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 1ce8_1_G DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVINVNSN 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 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.319 55.300 0.031 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 P HA 0.228 nan 4.420 nan 0.000 0.318 2 P C -1.020 176.106 177.300 -0.290 0.000 1.309 2 P CA -0.194 62.867 63.100 -0.065 0.000 0.736 2 P CB 0.012 31.704 31.700 -0.012 0.000 1.440 3 K N 0.127 120.237 120.400 -0.483 0.000 2.270 3 K HA 0.201 4.410 4.320 -0.186 0.000 0.276 3 K C 0.108 176.640 176.600 -0.113 0.000 1.023 3 K CA -0.424 55.590 56.287 -0.454 0.000 0.955 3 K CB 0.513 32.749 32.500 -0.441 0.000 0.975 3 K HN 0.172 nan 8.250 nan 0.000 0.471 4 R N 1.679 122.172 120.500 -0.013 0.000 2.523 4 R HA -0.090 4.138 4.340 -0.186 0.000 0.281 4 R C 0.762 177.121 176.300 0.099 0.000 0.969 4 R CA 0.518 56.652 56.100 0.056 0.000 1.093 4 R CB 0.456 30.788 30.300 0.053 0.000 0.917 4 R HN 0.856 nan 8.270 nan 0.000 0.408 5 T N 0.872 115.451 114.554 0.042 0.000 3.004 5 T HA -0.081 4.157 4.350 -0.186 0.000 0.243 5 T C 1.036 175.759 174.700 0.038 0.000 1.020 5 T CA 0.935 63.048 62.100 0.022 0.000 1.145 5 T CB 0.037 68.906 68.868 0.001 0.000 0.876 5 T HN 0.758 nan 8.240 nan 0.000 0.449 6 D N 0.652 121.075 120.400 0.039 0.000 2.389 6 D HA -0.031 4.497 4.640 -0.186 0.000 0.221 6 D C 0.507 176.843 176.300 0.060 0.000 0.974 6 D CA 0.545 54.569 54.000 0.039 0.000 0.923 6 D CB -0.436 40.381 40.800 0.029 0.000 0.892 6 D HN 0.434 nan 8.370 nan 0.000 0.518 7 I N -0.166 120.464 120.570 0.101 0.000 2.389 7 I HA 0.231 4.290 4.170 -0.186 0.000 0.288 7 I C 0.628 176.884 176.117 0.232 0.000 0.999 7 I CA -0.679 60.708 61.300 0.144 0.000 1.129 7 I CB 2.009 40.086 38.000 0.129 0.000 1.288 7 I HN -0.266 nan 8.210 nan 0.000 0.444 8 K N 2.540 123.041 120.400 0.167 0.000 2.462 8 K HA 0.152 4.360 4.320 -0.186 0.000 0.201 8 K C 0.247 176.957 176.600 0.183 0.000 1.268 8 K CA 0.108 56.491 56.287 0.159 0.000 0.933 8 K CB 0.646 33.179 32.500 0.054 0.000 1.162 8 K HN 0.593 nan 8.250 nan 0.000 0.527 9 S N 0.918 116.696 115.700 0.130 0.000 2.473 9 S HA 0.646 5.005 4.470 -0.186 0.000 0.307 9 S C -0.434 174.215 174.600 0.083 0.000 1.094 9 S CA -0.845 57.418 58.200 0.105 0.000 1.070 9 S CB 1.121 64.362 63.200 0.068 0.000 1.019 9 S HN 0.080 nan 8.310 nan 0.000 0.480 10 I N 2.876 123.490 120.570 0.074 0.000 2.465 10 I HA 0.419 4.477 4.170 -0.186 0.000 0.291 10 I C -0.919 175.215 176.117 0.029 0.000 1.014 10 I CA -0.848 60.471 61.300 0.031 0.000 1.093 10 I CB 1.962 39.956 38.000 -0.009 0.000 1.267 10 I HN 0.657 nan 8.210 nan 0.000 0.431 11 L N 8.081 129.314 121.223 0.016 0.000 2.282 11 L HA 0.601 4.829 4.340 -0.186 0.000 0.288 11 L C -0.860 176.017 176.870 0.012 0.000 1.033 11 L CA 0.118 54.967 54.840 0.016 0.000 0.807 11 L CB 0.669 42.728 42.059 -0.001 0.000 1.209 11 L HN 0.409 nan 8.230 nan 0.000 0.423 12 I N 6.378 126.961 120.570 0.021 0.000 2.339 12 I HA 0.271 4.329 4.170 -0.186 0.000 0.290 12 I C -0.571 175.558 176.117 0.019 0.000 0.994 12 I CA -0.609 60.702 61.300 0.018 0.000 1.191 12 I CB 1.309 39.322 38.000 0.022 0.000 1.343 12 I HN 0.491 nan 8.210 nan 0.000 0.458 13 L N 6.266 127.495 121.223 0.009 0.000 2.315 13 L HA 0.398 4.626 4.340 -0.186 0.000 0.283 13 L C 0.994 177.864 176.870 0.000 0.000 1.089 13 L CA -0.274 54.567 54.840 0.002 0.000 0.833 13 L CB 0.551 42.604 42.059 -0.010 0.000 1.170 13 L HN 0.672 nan 8.230 nan 0.000 0.442 14 G N 1.617 110.423 108.800 0.010 0.000 2.537 14 G HA2 0.397 4.245 3.960 -0.186 0.000 0.273 14 G HA3 0.397 4.245 3.960 -0.186 0.000 0.273 14 G C 0.789 175.680 174.900 -0.015 0.000 1.189 14 G CA 0.095 45.206 45.100 0.018 0.000 0.881 14 G HN 0.793 nan 8.290 nan 0.000 0.535 15 A N -0.163 122.651 122.820 -0.011 0.000 2.016 15 A HA 0.516 4.724 4.320 -0.186 0.000 0.217 15 A C 1.698 179.262 177.584 -0.034 0.000 1.162 15 A CA 1.754 53.748 52.037 -0.071 0.000 0.662 15 A CB -0.885 18.100 19.000 -0.024 0.000 0.812 15 A HN 2.558 nan 8.150 nan 0.000 0.450 16 G N -1.246 107.555 108.800 0.002 0.000 2.587 16 G HA2 -0.057 3.791 3.960 -0.186 0.000 0.212 16 G HA3 -0.057 3.791 3.960 -0.186 0.000 0.212 16 G C -3.009 171.893 174.900 0.004 0.000 1.327 16 G CA -0.430 44.667 45.100 -0.003 0.000 0.898 16 G HN 0.395 nan 8.290 nan 0.000 0.551 17 P HA 0.348 nan 4.420 nan 0.000 0.269 17 P C 0.385 177.682 177.300 -0.005 0.000 1.209 17 P CA -0.146 62.943 63.100 -0.019 0.000 0.776 17 P CB 0.345 32.020 31.700 -0.040 0.000 0.876 18 I N 2.906 123.475 120.570 -0.002 0.000 2.533 18 I HA 0.081 4.140 4.170 -0.186 0.000 0.284 18 I C 0.954 177.064 176.117 -0.012 0.000 1.109 18 I CA 0.149 61.456 61.300 0.011 0.000 1.412 18 I CB 0.203 38.209 38.000 0.010 0.000 1.396 18 I HN 0.212 nan 8.210 nan 0.000 0.543 19 V N 5.104 125.013 119.914 -0.008 0.000 3.160 19 V HA 0.561 4.570 4.120 -0.186 0.000 0.310 19 V C -0.066 176.000 176.094 -0.046 0.000 1.181 19 V CA -1.189 61.086 62.300 -0.041 0.000 1.047 19 V CB 2.085 33.874 31.823 -0.056 0.000 1.068 19 V HN 0.439 nan 8.190 nan 0.000 0.441 20 I N 2.197 122.714 120.570 -0.090 0.000 2.668 20 I HA 0.448 4.506 4.170 -0.186 0.000 0.285 20 I C 1.518 177.579 176.117 -0.094 0.000 1.168 20 I CA 1.925 63.161 61.300 -0.105 0.000 1.424 20 I CB 0.634 38.529 38.000 -0.175 0.000 1.377 20 I HN 1.262 nan 8.210 nan 0.000 0.560 21 G N 4.742 113.504 108.800 -0.065 0.000 2.241 21 G HA2 -0.282 3.566 3.960 -0.186 0.000 0.244 21 G HA3 -0.282 3.566 3.960 -0.186 0.000 0.244 21 G C 0.296 175.229 174.900 0.055 0.000 0.998 21 G CA 0.049 45.122 45.100 -0.044 0.000 0.621 21 G HN 0.594 nan 8.290 nan 0.000 0.519 22 Q N 0.054 119.903 119.800 0.081 0.000 3.147 22 Q HA 0.662 4.890 4.340 -0.186 0.000 0.224 22 Q C 0.147 176.268 176.000 0.201 0.000 0.901 22 Q CA 0.399 56.329 55.803 0.212 0.000 0.729 22 Q CB 0.732 29.521 28.738 0.087 0.000 1.363 22 Q HN 0.860 nan 8.270 nan 0.000 0.467 23 A N 0.267 123.207 122.820 0.199 0.000 3.687 23 A HA 0.375 4.583 4.320 -0.186 0.000 0.164 23 A C 1.107 178.747 177.584 0.093 0.000 1.564 23 A CA -0.142 51.956 52.037 0.102 0.000 0.896 23 A CB -0.334 18.677 19.000 0.019 0.000 1.731 23 A HN 0.815 nan 8.150 nan 0.000 0.607 24 C N 1.063 120.376 119.300 0.021 0.000 2.410 24 C HA -0.092 4.257 4.460 -0.186 0.000 0.281 24 C C 2.524 177.505 174.990 -0.014 0.000 1.318 24 C CA 1.036 60.068 59.018 0.023 0.000 1.776 24 C CB -1.544 26.206 27.740 0.018 0.000 1.942 24 C HN 0.862 nan 8.230 nan 0.000 0.508 25 E N 1.547 121.644 120.200 -0.173 0.000 2.187 25 E HA -0.251 3.987 4.350 -0.186 0.000 0.199 25 E C 1.404 177.806 176.600 -0.329 0.000 1.004 25 E CA 1.697 57.909 56.400 -0.312 0.000 0.813 25 E CB -0.781 28.546 29.700 -0.622 0.000 0.736 25 E HN 0.659 nan 8.360 nan 0.000 0.468 26 F N 1.423 121.439 119.950 0.109 0.000 2.661 26 F HA 0.066 4.480 4.527 -0.188 0.000 0.298 26 F C 1.997 177.840 175.800 0.072 0.000 1.137 26 F CA 0.893 58.940 58.000 0.079 0.000 1.454 26 F CB -0.212 38.816 39.000 0.047 0.000 1.103 26 F HN 0.042 nan 8.300 nan 0.000 0.577 27 D N -0.965 119.543 120.400 0.180 0.000 2.201 27 D HA -0.182 4.346 4.640 -0.186 0.000 0.209 27 D C 2.182 178.557 176.300 0.124 0.000 0.961 27 D CA 0.762 54.848 54.000 0.145 0.000 0.861 27 D CB -0.322 40.558 40.800 0.133 0.000 0.997 27 D HN 0.232 nan 8.370 nan 0.000 0.486 28 Y N 1.145 121.448 120.300 0.005 0.000 2.081 28 Y HA -0.214 4.224 4.550 -0.186 0.000 0.280 28 Y C 2.248 178.145 175.900 -0.004 0.000 1.163 28 Y CA 2.311 60.401 58.100 -0.017 0.000 1.135 28 Y CB -0.630 37.804 38.460 -0.044 0.000 0.970 28 Y HN -0.070 nan 8.280 nan 0.000 0.498 29 S N 0.220 115.814 115.700 -0.177 0.000 2.355 29 S HA -0.095 4.263 4.470 -0.186 0.000 0.222 29 S C 2.252 176.793 174.600 -0.098 0.000 1.031 29 S CA 1.124 59.194 58.200 -0.216 0.000 0.993 29 S CB -1.202 62.013 63.200 0.026 0.000 0.859 29 S HN 0.735 nan 8.310 nan 0.000 0.453 30 G N 1.495 110.307 108.800 0.020 0.000 2.442 30 G HA2 -0.087 3.761 3.960 -0.186 0.000 0.219 30 G HA3 -0.087 3.761 3.960 -0.186 0.000 0.219 30 G C 1.548 176.441 174.900 -0.010 0.000 1.141 30 G CA 0.996 46.115 45.100 0.033 0.000 0.763 30 G HN 0.568 nan 8.290 nan 0.000 0.554 31 A N 0.508 123.309 122.820 -0.033 0.000 1.858 31 A HA -0.125 4.083 4.320 -0.186 0.000 0.216 31 A C 2.328 179.859 177.584 -0.089 0.000 1.190 31 A CA 1.980 53.991 52.037 -0.045 0.000 0.617 31 A CB -0.573 18.408 19.000 -0.032 0.000 0.827 31 A HN 0.437 nan 8.150 nan 0.000 0.443 32 Q N -0.725 118.965 119.800 -0.183 0.000 2.112 32 Q HA -0.216 4.012 4.340 -0.186 0.000 0.206 32 Q C 2.453 178.394 176.000 -0.099 0.000 0.987 32 Q CA 1.623 57.310 55.803 -0.193 0.000 0.858 32 Q CB -0.434 28.106 28.738 -0.331 0.000 0.905 32 Q HN 0.705 nan 8.270 nan 0.000 0.420 33 A N 0.376 123.154 122.820 -0.071 0.000 1.877 33 A HA -0.201 4.008 4.320 -0.186 0.000 0.216 33 A C 2.400 179.979 177.584 -0.008 0.000 1.186 33 A CA 1.374 53.395 52.037 -0.027 0.000 0.620 33 A CB -1.050 17.943 19.000 -0.011 0.000 0.822 33 A HN 0.501 nan 8.150 nan 0.000 0.443 34 C N -0.579 118.718 119.300 -0.006 0.000 2.388 34 C HA -0.145 4.203 4.460 -0.186 0.000 0.277 34 C C 2.769 177.769 174.990 0.016 0.000 1.210 34 C CA 1.596 60.621 59.018 0.011 0.000 1.743 34 C CB -1.058 26.688 27.740 0.011 0.000 2.047 34 C HN 0.779 nan 8.230 nan 0.000 0.458 35 K N 1.068 121.467 120.400 -0.002 0.000 2.032 35 K HA -0.180 4.028 4.320 -0.186 0.000 0.209 35 K C 2.075 178.683 176.600 0.013 0.000 1.048 35 K CA 1.899 58.185 56.287 -0.002 0.000 0.927 35 K CB -0.382 32.102 32.500 -0.026 0.000 0.712 35 K HN 0.405 nan 8.250 nan 0.000 0.441 36 A N 1.397 124.221 122.820 0.006 0.000 1.865 36 A HA -0.145 4.064 4.320 -0.186 0.000 0.217 36 A C 2.204 179.835 177.584 0.078 0.000 1.191 36 A CA 1.635 53.689 52.037 0.028 0.000 0.623 36 A CB -0.812 18.198 19.000 0.017 0.000 0.826 36 A HN 0.372 nan 8.150 nan 0.000 0.444 37 L N -1.245 120.023 121.223 0.075 0.000 2.127 37 L HA -0.186 4.042 4.340 -0.186 0.000 0.211 37 L C 2.841 179.820 176.870 0.180 0.000 1.089 37 L CA 1.671 56.588 54.840 0.128 0.000 0.757 37 L CB -0.408 41.686 42.059 0.058 0.000 0.899 37 L HN 0.474 nan 8.230 nan 0.000 0.434 38 R N 0.232 120.796 120.500 0.108 0.000 2.073 38 R HA -0.152 4.076 4.340 -0.186 0.000 0.229 38 R C 2.108 178.456 176.300 0.080 0.000 1.120 38 R CA 1.256 57.409 56.100 0.088 0.000 0.967 38 R CB 0.022 30.353 30.300 0.051 0.000 0.862 38 R HN 0.378 nan 8.270 nan 0.000 0.436 39 E N 0.148 120.392 120.200 0.073 0.000 2.058 39 E HA -0.184 4.054 4.350 -0.186 0.000 0.194 39 E C 1.619 178.269 176.600 0.082 0.000 0.997 39 E CA 1.083 57.519 56.400 0.059 0.000 0.801 39 E CB 0.052 29.780 29.700 0.046 0.000 0.746 39 E HN 0.248 nan 8.360 nan 0.000 0.450 40 E N -0.398 119.891 120.200 0.149 0.000 2.472 40 E HA -0.063 4.175 4.350 -0.186 0.000 0.200 40 E C 1.007 177.671 176.600 0.106 0.000 1.046 40 E CA 0.778 57.311 56.400 0.221 0.000 0.871 40 E CB -0.120 29.856 29.700 0.460 0.000 0.806 40 E HN 0.428 nan 8.360 nan 0.000 0.533 41 G N 0.842 109.689 108.800 0.078 0.000 2.221 41 G HA2 -0.317 3.532 3.960 -0.186 0.000 0.265 41 G HA3 -0.317 3.532 3.960 -0.186 0.000 0.265 41 G C -0.200 174.669 174.900 -0.053 0.000 1.041 41 G CA 0.326 45.422 45.100 -0.007 0.000 