.510 -0.030 0.000 1.168 570 N CA -0.343 52.698 53.050 -0.016 0.000 0.979 570 N CB 0.490 38.977 38.487 0.001 0.000 1.141 570 N HN 0.321 nan 8.380 nan 0.000 0.459 571 R N 0.467 120.957 120.500 -0.016 0.000 2.781 571 R HA 0.465 4.715 4.340 -0.149 0.000 0.269 571 R C -0.872 175.426 176.300 -0.002 0.000 1.025 571 R CA -0.804 55.285 56.100 -0.019 0.000 0.914 571 R CB 0.975 31.258 30.300 -0.027 0.000 1.236 571 R HN 0.419 nan 8.270 nan 0.000 0.465 572 I N 1.894 122.463 120.570 -0.001 0.000 2.598 572 I HA 0.135 4.215 4.170 -0.149 0.000 0.284 572 I C 1.075 177.179 176.117 -0.021 0.000 1.140 572 I CA 1.652 62.949 61.300 -0.004 0.000 1.420 572 I CB 0.509 38.508 38.000 -0.001 0.000 1.387 572 I HN 0.993 nan 8.210 nan 0.000 0.553 573 G N 4.960 113.767 108.800 0.012 0.000 2.234 573 G HA2 -0.200 3.670 3.960 -0.149 0.000 0.235 573 G HA3 -0.200 3.670 3.960 -0.149 0.000 0.235 573 G C 0.324 175.307 174.900 0.137 0.000 0.997 573 G CA -0.418 44.706 45.100 0.041 0.000 0.623 573 G HN 0.539 nan 8.290 nan 0.000 0.514 574 Q N 1.073 120.932 119.800 0.098 0.000 2.928 574 Q HA 0.498 4.748 4.340 -0.149 0.000 0.353 574 Q C 0.855 176.975 176.000 0.199 0.000 0.870 574 Q CA 0.324 56.178 55.803 0.086 0.000 0.963 574 Q CB 0.777 29.448 28.738 -0.113 0.000 1.419 574 Q HN 0.555 nan 8.270 nan 0.000 0.396 575 G N 0.227 109.209 108.800 0.302 0.000 2.546 575 G HA2 0.238 4.109 3.960 -0.149 0.000 0.239 575 G HA3 0.238 4.109 3.960 -0.149 0.000 0.239 575 G C 0.713 175.721 174.900 0.181 0.000 1.476 575 G CA -0.515 44.687 45.100 0.170 0.000 1.064 575 G HN 0.454 nan 8.290 nan 0.000 0.561 576 I N -0.257 120.357 120.570 0.073 0.000 3.001 576 I HA -0.030 4.050 4.170 -0.149 0.000 0.268 576 I C 2.248 178.378 176.117 0.020 0.000 1.267 576 I CA 0.697 62.031 61.300 0.057 0.000 1.472 576 I CB 0.016 38.040 38.000 0.040 0.000 1.089 576 I HN 0.479 nan 8.210 nan 0.000 0.468 577 E N 0.468 120.598 120.200 -0.117 0.000 2.106 577 E HA -0.183 4.077 4.350 -0.149 0.000 0.192 577 E C 1.776 178.179 176.600 -0.330 0.000 0.984 577 E CA 1.480 57.694 56.400 -0.310 0.000 0.806 577 E CB -0.242 29.112 29.700 -0.577 0.000 0.750 577 E HN 0.414 nan 8.360 nan 0.000 0.458 578 F N 0.702 120.657 119.950 0.008 0.000 2.113 578 F HA -0.108 4.328 4.527 -0.151 0.000 0.297 578 F C 2.098 177.909 175.800 0.018 0.000 1.103 578 F CA 1.431 59.431 58.000 -0.001 0.000 1.248 578 F CB -0.532 38.467 39.000 -0.001 0.000 0.999 578 F HN 0.014 nan 8.300 nan 0.000 0.475 579 D N -1.256 119.258 120.400 0.190 0.000 2.178 579 D HA -0.262 4.288 4.640 -0.149 0.000 0.201 579 D C 2.119 178.450 176.300 0.052 0.000 0.980 579 D CA 0.827 54.892 54.000 0.109 0.000 0.842 579 D CB -0.253 40.595 40.800 0.079 0.000 0.948 579 D HN 0.332 nan 8.370 nan 0.000 0.472 580 Y N 0.391 120.631 120.300 -0.099 0.000 2.128 580 Y HA -0.299 4.161 4.550 -0.150 0.000 0.284 580 Y C 2.172 177.910 175.900 -0.269 0.000 1.154 580 Y CA 1.707 59.687 58.100 -0.199 0.000 1.149 580 Y CB -0.415 37.894 38.460 -0.251 0.000 0.976 580 Y HN 0.155 nan 8.280 nan 0.000 0.505 581 C N -0.746 118.505 119.300 -0.083 0.000 2.442 581 C HA -0.225 4.145 4.460 -0.149 0.000 0.279 581 C C 2.929 177.959 174.990 0.066 0.000 1.237 581 C CA 0.993 59.926 59.018 -0.141 0.000 1.722 581 C CB -1.687 25.838 27.740 -0.358 0.000 2.056 581 C HN 0.777 nan 8.230 nan 0.000 0.469 582 C N 0.692 120.091 119.300 0.164 0.000 2.396 582 C HA -0.122 4.248 4.460 -0.149 0.000 0.277 582 C C 2.765 177.822 174.990 0.113 0.000 1.231 582 C CA 1.171 60.319 59.018 0.217 0.000 1.775 582 C CB -1.534 26.289 27.740 0.138 0.000 2.036 582 C HN 0.568 nan 8.230 nan 0.000 0.484 583 V N -0.511 119.414 119.914 0.019 0.000 2.307 583 V HA -0.241 3.790 4.120 -0.149 0.000 0.245 583 V C 2.297 178.442 176.094 0.084 0.000 1.045 583 V CA 2.064 64.367 62.300 0.006 0.000 1.024 583 V CB -0.857 30.920 31.823 -0.077 0.000 0.651 583 V HN 0.660 nan 8.190 nan 0.000 0.449 584 H N -0.446 118.546 119.070 -0.130 0.000 2.387 584 H HA -0.140 4.328 4.556 -0.148 0.000 0.299 584 H C 2.322 177.661 175.328 0.018 0.000 1.090 584 H CA 1.067 57.059 56.048 -0.093 0.000 1.332 584 H CB 0.075 29.755 29.762 -0.137 0.000 1.386 584 H HN 0.481 nan 8.280 nan 0.000 0.516 585 A N 0.109 123.066 122.820 0.228 0.000 1.902 585 A HA -0.202 4.028 4.320 -0.149 0.000 0.217 585 A C 2.539 180.154 177.584 0.051 0.000 1.181 585 A CA 1.802 53.927 52.037 0.146 0.000 0.623 585 A CB -0.681 18.382 19.000 0.105 0.000 0.818 585 A HN 0.339 nan 8.150 nan 0.000 0.443 586 S N -0.535 115.197 115.700 0.055 0.000 2.355 586 S HA -0.069 4.311 4.470 -0.149 0.000 0.222 586 S C 1.949 176.565 174.600 0.027 0.000 1.031 586 S CA 1.343 59.561 58.200 0.030 0.000 0.993 586 S CB -0.487 62.729 63.200 0.028 0.000 0.859 586 S HN 0.489 nan 8.310 nan 0.000 0.453 587 L N 1.094 122.331 121.223 0.023 0.000 2.012 587 L HA -0.105 4.145 4.340 -0.149 0.000 0.210 587 L C 2.915 179.782 176.870 -0.006 0.000 1.073 587 L CA 1.348 56.187 54.840 -0.002 0.000 0.748 587 L CB -0.856 41.181 42.059 -0.037 0.000 0.891 587 L HN 0.382 nan 8.230 nan 0.000 0.431 588 A N 0.512 123.327 122.820 -0.009 0.000 1.835 588 A HA -0.165 4.065 4.320 -0.149 0.000 0.215 588 A C 2.249 179.859 177.584 0.043 0.000 1.199 588 A CA 1.447 53.486 52.037 0.003 0.000 0.615 588 A CB -0.900 18.103 19.000 0.006 0.000 0.838 588 A HN 0.331 nan 8.150 nan 0.000 0.444 589 L N -0.790 120.460 121.223 0.045 0.000 2.081 589 L HA -0.243 4.007 4.340 -0.149 0.000 0.212 589 L C 2.837 179.814 176.870 0.178 0.000 1.080 589 L CA 2.064 56.958 54.840 0.091 0.000 0.754 589 L CB -0.564 41.465 42.059 -0.050 0.000 0.893 589 L HN 0.567 nan 8.230 nan 0.000 0.433 590 R N 0.665 121.226 120.500 0.102 0.000 2.115 590 R HA -0.202 4.049 4.340 -0.149 0.000 0.226 590 R C 2.145 178.488 176.300 0.071 0.000 1.100 590 R CA 1.469 57.626 56.100 0.095 0.000 0.980 590 R CB -0.002 30.333 30.300 0.059 0.000 0.875 590 R HN 0.330 nan 8.270 nan 0.000 0.445 591 E N 0.728 120.962 120.200 0.057 0.000 2.150 591 E HA -0.160 4.100 4.350 -0.149 0.000 0.193 591 E C 0.853 177.479 176.600 0.043 0.000 0.985 591 E CA 1.704 58.125 56.400 0.035 0.000 0.814 591 E CB 0.011 29.721 29.700 0.017 0.000 0.752 591 E HN 0.338 nan 8.360 nan 0.000 0.466 592 D N -0.921 119.529 120.400 0.083 0.000 2.363 592 D HA 0.067 4.618 4.640 -0.149 0.000 0.220 592 D C 1.142 177.451 176.300 0.016 0.000 0.994 592 D CA 1.098 55.147 54.000 0.082 0.000 0.890 592 D CB 0.640 41.533 40.800 0.155 0.000 0.906 592 D HN 0.414 nan 8.370 nan 0.000 0.530 593 G N -0.561 108.255 108.800 0.025 0.000 2.192 593 G HA2 -0.233 3.637 3.960 -0.149 0.000 0.193 593 G HA3 -0.233 3.637 3.960 -0.149 0.000 0.193 593 G C 0.016 174.867 174.900 -0.082 0.000 0.999 593 G CA -0.542 44.523 45.100 -0.057 0.000 0.659 593 G HN 0.252 nan 8.290 nan 0.000 0.503 594 Y N 0.876 121.174 120.300 -0.003 0.000 2.299 594 Y HA 0.509 4.970 4.550 -0.148 0.000 0.335 594 Y C 0.996 176.896 175.900 -0.000 0.000 1.287 594 Y CA 0.068 58.166 58.100 -0.003 0.000 1.424 594 Y CB 0.636 39.092 38.460 -0.006 0.000 1.326 594 Y HN 0.155 nan 8.280 nan 0.000 0.567 595 E N 1.335 121.652 120.200 0.195 0.000 2.089 595 E HA 0.148 4.408 4.350 -0.149 0.000 0.284 595 E C -0.936 175.724 176.600 0.100 0.000 1.023 595 E CA -0.605 55.861 56.400 0.110 0.000 0.819 595 E CB 0.440 30.185 29.700 0.075 0.000 1.076 595 E HN 0.643 nan 8.360 nan 0.000 0.396 596 T N 2.705 117.306 114.554 0.078 0.000 2.749 596 T HA 0.438 4.699 4.350 -0.149 0.000 0.295 596 T C 0.126 174.855 174.700 0.050 0.000 0.936 596 T CA -0.600 61.531 62.100 0.051 0.000 1.060 596 T CB 0.249 69.142 68.868 0.041 0.000 0.904 596 T HN 0.337 nan 8.240 nan 0.000 0.500 597 I N 3.998 124.597 120.570 0.047 0.000 2.411 597 I HA 0.370 4.450 4.170 -0.149 0.000 0.284 597 I C -0.168 175.989 176.117 0.067 0.000 1.012 597 I CA -0.911 60.438 61.300 0.081 0.000 1.119 597 I CB 1.763 39.832 38.000 0.116 0.000 1.261 597 I HN 0.581 nan 8.210 nan 0.000 0.448 598 M N 7.816 127.460 119.600 0.073 0.000 2.264 598 M HA 0.528 4.918 4.480 -0.149 0.000 0.352 598 M C -1.177 175.170 176.300 0.078 0.000 1.173 598 M CA -0.219 55.109 55.300 0.047 0.000 1.075 598 M CB 1.353 33.962 32.600 0.014 0.000 1.621 598 M HN 0.297 nan 8.290 nan 0.000 0.457 599 V N 5.427 125.360 119.914 0.031 0.000 2.357 599 V HA 0.636 4.666 4.120 -0.149 0.000 0.281 599 V C -0.734 175.326 176.094 -0.055 0.000 1.015 599 V CA -0.623 61.692 62.300 0.025 0.000 0.827 599 V CB 0.848 32.674 31.823 0.006 0.000 1.018 599 V HN 0.933 nan 8.190 nan 0.000 0.432 600 N N 2.544 121.156 118.700 -0.147 0.000 2.961 600 N HA 0.489 5.139 4.740 -0.149 0.000 0.245 600 N C -0.248 174.903 175.510 -0.598 0.000 1.404 600 N CA -0.277 52.617 53.050 -0.259 0.000 0.880 600 N CB 2.074 40.432 38.487 -0.214 0.000 1.461 600 N HN 0.606 nan 8.380 nan 0.000 0.510 601 C N -0.193 118.762 119.300 -0.575 0.000 3.098 601 C HA 0.518 4.889 4.460 -0.149 0.000 0.265 601 C C 0.203 174.929 174.990 -0.440 0.000 1.572 601 C CA -0.999 57.472 59.018 -0.912 0.000 1.788 601 C CB -1.708 25.892 27.740 -0.233 0.000 2.982 601 C HN 0.585 nan 8.230 nan 0.000 0.532 602 N N 3.203 121.703 118.700 -0.333 0.000 2.406 602 N HA 0.297 4.948 4.740 -0.149 0.000 0.251 602 N C -1.080 174.424 175.510 -0.011 0.000 1.069 602 N CA -2.105 50.885 53.050 -0.100 0.000 0.947 602 N CB 1.478 39.911 38.487 -0.089 0.000 1.111 602 N HN 0.250 nan 8.380 nan 0.000 0.497 603 P HA -0.049 nan 4.420 nan 0.000 0.229 603 P C 0.131 177.365 177.300 -0.110 0.000 1.160 603 P CA 1.093 64.265 63.100 0.121 0.000 0.777 603 P CB 0.448 32.206 31.700 0.097 0.000 0.814 604 E N -0.073 120.059 120.200 -0.113 0.000 2.299 604 E HA -0.008 4.252 4.350 -0.149 0.000 0.193 604 E C 1.002 177.500 176.600 -0.170 0.000 0.998 604 E CA 0.635 56.935 56.400 -0.167 0.000 0.851 604 E CB -0.270 29.361 29.700 -0.116 0.000 0.795 604 E HN 0.374 nan 8.360 nan 0.000 0.492 605 T N -2.347 112.127 114.554 -0.134 0.000 2.897 605 T HA 0.223 4.484 4.350 -0.149 0.000 0.278 605 T C 1.382 176.079 174.700 -0.006 0.000 0.981 605 T CA -0.806 61.269 62.100 -0.042 0.000 0.973 605 T CB 1.683 70.536 68.868 -0.025 0.000 1.092 605 T HN -0.210 nan 8.240 nan 0.000 0.543 606 V N 1.479 121.453 119.914 0.100 0.000 2.490 606 V HA -0.160 3.871 4.120 -0.149 0.000 0.250 606 V C 3.073 179.190 176.094 0.039 0.000 1.061 606 V CA 2.167 64.544 62.300 0.128 0.000 1.064 606 V CB -1.333 30.542 31.823 0.086 0.000 0.670 606 V HN 1.081 nan 8.190 nan 0.000 0.461 607 S N 1.097 116.795 115.700 -0.004 0.000 2.382 607 S HA -0.189 4.191 4.470 -0.149 0.000 0.228 607 S C 1.834 176.397 174.600 -0.062 0.000 1.027 607 S CA 1.632 59.815 58.200 -0.028 0.000 0.991 607 S CB -0.908 62.273 63.200 -0.032 0.000 0.823 607 S HN 0.721 nan 8.310 nan 0.000 0.469 608 T N -0.670 113.828 114.554 -0.092 0.000 3.272 608 T HA 0.176 4.436 4.350 -0.149 0.000 0.250 608 T C 0.012 174.646 174.700 -0.111 0.000 1.082 608 T CA -0.183 61.854 62.100 -0.104 0.000 0.968 608 T CB -0.403 68.408 68.868 -0.096 0.000 1.015 608 T HN 0.322 nan 8.240 nan 0.000 0.563 609 D N 1.291 121.641 120.400 -0.083 0.000 2.249 609 D HA 0.088 4.638 4.640 -0.149 0.000 0.246 609 D C 1.086 177.265 176.300 -0.201 0.000 1.114 609 D CA -1.006 52.928 54.000 -0.110 0.000 0.854 609 D CB 0.864 41.713 40.800 0.082 0.000 1.132 609 D HN 0.395 nan 8.370 nan 0.000 0.461 610 Y N 2.020 122.270 120.300 -0.084 0.000 2.315 610 Y HA -0.082 4.379 4.550 -0.149 0.000 0.288 610 Y C 1.319 177.205 175.900 -0.023 0.000 1.154 610 Y CA 0.798 58.835 58.100 -0.105 0.000 1.229 610 Y CB -0.533 37.866 38.460 -0.103 0.000 0.980 610 Y HN 0.253 nan 8.280 nan 0.000 0.540 611 D N 0.301 120.643 120.400 -0.096 0.000 2.264 611 D HA -0.099 4.452 4.640 -0.149 0.000 0.208 611 D C 1.724 178.033 176.300 0.014 0.000 0.966 611 D CA 1.544 55.557 54.000 0.022 0.000 0.864 611 D CB -0.133 40.625 40.800 -0.070 0.000 0.933 611 D HN 0.508 nan 8.370 nan 0.000 0.499 612 T N -0.413 114.134 114.554 -0.011 0.000 2.951 612 T HA -0.029 4.232 4.350 -0.149 0.000 0.268 612 T C 1.211 175.922 174.700 0.018 0.000 1.073 612 T CA 0.725 62.825 62.100 0.001 0.000 1.134 612 T CB 0.184 69.047 68.868 -0.008 0.000 0.884 612 T HN 0.212 nan 8.240 nan 0.000 0.479 613 S N -0.328 115.389 115.700 0.028 0.000 2.740 613 S HA 0.439 4.820 4.470 -0.149 0.000 0.300 613 S C 0.036 174.663 174.600 0.045 0.000 1.147 613 S CA -0.905 57.316 58.200 0.034 0.000 0.871 613 S CB 1.680 64.897 63.200 0.028 0.000 1.173 613 S HN -0.100 nan 8.310 nan 0.000 0.510 614 D N 0.572 120.998 120.400 0.042 0.000 2.110 614 D HA 0.117 4.668 4.640 -0.149 0.000 0.202 614 D C 0.293 176.609 176.300 0.026 0.000 0.975 614 D CA 1.158 55.181 54.000 0.039 0.000 0.839 614 D CB 0.074 40.898 40.800 0.040 0.000 0.996 614 D HN 0.447 nan 8.370 nan 0.000 0.464 615 R N 0.004 120.516 120.500 0.019 0.000 2.599 615 R HA 0.551 4.801 4.340 -0.149 0.000 0.295 615 R C -1.062 175.226 176.300 -0.021 0.000 0.963 615 R CA -0.778 55.304 56.100 -0.030 0.000 0.883 615 R CB 2.381 32.661 30.300 -0.034 0.000 1.171 615 R HN -0.068 nan 8.270 nan 0.000 0.450 616 L N 3.008 124.183 121.223 -0.079 0.000 2.372 616 L HA 0.412 4.663 4.340 -0.149 0.000 0.273 616 L C -1.726 175.142 176.870 -0.004 0.000 0.989 616 L CA -0.444 54.390 54.840 -0.010 0.000 0.841 616 L CB 0.973 43.013 42.059 -0.032 0.000 1.225 616 L HN 0.512 nan 8.230 nan 0.000 0.414 617 Y N 5.144 125.504 120.300 0.101 0.000 2.404 617 Y HA 0.322 4.782 4.550 -0.150 0.000 0.344 617 Y C -0.347 175.681 175.900 0.213 0.000 0.970 617 Y CA -0.083 58.114 58.100 0.161 0.000 1.180 617 Y CB 0.970 39.461 38.460 0.050 0.000 1.138 617 Y HN 0.543 nan 8.280 nan 0.000 0.510 618 F N 5.303 125.460 119.950 0.346 0.000 2.515 618 F HA 0.316 4.754 4.527 -0.149 0.000 0.353 618 F C -0.201 175.747 175.800 0.246 0.000 1.213 618 F CA -0.345 57.825 58.000 0.284 0.000 1.194 618 F CB -0.290 38.951 39.000 0.401 0.000 1.488 618 F HN 0.455 nan 8.300 nan 0.000 0.619 619 E N 4.572 124.911 120.200 0.232 0.000 2.446 619 E HA 0.359 4.619 4.350 -0.149 0.000 0.276 619 E C -2.798 173.850 176.600 0.081 0.000 0.969 619 E CA -2.287 54.247 56.400 0.224 0.000 0.800 619 E CB 1.485 31.333 29.700 0.247 0.000 1.341 619 E HN 0.108 nan 8.360 nan 0.000 0.460 620 P HA 0.032 nan 4.420 nan 0.000 0.268 620 P C 0.060 177.375 177.300 0.025 0.000 1.204 620 P CA -0.092 63.037 63.100 0.049 0.000 0.768 620 P CB 0.370 32.107 31.700 0.062 0.000 0.842 621 V N 3.425 123.336 119.914 -0.006 0.000 1.973 621 V HA 0.094 4.125 4.120 -0.149 0.000 0.255 621 V C 1.038 177.128 176.094 -0.007 0.000 1.605 621 V CA 0.275 62.566 62.300 -0.015 0.000 1.542 621 V CB -1.467 30.334 31.823 -0.036 0.000 1.504 621 V HN 0.669 nan 8.190 nan 0.000 0.505 622 T N -1.055 113.504 114.554 0.009 0.000 2.942 622 T HA 0.546 4.806 4.350 -0.149 0.000 0.289 622 T C 0.765 175.472 174.700 0.012 0.000 1.044 622 T CA -0.681 61.426 62.100 0.012 0.000 1.023 622 T CB 2.165 71.049 68.868 0.027 0.000 1.123 622 T HN 0.072 nan 8.240 nan 0.000 0.512 623 L N 0.878 122.107 121.223 0.011 0.000 1.970 623 L HA 0.009 4.259 4.340 -0.149 0.000 0.212 623 L C 2.732 179.616 176.870 0.023 0.000 1.071 623 L CA 2.364 57.210 54.840 0.009 0.000 0.751 623 L CB -0.921 41.144 42.059 0.009 0.000 0.889 623 L HN 1.012 nan 8.230 nan 0.000 0.432 624 E N -0.572 119.652 120.200 0.039 0.000 2.048 624 E HA -0.297 3.963 4.350 -0.149 0.000 0.202 624 E C 1.771 178.415 176.600 0.074 0.000 1.021 624 E CA 2.075 58.512 56.400 0.062 0.000 0.825 624 E CB -0.292 29.453 29.700 0.075 0.000 0.756 624 E HN 0.635 nan 8.360 nan 0.000 0.454 625 D N -0.006 120.437 120.400 0.072 0.000 2.144 625 D HA -0.138 4.412 4.640 -0.149 0.000 0.199 625 D C 2.160 178.490 176.300 0.049 0.000 0.984 625 D CA 1.199 55.251 54.000 0.087 0.000 0.834 625 D CB 0.023 40.883 40.800 0.099 0.000 0.955 625 D HN 0.178 nan 8.370 nan 0.000 0.465 626 V N 1.619 121.539 119.914 0.011 0.000 2.379 626 V HA -0.180 3.851 4.120 -0.149 0.000 0.245 626 V C 2.685 178.752 176.094 -0.046 0.000 1.044 626 V CA 0.893 63.171 62.300 -0.037 0.000 1.036 626 V CB -0.429 31.372 31.823 -0.037 0.000 0.664 626 V HN 0.174 nan 8.190 nan 0.000 0.453 627 L N -0.297 120.921 121.223 -0.009 0.000 2.079 627 L HA -0.172 4.079 4.340 -0.149 0.000 0.210 627 L C 2.747 179.614 176.870 -0.005 0.000 1.081 627 L CA 1.396 56.232 54.840 -0.006 0.000 0.752 627 L CB -0.692 41.378 42.059 0.018 0.000 0.896 627 L HN 0.342 nan 8.230 nan 0.000 0.433 628 E N 0.247 120.470 120.200 0.038 0.000 2.153 628 E HA -0.176 4.084 4.350 -0.149 0.000 0.194 628 E C 2.213 178.819 176.600 0.010 0.000 0.988 628 E CA 1.209 57.660 56.400 0.084 0.000 0.811 628 E CB -0.086 29.720 29.700 0.178 0.000 0.746 628 E HN 0.581 nan 8.360 nan 0.000 0.466 629 I N 0.218 120.709 120.570 -0.131 0.000 2.333 629 I HA -0.180 3.901 4.170 -0.149 0.000 0.246 629 I C 2.387 178.320 176.117 -0.306 0.000 1.106 629 I CA 0.491 61.531 61.300 -0.433 0.000 1.411 629 I CB -0.351 37.240 38.000 -0.682 0.000 1.082 629 I HN -0.087 nan 8.210 nan 0.000 0.420 630 V N 1.219 121.020 119.914 -0.187 0.000 2.287 630 V HA -0.316 3.715 4.120 -0.149 0.000 0.248 630 V C 2.677 178.709 176.094 -0.103 0.000 1.053 630 V CA 1.993 64.216 62.300 -0.128 0.000 1.027 630 V CB -0.900 30.872 31.823 -0.086 0.000 0.646 630 V HN 0.435 nan 8.190 nan 0.000 0.447 631 R N 0.417 120.863 