0.807 41 G HN 0.235 nan 8.290 nan 0.000 0.502 42 Y N -0.775 119.545 120.300 0.033 0.000 2.326 42 Y HA 0.561 5.000 4.550 -0.186 0.000 0.324 42 Y C 1.273 177.186 175.900 0.022 0.000 1.291 42 Y CA -0.700 57.416 58.100 0.027 0.000 1.348 42 Y CB 0.765 39.245 38.460 0.032 0.000 1.294 42 Y HN 0.127 nan 8.280 nan 0.000 0.525 43 R N 1.417 122.015 120.500 0.163 0.000 2.196 43 R HA 0.413 4.642 4.340 -0.186 0.000 0.340 43 R C -1.669 174.692 176.300 0.102 0.000 1.043 43 R CA -0.332 55.827 56.100 0.099 0.000 0.883 43 R CB 0.279 30.620 30.300 0.070 0.000 1.078 43 R HN 0.458 nan 8.270 nan 0.000 0.462 44 V N 7.396 127.359 119.914 0.081 0.000 2.348 44 V HA 0.299 4.308 4.120 -0.186 0.000 0.270 44 V C 0.105 176.233 176.094 0.058 0.000 1.037 44 V CA -0.438 61.902 62.300 0.067 0.000 0.872 44 V CB 1.160 33.019 31.823 0.060 0.000 1.002 44 V HN 0.631 nan 8.190 nan 0.000 0.464 45 I N 6.771 127.383 120.570 0.069 0.000 2.404 45 I HA 0.516 4.575 4.170 -0.186 0.000 0.293 45 I C 0.021 176.196 176.117 0.097 0.000 0.992 45 I CA -0.169 61.193 61.300 0.103 0.000 1.149 45 I CB 1.511 39.582 38.000 0.119 0.000 1.315 45 I HN 0.752 nan 8.210 nan 0.000 0.446 46 N N 5.662 124.436 118.700 0.124 0.000 2.284 46 N HA 0.548 5.176 4.740 -0.186 0.000 0.289 46 N C -1.917 173.674 175.510 0.136 0.000 1.179 46 N CA -0.629 52.480 53.050 0.098 0.000 0.774 46 N CB 2.841 41.364 38.487 0.059 0.000 1.548 46 N HN 0.377 nan 8.380 nan 0.000 0.473 47 V N 1.336 121.302 119.914 0.088 0.000 2.487 47 V HA 0.579 4.587 4.120 -0.186 0.000 0.298 47 V C -1.319 174.807 176.094 0.052 0.000 1.028 47 V CA -0.462 61.889 62.300 0.086 0.000 0.860 47 V CB 1.209 33.060 31.823 0.047 0.000 0.991 47 V HN 0.918 nan 8.190 nan 0.000 0.427 48 N N 3.248 121.979 118.700 0.052 0.000 2.616 48 N HA 0.167 4.796 4.740 -0.186 0.000 0.281 48 N C 0.552 176.077 175.510 0.025 0.000 1.145 48 N CA 0.331 53.402 53.050 0.034 0.000 0.919 48 N CB 2.264 40.776 38.487 0.040 0.000 1.509 48 N HN 0.688 nan 8.380 nan 0.000 0.537 49 S N 1.846 117.553 115.700 0.012 0.000 2.474 49 S HA -0.065 4.293 4.470 -0.186 0.000 0.235 49 S C 0.717 175.314 174.600 -0.005 0.000 0.997 49 S CA 0.386 58.585 58.200 -0.001 0.000 0.949 49 S CB -0.195 62.995 63.200 -0.017 0.000 0.766 49 S HN 0.543 nan 8.310 nan 0.000 0.517 50 N N 3.132 121.833 118.700 0.001 0.000 2.406 50 N HA 0.280 4.908 4.740 -0.186 0.000 0.251 50 N C -1.750 173.757 175.510 -0.006 0.000 1.069 50 N CA -2.444 50.601 53.050 -0.007 0.000 0.947 50 N CB 1.495 39.984 38.487 0.003 0.000 1.111 50 N HN 0.065 nan 8.380 nan 0.000 0.497 51 P HA -0.001 nan 4.420 nan 0.000 0.222 51 P C 0.175 177.387 177.300 -0.146 0.000 1.153 51 P CA 0.569 63.654 63.100 -0.024 0.000 0.798 51 P CB 0.144 31.883 31.700 0.065 0.000 0.796 52 A N 0.457 123.168 122.820 -0.182 0.000 2.728 52 A HA 0.289 4.497 4.320 -0.186 0.000 0.258 52 A C 0.524 178.028 177.584 -0.133 0.000 1.454 52 A CA 0.083 51.902 52.037 -0.364 0.000 1.146 52 A CB -1.455 17.378 19.000 -0.278 0.000 0.985 52 A HN 0.289 nan 8.150 nan 0.000 0.603 53 T N -3.150 111.412 114.554 0.013 0.000 2.885 53 T HA 0.565 4.803 4.350 -0.186 0.000 0.285 53 T C 0.910 175.837 174.700 0.379 0.000 1.019 53 T CA -0.736 61.482 62.100 0.197 0.000 1.010 53 T CB 1.137 70.073 68.868 0.113 0.000 1.022 53 T HN -0.017 nan 8.240 nan 0.000 0.466 54 I N 1.837 122.577 120.570 0.283 0.000 2.406 54 I HA -0.092 3.966 4.170 -0.186 0.000 0.249 54 I C 2.576 178.774 176.117 0.136 0.000 1.122 54 I CA 1.401 62.805 61.300 0.174 0.000 1.431 54 I CB -0.890 37.143 38.000 0.055 0.000 1.087 54 I HN 0.850 nan 8.210 nan 0.000 0.424 55 M N 0.589 120.255 119.600 0.110 0.000 2.446 55 M HA -0.105 4.263 4.480 -0.186 0.000 0.263 55 M C 1.540 177.883 176.300 0.073 0.000 1.066 55 M CA 1.959 57.303 55.300 0.074 0.000 1.087 55 M CB -1.051 31.586 32.600 0.062 0.000 1.406 55 M HN 0.231 nan 8.290 nan 0.000 0.459 56 T N -2.471 112.144 114.554 0.102 0.000 3.188 56 T HA 0.174 4.412 4.350 -0.186 0.000 0.250 56 T C -0.358 174.392 174.700 0.084 0.000 1.077 56 T CA -0.574 61.569 62.100 0.072 0.000 0.967 56 T CB -0.520 68.383 68.868 0.058 0.000 1.006 56 T HN 0.270 nan 8.240 nan 0.000 0.552 57 D N 3.867 124.337 120.400 0.117 0.000 2.316 57 D HA 0.222 4.750 4.640 -0.186 0.000 0.245 57 D C -1.367 174.958 176.300 0.040 0.000 1.171 57 D CA -2.351 51.721 54.000 0.120 0.000 0.856 57 D CB 1.759 42.657 40.800 0.164 0.000 1.090 57 D HN 0.092 nan 8.370 nan 0.000 0.476 58 P HA -0.257 nan 4.420 nan 0.000 0.220 58 P C 1.010 178.296 177.300 -0.024 0.000 1.155 58 P CA 1.435 64.505 63.100 -0.050 0.000 0.880 58 P CB 0.206 31.865 31.700 -0.068 0.000 0.790 59 E N -1.097 119.105 120.200 0.004 0.000 2.512 59 E HA -0.047 4.191 4.350 -0.186 0.000 0.195 59 E C 1.192 177.793 176.600 0.002 0.000 1.083 59 E CA 0.527 56.928 56.400 0.001 0.000 0.873 59 E CB -0.466 29.235 29.700 0.002 0.000 0.897 59 E HN 0.222 nan 8.360 nan 0.000 0.514 60 M N 0.344 119.948 119.600 0.006 0.000 2.414 60 M HA 0.385 4.754 4.480 -0.186 0.000 0.251 60 M C 0.752 177.057 176.300 0.009 0.000 1.116 60 M CA 0.100 55.407 55.300 0.010 0.000 1.056 60 M CB 0.539 33.152 32.600 0.021 0.000 1.388 60 M HN 0.172 nan 8.290 nan 0.000 0.487 61 A N -0.456 122.364 122.820 -0.001 0.000 2.588 61 A HA 0.538 4.746 4.320 -0.186 0.000 0.290 61 A C -0.141 177.434 177.584 -0.015 0.000 1.136 61 A CA -0.600 51.438 52.037 0.000 0.000 0.681 61 A CB 0.890 19.892 19.000 0.003 0.000 1.282 61 A HN 0.117 nan 8.150 nan 0.000 0.421 62 D N 0.129 120.526 120.400 -0.005 0.000 2.144 62 D HA 0.221 4.749 4.640 -0.186 0.000 0.207 62 D C 0.823 177.090 176.300 -0.055 0.000 0.970 62 D CA 1.896 55.886 54.000 -0.016 0.000 0.853 62 D CB 0.162 40.969 40.800 0.010 0.000 1.007 62 D HN 0.701 nan 8.370 nan 0.000 0.469 63 A N 1.087 123.876 122.820 -0.051 0.000 2.586 63 A HA 0.428 4.636 4.320 -0.186 0.000 0.320 63 A C -0.464 176.999 177.584 -0.201 0.000 1.281 63 A CA -0.469 51.475 52.037 -0.154 0.000 0.775 63 A CB 0.648 19.656 19.000 0.013 0.000 1.122 63 A HN -0.156 nan 8.150 nan 0.000 0.470 64 T N 2.891 117.267 114.554 -0.298 0.000 2.723 64 T HA 0.360 4.599 4.350 -0.186 0.000 0.297 64 T C -0.877 173.612 174.700 -0.352 0.000 0.925 64 T CA 0.635 62.607 62.100 -0.213 0.000 1.030 64 T CB -0.432 68.344 68.868 -0.154 0.000 0.905 64 T HN 0.395 nan 8.240 nan 0.000 0.502 65 Y N 3.166 123.433 120.300 -0.056 0.000 2.504 65 Y HA 0.418 4.855 4.550 -0.187 0.000 0.339 65 Y C 0.599 176.466 175.900 -0.055 0.000 0.974 65 Y CA -1.006 57.056 58.100 -0.064 0.000 1.232 65 Y CB 0.236 38.660 38.460 -0.061 0.000 1.108 65 Y HN 0.558 nan 8.280 nan 0.000 0.509 66 I N 5.018 125.606 120.570 0.031 0.000 2.224 66 I HA 0.177 4.235 4.170 -0.186 0.000 0.293 66 I C -0.187 175.943 176.117 0.021 0.000 1.155 66 I CA 0.129 61.439 61.300 0.017 0.000 1.297 66 I CB -0.245 37.746 38.000 -0.014 0.000 1.487 66 I HN 0.557 nan 8.210 nan 0.000 0.564 67 E N 5.875 126.096 120.200 0.036 0.000 2.433 67 E HA 0.488 4.726 4.350 -0.186 0.000 0.273 67 E C -2.669 173.926 176.600 -0.008 0.000 0.950 67 E CA -2.165 54.239 56.400 0.007 0.000 0.796 67 E CB 1.708 31.416 29.700 0.013 0.000 1.330 67 E HN 0.007 nan 8.360 nan 0.000 0.455 68 P HA 0.159 nan 4.420 nan 0.000 0.267 68 P C 0.055 177.359 177.300 0.007 0.000 1.205 68 P CA 0.213 63.299 63.100 -0.024 0.000 0.765 68 P CB 0.192 31.863 31.700 -0.048 0.000 0.828 69 I N 3.634 124.214 120.570 0.016 0.000 2.382 69 I HA 0.044 4.102 4.170 -0.186 0.000 0.297 69 I C 1.095 177.250 176.117 0.064 0.000 1.172 69 I CA 0.239 61.554 61.300 0.026 0.000 1.825 69 I CB -1.014 36.989 38.000 0.006 0.000 1.509 69 I HN 0.367 nan 8.210 nan 0.000 0.842 70 H N 5.322 124.374 119.070 -0.030 0.000 2.495 70 H HA 0.041 4.485 4.556 -0.187 0.000 0.348 70 H C 0.673 175.989 175.328 -0.021 0.000 1.113 70 H CA -0.906 55.133 56.048 -0.016 0.000 1.195 70 H CB 1.366 31.079 29.762 -0.082 0.000 1.521 70 H HN 0.581 nan 8.280 nan 0.000 0.509 71 W N 5.363 126.470 121.300 -0.322 0.000 2.290 71 W HA -0.201 4.347 4.660 -0.187 0.000 0.311 71 W C 0.542 177.083 176.519 0.037 0.000 1.238 71 W CA 1.378 58.644 57.345 -0.131 0.000 1.255 71 W CB -0.533 28.818 29.460 -0.182 0.000 1.145 71 W HN 0.659 nan 8.180 nan 0.000 0.506 72 E N 0.687 120.419 120.200 -0.779 0.000 2.110 72 E HA -0.160 4.078 4.350 -0.186 0.000 0.193 72 E C 2.398 178.810 176.600 -0.314 0.000 0.988 72 E CA 1.833 57.754 56.400 -0.798 0.000 0.804 72 E CB -0.235 29.024 29.700 -0.736 0.000 0.745 72 E HN 0.158 nan 8.360 nan 0.000 0.458 73 V N 0.783 120.610 119.914 -0.147 0.000 2.453 73 V HA -0.196 3.812 4.120 -0.186 0.000 0.247 73 V C 2.295 178.304 176.094 -0.141 0.000 1.048 73 V CA 1.121 63.341 62.300 -0.134 0.000 1.049 73 V CB -0.172 31.597 31.823 -0.091 0.000 0.672 73 V HN 0.122 nan 8.190 nan 0.000 0.457 74 V N 0.251 120.112 119.914 -0.089 0.000 2.307 74 V HA -0.268 3.740 4.120 -0.186 0.000 0.245 74 V C 2.534 178.548 176.094 -0.132 0.000 1.045 74 V CA 2.334 64.574 62.300 -0.099 0.000 1.024 74 V CB -0.873 30.940 31.823 -0.018 0.000 0.651 74 V HN 0.521 nan 8.190 nan 0.000 0.449 75 R N 0.349 120.809 120.500 -0.067 0.000 2.113 75 R HA -0.247 3.981 4.340 -0.186 0.000 0.244 75 R C 2.429 178.613 176.300 -0.193 0.000 1.142 75 R CA 1.859 57.929 56.100 -0.050 0.000 0.953 75 R CB -0.255 30.075 30.300 0.051 0.000 0.860 75 R HN 0.284 nan 8.270 nan 0.000 0.438 76 K N 0.514 120.801 120.400 -0.189 0.000 2.152 76 K HA -0.117 4.091 4.320 -0.186 0.000 0.206 76 K C 2.031 178.454 176.600 -0.295 0.000 1.048 76 K CA 1.395 57.556 56.287 -0.210 0.000 0.933 76 K CB -0.168 32.222 32.500 -0.184 0.000 0.721 76 K HN 0.402 nan 8.250 nan 0.000 0.447 77 I N 0.224 120.582 120.570 -0.354 0.000 2.353 77 I HA -0.201 3.857 4.170 -0.186 0.000 0.248 77 I C 2.239 178.107 176.117 -0.416 0.000 1.119 77 I CA 0.752 61.745 61.300 -0.512 0.000 1.417 77 I CB -0.207 37.411 38.000 -0.637 0.000 1.078 77 I HN 0.033 nan 8.210 nan 0.000 0.421 78 I N 0.600 120.938 120.570 -0.387 0.000 2.163 78 I HA -0.262 3.796 4.170 -0.186 0.000 0.240 78 I C 2.753 178.459 176.117 -0.686 0.000 1.081 78 I CA 1.233 62.267 61.300 -0.444 0.000 1.353 78 I CB -0.438 37.320 38.000 -0.405 0.000 1.054 78 I HN 0.258 nan 8.210 nan 0.000 0.407 79 E N 1.846 121.481 120.200 -0.940 0.000 2.097 79 E HA -0.316 3.922 4.350 -0.186 0.000 0.196 79 E C 2.092 178.464 176.600 -0.379 0.000 1.000 79 E CA 1.882 57.703 56.400 -0.966 0.000 0.804 79 E CB -0.067 29.351 29.700 -0.469 0.000 0.740 79 E HN 0.487 nan 8.360 nan 0.000 0.454 80 K N -0.206 120.018 120.400 -0.294 0.000 2.186 80 K HA -0.050 4.158 4.320 -0.186 0.000 0.202 80 K C 1.650 178.186 176.600 -0.107 0.000 1.052 80 K CA 0.920 57.114 56.287 -0.155 0.000 0.965 80 K CB 0.182 32.605 32.500 -0.128 0.000 0.746 80 K HN -0.058 nan 8.250 nan 0.000 0.457 81 E N 0.854 120.968 120.200 -0.143 0.000 2.415 81 E HA 0.042 4.280 4.350 -0.186 0.000 0.197 81 E C -0.434 176.138 176.600 -0.047 0.000 1.007 81 E CA -0.024 56.342 56.400 -0.058 0.000 0.890 81 E CB 0.418 30.099 29.700 -0.031 0.000 0.891 81 E HN 0.207 nan 8.360 nan 0.000 0.496 82 R N 1.222 121.661 120.500 -0.101 0.000 2.884 82 R HA -0.141 4.088 4.340 -0.186 0.000 0.251 82 R C -2.425 173.872 176.300 -0.004 0.000 0.870 82 R CA 0.389 56.461 56.100 -0.046 0.000 0.647 82 R CB -2.109 28.202 30.300 0.019 0.000 1.415 82 R HN 0.180 nan 8.270 nan 0.000 0.513 83 P HA 0.170 nan 4.420 nan 0.000 0.284 83 P C 0.437 177.758 177.300 0.034 0.000 1.253 83 P CA -0.429 62.679 63.100 0.013 0.000 0.800 83 P CB 0.788 32.489 31.700 0.000 0.000 0.961 84 D N 0.857 121.284 120.400 0.046 0.000 2.091 84 D HA -0.009 4.519 4.640 -0.186 0.000 0.199 84 D C 0.814 177.139 176.300 0.041 0.000 0.980 84 D CA 1.444 55.475 54.000 0.051 0.000 0.831 84 D CB 0.122 40.961 40.800 0.064 0.000 0.987 84 D HN 0.458 nan 8.370 nan 0.000 0.460 85 A N -0.060 122.777 122.820 0.030 0.000 2.435 85 A HA 0.603 4.811 4.320 -0.186 0.000 0.296 85 A C -1.206 176.382 177.584 0.007 0.000 1.147 85 A CA -0.556 51.489 52.037 0.013 0.000 0.775 85 A CB 2.480 21.474 19.000 -0.009 0.000 1.340 85 A HN -0.019 nan 8.150 nan 0.000 0.427 86 V N 0.985 120.902 119.914 0.004 0.000 2.638 86 V HA 0.631 4.639 4.120 -0.186 0.000 0.306 86 V C -1.741 174.351 176.094 -0.003 0.000 1.052 86 V CA -0.619 61.682 62.300 0.003 0.000 0.885 86 V CB 1.496 33.325 31.823 0.010 0.000 0.999 86 V HN 0.929 nan 8.190 nan 0.000 0.424 87 L N 10.302 131.521 121.223 -0.006 0.000 2.283 87 L HA 0.714 4.942 4.340 -0.186 0.000 0.281 87 L C -1.967 174.903 176.870 0.000 0.000 1.033 87 L CA -1.433 53.404 54.840 -0.006 0.000 0.848 87 L CB 1.752 43.804 42.059 -0.012 0.000 1.226 87 L HN 0.529 nan 8.230 nan 0.000 0.429 88 P HA 0.075 nan 4.420 nan 0.000 0.267 88 P C 0.680 177.976 177.300 -0.008 0.000 1.289 88 P CA 0.234 63.332 63.100 -0.003 0.000 0.866 88 P CB 0.192 31.894 31.700 0.002 0.000 1.309 89 T N -4.254 110.303 114.554 0.006 0.000 3.169 89 T HA 0.181 4.420 4.350 -0.186 0.000 0.250 89 T C 1.132 175.858 174.700 0.044 0.000 1.111 89 T CA 0.149 62.259 62.100 0.017 0.000 1.010 89 T CB -0.592 68.293 68.868 0.029 0.000 0.984 89 T HN -0.116 nan 8.240 nan 0.000 0.537 90 M N 1.021 120.646 119.600 0.041 0.000 2.496 90 M HA 0.400 4.768 4.480 -0.186 0.000 0.330 90 M C 0.982 177.341 176.300 0.098 0.000 1.133 90 M CA -0.057 55.309 55.300 0.109 0.000 0.964 90 M CB 0.902 33.554 32.600 0.087 0.000 1.401 90 M HN 0.434 nan 8.290 nan 0.000 0.520 91 G N 0.021 108.759 108.800 -0.103 0.000 4.917 91 G HA2 0.488 4.337 3.960 -0.186 0.000 0.244 91 G HA3 0.488 4.337 3.960 -0.186 0.000 0.244 91 G C 0.644 175.171 174.900 -0.622 0.000 1.072 91 G CA 0.094 45.036 45.100 -0.263 0.000 0.850 91 G HN 0.571 nan 8.290 nan 0.000 0.559 92 G N 0.908 109.005 108.800 -1.172 0.000 2.578 92 G HA2 -0.359 3.489 3.960 -0.186 0.000 0.275 92 G HA3 -0.359 3.489 3.960 -0.186 0.000 0.275 92 G C 1.010 175.668 174.900 -0.403 0.000 1.271 92 G CA 0.835 45.320 45.100 -1.024 0.000 0.941 92 G HN 0.632 nan 8.290 nan 0.000 0.564 93 Q N -0.996 118.641 119.800 -0.272 0.000 2.079 93 Q HA 0.023 4.251 4.340 -0.186 0.000 0.200 93 Q C 3.000 178.941 176.000 -0.099 0.000 0.974 93 Q CA 2.770 58.494 55.803 -0.131 0.000 0.840 93 Q CB -0.892 27.797 28.738 -0.082 0.000 0.898 93 Q HN 0.722 nan 8.270 nan 0.000 0.430 94 T N 0.284 114.759 114.554 -0.131 0.000 2.597 94 T HA -0.270 3.968 4.350 -0.186 0.000 0.267 94 T C 1.658 176.313 174.700 -0.075 0.000 1.053 94 T CA 1.870 63.916 62.100 -0.090 0.000 1.165 94 T CB -0.689 68.121 68.868 -0.096 0.000 0.863 94 T HN 0.490 nan 8.240 nan 0.000 0.427 95 A N 0.979 123.732 122.820 -0.111 0.000 1.908 95 A HA -0.024 4.184 4.320 -0.186 0.000 0.218 95 A C 2.346 179.905 177.584 -0.042 0.000 1.181 95 A CA 1.335 53.327 52.037 -0.074 0.000 0.627 95 A CB -0.828 18.119 19.000 -0.089 0.000 0.818 95 A HN 0.511 nan 8.150 nan 0.000 0.445 96 L N -0.507 120.689 121.223 -0.046 0.000 2.056 96 L HA -0.189 4.040 4.340 -0.186 0.000 0.207 96 L C 2.319 179.223 176.870 0.057 0.000 1.078 96 L CA 1.309 56.155 54.840 0.009 0.000 0.749 96 L CB -0.790 41.274 42.059 0.008 0.000 0.901 96 L HN 0.364 nan 8.230 nan 0.000 0.433 97 N N -0.264 118.463 118.700 0.044 0.000 2.106 97 N HA -0.189 4.439 4.740 -0.186 0.000 0.188 97 N C 1.934 177.432 175.510 -0.020 0.000 1.029 97 N CA 1.499 54.571 53.050 0.036 0.000 0.848 97 N CB -0.913 37.585 38.487 0.018 0.000 1.007 97 N HN 0.336 nan 8.380 nan 0.000 0.423 98 C N 1.317 120.607 119.300 -0.017 0.000 2.398 98 C HA -0.060 4.289 4.460 -0.186 0.000 0.276 98 C C 2.806 177.792 174.990 -0.008 0.000 1.222 98 C CA 1.363 60.375 59.018 -0.010 0.000 1.746 98 C CB -1.283 26.458 27.740 0.002 0.000 2.039 98 C HN 0.486 nan 8.230 nan 0.000 0.470 99 A N -0.075 122.744 122.820 -0.001 0.000 1.892 99 A HA -0.135 4.073 4.320 -0.186 0.000 0.218 99 A C 1.952 179.529 177.584 -0.013 0.000 1.188 99 A CA 2.064 54.104 52.037 0.004 0.000 0.631 99 A CB -0.699 18.307 19.000 0.011 0.000 0.822 99 A HN 0.580 nan 8.150 nan 0.000 0.447 100 L N -0.733 120.478 121.223 -0.020 0.000 2.313 100 L HA -0.012 4.216 4.340 -0.186 0.000 0.214 100 L C 2.341 179.128 176.870 -0.138 0.000 1.119 100 L CA 1.341 56.148 54.840 -0.056 0.000 0.809 100 L CB -0.376 41.667 42.059 -0.026 0.000 0.933 100 L HN 0.288 nan 8.230 nan 0.000 0.449 101 E N -0.205 119.897 120.200 -0.164 0.000 2.112 101 E HA -0.061 4.177 4.350 -0.186 0.000 0.190 101 E C 2.242 178.663 176.600 -0.299 0.000 0.979 101 E CA 0.879 57.104 56.400 -0.293 0.000 0.814 101 E CB -0.089 29.427 29.700 -0.307 0.000 0.762 101 E HN 0.374 nan 8.360 nan 0.000 0.460 102 L N 0.694 121.846 121.223 -0.118 0.000 2.046 102 L HA -0.213 4.016 4.340 -0.186 0.000 0.208 102 L C 2.573 179.412 176.870 -0.051 0.000 1.077 102 L CA 1.769 56.599 54.840 -0.018 0.000 0.747 102 L CB -0.447 41.646 42.059 0.058 0.000 0.896 102 L HN 0.146 nan 8.230 nan 0.000 0.432 103 E N 0.823 120.987 120.200 -0.061 0.000 2.017 103 E HA -0.286 3.952 4.350 -0.186 0.000 0.193 103 E C 2.298 178.839 176.600 -0.099 0.000 0.997 103 E CA 1.514 57.881 56.400 -0.054 0.000 0.804 103 E CB -0.262 29.414 29.700 -0.041 0.000 0.757 103 E HN 0.182 nan 8.360 nan 0.000 0.448 104 R N -0.410 119.999 120.500 -0.153 0.000 2.127 104 R HA -0.123 4.105 4.340 -0.186 0.000 0.238 104 R C 1.752 177.914 176.300 -0.229 0.000 1.134 104 R CA 1.525 57.512 56.100 -0.189 0.000 0.975 104 R CB -0.036 30.124 30.300 -0.233 0.000 0.865 104 R HN 0.299 nan 8.270 nan 0.000 0.447 105 Q N -0.696 118.916 119.800 -0.313 0.000 2.444 105 Q HA 0.055 4.283 4.340 -0.186 0.000 0.206 105 Q C 0.911 176.835 176.000 -0.126 0.000 0.948 105 Q CA 0.856 56.447 55.803 -0.354 0.000 0.946 105 Q CB 0.916 29.156 28.738 -0.830 0.000 1.027 105 Q HN 0.667 nan 8.270 nan 0.000 0.513 106 G N 0.175 108.927 108.800 -0.081 0.000 2.162 106 G HA2 -0.308 3.540 3.960 -0.186 0.000 0.260 106 G HA3 -0.308 3.540 3.960 -0.186 0.000 0.260 106 G C 0.987 175.894 174.900 0.012 0.000 0.976 106 G CA 0.524 45.603 45.100 -0.035 0.000 0.655 106 G HN 0.320 nan 8.290 nan 0.000 0.533 107 V N 0.729 120.687 119.914 0.073 0.000 2.427 107 V HA -0.133 3.876 4.120 -0.186 0.000 0.248 107 V C 2.905 179.124 176.094 0.207 0.000 1.051 107 V CA 2.272 64.692 62.300 0.200 0.000 1.048 107 V CB -0.456 31.544 31.823 0.294 0.000 0.666 107 V HN 0.528 nan 8.190 nan 0.000 0.456 108 L N -0.245 121.046 121.223 0.113 0.000 2.027 108 L HA -0.177 4.051 4.340 -0.186 0.000 0.206 108 L C 2.545 179.460 176.870 0.075 0.000 1.074 108 L CA 1.968 56.869 54.840 0.101 0.000 0.745 108 L CB -0.683 41.408 42.059 0.054 0.000 0.898 108 L HN 0.336 nan 8.230 nan 0.000 0.433 109 E N 0.733 120.946 120.200 0.022 0.000 2.023 109 E HA -0.312 3.926 4.350 -0.186 0.000 0.196 109 E C 2.140 178.709 176.600 -0.052 0.000 1.003 109 E CA 1.676 58.069 56.400 -0.013 0.000 0.809 109 E CB -0.073 29.608 29.700 -0.032 0.000 0.755 109 E HN 0.387 nan 8.360 nan 0.000 0.449 110 E N -1.025 119.104 120.200 -0.120 0.000 2.187 110 E HA -0.220 4.018 4.350 -0.186 0.000 0.199 110 E C 0.798 177.092 176.600 -0.510 0.000 1.004 110 E CA 1.349 57.545 56.400 -0.341 0.000 0.813 110 E CB -0.066 29.362 29.700 -0.453 0.000 0.736 110 E HN 0.346 nan 8.360 nan 0.000 0.468 111 F N -1.006 118.952 119.950 0.014 0.000 2.688 111 F HA 0.345 4.760 4.527 -0.186 0.000 0.310 111 F C 0.974 176.780 175.800 0.010 0.000 1.098 111 F CA 0.222 58.229 58.000 0.012 0.000 1.228 111 F CB 1.283 40.290 39.000 0.012 0.000 1.042 111 F HN 0.055 nan 8.300 nan 0.000 0.557 112 G N 1.858 110.731 108.800 0.121 0.000 2.350 112 G HA2 -0.227 3.621 3.960 -0.186 0.000 0.298 112 G HA3 -0.227 3.621 3.960 -0.186 0.000 0.298 112 G C -0.326 174.630 174.900 0.094 0.000 1.037 112 G CA 0.100 45.249 45.100 0.082 0.000 1.074 112 G HN 0.172 nan 8.290 nan 0.000 0.511 113 V N 0.580 120.556 119.914 0.103 0.000 2.407 113 V HA 0.571 4.579 4.120 -0.186 0.000 0.278 113 V C 0.818 176.942 176.094 0.051 0.000 1.037 113 V CA -0.238 62.109 62.300 0.079 0.000 0.900 113 V CB 1.638 33.512 31.823 0.084 0.000 0.983 113 V HN 0.385 nan 8.190 nan 0.000 0.459 114 T N 6.336 120.912 114.554 0.037 0.000 2.799 114 T HA 0.451 4.689 4.350 -0.186 0.000 0.286 114 T C -0.129 174.581 174.700 0.016 0.000 0.973 114 T CA -0.267 61.847 62.100 0.024 0.000 1.035 114 T CB 1.091 69.971 68.868 0.020 0.000 0.932 114 T HN 0.641 nan 8.240 nan 0.000 0.469 115 M N 5.471 125.079 119.600 0.014 0.000 2.120 115 M HA 0.501 4.869 4.480 -0.186 0.000 0.354 115 M C -0.550 175.751 176.300 0.003 0.000 1.287 115 M CA -0.494 54.812 55.300 0.009 0.000 1.103 115 M CB 0.027 32.635 32.600 0.013 0.000 1.623 115 M HN 0.639 nan 8.290 nan 0.000 0.471 116 I N 1.378 121.945 120.570 -0.006 0.000 2.797 116 I HA 0.928 4.986 4.170 -0.186 0.000 0.307 116 I C 0.531 176.643 176.117 -0.008 0.000 1.033 116 I CA -0.140 61.151 61.300 -0.014 0.000 1.071 116 I CB 1.959 39.936 38.000 -0.037 0.000 1.255 116 I HN 0.844 nan 8.210 nan 0.000 0.445 117 G N 3.606 112.405 108.800 -0.003 0.000 3.079 117 G HA2 -0.047 3.801 3.960 -0.186 0.000 0.214 117 G HA3 -0.047 3.801 3.960 -0.186 0.000 0.214 117 G C 0.125 175.034 174.900 0.015 0.000 1.335 117 G CA 0.278 45.383 45.100 0.009 0.000 0.822 117 G HN 1.821 nan 8.290 nan 0.000 0.545 118 A N -0.262 122.566 122.820 0.013 0.000 2.517 118 A HA 0.879 5.087 4.320 -0.186 0.000 0.297 118 A C 0.150 177.743 177.584 0.016 0.000 1.050 118 A CA 1.024 53.070 52.037 0.016 0.000 0.694 118 A CB 0.874 19.884 19.000 0.016 0.000 1.277 118 A HN 2.044 nan 8.150 nan 0.000 0.400 119 T N -0.425 114.140 114.554 0.018 0.000 2.748 119 T HA 0.462 4.701 4.350 -0.186 0.000 0.304 119 T C 1.369 176.085 174.700 0.027 0.000 1.041 119 T CA 0.451 62.563 62.100 0.019 0.000 1.033 119 T CB 0.907 69.786 68.868 0.018 0.000 0.995 119 T HN 1.762 nan 8.240 nan 0.000 0.536 120 A N 0.235 123.071 122.820 0.028 0.000 2.014 120 A HA 0.064 4.273 4.320 -0.186 0.000 0.218 120 A C 1.987 179.604 177.584 0.056 0.000 1.163 120 A CA 1.629 53.691 52.037 0.040 0.000 0.652 120 A CB -1.058 17.958 19.000 0.027 0.000 0.808 120 A HN 1.032 nan 8.150 nan 0.000 0.449 121 D N -0.422 120.003 120.400 0.042 0.000 2.194 121 D HA 0.089 4.617 4.640 -0.186 0.000 0.204 121 D C 1.960 178.289 176.300 0.048 0.000 0.964 121 D CA 1.157 55.185 54.000 0.047 0.000 0.846 121 D CB -0.103 40.715 40.800 0.030 0.000 0.962 121 D HN 0.293 nan 8.370 nan 0.000 0.490 122 A N 0.499 123.341 122.820 0.036 0.000 1.877 122 A HA -0.118 4.090 4.320 -0.186 0.000 0.216 122 A C 2.333 179.934 177.584 0.027 0.000 1.186 122 A CA 1.229 53.285 52.037 0.031 0.000 0.620 122 A CB -0.883 18.132 19.000 0.024 0.000 0.822 122 A HN 0.376 nan 8.150 nan 0.000 0.443 123 I N -0.296 120.291 