120.500 -0.089 0.000 2.134 631 R HA -0.234 4.017 4.340 -0.149 0.000 0.248 631 R C 2.211 178.461 176.300 -0.083 0.000 1.143 631 R CA 2.668 58.718 56.100 -0.083 0.000 0.957 631 R CB -0.342 29.898 30.300 -0.099 0.000 0.867 631 R HN 0.755 nan 8.270 nan 0.000 0.441 632 I N -3.052 117.464 120.570 -0.090 0.000 3.462 632 I HA 0.111 4.191 4.170 -0.149 0.000 0.290 632 I C 1.527 177.606 176.117 -0.063 0.000 1.236 632 I CA 0.400 61.661 61.300 -0.066 0.000 1.418 632 I CB 0.038 38.014 38.000 -0.040 0.000 1.102 632 I HN -0.073 nan 8.210 nan 0.000 0.441 633 E N 2.034 122.176 120.200 -0.097 0.000 2.122 633 E HA -0.037 4.223 4.350 -0.149 0.000 0.190 633 E C 0.342 176.918 176.600 -0.041 0.000 0.977 633 E CA 0.394 56.753 56.400 -0.068 0.000 0.820 633 E CB -0.019 29.616 29.700 -0.108 0.000 0.770 633 E HN 0.435 nan 8.360 nan 0.000 0.462 634 K N 0.970 121.341 120.400 -0.050 0.000 3.419 634 K HA -0.143 4.087 4.320 -0.149 0.000 0.272 634 K C -2.467 174.121 176.600 -0.020 0.000 0.973 634 K CA 0.240 56.508 56.287 -0.032 0.000 0.749 634 K CB -1.026 31.461 32.500 -0.022 0.000 1.403 634 K HN 0.209 nan 8.250 nan 0.000 0.456 635 P HA -0.018 nan 4.420 nan 0.000 0.272 635 P C 0.491 177.787 177.300 -0.007 0.000 1.240 635 P CA -0.271 62.821 63.100 -0.014 0.000 0.791 635 P CB 0.909 32.589 31.700 -0.032 0.000 0.978 636 K N -0.088 120.319 120.400 0.011 0.000 2.001 636 K HA 0.022 4.253 4.320 -0.149 0.000 0.208 636 K C 0.984 177.575 176.600 -0.014 0.000 1.048 636 K CA 1.644 57.943 56.287 0.020 0.000 0.932 636 K CB -0.514 32.030 32.500 0.072 0.000 0.715 636 K HN 0.739 nan 8.250 nan 0.000 0.437 637 G N -1.020 107.753 108.800 -0.046 0.000 2.684 637 G HA2 0.488 4.358 3.960 -0.149 0.000 0.290 637 G HA3 0.488 4.358 3.960 -0.149 0.000 0.290 637 G C -1.878 172.969 174.900 -0.089 0.000 1.425 637 G CA -0.683 44.375 45.100 -0.070 0.000 0.822 637 G HN -0.012 nan 8.290 nan 0.000 0.482 638 V N 0.798 120.658 119.914 -0.089 0.000 2.531 638 V HA 0.448 4.478 4.120 -0.149 0.000 0.301 638 V C -0.343 175.683 176.094 -0.114 0.000 1.034 638 V CA -0.554 61.689 62.300 -0.094 0.000 0.865 638 V CB 1.705 33.484 31.823 -0.074 0.000 0.995 638 V HN 0.646 nan 8.190 nan 0.000 0.424 639 I N 5.101 125.585 120.570 -0.144 0.000 2.297 639 I HA 0.224 4.305 4.170 -0.149 0.000 0.291 639 I C 0.866 176.905 176.117 -0.130 0.000 1.033 639 I CA -0.146 61.039 61.300 -0.191 0.000 1.253 639 I CB 1.653 39.463 38.000 -0.317 0.000 1.396 639 I HN 0.628 nan 8.210 nan 0.000 0.476 640 V N 2.242 122.103 119.914 -0.088 0.000 3.578 640 V HA 0.153 4.184 4.120 -0.149 0.000 0.290 640 V C 1.045 177.147 176.094 0.014 0.000 1.376 640 V CA 0.214 62.493 62.300 -0.036 0.000 1.083 640 V CB -0.028 31.774 31.823 -0.034 0.000 0.911 640 V HN 0.755 nan 8.190 nan 0.000 0.433 641 Q N -0.720 119.102 119.800 0.037 0.000 2.320 641 Q HA 0.306 4.556 4.340 -0.149 0.000 0.201 641 Q C 1.010 177.273 176.000 0.438 0.000 0.910 641 Q CA 0.546 56.450 55.803 0.169 0.000 0.946 641 Q CB 0.035 28.869 28.738 0.160 0.000 1.062 641 Q HN 0.751 nan 8.270 nan 0.000 0.503 642 Y N -1.784 118.548 120.300 0.053 0.000 2.430 642 Y HA 0.376 4.837 4.550 -0.149 0.000 0.254 642 Y C 1.733 177.736 175.900 0.172 0.000 1.088 642 Y CA -0.245 57.925 58.100 0.117 0.000 1.267 642 Y CB 0.579 39.088 38.460 0.081 0.000 1.204 642 Y HN 0.065 nan 8.280 nan 0.000 0.515 643 G N -0.172 108.761 108.800 0.222 0.000 3.518 643 G HA2 0.450 4.321 3.960 -0.149 0.000 0.273 643 G HA3 0.450 4.321 3.960 -0.149 0.000 0.273 643 G C 0.833 175.650 174.900 -0.139 0.000 1.199 643 G CA 0.367 45.533 45.100 0.111 0.000 0.899 643 G HN 0.540 nan 8.290 nan 0.000 0.533 644 G N 0.179 108.778 108.800 -0.334 0.000 2.584 644 G HA2 -0.275 3.595 3.960 -0.149 0.000 0.229 644 G HA3 -0.275 3.595 3.960 -0.149 0.000 0.229 644 G C 0.821 175.517 174.900 -0.340 0.000 1.320 644 G CA 0.105 44.750 45.100 -0.759 0.000 0.891 644 G HN 0.149 nan 8.290 nan 0.000 0.573 645 Q N -0.375 119.225 119.800 -0.334 0.000 2.181 645 Q HA -0.079 4.171 4.340 -0.149 0.000 0.205 645 Q C 2.941 178.862 176.000 -0.132 0.000 0.980 645 Q CA 2.327 58.017 55.803 -0.188 0.000 0.862 645 Q CB -0.993 27.644 28.738 -0.167 0.000 0.905 645 Q HN 0.732 nan 8.270 nan 0.000 0.429 646 T N 1.722 116.195 114.554 -0.136 0.000 2.555 646 T HA -0.137 4.124 4.350 -0.149 0.000 0.264 646 T C -0.994 173.666 174.700 -0.065 0.000 1.083 646 T CA 2.037 64.084 62.100 -0.089 0.000 1.179 646 T CB -1.204 67.614 68.868 -0.082 0.000 0.863 646 T HN 0.293 nan 8.240 nan 0.000 0.412 647 P HA 0.076 nan 4.420 nan 0.000 0.217 647 P C 1.741 179.019 177.300 -0.038 0.000 1.151 647 P CA 0.607 63.683 63.100 -0.040 0.000 0.828 647 P CB -0.225 31.459 31.700 -0.026 0.000 0.788 648 L N 0.141 121.337 121.223 -0.045 0.000 2.043 648 L HA -0.165 4.085 4.340 -0.149 0.000 0.212 648 L C 2.319 179.166 176.870 -0.039 0.000 1.075 648 L CA 2.020 56.836 54.840 -0.039 0.000 0.752 648 L CB -0.730 41.298 42.059 -0.051 0.000 0.891 648 L HN -0.162 nan 8.230 nan 0.000 0.432 649 K N -0.976 119.397 120.400 -0.046 0.000 2.365 649 K HA -0.065 4.165 4.320 -0.149 0.000 0.199 649 K C 1.873 178.455 176.600 -0.031 0.000 1.045 649 K CA 0.837 57.100 56.287 -0.040 0.000 0.962 649 K CB -0.030 32.444 32.500 -0.044 0.000 0.759 649 K HN 0.370 nan 8.250 nan 0.000 0.469 650 L N -0.139 121.066 121.223 -0.030 0.000 2.375 650 L HA 0.033 4.284 4.340 -0.149 0.000 0.215 650 L C 2.412 179.268 176.870 -0.023 0.000 1.108 650 L CA 0.177 55.003 54.840 -0.025 0.000 0.830 650 L CB -0.418 41.626 42.059 -0.025 0.000 0.959 650 L HN 0.109 nan 8.230 nan 0.000 0.457 651 A N 0.922 123.727 122.820 -0.025 0.000 1.881 651 A HA -0.345 3.885 4.320 -0.149 0.000 0.219 651 A C 2.327 179.899 177.584 -0.020 0.000 1.215 651 A CA 2.432 54.455 52.037 -0.023 0.000 0.648 651 A CB -0.675 18.312 19.000 -0.023 0.000 0.832 651 A HN 0.299 nan 8.150 nan 0.000 0.455 652 R N -0.788 119.701 120.500 -0.018 0.000 2.112 652 R HA -0.192 4.058 4.340 -0.149 0.000 0.242 652 R C 2.426 178.718 176.300 -0.013 0.000 1.137 652 R CA 2.024 58.115 56.100 -0.015 0.000 0.944 652 R CB -0.584 29.708 30.300 -0.015 0.000 0.857 652 R HN 0.552 nan 8.270 nan 0.000 0.435 653 A N 0.339 123.150 122.820 -0.014 0.000 1.877 653 A HA -0.161 4.069 4.320 -0.149 0.000 0.216 653 A C 2.199 179.776 177.584 -0.011 0.000 1.186 653 A CA 1.456 53.487 52.037 -0.011 0.000 0.620 653 A CB -0.690 18.304 19.000 -0.010 0.000 0.822 653 A HN 0.312 nan 8.150 nan 0.000 0.443 654 L N -0.801 120.413 121.223 -0.015 0.000 1.989 654 L HA -0.253 3.998 4.340 -0.149 0.000 0.211 654 L C 2.767 179.627 176.870 -0.017 0.000 1.071 654 L CA 2.076 56.906 54.840 -0.018 0.000 0.749 654 L CB -0.568 41.476 42.059 -0.024 0.000 0.890 654 L HN 0.623 nan 8.230 nan 0.000 0.431 655 E N 0.221 120.411 120.200 -0.017 0.000 2.085 655 E HA -0.274 3.986 4.350 -0.149 0.000 0.194 655 E C 2.150 178.744 176.600 -0.011 0.000 0.994 655 E CA 1.289 57.680 56.400 -0.015 0.000 0.801 655 E CB -0.007 29.684 29.700 -0.015 0.000 0.743 655 E HN 0.480 nan 8.360 nan 0.000 0.453 656 A N 1.119 123.933 122.820 -0.010 0.000 1.933 656 A HA -0.052 4.179 4.320 -0.149 0.000 0.218 656 A C 2.285 179.865 177.584 -0.006 0.000 1.175 656 A CA 1.559 53.592 52.037 -0.007 0.000 0.628 656 A CB -0.573 18.423 19.000 -0.006 0.000 0.814 656 A HN 0.382 nan 8.150 nan 0.000 0.444 657 A N -1.520 121.296 122.820 -0.006 0.000 2.239 657 A HA 0.382 4.613 4.320 -0.149 0.000 0.209 657 A C 1.710 179.290 177.584 -0.007 0.000 1.171 657 A CA 1.219 53.253 52.037 -0.004 0.000 0.768 657 A CB -1.180 17.817 19.000 -0.004 0.000 0.790 657 A HN 1.952 nan 8.150 nan 0.000 0.478 658 G N -1.546 107.249 108.800 -0.009 0.000 2.137 658 G HA2 -0.172 3.698 3.960 -0.149 0.000 0.237 658 G HA3 -0.172 3.698 3.960 -0.149 0.000 0.237 658 G C 0.063 174.954 174.900 -0.016 0.000 1.002 658 G CA 0.080 45.174 45.100 -0.010 0.000 0.702 658 G HN 0.738 nan 8.290 nan 0.000 0.515 659 V N 1.599 121.501 119.914 -0.019 0.000 2.530 659 V HA 0.384 4.414 4.120 -0.149 0.000 0.282 659 V C -1.131 174.947 176.094 -0.027 0.000 1.048 659 V CA -0.978 61.307 62.300 -0.026 0.000 0.997 659 V CB 1.484 33.289 31.823 -0.030 0.000 0.987 659 V HN 0.183 nan 8.190 nan 0.000 0.477 660 P HA 0.106 nan 4.420 nan 0.000 0.226 660 P C -0.225 177.052 177.300 -0.039 0.000 1.783 660 P CA -0.132 62.950 63.100 -0.030 0.000 0.980 660 P CB -0.312 31.372 31.700 -0.028 0.000 1.967 661 V N 3.775 123.667 119.914 -0.037 0.000 2.434 661 V HA -0.045 3.986 4.120 -0.149 0.000 0.281 661 V C 1.264 177.331 176.094 -0.046 0.000 1.005 661 V CA 0.011 62.285 62.300 -0.044 0.000 1.089 661 V CB -0.927 30.874 31.823 -0.036 0.000 0.978 661 V HN 0.313 nan 8.190 nan 0.000 0.474 662 I N 2.748 123.278 120.570 -0.066 0.000 2.566 662 I HA 0.985 5.066 4.170 -0.149 0.000 0.303 662 I C 0.717 176.790 176.117 -0.073 0.000 0.983 662 I CA 0.171 61.430 61.300 -0.069 0.000 1.235 662 I CB 1.422 39.367 38.000 -0.092 0.000 1.386 662 I HN 0.855 nan 8.210 nan 0.000 0.494 663 G N 3.684 112.454 108.800 -0.051 0.000 2.508 663 G HA2 -0.177 3.693 3.960 -0.149 0.000 0.220 663 G HA3 -0.177 3.693 3.960 -0.149 0.000 0.220 663 G C -0.166 174.726 174.900 -0.013 0.000 1.287 663 G CA -0.344 44.735 45.100 -0.035 0.000 0.916 663 G HN 0.944 nan 8.290 nan 0.000 0.574 664 T N 1.327 115.882 114.554 0.001 0.000 2.822 664 T HA 0.387 4.648 4.350 -0.149 0.000 0.288 664 T C 1.311 176.012 174.700 0.002 0.000 0.991 664 T CA 1.053 63.159 62.100 0.009 0.000 1.176 664 T CB 0.547 69.426 68.868 0.018 0.000 0.951 664 T HN 1.893 nan 8.240 nan 0.000 0.526 665 S N 4.763 120.466 115.700 0.005 0.000 2.550 665 S HA 0.014 4.394 4.470 -0.149 0.000 0.285 665 S C -1.416 173.183 174.600 -0.002 0.000 1.326 665 S CA -0.939 57.261 58.200 0.001 0.000 1.037 665 S CB 0.411 63.615 63.200 0.007 0.000 0.838 665 S HN 0.390 nan 8.310 nan 0.000 0.519 666 P HA 0.058 nan 4.420 nan 0.000 0.222 666 P C 0.846 178.141 177.300 -0.008 0.000 1.153 666 P CA 1.065 64.159 63.100 -0.010 0.000 0.798 666 P CB -0.049 31.643 31.700 -0.013 0.000 0.796 667 D N -0.193 120.205 120.400 -0.004 0.000 2.097 667 D HA -0.115 4.435 4.640 -0.149 0.000 0.197 667 D C 1.997 178.299 176.300 0.002 0.000 0.984 667 D CA 1.242 55.241 54.000 -0.002 0.000 0.826 667 D CB -0.469 40.331 40.800 0.001 0.000 0.973 667 D HN -0.104 nan 8.370 nan 0.000 0.460 668 A N 0.294 123.119 122.820 0.008 0.000 1.917 668 A HA -0.197 4.034 4.320 -0.149 0.000 0.219 668 A C 2.331 179.920 177.584 0.008 0.000 1.182 668 A CA 1.320 53.367 52.037 0.016 0.000 0.633 668 A CB -0.936 18.077 19.000 0.022 0.000 0.819 668 A HN 0.415 nan 8.150 nan 0.000 0.448 669 I N -0.662 119.907 120.570 -0.002 0.000 2.099 669 I HA -0.290 3.790 4.170 -0.149 0.000 0.239 669 I C 2.334 178.435 176.117 -0.026 0.000 1.066 669 I CA 2.080 63.371 61.300 -0.015 0.000 1.324 669 I CB -0.454 37.538 38.000 -0.014 0.000 1.037 669 I HN 0.414 nan 8.210 nan 0.000 0.401 670 D N 0.427 120.814 120.400 -0.021 0.000 2.172 670 D HA -0.227 4.323 4.640 -0.149 0.000 0.196 670 D C 2.357 178.645 176.300 -0.019 0.000 0.999 670 D CA 1.276 55.262 54.000 -0.024 0.000 0.856 670 D CB 0.063 40.852 40.800 -0.019 0.000 0.934 670 D HN 0.066 nan 8.370 nan 0.000 0.453 671 R N -0.182 120.317 120.500 -0.002 0.000 2.094 671 R HA -0.163 4.087 4.340 -0.149 0.000 0.239 671 R C 2.278 178.601 176.300 0.038 0.000 1.137 671 R CA 1.433 57.550 56.100 0.027 0.000 0.943 671 R CB -0.682 29.646 30.300 0.046 0.000 0.850 671 R HN 0.271 nan 8.270 nan 0.000 0.433 672 A N 1.384 124.193 122.820 -0.019 0.000 1.969 672 A HA -0.157 4.074 4.320 -0.149 0.000 0.218 672 A C 1.910 179.314 177.584 -0.300 0.000 1.169 672 A CA 1.378 53.322 52.037 -0.154 0.000 0.635 672 A CB -0.208 18.697 19.000 -0.158 0.000 0.810 672 A HN 0.401 nan 8.150 nan 0.000 0.445 673 E N 0.174 120.277 120.200 -0.161 0.000 2.122 673 E HA -0.072 4.188 4.350 -0.149 0.000 0.190 673 E C 0.111 176.655 176.600 -0.093 0.000 0.977 673 E CA 0.230 56.539 56.400 -0.151 0.000 0.820 673 E CB -0.409 29.227 29.700 -0.106 0.000 0.770 673 E HN 0.570 nan 8.360 nan 0.000 0.462 674 D N 2.310 122.687 120.400 -0.038 0.000 2.346 674 D HA -0.054 4.496 4.640 -0.149 0.000 0.267 674 D C 1.243 177.585 176.300 0.071 0.000 1.320 674 D CA -0.108 53.894 54.000 0.003 0.000 0.951 674 D CB 0.549 41.344 40.800 -0.008 0.000 1.079 674 D HN 0.039 nan 8.370 nan 0.000 0.509 675 R N 3.748 124.293 120.500 0.075 0.000 2.178 675 R HA -0.258 3.993 4.340 -0.149 0.000 0.257 675 R C 1.517 177.948 176.300 0.218 0.000 1.163 675 R CA 1.293 57.490 56.100 0.162 0.000 0.981 675 R CB -0.599 29.763 30.300 0.103 0.000 0.878 675 R HN 0.556 nan 8.270 nan 0.000 0.454 676 E N 0.429 120.707 120.200 0.130 0.000 2.051 676 E HA -0.005 4.255 4.350 -0.149 0.000 0.189 676 E C 2.243 178.842 176.600 -0.003 0.000 0.979 676 E CA 0.241 56.709 56.400 0.114 0.000 0.803 676 E CB 0.137 29.854 29.700 0.028 0.000 0.761 676 E HN 0.243 nan 8.360 nan 0.000 0.451 677 R N -0.220 120.230 120.500 -0.083 0.000 2.193 677 R HA -0.130 4.121 4.340 -0.149 0.000 0.229 677 R C 2.119 178.475 176.300 0.093 0.000 1.110 677 R CA 0.738 56.755 56.100 -0.138 0.000 0.988 677 R CB -0.222 30.049 30.300 -0.048 0.000 0.871 677 R HN 0.230 nan 8.270 nan 0.000 0.458 678 F N 1.791 121.743 119.950 0.003 0.000 2.147 678 F HA -0.051 4.387 4.527 -0.147 0.000 0.291 678 F C 2.353 178.207 175.800 0.090 0.000 1.093 678 F CA 1.131 59.155 58.000 0.040 0.000 1.263 678 F CB -0.428 38.586 39.000 0.022 0.000 1.036 678 F HN -0.135 nan 8.300 nan 0.000 0.481 679 Q N -0.620 119.171 119.800 -0.014 0.000 2.152 679 Q HA -0.278 3.972 4.340 -0.149 0.000 0.206 679 Q C 2.073 178.039 176.000 -0.056 0.000 0.985 679 Q CA 2.089 57.819 55.803 -0.122 0.000 0.863 679 Q CB -0.361 28.413 28.738 0.060 0.000 0.904 679 Q HN 0.539 nan 8.270 nan 0.000 0.422 680 H N -0.475 118.545 119.070 -0.083 0.000 2.290 680 H HA -0.110 4.356 4.556 -0.150 0.000 0.298 680 H C 1.832 177.118 175.328 -0.071 0.000 1.087 680 H CA 1.684 57.702 56.048 -0.050 0.000 1.291 680 H CB -0.349 29.411 29.762 -0.004 0.000 1.369 680 H HN 0.339 nan 8.280 nan 0.000 0.492 681 A N -0.015 122.840 122.820 0.059 0.000 2.066 681 A HA -0.028 4.202 4.320 -0.149 0.000 0.218 681 A C 2.591 180.122 177.584 -0.089 0.000 1.157 681 A CA 1.056 53.097 52.037 0.007 0.000 0.670 681 A CB -0.566 18.472 19.000 0.063 0.000 0.804 681 A HN 0.273 nan 8.150 nan 0.000 0.453 682 V N -0.289 119.474 119.914 -0.251 0.000 2.379 682 V HA -0.160 3.870 4.120 -0.149 0.000 0.245 682 V C 2.631 178.636 176.094 -0.149 0.000 1.044 682 V CA 2.246 64.371 62.300 -0.291 0.000 1.036 682 V CB -0.355 31.146 31.823 -0.536 0.000 0.664 682 V HN 0.535 nan 8.190 nan 0.000 0.453 683 E N 0.513 120.632 120.200 -0.135 0.000 2.033 683 E HA -0.272 3.988 4.350 -0.149 0.000 0.199 683 E C 2.283 178.848 176.600 -0.058 0.000 1.011 683 E CA 2.014 58.359 56.400 -0.092 0.000 0.815 683 E CB -0.477 29.164 29.700 -0.097 0.000 0.755 683 E HN 0.515 nan 8.360 nan 0.000 0.451 684 R N 0.123 120.600 120.500 -0.038 0.000 2.134 684 R HA -0.165 4.085 4.340 -0.149 0.000 0.248 684 R C 2.289 178.584 176.300 -0.008 0.000 1.143 684 R CA 2.079 58.173 56.100 -0.011 0.000 0.957 684 R CB -0.470 29.839 30.300 0.014 0.000 0.867 684 R HN 0.251 nan 8.270 nan 0.000 0.441 685 L N 0.212 121.429 121.223 -0.010 0.000 2.554 685 L HA 0.167 4.417 4.340 -0.149 0.000 0.226 685 L C 0.017 176.882 176.870 -0.008 0.000 1.137 685 L CA 0.105 54.948 54.840 0.004 0.000 0.863 685 L CB -0.248 41.826 42.059 0.025 0.000 0.985 685 L HN 0.115 nan 8.230 nan 0.000 0.451 686 K N 1.325 121.708 120.400 -0.027 0.000 4.854 686 K HA -0.095 4.136 4.320 -0.149 0.000 0.338 686 K C -0.978 175.602 176.600 -0.032 0.000 1.013 686 K CA 0.476 56.743 56.287 -0.033 0.000 1.072 686 K CB -1.257 31.227 32.500 -0.026 0.000 1.642 686 K HN 0.216 nan 8.250 nan 0.000 0.426 687 L N 0.538 121.735 121.223 -0.044 0.000 2.283 687 L HA 0.522 4.772 4.340 -0.149 0.000 0.259 687 L C 0.173 177.011 176.870 -0.055 0.000 1.027 687 L CA -1.303 53.515 54.840 -0.036 0.000 0.828 687 L CB 1.704 43.758 42.059 -0.009 0.000 1.380 687 L HN 0.061 nan 8.230 nan 0.000 0.425 688 K N 2.191 122.556 120.400 -0.058 0.000 2.234 688 K HA 0.384 4.614 4.320 -0.149 0.000 0.277 688 K C -1.075 175.536 176.600 0.018 0.000 1.038 688 K CA -0.144 56.088 56.287 -0.091 0.000 0.888 688 K CB 1.637 33.958 32.500 -0.297 0.000 1.091 688 K HN 0.513 nan 8.250 nan 0.000 0.467 689 Q N 3.442 123.285 119.800 0.072 0.000 2.359 689 Q HA 0.389 4.640 4.340 -0.149 0.000 0.274 689 Q C -2.445 173.677 176.000 0.204 0.000 1.074 689 Q CA -2.000 53.886 55.803 0.139 0.000 0.810 689 Q CB 2.258 31.011 28.738 0.024 0.000 1.342 689 Q HN 0.301 nan 8.270 nan 0.000 0.427 690 P HA 0.068 nan 4.420 nan 0.000 0.269 690 P C -1.134 176.243 177.300 0.129 0.000 1.209 690 P CA -0.026 63.189 63.100 0.192 0.000 0.776 690 P CB 0.474 32.246 31.700 0.121 0.000 0.876 691 A N 3.150 126.034 122.820 0.106 0.000 2.531 691 A HA 0.303 4.533 4.320 -0.149 0.000 0.236 691 A C 0.563 178.185 177.584 0.063 0.000 1.062 691 A CA 0.231 52.301 52.037 0.056 0.000 0.760 691 A CB -0.779 18.225 19.000 0.007 0.000 0.995 691 A HN 0.798 nan 8.150 nan 0.000 0.501 692 N N -0.442 118.282 118.700 0.041 0.000 2.831 692 N HA 0.833 5.483 4.740 -0.149 0.000 0.276 692 N C -0.897 174.628 175.510 