120.570 0.028 0.000 2.118 123 I HA -0.295 3.763 4.170 -0.186 0.000 0.241 123 I C 2.324 178.435 176.117 -0.010 0.000 1.070 123 I CA 2.191 63.496 61.300 0.009 0.000 1.327 123 I CB -0.513 37.514 38.000 0.044 0.000 1.034 123 I HN 0.436 nan 8.210 nan 0.000 0.405 124 D N 0.708 121.175 120.400 0.112 0.000 2.219 124 D HA -0.199 4.330 4.640 -0.186 0.000 0.205 124 D C 2.181 178.537 176.300 0.094 0.000 0.970 124 D CA 1.125 55.257 54.000 0.219 0.000 0.851 124 D CB 0.053 41.015 40.800 0.270 0.000 0.943 124 D HN 0.088 nan 8.370 nan 0.000 0.488 125 K N -0.717 119.722 120.400 0.065 0.000 2.211 125 K HA -0.010 4.198 4.320 -0.186 0.000 0.203 125 K C 1.768 178.442 176.600 0.123 0.000 1.050 125 K CA 0.992 57.325 56.287 0.076 0.000 0.945 125 K CB 0.041 32.574 32.500 0.056 0.000 0.732 125 K HN 0.173 nan 8.250 nan 0.000 0.451 126 A N 0.535 123.389 122.820 0.055 0.000 1.956 126 A HA -0.001 4.207 4.320 -0.186 0.000 0.212 126 A C 1.636 179.091 177.584 -0.214 0.000 1.188 126 A CA 0.566 52.622 52.037 0.031 0.000 0.675 126 A CB 0.041 19.009 19.000 -0.052 0.000 0.845 126 A HN 0.143 nan 8.150 nan 0.000 0.455 127 E N 0.573 120.535 120.200 -0.397 0.000 2.230 127 E HA -0.059 4.179 4.350 -0.186 0.000 0.192 127 E C -0.147 176.096 176.600 -0.596 0.000 0.987 127 E CA 0.237 56.135 56.400 -0.837 0.000 0.841 127 E CB -0.136 28.515 29.700 -1.749 0.000 0.783 127 E HN 0.540 nan 8.360 nan 0.000 0.481 128 D N 1.244 121.541 120.400 -0.173 0.000 2.325 128 D HA 0.013 4.541 4.640 -0.186 0.000 0.251 128 D C 0.978 177.322 176.300 0.072 0.000 1.196 128 D CA -0.116 53.961 54.000 0.128 0.000 0.866 128 D CB 0.714 41.653 40.800 0.232 0.000 1.101 128 D HN -0.148 nan 8.370 nan 0.000 0.476 129 R N 3.531 124.065 120.500 0.057 0.000 2.120 129 R HA -0.103 4.125 4.340 -0.186 0.000 0.234 129 R C 2.036 178.406 176.300 0.117 0.000 1.123 129 R CA 0.504 56.641 56.100 0.061 0.000 0.975 129 R CB -0.150 30.155 30.300 0.008 0.000 0.866 129 R HN 0.520 nan 8.270 nan 0.000 0.446 130 R N 1.058 121.618 120.500 0.100 0.000 2.073 130 R HA -0.072 4.156 4.340 -0.186 0.000 0.234 130 R C 2.348 178.699 176.300 0.085 0.000 1.134 130 R CA 1.383 57.535 56.100 0.087 0.000 0.952 130 R CB -0.003 30.355 30.300 0.097 0.000 0.850 130 R HN 0.152 nan 8.270 nan 0.000 0.433 131 R N -0.785 119.775 120.500 0.101 0.000 2.081 131 R HA -0.154 4.075 4.340 -0.186 0.000 0.235 131 R C 2.197 178.538 176.300 0.069 0.000 1.131 131 R CA 1.571 57.717 56.100 0.077 0.000 0.960 131 R CB -0.433 29.921 30.300 0.090 0.000 0.856 131 R HN 0.231 nan 8.270 nan 0.000 0.436 132 F N 2.040 121.974 119.950 -0.026 0.000 2.134 132 F HA -0.212 4.204 4.527 -0.185 0.000 0.299 132 F C 1.927 177.706 175.800 -0.036 0.000 1.097 132 F CA 1.885 59.858 58.000 -0.044 0.000 1.264 132 F CB -0.229 38.730 39.000 -0.070 0.000 1.001 132 F HN -0.041 nan 8.300 nan 0.000 0.479 133 D N -0.302 120.152 120.400 0.091 0.000 2.117 133 D HA -0.167 4.362 4.640 -0.186 0.000 0.197 133 D C 2.183 178.426 176.300 -0.095 0.000 0.987 133 D CA 1.454 55.458 54.000 0.005 0.000 0.829 133 D CB -0.180 40.658 40.800 0.063 0.000 0.961 133 D HN 0.186 nan 8.370 nan 0.000 0.460 134 V N 0.482 120.356 119.914 -0.066 0.000 2.427 134 V HA -0.173 3.835 4.120 -0.186 0.000 0.248 134 V C 2.466 178.489 176.094 -0.118 0.000 1.051 134 V CA 1.688 63.948 62.300 -0.067 0.000 1.048 134 V CB -0.727 31.079 31.823 -0.028 0.000 0.666 134 V HN 0.338 nan 8.190 nan 0.000 0.456 135 A N -0.777 121.928 122.820 -0.192 0.000 2.015 135 A HA -0.136 4.072 4.320 -0.186 0.000 0.219 135 A C 2.180 179.607 177.584 -0.261 0.000 1.163 135 A CA 1.477 53.381 52.037 -0.222 0.000 0.646 135 A CB -0.331 18.509 19.000 -0.266 0.000 0.806 135 A HN 0.409 nan 8.150 nan 0.000 0.448 136 M N -0.401 118.990 119.600 -0.348 0.000 2.200 136 M HA -0.037 4.332 4.480 -0.186 0.000 0.265 136 M C 2.009 178.229 176.300 -0.133 0.000 1.066 136 M CA 1.427 56.565 55.300 -0.270 0.000 1.127 136 M CB -1.140 31.282 32.600 -0.297 0.000 1.379 136 M HN 0.476 nan 8.290 nan 0.000 0.420 137 K N 0.837 121.171 120.400 -0.109 0.000 1.978 137 K HA -0.214 3.994 4.320 -0.186 0.000 0.214 137 K C 2.150 178.716 176.600 -0.057 0.000 1.049 137 K CA 1.573 57.824 56.287 -0.061 0.000 0.939 137 K CB -0.215 32.257 32.500 -0.048 0.000 0.721 137 K HN 0.101 nan 8.250 nan 0.000 0.441 138 K N 1.175 121.534 120.400 -0.068 0.000 2.127 138 K HA -0.194 4.014 4.320 -0.186 0.000 0.212 138 K C 1.707 178.276 176.600 -0.051 0.000 1.050 138 K CA 2.110 58.363 56.287 -0.057 0.000 0.929 138 K CB -0.316 32.146 32.500 -0.064 0.000 0.715 138 K HN 0.500 nan 8.250 nan 0.000 0.457 139 I N -3.755 116.776 120.570 -0.065 0.000 3.884 139 I HA 0.315 4.373 4.170 -0.186 0.000 0.330 139 I C 0.712 176.811 176.117 -0.030 0.000 1.451 139 I CA 0.305 61.577 61.300 -0.047 0.000 1.165 139 I CB 0.402 38.371 38.000 -0.052 0.000 1.097 139 I HN 0.235 nan 8.210 nan 0.000 0.404 140 G N 1.729 110.513 108.800 -0.026 0.000 2.184 140 G HA2 -0.248 3.600 3.960 -0.186 0.000 0.264 140 G HA3 -0.248 3.600 3.960 -0.186 0.000 0.264 140 G C 0.056 174.957 174.900 0.001 0.000 0.975 140 G CA 0.292 45.386 45.100 -0.011 0.000 0.642 140 G HN 0.443 nan 8.290 nan 0.000 0.536 141 L N 0.492 121.712 121.223 -0.005 0.000 2.312 141 L HA 0.582 4.810 4.340 -0.186 0.000 0.281 141 L C 0.723 177.609 176.870 0.027 0.000 1.070 141 L CA -0.745 54.111 54.840 0.027 0.000 0.805 141 L CB 1.392 43.478 42.059 0.044 0.000 1.174 141 L HN 0.254 nan 8.230 nan 0.000 0.434 142 E N 1.319 121.559 120.200 0.066 0.000 2.343 142 E HA 0.351 4.590 4.350 -0.186 0.000 0.269 142 E C -0.651 175.995 176.600 0.076 0.000 1.047 142 E CA -0.334 56.107 56.400 0.068 0.000 0.874 142 E CB 1.153 30.913 29.700 0.100 0.000 1.033 142 E HN 0.681 nan 8.360 nan 0.000 0.409 143 T N -0.334 114.250 114.554 0.050 0.000 2.901 143 T HA 0.724 4.963 4.350 -0.186 0.000 0.293 143 T C -0.322 174.387 174.700 0.016 0.000 1.084 143 T CA -0.862 61.265 62.100 0.046 0.000 1.008 143 T CB 1.432 70.327 68.868 0.046 0.000 1.170 143 T HN 0.499 nan 8.240 nan 0.000 0.509 144 A N 1.208 124.019 122.820 -0.014 0.000 2.366 144 A HA 0.573 4.781 4.320 -0.186 0.000 0.249 144 A C 0.647 178.209 177.584 -0.037 0.000 1.084 144 A CA -0.639 51.363 52.037 -0.059 0.000 0.794 144 A CB 0.019 18.958 19.000 -0.102 0.000 1.034 144 A HN 0.960 nan 8.150 nan 0.000 0.491 145 R N 0.374 120.847 120.500 -0.045 0.000 2.522 145 R HA 0.291 4.519 4.340 -0.186 0.000 0.284 145 R C -0.158 176.122 176.300 -0.035 0.000 1.032 145 R CA 1.066 57.146 56.100 -0.033 0.000 1.049 145 R CB 0.077 30.355 30.300 -0.038 0.000 0.956 145 R HN 0.973 nan 8.270 nan 0.000 0.422 146 S N 1.584 117.270 115.700 -0.023 0.000 2.688 146 S HA 0.779 5.137 4.470 -0.186 0.000 0.275 146 S C -0.684 173.907 174.600 -0.015 0.000 1.175 146 S CA -0.669 57.519 58.200 -0.019 0.000 0.818 146 S CB 1.904 65.098 63.200 -0.010 0.000 1.157 146 S HN 0.707 nan 8.310 nan 0.000 0.482 147 G N -0.090 108.703 108.800 -0.012 0.000 2.719 147 G HA2 0.609 4.457 3.960 -0.186 0.000 0.298 147 G HA3 0.609 4.457 3.960 -0.186 0.000 0.298 147 G C -1.485 173.401 174.900 -0.024 0.000 1.411 147 G CA -0.632 44.460 45.100 -0.013 0.000 0.991 147 G HN 0.603 nan 8.290 nan 0.000 0.509 148 I N 1.161 121.707 120.570 -0.041 0.000 2.385 148 I HA 0.644 4.703 4.170 -0.186 0.000 0.294 148 I C 0.437 176.443 176.117 -0.185 0.000 0.988 148 I CA -0.488 60.746 61.300 -0.111 0.000 1.265 148 I CB 1.476 39.421 38.000 -0.092 0.000 1.388 148 I HN 0.634 nan 8.210 nan 0.000 0.480 149 A N 5.115 127.754 122.820 -0.300 0.000 2.475 149 A HA 0.651 4.859 4.320 -0.186 0.000 0.301 149 A C -0.635 176.651 177.584 -0.497 0.000 1.059 149 A CA -0.395 51.478 52.037 -0.274 0.000 0.710 149 A CB 0.963 19.920 19.000 -0.071 0.000 1.288 149 A HN 0.855 nan 8.150 nan 0.000 0.408 150 H N -0.125 118.959 119.070 0.024 0.000 3.241 150 H HA 0.260 4.704 4.556 -0.186 0.000 0.260 150 H C 0.469 175.805 175.328 0.014 0.000 1.084 150 H CA 0.897 56.954 56.048 0.015 0.000 1.203 150 H CB 1.144 30.913 29.762 0.012 0.000 1.524 150 H HN 0.774 nan 8.280 nan 0.000 0.521 151 T N -3.162 111.453 114.554 0.102 0.000 2.864 151 T HA 0.197 4.435 4.350 -0.186 0.000 0.299 151 T C 0.865 175.600 174.700 0.058 0.000 1.166 151 T CA -0.926 61.220 62.100 0.076 0.000 1.007 151 T CB 1.927 70.843 68.868 0.080 0.000 1.219 151 T HN -0.071 nan 8.240 nan 0.000 0.506 152 M N 1.037 120.671 119.600 0.057 0.000 2.117 152 M HA 0.008 4.376 4.480 -0.186 0.000 0.262 152 M C 2.164 178.532 176.300 0.112 0.000 1.065 152 M CA 2.166 57.510 55.300 0.074 0.000 1.114 152 M CB -1.039 31.600 32.600 0.066 0.000 1.361 152 M HN 0.936 nan 8.290 nan 0.000 0.408 153 E N -0.423 119.828 120.200 0.086 0.000 2.077 153 E HA -0.248 3.990 4.350 -0.186 0.000 0.193 153 E C 1.806 178.452 176.600 0.076 0.000 0.989 153 E CA 1.837 58.284 56.400 0.077 0.000 0.800 153 E CB -0.311 29.423 29.700 0.057 0.000 0.746 153 E HN 0.707 nan 8.360 nan 0.000 0.452 154 E N 0.034 120.278 120.200 0.074 0.000 2.107 154 E HA -0.133 4.105 4.350 -0.186 0.000 0.191 154 E C 2.029 178.676 176.600 0.078 0.000 0.982 154 E CA 0.772 57.210 56.400 0.063 0.000 0.809 154 E CB -0.094 29.641 29.700 0.059 0.000 0.756 154 E HN 0.443 nan 8.360 nan 0.000 0.459 155 A N 1.159 124.051 122.820 0.121 0.000 1.858 155 A HA -0.176 4.032 4.320 -0.186 0.000 0.216 155 A C 2.167 179.950 177.584 0.332 0.000 1.190 155 A CA 1.066 53.243 52.037 0.234 0.000 0.617 155 A CB -0.746 18.377 19.000 0.205 0.000 0.827 155 A HN 0.150 nan 8.150 nan 0.000 0.443 156 L N -0.635 120.762 121.223 0.290 0.000 2.081 156 L HA -0.271 3.957 4.340 -0.186 0.000 0.212 156 L C 3.073 179.913 176.870 -0.050 0.000 1.080 156 L CA 1.183 56.093 54.840 0.117 0.000 0.754 156 L CB -0.543 41.587 42.059 0.119 0.000 0.893 156 L HN 0.466 nan 8.230 nan 0.000 0.433 157 A N -0.387 122.432 122.820 -0.002 0.000 1.902 157 A HA -0.138 4.071 4.320 -0.186 0.000 0.217 157 A C 2.305 179.847 177.584 -0.070 0.000 1.181 157 A CA 1.826 53.842 52.037 -0.036 0.000 0.623 157 A CB -0.772 18.226 19.000 -0.003 0.000 0.818 157 A HN 0.207 nan 8.150 nan 0.000 0.443 158 V N -0.024 119.867 119.914 -0.038 0.000 2.295 158 V HA -0.236 3.772 4.120 -0.186 0.000 0.246 158 V C 3.045 179.049 176.094 -0.150 0.000 1.049 158 V CA 1.900 64.168 62.300 -0.053 0.000 1.024 158 V CB -1.529 30.302 31.823 0.013 0.000 0.648 158 V HN 0.601 nan 8.190 nan 0.000 0.447 159 A N 0.462 123.127 122.820 -0.258 0.000 1.892 159 A HA -0.211 3.997 4.320 -0.186 0.000 0.218 159 A C 2.470 179.735 177.584 -0.532 0.000 1.188 159 A CA 2.501 54.202 52.037 -0.559 0.000 0.631 159 A CB -1.049 17.264 19.000 -1.145 0.000 0.822 159 A HN 0.648 nan 8.150 nan 0.000 0.447 160 A N -0.486 122.104 122.820 -0.384 0.000 1.997 160 A HA -0.265 3.944 4.320 -0.186 0.000 0.221 160 A C 1.847 179.294 177.584 -0.227 0.000 1.172 160 A CA 2.485 54.351 52.037 -0.286 0.000 0.645 160 A CB -0.628 18.267 19.000 -0.174 0.000 0.813 160 A HN 0.599 nan 8.150 nan 0.000 0.454 161 D N -0.779 119.505 120.400 -0.193 0.000 2.144 161 D HA -0.089 4.439 4.640 -0.186 0.000 0.207 161 D C 1.981 178.191 176.300 -0.149 0.000 0.970 161 D CA 1.968 55.884 54.000 -0.139 0.000 0.853 161 D CB -0.136 40.604 40.800 -0.100 0.000 1.007 161 D HN 0.377 nan 8.370 nan 0.000 0.469 162 V N -2.224 117.585 119.914 -0.176 0.000 3.041 162 V HA 0.343 4.352 4.120 -0.186 0.000 0.260 162 V C 1.242 177.212 176.094 -0.207 0.000 1.105 162 V CA 0.690 62.894 62.300 -0.160 0.000 1.125 162 V CB -1.105 30.648 31.823 -0.116 0.000 0.730 162 V HN 0.347 nan 8.190 nan 0.000 0.479 163 G N 0.191 108.784 108.800 -0.345 0.000 2.880 163 G HA2 -0.197 3.652 3.960 -0.186 0.000 0.617 163 G HA3 -0.197 3.652 3.960 -0.186 0.000 0.617 163 G C -0.771 173.888 174.900 -0.401 0.000 1.493 163 G CA -0.033 44.816 45.100 -0.419 0.000 0.916 163 G HN 0.545 nan 8.290 nan 0.000 0.553 164 F N 1.453 121.360 119.950 -0.071 0.000 2.397 164 F HA 0.618 5.035 4.527 -0.185 0.000 0.331 164 F C -0.701 175.097 175.800 -0.004 0.000 1.090 164 F CA -1.767 56.203 58.000 -0.051 0.000 1.065 164 F CB 0.904 39.891 39.000 -0.022 0.000 1.184 164 F HN 0.465 nan 8.300 nan 0.000 0.499 165 P HA 0.468 nan 4.420 nan 0.000 0.278 165 P C -1.184 176.153 177.300 0.063 0.000 1.258 165 P CA -0.503 62.673 63.100 0.127 0.000 0.811 165 P CB 1.212 32.799 31.700 -0.188 0.000 1.063 166 C N -0.671 118.677 119.300 0.081 0.000 3.080 166 C HA 0.789 5.137 4.460 -0.186 0.000 0.307 166 C C -0.579 174.427 174.990 0.025 0.000 1.311 166 C CA -0.926 58.121 59.018 0.048 0.000 1.533 166 C CB 0.213 27.995 27.740 0.070 0.000 1.970 166 C HN 0.391 nan 8.230 nan 0.000 0.467 167 I N 1.631 122.204 120.570 0.006 0.000 2.377 167 I HA 0.539 4.597 4.170 -0.186 0.000 0.293 167 I C -0.205 175.920 176.117 0.014 0.000 0.987 167 I CA -0.480 60.815 61.300 -0.010 0.000 1.185 167 I CB 1.366 39.343 38.000 -0.038 0.000 1.341 167 I HN 0.568 nan 8.210 nan 0.000 0.455 168 I N 6.539 127.108 120.570 -0.001 0.000 2.339 168 I HA 0.484 4.543 4.170 -0.186 0.000 0.290 168 I C -0.095 176.000 176.117 -0.037 0.000 0.994 168 I CA -0.388 60.898 61.300 -0.023 0.000 1.191 168 I CB 0.728 38.684 38.000 -0.074 0.000 1.343 168 I HN 0.380 nan 8.210 nan 0.000 0.458 169 R N 6.955 127.433 120.500 -0.038 0.000 2.468 169 R HA 0.407 4.635 4.340 -0.186 0.000 0.302 169 R C -2.694 173.581 176.300 -0.042 0.000 1.041 169 R CA -1.760 54.316 56.100 -0.040 0.000 0.899 169 R CB 1.731 32.004 30.300 -0.046 0.000 1.167 169 R HN 0.247 nan 8.270 nan 0.000 0.483 170 P HA 0.081 nan 4.420 nan 0.000 0.275 170 P C -0.437 176.863 177.300 -0.001 0.000 1.228 170 P CA -0.170 62.918 63.100 -0.020 0.000 0.786 170 P CB 0.975 32.665 31.700 -0.017 0.000 0.927 171 S N 1.552 117.278 115.700 0.044 0.000 2.592 171 S HA 0.328 4.686 4.470 -0.186 0.000 0.271 171 S C 0.005 174.721 174.600 0.194 0.000 1.326 171 S CA -0.075 58.180 58.200 0.091 0.000 1.024 171 S CB -0.691 62.631 63.200 0.203 0.000 0.921 171 S HN 0.439 nan 8.310 nan 0.000 0.527 172 F N -0.125 119.800 119.950 -0.042 0.000 3.043 172 F HA -0.216 4.199 4.527 -0.187 0.000 0.290 172 F C 0.867 176.636 175.800 -0.052 0.000 0.844 172 F CA 0.924 58.897 58.000 -0.045 0.000 1.184 172 F CB -2.249 36.727 39.000 -0.039 0.000 1.246 172 F HN 0.668 nan 8.300 nan 0.000 0.536 173 T N -1.776 112.784 114.554 0.010 0.000 2.883 173 T HA 0.877 5.115 4.350 -0.186 0.000 0.296 173 T C -0.277 174.395 174.700 -0.047 0.000 1.117 173 T CA -0.209 61.884 62.100 -0.011 0.000 1.006 173 T CB 2.888 71.750 68.868 -0.011 0.000 1.191 173 T HN 0.474 nan 8.240 nan 0.000 0.508 174 M N -0.163 119.413 119.600 -0.040 0.000 2.779 174 M HA 0.851 5.219 4.480 -0.186 0.000 0.277 174 M C 0.800 177.079 176.300 -0.035 0.000 1.284 174 M CA 0.316 55.607 55.300 -0.015 0.000 0.801 174 M CB 0.413 33.008 32.600 -0.009 0.000 1.712 174 M HN 1.566 nan 8.290 nan 0.000 0.453 175 G N -0.600 108.196 108.800 -0.007 0.000 2.187 175 G HA2 0.173 4.022 3.960 -0.186 0.000 0.261 175 G HA3 0.173 4.022 3.960 -0.186 0.000 0.261 175 G C 1.148 175.695 174.900 -0.588 0.000 1.000 175 G CA 0.907 45.812 45.100 -0.325 0.000 0.718 175 G HN 2.578 nan 8.290 nan 0.000 0.519 176 G N -1.570 107.063 108.800 -0.280 0.000 2.168 176 G HA2 -0.084 3.764 3.960 -0.186 0.000 0.257 176 G HA3 -0.084 3.764 3.960 -0.186 0.000 0.257 176 G C 0.531 175.356 174.900 -0.125 0.000 0.997 176 G CA 0.847 45.866 45.100 -0.135 0.000 0.708 176 G HN 1.814 nan 8.290 nan 0.000 0.520 177 S N 0.122 115.746 115.700 -0.126 0.000 2.546 177 S HA 0.428 4.786 4.470 -0.186 0.000 0.290 177 S C 1.661 176.212 174.600 -0.081 0.000 1.262 177 S CA 1.144 59.278 58.200 -0.110 0.000 1.083 177 S CB 0.888 64.031 63.200 -0.096 0.000 0.859 177 S HN 2.091 nan 8.310 nan 0.000 0.495 178 G N 2.569 111.317 108.800 -0.087 0.000 2.162 178 G HA2 -0.176 3.672 3.960 -0.186 0.000 0.260 178 G HA3 -0.176 3.672 3.960 -0.186 0.000 0.260 178 G C 0.337 175.191 174.900 -0.076 0.000 0.976 178 G CA -0.027 45.027 45.100 -0.077 0.000 0.655 178 G HN 1.088 nan 8.290 nan 0.000 0.533 179 G N -1.541 107.218 108.800 -0.068 0.000 2.887 179 G HA2 1.047 4.896 3.960 -0.186 0.000 0.277 179 G HA3 1.047 4.896 3.960 -0.186 0.000 0.277 179 G C 0.257 175.128 174.900 -0.048 0.000 1.346 179 G CA 0.184 45.251 45.100 -0.056 0.000 1.058 179 G HN 1.800 nan 8.290 nan 0.000 0.535 180 G N -1.819 106.960 108.800 -0.036 0.000 2.337 180 G HA2 0.381 4.230 3.960 -0.186 0.000 0.298 180 G HA3 0.381 4.230 3.960 -0.186 0.000 0.298 180 G C -1.681 173.190 174.900 -0.049 0.000 1.335 180 G CA -0.872 44.211 45.100 -0.029 0.000 0.875 180 G HN 0.681 nan 8.290 nan 0.000 0.579 181 I N 1.180 121.702 120.570 -0.080 0.000 2.336 181 I HA 0.608 4.666 4.170 -0.186 0.000 0.292 181 I C 0.682 176.621 176.117 -0.296 0.000 0.991 181 I CA -0.570 60.604 61.300 -0.211 0.000 1.227 181 I CB 1.900 39.704 38.000 -0.327 0.000 1.366 181 I HN 0.791 nan 8.210 nan 0.000 0.466 182 A N 5.550 128.238 122.820 -0.221 0.000 2.271 182 A HA 0.503 4.711 4.320 -0.186 0.000 0.317 182 A C -0.448 176.909 177.584 -0.378 0.000 1.245 182 A CA -0.295 51.643 52.037 -0.164 0.000 0.857 182 A CB 0.165 19.287 19.000 0.203 0.000 1.175 182 A HN 0.730 nan 8.150 nan 0.000 0.512 183 Y N 1.503 121.698 120.300 -0.175 0.000 2.478 183 Y HA 0.113 4.550 4.550 -0.188 0.000 0.261 183 Y C 0.883 176.456 175.900 -0.545 0.000 1.127 183 Y CA 0.691 58.678 58.100 -0.189 0.000 1.288 183 Y CB 0.186 38.585 38.460 -0.101 0.000 1.084 183 Y HN 0.919 nan 8.280 nan 0.000 0.530 184 N N -2.645 115.540 118.700 -0.859 0.000 3.106 184 N HA 0.193 4.821 4.740 -0.186 0.000 0.253 184 N C 0.281 175.148 175.510 -1.072 0.000 1.506 184 N CA -0.997 51.372 53.050 -1.136 0.000 0.876 184 N CB 0.661 38.938 38.487 -0.351 0.000 1.452 184 N HN -0.233 nan 8.380 nan 0.000 0.542 185 R N -0.093 120.111 120.500 -0.493 0.000 2.115 185 R HA -0.090 4.139 4.340 -0.186 0.000 0.226 185 R C 1.317 177.669 176.300 0.087 0.000 1.100 185 R CA 1.582 57.693 56.100 0.019 0.000 0.980 185 R CB -0.166 30.252 30.300 0.195 0.000 0.875 185 R HN 0.855 nan 8.270 nan 0.000 0.445 186 E N 0.816 121.017 120.200 0.002 0.000 2.023 186 E HA -0.223 4.015 4.350 -0.186 0.000 0.196 186 E C 1.617 178.235 176.600 0.030 0.000 1.003 186 E CA 1.741 58.156 56.400 0.026 0.000 0.809 186 E CB -0.009 29.692 29.700 0.001 0.000 0.755 186 E HN 0.416 nan 8.360 nan 0.000 0.449 187 E N -0.284 119.910 120.200 -0.010 0.000 2.070 187 E HA -0.220 4.018 4.350 -0.186 0.000 0.197 187 E C 1.948 178.561 176.600 0.021 0.000 1.004 187 E CA 1.226 57.622 56.400 -0.007 0.000 0.805 187 E CB -0.333 29.349 29.700 -0.030 0.000 0.744 187 E HN 0.300 nan 8.360 nan 0.000 0.451 188 F N 2.201 122.092 119.950 -0.098 0.000 2.065 188 F HA -0.239 4.177 4.527 -0.186 0.000 0.298 188 F C 2.118 177.929 175.800 0.018 0.000 1.112 188 F CA 1.800 59.796 58.000 -0.005 0.000 1.212 188 F CB -0.089 38.969 39.000 0.097 0.000 0.975 188 F HN -0.053 nan 8.300 nan 0.000 0.476 189 E N -0.370 119.884 120.200 0.091 0.000 2.110 189 E HA -0.262 3.977 4.350 -0.186 0.000 0.193 189 E C 2.219 178.764 176.600 -0.091 0.000 0.988 189 E CA 1.247 57.641 56.400 -0.009 0.000 0.804 189 E CB -0.391 29.377 29.700 0.112 0.000 0.745 189 E HN 0.612 nan 8.360 nan 0.000 0.458 190 E N 1.170 121.332 120.200 -0.063 0.000 2.047 190 E HA -0.193 4.045 4.350 -0.186 0.000 0.191 190 E C 2.158 178.689 176.600 -0.114 0.000 0.987 190 E CA 0.859 57.219 56.400 -0.067 0.000 0.799 190 E CB -0.066 29.612 29.700 -0.036 0.000 0.752 190 E HN 0.219 nan 8.360 nan 0.000 0.449 191 I N 0.910 121.390 120.570 -0.149 0.000 2.142 191 I HA -0.342 3.716 4.170 -0.186 0.000 0.240 191 I C 2.818 178.804 176.117 -0.218 0.000 1.078 191 I CA 1.014 62.213 61.300 -0.168 0.000 1.343 191 I CB -0.421 37.478 38.000 -0.169 0.000 1.046 191 I HN 0.304 nan 8.210 nan 0.000 0.405 192 C N 0.851 119.938 119.300 -0.356 0.000 2.413 192 C HA -0.199 4.149 4.460 -0.186 0.000 0.276 192 C C 3.217 178.097 174.990 -0.184 0.000 1.236 192 C CA 0.988 59.801 59.018 -0.341 0.000 1.735 192 C CB -1.345 26.073 27.740 -0.537 0.000 2.031 192 C HN 0.622 nan 8.230 nan 0.000 0.474 193 A N 0.173 122.906 122.820 -0.145 0.000 1.908 193 A HA -0.243 3.966 4.320 -0.186 0.000 0.218 193 A C 2.248 179.782 177.584 -0.083 0.000 1.181 193 A CA 1.980 53.968 52.037 -0.082 0.000 0.627 193 A CB -0.623 18.342 19.000 -0.057 0.000 0.818 193 A HN 0.674 nan 8.150 nan 0.000 0.445 194 R N -0.845 119.594 120.500 -0.102 0.000 2.075 194 R HA -0.069 4.159 4.340 -0.186 0.000 0.232 194 R C 2.244 178.495 176.300 -0.082 0.000 1.126 194 R CA 1.425 57.467 56.100 -0.097 0.000 0.963 194 R CB -0.551 29.689 30.300 -0.099 0.000 0.858 194 R HN 0.463 nan 8.270 nan 0.000 0.435 195 G N 0.549 109.295 108.800 -0.091 0.000 2.403 195 G HA2 -0.167 3.682 3.960 -0.186 0.000 0.216 195 G HA3 -0.167 3.682 3.960 -0.186 0.000 0.216 195 G C 1.429 176.299 174.900 -0.050 0.000 1.154 195 G CA 0.222 45.277 45.100 -0.073 0.000 0.784 195 G HN 0.195 nan 8.290 nan 0.000 0.538 196 L N 0.234 121.425 121.223 -0.052 0.000 2.042 196 L HA -0.093 4.135 4.340 -0.186 0.000 0.210 196 L C 2.486 179.352 176.870 -0.007 0.000 1.076 196 L CA 1.669 56.495 54.840 -0.023 0.000 0.749 196 L CB -0.259 41.789 42.059 -0.019 0.000 0.893 196 L HN 0.230 nan 8.230 nan 0.000 0.432 197 D N -0.434 119.957 120.400 -0.016 0.000 2.162 197 D HA -0.171 4.357 4.640 -0.186 0.000 0.203 197 D C 2.035 178.332 176.300 -0.005 0.000 0.967 197 D CA 0.530 54.528 54.000 -0.004 0.000 0.840 197 D CB 0.251 41.047 40.800 -0.007 0.000 0.972 197 D HN 0.077 nan 8.370 nan 0.000 0.482 198 L N 0.032 121.245 121.223 -0.018 0.000 2.179 198 L HA 0.161 4.389 4.340 -0.186 0.000 0.208 198 L C 0.730 177.599 176.870 -0.002 0.000 1.096 198 L CA 0.521 55.352 54.840 -0.015 0.000 0.779 198 L CB -0.423 41.617 42.059 -0.031 0.000 0.922 198 L HN -0.119 nan 8.230 nan 0.000 0.443 199 S N 0.148 115.850 115.700 0.004 0.000 2.544 199 S HA 0.050 4.408 4.470 -0.186 0.000 0.290 199 S C -1.391 173.220 174.600 0.018 0.000 1.276 199 S CA -0.899 57.319 58.200 0.030 0.000 1.075 199 S CB 0.486 63.709 63.200 0.039 0.000 0.849 199 S HN 0.112 nan 8.310 nan 0.000 0.494 200 P HA -0.031 nan 4.420 nan 0.000 0.221 200 P C 0.958 178.183 177.300 -0.126 0.000 1.145 200 P CA 1.122 64.185 63.100 -0.063 0.000 0.795 200 P CB -0.085 31.561 31.700 -0.091 0.000 0.775 201 T N -5.298 109.207 114.554 -0.082 0.000 3.129 201 T HA 0.211 4.449 4.350 -0.186 0.000 0.267 201 T C 0.598 175.315 174.700 0.028 0.000 1.018 201 T CA -0.583 61.472 62.100 -0.075 0.000 0.903 201 T CB -0.471 68.346 68.868 -0.085 0.000 1.067 201 T HN -0.077 nan 8.240 nan 0.000 0.549 202 K N 1.114 121.535 120.400 0.035 0.000 3.278 