0.024 0.000 1.416 692 N CA -0.214 52.859 53.050 0.038 0.000 0.799 692 N CB 1.811 40.330 38.487 0.054 0.000 1.554 692 N HN 1.055 nan 8.380 nan 0.000 0.541 693 A N -0.879 121.956 122.820 0.026 0.000 2.605 693 A HA 0.681 4.911 4.320 -0.149 0.000 0.294 693 A C -1.571 176.036 177.584 0.038 0.000 1.062 693 A CA -0.733 51.319 52.037 0.026 0.000 0.682 693 A CB 1.382 20.392 19.000 0.016 0.000 1.278 693 A HN 0.593 nan 8.150 nan 0.000 0.410 694 T N 1.906 116.485 114.554 0.042 0.000 3.060 694 T HA 0.484 4.745 4.350 -0.149 0.000 0.367 694 T C -0.462 174.269 174.700 0.051 0.000 1.229 694 T CA -0.196 61.934 62.100 0.050 0.000 1.104 694 T CB 0.294 69.193 68.868 0.051 0.000 1.083 694 T HN 0.611 nan 8.240 nan 0.000 0.524 695 V N 3.059 123.014 119.914 0.067 0.000 2.509 695 V HA 0.309 4.340 4.120 -0.149 0.000 0.284 695 V C 1.180 177.320 176.094 0.076 0.000 1.047 695 V CA -0.293 62.049 62.300 0.070 0.000 0.952 695 V CB 1.449 33.332 31.823 0.101 0.000 0.988 695 V HN 0.807 nan 8.190 nan 0.000 0.469 696 T N 2.073 116.651 114.554 0.041 0.000 3.044 696 T HA 0.300 4.560 4.350 -0.149 0.000 0.237 696 T C 0.801 175.504 174.700 0.006 0.000 1.001 696 T CA 0.799 62.919 62.100 0.034 0.000 1.160 696 T CB 0.280 69.159 68.868 0.018 0.000 0.889 696 T HN 0.789 nan 8.240 nan 0.000 0.442 697 A N 0.403 123.198 122.820 -0.041 0.000 2.252 697 A HA 0.632 4.862 4.320 -0.149 0.000 0.305 697 A C 0.914 178.347 177.584 -0.252 0.000 1.097 697 A CA -0.457 51.514 52.037 -0.110 0.000 0.849 697 A CB 0.200 19.149 19.000 -0.084 0.000 1.142 697 A HN 0.177 nan 8.150 nan 0.000 0.499 698 I N 0.040 120.378 120.570 -0.386 0.000 2.206 698 I HA -0.068 4.013 4.170 -0.149 0.000 0.239 698 I C 2.088 177.968 176.117 -0.394 0.000 1.078 698 I CA 1.217 62.081 61.300 -0.727 0.000 1.367 698 I CB -0.704 36.876 38.000 -0.701 0.000 1.078 698 I HN 0.629 nan 8.210 nan 0.000 0.413 699 E N 0.400 120.473 120.200 -0.212 0.000 2.171 699 E HA -0.285 3.975 4.350 -0.149 0.000 0.197 699 E C 2.135 178.695 176.600 -0.067 0.000 0.997 699 E CA 1.275 57.614 56.400 -0.103 0.000 0.810 699 E CB -0.644 29.015 29.700 -0.068 0.000 0.738 699 E HN 0.542 nan 8.360 nan 0.000 0.467 700 M N 0.414 119.965 119.600 -0.081 0.000 2.065 700 M HA -0.217 4.174 4.480 -0.149 0.000 0.259 700 M C 2.177 178.469 176.300 -0.013 0.000 1.069 700 M CA 2.198 57.474 55.300 -0.040 0.000 1.110 700 M CB -0.082 32.493 32.600 -0.042 0.000 1.328 700 M HN 0.110 nan 8.290 nan 0.000 0.405 701 A N -0.406 122.402 122.820 -0.020 0.000 1.877 701 A HA -0.112 4.118 4.320 -0.149 0.000 0.216 701 A C 1.993 179.625 177.584 0.081 0.000 1.186 701 A CA 1.855 53.926 52.037 0.058 0.000 0.620 701 A CB -1.228 17.869 19.000 0.162 0.000 0.822 701 A HN 0.451 nan 8.150 nan 0.000 0.443 702 V N 0.299 120.260 119.914 0.080 0.000 2.546 702 V HA -0.270 3.760 4.120 -0.149 0.000 0.254 702 V C 2.507 178.668 176.094 0.111 0.000 1.076 702 V CA 2.497 64.879 62.300 0.136 0.000 1.087 702 V CB -0.841 31.046 31.823 0.107 0.000 0.674 702 V HN 0.745 nan 8.190 nan 0.000 0.470 703 E N 0.878 121.113 120.200 0.059 0.000 2.021 703 E HA -0.162 4.099 4.350 -0.149 0.000 0.189 703 E C 2.124 178.748 176.600 0.039 0.000 0.980 703 E CA 1.256 57.684 56.400 0.046 0.000 0.803 703 E CB -0.288 29.426 29.700 0.023 0.000 0.766 703 E HN 0.314 nan 8.360 nan 0.000 0.449 704 K N 0.244 120.659 120.400 0.025 0.000 2.152 704 K HA -0.001 4.229 4.320 -0.149 0.000 0.206 704 K C 1.829 178.422 176.600 -0.011 0.000 1.048 704 K CA 1.250 57.544 56.287 0.011 0.000 0.933 704 K CB -0.608 31.900 32.500 0.013 0.000 0.721 704 K HN 0.258 nan 8.250 nan 0.000 0.447 705 A N 0.601 123.411 122.820 -0.016 0.000 1.877 705 A HA -0.220 4.010 4.320 -0.149 0.000 0.216 705 A C 1.954 179.469 177.584 -0.116 0.000 1.186 705 A CA 1.908 53.860 52.037 -0.141 0.000 0.620 705 A CB -0.430 18.470 19.000 -0.167 0.000 0.822 705 A HN 0.235 nan 8.150 nan 0.000 0.443 706 K N -0.201 120.244 120.400 0.074 0.000 2.074 706 K HA -0.193 4.037 4.320 -0.149 0.000 0.209 706 K C 2.074 178.710 176.600 0.060 0.000 1.048 706 K CA 1.820 58.194 56.287 0.145 0.000 0.926 706 K CB -0.174 32.407 32.500 0.135 0.000 0.713 706 K HN 0.655 nan 8.250 nan 0.000 0.444 707 E N 0.249 120.462 120.200 0.021 0.000 2.012 707 E HA -0.229 4.031 4.350 -0.149 0.000 0.197 707 E C 2.015 178.601 176.600 -0.024 0.000 1.007 707 E CA 1.692 58.093 56.400 0.001 0.000 0.816 707 E CB -0.150 29.548 29.700 -0.003 0.000 0.762 707 E HN 0.166 nan 8.360 nan 0.000 0.451 708 I N -0.113 120.429 120.570 -0.046 0.000 2.069 708 I HA -0.195 3.885 4.170 -0.149 0.000 0.237 708 I C 1.114 177.177 176.117 -0.090 0.000 1.053 708 I CA 1.549 62.812 61.300 -0.063 0.000 1.311 708 I CB -0.294 37.671 38.000 -0.057 0.000 1.030 708 I HN 0.334 nan 8.210 nan 0.000 0.398 709 G N -1.033 107.712 108.800 -0.092 0.000 3.400 709 G HA2 -0.105 3.765 3.960 -0.149 0.000 0.679 709 G HA3 -0.105 3.765 3.960 -0.149 0.000 0.679 709 G C -0.803 174.152 174.900 0.092 0.000 1.239 709 G CA -1.092 44.003 45.100 -0.009 0.000 1.049 709 G HN 0.038 nan 8.290 nan 0.000 0.539 710 Y N 2.255 122.653 120.300 0.163 0.000 2.480 710 Y HA 0.425 4.885 4.550 -0.151 0.000 0.338 710 Y C -0.864 175.198 175.900 0.270 0.000 1.220 710 Y CA -0.673 57.537 58.100 0.184 0.000 1.430 710 Y CB 0.451 38.994 38.460 0.138 0.000 1.311 710 Y HN 0.500 nan 8.280 nan 0.000 0.575 711 P HA 0.293 nan 4.420 nan 0.000 0.279 711 P C -1.225 176.129 177.300 0.091 0.000 1.252 711 P CA -0.365 62.910 63.100 0.290 0.000 0.811 711 P CB 1.291 33.204 31.700 0.356 0.000 1.035 712 L N 0.830 122.012 121.223 -0.069 0.000 2.313 712 L HA 0.477 4.728 4.340 -0.149 0.000 0.268 712 L C -0.290 176.447 176.870 -0.222 0.000 1.010 712 L CA -0.810 53.944 54.840 -0.143 0.000 0.814 712 L CB 1.895 43.813 42.059 -0.235 0.000 1.304 712 L HN 0.059 nan 8.230 nan 0.000 0.441 713 V N 2.294 122.111 119.914 -0.161 0.000 2.325 713 V HA 0.312 4.343 4.120 -0.149 0.000 0.280 713 V C -0.691 175.289 176.094 -0.190 0.000 1.016 713 V CA -0.731 61.460 62.300 -0.181 0.000 0.818 713 V CB 1.660 33.448 31.823 -0.059 0.000 1.019 713 V HN 0.426 nan 8.190 nan 0.000 0.434 714 V N 5.301 125.032 119.914 -0.305 0.000 2.372 714 V HA 0.463 4.493 4.120 -0.149 0.000 0.261 714 V C 0.458 176.435 176.094 -0.195 0.000 1.055 714 V CA -0.634 61.476 62.300 -0.316 0.000 0.930 714 V CB 0.022 31.454 31.823 -0.651 0.000 1.031 714 V HN 0.721 nan 8.190 nan 0.000 0.479 715 R N 4.726 125.170 120.500 -0.093 0.000 2.428 715 R HA 0.645 4.895 4.340 -0.149 0.000 0.294 715 R C -2.109 174.192 176.300 0.001 0.000 1.000 715 R CA -1.067 55.010 56.100 -0.038 0.000 0.960 715 R CB 1.802 32.093 30.300 -0.016 0.000 1.076 715 R HN 0.577 nan 8.270 nan 0.000 0.475 725 M N 1.830 121.418 119.600 -0.020 0.000 2.327 725 M HA 0.586 4.977 4.480 -0.149 0.000 0.298 725 M C -0.653 175.594 176.300 -0.089 0.000 1.065 725 M CA -0.197 55.070 55.300 -0.055 0.000 0.916 725 M CB 2.419 34.994 32.600 -0.042 0.000 1.630 725 M HN 0.937 nan 8.290 nan 0.000 0.442 726 E N 3.274 123.366 120.200 -0.181 0.000 2.408 726 E HA 0.617 4.877 4.350 -0.149 0.000 0.275 726 E C -1.832 174.529 176.600 -0.397 0.000 0.935 726 E CA -0.667 55.587 56.400 -0.244 0.000 0.775 726 E CB 2.127 31.733 29.700 -0.156 0.000 1.277 726 E HN 0.674 nan 8.360 nan 0.000 0.455 727 I N 3.134 123.437 120.570 -0.445 0.000 2.354 727 I HA 0.375 4.455 4.170 -0.149 0.000 0.292 727 I C -0.634 175.006 176.117 -0.794 0.000 0.989 727 I CA -1.096 59.816 61.300 -0.646 0.000 1.188 727 I CB 1.539 39.082 38.000 -0.761 0.000 1.342 727 I HN 0.317 nan 8.210 nan 0.000 0.457 728 V N 6.293 125.785 119.914 -0.702 0.000 2.667 728 V HA 0.282 4.312 4.120 -0.149 0.000 0.308 728 V C -0.283 175.538 176.094 -0.455 0.000 1.048 728 V CA -0.303 61.680 62.300 -0.529 0.000 0.928 728 V CB 1.687 33.356 31.823 -0.256 0.000 1.004 728 V HN 0.623 nan 8.190 nan 0.000 0.444 729 Y N 0.675 121.042 120.300 0.111 0.000 2.607 729 Y HA 0.280 4.741 4.550 -0.148 0.000 0.276 729 Y C 0.615 176.559 175.900 0.072 0.000 1.117 729 Y CA -0.449 57.741 58.100 0.150 0.000 1.273 729 Y CB 0.386 38.879 38.460 0.054 0.000 1.282 729 Y HN 0.801 nan 8.280 nan 0.000 0.514 730 D N -1.553 118.848 120.400 0.002 0.000 2.592 730 D HA 0.138 4.688 4.640 -0.149 0.000 0.263 730 D C 0.602 176.651 176.300 -0.418 0.000 1.132 730 D CA -0.781 52.899 54.000 -0.533 0.000 0.996 730 D CB 0.728 41.365 40.800 -0.273 0.000 1.442 730 D HN -0.063 nan 8.370 nan 0.000 0.486 731 E N -0.017 119.875 120.200 -0.513 0.000 2.065 731 E HA -0.356 3.905 4.350 -0.149 0.000 0.201 731 E C 1.952 178.572 176.600 0.034 0.000 1.016 731 E CA 1.884 58.224 56.400 -0.100 0.000 0.818 731 E CB -0.311 29.349 29.700 -0.067 0.000 0.749 731 E HN 0.536 nan 8.360 nan 0.000 0.453 732 A N 1.191 124.007 122.820 -0.006 0.000 1.869 732 A HA -0.298 3.933 4.320 -0.149 0.000 0.218 732 A C 1.960 179.594 177.584 0.083 0.000 1.203 732 A CA 2.347 54.406 52.037 0.037 0.000 0.638 732 A CB -1.090 17.918 19.000 0.013 0.000 0.831 732 A HN 0.383 nan 8.150 nan 0.000 0.450 733 D N -1.144 119.304 120.400 0.079 0.000 2.149 733 D HA -0.164 4.387 4.640 -0.149 0.000 0.194 733 D C 1.737 178.124 176.300 0.146 0.000 1.001 733 D CA 1.345 55.413 54.000 0.113 0.000 0.849 733 D CB -0.133 40.743 40.800 0.127 0.000 0.939 733 D HN 0.277 nan 8.370 nan 0.000 0.449 734 L N 0.921 122.264 121.223 0.200 0.000 2.027 734 L HA -0.072 4.178 4.340 -0.149 0.000 0.206 734 L C 2.015 179.148 176.870 0.438 0.000 1.074 734 L CA 1.619 56.627 54.840 0.279 0.000 0.745 734 L CB -0.584 41.714 42.059 0.398 0.000 0.898 734 L HN 0.039 nan 8.230 nan 0.000 0.433 735 R N -0.866 119.855 120.500 0.369 0.000 2.062 735 R HA -0.155 4.096 4.340 -0.149 0.000 0.231 735 R C 2.286 178.769 176.300 0.305 0.000 1.136 735 R CA 1.134 57.460 56.100 0.378 0.000 0.948 735 R CB -0.935 29.484 30.300 0.198 0.000 0.845 735 R HN 0.283 nan 8.270 nan 0.000 0.430 736 R N 0.795 121.413 120.500 0.197 0.000 2.165 736 R HA -0.273 3.977 4.340 -0.149 0.000 0.254 736 R C 2.095 178.474 176.300 0.131 0.000 1.153 736 R CA 2.186 58.366 56.100 0.133 0.000 0.971 736 R CB -0.504 29.863 30.300 0.111 0.000 0.878 736 R HN 0.418 nan 8.270 nan 0.000 0.449 737 Y N -0.012 120.290 120.300 0.004 0.000 2.092 737 Y HA -0.250 4.201 4.550 -0.165 0.000 0.282 737 Y C 1.994 177.846 175.900 -0.080 0.000 1.126 737 Y CA 1.970 60.006 58.100 -0.106 0.000 1.111 737 Y CB -0.794 37.498 38.460 -0.280 0.000 0.987 737 Y HN -0.046 nan 8.280 nan 0.000 0.489 738 F N 1.549 121.554 119.950 0.091 0.000 2.127 738 F HA -0.416 4.028 4.527 -0.139 0.000 0.299 738 F C 2.638 178.364 175.800 -0.124 0.000 1.068 738 F CA 2.193 60.181 58.000 -0.021 0.000 1.263 738 F CB -1.152 37.909 39.000 0.102 0.000 1.016 738 F HN 0.349 nan 8.300 nan 0.000 0.491 739 Q N 0.233 120.091 119.800 0.097 0.000 1.856 739 Q HA -0.250 4.000 4.340 -0.149 0.000 0.233 739 Q C 2.326 178.285 176.000 -0.068 0.000 0.995 739 Q CA 3.129 58.947 55.803 0.025 0.000 0.877 739 Q CB -0.608 28.146 28.738 0.026 0.000 0.937 739 Q HN 0.451 nan 8.270 nan 0.000 0.423 740 T N -0.941 113.539 114.554 -0.123 0.000 2.869 740 T HA -0.033 4.228 4.350 -0.149 0.000 0.270 740 T C 0.896 175.437 174.700 -0.264 0.000 1.082 740 T CA 0.618 62.621 62.100 -0.163 0.000 1.123 740 T CB -0.671 68.110 68.868 -0.144 0.000 0.856 740 T HN 0.512 nan 8.240 nan 0.000 0.499 751 L N 5.418 126.666 121.223 0.043 0.000 2.292 751 L HA 0.593 4.843 4.340 -0.149 0.000 0.284 751 L C -0.548 176.322 176.870 -0.001 0.000 1.065 751 L CA -0.223 54.634 54.840 0.028 0.000 0.806 751 L CB 1.246 43.321 42.059 0.026 0.000 1.175 751 L HN 0.404 nan 8.230 nan 0.000 0.431 752 L N 3.353 124.579 121.223 0.004 0.000 2.307 752 L HA 0.508 4.759 4.340 -0.149 0.000 0.284 752 L C -0.938 175.925 176.870 -0.012 0.000 1.023 752 L CA -0.244 54.580 54.840 -0.028 0.000 0.810 752 L CB 1.430 43.477 42.059 -0.021 0.000 1.231 752 L HN 0.523 nan 8.230 nan 0.000 0.423 753 D N 0.263 120.649 120.400 -0.022 0.000 2.896 753 D HA 0.255 4.806 4.640 -0.149 0.000 0.241 753 D C -0.772 175.553 176.300 0.042 0.000 1.188 753 D CA -0.471 53.544 54.000 0.024 0.000 0.879 753 D CB 1.160 41.983 40.800 0.037 0.000 1.553 753 D HN 0.410 nan 8.370 nan 0.000 0.515 754 H N 1.374 120.433 119.070 -0.018 0.000 3.001 754 H HA 0.105 4.573 4.556 -0.147 0.000 0.334 754 H C -0.975 174.366 175.328 0.022 0.000 1.034 754 H CA 0.183 56.218 56.048 -0.021 0.000 1.420 754 H CB 0.222 29.956 29.762 -0.047 0.000 1.405 754 H HN 0.279 nan 8.280 nan 0.000 0.593 755 F N 6.559 125.998 119.950 -0.853 0.000 2.375 755 F HA 0.229 4.671 4.527 -0.142 0.000 0.362 755 F C -0.651 174.695 175.800 -0.756 0.000 1.129 755 F CA -0.937 56.685 58.000 -0.630 0.000 1.154 755 F CB 0.131 38.936 39.000 -0.324 0.000 1.205 755 F HN 0.531 nan 8.300 nan 0.000 0.513 756 L N 5.997 126.489 121.223 -1.219 0.000 2.451 756 L HA 0.084 4.334 4.340 -0.149 0.000 0.272 756 L C 0.154 176.328 176.870 -1.160 0.000 1.258 756 L CA -0.181 54.068 54.840 -0.984 0.000 1.132 756 L CB -0.856 40.798 42.059 -0.676 0.000 1.361 756 L HN 0.542 nan 8.230 nan 0.000 0.438 757 D N 1.955 121.811 120.400 -0.906 0.000 2.423 757 D HA -0.002 4.548 4.640 -0.149 0.000 0.238 757 D C 0.269 176.426 176.300 -0.240 0.000 1.142 757 D CA 0.192 53.904 54.000 -0.480 0.000 0.884 757 D CB 0.578 41.304 40.800 -0.122 0.000 1.199 757 D HN 0.498 nan 8.370 nan 0.000 0.438 758 D N 0.356 120.700 120.400 -0.094 0.000 2.697 758 D HA -0.148 4.402 4.640 -0.149 0.000 0.235 758 D C -1.046 175.214 176.300 -0.067 0.000 1.167 758 D CA 0.941 54.919 54.000 -0.038 0.000 0.656 758 D CB -0.897 39.896 40.800 -0.012 0.000 1.025 758 D HN 0.388 nan 8.370 nan 0.000 0.419 759 A N -0.317 122.448 122.820 -0.092 0.000 2.384 759 A HA 0.749 4.980 4.320 -0.149 0.000 0.312 759 A C -0.109 177.459 177.584 -0.026 0.000 1.113 759 A CA -0.686 51.303 52.037 -0.079 0.000 0.779 759 A CB 1.670 20.580 19.000 -0.151 0.000 1.307 759 A HN 0.134 nan 8.150 nan 0.000 0.436 760 V N 1.585 121.488 119.914 -0.019 0.000 2.465 760 V HA 0.270 4.301 4.120 -0.149 0.000 0.279 760 V C 0.412 176.494 176.094 -0.021 0.000 1.045 760 V CA -0.240 62.055 62.300 -0.008 0.000 0.938 760 V CB 1.129 32.932 31.823 -0.034 0.000 0.986 760 V HN 0.973 nan 8.190 nan 0.000 0.467 761 E N 3.544 123.716 120.200 -0.047 0.000 2.266 761 E HA 0.644 4.904 4.350 -0.149 0.000 0.277 761 E C -1.451 174.869 176.600 -0.468 0.000 1.018 761 E CA -0.398 55.879 56.400 -0.205 0.000 0.840 761 E CB 1.760 31.380 29.700 -0.133 0.000 1.082 761 E HN 0.478 nan 8.360 nan 0.000 0.395 762 V N 3.612 123.321 119.914 -0.342 0.000 2.841 762 V HA 0.320 4.350 4.120 -0.149 0.000 0.310 762 V C -0.912 175.156 176.094 -0.043 0.000 1.090 762 V CA -0.942 61.244 62.300 -0.190 0.000 0.930 762 V CB 2.275 34.132 31.823 0.058 0.000 1.014 762 V HN 0.743 nan 8.190 nan 0.000 0.425 763 D N 1.685 122.128 120.400 0.073 0.000 2.362 763 D HA 0.648 5.199 4.640 -0.149 0.000 0.247 763 D C -1.268 175.140 176.300 0.181 0.000 1.050 763 D CA -0.094 54.003 54.000 0.161 0.000 0.839 763 D CB 2.622 43.566 40.800 0.240 0.000 1.283 763 D HN 0.279 nan 8.370 nan 0.000 0.477 764 V N 2.919 122.937 119.914 0.173 0.000 2.443 764 V HA 0.267 4.297 4.120 -0.149 0.000 0.293 764 V C -0.518 175.641 176.094 0.107 0.000 1.021 764 V CA -0.881 61.517 62.300 0.164 0.000 0.848 764 V CB 2.041 34.002 31.823 0.230 0.000 0.998 764 V HN 0.378 nan 8.190 nan 0.000 0.424 765 D N 3.543 123.997 120.400 0.089 0.000 2.192 765 D HA 0.852 5.402 4.640 -0.149 0.000 0.246 765 D C -0.063 176.264 176.300 0.046 0.000 1.042 765 D CA 0.159 54.195 54.000 0.060 0.000 0.847 765 D CB 2.333 43.165 40.800 0.054 0.000 1.186 765 D HN 0.829 nan 8.370 nan 0.000 0.461 766 A N 1.946 124.785 122.820 0.033 0.000 2.602 766 A HA 0.732 4.963 4.320 -0.149 0.000 0.290 766 A C -1.401 176.190 177.584 0.013 0.000 1.114 766 A CA -0.673 51.375 52.037 0.019 0.000 0.683 766 A CB 1.232 20.238 19.000 0.010 0.000 1.281 766 A HN 0.461 nan 8.150 nan 0.000 0.416 767 I N 0.244 120.817 120.570 0.005 0.000 2.465 767 I HA 0.518 4.598 4.170 -0.149 0.000 0.291 767 I C -0.621 175.483 176.117 -0.022 0.000 1.014 767 I CA -0.518 60.788 61.300 0.010 0.000 1.093 767 I CB 1.529 39.548 38.000 0.031 0.000 1.267 767 I HN 0.682 nan 8.210 nan 0.000 0.431 768 C N 5.227 124.505 119.300 -0.036 0.000 2.563 768 C HA 0.549 4.919 4.460 -0.149 0.000 0.314 768 C C 0.117 175.108 174.990 0.002 0.000 1.199 768 C CA -0.320 58.653 59.018 -0.075 0.000 1.564 768 C CB 1.221 28.830 27.740 -0.219 0.000 2.173 768 C HN 0.942 nan 8.230 nan 0.000 0.485 769 D N 1.377 121.808 120.400 0.052 0.000 2.535 769 D HA 0.315 4.866 4.640 -0.149 0.000 0.229 769 D C 1.258 177.628 176.300 0.116 0.000 1.238 769 D CA 0.582 54.627 54.000 0.075 0.000 0.824 769 D CB 0.050 40.892 40.800 0.069 0.000 1.045 769 D HN 1.386 nan 8.370 nan 0.000 0.500 770 G N 0.851 109.764 108.800 0.188 0.000 2.336 770 G HA2 -0.390 3.480 3.960 -0.149 0.000 0.233 770 G HA3 -0.390 3.480 3.960 -0.149 0.000 0.233 770 G C 1.045 176.134 174.900 0.316 0.000 1.053 770 G CA 0.377 45.635 45.100 0.263 0.000 0.625 770 G HN 0.406 nan 8.290 nan 0.000 0.511 771 E N -0.298 120.047 120.200 0.241 0.000 2.127 771 E HA 0.400 4.661 4.350 -0.149 0.000 0.191 771 E C 1.417 178.169 176.600 0.253 0.000 0.964 771 E CA 1.068 57.567 56.400 0.165 0.000 0.832 771 E CB 0.137 29.899 29.700 0.104 0.000 0.790 771 E HN 0.738 nan 8.360 nan 0.000 0.465 772 M N -1.435 118.353 119.600 0.314 0.000 2.880 772 M HA 0.459 4.849 4.480 -0.149 0.000 0.269 772 M C -1.935 174.463 176.300 0.164 0.000 1.248 772 M CA -0.791 54.704 55.300 0.326 0.000 0.821 772 M CB 2.176 34.880 32.600 0.173 0.000 1.650 772 M HN -0.291 nan 8.290 nan 0.000 0.479 773 V N 2.341 122.309 119.914 0.091 0.000 2.577 773 V HA 0.587 4.617 4.120 -0.149 0.000 0.303 773 V C -1.362 174.733 176.094 0.001 0.000 1.042 773 V CA -0.656 61.613 62.300 -0.051 0.000 0.872 773 V CB 1.766 33.473 31.823 -0.193 0.000 0.998 773 V HN 0.743 nan 8.190 nan 0.000 0.423 774 L N 6.283 127.503 121.223 -0.004 0.000 2.305 774 L HA 0.625 4.875 4.340 -0.149 0.000 0.284 774 L C -0.501 176.371 176.870 0.004 0.000 1.013 774 L CA -0.069 54.776 54.840 0.008 0.000 0.819 774 L CB 1.131 43.198 42.059 0.014 0.000 1.227 774 L HN 0.442 nan 8.230 nan 0.000 0.417 775 I N 5.727 126.301 120.570 0.006 0.000 2.421 775 I HA 0.150 4.231 4.170 -0.149 0.000 0.291 775 I C 1.444 177.565 176.117 0.007 0.000 1.089 775 I CA 0.479 61.786 61.300 0.011 0.000 1.354 775 I CB 0.416 38.423 38.000 0.012 0.000 1.413 775 I HN 0.894 nan 8.210 nan 0.000 0.513 776 G N 5.504 114.313 108.800 0.015 0.000 2.395 776 G HA2 0.249 4.120 3.960 -0.149 0.000 0.214 776 G HA3 0.249 4.120 3.960 -0.149 0.000 0.214 776 G C 0.644 175.546 174.900 0.004 0.000 1.177 776 G CA 0.689 45.794 45.100 0.009 0.000 0.794 776 G HN 0.774 nan 8.290 nan 0.000 0.532 777 G N -1.004 107.812 108.800 0.028 0.000 2.655 777 G HA2 0.457 4.327 3.960 -0.149 0.000 0.296 777 G HA3 0.457 4.327 3.960 -0.149 0.000 0.296 777 G C -1.616 173.333 174.900 0.081 0.000 1.485 777 G CA -0.818 44.305 45.100 0.040 0.000 0.869 777 G HN 0.135 nan 8.290 nan 0.000 0.540 778 I N 1.613 122.236 120.570 0.089 0.000 2.382 778 I HA 0.408 4.489 4.170 -0.149 0.000 0.286 778 I C -0.279 175.937 176.117 0.165 0.000 1.002 778 I CA -0.453 60.913 61.300 0.112 0.000 1.135 778 I CB 1.805 39.845 38.000 0.066 0.000 1.288 778 I HN 0.244 nan 8.210 nan 0.000 0.448 779 M N 5.691 125.414 119.600 0.205 0.000 2.311 779 M HA 0.332 4.722 4.480 -0.149 0.000 0.325 779 M C -0.284 176.168 176.300 0.254 0.000 1.061 779 M CA -0.342 55.127 55.300 0.282 0.000 0.957 779 M CB 2.207 35.012 32.600 0.342 0.000 1.646 779 M HN 0.417 nan 8.290 nan 0.000 0.434 780 E N 3.165 123.546 120.200 0.302 0.000 2.115 780 E HA 0.215 4.475 4.350 -0.149 0.000 0.282 780 E C -0.963 175.878 176.600 0.401 0.000 0.987 780 E CA -0.403 56.158 56.400 0.268 0.000 0.797 780 E CB 0.725 30.591 29.700 0.278 0.000 1.086 780 E HN 0.654 nan 8.360 nan 0.000 0.397 781 H N 3.404 122.600 119.070 0.210 0.000 2.790 781 H HA -0.010 4.456 4.556 -0.149 0.000 0.358 781 H C 0.935 176.417 175.328 0.256 0.000 1.103 781 H CA -0.611 55.554 56.048 0.196 0.000 1.426 781 H CB 1.106 30.951 29.762 0.138 0.000 1.424 781 H HN 0.556 nan 8.280 nan 0.000 0.599 782 I N 1.265 122.059 120.570 0.373 0.000 2.235 782 I HA -0.120 3.960 4.170 -0.149 0.000 0.241 782 I C 0.612 176.890 176.117 0.268 0.000 1.085 782 I CA 1.077 62.567 61.300 0.316 0.000 1.378 782 I CB -0.021 38.123 38.000 0.239 0.000 1.076 782 I HN 0.607 nan 8.210 nan 0.000 0.415 783 E N 2.049 122.392 120.200 0.239 0.000 2.338 783 E HA 0.069 4.330 4.350 -0.149 0.000 0.272 783 E C 0.140 176.873 176.600 0.222 0.000 1.029 783 E CA -0.360 56.162 56.400 0.204 0.000 0.872 783 E CB 0.286 30.088 29.700 0.170 0.000 1.015 783 E HN 0.133 nan 8.360 nan 0.000 0.417 784 Q N 1.704 121.614 119.800 0.182 0.000 2.722 784 Q HA 0.148 4.398 4.340 -0.149 0.000 0.214 784 Q C -0.275 175.833 176.000 0.180 0.000 1.109 784 Q CA -0.360 55.537 55.803 0.157 0.000 1.066 784 Q CB 0.202 29.016 28.738 0.127 0.000 1.290 784 Q HN 0.472 nan 8.270 nan 0.000 0.620 785 A N -0.750 122.146 122.820 0.128 0.000 2.477 785 A HA 0.477 4.707 4.320 -0.149 0.000 0.246 785 A C 1.070 178.820 177.584 0.277 0.000 1.078 785 A CA 0.654 52.776 52.037 0.142 0.000 0.770 785 A CB -0.559 18.456 19.000 0.025 0.000 1.011 785 A HN 1.384 nan 8.150 nan 0.000 0.494 786 G N 0.490 109.476 108.800 0.309 0.000 2.284 786 G HA2 -0.107 3.764 3.960 -0.149 0.000 0.201 786 G HA3 -0.107 3.764 3.960 -0.149 0.000 0.201 786 G C 0.005 175.005 174.900 0.168 0.000 0.998 786 G CA 0.042 45.336 45.100 0.323 0.000 0.651 786 G HN 1.415 nan 8.290 nan 0.000 0.489 787 V N 3.441 123.463 119.914 0.180 0.000 2.313 787 V HA 0.412 4.443 4.120 -0.149 0.000 0.278 787 V C 0.725 176.916 176.094 0.162 0.000 1.017 787 V CA -1.086 61.310 62.300 0.160 0.000 0.823 787 V CB 1.136 33.051 31.823 0.154 0.000 1.010 787 V HN 0.442 nan 8.190 nan 0.000 0.443 788 H N 3.820 122.930 119.070 0.066 0.000 3.152 788 H HA -0.092 4.385 4.556 -0.132 0.000 0.319 788 H C 1.582 176.915 175.328 0.009 0.000 0.994 788 H CA 1.060 57.135 56.048 0.046 0.000 1.370 788 H CB 1.087 30.859 29.762 0.018 0.000 1.322 788 H HN 0.854 nan 8.280 nan 0.000 0.590 789 S N 3.555 119.085 115.700 -0.284 0.000 2.378 789 S HA -0.232 4.149 4.470 -0.149 0.000 0.229 789 S C 2.324 176.893 174.600 -0.052 0.000 1.052 789 S CA 1.217 59.297 58.200 -0.200 0.000 1.084 789 S CB -1.004 62.131 63.200 -0.107 0.000 0.950 789 S HN 0.773 nan 8.310 nan 0.000 0.440 790 G N 1.170 110.165 108.800 0.325 0.000 2.564 790 G HA2 -0.101 3.770 3.960 -0.149 0.000 0.216 790 G HA3 -0.101 3.770 3.960 -0.149 0.000 0.216 790 G C 0.575 175.509 174.900 0.057 0.000 1.124 790 G CA 0.954 46.160 45.100 0.176 0.000 0.764 790 G HN 0.524 nan 8.290 nan 0.000 0.550 791 D N -0.657 119.792 120.400 0.083 0.000 2.469 791 D HA 0.189 4.739 4.640 -0.149 0.000 0.215 791 D C 0.436 176.734 176.300 -0.004 0.000 1.154 791 D CA -0.018 53.996 54.000 0.024 0.000 0.832 791 D CB 0.760 41.593 40.800 0.056 0.000 1.008 791 D HN 0.041 nan 8.370 nan 0.000 0.506 792 S N 0.574 116.225 115.700 -0.080 0.000 2.554 792 S HA 0.684 5.064 4.470 -0.149 0.000 0.278 792 S C 0.258 174.791 174.600 -0.111 0.000 1.242 792 S CA -0.689 57.448 58.200 -0.104 0.000 1.051 792 S CB 1.858 64.878 63.200 -0.300 0.000 0.986 792 S HN 0.232 nan 8.310 nan 0.000 0.502 793 A N 1.255 124.081 122.820 0.011 0.000 2.304 793 A HA 0.665 4.896 4.320 -0.149 0.000 0.271 793 A C 0.348 177.967 177.584 0.058 0.000 1.091 793 A CA -0.549 51.499 52.037 0.019 0.000 0.812 793 A CB -0.299 18.798 19.000 0.162 0.000 1.056 793 A HN 1.202 nan 8.150 nan 0.000 0.489 794 C N -0.845 118.473 119.300 0.030 0.000 3.241 794 C HA 0.884 5.255 4.460 -0.149 0.000 0.312 794 C C -0.279 174.842 174.990 0.218 0.000 1.350 794 C CA -0.517 58.598 59.018 0.161 0.000 1.415 794 C CB 1.016 28.854 27.740 0.164 0.000 1.770 794 C HN 0.990 nan 8.230 nan 0.000 0.466 795 S N 0.355 116.278 115.700 0.371 0.000 2.526 795 S HA 0.812 5.193 4.470 -0.149 0.000 0.293 795 S C -1.393 173.508 174.600 0.503 0.000 1.092 795 S CA -0.494 57.990 58.200 0.474 0.000 0.980 795 S CB 1.208 64.751 63.200 0.572 0.000 1.048 795 S HN 0.905 nan 8.310 nan 0.000 0.483 796 L N 6.516 128.059 121.223 0.533 0.000 2.415 796 L HA 0.570 4.821 4.340 -0.149 0.000 0.268 796 L C -2.436 174.600 176.870 0.278 0.000 0.984 796 L CA -1.947 53.114 54.840 0.368 0.000 0.853 796 L CB 2.224 44.438 42.059 0.258 0.000 1.215 796 L HN 0.485 nan 8.230 nan 0.000 0.419 797 P HA 0.257 nan 4.420 nan 0.000 0.279 797 P C -0.564 176.983 177.300 0.412 0.000 1.276 797 P CA -0.455 62.758 63.100 0.188 0.000 0.801 797 P CB 0.866 32.579 31.700 0.022 0.000 1.127 798 A N 0.669 123.668 122.820 0.298 0.000 2.613 798 A HA -0.044 4.187 4.320 -0.149 0.000 0.230 798 A C 0.650 178.469 177.584 0.393 0.000 1.051 798 A CA 0.699 52.914 52.037 0.297 0.000 0.754 798 A CB -1.048 18.021 19.000 0.114 0.000 0.979 798 A HN 0.780 nan 8.150 nan 0.000 0.510 799 Y N -0.566 119.776 120.300 0.070 0.000 2.430 799 Y HA 0.307 4.767 4.550 -0.150 0.000 0.248 799 Y C 1.527 177.311 175.900 -0.192 0.000 1.108 799 Y CA 0.578 58.617 58.100 -0.101 0.000 1.264 799 Y CB 0.167 38.262 38.460 -0.607 0.000 1.172 799 Y HN 0.661 nan 8.280 nan 0.000 0.520 800 T N -1.795 112.315 114.554 -0.739 0.000 3.010 800 T HA 0.292 4.552 4.350 -0.149 0.000 0.252 800 T C 0.343 174.860 174.700 -0.305 0.000 0.963 800 T CA -0.201 61.553 62.100 -0.578 0.000 0.952 800 T CB -0.610 67.811 68.868 -0.745 0.000 1.182 800 T HN 0.149 nan 8.240 nan 0.000 0.495 801 L N 3.971 125.046 121.223 -0.246 0.000 2.514 801 L HA 0.295 4.545 4.340 -0.149 0.000 0.280 801 L C 0.943 177.753 176.870 -0.100 0.000 1.223 801 L CA -0.315 54.439 54.840 -0.143 0.000 0.864 801 L CB 0.484 42.483 42.059 -0.100 0.000 1.118 801 L HN 0.487 nan 8.230 nan 0.000 0.494 802 S N 1.454 117.100 115.700 -0.090 0.000 2.601 802 S HA 0.114 4.495 4.470 -0.149 0.000 0.271 802 S C 0.537 175.099 174.600 -0.063 0.000 1.305 802 S CA -0.694 57.463 58.200 -0.072 0.000 1.022 802 S CB 1.738 64.896 63.200 -0.070 0.000 0.940 802 S HN 0.657 nan 8.310 nan 0.000 0.525 803 Q N 1.139 120.908 119.800 -0.052 0.000 2.096 803 Q HA -0.190 4.060 4.340 -0.149 0.000 0.204 803 Q C 2.015 177.980 176.000 -0.058 0.000 0.982 803 Q CA 2.365 58.139 55.803 -0.049 0.000 0.850 803 Q CB -0.428 28.286 28.738 -0.040 0.000 0.901 803 Q HN 0.967 nan 8.270 nan 0.000 0.422 804 E N -0.356 119.810 120.200 -0.057 0.000 2.070 804 E HA -0.225 4.035 4.350 -0.149 0.000 0.197 804 E C 1.933 178.486 176.600 -0.078 0.000 1.004 804 E CA 1.430 57.793 56.400 -0.061 0.000 0.805 804 E CB -0.314 29.353 29.700 -0.056 0.000 0.744 804 E HN 0.524 nan 8.360 nan 0.000 0.451 805 I N 0.808 121.326 120.570 -0.086 0.000 2.252 805 I HA -0.277 3.803 4.170 -0.149 0.000 0.245 805 I C 2.331 178.359 176.117 -0.149 0.000 1.102 805 I CA 1.408 62.641 61.300 -0.112 0.000 1.385 805 I CB -0.328 37.611 38.000 -0.102 0.000 1.064 805 I HN 0.356 nan 8.210 nan 0.000 0.414 806 Q N 0.141 119.867 119.800 -0.123 0.000 2.135 806 Q HA -0.239 4.011 4.340 -0.149 0.000 0.204 806 Q C 1.666 177.587 176.000 -0.132 0.000 0.981 806 Q CA 1.580 57.306 55.803 -0.128 0.000 0.856 806 Q CB -0.181 28.512 28.738 -0.076 0.000 0.902 806 Q HN 0.553 nan 8.270 nan 0.000 0.425 807 D N 0.228 120.567 120.400 -0.101 0.000 2.144 807 D HA -0.117 4.433 4.640 -0.149 0.000 0.199 807 D C 2.034 178.276 176.300 -0.098 0.000 0.984 807 D CA 1.146 55.097 54.000 -0.082 0.000 0.834 807 D CB 0.068 40.833 40.800 -0.058 0.000 0.955 807 D HN 0.128 nan 8.370 nan 0.000 0.465 808 V N 1.021 120.856 119.914 -0.132 0.000 2.379 808 V HA -0.201 3.830 4.120 -0.149 0.000 0.245 808 V C 2.596 178.565 176.094 -0.210 0.000 1.044 808 V CA 1.096 63.312 62.300 -0.140 0.000 1.036 808 V CB -0.477 31.256 31.823 -0.150 0.000 0.664 808 V HN 0.141 nan 8.190 nan 0.000 0.453 809 M N -0.402 118.975 119.600 -0.371 0.000 2.086 809 M HA -0.172 4.219 4.480 -0.149 0.000 0.261 809 M C 2.570 178.708 176.300 -0.270 0.000 1.067 809 M CA 1.864 56.743 55.300 -0.702 0.000 1.116 809 M CB -0.498 31.536 32.600 -0.944 0.000 1.348 809 M HN 0.195 nan 8.290 nan 0.000 0.407 810 R N -0.177 120.227 120.500 -0.159 0.000 2.091 810 R HA -0.198 4.052 4.340 -0.149 0.000 0.238 810 R C 2.263 178.561 176.300 -0.003 0.000 1.136 810 R CA 1.583 57.656 56.100 -0.045 0.000 0.959 810 R CB -0.362 29.913 30.300 -0.040 0.000 0.856 810 R HN 0.512 nan 8.270 nan 0.000 0.437 811 Q N 0.547 120.336 119.800 -0.020 0.000 2.046 811 Q HA -0.204 4.046 4.340 -0.149 0.000 0.200 811 Q C 2.065 178.103 176.000 0.062 0.000 0.975 811 Q CA 1.432 57.248 55.803 0.021 0.000 0.836 811 Q CB 0.130 28.872 28.738 0.007 0.000 0.896 811 Q HN 0.391 nan 8.270 nan 0.000 0.428 812 Q N -0.485 119.355 119.800 0.066 0.000 2.045 812 Q HA -0.199 4.051 4.340 -0.149 0.000 0.206 812 Q C 2.181 178.300 176.000 0.198 0.000 0.991 812 Q CA 2.051 57.947 55.803 0.155 0.000 0.851 812 Q CB -0.127 28.754 28.738 0.238 0.000 0.911 812 Q HN 0.251 nan 8.270 nan 0.000 0.418 813 V N 0.846 120.906 119.914 0.244 0.000 2.231 813 V HA -0.400 3.630 4.120 -0.149 0.000 0.250 813 V C 2.338 178.463 176.094 0.052 0.000 1.058 813 V CA 2.457 64.865 62.300 0.180 0.000 1.022 813 V CB -0.777 31.146 31.823 0.167 0.000 0.640 813 V HN 0.494 nan 8.190 nan 0.000 0.445 814 Q N -0.251 119.567 119.800 0.030 0.000 2.029 814 Q HA -0.336 3.915 4.340 -0.149 0.000 0.209 814 Q C 2.313 178.328 176.000 0.024 0.000 0.999 814 Q CA 2.555 58.336 55.803 -0.037 0.000 0.857 814 Q CB -0.170 28.626 28.738 0.097 0.000 0.926 814 Q HN 0.613 nan 8.270 nan 0.000 0.415 815 K N -0.091 120.401 120.400 0.153 0.000 2.127 815 K HA -0.200 4.030 4.320 -0.149 0.000 0.208 815 K C 2.045 178.741 176.600 0.159 0.000 1.047 815 K CA 1.735 58.142 56.287 0.201 0.000 0.927 815 K CB -0.200 32.385 32.500 0.141 0.000 0.716 815 K HN 0.244 nan 8.250 nan 0.000 0.450 816 L N -0.149 121.129 121.223 0.092 0.000 2.072 816 L HA -0.100 4.151 4.340 -0.149 0.000 0.205 816 L C 2.491 179.371 176.870 0.016 0.000 1.079 816 L CA 1.081 55.967 54.840 0.077 0.000 0.752 816 L CB -0.529 41.581 42.059 0.084 0.000 0.906 816 L HN 0.177 nan 8.230 nan 0.000 0.436 817 A N -0.247 122.505 122.820 -0.112 0.000 1.986 817 A HA -0.209 4.021 4.320 -0.149 0.000 0.220 817 A C 1.973 179.388 177.584 -0.282 0.000 1.171 817 A CA 1.783 53.659 52.037 -0.268 0.000 0.640 817 A CB -0.628 18.067 19.000 -0.509 0.000 0.811 817 A HN 0.334 nan 8.150 nan 0.000 0.451 818 F N -0.980 119.000 119.950 0.049 0.000 2.220 818 F HA 0.113 4.551 4.527 -0.148 0.000 0.290 818 F C 2.261 178.085 175.800 0.040 0.000 1.080 818 F CA 1.041 59.065 58.000 0.040 0.000 1.318 818 F CB -0.769 38.252 39.000 0.034 0.000 1.063 818 F HN 0.253 nan 8.300 nan 0.000 0.498 819 E N 1.083 121.431 120.200 0.246 0.000 2.058 819 E HA -0.179 4.081 4.350 -0.149 0.000 0.194 819 E C 1.960 178.633 176.600 0.122 0.000 0.997 819 E CA 1.541 58.035 56.400 0.157 0.000 0.801 819 E CB -0.588 29.188 29.700 0.127 0.000 0.746 819 E HN 0.406 nan 8.360 nan 0.000 0.450 820 L N 0.018 121.303 121.223 0.105 0.000 2.376 820 L HA -0.039 4.211 4.340 -0.149 0.000 0.219 820 L C 0.516 177.427 176.870 0.068 0.000 1.133 820 L CA 0.627 55.515 54.840 0.080 0.000 0.816 820 L CB -0.235 41.863 42.059 0.064 0.000 0.933 820 L HN 0.194 nan 8.230 nan 0.000 0.449 821 Q N -1.131 118.723 119.800 0.089 0.000 2.504 821 Q HA -0.151 4.099 4.340 -0.149 0.000 0.274 821 Q C -0.165 175.868 176.000 0.056 0.000 1.103 821 Q CA 0.269 56.126 55.803 0.091 0.000 0.962 821 Q CB -2.401 26.381 28.738 0.074 0.000 1.322 821 Q HN 0.264 nan 8.270 nan 0.000 0.500 822 V N 1.938 121.867 119.914 0.025 0.000 2.599 822 V HA 0.032 4.063 4.120 -0.149 0.000 0.300 822 V C 0.989 177.088 176.094 0.008 0.000 1.034 822 V CA 0.841 63.142 62.300 0.001 0.000 1.115 822 V CB 0.647 32.448 31.823 -0.036 0.000 0.934 822 V HN 0.147 nan 8.190 nan 0.000 0.485 823 R N 4.102 124.613 120.500 0.019 0.000 2.625 823 R HA 0.566 4.816 4.340 -0.149 0.000 0.286 823 R C 0.373 176.690 176.300 0.029 0.000 1.406 823 R CA 0.364 56.479 56.100 0.025 0.000 1.052 823 R CB 1.304 31.620 30.300 0.028 0.000 1.203 823 R HN 1.044 nan 8.270 nan 0.000 0.502 824 G N 2.065 110.889 108.800 0.039 0.000 2.713 824 G HA2 -0.180 3.690 3.960 -0.149 0.000 0.215 824 G HA3 -0.180 3.690 3.960 -0.149 0.000 0.215 824 G C -1.025 173.929 174.900 0.090 0.000 1.265 824 G CA -0.807 44.337 45.100 0.073 0.000 1.204 824 G HN 0.308 nan 8.290 nan 0.000 0.545 825 L N 1.802 123.110 121.223 0.141 0.000 2.360 825 L HA 0.856 5.107 4.340 -0.149 0.000 0.271 825 L C 0.677 177.589 176.870 0.071 0.000 1.057 825 L CA -0.569 54.335 54.840 0.108 0.000 0.803 825 L CB 1.565 43.698 42.059 0.124 0.000 1.207 825 L HN 0.928 nan 8.230 nan 0.000 0.445 826 M N 1.805 121.429 119.600 0.041 0.000 2.578 826 M HA 0.501 4.892 4.480 -0.149 0.000 0.276 826 M C -1.884 174.429 176.300 0.021 0.000 1.245 826 M CA -0.735 54.579 55.300 0.023 0.000 0.871 826 M CB 2.463 35.063 32.600 -0.000 0.000 1.722 826 M HN 0.485 nan 8.290 nan 0.000 0.473 827 N N 1.468 120.174 118.700 0.011 0.000 2.235 827 N HA 0.737 5.387 4.740 -0.149 0.000 0.293 827 N C -2.333 173.160 175.510 -0.030 0.000 1.083 827 N CA -0.319 52.738 53.050 0.012 0.000 0.801 827 N CB 2.989 41.492 38.487 0.027 0.000 1.559 827 N HN 0.699 nan 8.380 nan 0.000 0.472 828 V N 1.904 121.794 119.914 -0.040 0.000 2.709 828 V HA 0.459 4.489 4.120 -0.149 0.000 0.308 828 V C -0.738 175.223 176.094 -0.222 0.000 1.062 828 V CA -0.778 61.414 62.300 -0.179 0.000 0.901 828 V CB 1.841 33.522 31.823 -0.238 0.000 1.003 828 V HN 0.616 nan 8.190 nan 0.000 0.425 829 Q N 3.410 123.006 119.800 -0.341 0.000 2.325 829 Q HA 0.695 4.945 4.340 -0.149 0.000 0.270 829 Q C -1.648 174.131 176.000 -0.368 0.000 1.020 829 Q CA -0.283 55.381 55.803 -0.232 0.000 0.785 829 Q CB 2.489 31.169 28.738 -0.096 0.000 1.259 829 Q HN 0.654 nan 8.270 nan 0.000 0.452 830 F N 0.604 120.555 119.950 0.001 0.000 2.575 830 F HA 0.817 5.255 4.527 -0.147 0.000 0.330 830 F C 0.057 175.853 175.800 -0.006 0.000 1.056 830 F CA -1.137 56.875 58.000 0.020 0.000 0.964 830 F CB 1.575 40.585 39.000 0.017 0.000 1.258 830 F HN 0.498 nan 8.300 nan 0.000 0.484 831 A N 0.825 123.812 122.820 0.278 0.000 2.356 831 A HA 0.763 4.993 4.320 -0.149 0.000 0.310 831 A C -1.678 176.025 177.584 0.199 0.000 1.075 831 A CA -0.653 51.472 52.037 0.148 0.000 0.746 831 A CB 1.328 20.357 19.000 0.047 0.000 1.221 831 A HN 0.513 nan 8.150 nan 0.000 0.443 832 V N 3.153 123.128 