202 K HA -0.203 4.006 4.320 -0.186 0.000 0.270 202 K C -0.518 176.162 176.600 0.133 0.000 0.955 202 K CA 0.688 57.013 56.287 0.064 0.000 0.723 202 K CB -1.008 31.523 32.500 0.053 0.000 1.382 202 K HN 0.848 nan 8.250 nan 0.000 0.461 203 E N 0.684 120.941 120.200 0.096 0.000 2.356 203 E HA 0.557 4.796 4.350 -0.186 0.000 0.275 203 E C -1.074 175.512 176.600 -0.024 0.000 0.904 203 E CA -0.867 55.562 56.400 0.049 0.000 0.757 203 E CB 1.281 31.061 29.700 0.134 0.000 1.232 203 E HN 0.234 nan 8.360 nan 0.000 0.442 204 L N 2.977 124.135 121.223 -0.109 0.000 2.371 204 L HA 0.577 4.806 4.340 -0.186 0.000 0.262 204 L C -1.226 175.592 176.870 -0.086 0.000 1.006 204 L CA -1.232 53.559 54.840 -0.081 0.000 0.818 204 L CB 1.936 43.944 42.059 -0.085 0.000 1.354 204 L HN 0.467 nan 8.230 nan 0.000 0.415 205 L N 2.506 123.699 121.223 -0.049 0.000 2.343 205 L HA 0.591 4.820 4.340 -0.186 0.000 0.278 205 L C -1.084 175.777 176.870 -0.014 0.000 0.996 205 L CA -0.001 54.820 54.840 -0.031 0.000 0.831 205 L CB 1.464 43.512 42.059 -0.019 0.000 1.232 205 L HN 0.345 nan 8.230 nan 0.000 0.413 206 I N 4.475 125.049 120.570 0.006 0.000 2.339 206 I HA 0.414 4.472 4.170 -0.186 0.000 0.290 206 I C -0.842 175.283 176.117 0.013 0.000 0.994 206 I CA -0.067 61.259 61.300 0.043 0.000 1.191 206 I CB 1.366 39.439 38.000 0.121 0.000 1.343 206 I HN 0.573 nan 8.210 nan 0.000 0.458 207 D N 4.390 124.790 120.400 0.000 0.000 2.433 207 D HA 0.346 4.875 4.640 -0.186 0.000 0.236 207 D C -0.574 175.698 176.300 -0.047 0.000 1.026 207 D CA -0.875 53.107 54.000 -0.030 0.000 0.884 207 D CB 0.986 41.759 40.800 -0.046 0.000 1.384 207 D HN 0.553 nan 8.370 nan 0.000 0.477 208 E N -0.096 120.063 120.200 -0.069 0.000 2.418 208 E HA 0.173 4.412 4.350 -0.186 0.000 0.261 208 E C -0.227 176.309 176.600 -0.107 0.000 1.070 208 E CA -0.577 55.773 56.400 -0.083 0.000 0.931 208 E CB 0.738 30.387 29.700 -0.086 0.000 0.954 208 E HN 0.232 nan 8.360 nan 0.000 0.439 209 S N 2.640 118.284 115.700 -0.095 0.000 2.564 209 S HA 0.127 4.485 4.470 -0.186 0.000 0.278 209 S C 0.364 174.837 174.600 -0.213 0.000 1.333 209 S CA -0.612 57.519 58.200 -0.115 0.000 1.048 209 S CB 0.225 63.393 63.200 -0.053 0.000 0.900 209 S HN 0.604 nan 8.310 nan 0.000 0.505 210 L N 4.187 125.238 121.223 -0.287 0.000 3.358 210 L HA 0.381 4.609 4.340 -0.186 0.000 0.301 210 L C -0.266 176.426 176.870 -0.297 0.000 1.276 210 L CA -0.294 54.197 54.840 -0.582 0.000 1.028 210 L CB 0.098 41.703 42.059 -0.757 0.000 1.421 210 L HN 0.639 nan 8.230 nan 0.000 0.604 211 I N 1.180 121.689 120.570 -0.102 0.000 2.826 211 I HA -0.048 4.010 4.170 -0.186 0.000 0.295 211 I C 1.547 177.722 176.117 0.098 0.000 1.213 211 I CA 1.550 62.858 61.300 0.014 0.000 1.436 211 I CB 0.356 38.385 38.000 0.048 0.000 1.348 211 I HN 0.474 nan 8.210 nan 0.000 0.570 212 G N 4.260 113.130 108.800 0.116 0.000 2.213 212 G HA2 -0.228 3.620 3.960 -0.186 0.000 0.236 212 G HA3 -0.228 3.620 3.960 -0.186 0.000 0.236 212 G C -0.087 174.988 174.900 0.291 0.000 0.991 212 G CA -0.576 44.610 45.100 0.145 0.000 0.629 212 G HN 0.502 nan 8.290 nan 0.000 0.517 213 W N 1.847 123.171 121.300 0.040 0.000 2.093 213 W HA 0.626 5.174 4.660 -0.187 0.000 0.352 213 W C 1.112 177.666 176.519 0.058 0.000 1.294 213 W CA -0.659 56.728 57.345 0.069 0.000 1.290 213 W CB 0.376 29.885 29.460 0.082 0.000 1.149 213 W HN 0.044 nan 8.180 nan 0.000 0.606 214 K N 1.301 121.870 120.400 0.282 0.000 2.258 214 K HA 0.117 4.325 4.320 -0.186 0.000 0.264 214 K C -0.338 176.323 176.600 0.103 0.000 1.007 214 K CA -0.264 56.099 56.287 0.126 0.000 0.941 214 K CB 0.693 33.253 32.500 0.099 0.000 0.966 214 K HN 0.363 nan 8.250 nan 0.000 0.480 215 E N 2.389 122.518 120.200 -0.118 0.000 2.165 215 E HA 0.227 4.465 4.350 -0.186 0.000 0.266 215 E C -1.600 174.855 176.600 -0.241 0.000 0.889 215 E CA -0.521 55.843 56.400 -0.061 0.000 0.756 215 E CB 0.672 30.364 29.700 -0.013 0.000 1.131 215 E HN 0.349 nan 8.360 nan 0.000 0.411 216 Y N 1.787 122.184 120.300 0.162 0.000 2.562 216 Y HA 0.468 4.907 4.550 -0.185 0.000 0.343 216 Y C -0.202 175.810 175.900 0.187 0.000 1.025 216 Y CA -0.783 57.413 58.100 0.160 0.000 1.082 216 Y CB 2.217 40.761 38.460 0.141 0.000 1.264 216 Y HN 0.439 nan 8.280 nan 0.000 0.478 217 E N 2.109 122.509 120.200 0.334 0.000 2.356 217 E HA 0.612 4.850 4.350 -0.186 0.000 0.275 217 E C -1.515 175.202 176.600 0.195 0.000 0.904 217 E CA -0.926 55.611 56.400 0.228 0.000 0.757 217 E CB 3.034 32.802 29.700 0.114 0.000 1.232 217 E HN 0.488 nan 8.360 nan 0.000 0.442 218 M N 1.653 121.353 119.600 0.166 0.000 2.327 218 M HA 0.289 4.658 4.480 -0.186 0.000 0.298 218 M C -1.072 175.262 176.300 0.056 0.000 1.065 218 M CA -0.871 54.486 55.300 0.096 0.000 0.916 218 M CB 2.292 34.934 32.600 0.069 0.000 1.630 218 M HN 0.265 nan 8.290 nan 0.000 0.442 219 E N 3.171 123.383 120.200 0.020 0.000 2.089 219 E HA 0.437 4.676 4.350 -0.186 0.000 0.284 219 E C -1.023 175.549 176.600 -0.047 0.000 1.023 219 E CA -0.223 56.174 56.400 -0.005 0.000 0.819 219 E CB 1.339 31.032 29.700 -0.012 0.000 1.076 219 E HN 0.366 nan 8.360 nan 0.000 0.396 220 V N 2.411 122.307 119.914 -0.030 0.000 2.769 220 V HA 0.550 4.559 4.120 -0.186 0.000 0.312 220 V C 0.112 176.180 176.094 -0.042 0.000 1.058 220 V CA -0.964 61.308 62.300 -0.046 0.000 0.952 220 V CB 2.230 34.048 31.823 -0.007 0.000 1.019 220 V HN 0.307 nan 8.190 nan 0.000 0.445 221 V N 3.213 123.095 119.914 -0.054 0.000 2.577 221 V HA 0.619 4.627 4.120 -0.186 0.000 0.303 221 V C -0.289 175.814 176.094 0.015 0.000 1.042 221 V CA -0.638 61.655 62.300 -0.011 0.000 0.872 221 V CB 1.908 33.730 31.823 -0.002 0.000 0.998 221 V HN 0.933 nan 8.190 nan 0.000 0.423 222 R N 2.537 123.059 120.500 0.037 0.000 2.807 222 R HA 0.727 4.955 4.340 -0.186 0.000 0.276 222 R C -1.499 174.835 176.300 0.057 0.000 0.979 222 R CA -0.459 55.666 56.100 0.042 0.000 0.928 222 R CB 2.246 32.566 30.300 0.032 0.000 1.191 222 R HN 0.954 nan 8.270 nan 0.000 0.471 223 D N 0.310 120.745 120.400 0.059 0.000 2.687 223 D HA 0.158 4.686 4.640 -0.186 0.000 0.264 223 D C -0.051 176.280 176.300 0.052 0.000 1.091 223 D CA -0.816 53.223 54.000 0.066 0.000 1.123 223 D CB 0.889 41.742 40.800 0.088 0.000 1.407 223 D HN 0.569 nan 8.370 nan 0.000 0.591 224 K N -0.954 119.477 120.400 0.051 0.000 2.439 224 K HA 0.071 4.279 4.320 -0.186 0.000 0.197 224 K C 0.288 176.910 176.600 0.037 0.000 1.041 224 K CA 0.475 56.785 56.287 0.038 0.000 0.970 224 K CB -0.358 32.160 32.500 0.031 0.000 0.773 224 K HN 0.094 nan 8.250 nan 0.000 0.479 225 N N 1.742 120.469 118.700 0.046 0.000 2.313 225 N HA -0.044 4.585 4.740 -0.186 0.000 0.207 225 N C -0.565 174.968 175.510 0.039 0.000 1.141 225 N CA 0.386 53.461 53.050 0.042 0.000 0.830 225 N CB 0.208 38.725 38.487 0.051 0.000 1.008 225 N HN 0.262 nan 8.380 nan 0.000 0.481 226 D N -0.195 120.227 120.400 0.036 0.000 2.983 226 D HA -0.194 4.334 4.640 -0.186 0.000 0.225 226 D C -0.914 175.407 176.300 0.035 0.000 1.174 226 D CA 0.538 54.557 54.000 0.032 0.000 0.831 226 D CB -1.445 39.370 40.800 0.025 0.000 1.104 226 D HN 0.138 nan 8.370 nan 0.000 0.421 227 N N 0.420 119.146 118.700 0.044 0.000 2.442 227 N HA 0.266 4.894 4.740 -0.186 0.000 0.265 227 N C -0.515 175.023 175.510 0.046 0.000 1.138 227 N CA 0.075 53.155 53.050 0.051 0.000 0.956 227 N CB 1.013 39.540 38.487 0.067 0.000 1.067 227 N HN 0.260 nan 8.380 nan 0.000 0.474 228 C N 4.125 123.446 119.300 0.036 0.000 2.626 228 C HA 0.764 5.113 4.460 -0.186 0.000 0.310 228 C C -0.479 174.511 174.990 0.001 0.000 1.191 228 C CA -0.711 58.319 59.018 0.019 0.000 1.517 228 C CB -0.212 27.537 27.740 0.013 0.000 2.102 228 C HN 0.739 nan 8.230 nan 0.000 0.479 229 I N 2.604 123.154 120.570 -0.034 0.000 2.894 229 I HA 0.636 4.694 4.170 -0.186 0.000 0.302 229 I C -1.264 174.776 176.117 -0.129 0.000 1.188 229 I CA -0.819 60.430 61.300 -0.085 0.000 1.014 229 I CB 1.661 39.574 38.000 -0.145 0.000 1.242 229 I HN 0.225 nan 8.210 nan 0.000 0.430 230 I N 4.672 125.164 120.570 -0.131 0.000 2.297 230 I HA 0.170 4.228 4.170 -0.186 0.000 0.291 230 I C 1.120 177.106 176.117 -0.219 0.000 1.033 230 I CA -0.345 60.881 61.300 -0.124 0.000 1.253 230 I CB 1.292 39.260 38.000 -0.052 0.000 1.396 230 I HN 0.576 nan 8.210 nan 0.000 0.476 231 V N 5.235 124.979 119.914 -0.284 0.000 2.453 231 V HA -0.098 3.910 4.120 -0.186 0.000 0.247 231 V C 0.816 176.780 176.094 -0.217 0.000 1.048 231 V CA 1.071 63.120 62.300 -0.418 0.000 1.049 231 V CB 0.100 31.625 31.823 -0.496 0.000 0.672 231 V HN 0.878 nan 8.190 nan 0.000 0.457 232 C N -0.244 118.995 119.300 -0.101 0.000 3.283 232 C HA 0.575 4.923 4.460 -0.186 0.000 0.359 232 C C -0.268 174.742 174.990 0.033 0.000 1.160 232 C CA -0.412 58.593 59.018 -0.022 0.000 1.232 232 C CB 1.182 28.920 27.740 -0.004 0.000 1.571 232 C HN 0.490 nan 8.230 nan 0.000 0.522 233 S N 4.138 119.889 115.700 0.084 0.000 2.537 233 S HA 0.894 5.252 4.470 -0.186 0.000 0.301 233 S C -0.995 173.695 174.600 0.150 0.000 1.092 233 S CA -0.536 57.745 58.200 0.135 0.000 1.048 233 S CB 1.223 64.565 63.200 0.237 0.000 1.053 233 S HN 0.729 nan 8.310 nan 0.000 0.501 234 I N 1.361 122.043 120.570 0.188 0.000 2.533 234 I HA 0.407 4.466 4.170 -0.186 0.000 0.290 234 I C -0.534 175.719 176.117 0.226 0.000 1.056 234 I CA -0.382 61.022 61.300 0.173 0.000 1.057 234 I CB 2.266 40.336 38.000 0.117 0.000 1.240 234 I HN 0.820 nan 8.210 nan 0.000 0.423 235 E N 6.349 126.660 120.200 0.186 0.000 2.113 235 E HA 0.300 4.538 4.350 -0.186 0.000 0.273 235 E C -0.799 175.809 176.600 0.013 0.000 0.924 235 E CA -0.555 55.877 56.400 0.052 0.000 0.764 235 E CB 0.873 30.691 29.700 0.197 0.000 1.104 235 E HN 0.525 nan 8.360 nan 0.000 0.406 236 N N 4.321 122.950 118.700 -0.119 0.000 2.497 236 N HA 0.008 4.636 4.740 -0.186 0.000 0.268 236 N C 0.296 175.771 175.510 -0.059 0.000 1.171 236 N CA -0.058 52.965 53.050 -0.045 0.000 0.948 236 N CB 0.589 39.043 38.487 -0.055 0.000 1.069 236 N HN 0.557 nan 8.380 nan 0.000 0.460 237 F N 2.444 122.233 119.950 -0.269 0.000 2.128 237 F HA -0.024 4.391 4.527 -0.186 0.000 0.295 237 F C 0.587 176.228 175.800 -0.266 0.000 1.100 237 F CA 0.932 58.602 58.000 -0.549 0.000 1.260 237 F CB 0.273 38.956 39.000 -0.527 0.000 1.009 237 F HN 0.399 nan 8.300 nan 0.000 0.476 238 D N 1.387 121.820 120.400 0.055 0.000 2.256 238 D HA 0.337 4.866 4.640 -0.186 0.000 0.250 238 D C 0.328 176.614 176.300 -0.024 0.000 1.093 238 D CA 0.258 54.266 54.000 0.013 0.000 0.882 238 D CB 1.507 42.396 40.800 0.148 0.000 1.185 238 D HN 0.307 nan 8.370 nan 0.000 0.437 239 A N 2.806 125.604 122.820 -0.037 0.000 2.262 239 A HA 0.230 4.438 4.320 -0.186 0.000 0.273 239 A C 0.741 178.344 177.584 0.032 0.000 1.202 239 A CA -0.420 51.617 52.037 0.001 0.000 0.811 239 A CB 0.213 19.215 19.000 0.003 0.000 1.159 239 A HN 0.525 nan 8.150 nan 0.000 0.505 240 M N -0.300 119.336 119.600 0.061 0.000 2.249 240 M HA 0.300 4.668 4.480 -0.186 0.000 0.340 240 M C 1.359 177.682 176.300 0.038 0.000 1.166 240 M CA 1.816 57.144 55.300 0.047 0.000 1.115 240 M CB -0.089 32.547 32.600 0.059 0.000 1.606 240 M HN 1.412 nan 8.290 nan 0.000 0.448 241 G N 3.148 111.967 108.800 0.030 0.000 2.380 241 G HA2 -0.138 3.710 3.960 -0.186 0.000 0.197 241 G HA3 -0.138 