119.914 0.101 0.000 2.304 832 V HA 0.391 4.421 4.120 -0.149 0.000 0.278 832 V C 0.026 176.162 176.094 0.070 0.000 1.018 832 V CA -0.371 61.989 62.300 0.100 0.000 0.814 832 V CB 1.032 32.868 31.823 0.022 0.000 1.021 832 V HN 0.851 nan 8.190 nan 0.000 0.440 833 K N 3.490 123.981 120.400 0.152 0.000 2.292 833 K HA 0.446 4.676 4.320 -0.149 0.000 0.257 833 K C 0.294 176.976 176.600 0.136 0.000 0.940 833 K CA -0.622 55.720 56.287 0.093 0.000 0.811 833 K CB 0.830 33.331 32.500 0.001 0.000 1.120 833 K HN 0.767 nan 8.250 nan 0.000 0.428 834 N N 3.668 122.402 118.700 0.057 0.000 2.705 834 N HA -0.299 4.352 4.740 -0.149 0.000 0.255 834 N C -0.399 175.128 175.510 0.029 0.000 1.008 834 N CA 0.625 53.698 53.050 0.039 0.000 0.742 834 N CB -0.919 37.600 38.487 0.053 0.000 0.906 834 N HN 0.869 nan 8.380 nan 0.000 0.541 835 N N -1.060 117.646 118.700 0.009 0.000 2.713 835 N HA -0.221 4.429 4.740 -0.149 0.000 0.251 835 N C -1.166 174.332 175.510 -0.020 0.000 1.117 835 N CA 1.527 54.568 53.050 -0.015 0.000 0.770 835 N CB -0.263 38.208 38.487 -0.028 0.000 1.137 835 N HN 0.683 nan 8.380 nan 0.000 0.566 836 E N -0.001 120.210 120.200 0.018 0.000 2.195 836 E HA 0.401 4.661 4.350 -0.149 0.000 0.271 836 E C -0.463 176.125 176.600 -0.021 0.000 0.923 836 E CA -0.782 55.585 56.400 -0.055 0.000 0.790 836 E CB 2.310 31.949 29.700 -0.102 0.000 1.155 836 E HN -0.037 nan 8.360 nan 0.000 0.402 837 V N 3.944 123.786 119.914 -0.121 0.000 2.333 837 V HA 0.232 4.262 4.120 -0.149 0.000 0.274 837 V C -0.810 175.278 176.094 -0.011 0.000 1.028 837 V CA -0.501 61.792 62.300 -0.010 0.000 0.851 837 V CB -0.302 31.467 31.823 -0.090 0.000 1.000 837 V HN 0.535 nan 8.190 nan 0.000 0.456 838 Y N 4.138 124.519 120.300 0.135 0.000 2.387 838 Y HA 0.572 5.033 4.550 -0.148 0.000 0.330 838 Y C 0.007 176.021 175.900 0.189 0.000 1.133 838 Y CA -1.006 57.170 58.100 0.126 0.000 1.152 838 Y CB 1.514 40.014 38.460 0.067 0.000 1.215 838 Y HN 0.383 nan 8.280 nan 0.000 0.466 839 L N 3.375 124.756 121.223 0.263 0.000 2.264 839 L HA 0.333 4.583 4.340 -0.149 0.000 0.289 839 L C 0.187 177.128 176.870 0.118 0.000 1.044 839 L CA 0.378 55.291 54.840 0.120 0.000 0.807 839 L CB 0.566 42.683 42.059 0.097 0.000 1.192 839 L HN 0.794 nan 8.230 nan 0.000 0.425 840 I N 2.276 122.856 120.570 0.017 0.000 2.685 840 I HA 0.105 4.185 4.170 -0.149 0.000 0.251 840 I C 0.163 176.299 176.117 0.031 0.000 1.102 840 I CA 0.311 61.631 61.300 0.033 0.000 1.442 840 I CB 0.531 38.523 38.000 -0.014 0.000 1.194 840 I HN 0.749 nan 8.210 nan 0.000 0.448 841 E N -0.471 119.693 120.200 -0.060 0.000 2.389 841 E HA 0.361 4.621 4.350 -0.149 0.000 0.281 841 E C -1.738 174.740 176.600 -0.205 0.000 1.072 841 E CA -0.702 55.605 56.400 -0.155 0.000 0.845 841 E CB 1.838 31.441 29.700 -0.161 0.000 1.239 841 E HN -0.194 nan 8.360 nan 0.000 0.434 842 V N 2.354 122.083 119.914 -0.308 0.000 2.540 842 V HA 0.503 4.534 4.120 -0.149 0.000 0.302 842 V C -0.915 175.061 176.094 -0.197 0.000 1.035 842 V CA -0.955 61.221 62.300 -0.205 0.000 0.873 842 V CB 1.708 33.464 31.823 -0.110 0.000 0.992 842 V HN 0.648 nan 8.190 nan 0.000 0.428 843 N N 5.838 124.473 118.700 -0.108 0.000 2.569 843 N HA 0.344 4.994 4.740 -0.149 0.000 0.254 843 N C -2.572 172.922 175.510 -0.026 0.000 1.004 843 N CA -1.422 51.588 53.050 -0.067 0.000 0.904 843 N CB 2.323 40.794 38.487 -0.028 0.000 1.165 843 N HN 0.352 nan 8.380 nan 0.000 0.513 844 P HA 0.015 nan 4.420 nan 0.000 0.271 844 P C -0.347 176.974 177.300 0.035 0.000 1.535 844 P CA 0.468 63.568 63.100 0.000 0.000 0.820 844 P CB 0.028 31.724 31.700 -0.008 0.000 1.606 845 R N -1.756 118.778 120.500 0.056 0.000 3.015 845 R HA 0.783 5.033 4.340 -0.149 0.000 0.258 845 R C -0.822 175.549 176.300 0.119 0.000 1.172 845 R CA -1.189 54.978 56.100 0.112 0.000 1.003 845 R CB 0.114 30.482 30.300 0.114 0.000 1.326 845 R HN -0.203 nan 8.270 nan 0.000 0.449 846 A N 0.499 123.407 122.820 0.146 0.000 2.362 846 A HA 0.668 4.898 4.320 -0.149 0.000 0.276 846 A C -0.119 177.535 177.584 0.118 0.000 1.153 846 A CA -0.118 51.929 52.037 0.017 0.000 0.813 846 A CB 0.116 18.946 19.000 -0.284 0.000 1.081 846 A HN 0.731 nan 8.150 nan 0.000 0.507 847 A N 2.195 125.036 122.820 0.035 0.000 2.282 847 A HA 0.573 4.803 4.320 -0.149 0.000 0.319 847 A C 1.266 178.725 177.584 -0.208 0.000 1.121 847 A CA -0.357 51.706 52.037 0.043 0.000 0.836 847 A CB 0.371 19.397 19.000 0.044 0.000 1.146 847 A HN 1.072 nan 8.150 nan 0.000 0.494 848 R N -0.181 120.142 120.500 -0.294 0.000 2.341 848 R HA -0.098 4.152 4.340 -0.149 0.000 0.213 848 R C 0.696 176.834 176.300 -0.270 0.000 1.082 848 R CA 1.924 57.711 56.100 -0.521 0.000 1.017 848 R CB -0.896 29.174 30.300 -0.384 0.000 0.860 848 R HN 0.651 nan 8.270 nan 0.000 0.473 849 T N -1.399 113.082 114.554 -0.121 0.000 3.043 849 T HA 0.073 4.334 4.350 -0.149 0.000 0.263 849 T C 1.958 176.667 174.700 0.015 0.000 1.094 849 T CA 0.497 62.596 62.100 -0.003 0.000 1.127 849 T CB -0.126 68.793 68.868 0.086 0.000 0.905 849 T HN 0.030 nan 8.240 nan 0.000 0.490 850 V N 3.002 122.870 119.914 -0.076 0.000 2.277 850 V HA -0.174 3.857 4.120 -0.149 0.000 0.253 850 V C -0.207 175.816 176.094 -0.118 0.000 1.067 850 V CA 2.133 64.386 62.300 -0.078 0.000 1.047 850 V CB -1.610 30.148 31.823 -0.108 0.000 0.649 850 V HN 0.394 nan 8.190 nan 0.000 0.447 851 P HA -0.166 nan 4.420 nan 0.000 0.217 851 P C 1.726 178.868 177.300 -0.263 0.000 1.150 851 P CA 1.504 64.260 63.100 -0.575 0.000 0.832 851 P CB -0.159 30.878 31.700 -1.106 0.000 0.787 852 F N 0.561 120.365 119.950 -0.242 0.000 2.075 852 F HA -0.211 4.228 4.527 -0.146 0.000 0.297 852 F C 1.973 177.746 175.800 -0.045 0.000 1.113 852 F CA 1.403 59.328 58.000 -0.125 0.000 1.218 852 F CB -0.780 38.164 39.000 -0.093 0.000 0.984 852 F HN -0.322 nan 8.300 nan 0.000 0.472 853 V N 0.132 119.907 119.914 -0.232 0.000 2.255 853 V HA -0.337 3.693 4.120 -0.149 0.000 0.247 853 V C 2.478 178.447 176.094 -0.208 0.000 1.051 853 V CA 2.199 64.331 62.300 -0.281 0.000 1.018 853 V CB -1.146 30.645 31.823 -0.054 0.000 0.641 853 V HN 0.419 nan 8.190 nan 0.000 0.445 854 S N -0.629 115.015 115.700 -0.093 0.000 2.374 854 S HA -0.287 4.093 4.470 -0.149 0.000 0.227 854 S C 2.045 176.661 174.600 0.026 0.000 1.037 854 S CA 1.955 60.158 58.200 0.005 0.000 1.024 854 S CB -0.342 62.931 63.200 0.122 0.000 0.861 854 S HN 0.435 nan 8.310 nan 0.000 0.456 855 K N 1.341 121.727 120.400 -0.023 0.000 2.155 855 K HA 0.242 4.473 4.320 -0.149 0.000 0.203 855 K C 2.029 178.678 176.600 0.081 0.000 1.052 855 K CA 0.946 57.278 56.287 0.076 0.000 0.948 855 K CB -0.528 31.969 32.500 -0.005 0.000 0.728 855 K HN 0.292 nan 8.250 nan 0.000 0.448 856 A N -0.189 122.532 122.820 -0.165 0.000 1.872 856 A HA -0.118 4.112 4.320 -0.149 0.000 0.214 856 A C 2.130 179.681 177.584 -0.054 0.000 1.187 856 A CA 2.114 54.087 52.037 -0.108 0.000 0.614 856 A CB -0.965 17.799 19.000 -0.393 0.000 0.826 856 A HN 0.460 nan 8.150 nan 0.000 0.442 857 T N -4.692 109.755 114.554 -0.177 0.000 3.054 857 T HA 0.383 4.644 4.350 -0.149 0.000 0.259 857 T C 1.486 175.968 174.700 -0.363 0.000 1.092 857 T CA 1.205 63.172 62.100 -0.222 0.000 1.121 857 T CB 0.115 68.889 68.868 -0.157 0.000 0.912 857 T HN 1.702 nan 8.240 nan 0.000 0.489 858 G N 0.573 109.091 108.800 -0.471 0.000 2.175 858 G HA2 -0.191 3.679 3.960 -0.149 0.000 0.244 858 G HA3 -0.191 3.679 3.960 -0.149 0.000 0.244 858 G C -0.022 174.829 174.900 -0.081 0.000 0.982 858 G CA -0.080 44.686 45.100 -0.557 0.000 0.641 858 G HN 0.777 nan 8.290 nan 0.000 0.527 859 V N 1.621 121.507 119.914 -0.047 0.000 2.384 859 V HA 0.498 4.529 4.120 -0.149 0.000 0.287 859 V C -1.961 174.172 176.094 0.065 0.000 1.020 859 V CA -1.789 60.516 62.300 0.008 0.000 0.850 859 V CB 1.977 33.790 31.823 -0.016 0.000 0.987 859 V HN 0.097 nan 8.190 nan 0.000 0.436 860 P HA 0.222 nan 4.420 nan 0.000 0.244 860 P C 1.070 178.455 177.300 0.141 0.000 1.769 860 P CA -0.034 63.158 63.100 0.153 0.000 1.102 860 P CB 0.317 32.043 31.700 0.044 0.000 1.937 861 L N 1.366 122.669 121.223 0.133 0.000 2.081 861 L HA -0.281 3.970 4.340 -0.149 0.000 0.212 861 L C 2.483 179.431 176.870 0.130 0.000 1.080 861 L CA 1.970 56.869 54.840 0.099 0.000 0.754 861 L CB -1.154 40.941 42.059 0.061 0.000 0.893 861 L HN 0.194 nan 8.230 nan 0.000 0.433 862 A N 0.667 123.595 122.820 0.180 0.000 1.883 862 A HA -0.239 3.991 4.320 -0.149 0.000 0.217 862 A C 2.352 180.106 177.584 0.283 0.000 1.186 862 A CA 2.057 54.214 52.037 0.199 0.000 0.624 862 A CB -0.385 18.745 19.000 0.217 0.000 0.822 862 A HN 0.433 nan 8.150 nan 0.000 0.444 863 K N -0.465 120.052 120.400 0.194 0.000 2.057 863 K HA -0.016 4.214 4.320 -0.149 0.000 0.206 863 K C 1.884 178.543 176.600 0.097 0.000 1.050 863 K CA 1.278 57.631 56.287 0.110 0.000 0.935 863 K CB -0.538 31.969 32.500 0.011 0.000 0.715 863 K HN 0.290 nan 8.250 nan 0.000 0.439 864 V N 2.111 122.081 119.914 0.093 0.000 2.255 864 V HA -0.291 3.740 4.120 -0.149 0.000 0.247 864 V C 2.541 178.688 176.094 0.088 0.000 1.051 864 V CA 2.211 64.556 62.300 0.075 0.000 1.018 864 V CB -0.850 31.013 31.823 0.067 0.000 0.641 864 V HN 0.401 nan 8.190 nan 0.000 0.445 865 A N -0.242 122.655 122.820 0.129 0.000 1.978 865 A HA -0.116 4.114 4.320 -0.149 0.000 0.220 865 A C 2.397 180.054 177.584 0.120 0.000 1.170 865 A CA 2.132 54.258 52.037 0.148 0.000 0.636 865 A CB -0.736 18.403 19.000 0.232 0.000 0.810 865 A HN 0.601 nan 8.150 nan 0.000 0.448 866 A N 0.096 122.997 122.820 0.135 0.000 1.877 866 A HA -0.169 4.062 4.320 -0.149 0.000 0.216 866 A C 2.228 179.798 177.584 -0.025 0.000 1.186 866 A CA 1.506 53.551 52.037 0.014 0.000 0.620 866 A CB -0.480 18.547 19.000 0.045 0.000 0.822 866 A HN 0.564 nan 8.150 nan 0.000 0.443 867 R N -0.648 119.864 120.500 0.020 0.000 2.120 867 R HA -0.070 4.181 4.340 -0.149 0.000 0.234 867 R C 1.967 178.280 176.300 0.022 0.000 1.123 867 R CA 1.337 57.452 56.100 0.025 0.000 0.975 867 R CB -0.582 29.746 30.300 0.047 0.000 0.866 867 R HN 0.395 nan 8.270 nan 0.000 0.446 868 V N 1.571 121.502 119.914 0.027 0.000 2.307 868 V HA -0.246 3.784 4.120 -0.149 0.000 0.245 868 V C 2.295 178.392 176.094 0.006 0.000 1.045 868 V CA 1.812 64.129 62.300 0.027 0.000 1.024 868 V CB -0.375 31.471 31.823 0.040 0.000 0.651 868 V HN 0.323 nan 8.190 nan 0.000 0.449 869 M N 0.365 119.951 119.600 -0.022 0.000 2.279 869 M HA -0.086 4.304 4.480 -0.149 0.000 0.264 869 M C 1.839 178.093 176.300 -0.076 0.000 1.062 869 M CA 1.922 57.188 55.300 -0.057 0.000 1.099 869 M CB -0.503 32.031 32.600 -0.111 0.000 1.394 869 M HN 0.333 nan 8.290 nan 0.000 0.426 870 A N 0.045 122.811 122.820 -0.089 0.000 2.370 870 A HA 0.512 4.742 4.320 -0.149 0.000 0.238 870 A C 1.533 179.127 177.584 0.016 0.000 1.289 870 A CA 0.496 52.468 52.037 -0.108 0.000 0.885 870 A CB -0.686 18.129 19.000 -0.309 0.000 0.961 870 A HN 0.670 nan 8.150 nan 0.000 0.499 871 G N -0.379 108.435 108.800 0.024 0.000 2.176 871 G HA2 -0.241 3.630 3.960 -0.149 0.000 0.232 871 G HA3 -0.241 3.630 3.960 -0.149 0.000 0.232 871 G C 0.318 175.250 174.900 0.053 0.000 0.986 871 G CA 0.315 45.443 45.100 0.047 0.000 0.643 871 G HN 0.651 nan 8.290 nan 0.000 0.522 872 K N 2.019 122.452 120.400 0.055 0.000 2.290 872 K HA 0.522 4.753 4.320 -0.149 0.000 0.250 872 K C 1.230 177.857 176.600 0.045 0.000 1.092 872 K CA 0.299 56.618 56.287 0.054 0.000 1.006 872 K CB 0.043 32.582 32.500 0.065 0.000 1.549 872 K HN 0.585 nan 8.250 nan 0.000 0.436 873 S N 2.755 118.481 115.700 0.043 0.000 2.536 873 S HA -0.127 4.254 4.470 -0.149 0.000 0.290 873 S C 1.371 175.996 174.600 0.041 0.000 1.302 873 S CA -0.144 58.082 58.200 0.044 0.000 1.037 873 S CB 0.380 63.606 63.200 0.044 0.000 0.804 873 S HN 0.644 nan 8.310 nan 0.000 0.506 874 L N 2.321 123.570 121.223 0.043 0.000 2.079 874 L HA -0.131 4.120 4.340 -0.149 0.000 0.210 874 L C 3.002 179.892 176.870 0.034 0.000 1.081 874 L CA 1.782 56.645 54.840 0.039 0.000 0.752 874 L CB -1.170 40.913 42.059 0.041 0.000 0.896 874 L HN 0.967 nan 8.230 nan 0.000 0.433 875 A N -0.107 122.735 122.820 0.036 0.000 1.841 875 A HA -0.278 3.953 4.320 -0.149 0.000 0.216 875 A C 2.179 179.779 177.584 0.026 0.000 1.199 875 A CA 1.959 54.014 52.037 0.030 0.000 0.621 875 A CB -0.685 18.334 19.000 0.032 0.000 0.835 875 A HN 0.415 nan 8.150 nan 0.000 0.445 876 E N -0.381 119.836 120.200 0.028 0.000 2.114 876 E HA -0.282 3.979 4.350 -0.149 0.000 0.199 876 E C 2.289 178.905 176.600 0.025 0.000 1.008 876 E CA 1.829 58.245 56.400 0.026 0.000 0.810 876 E CB -0.193 29.525 29.700 0.031 0.000 0.739 876 E HN 0.809 nan 8.360 nan 0.000 0.456 877 Q N -1.421 118.396 119.800 0.028 0.000 2.245 877 Q HA 0.031 4.281 4.340 -0.149 0.000 0.201 877 Q C 1.305 177.317 176.000 0.020 0.000 0.955 877 Q CA 0.739 56.558 55.803 0.026 0.000 0.870 877 Q CB 0.502 29.258 28.738 0.031 0.000 0.945 877 Q HN 0.375 nan 8.270 nan 0.000 0.461 878 G N 0.453 109.264 108.800 0.019 0.000 2.134 878 G HA2 -0.193 3.677 3.960 -0.149 0.000 0.209 878 G HA3 -0.193 3.677 3.960 -0.149 0.000 0.209 878 G C -0.203 174.705 174.900 0.013 0.000 0.993 878 G CA -0.076 45.033 45.100 0.015 0.000 0.669 878 G HN 0.177 nan 8.290 nan 0.000 0.519 879 V N 1.346 121.270 119.914 0.017 0.000 2.380 879 V HA 0.690 4.721 4.120 -0.149 0.000 0.286 879 V C 0.802 176.907 176.094 0.017 0.000 1.015 879 V CA 0.450 62.758 62.300 0.014 0.000 0.834 879 V CB 1.124 32.957 31.823 0.017 0.000 1.009 879 V HN 0.687 nan 8.190 nan 0.000 0.428 880 T N 0.491 115.052 114.554 0.013 0.000 3.029 880 T HA 0.206 4.467 4.350 -0.149 0.000 0.256 880 T C 0.354 175.061 174.700 0.011 0.000 0.914 880 T CA -0.295 61.815 62.100 0.017 0.000 0.880 880 T CB 0.274 69.153 68.868 0.018 0.000 1.246 880 T HN 0.601 nan 8.240 nan 0.000 0.523 881 K N 2.138 122.539 120.400 0.002 0.000 2.292 881 K HA 0.559 4.789 4.320 -0.149 0.000 0.257 881 K C -0.480 176.111 176.600 -0.014 0.000 0.940 881 K CA -0.691 55.593 56.287 -0.004 0.000 0.811 881 K CB 2.250 34.746 32.500 -0.007 0.000 1.120 881 K HN 0.191 nan 8.250 nan 0.000 0.428 882 E N 2.822 123.014 120.200 -0.014 0.000 2.652 882 E HA -0.064 4.197 4.350 -0.149 0.000 0.255 882 E C -0.951 175.624 176.600 -0.041 0.000 0.952 882 E CA -0.260 56.126 56.400 -0.023 0.000 0.947 882 E CB 0.631 30.320 29.700 -0.018 0.000 0.912 882 E HN 0.417 nan 8.360 nan 0.000 0.489 883 V N 7.047 126.928 119.914 -0.055 0.000 2.407 883 V HA 0.224 4.255 4.120 -0.149 0.000 0.278 883 V C 0.270 176.300 176.094 -0.107 0.000 1.037 883 V CA -0.470 61.780 62.300 -0.082 0.000 0.900 883 V CB 1.176 32.940 31.823 -0.099 0.000 0.983 883 V HN 0.615 nan 8.190 nan 0.000 0.459 884 I N 7.710 128.207 120.570 -0.122 0.000 2.355 884 I HA 0.386 4.466 4.170 -0.149 0.000 0.288 884 I C -2.117 173.863 176.117 -0.228 0.000 0.999 884 I CA -1.817 59.391 61.300 -0.152 0.000 1.163 884 I CB 1.993 39.921 38.000 -0.120 0.000 1.316 884 I HN 0.423 nan 8.210 nan 0.000 0.454 885 P HA 0.263 nan 4.420 nan 0.000 0.272 885 P C -2.264 174.717 177.300 -0.533 0.000 1.240 885 P CA -1.085 61.688 63.100 -0.544 0.000 0.791 885 P CB 0.039 31.232 31.700 -0.845 0.000 0.978 886 P HA 0.164 nan 4.420 nan 0.000 0.267 886 P C -0.688 176.435 177.300 -0.294 0.000 1.289 886 P CA 0.351 63.230 63.100 -0.369 0.000 0.866 886 P CB 0.007 31.591 31.700 -0.193 0.000 1.309 887 Y N -3.376 116.870 120.300 -0.091 0.000 2.638 887 Y HA 0.648 5.108 4.550 -0.150 0.000 0.339 887 Y C -0.716 175.137 175.900 -0.078 0.000 1.084 887 Y CA -2.075 56.000 58.100 -0.043 0.000 1.068 887 Y CB 0.402 38.874 38.460 0.019 0.000 1.294 887 Y HN -0.354 nan 8.280 nan 0.000 0.480 888 Y N 0.827 121.317 120.300 0.317 0.000 2.308 888 Y HA 0.550 5.011 4.550 -0.150 0.000 0.329 888 Y C -0.146 175.931 175.900 0.296 0.000 1.111 888 Y CA -0.240 58.018 58.100 0.263 0.000 1.179 888 Y CB 1.950 40.543 38.460 0.222 0.000 1.201 888 Y HN 0.620 nan 8.280 nan 0.000 0.483 889 S N 2.804 118.782 115.700 0.463 0.000 2.498 889 S HA 0.633 5.013 4.470 -0.149 0.000 0.317 889 S C -1.044 173.847 174.600 0.485 0.000 1.090 889 S CA -0.733 57.700 58.200 0.388 0.000 1.089 889 S CB 1.017 64.363 63.200 0.244 0.000 0.997 889 S HN 0.329 nan 8.310 nan 0.000 0.470 890 V N 4.040 124.141 119.914 0.311 0.000 2.487 890 V HA 0.483 4.513 4.120 -0.149 0.000 0.298 890 V C -0.053 176.033 176.094 -0.013 0.000 1.028 890 V CA -0.840 61.539 62.300 0.131 0.000 0.860 890 V CB 1.805 33.573 31.823 -0.091 0.000 0.991 890 V HN 0.747 nan 8.190 nan 0.000 0.427 891 K N 3.415 123.653 120.400 -0.270 0.000 2.213 891 K HA 0.606 4.836 4.320 -0.149 0.000 0.270 891 K C -0.839 175.574 176.600 -0.312 0.000 1.002 891 K CA -0.396 55.606 56.287 -0.475 0.000 0.868 891 K CB 1.591 33.477 32.500 -1.023 0.000 1.093 891 K HN 0.728 nan 8.250 nan 0.000 0.454 892 E N 3.029 123.066 120.200 -0.272 0.000 2.256 892 E HA 0.309 4.569 4.350 -0.149 0.000 0.267 892 E C -1.290 175.203 176.600 -0.178 0.000 0.892 892 E CA -0.884 55.373 56.400 -0.238 0.000 0.775 892 E CB 1.761 31.268 29.700 -0.322 0.000 1.207 892 E HN 0.398 nan 8.360 nan 0.000 0.420 893 V N 1.250 121.085 119.914 -0.131 0.000 2.975 893 V HA 0.844 4.875 4.120 -0.149 0.000 0.318 893 V C -0.266 175.779 176.094 -0.083 0.000 1.077 893 V CA -0.615 61.622 62.300 -0.104 0.000 1.000 893 V CB 1.539 33.310 31.823 -0.087 0.000 1.066 893 V HN 0.587 nan 8.190 nan 0.000 0.452 894 V N 1.408 121.277 119.914 -0.075 0.000 2.448 894 V HA 0.755 4.786 4.120 -0.149 0.000 0.295 894 V C -0.609 175.434 176.094 -0.084 0.000 1.025 894 V CA -0.578 61.683 62.300 -0.066 0.000 0.859 894 V CB 0.928 32.716 31.823 -0.058 0.000 0.988 894 V HN 0.877 nan 8.190 nan 0.000 0.431 895 L N 6.183 127.348 121.223 -0.097 0.000 2.331 895 L HA 0.647 4.898 4.340 -0.149 0.000 0.275 895 L C -1.590 175.161 176.870 -0.199 0.000 1.022 895 L CA -1.499 53.212 54.840 -0.215 0.000 0.812 895 L CB 2.444 44.292 42.059 -0.353 0.000 1.257 895 L HN 0.469 nan 8.230 nan 0.000 0.435 896 P HA 0.067 nan 4.420 nan 0.000 0.257 896 P C 1.172 178.409 177.300 -0.105 0.000 1.325 896 P CA 0.089 63.089 63.100 -0.167 0.000 0.850 896 P CB 0.068 31.706 31.700 -0.103 0.000 1.324 897 F N 2.645 122.661 119.950 0.110 0.000 2.147 897 F HA -0.228 4.198 4.527 -0.168 0.000 0.301 897 F C 2.108 177.920 175.800 0.020 0.000 1.084 897 F CA 1.601 59.686 58.000 0.143 0.000 1.268 897 F CB -1.716 37.389 39.000 0.176 0.000 1.009 897 F HN 0.148 nan 8.300 nan 0.000 0.486 898 N N 0.272 119.040 118.700 0.113 0.000 2.512 898 N HA -0.151 4.500 4.740 -0.149 0.000 0.183 898 N C 1.180 176.601 175.510 -0.149 0.000 1.073 898 N CA 0.871 53.924 53.050 0.004 0.000 0.911 898 N CB -0.383 38.100 38.487 -0.007 0.000 0.964 898 N HN 0.184 nan 8.380 nan 0.000 0.447 899 K N -0.137 120.044 120.400 -0.366 0.000 2.361 899 K HA 0.108 4.338 4.320 -0.149 0.000 0.196 899 K C -0.381 175.752 176.600 -0.779 0.000 1.039 899 K CA 0.252 56.126 56.287 -0.687 0.000 1.001 899 K CB 0.108 31.892 32.500 -1.194 0.000 0.795 899 K HN 0.226 nan 8.250 nan 0.000 0.495 900 F N 1.192 121.107 119.950 -0.058 0.000 2.686 900 F HA 0.288 4.750 4.527 -0.109 0.000 0.365 900 F C -1.834 174.005 175.800 0.065 0.000 1.196 900 F CA -2.669 55.323 58.000 -0.013 0.000 1.198 900 F CB 1.430 40.365 39.000 -0.109 0.000 1.454 900 F HN -0.170 nan 8.300 nan 0.000 0.539 901 P HA -0.073 nan 4.420 nan 0.000 0.218 901 P C 1.783 179.146 177.300 0.105 0.000 1.149 901 P CA 1.178 64.344 63.100 0.110 0.000 0.817 901 P CB 0.272 31.998 31.700 0.044 0.000 0.785 902 G N -0.313 108.563 108.800 0.126 0.000 2.708 902 G HA2 -0.001 3.869 3.960 -0.149 0.000 0.210 902 G HA3 -0.001 3.869 3.960 -0.149 0.000 0.210 902 G C 0.414 175.378 174.900 0.107 0.000 1.141 902 G CA 0.078 45.235 45.100 0.095 0.000 0.788 902 G HN 0.206 nan 8.290 nan 0.000 0.531 903 V N 0.711 120.722 119.914 0.162 0.000 2.539 903 V HA 0.203 4.233 4.120 -0.149 0.000 0.292 903 V C -0.404 175.705 176.094 0.026 0.000 1.045 903 V CA -1.079 61.325 62.300 0.173 0.000 0.945 903 V CB 1.889 33.952 31.823 0.399 0.000 0.993 903 V HN 0.113 nan 8.190 nan 0.000 0.464 904 D N 6.536 126.905 120.400 -0.051 0.000 2.352 904 D HA 0.191 4.741 4.640 -0.149 0.000 0.245 904 D C -2.146 173.878 176.300 -0.460 0.000 1.224 904 D CA -1.970 51.925 54.000 -0.176 0.000 0.879 904 D CB 1.394 42.132 40.800 -0.104 0.000 1.057 904 D HN 0.259 nan 8.370 nan 0.000 0.491 905 P HA 0.157 nan 4.420 nan 0.000 0.230 905 P C -0.744 176.109 177.300 -0.745 0.000 1.791 905 P CA -0.405 61.773 63.100 -1.537 0.000 1.020 905 P CB -0.111 31.242 31.700 -0.578 0.000 1.977 906 L N 1.951 122.856 121.223 -0.530 0.000 2.370 906 L HA 0.454 4.705 4.340 -0.149 0.000 0.266 906 L C -0.710 176.236 176.870 0.126 0.000 1.002 906 L CA -1.147 53.652 54.840 -0.068 0.000 0.818 906 L CB 1.731 43.751 42.059 -0.066 0.000 1.325 906 L HN -0.025 nan 8.230 nan 0.000 0.418 907 L N 3.260 124.583 121.223 0.168 0.000 2.421 907 L HA 0.945 5.195 4.340 -0.149 0.000 0.263 907 L C 0.634 177.580 176.870 0.126 0.000 1.122 907 L CA -0.081 54.871 54.840 0.187 0.000 0.804 907 L CB 0.980 43.142 42.059 0.172 0.000 1.150 907 L HN 0.794 nan 8.230 nan 0.000 0.457 908 G N -0.177 108.695 108.800 0.121 0.000 2.490 908 G HA2 0.337 4.207 3.960 -0.149 0.000 0.308 908 G HA3 0.337 4.207 3.960 -0.149 0.000 0.308 908 G C -2.688 172.274 174.900 0.103 0.000 1.286 908 G CA -0.351 44.798 45.100 0.081 0.000 0.825 908 G HN 0.314 nan 8.290 nan 0.000 0.479 909 P HA 0.057 nan 4.420 nan 0.000 0.239 909 P C 0.184 177.582 177.300 0.163 0.000 1.184 909 P CA 0.937 64.100 63.100 0.105 0.000 0.760 909 P CB 0.473 32.182 31.700 0.015 0.000 0.884 910 E N 0.071 120.308 120.200 0.061 0.000 2.171 910 E HA 0.334 4.594 4.350 -0.149 0.000 0.271 910 E C -0.580 175.906 176.600 -0.190 0.000 0.916 910 E CA -1.073 55.287 56.400 -0.067 0.000 0.774 910 E CB 1.137 30.781 29.700 -0.093 0.000 1.128 910 E HN -0.090 nan 8.360 nan 0.000 0.403 911 M N 4.261 123.552 119.600 -0.516 0.000 2.219 911 M HA 0.147 4.538 4.480 -0.149 0.000 0.353 911 M C 0.221 176.360 176.300 -0.268 0.000 1.304 911 M CA 0.523 55.538 55.300 -0.475 0.000 1.115 911 M CB 0.374 32.515 32.600 -0.764 0.000 1.664 911 M HN 0.472 nan 8.290 nan 0.000 0.459 912 R N 1.338 121.732 120.500 -0.176 0.000 2.541 912 R HA 0.191 4.442 4.340 -0.149 0.000 0.332 912 R C -0.058 176.183 176.300 -0.098 0.000 0.951 912 R CA 0.136 56.139 56.100 -0.160 0.000 1.136 912 R CB 0.711 30.905 30.300 -0.177 0.000 1.449 912 R HN 0.840 nan 8.270 nan 0.000 0.531 913 S N -0.963 114.672 115.700 -0.108 0.000 2.585 913 S HA 0.088 4.468 4.470 -0.149 0.000 0.273 913 S C 1.165 175.736 174.600 -0.048 0.000 1.339 913 S CA 0.108 58.254 58.200 -0.091 0.000 1.028 913 S CB 1.613 64.764 63.200 -0.082 0.000 0.906 913 S HN 0.263 nan 8.310 nan 0.000 0.528 914 T N -0.950 113.577 114.554 -0.044 0.000 3.034 914 T HA 0.495 4.755 4.350 -0.149 0.000 0.248 914 T C 0.855 175.538 174.700 -0.028 0.000 1.040 914 T CA 0.286 62.372 62.100 -0.024 0.000 1.107 914 T CB -0.274 68.580 68.868 -0.024 0.000 0.932 914 T HN 1.060 nan 8.240 nan 0.000 0.474 915 G N 0.549 109.323 108.800 -0.044 0.000 2.749 915 G HA2 0.642 4.513 3.960 -0.149 0.000 0.300 915 G HA3 0.642 4.513 3.960 -0.149 0.000 0.300 915 G C -2.021 172.838 174.900 -0.069 0.000 1.352 915 G CA -0.842 44.230 45.100 -0.047 0.000 0.789 915 G HN 0.563 nan 8.290 nan 0.000 0.509 916 E N -2.081 118.075 120.200 -0.075 0.000 2.430 916 E HA 0.631 4.891 4.350 -0.149 0.000 0.279 916 E C -1.223 175.323 176.600 -0.090 0.000 1.003 916 E CA -1.028 55.310 56.400 -0.102 0.000 0.801 916 E CB 2.128 31.746 29.700 -0.138 0.000 1.313 916 E HN 1.005 nan 8.360 nan 0.000 0.459 917 V N -1.492 118.357 119.914 -0.109 0.000 3.074 917 V HA 0.735 4.765 4.120 -0.149 0.000 0.314 917 V C -0.457 175.585 176.094 -0.087 0.000 1.117 917 V CA -1.093 61.156 62.300 -0.085 0.000 1.014 917 V CB 1.868 33.635 31.823 -0.093 0.000 1.057 917 V HN 0.910 nan 8.190 nan 0.000 0.438 918 M N 1.911 121.491 119.600 -0.033 0.000 2.393 918 M HA 0.824 5.215 4.480 -0.149 0.000 0.316 918 M C -0.387 175.909 176.300 -0.006 0.000 1.087 918 M CA -0.272 55.045 55.300 0.029 0.000 0.937 918 M CB 1.983 34.687 32.600 0.174 0.000 1.668 918 M HN 1.149 nan 8.290 nan 0.000 0.438 919 G N 3.200 111.998 108.800 -0.004 0.000 2.590 919 G HA2 0.633 4.503 3.960 -0.149 0.000 0.310 919 G HA3 0.633 4.503 3.960 -0.149 0.000 0.310 919 G C -1.834 173.077 174.900 0.017 0.000 1.347 919 G CA -0.414 44.659 45.100 -0.044 0.000 0.963 919 G HN 0.586 nan 8.290 nan 0.000 0.494 920 V N 1.476 121.386 119.914 -0.007 0.000 2.448 920 V HA 0.923 4.953 4.120 -0.149 0.000 0.295 920 V C 0.607 176.715 176.094 0.023 0.000 1.025 920 V CA 0.121 62.418 62.300 -0.005 0.000 0.859 920 V CB 1.334 33.070 31.823 -0.146 0.000 0.988 920 V HN 1.126 nan 8.190 nan 0.000 0.431 921 G N 3.528 112.406 108.800 0.130 0.000 2.682 921 G HA2 0.488 4.358 3.960 -0.149 0.000 0.290 921 G HA3 0.488 4.358 3.960 -0.149 0.000 0.290 921 G C -0.042 175.002 174.900 0.238 0.000 1.425 921 G CA -0.708 44.471 45.100 0.132 0.000 0.807 921 G HN 0.505 nan 8.290 nan 0.000 0.482 922 R N -1.089 119.524 120.500 0.189 0.000 2.115 922 R HA 0.102 4.352 4.340 -0.149 0.000 0.226 922 R C 1.201 177.683 176.300 0.304 0.000 1.100 922 R CA 1.580 57.806 56.100 0.209 0.000 0.980 922 R CB -0.094 30.289 30.300 0.139 0.000 0.875 922 R HN 0.626 nan 8.270 nan 0.000 0.445 923 T N -3.627 111.096 114.554 0.281 0.000 2.908 923 T HA 0.200 4.460 4.350 -0.149 0.000 0.290 923 T C 0.512 175.312 174.700 0.166 0.000 1.034 923 T CA -0.901 61.379 62.100 0.299 0.000 1.010 923 T CB 1.620 70.587 68.868 0.165 0.000 1.068 923 T HN 0.065 nan 8.240 nan 0.000 0.481 924 F N 2.064 121.817 119.950 -0.327 0.000 2.126 924 F HA 0.003 4.440 4.527 -0.151 0.000 0.299 924 F C 2.469 178.167 175.800 -0.171 0.000 1.096 924 F CA 1.999 59.643 58.000 -0.593 0.000 1.255 924 F CB -0.826 37.671 39.000 -0.838 0.000 0.997 924 F HN 0.761 nan 8.300 nan 0.000 0.479 925 A N -0.162 122.667 122.820 0.014 0.000 1.940 925 A HA -0.262 3.968 4.320 -0.149 0.000 0.219 925 A C 2.298 179.840 177.584 -0.071 0.000 1.176 925 A CA 1.931 53.961 52.037 -0.012 0.000 0.631 925 A CB -0.982 18.066 19.000 0.079 0.000 0.814 925 A HN 0.641 nan 8.150 nan 0.000 0.446 926 E N -0.369 119.808 120.200 -0.038 0.000 2.112 926 E HA -0.003 4.258 4.350 -0.149 0.000 0.190 926 E C 2.151 178.709 176.600 -0.070 0.000 0.979 926 E CA 0.742 57.124 56.400 -0.028 0.000 0.814 926 E CB -0.184 29.528 29.700 0.020 0.000 0.762 926 E HN 0.521 nan 8.360 nan 0.000 0.460 927 A N 0.874 123.640 122.820 -0.090 0.000 1.858 927 A HA -0.173 4.058 4.320 -0.149 0.000 0.216 927 A C 1.983 179.439 177.584 -0.214 0.000 1.190 927 A CA 1.168 53.144 52.037 -0.101 0.000 0.617 927 A CB -1.006 17.983 19.000 -0.018 0.000 0.827 927 A HN 0.456 nan 8.150 nan 0.000 0.443 928 F N 0.813 120.449 119.950 -0.524 0.000 2.161 928 F HA -0.139 4.297 4.527 -0.151 0.000 0.300 928 F C 2.547 178.168 175.800 -0.298 0.000 1.089 928 F CA 1.242 58.931 58.000 -0.519 0.000 1.282 928 F CB -0.152 38.375 39.000 -0.787 0.000 1.010 928 F HN 0.259 nan 8.300 nan 0.000 0.485 929 A N -0.306 122.438 122.820 -0.127 0.000 1.933 929 A HA -0.195 4.035 4.320 -0.149 0.000 0.218 929 A C 2.187 179.655 177.584 -0.193 0.000 1.175 929 A CA 1.800 53.759 52.037 -0.130 0.000 0.628 929 A CB -0.529 18.423 19.000 -0.080 0.000 0.814 929 A HN 0.423 nan 8.150 nan 0.000 0.444 930 K N -0.484 119.805 120.400 -0.185 0.000 2.076 930 K HA 0.106 4.336 4.320 -0.149 0.000 0.204 930 K C 2.331 178.808 176.600 -0.204 0.000 1.051 930 K CA 0.897 57.084 56.287 -0.166 0.000 0.949 930 K CB -0.264 32.166 32.500 -0.117 0.000 0.726 930 K HN 0.402 nan 8.250 nan 0.000 0.443 931 A N 1.313 123.965 122.820 -0.280 0.000 1.877 931 A HA -0.270 3.960 4.320 -0.149 0.000 0.216 931 A C 2.141 179.497 177.584 -0.379 0.000 1.186 931 A CA 1.596 53.435 52.037 -0.330 0.000 0.620 931 A CB -0.583 18.149 19.000 -0.446 0.000 0.822 931 A HN 0.351 nan 8.150 nan 0.000 0.443 932 Q N -1.047 118.452 119.800 -0.502 0.000 2.061 932 Q HA -0.200 4.051 4.340 -0.149 0.000 0.204 932 Q C 2.043 177.908 176.000 -0.225 0.000 0.984 932 Q CA 1.790 57.350 55.803 -0.404 0.000 0.846 932 Q CB -0.256 28.228 28.738 -0.424 0.000 0.902 932 Q HN 0.538 nan 8.270 nan 0.000 0.421 933 L N 0.289 121.395 121.223 -0.195 0.000 2.012 933 L HA -0.066 4.184 4.340 -0.149 0.000 0.210 933 L C 2.163 178.980 176.870 -0.088 0.000 1.073 933 L CA 2.414 57.177 54.840 -0.129 0.000 0.748 933 L CB -1.078 40.892 42.059 -0.148 0.000 0.891 933 L HN 0.311 nan 8.230 nan 0.000 0.431 934 G N -1.553 107.181 108.800 -0.110 0.000 2.450 934 G HA2 -0.314 3.556 3.960 -0.149 0.000 0.220 934 G HA3 -0.314 3.556 3.960 -0.149 0.000 0.220 934 G C 1.500 176.356 174.900 -0.074 0.000 1.130 934 G CA 0.991 46.043 45.100 -0.081 0.000 0.760 934 G HN 0.589 nan 8.290 nan 0.000 0.557 935 S N -0.542 115.098 115.700 -0.100 0.000 2.701 935 S HA 0.052 4.432 4.470 -0.149 0.000 0.220 935 S C 1.033 175.609 174.600 -0.040 0.000 0.954 935 S CA 0.733 58.884 58.200 -0.081 0.000 0.936 935 S CB -0.686 62.447 63.200 -0.111 0.000 0.777 935 S HN 0.598 nan 8.310 nan 0.000 0.518 936 N N 0.233 118.918 118.700 -0.024 0.000 2.829 936 N HA -0.196 4.454 4.740 -0.149 0.000 0.250 936 N C -0.264 175.267 175.510 0.034 0.000 1.090 936 N CA 0.563 53.618 53.050 0.009 0.000 0.781 936 N CB -1.644 36.847 38.487 0.006 0.000 1.124 936 N HN 0.572 nan 8.380 nan 0.000 0.559 937 S N -0.180 115.535 115.700 0.025 0.000 2.572 937 S HA 0.170 4.550 4.470 -0.149 0.000 0.279 937 S C 1.440 176.088 174.600 0.080 0.000 1.341 937 S CA 0.764 59.013 58.200 0.082 0.000 1.043 937 S CB 1.060 64.259 63.200 -0.000 0.000 0.887 937 S HN 0.319 nan 8.310 nan 0.000 0.516 938 T N 2.771 117.418 114.554 0.155 0.000 3.223 938 T HA 0.263 4.523 4.350 -0.149 0.000 0.259 938 T C 0.383 175.161 174.700 0.130 0.000 1.015 938 T CA -0.534 61.649 62.100 0.137 0.000 0.908 938 T CB -0.345 68.619 68.868 0.161 0.000 1.054 938 T HN 0.539 nan 8.240 nan 0.000 0.567 939 M N 3.221 122.843 119.600 0.036 0.000 2.248 939 M HA 0.270 4.660 4.480 -0.149 0.000 0.345 939 M C -0.239 176.055 176.300 -0.009 0.000 1.243 939 M CA -0.308 54.969 55.300 -0.038 0.000 1.090 939 M CB 0.165 32.538 32.600 -0.377 0.000 1.683 939 M HN 0.030 nan 8.290 nan 0.000 0.450 940 K N 4.314 124.734 120.400 0.032 0.000 2.258 940 K HA 0.368 4.599 4.320 -0.149 0.000 0.236 940 K C -0.100 176.521 176.600 0.035 0.000 1.008 940 K CA -0.737 55.527 56.287 -0.039 0.000 0.869 940 K CB 1.031 33.362 32.500 -0.282 0.000 1.171 940 K HN 0.614 nan 8.250 nan 0.000 0.447 941 K N 0.974 121.381 120.400 0.012 0.000 2.387 941 K HA 0.037 4.267 4.320 -0.149 0.000 0.198 941 K C 0.403 177.012 176.600 0.014 0.000 1.022 941 K CA 0.224 56.580 56.287 0.116 0.000 1.128 941 K CB 0.130 32.691 32.500 0.102 0.000 0.853 941 K HN 0.616 nan 8.250 nan 0.000 0.523 942 H N -2.777 116.102 119.070 -0.317 0.000 2.905 942 H HA 0.545 5.011 4.556 -0.148 0.000 0.280 942 H C 0.184 174.974 175.328 -0.898 0.000 1.445 942 H CA -0.215 55.313 56.048 -0.867 0.000 1.165 942 H CB 0.874 30.409 29.762 -0.379 0.000 1.857 942 H HN 0.083 nan 8.280 nan 0.000 0.567 943 G N 0.616 109.071 108.800 -0.575 0.000 2.443 943 G HA2 -0.087 3.784 3.960 -0.149 0.000 0.209 943 G HA3 -0.087 3.784 3.960 -0.149 0.000 0.209 943 G C -1.045 173.844 174.900 -0.019 0.000 1.176 943 G CA -0.218 44.790 45.100 -0.153 0.000 1.074 943 G HN 0.843 nan 8.290 nan 0.000 0.577 944 R N 0.389 121.045 120.500 0.260 0.000 2.534 944 R HA 0.720 4.970 4.340 -0.149 0.000 0.301 944 R C 0.066 176.715 176.300 0.582 0.000 0.961 944 R CA 0.112 56.466 56.100 0.423 0.000 0.871 944 R CB 1.421 31.894 30.300 0.288 0.000 1.170 944 R HN 1.504 nan 8.270 nan 0.000 0.446 945 A N 3.681 126.794 122.820 0.488 0.000 2.294 945 A HA 0.590 4.820 4.320 -0.149 0.000 0.330 945 A C -1.416 176.180 177.584 0.020 0.000 1.133 945 A CA -0.741 51.436 52.037 0.234 0.000 0.836 945 A CB 1.281 20.351 19.000 0.117 0.000 1.190 945 A HN 0.587 nan 8.150 nan 0.000 0.492 946 L N 1.442 122.488 121.223 -0.294 0.000 2.356 946 L HA 0.713 4.963 4.340 -0.149 0.000 0.277 946 L C -1.703 174.975 176.870 -0.320 0.000 0.996 946 L CA -0.351 54.216 54.840 -0.455 0.000 0.822 946 L CB 1.340 42.783 42.059 -1.025 0.000 1.256 946 L HN 0.473 nan 8.230 nan 0.000 0.413 947 L N 4.219 125.325 121.223 -0.196 0.000 2.341 947 L HA 0.762 5.012 4.340 -0.149 0.000 0.278 947 L C -0.018 176.773 176.870 -0.132 0.000 1.005 947 L CA -0.160 54.582 54.840 -0.163 0.000 0.818 947 L CB 1.778 43.777 42.059 -0.101 0.000 1.259 947 L HN 0.653 nan 8.230 nan 0.000 0.418 948 S N 2.317 117.939 115.700 -0.130 0.000 2.387 948 S HA 0.592 4.972 4.470 -0.149 0.000 0.211 948 S C -0.933 173.621 174.600 -0.077 0.000 1.055 948 S CA -0.535 57.609 58.200 -0.094 0.000 1.133 948 S CB 0.383 63.515 63.200 -0.113 0.000 1.235 948 S HN 0.507 nan 8.310 nan 0.000 0.425 949 V N 2.956 122.839 119.914 -0.051 0.000 3.019 949 V HA 0.837 4.867 4.120 -0.149 0.000 0.317 949 V C 0.125 176.207 176.094 -0.021 0.000 1.094 949 V CA -1.378 60.901 62.300 -0.035 0.000 1.000 949 V CB 1.347 33.153 31.823 -0.029 0.000 1.060 949 V HN 0.865 nan 8.190 nan 0.000 0.443 950 R N 0.835 121.325 120.500 -0.016 0.000 2.822 950 R HA 0.370 4.620 4.340 -0.149 0.000 0.277 950 R C 1.002 177.297 176.300 -0.007 0.000 1.102 950 R CA -0.230 55.859 56.100 -0.018 0.000 1.207 950 R CB 0.060 30.346 30.300 -0.023 0.000 1.139 950 R HN 0.682 nan 8.270 nan 0.000 0.557 951 E N 0.669 120.861 120.200 -0.013 0.000 2.023 951 E HA -0.135 4.125 4.350 -0.149 0.000 0.196 951 E C 2.135 178.740 176.600 0.008 0.000 1.003 951 E CA 2.192 58.590 56.400 -0.004 0.000 0.809 951 E CB -0.972 28.720 29.700 -0.014 0.000 0.755 951 E HN 0.859 nan 8.360 nan 0.000 0.449 952 G N 0.612 109.417 108.800 0.009 0.000 2.485 952 G HA2 -0.248 3.622 3.960 -0.149 0.000 0.221 952 G HA3 -0.248 3.622 3.960 -0.149 0.000 0.221 952 G C 1.155 176.076 174.900 0.035 0.000 1.115 952 G CA 1.115 46.230 45.100 0.024 0.000 0.751 952 G HN 0.197 nan 8.290 nan 0.000 0.567 953 D N -0.173 120.247 120.400 0.033 0.000 2.327 953 D HA 0.076 4.626 4.640 -0.149 0.000 0.205 953 D C 2.337 178.662 176.300 0.042 0.000 0.989 953 D CA 0.229 54.256 54.000 0.045 0.000 0.873 953 D CB -0.007 40.815 40.800 0.036 0.000 0.955 953 D HN 0.218 nan 8.370 nan 0.000 0.515 954 K N 0.836 121.253 120.400 0.028 0.000 2.173 954 K HA -0.215 4.016 4.320 -0.149 0.000 0.207 954 K C 1.896 178.516 176.600 0.034 0.000 1.046 954 K CA 1.189 57.490 56.287 0.025 0.000 0.929 954 K CB 0.103 32.614 32.500 0.019 0.000 0.720 954 