3.710 3.960 -0.186 0.000 0.197 241 G C -0.005 174.940 174.900 0.074 0.000 1.001 241 G CA -0.625 44.502 45.100 0.046 0.000 0.668 241 G HN 0.557 nan 8.290 nan 0.000 0.483 242 I N 2.229 122.847 120.570 0.080 0.000 2.389 242 I HA 0.343 4.402 4.170 -0.186 0.000 0.288 242 I C 0.573 176.767 176.117 0.129 0.000 0.999 242 I CA -1.051 60.322 61.300 0.122 0.000 1.129 242 I CB 1.471 39.546 38.000 0.126 0.000 1.288 242 I HN 0.140 nan 8.210 nan 0.000 0.444 243 H N 4.834 123.948 119.070 0.073 0.000 3.092 243 H HA -0.078 4.367 4.556 -0.185 0.000 0.332 243 H C 1.094 176.458 175.328 0.061 0.000 1.029 243 H CA 1.331 57.412 56.048 0.055 0.000 1.376 243 H CB 1.241 31.033 29.762 0.050 0.000 1.329 243 H HN 0.858 nan 8.280 nan 0.000 0.598 244 T N 0.758 115.181 114.554 -0.218 0.000 2.737 244 T HA -0.162 4.076 4.350 -0.186 0.000 0.269 244 T C 2.118 176.876 174.700 0.097 0.000 1.040 244 T CA 1.160 63.225 62.100 -0.059 0.000 1.142 244 T CB -0.650 68.137 68.868 -0.135 0.000 0.861 244 T HN 0.645 nan 8.240 nan 0.000 0.456 245 G N 0.695 109.669 108.800 0.290 0.000 2.484 245 G HA2 -0.048 3.801 3.960 -0.186 0.000 0.218 245 G HA3 -0.048 3.801 3.960 -0.186 0.000 0.218 245 G C 1.107 176.088 174.900 0.134 0.000 1.130 245 G CA 0.596 45.824 45.100 0.213 0.000 0.784 245 G HN 0.472 nan 8.290 nan 0.000 0.543 246 D N -0.326 120.206 120.400 0.221 0.000 2.369 246 D HA 0.206 4.734 4.640 -0.186 0.000 0.211 246 D C 0.817 177.292 176.300 0.291 0.000 1.077 246 D CA 0.035 54.200 54.000 0.276 0.000 0.842 246 D CB 0.595 41.630 40.800 0.392 0.000 0.947 246 D HN 0.092 nan 8.370 nan 0.000 0.509 247 S N -0.088 115.724 115.700 0.186 0.000 2.646 247 S HA 0.423 4.781 4.470 -0.186 0.000 0.276 247 S C 0.482 175.143 174.600 0.103 0.000 1.222 247 S CA -0.644 57.650 58.200 0.156 0.000 1.014 247 S CB 1.613 64.879 63.200 0.110 0.000 0.991 247 S HN 0.039 nan 8.310 nan 0.000 0.533 248 I N 2.573 123.199 120.570 0.093 0.000 2.474 248 I HA 0.286 4.344 4.170 -0.186 0.000 0.287 248 I C 0.603 176.735 176.117 0.025 0.000 1.048 248 I CA -0.016 61.262 61.300 -0.037 0.000 1.383 248 I CB 0.988 38.785 38.000 -0.339 0.000 1.412 248 I HN 0.690 nan 8.210 nan 0.000 0.531 249 T N 3.518 118.076 114.554 0.006 0.000 2.896 249 T HA 0.736 4.975 4.350 -0.186 0.000 0.297 249 T C -0.615 174.124 174.700 0.066 0.000 1.108 249 T CA -0.752 61.376 62.100 0.046 0.000 1.004 249 T CB 1.974 70.869 68.868 0.045 0.000 1.159 249 T HN 0.468 nan 8.240 nan 0.000 0.499 250 V N -1.479 118.512 119.914 0.128 0.000 2.962 250 V HA 1.024 5.032 4.120 -0.186 0.000 0.313 250 V C -0.658 175.527 176.094 0.152 0.000 1.099 250 V CA -1.123 61.277 62.300 0.166 0.000 0.971 250 V CB 1.308 33.307 31.823 0.294 0.000 1.028 250 V HN 1.614 nan 8.190 nan 0.000 0.430 251 A N 4.433 127.326 122.820 0.122 0.000 2.356 251 A HA 1.031 5.239 4.320 -0.186 0.000 0.310 251 A C -2.836 174.788 177.584 0.068 0.000 1.075 251 A CA -1.765 50.327 52.037 0.091 0.000 0.746 251 A CB 1.708 20.748 19.000 0.065 0.000 1.221 251 A HN 0.788 nan 8.150 nan 0.000 0.443 252 P HA 0.515 nan 4.420 nan 0.000 0.317 252 P C 0.163 177.515 177.300 0.087 0.000 1.307 252 P CA -0.322 62.805 63.100 0.045 0.000 0.749 252 P CB 0.567 32.254 31.700 -0.021 0.000 1.377 253 A N 0.097 122.998 122.820 0.136 0.000 2.466 253 A HA 0.100 4.308 4.320 -0.186 0.000 0.238 253 A C 1.014 178.606 177.584 0.013 0.000 1.074 253 A CA 0.399 52.559 52.037 0.206 0.000 0.774 253 A CB -0.348 18.820 19.000 0.280 0.000 1.015 253 A HN 0.477 nan 8.150 nan 0.000 0.498 254 Q N -0.278 119.473 119.800 -0.082 0.000 2.471 254 Q HA 0.023 4.251 4.340 -0.186 0.000 0.259 254 Q C 1.245 176.924 176.000 -0.536 0.000 0.850 254 Q CA 1.491 57.017 55.803 -0.463 0.000 0.981 254 Q CB 0.003 28.088 28.738 -1.088 0.000 1.180 254 Q HN 0.988 nan 8.270 nan 0.000 0.571 255 T N -1.430 112.915 114.554 -0.348 0.000 3.243 255 T HA 0.487 4.725 4.350 -0.186 0.000 0.264 255 T C 0.405 175.042 174.700 -0.105 0.000 1.000 255 T CA -0.139 61.797 62.100 -0.272 0.000 0.901 255 T CB -0.389 68.356 68.868 -0.204 0.000 1.083 255 T HN -0.097 nan 8.240 nan 0.000 0.559 256 L N 2.679 123.842 121.223 -0.100 0.000 2.317 256 L HA 0.516 4.744 4.340 -0.186 0.000 0.281 256 L C 0.821 177.631 176.870 -0.101 0.000 1.024 256 L CA -1.029 53.748 54.840 -0.104 0.000 0.810 256 L CB 1.919 43.894 42.059 -0.140 0.000 1.240 256 L HN 0.338 nan 8.230 nan 0.000 0.427 257 T N -2.570 111.931 114.554 -0.088 0.000 2.868 257 T HA 0.028 4.266 4.350 -0.186 0.000 0.292 257 T C 0.721 175.385 174.700 -0.061 0.000 1.028 257 T CA -0.558 61.493 62.100 -0.082 0.000 1.059 257 T CB 1.336 70.163 68.868 -0.069 0.000 0.991 257 T HN 0.675 nan 8.240 nan 0.000 0.531 258 D N 0.285 120.640 120.400 -0.075 0.000 2.149 258 D HA -0.133 4.395 4.640 -0.186 0.000 0.198 258 D C 1.961 178.263 176.300 0.004 0.000 0.990 258 D CA 1.383 55.347 54.000 -0.060 0.000 0.839 258 D CB -0.012 40.735 40.800 -0.089 0.000 0.948 258 D HN 0.582 nan 8.370 nan 0.000 0.460 259 K N 0.046 120.431 120.400 -0.025 0.000 2.032 259 K HA -0.173 4.035 4.320 -0.186 0.000 0.209 259 K C 2.194 178.770 176.600 -0.040 0.000 1.048 259 K CA 1.377 57.647 56.287 -0.029 0.000 0.927 259 K CB -0.146 32.330 32.500 -0.040 0.000 0.712 259 K HN 0.359 nan 8.250 nan 0.000 0.441 260 E N -0.300 119.865 120.200 -0.058 0.000 2.106 260 E HA -0.203 4.035 4.350 -0.186 0.000 0.192 260 E C 1.909 178.420 176.600 -0.148 0.000 0.984 260 E CA 0.967 57.299 56.400 -0.113 0.000 0.806 260 E CB -0.163 29.457 29.700 -0.133 0.000 0.750 260 E HN 0.308 nan 8.360 nan 0.000 0.458 261 Y N 1.809 121.977 120.300 -0.219 0.000 2.181 261 Y HA -0.244 4.194 4.550 -0.187 0.000 0.288 261 Y C 2.259 178.042 175.900 -0.196 0.000 1.146 261 Y CA 1.474 59.433 58.100 -0.235 0.000 1.164 261 Y CB 0.165 38.511 38.460 -0.192 0.000 0.982 261 Y HN -0.045 nan 8.280 nan 0.000 0.515 262 Q N 0.207 120.032 119.800 0.042 0.000 2.167 262 Q HA -0.121 4.107 4.340 -0.186 0.000 0.202 262 Q C 2.445 178.367 176.000 -0.130 0.000 0.970 262 Q CA 1.630 57.423 55.803 -0.017 0.000 0.855 262 Q CB -0.371 28.381 28.738 0.023 0.000 0.911 262 Q HN 0.617 nan 8.270 nan 0.000 0.438 263 I N 0.187 120.668 120.570 -0.149 0.000 2.286 263 I HA -0.257 3.801 4.170 -0.186 0.000 0.248 263 I C 2.465 178.427 176.117 -0.260 0.000 1.115 263 I CA 0.943 62.146 61.300 -0.162 0.000 1.392 263 I CB -0.224 37.686 38.000 -0.150 0.000 1.065 263 I HN 0.219 nan 8.210 nan 0.000 0.418 264 M N 0.582 119.931 119.600 -0.418 0.000 2.132 264 M HA -0.228 4.141 4.480 -0.186 0.000 0.263 264 M C 2.549 178.541 176.300 -0.513 0.000 1.065 264 M CA 1.663 56.566 55.300 -0.660 0.000 1.122 264 M CB -0.191 31.881 32.600 -0.879 0.000 1.365 264 M HN 0.090 nan 8.290 nan 0.000 0.411 265 R N 0.230 120.438 120.500 -0.487 0.000 2.096 265 R HA -0.163 4.065 4.340 -0.186 0.000 0.235 265 R C 1.443 177.654 176.300 -0.148 0.000 1.127 265 R CA 2.384 58.290 56.100 -0.323 0.000 0.968 265 R CB -0.470 29.661 30.300 -0.281 0.000 0.861 265 R HN 0.562 nan 8.270 nan 0.000 0.440 266 N N 0.182 118.806 118.700 -0.128 0.000 2.106 266 N HA -0.129 4.499 4.740 -0.186 0.000 0.188 266 N C 1.894 177.390 175.510 -0.023 0.000 1.029 266 N CA 1.092 54.106 53.050 -0.061 0.000 0.848 266 N CB -0.216 38.239 38.487 -0.052 0.000 1.007 266 N HN 0.294 nan 8.380 nan 0.000 0.423 267 A N 0.847 123.651 122.820 -0.026 0.000 1.940 267 A HA -0.150 4.058 4.320 -0.186 0.000 0.219 267 A C 2.337 180.034 177.584 0.187 0.000 1.176 267 A CA 1.540 53.632 52.037 0.092 0.000 0.631 267 A CB -0.655 18.444 19.000 0.165 0.000 0.814 267 A HN 0.192 nan 8.150 nan 0.000 0.446 268 S N -0.290 115.529 115.700 0.198 0.000 2.359 268 S HA -0.196 4.162 4.470 -0.186 0.000 0.224 268 S C 2.058 176.713 174.600 0.091 0.000 1.035 268 S CA 1.868 60.193 58.200 0.208 0.000 1.018 268 S CB -0.423 62.864 63.200 0.144 0.000 0.876 268 S HN 0.608 nan 8.310 nan 0.000 0.448 269 M N 1.024 120.650 119.600 0.043 0.000 2.117 269 M HA -0.103 4.266 4.480 -0.186 0.000 0.262 269 M C 2.542 178.858 176.300 0.026 0.000 1.065 269 M CA 1.485 56.800 55.300 0.024 0.000 1.114 269 M CB -0.768 31.836 32.600 0.007 0.000 1.361 269 M HN 0.392 nan 8.290 nan 0.000 0.408 270 A N 0.231 123.068 122.820 0.028 0.000 1.902 270 A HA -0.089 4.120 4.320 -0.186 0.000 0.217 270 A C 2.317 179.910 177.584 0.013 0.000 1.181 270 A CA 1.543 53.590 52.037 0.017 0.000 0.623 270 A CB -1.008 18.000 19.000 0.014 0.000 0.818 270 A HN 0.287 nan 8.150 nan 0.000 0.443 271 V N -0.305 119.630 119.914 0.035 0.000 2.252 271 V HA -0.293 3.715 4.120 -0.186 0.000 0.249 271 V C 2.537 178.647 176.094 0.028 0.000 1.056 271 V CA 2.231 64.546 62.300 0.025 0.000 1.022 271 V CB -0.784 31.079 31.823 0.067 0.000 0.641 271 V HN 0.525 nan 8.190 nan 0.000 0.445 272 L N -0.520 120.725 121.223 0.038 0.000 2.127 272 L HA -0.158 4.071 4.340 -0.186 0.000 0.211 272 L C 2.574 179.457 176.870 0.021 0.000 1.089 272 L CA 1.881 56.740 54.840 0.033 0.000 0.757 272 L CB -0.674 41.403 42.059 0.030 0.000 0.899 272 L HN 0.259 nan 8.230 nan 0.000 0.434 273 R N -1.007 119.501 120.500 0.014 0.000 2.062 273 R HA -0.165 4.063 4.340 -0.186 0.000 0.229 273 R C 2.190 178.489 176.300 -0.001 0.000 1.128 273 R CA 1.174 57.278 56.100 0.007 0.000 0.960 273 R CB -0.330 29.973 30.300 0.006 0.000 0.855 273 R HN 0.211 nan 8.270 nan 0.000 0.432 274 E N 1.299 121.491 120.200 -0.014 0.000 2.051 274 E HA -0.160 4.078 4.350 -0.186 0.000 0.192 274 E C 1.649 178.236 176.600 -0.022 0.000 0.991 274 E CA 1.198 57.579 56.400 -0.032 0.000 0.799 274 E CB -0.117 29.541 29.700 -0.069 0.000 0.748 274 E HN 0.075 nan 8.360 nan 0.000 0.449 275 I N 0.187 120.753 120.570 -0.008 0.000 2.335 275 I HA -0.032 4.027 4.170 -0.186 0.000 0.251 275 I C 1.810 177.940 176.117 0.020 0.000 1.129 275 I CA 1.707 63.019 61.300 0.021 0.000 1.402 275 I CB -0.784 37.257 38.000 0.068 0.000 1.069 275 I HN 0.408 nan 8.210 nan 0.000 0.424 276 G N -0.222 108.588 108.800 0.016 0.000 2.141 276 G HA2 -0.174 3.674 3.960 -0.186 0.000 0.195 276 G HA3 -0.174 3.674 3.960 -0.186 0.000 0.195 276 G C 0.201 175.112 174.900 0.020 0.000 1.012 276 G CA 0.016 45.126 45.100 0.016 0.000 0.696 276 G HN 0.159 nan 8.290 nan 0.000 0.508 277 V N 0.960 120.888 119.914 0.023 0.000 2.267 277 V HA 0.260 4.268 4.120 -0.186 0.000 0.254 277 V C 1.306 177.415 176.094 0.025 0.000 1.144 277 V CA 0.509 62.824 62.300 0.024 0.000 0.992 277 V CB 0.769 32.608 31.823 0.027 0.000 1.199 277 V HN 0.538 nan 8.190 nan 0.000 0.493 278 E N 2.110 122.324 120.200 0.024 0.000 2.250 278 E HA -0.028 4.210 4.350 -0.186 0.000 0.192 278 E C 1.135 177.755 176.600 0.032 0.000 0.986 278 E CA 1.003 57.419 56.400 0.026 0.000 0.849 278 E CB 0.387 30.100 29.700 0.022 0.000 0.797 278 E HN 0.780 nan 8.360 nan 0.000 0.482 279 T N -1.582 112.991 114.554 0.032 0.000 3.516 279 T HA 0.594 4.832 4.350 -0.186 0.000 0.245 279 T C 0.020 174.747 174.700 0.046 0.000 1.077 279 T CA -0.290 61.834 62.100 0.040 0.000 1.222 279 T CB 0.823 69.709 68.868 0.030 0.000 1.045 279 T HN 0.131 nan 8.240 nan 0.000 0.585 280 G N -0.420 108.410 108.800 0.049 0.000 2.428 280 G HA2 0.612 4.460 3.960 -0.186 0.000 0.304 280 G HA3 0.612 4.460 3.960 -0.186 0.000 0.304 280 G C -0.504 174.427 174.900 0.053 0.000 1.303 280 G CA -0.269 44.864 45.100 0.055 0.000 0.825 280 G HN 0.561 nan 8.290 