K HN 0.234 nan 8.250 nan 0.000 0.453 955 E N 0.802 121.026 120.200 0.040 0.000 2.028 955 E HA -0.189 4.072 4.350 -0.149 0.000 0.190 955 E C 2.076 178.716 176.600 0.067 0.000 0.984 955 E CA 1.015 57.441 56.400 0.044 0.000 0.800 955 E CB 0.084 29.806 29.700 0.037 0.000 0.758 955 E HN 0.162 nan 8.360 nan 0.000 0.448 956 R N 0.172 120.728 120.500 0.093 0.000 2.189 956 R HA -0.041 4.209 4.340 -0.149 0.000 0.218 956 R C 2.391 178.826 176.300 0.225 0.000 1.074 956 R CA 0.614 56.813 56.100 0.165 0.000 0.991 956 R CB -0.114 30.308 30.300 0.203 0.000 0.883 956 R HN 0.145 nan 8.270 nan 0.000 0.457 957 V N 0.375 120.360 119.914 0.117 0.000 2.469 957 V HA -0.223 3.807 4.120 -0.149 0.000 0.251 957 V C 1.906 178.028 176.094 0.047 0.000 1.064 957 V CA 1.698 64.023 62.300 0.042 0.000 1.066 957 V CB -0.035 31.786 31.823 -0.002 0.000 0.667 957 V HN 0.148 nan 8.190 nan 0.000 0.461 958 V N 0.422 120.381 119.914 0.075 0.000 2.287 958 V HA -0.259 3.771 4.120 -0.149 0.000 0.248 958 V C 2.425 178.580 176.094 0.101 0.000 1.053 958 V CA 2.520 64.860 62.300 0.067 0.000 1.027 958 V CB -0.835 31.022 31.823 0.057 0.000 0.646 958 V HN 0.699 nan 8.190 nan 0.000 0.447 959 D N -0.077 120.431 120.400 0.180 0.000 2.144 959 D HA -0.165 4.385 4.640 -0.149 0.000 0.199 959 D C 1.967 178.436 176.300 0.282 0.000 0.984 959 D CA 1.337 55.482 54.000 0.242 0.000 0.834 959 D CB -0.139 40.834 40.800 0.288 0.000 0.955 959 D HN 0.373 nan 8.370 nan 0.000 0.465 960 L N 0.206 121.533 121.223 0.173 0.000 2.093 960 L HA 0.083 4.334 4.340 -0.149 0.000 0.208 960 L C 2.154 178.963 176.870 -0.102 0.000 1.085 960 L CA 2.037 56.737 54.840 -0.233 0.000 0.755 960 L CB -0.851 40.612 42.059 -0.992 0.000 0.904 960 L HN 0.012 nan 8.230 nan 0.000 0.435 961 A N 0.032 122.825 122.820 -0.045 0.000 1.883 961 A HA -0.129 4.101 4.320 -0.149 0.000 0.217 961 A C 2.502 180.099 177.584 0.021 0.000 1.186 961 A CA 1.976 54.004 52.037 -0.015 0.000 0.624 961 A CB -1.296 17.706 19.000 0.004 0.000 0.822 961 A HN 0.620 nan 8.150 nan 0.000 0.444 962 A N -0.281 122.567 122.820 0.046 0.000 1.883 962 A HA -0.209 4.021 4.320 -0.149 0.000 0.217 962 A C 2.113 179.735 177.584 0.063 0.000 1.186 962 A CA 2.112 54.185 52.037 0.060 0.000 0.624 962 A CB -0.520 18.522 19.000 0.071 0.000 0.822 962 A HN 0.531 nan 8.150 nan 0.000 0.444 963 K N -0.459 119.983 120.400 0.069 0.000 2.009 963 K HA -0.094 4.136 4.320 -0.149 0.000 0.210 963 K C 1.881 178.503 176.600 0.037 0.000 1.049 963 K CA 1.639 57.964 56.287 0.064 0.000 0.929 963 K CB -0.437 32.118 32.500 0.091 0.000 0.714 963 K HN 0.474 nan 8.250 nan 0.000 0.440 964 L N 0.747 121.962 121.223 -0.013 0.000 2.042 964 L HA -0.233 4.017 4.340 -0.149 0.000 0.210 964 L C 2.343 179.295 176.870 0.138 0.000 1.076 964 L CA 1.088 55.906 54.840 -0.037 0.000 0.749 964 L CB -0.393 41.580 42.059 -0.145 0.000 0.893 964 L HN 0.239 nan 8.230 nan 0.000 0.432 965 L N -0.288 121.000 121.223 0.109 0.000 2.017 965 L HA -0.277 3.973 4.340 -0.149 0.000 0.208 965 L C 2.747 179.691 176.870 0.123 0.000 1.073 965 L CA 1.499 56.416 54.840 0.127 0.000 0.745 965 L CB -0.413 41.697 42.059 0.085 0.000 0.894 965 L HN 0.273 nan 8.230 nan 0.000 0.432 966 K N -0.582 119.877 120.400 0.099 0.000 2.103 966 K HA -0.234 3.996 4.320 -0.149 0.000 0.207 966 K C 2.057 178.721 176.600 0.107 0.000 1.048 966 K CA 1.227 57.566 56.287 0.087 0.000 0.930 966 K CB 0.053 32.596 32.500 0.071 0.000 0.716 966 K HN 0.211 nan 8.250 nan 0.000 0.444 967 Q N -0.659 119.233 119.800 0.154 0.000 2.500 967 Q HA -0.046 4.204 4.340 -0.149 0.000 0.213 967 Q C 0.880 176.999 176.000 0.199 0.000 0.974 967 Q CA 1.162 57.086 55.803 0.200 0.000 0.918 967 Q CB 0.537 29.448 28.738 0.288 0.000 0.980 967 Q HN 0.657 nan 8.270 nan 0.000 0.505 968 G N -0.410 108.496 108.800 0.177 0.000 2.159 968 G HA2 -0.249 3.621 3.960 -0.149 0.000 0.227 968 G HA3 -0.249 3.621 3.960 -0.149 0.000 0.227 968 G C -0.075 174.854 174.900 0.048 0.000 0.986 968 G CA -0.195 44.954 45.100 0.082 0.000 0.651 968 G HN 0.274 nan 8.290 nan 0.000 0.523 969 F N 0.751 120.741 119.950 0.066 0.000 2.380 969 F HA 0.623 5.061 4.527 -0.149 0.000 0.325 969 F C 1.026 176.873 175.800 0.079 0.000 1.136 969 F CA -0.244 57.806 58.000 0.083 0.000 1.171 969 F CB 0.853 39.903 39.000 0.083 0.000 1.230 969 F HN 0.057 nan 8.300 nan 0.000 0.554 970 E N 1.271 121.640 120.200 0.282 0.000 2.214 970 E HA 0.552 4.812 4.350 -0.149 0.000 0.274 970 E C -1.226 175.515 176.600 0.235 0.000 0.977 970 E CA -0.516 56.003 56.400 0.199 0.000 0.827 970 E CB 1.284 31.065 29.700 0.135 0.000 1.130 970 E HN 0.350 nan 8.360 nan 0.000 0.394 971 L N 2.030 123.352 121.223 0.165 0.000 2.342 971 L HA 0.589 4.840 4.340 -0.149 0.000 0.271 971 L C -0.783 176.159 176.870 0.121 0.000 1.008 971 L CA -1.043 53.882 54.840 0.141 0.000 0.818 971 L CB 1.631 43.746 42.059 0.092 0.000 1.296 971 L HN 0.404 nan 8.230 nan 0.000 0.427 972 D N 1.134 121.604 120.400 0.117 0.000 2.575 972 D HA 0.826 5.377 4.640 -0.149 0.000 0.236 972 D C -0.957 175.358 176.300 0.025 0.000 1.075 972 D CA -0.167 53.895 54.000 0.104 0.000 0.860 972 D CB 2.448 43.378 40.800 0.217 0.000 1.475 972 D HN 0.698 nan 8.370 nan 0.000 0.474 973 A N 0.377 123.207 122.820 0.017 0.000 2.594 973 A HA 0.712 4.942 4.320 -0.149 0.000 0.295 973 A C -0.282 177.302 177.584 -0.000 0.000 1.071 973 A CA -0.805 51.224 52.037 -0.013 0.000 0.685 973 A CB 1.120 20.111 19.000 -0.015 0.000 1.285 973 A HN 0.458 nan 8.150 nan 0.000 0.405 974 T N -1.360 113.190 114.554 -0.005 0.000 2.899 974 T HA 0.392 4.653 4.350 -0.149 0.000 0.284 974 T C 1.130 175.870 174.700 0.067 0.000 1.004 974 T CA 0.625 62.740 62.100 0.025 0.000 1.043 974 T CB 0.593 69.463 68.868 0.003 0.000 1.013 974 T HN 0.838 nan 8.240 nan 0.000 0.518 975 H N 1.822 120.889 119.070 -0.004 0.000 2.314 975 H HA -0.221 4.245 4.556 -0.149 0.000 0.288 975 H C 2.440 177.769 175.328 0.002 0.000 1.091 975 H CA 2.582 58.632 56.048 0.004 0.000 1.155 975 H CB -0.926 28.844 29.762 0.013 0.000 1.362 975 H HN 0.835 nan 8.280 nan 0.000 0.530 976 G N -1.633 107.340 108.800 0.288 0.000 2.505 976 G HA2 -0.339 3.531 3.960 -0.149 0.000 0.220 976 G HA3 -0.339 3.531 3.960 -0.149 0.000 0.220 976 G C 1.740 176.686 174.900 0.076 0.000 1.145 976 G CA 1.534 46.743 45.100 0.182 0.000 0.761 976 G HN 0.508 nan 8.290 nan 0.000 0.571 977 T N 1.229 115.809 114.554 0.043 0.000 2.857 977 T HA 0.143 4.404 4.350 -0.149 0.000 0.266 977 T C 2.793 177.490 174.700 -0.004 0.000 1.048 977 T CA 1.288 63.394 62.100 0.010 0.000 1.139 977 T CB -0.272 68.591 68.868 -0.008 0.000 0.874 977 T HN 0.385 nan 8.240 nan 0.000 0.455 978 A N 1.314 124.122 122.820 -0.019 0.000 1.969 978 A HA 0.007 4.237 4.320 -0.149 0.000 0.218 978 A C 2.175 179.721 177.584 -0.064 0.000 1.169 978 A CA 0.854 52.863 52.037 -0.047 0.000 0.635 978 A CB -0.532 18.423 19.000 -0.075 0.000 0.810 978 A HN 0.378 nan 8.150 nan 0.000 0.445 979 I N -0.353 120.175 120.570 -0.070 0.000 2.133 979 I HA -0.169 3.911 4.170 -0.149 0.000 0.238 979 I C 2.538 178.646 176.117 -0.016 0.000 1.074 979 I CA 1.170 62.437 61.300 -0.056 0.000 1.342 979 I CB -1.371 36.621 38.000 -0.014 0.000 1.053 979 I HN 0.141 nan 8.210 nan 0.000 0.404 980 V N 1.398 121.313 119.914 0.002 0.000 2.252 980 V HA -0.304 3.726 4.120 -0.149 0.000 0.249 980 V C 2.689 178.787 176.094 0.007 0.000 1.056 980 V CA 1.783 64.089 62.300 0.010 0.000 1.022 980 V CB -0.621 31.212 31.823 0.016 0.000 0.641 980 V HN 0.342 nan 8.190 nan 0.000 0.445 981 L N 0.009 121.233 121.223 0.002 0.000 2.012 981 L HA -0.158 4.092 4.340 -0.149 0.000 0.210 981 L C 2.641 179.513 176.870 0.003 0.000 1.073 981 L CA 1.946 56.789 54.840 0.005 0.000 0.748 981 L CB -1.246 40.813 42.059 0.001 0.000 0.891 981 L HN 0.508 nan 8.230 nan 0.000 0.431 982 G N -0.738 108.057 108.800 -0.008 0.000 2.421 982 G HA2 -0.266 3.605 3.960 -0.149 0.000 0.216 982 G HA3 -0.266 3.605 3.960 -0.149 0.000 0.216 982 G C 1.412 176.311 174.900 -0.002 0.000 1.171 982 G CA 0.580 45.675 45.100 -0.009 0.000 0.775 982 G HN 0.376 nan 8.290 nan 0.000 0.543 983 E N 0.174 120.373 120.200 -0.001 0.000 2.219 983 E HA -0.058 4.203 4.350 -0.149 0.000 0.198 983 E C 2.507 179.112 176.600 0.008 0.000 0.998 983 E CA 0.753 57.156 56.400 0.004 0.000 0.818 983 E CB -0.094 29.610 29.700 0.008 0.000 0.741 983 E HN 0.443 nan 8.360 nan 0.000 0.477 984 A N -0.904 121.922 122.820 0.011 0.000 2.275 984 A HA 0.345 4.575 4.320 -0.149 0.000 0.212 984 A C 1.536 179.129 177.584 0.016 0.000 1.201 984 A CA 0.768 52.815 52.037 0.015 0.000 0.843 984 A CB 0.256 19.268 19.000 0.021 0.000 0.873 984 A HN 0.336 nan 8.150 nan 0.000 0.492 985 G N -0.988 107.819 108.800 0.012 0.000 2.218 985 G HA2 -0.160 3.710 3.960 -0.149 0.000 0.216 985 G HA3 -0.160 3.710 3.960 -0.149 0.000 0.216 985 G C 0.039 174.949 174.900 0.016 0.000 0.994 985 G CA 0.000 45.109 45.100 0.014 0.000 0.637 985 G HN 0.408 nan 8.290 nan 0.000 0.505 986 I N 1.788 122.367 120.570 0.016 0.000 2.330 986 I HA 0.318 4.399 4.170 -0.149 0.000 0.289 986 I C -0.379 175.745 176.117 0.012 0.000 1.001 986 I CA -0.606 60.705 61.300 0.019 0.000 1.193 986 I CB 1.363 39.378 38.000 0.024 0.000 1.345 986 I HN 0.099 nan 8.210 nan 0.000 0.461 987 N N 8.268 126.976 118.700 0.014 0.000 2.609 987 N HA 0.343 4.994 4.740 -0.149 0.000 0.234 987 N C -2.393 173.127 175.510 0.016 0.000 1.001 987 N CA -1.308 51.746 53.050 0.008 0.000 0.926 987 N CB 0.983 39.473 38.487 0.005 0.000 1.130 987 N HN 0.383 nan 8.380 nan 0.000 0.510 988 P HA 0.122 nan 4.420 nan 0.000 0.277 988 P C -0.591 176.725 177.300 0.025 0.000 1.271 988 P CA -0.520 62.596 63.100 0.027 0.000 0.795 988 P CB 0.987 32.698 31.700 0.019 0.000 1.101 989 R N 0.613 121.139 120.500 0.043 0.000 2.265 989 R HA 0.333 4.583 4.340 -0.149 0.000 0.314 989 R C -0.396 175.925 176.300 0.035 0.000 1.053 989 R CA -0.733 55.391 56.100 0.039 0.000 0.931 989 R CB 0.017 30.349 30.300 0.053 0.000 1.024 989 R HN 0.342 nan 8.270 nan 0.000 0.457 990 L N 6.302 127.536 121.223 0.018 0.000 2.410 990 L HA 0.237 4.488 4.340 -0.149 0.000 0.273 990 L C -0.736 176.154 176.870 0.034 0.000 1.152 990 L CA 0.080 54.928 54.840 0.013 0.000 0.855 990 L CB 1.326 43.380 42.059 -0.009 0.000 1.129 990 L HN 0.503 nan 8.230 nan 0.000 0.463 991 V N 1.825 121.764 119.914 0.043 0.000 2.914 991 V HA 0.598 4.629 4.120 -0.149 0.000 0.314 991 V C -0.286 175.836 176.094 0.046 0.000 1.084 991 V CA -0.977 61.356 62.300 0.055 0.000 0.963 991 V CB 1.785 33.664 31.823 0.094 0.000 1.025 991 V HN 0.846 nan 8.190 nan 0.000 0.432 992 N N 2.078 120.805 118.700 0.046 0.000 2.499 992 N HA 0.356 5.006 4.740 -0.149 0.000 0.281 992 N C -0.244 175.267 175.510 0.001 0.000 1.098 992 N CA -0.676 52.391 53.050 0.029 0.000 0.979 992 N CB 1.107 39.619 38.487 0.042 0.000 1.121 992 N HN 0.681 nan 8.380 nan 0.000 0.466 993 K N 0.748 121.081 120.400 -0.112 0.000 2.136 993 K HA 0.107 4.337 4.320 -0.149 0.000 0.237 993 K C 0.941 177.375 176.600 -0.277 0.000 1.048 993 K CA -0.577 55.559 56.287 -0.252 0.000 0.880 993 K CB 0.566 32.777 32.500 -0.482 0.000 1.105 993 K HN 0.203 nan 8.250 nan 0.000 0.507 994 V N 0.977 120.661 119.914 -0.384 0.000 2.358 994 V HA -0.224 3.806 4.120 -0.149 0.000 0.246 994 V C 1.997 178.011 176.094 -0.133 0.000 1.047 994 V CA 2.034 64.118 62.300 -0.359 0.000 1.035 994 V CB -1.077 30.401 31.823 -0.574 0.000 0.658 994 V HN 0.763 nan 8.190 nan 0.000 0.452 995 H N -0.705 118.356 119.070 -0.016 0.000 2.556 995 H HA 0.107 4.573 4.556 -0.150 0.000 0.268 995 H C 1.763 177.109 175.328 0.029 0.000 0.996 995 H CA 0.953 57.005 56.048 0.007 0.000 1.157 995 H CB -0.401 29.352 29.762 -0.014 0.000 1.355 995 H HN 0.466 nan 8.280 nan 0.000 0.597 996 E N 0.105 120.287 120.200 -0.029 0.000 2.276 996 E HA 0.289 4.549 4.350 -0.149 0.000 0.193 996 E C 0.600 177.242 176.600 0.070 0.000 0.983 996 E CA 0.443 56.888 56.400 0.073 0.000 0.861 996 E CB 0.506 30.200 29.700 -0.010 0.000 0.817 996 E HN 0.624 nan 8.360 nan 0.000 0.485 997 G N 0.040 108.885 108.800 0.075 0.000 2.356 997 G HA2 0.146 4.016 3.960 -0.149 0.000 0.300 997 G HA3 0.146 4.016 3.960 -0.149 0.000 0.300 997 G C -1.606 173.305 174.900 0.018 0.000 1.331 997 G CA -1.104 44.028 45.100 0.053 0.000 0.905 997 G HN -0.048 nan 8.290 nan 0.000 0.587 998 R N 0.700 121.176 120.500 -0.041 0.000 2.599 998 R HA 0.636 4.886 4.340 -0.149 0.000 0.295 998 R C -2.146 174.093 176.300 -0.102 0.000 0.963 998 R CA -1.346 54.675 56.100 -0.132 0.000 0.883 998 R CB 1.906 32.100 30.300 -0.177 0.000 1.171 998 R HN 0.505 nan 8.270 nan 0.000 0.450 999 P HA 0.189 nan 4.420 nan 0.000 0.278 999 P C -0.926 176.273 177.300 -0.169 0.000 1.266 999 P CA -0.458 62.492 63.100 -0.250 0.000 0.807 999 P CB 0.674 32.258 31.700 -0.193 0.000 1.094 1000 H N -1.056 117.999 119.070 -0.024 0.000 2.771 1000 H HA 0.280 4.747 4.556 -0.148 0.000 0.344 1000 H C 1.134 176.458 175.328 -0.006 0.000 1.260 1000 H CA -0.906 55.125 56.048 -0.029 0.000 1.276 1000 H CB 0.850 30.578 29.762 -0.056 0.000 1.881 1000 H HN 0.210 nan 8.280 nan 0.000 0.615 1001 I N -1.371 119.335 120.570 0.227 0.000 2.145 1001 I HA -0.337 3.744 4.170 -0.149 0.000 0.244 1001 I C 2.328 178.560 176.117 0.192 0.000 1.075 1001 I CA 1.627 63.034 61.300 0.178 0.000 1.332 1001 I CB -0.958 37.069 38.000 0.043 0.000 1.033 1001 I HN 0.587 nan 8.210 nan 0.000 0.410 1002 Q N 1.000 120.900 119.800 0.167 0.000 2.135 1002 Q HA -0.255 3.995 4.340 -0.149 0.000 0.204 1002 Q C 1.866 177.952 176.000 0.144 0.000 0.981 1002 Q CA 2.248 58.107 55.803 0.093 0.000 0.856 1002 Q CB -0.459 28.233 28.738 -0.077 0.000 0.902 1002 Q HN 0.654 nan 8.270 nan 0.000 0.425 1003 D N 0.065 120.645 120.400 0.301 0.000 2.097 1003 D HA -0.157 4.394 4.640 -0.149 0.000 0.195 1003 D C 2.076 178.339 176.300 -0.062 0.000 0.989 1003 D CA 1.080 55.096 54.000 0.026 0.000 0.827 1003 D CB -0.057 40.634 40.800 -0.181 0.000 0.966 1003 D HN 0.323 nan 8.370 nan 0.000 0.456 1004 R N 0.310 120.792 120.500 -0.028 0.000 2.075 1004 R HA -0.004 4.247 4.340 -0.149 0.000 0.232 1004 R C 2.649 178.846 176.300 -0.172 0.000 1.126 1004 R CA 0.523 56.537 56.100 -0.144 0.000 0.963 1004 R CB -0.366 29.826 30.300 -0.179 0.000 0.858 1004 R HN 0.261 nan 8.270 nan 0.000 0.435 1005 I N 1.661 122.240 120.570 0.016 0.000 2.163 1005 I HA -0.323 3.757 4.170 -0.149 0.000 0.243 1005 I C 2.638 178.559 176.117 -0.328 0.000 1.085 1005 I CA 1.543 62.861 61.300 0.030 0.000 1.347 1005 I CB -0.331 37.707 38.000 0.063 0.000 1.044 1005 I HN 0.121 nan 8.210 nan 0.000 0.408 1006 K N 1.736 121.837 120.400 -0.499 0.000 2.113 1006 K HA -0.212 4.019 4.320 -0.149 0.000 0.208 1006 K C 1.153 177.423 176.600 -0.549 0.000 1.047 1006 K CA 2.227 57.956 56.287 -0.931 0.000 0.928 1006 K CB -0.368 31.806 32.500 -0.544 0.000 0.716 1006 K HN 0.348 nan 8.250 nan 0.000 0.446 1007 N N 0.031 118.554 118.700 -0.295 0.000 2.370 1007 N HA 0.143 4.793 4.740 -0.149 0.000 0.198 1007 N C -0.122 175.302 175.510 -0.143 0.000 1.156 1007 N CA 0.552 53.493 53.050 -0.181 0.000 0.839 1007 N CB 0.860 39.261 38.487 -0.142 0.000 0.989 1007 N HN 0.445 nan 8.380 nan 0.000 0.468 1008 G N 1.023 109.735 108.800 -0.146 0.000 2.338 1008 G HA2 -0.304 3.567 3.960 -0.149 0.000 0.296 1008 G HA3 -0.304 3.567 3.960 -0.149 0.000 0.296 1008 G C 0.566 175.411 174.900 -0.092 0.000 1.040 1008 G CA 0.096 45.168 45.100 -0.046 0.000 1.004 1008 G HN 0.454 nan 8.290 nan 0.000 0.509 1009 E N -1.586 118.471 120.200 -0.238 0.000 2.385 1009 E HA 0.099 4.360 4.350 -0.149 0.000 0.194 1009 E C 0.150 176.493 176.600 -0.430 0.000 1.013 1009 E CA 0.596 56.740 56.400 -0.427 0.000 0.866 1009 E CB 0.396 29.639 29.700 -0.762 0.000 0.832 1009 E HN 0.686 nan 8.360 nan 0.000 0.500 1010 Y N -0.447 119.884 120.300 0.051 0.000 2.562 1010 Y HA 0.151 4.612 4.550 -0.149 0.000 0.343 1010 Y C 1.378 177.356 175.900 0.130 0.000 1.025 1010 Y CA -0.745 57.412 58.100 0.095 0.000 1.082 1010 Y CB 1.647 40.150 38.460 0.072 0.000 1.264 1010 Y HN -0.175 nan 8.280 nan 0.000 0.478 1011 T N -2.951 111.836 114.554 0.387 0.000 2.971 1011 T HA 0.230 4.491 4.350 -0.149 0.000 0.252 1011 T C -0.710 174.242 174.700 0.419 0.000 1.022 1011 T CA 0.103 62.393 62.100 0.316 0.000 0.980 1011 T CB 0.015 68.993 68.868 0.183 0.000 1.044 1011 T HN 0.471 nan 8.240 nan 0.000 0.501 1012 Y N 0.193 120.640 120.300 0.245 0.000 2.552 1012 Y HA 0.670 5.130 4.550 -0.150 0.000 0.337 1012 Y C -2.372 173.545 175.900 0.028 0.000 1.094 1012 Y CA -2.622 55.559 58.100 0.135 0.000 1.028 1012 Y CB 1.452 39.904 38.460 -0.013 0.000 1.321 1012 Y HN 0.127 nan 8.280 nan 0.000 0.456 1013 I N 6.480 126.676 120.570 -0.624 0.000 2.619 1013 I HA 0.488 4.568 4.170 -0.149 0.000 0.292 1013 I C -1.470 174.110 176.117 -0.896 0.000 1.100 1013 I CA -0.855 60.051 61.300 -0.656 0.000 1.043 1013 I CB 2.336 40.128 38.000 -0.347 0.000 1.239 1013 I HN 0.581 nan 8.210 nan 0.000 0.420 1014 I N 6.815 126.971 120.570 -0.690 0.000 2.439 1014 I HA 0.429 4.509 4.170 -0.149 0.000 0.285 1014 I C -1.204 174.763 176.117 -0.250 0.000 1.021 1014 I CA 0.161 61.194 61.300 -0.445 0.000 1.091 1014 I CB 0.999 38.791 38.000 -0.348 0.000 1.242 1014 I HN 0.608 nan 8.210 nan 0.000 0.439 1015 N N 5.688 124.292 118.700 -0.160 0.000 2.519 1015 N HA 0.387 5.037 4.740 -0.149 0.000 0.286 1015 N C -1.360 174.116 175.510 -0.057 0.000 1.079 1015 N CA -0.265 52.715 53.050 -0.117 0.000 0.878 1015 N CB 1.440 39.838 38.487 -0.147 0.000 1.375 1015 N HN 0.681 nan 8.380 nan 0.000 0.514 1016 T N 0.309 114.836 114.554 -0.044 0.000 2.885 1016 T HA 0.665 4.925 4.350 -0.149 0.000 0.285 1016 T C -0.506 174.182 174.700 -0.021 0.000 1.019 1016 T CA -0.363 61.729 62.100 -0.013 0.000 1.010 1016 T CB 1.887 70.760 68.868 0.007 0.000 1.022 1016 T HN 0.265 nan 8.240 nan 0.000 0.466 1017 T N 1.615 116.162 114.554 -0.011 0.000 2.956 1017 T HA 0.625 4.885 4.350 -0.149 0.000 0.312 1017 T C -0.907 173.779 174.700 -0.025 0.000 1.151 1017 T CA -0.781 61.303 62.100 -0.025 0.000 1.024 1017 T CB 1.885 70.736 68.868 -0.029 0.000 1.140 1017 T HN 0.664 nan 8.240 nan 0.000 0.473 1018 S N 1.031 116.686 115.700 -0.075 0.000 2.561 1018 S HA 0.841 5.221 4.470 -0.149 0.000 0.303 1018 S C -0.075 174.375 174.600 -0.250 0.000 1.110 1018 S CA 0.088 58.189 58.200 -0.165 0.000 1.034 1018 S CB 1.133 64.194 63.200 -0.233 0.000 1.010 1018 S HN 1.470 nan 8.310 nan 0.000 0.482 1019 G N 2.871 111.537 108.800 -0.223 0.000 3.055 1019 G HA2 -0.077 3.793 3.960 -0.149 0.000 0.685 1019 G HA3 -0.077 3.793 3.960 -0.149 0.000 0.685 1019 G C -0.009 174.933 174.900 0.070 0.000 1.212 1019 G CA -0.703 44.345 45.100 -0.087 0.000 0.822 1019 G HN 0.603 nan 8.290 nan 0.000 0.610 1020 R N 0.533 121.127 120.500 0.157 0.000 2.117 1020 R HA -0.057 4.194 4.340 -0.149 0.000 0.243 1020 R C 2.666 178.992 176.300 0.043 0.000 1.143 1020 R CA 2.286 58.442 56.100 0.093 0.000 0.968 1020 R CB -0.141 30.216 30.300 0.094 0.000 0.863 1020 R HN 0.517 nan 8.270 nan 0.000 0.444 1021 R N -0.762 119.756 120.500 0.030 0.000 2.055 1021 R HA 0.103 4.353 4.340 -0.149 0.000 0.226 1021 R C 1.992 178.287 176.300 -0.009 0.000 1.135 1021 R CA 1.438 57.541 56.100 0.006 0.000 0.959 1021 R CB -0.720 29.579 30.300 -0.002 0.000 0.854 1021 R HN 0.290 nan 8.270 nan 0.000 0.431 1022 A N 0.967 123.773 122.820 -0.023 0.000 1.978 1022 A HA -0.149 4.082 4.320 -0.149 0.000 0.220 1022 A C 2.287 179.856 177.584 -0.026 0.000 1.170 1022 A CA 1.318 53.336 52.037 -0.031 0.000 0.636 1022 A CB -0.506 18.463 19.000 -0.053 0.000 0.810 1022 A HN 0.274 nan 8.150 nan 0.000 0.448 1023 I N -1.000 119.559 120.570 -0.017 0.000 2.163 1023 I HA -0.223 3.858 4.170 -0.149 0.000 0.240 1023 I C 2.510 178.614 176.117 -0.022 0.000 1.081 1023 I CA 1.589 62.879 61.300 -0.017 0.000 1.353 1023 I CB -0.369 37.631 38.000 0.001 0.000 1.054 1023 I HN 0.357 nan 8.210 nan 0.000 0.407 1024 E N 0.756 120.949 120.200 -0.011 0.000 2.118 1024 E HA -0.254 4.006 4.350 -0.149 0.000 0.195 1024 E C 1.628 178.216 176.600 -0.020 0.000 0.992 1024 E CA 1.599 57.991 56.400 -0.014 0.000 0.804 1024 E CB -0.008 29.689 29.700 -0.005 0.000 0.741 1024 E HN 0.438 nan 8.360 nan 0.000 0.458 1025 D N -0.596 119.795 120.400 -0.015 0.000 2.178 1025 D HA -0.117 4.434 4.640 -0.149 0.000 0.201 1025 D C 1.857 178.143 176.300 -0.023 0.000 0.980 1025 D CA 1.441 55.436 54.000 -0.008 0.000 0.842 1025 D CB -0.108 40.695 40.800 0.005 0.000 0.948 1025 D HN 0.132 nan 8.370 nan 0.000 0.472 1026 S N -0.233 115.442 115.700 -0.041 0.000 2.548 1026 S HA 0.017 4.397 4.470 -0.149 0.000 0.215 1026 S C 1.716 176.262 174.600 -0.090 0.000 0.976 1026 S CA -0.202 57.958 58.200 -0.067 0.000 0.908 1026 S CB 0.055 63.213 63.200 -0.070 0.000 0.781 1026 S HN 0.186 nan 8.310 nan 0.000 0.519 1027 R N 2.016 122.470 120.500 -0.077 0.000 2.165 1027 R HA -0.186 4.064 4.340 -0.149 0.000 0.254 1027 R C 2.154 178.390 176.300 -0.107 0.000 1.153 1027 R CA 2.172 58.219 56.100 -0.089 0.000 0.971 1027 R CB -0.984 29.279 30.300 -0.062 0.000 0.878 1027 R HN 0.483 nan 8.270 nan 0.000 0.449 1028 V N -0.473 119.385 119.914 -0.094 0.000 2.759 1028 V HA -0.118 3.913 4.120 -0.149 0.000 0.256 1028 V C 1.993 178.018 176.094 -0.115 0.000 1.080 1028 V CA 1.596 63.840 62.300 -0.093 0.000 1.101 1028 V CB -0.334 31.432 31.823 -0.095 0.000 0.698 1028 V HN 0.360 nan 8.190 nan 0.000 0.477 1029 I N 0.682 121.166 120.570 -0.144 0.000 2.133 1029 I HA -0.155 3.925 4.170 -0.149 0.000 0.238 1029 I C 3.025 178.991 176.117 -0.252 0.000 1.074 1029 I CA 2.097 63.293 61.300 -0.174 0.000 1.342 1029 I CB -0.514 37.377 38.000 -0.180 0.000 1.053 1029 I HN 0.238 nan 8.210 nan 0.000 0.404 1030 R N 0.926 121.227 120.500 -0.331 0.000 2.091 1030 R HA -0.142 4.108 4.340 -0.149 0.000 0.238 1030 R C 2.393 178.447 176.300 -0.410 0.000 1.136 1030 R CA 1.233 57.003 56.100 -0.550 0.000 0.959 1030 R CB -0.577 29.427 30.300 -0.493 0.000 0.856 1030 R HN 0.397 nan 8.270 nan 0.000 0.437 1031 R N 0.498 120.865 120.500 -0.222 0.000 2.096 1031 R HA -0.035 4.215 4.340 -0.149 0.000 0.235 1031 R C 2.478 178.742 176.300 -0.061 0.000 1.127 1031 R CA 1.361 57.386 56.100 -0.124 0.000 0.968 1031 R CB -0.312 29.945 30.300 -0.073 0.000 0.861 1031 R HN 0.144 nan 8.270 nan 0.000 0.440 1032 S N 0.746 116.428 115.700 -0.030 0.000 2.348 1032 S HA -0.130 4.250 4.470 -0.149 0.000 0.221 1032 S C 2.099 176.816 174.600 0.195 0.000 1.033 1032 S CA 1.330 59.610 58.200 0.133 0.000 1.010 1032 S CB -0.160 63.090 63.200 0.083 0.000 0.891 1032 S HN 0.494 nan 8.310 nan 0.000 0.442 1033 A N 1.174 123.989 122.820 -0.009 0.000 1.902 1033 A HA -0.073 4.158 4.320 -0.149 0.000 0.217 1033 A C 2.107 179.753 177.584 0.104 0.000 1.181 1033 A CA 1.531 53.582 52.037 0.023 0.000 0.623 1033 A CB -0.802 18.092 19.000 -0.176 0.000 0.818 1033 A HN 0.446 nan 8.150 nan 0.000 0.443 1034 L N -0.058 121.174 121.223 0.014 0.000 1.970 1034 L HA -0.236 4.015 4.340 -0.149 0.000 0.212 1034 L C 2.539 179.443 176.870 0.056 0.000 1.071 1034 L CA 2.798 57.727 54.840 0.149 0.000 0.751 1034 L CB -0.931 41.200 42.059 0.121 0.000 0.889 1034 L HN 0.611 nan 8.230 nan 0.000 0.432 1035 Q N -1.798 117.979 119.800 -0.038 0.000 2.181 1035 Q HA -0.257 3.993 4.340 -0.149 0.000 0.205 1035 Q C 1.637 177.360 176.000 -0.461 0.000 0.980 1035 Q CA 2.046 57.708 55.803 -0.235 0.000 0.862 1035 Q CB -0.208 28.348 28.738 -0.304 0.000 0.905 1035 Q HN 0.700 nan 8.270 nan 0.000 0.429 1036 Y N 0.066 120.397 120.300 0.051 0.000 2.457 1036 Y HA 0.135 4.596 4.550 -0.149 0.000 0.263 1036 Y C 0.109 176.060 175.900 0.085 0.000 1.164 1036 Y CA 0.080 58.217 58.100 0.063 0.000 1.274 1036 Y CB 0.822 39.321 38.460 0.065 0.000 1.097 1036 Y HN -0.032 nan 8.280 nan 0.000 0.523 1037 K N -0.884 119.611 120.400 0.159 0.000 3.251 1037 K HA -0.137 4.094 4.320 -0.149 0.000 0.282 1037 K C -0.787 175.940 176.600 0.213 0.000 1.201 1037 K CA 0.332 56.717 56.287 0.163 0.000 0.827 1037 K CB -2.487 30.085 32.500 0.120 0.000 1.286 1037 K HN 0.085 nan 8.250 nan 0.000 0.503 1038 V N 1.475 121.541 119.914 0.253 0.000 2.439 1038 V HA 0.128 4.159 4.120 -0.149 0.000 0.282 1038 V C 0.745 177.021 176.094 0.304 0.000 1.039 1038 V CA -0.672 61.790 62.300 0.270 0.000 0.913 1038 V CB 1.187 33.164 31.823 0.256 0.000 0.983 1038 V HN 0.351 nan 8.190 nan 0.000 0.460 1039 H N 5.175 124.387 119.070 0.237 0.000 2.928 1039 H HA 0.342 4.810 4.556 -0.148 0.000 0.338 1039 H C -0.698 174.798 175.328 0.279 0.000 1.047 1039 H CA 0.198 56.377 56.048 0.218 0.000 1.435 1039 H CB 0.276 30.158 29.762 0.200 0.000 1.428 1039 H HN 0.660 nan 8.280 nan 0.000 0.590 1040 Y N 1.490 121.426 120.300 -0.605 0.000 2.524 1040 Y HA 0.470 4.928 4.550 -0.154 0.000 0.347 1040 Y C -1.467 174.230 175.900 -0.339 0.000 1.005 1040 Y CA -1.374 56.498 58.100 -0.381 0.000 1.025 1040 Y CB 1.392 39.703 38.460 -0.249 0.000 1.275 1040 Y HN 0.456 nan 8.280 nan 0.000 0.460 1041 D N 1.307 121.679 120.400 -0.048 0.000 2.342 1041 D HA 0.287 4.837 4.640 -0.149 0.000 0.243 1041 D C 0.203 176.553 176.300 0.083 0.000 1.019 1041 D CA -0.336 53.685 54.000 0.035 0.000 0.864 1041 D CB 2.241 43.155 40.800 0.189 0.000 1.315 1041 D HN 0.829 nan 8.370 nan 0.000 0.468 1042 T N -2.992 111.624 114.554 0.102 0.000 3.085 1042 T HA 0.166 4.426 4.350 -0.149 0.000 0.264 1042 T C 0.575 175.327 174.700 0.086 0.000 1.019 1042 T CA -0.177 61.987 62.100 0.107 0.000 0.910 1042 T CB -0.015 68.942 68.868 0.148 0.000 1.059 1042 T HN 0.421 nan 8.240 nan 0.000 0.542 1043 T N -0.876 113.733 114.554 0.092 0.000 2.900 1043 T HA 0.637 4.898 4.350 -0.149 0.000 0.295 1043 T C 0.484 175.240 174.700 0.095 0.000 1.044 1043 T CA -0.885 61.276 62.100 0.102 0.000 0.995 1043 T CB 1.882 70.827 68.868 0.130 0.000 1.072 1043 T HN -0.067 nan 8.240 nan 0.000 0.473 1044 L N 1.988 123.271 121.223 0.100 0.000 2.131 1044 L HA 0.174 4.425 4.340 -0.149 0.000 0.206 1044 L C 2.156 179.141 176.870 0.192 0.000 1.087 1044 L CA 1.493 56.391 54.840 0.096 0.000 0.767 1044 L CB -0.830 41.304 42.059 0.125 0.000 0.917 1044 L HN 0.694 nan 8.230 nan 0.000 0.441 1045 N N -0.085 118.744 118.700 0.214 0.000 2.120 1045 N HA -0.129 4.521 4.740 -0.149 0.000 0.188 1045 N C 1.795 177.415 175.510 0.184 0.000 1.024 1045 N CA 1.388 54.582 53.050 0.240 0.000 0.852 1045 N CB -0.772 37.832 38.487 0.194 0.000 1.003 1045 N HN 0.460 nan 8.380 nan 0.000 0.424 1046 G N 0.042 108.933 108.800 0.153 0.000 2.418 1046 G HA2 -0.183 3.688 3.960 -0.149 0.000 0.217 1046 G HA3 -0.183 3.688 3.960 -0.149 0.000 0.217 1046 G C 1.609 176.580 174.900 0.118 0.000 1.158 1046 G CA 1.122 46.309 45.100 0.144 0.000 0.771 1046 G HN 0.438 nan 8.290 nan 0.000 0.545 1047 G N 0.207 109.070 108.800 0.105 0.000 2.418 1047 G HA2 -0.120 3.750 3.960 -0.149 0.000 0.217 1047 G HA3 -0.120 3.750 3.960 -0.149 0.000 0.217 1047 G C 1.588 176.437 174.900 -0.085 0.000 1.158 1047 G CA 0.658 45.795 45.100 0.063 0.000 0.771 1047 G HN 0.302 nan 8.290 nan 0.000 0.545 1048 F N 1.875 121.830 119.950 0.007 0.000 2.095 1048 F HA -0.007 4.429 4.527 -0.150 0.000 0.298 1048 F C 3.029 178.770 175.800 -0.098 0.000 1.104 1048 F CA 0.962 58.941 58.000 -0.034 0.000 1.232 1048 F CB -0.552 38.437 39.000 -0.018 0.000 0.987 1048 F HN 0.246 nan 8.300 nan 0.000 0.475 1049 A N -0.802 121.999 122.820 -0.032 0.000 1.877 1049 A HA -0.195 4.036 4.320 -0.149 0.000 0.216 1049 A C 2.262 179.659 177.584 -0.312 0.000 1.186 1049 A CA 2.309 54.107 52.037 -0.399 0.000 0.620 1049 A CB -1.373 16.852 19.000 -1.292 0.000 0.822 1049 A HN 0.344 nan 8.150 nan 0.000 0.443 1050 T N 0.219 114.694 114.554 -0.132 0.000 2.699 1050 T HA -0.103 4.157 4.350 -0.149 0.000 0.268 1050 T C 2.152 176.766 174.700 -0.143 0.000 1.036 1050 T CA 1.770 63.843 62.100 -0.045 0.000 1.147 1050 T CB -0.423 68.377 68.868 -0.113 0.000 0.862 1050 T HN 0.615 nan 8.240 nan 0.000 0.446 1051 A N 1.263 123.992 122.820 -0.153 0.000 1.898 1051 A HA -0.015 4.215 4.320 -0.149 0.000 0.216 1051 A C 2.343 179.915 177.584 -0.020 0.000 1.181 1051 A CA 1.402 53.364 52.037 -0.124 0.000 0.620 1051 A CB -0.610 18.328 19.000 -0.102 0.000 0.819 1051 A HN 0.463 nan 8.150 nan 0.000 0.442 1052 M N -0.298 119.322 119.600 0.033 0.000 2.080 1052 M HA -0.200 4.190 4.480 -0.149 0.000 0.260 1052 M C 2.477 178.805 176.300 0.047 0.000 1.068 1052 M CA 1.623 56.964 55.300 0.069 0.000 1.109 1052 M CB -0.626 32.056 32.600 0.136 0.000 1.342 1052 M HN 0.460 nan 8.290 nan 0.000 0.405 1053 A N 0.397 123.239 122.820 0.036 0.000 2.076 1053 A HA -0.117 4.114 4.320 -0.149 0.000 0.220 1053 A C 2.048 179.633 177.584 0.002 0.000 1.160 1053 A CA 1.307 53.366 52.037 0.036 0.000 0.653 1053 A CB -0.955 18.108 19.000 0.106 0.000 0.801 1053 A HN 0.467 nan 8.150 nan 0.000 0.455 1054 L N -0.723 120.495 121.223 -0.009 0.000 2.362 1054 L HA -0.155 4.096 4.340 -0.149 0.000 0.219 1054 L C 2.060 178.942 176.870 0.020 0.000 1.134 1054 L CA 1.250 56.091 54.840 0.002 0.000 0.807 1054 L CB -0.479 41.588 42.059 0.014 0.000 0.927 1054 L HN 0.464 nan 8.230 nan 0.000 0.447 1055 N N -0.501 118.213 118.700 0.024 0.000 2.216 1055 N HA 0.015 4.665 4.740 -0.149 0.000 0.183 1055 N C 0.894 176.415 175.510 0.018 0.000 1.017 1055 N CA 0.507 53.575 53.050 0.029 0.000 0.861 1055 N CB 0.074 38.585 38.487 0.039 0.000 0.986 1055 N HN 0.303 nan 8.380 nan 0.000 0.428 1056 A N 0.329 123.154 122.820 0.009 0.000 2.246 1056 A HA 0.313 4.544 4.320 -0.149 0.000 0.291 1056 A C -0.625 176.944 177.584 -0.025 0.000 1.103 1056 A CA -0.171 51.863 52.037 -0.005 0.000 0.844 1056 A CB 0.563 19.558 19.000 -0.009 0.000 1.136 1056 A HN 0.102 nan 8.150 nan 0.000 0.500 1057 D N -0.933 119.444 120.400 -0.039 0.000 2.389 1057 D HA 0.504 5.054 4.640 -0.149 0.000 0.256 1057 D C 0.711 176.959 176.300 -0.086 0.000 1.239 1057 D CA 0.235 54.196 54.000 -0.065 0.000 0.925 1057 D CB 1.062 41.828 40.800 -0.056 0.000 1.145 1057 D HN 0.497 nan 8.370 nan 0.000 0.542 1058 A N 2.530 125.282 122.820 -0.114 0.000 2.084 1058 A HA -0.143 4.088 4.320 -0.149 0.000 0.221 1058 A C 1.752 179.249 177.584 -0.144 0.000 1.161 1058 A CA 2.066 54.025 52.037 -0.131 0.000 0.653 1058 A CB -0.462 18.442 19.000 -0.160 0.000 0.802 1058 A HN 0.554 nan 8.150 nan 0.000 0.457 1059 T N -3.492 110.964 114.554 -0.163 0.000 3.145 1059 T HA 0.226 4.486 4.350 -0.149 0.000 0.255 1059 T C 1.181 175.804 174.700 -0.128 0.000 1.039 1059 T CA 0.602 62.597 62.100 -0.175 0.000 0.928 1059 T CB 0.131 68.857 68.868 -0.237 0.000 1.029 1059 T HN 0.549 nan 8.240 nan 0.000 0.554 1060 E N 1.528 121.672 120.200 -0.093 0.000 2.021 1060 E HA 0.048 4.309 4.350 -0.149 0.000 0.189 1060 E C 0.706 177.274 176.600 -0.054 0.000 0.980 1060 E CA 0.608 56.970 56.400 -0.064 0.000 0.803 1060 E CB 0.247 29.921 29.700 -0.043 0.000 0.766 1060 E HN 0.609 nan 8.360 nan 0.000 0.449 1061 K N 0.514 120.887 120.400 -0.045 0.000 2.378 1061 K HA 0.341 4.571 4.320 -0.149 0.000 0.252 1061 K C -0.995 175.587 176.600 -0.030 0.000 0.931 1061 K CA -0.734 55.536 56.287 -0.028 0.000 0.794 1061 K CB 2.157 34.655 32.500 -0.003 0.000 1.181 1061 K HN -0.006 nan 8.250 nan 0.000 0.425 1062 V N 2.159 122.061 119.914 -0.021 0.000 2.628 1062 V HA 0.709 4.739 4.120 -0.149 0.000 0.306 1062 V C -0.563 175.619 176.094 0.148 0.000 1.045 1062 V CA -0.806 61.505 62.300 0.018 0.000 0.905 1062 V CB 1.373 33.117 31.823 -0.133 0.000 0.997 1062 V HN 0.923 nan 8.190 nan 0.000 0.436 1063 I N 3.507 124.211 120.570 0.224 0.000 2.686 1063 I HA 0.665 4.745 4.170 -0.149 0.000 0.295 1063 I C 0.186 176.298 176.117 -0.008 0.000 1.114 1063 I CA -0.267 61.112 61.300 0.132 0.000 1.038 1063 I CB 2.579 40.573 38.000 -0.010 0.000 1.238 1063 I HN 1.082 nan 8.210 nan 0.000 0.420 1064 S N 4.779 120.316 115.700 -0.273 0.000 2.632 1064 S HA 0.298 4.678 4.470 -0.149 0.000 0.271 1064 S C 0.938 175.305 174.600 -0.389 0.000 1.260 1064 S CA -0.621 57.175 58.200 -0.673 0.000 1.010 1064 S CB 1.843 64.628 63.200 -0.692 0.000 0.965 1064 S HN 0.483 nan 8.310 nan 0.000 0.534 1065 V N 2.330 121.999 119.914 -0.408 0.000 2.407 1065 V HA -0.174 3.856 4.120 -0.149 0.000 0.248 1065 V C 2.735 178.602 176.094 -0.378 0.000 1.055 1065 V CA 2.101 64.176 62.300 -0.374 0.000 1.049 1065 V CB -1.405 30.184 31.823 -0.390 0.000 0.662 1065 V HN 0.852 nan 8.190 nan 0.000 0.455 1066 Q N 0.339 119.960 119.800 -0.298 0.000 2.077 1066 Q HA -0.238 4.012 4.340 -0.149 0.000 0.206 1066 Q C 2.217 178.167 176.000 -0.084 0.000 0.989 1066 Q CA 2.186 57.879 55.803 -0.185 0.000 0.853 1066 Q CB -0.365 28.286 28.738 -0.146 0.000 0.907 1066 Q HN 0.722 nan 8.270 nan 0.000 0.418 1067 E N -0.223 119.923 120.200 -0.091 0.000 2.051 1067 E HA -0.177 4.083 4.350 -0.149 0.000 0.192 1067 E C 2.012 178.637 176.600 0.041 0.000 0.991 1067 E CA 1.296 57.681 56.400 -0.024 0.000 0.799 1067 E CB -0.190 29.484 29.700 -0.042 0.000 0.748 1067 E HN 0.370 nan 8.360 nan 0.000 0.449 1068 M N 0.172 119.780 119.600 0.014 0.000 2.082 1068 M HA -0.224 4.167 4.480 -0.149 0.000 0.258 1068 M C 2.130 178.652 176.300 0.371 0.000 1.069 1068 M CA 1.686 57.064 55.300 0.130 0.000 1.102 1068 M CB -0.638 31.926 32.600 -0.061 0.000 1.336 1068 M HN 0.262 nan 8.290 nan 0.000 0.404 1069 H N -0.693 118.413 119.070 0.061 0.000 2.491 1069 H HA 0.008 4.474 4.556 -0.150 0.000 0.290 1069 H C 2.159 177.514 175.328 0.045 0.000 1.050 1069 H CA 0.706 56.792 56.048 0.063 0.000 1.309 1069 H CB 0.065 29.842 29.762 0.025 0.000 1.392 1069 H HN 0.467 nan 8.280 nan 0.000 0.554 1070 A N 1.047 123.963 122.820 0.160 0.000 2.014 1070 A HA -0.138 4.092 4.320 -0.149 0.000 0.218 1070 A C 2.132 179.759 177.584 0.072 0.000 1.163 1070 A CA 0.880 52.970 52.037 0.088 0.000 0.652 1070 A CB -0.147 18.888 19.000 0.058 0.000 0.808 1070 A HN 0.432 nan 8.150 nan 0.000 0.449 1071 Q N -0.390 119.470 119.800 0.100 0.000 2.435 1071 Q HA 0.145 4.396 4.340 -0.149 0.000 0.207 1071 Q C -0.134 175.880 176.000 0.025 0.000 0.956 1071 Q CA 0.105 55.953 55.803 0.075 0.000 0.917 1071 Q CB -0.075 28.739 28.738 0.126 0.000 0.997 1071 Q HN 0.656 nan 8.270 nan 0.000 0.497 1072 I N 1.679 122.257 120.570 0.014 0.000 2.496 1072 I HA 0.056 4.137 4.170 -0.149 0.000 0.285 1072 I C 0.197 176.292 176.117 -0.037 0.000 1.080 1072 I CA -0.129 61.141 61.300 -0.049 0.000 1.404 1072 I CB 0.607 38.552 38.000 -0.091 0.000 1.403 1072 I HN -0.137 nan 8.210 nan 0.000 0.539 1073 K N 0.000 120.369 120.400 -0.052 0.000 2.780 1073 K HA 0.000 4.230 4.320 -0.149 0.000 0.191 1073 K CA 0.000 56.264 56.287 -0.039 0.000 0.838 1073 K CB 0.000 32.479 32.500 -0.036 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543