nan 0.000 0.484 281 G N -0.984 107.850 108.800 0.057 0.000 2.477 281 G HA2 0.632 4.481 3.960 -0.186 0.000 0.304 281 G HA3 0.632 4.481 3.960 -0.186 0.000 0.304 281 G C -0.454 174.471 174.900 0.041 0.000 1.175 281 G CA 0.232 45.361 45.100 0.048 0.000 0.907 281 G HN 1.173 nan 8.290 nan 0.000 0.509 282 S N -0.566 115.152 115.700 0.031 0.000 2.547 282 S HA 0.352 4.711 4.470 -0.186 0.000 0.270 282 S C -1.050 173.562 174.600 0.019 0.000 1.150 282 S CA -0.909 57.306 58.200 0.024 0.000 0.850 282 S CB 1.901 65.113 63.200 0.019 0.000 1.118 282 S HN 0.778 nan 8.310 nan 0.000 0.461 283 N N 1.555 120.260 118.700 0.009 0.000 2.408 283 N HA 0.557 5.186 4.740 -0.186 0.000 0.280 283 N C -1.470 174.018 175.510 -0.036 0.000 1.002 283 N CA -0.236 52.815 53.050 0.001 0.000 0.907 283 N CB 1.329 39.822 38.487 0.010 0.000 1.161 283 N HN 0.378 nan 8.380 nan 0.000 0.488 284 V N 2.846 122.741 119.914 -0.031 0.000 2.604 284 V HA 0.419 4.427 4.120 -0.186 0.000 0.305 284 V C -0.267 175.720 176.094 -0.178 0.000 1.043 284 V CA -0.783 61.439 62.300 -0.130 0.000 0.888 284 V CB 1.709 33.489 31.823 -0.071 0.000 0.995 284 V HN 0.632 nan 8.190 nan 0.000 0.429 285 Q N 2.786 122.362 119.800 -0.374 0.000 2.365 285 Q HA 0.771 5.000 4.340 -0.186 0.000 0.269 285 Q C -1.739 173.971 176.000 -0.482 0.000 1.061 285 Q CA -0.385 55.266 55.803 -0.253 0.000 0.816 285 Q CB 2.825 31.461 28.738 -0.171 0.000 1.325 285 Q HN 0.672 nan 8.270 nan 0.000 0.446 286 F N -0.068 119.941 119.950 0.097 0.000 2.664 286 F HA 0.783 5.199 4.527 -0.186 0.000 0.317 286 F C -0.573 175.344 175.800 0.194 0.000 1.108 286 F CA -1.027 57.055 58.000 0.136 0.000 0.957 286 F CB 1.756 40.839 39.000 0.138 0.000 1.365 286 F HN 0.522 nan 8.300 nan 0.000 0.475 287 A N 0.943 124.044 122.820 0.468 0.000 2.371 287 A HA 0.854 5.062 4.320 -0.186 0.000 0.311 287 A C -1.773 176.153 177.584 0.569 0.000 1.068 287 A CA -0.716 51.602 52.037 0.468 0.000 0.744 287 A CB 1.486 20.712 19.000 0.377 0.000 1.239 287 A HN 0.516 nan 8.150 nan 0.000 0.435 288 V N 2.658 122.882 119.914 0.517 0.000 2.540 288 V HA 0.332 4.340 4.120 -0.186 0.000 0.302 288 V C -0.365 175.704 176.094 -0.042 0.000 1.035 288 V CA -0.917 61.544 62.300 0.268 0.000 0.873 288 V CB 1.936 33.922 31.823 0.271 0.000 0.992 288 V HN 0.910 nan 8.190 nan 0.000 0.428 289 N N 6.952 125.283 118.700 -0.614 0.000 2.406 289 N HA 0.276 4.904 4.740 -0.186 0.000 0.251 289 N C -1.574 173.630 175.510 -0.511 0.000 1.069 289 N CA -2.071 50.220 53.050 -1.266 0.000 0.947 289 N CB 1.865 39.267 38.487 -1.809 0.000 1.111 289 N HN 0.266 nan 8.380 nan 0.000 0.497 290 P HA -0.109 nan 4.420 nan 0.000 0.221 290 P C 0.543 177.767 177.300 -0.127 0.000 1.145 290 P CA 1.341 64.370 63.100 -0.119 0.000 0.795 290 P CB 0.422 32.120 31.700 -0.004 0.000 0.775 291 K N -0.288 120.009 120.400 -0.173 0.000 2.167 291 K HA -0.043 4.165 4.320 -0.186 0.000 0.203 291 K C 1.004 177.533 176.600 -0.118 0.000 1.052 291 K CA 1.446 57.662 56.287 -0.118 0.000 0.956 291 K CB -0.183 32.258 32.500 -0.097 0.000 0.735 291 K HN 0.275 nan 8.250 nan 0.000 0.451 292 N N -2.102 116.501 118.700 -0.163 0.000 2.116 292 N HA 0.101 4.730 4.740 -0.186 0.000 0.230 292 N C 0.620 176.057 175.510 -0.122 0.000 1.326 292 N CA 0.341 53.319 53.050 -0.121 0.000 0.867 292 N CB 0.815 39.240 38.487 -0.104 0.000 1.174 292 N HN 0.088 nan 8.380 nan 0.000 0.506 293 G N 1.078 109.788 108.800 -0.150 0.000 2.175 293 G HA2 -0.425 3.424 3.960 -0.186 0.000 0.265 293 G HA3 -0.425 3.424 3.960 -0.186 0.000 0.265 293 G C 0.095 174.929 174.900 -0.111 0.000 0.979 293 G CA 0.382 45.408 45.100 -0.123 0.000 0.663 293 G HN 0.702 nan 8.290 nan 0.000 0.533 294 R N -0.263 120.154 120.500 -0.139 0.000 2.494 294 R HA 0.274 4.502 4.340 -0.186 0.000 0.291 294 R C -0.027 176.303 176.300 0.050 0.000 0.953 294 R CA -0.075 55.996 56.100 -0.049 0.000 1.098 294 R CB 0.020 30.289 30.300 -0.052 0.000 0.911 294 R HN 0.371 nan 8.270 nan 0.000 0.407 295 L N 6.830 128.118 121.223 0.107 0.000 2.287 295 L HA 0.481 4.709 4.340 -0.186 0.000 0.287 295 L C -0.988 176.039 176.870 0.262 0.000 1.022 295 L CA -0.199 54.736 54.840 0.159 0.000 0.814 295 L CB 1.317 43.384 42.059 0.013 0.000 1.217 295 L HN 0.591 nan 8.230 nan 0.000 0.420 296 I N 5.639 126.430 120.570 0.370 0.000 2.466 296 I HA 0.345 4.403 4.170 -0.186 0.000 0.289 296 I C -0.720 175.605 176.117 0.347 0.000 1.026 296 I CA -1.034 60.457 61.300 0.318 0.000 1.078 296 I CB 2.163 40.315 38.000 0.253 0.000 1.249 296 I HN 0.234 nan 8.210 nan 0.000 0.429 297 V N 6.575 126.634 119.914 0.242 0.000 2.455 297 V HA 0.176 4.184 4.120 -0.186 0.000 0.273 297 V C 1.090 177.205 176.094 0.035 0.000 1.045 297 V CA -0.238 62.101 62.300 0.065 0.000 0.976 297 V CB 1.290 33.144 31.823 0.051 0.000 0.993 297 V HN 0.595 nan 8.190 nan 0.000 0.475 298 I N 2.914 123.425 120.570 -0.098 0.000 2.556 298 I HA 0.196 4.254 4.170 -0.186 0.000 0.251 298 I C 0.969 176.970 176.117 -0.192 0.000 1.105 298 I CA 0.973 62.220 61.300 -0.089 0.000 1.436 298 I CB -0.186 37.757 38.000 -0.095 0.000 1.139 298 I HN 1.023 nan 8.210 nan 0.000 0.438 299 E N 0.873 120.867 120.200 -0.344 0.000 2.421 299 E HA 0.428 4.666 4.350 -0.186 0.000 0.278 299 E C -0.948 175.310 176.600 -0.570 0.000 1.141 299 E CA -0.883 55.078 56.400 -0.732 0.000 0.880 299 E CB 1.260 30.646 29.700 -0.524 0.000 1.381 299 E HN 0.027 nan 8.360 nan 0.000 0.436 300 M N 1.018 120.221 119.600 -0.663 0.000 2.378 300 M HA 0.616 4.985 4.480 -0.186 0.000 0.289 300 M C -2.005 174.155 176.300 -0.234 0.000 1.136 300 M CA -0.456 54.679 55.300 -0.276 0.000 0.917 300 M CB 2.430 35.018 32.600 -0.021 0.000 1.669 300 M HN 0.373 nan 8.290 nan 0.000 0.461 301 N N 4.081 122.702 118.700 -0.132 0.000 2.511 301 N HA 0.370 4.998 4.740 -0.186 0.000 0.249 301 N C -2.558 172.926 175.510 -0.043 0.000 0.971 301 N CA -1.278 51.714 53.050 -0.097 0.000 0.938 301 N CB 1.605 40.057 38.487 -0.058 0.000 1.131 301 N HN 0.549 nan 8.380 nan 0.000 0.505 302 P HA -0.012 nan 4.420 nan 0.000 0.286 302 P C -0.423 176.879 177.300 0.003 0.000 1.577 302 P CA 0.517 63.606 63.100 -0.018 0.000 0.805 302 P CB -0.100 31.583 31.700 -0.029 0.000 1.706 303 R N -2.519 117.995 120.500 0.024 0.000 3.034 303 R HA 0.549 4.777 4.340 -0.186 0.000 0.264 303 R C -0.570 175.791 176.300 0.102 0.000 1.030 303 R CA -1.106 55.028 56.100 0.056 0.000 0.903 303 R CB 0.063 30.393 30.300 0.049 0.000 1.414 303 R HN -0.164 nan 8.270 nan 0.000 0.429 304 V N -0.393 119.618 119.914 0.161 0.000 3.083 304 V HA 0.811 4.819 4.120 -0.186 0.000 0.306 304 V C 0.062 176.349 176.094 0.322 0.000 1.077 304 V CA 0.355 62.778 62.300 0.205 0.000 1.073 304 V CB 1.289 33.230 31.823 0.196 0.000 1.081 304 V HN 1.028 nan 8.190 nan 0.000 0.474 305 S N 2.498 118.320 115.700 0.203 0.000 2.929 305 S HA 0.464 4.822 4.470 -0.186 0.000 0.311 305 S C 0.731 175.279 174.600 -0.086 0.000 1.213 305 S CA -0.431 57.876 58.200 0.179 0.000 0.908 305 S CB 1.377 64.669 63.200 0.153 0.000 1.287 305 S HN 1.123 nan 8.310 nan 0.000 0.594 306 R N 0.271 120.744 120.500 -0.045 0.000 2.153 306 R HA 0.218 4.446 4.340 -0.186 0.000 0.218 306 R C 1.464 177.743 176.300 -0.036 0.000 1.072 306 R CA 1.414 57.450 56.100 -0.106 0.000 0.990 306 R CB -0.704 29.561 30.300 -0.060 0.000 0.889 306 R HN 0.408 nan 8.270 nan 0.000 0.452 307 S N 1.189 116.897 115.700 0.012 0.000 2.406 307 S HA -0.098 4.260 4.470 -0.186 0.000 0.224 307 S C 1.973 176.594 174.600 0.035 0.000 1.030 307 S CA 1.158 59.372 58.200 0.025 0.000 0.958 307 S CB 0.068 63.289 63.200 0.035 0.000 0.811 307 S HN 0.634 nan 8.310 nan 0.000 0.489 308 S N 2.309 118.038 115.700 0.050 0.000 2.382 308 S HA -0.029 4.329 4.470 -0.186 0.000 0.228 308 S C 1.985 176.649 174.600 0.106 0.000 1.027 308 S CA 1.050 59.297 58.200 0.079 0.000 0.991 308 S CB -0.493 62.765 63.200 0.097 0.000 0.823 308 S HN 0.463 nan 8.310 nan 0.000 0.469 309 A N 1.731 124.592 122.820 0.068 0.000 1.898 309 A HA 0.160 4.368 4.320 -0.186 0.000 0.216 309 A C 2.241 179.810 177.584 -0.024 0.000 1.181 309 A CA 1.423 53.492 52.037 0.054 0.000 0.620 309 A CB -0.899 18.069 19.000 -0.054 0.000 0.819 309 A HN 0.580 nan 8.150 nan 0.000 0.442 310 L N -0.030 121.183 121.223 -0.018 0.000 2.017 310 L HA -0.062 4.166 4.340 -0.186 0.000 0.208 310 L C 2.622 179.502 176.870 0.018 0.000 1.073 310 L CA 2.253 57.084 54.840 -0.015 0.000 0.745 310 L CB -0.879 41.178 42.059 -0.004 0.000 0.894 310 L HN 0.339 nan 8.230 nan 0.000 0.432 311 A N -0.981 121.868 122.820 0.048 0.000 1.892 311 A HA -0.258 3.950 4.320 -0.186 0.000 0.218 311 A C 2.374 180.032 177.584 0.123 0.000 1.188 311 A CA 2.380 54.459 52.037 0.070 0.000 0.631 311 A CB -1.196 17.841 19.000 0.061 0.000 0.822 311 A HN 0.586 nan 8.150 nan 0.000 0.447 312 S N -0.369 115.434 115.700 0.170 0.000 2.383 312 S HA -0.141 4.217 4.470 -0.186 0.000 0.229 312 S C 1.997 176.762 174.600 0.275 0.000 1.030 312 S CA 1.705 60.072 58.200 0.279 0.000 1.002 312 S CB -0.213 63.216 63.200 0.382 0.000 0.829 312 S HN 0.466 nan 8.310 nan 0.000 0.467 313 K N 1.765 122.254 120.400 0.147 0.000 2.116 313 K HA 0.284 4.492 4.320 -0.186 0.000 0.203 313 K C 2.151 178.812 176.600 0.102 0.000 1.052 313 K CA 1.015 57.386 56.287 0.140 0.000 0.952 313 K CB -0.938 31.553 32.500 -0.016 0.000 0.729 313 K HN 0.299 nan 8.250 nan 0.000 0.446 314 A N 0.285 123.133 122.820 0.046 0.000 1.873 314 A HA -0.159 4.050 4.320 -0.186 0.000 0.215 314 A C 2.237 179.917 177.584 0.160 0.000 1.186 314 A CA 2.556 54.620 52.037 0.046 0.000 0.616 314 A CB -0.976 18.052 19.000 0.047 0.000 0.823 314 A HN 0.474 nan 8.150 nan 0.000 0.442 315 T N -5.278 109.384 114.554 0.181 0.000 3.010 315 T HA 0.412 4.651 4.350 -0.186 0.000 0.252 315 T C 1.524 176.398 174.700 0.290 0.000 1.047 315 T CA 1.317 63.541 62.100 0.207 0.000 1.140 315 T CB 0.145 69.115 68.868 0.170 0.000 0.885 315 T HN 1.720 nan 8.240 nan 0.000 0.464 316 G N 0.816 109.844 108.800 0.380 0.000 2.184 316 G HA2 -0.151 3.698 3.960 -0.186 0.000 0.206 316 G HA3 -0.151 3.698 3.960 -0.186 0.000 0.206 316 G C -0.210 174.977 174.900 0.480 0.000 0.995 316 G CA -0.175 45.208 45.100 0.471 0.000 0.651 316 G HN 0.585 nan 8.290 nan 0.000 0.511 317 F N 4.093 124.211 119.950 0.280 0.000 2.390 317 F HA 0.577 4.992 4.527 -0.187 0.000 0.361 317 F C -1.851 174.104 175.800 0.258 0.000 1.124 317 F CA -3.067 55.080 58.000 0.245 0.000 1.149 317 F CB 1.435 40.512 39.000 0.128 0.000 1.160 317 F HN -0.077 nan 8.300 nan 0.000 0.501 318 P HA 0.127 nan 4.420 nan 0.000 0.244 318 P C 1.233 178.685 177.300 0.253 0.000 1.769 318 P CA 0.325 63.592 63.100 0.280 0.000 1.102 318 P CB -0.130 31.655 31.700 0.142 0.000 1.937 319 I N 1.544 122.334 120.570 0.367 0.000 2.145 319 I HA -0.362 3.697 4.170 -0.186 0.000 0.244 319 I C 2.332 178.550 176.117 0.168 0.000 1.075 319 I CA 1.994 63.482 61.300 0.314 0.000 1.332 319 I CB -0.744 37.401 38.000 0.242 0.000 1.033 319 I HN 0.186 nan 8.210 nan 0.000 0.410 320 A N 0.443 123.306 122.820 0.072 0.000 1.902 320 A HA -0.241 3.968 4.320 -0.186 0.000 0.217 320 A C 2.325 179.906 177.584 -0.006 0.000 1.181 320 A CA 1.809 53.846 52.037 0.000 0.000 0.623 320 A CB -0.463 18.466 19.000 -0.119 0.000 0.818 320 A HN 0.322 nan 8.150 nan 0.000 0.443 321 K N -0.536 119.848 120.400 -0.026 0.000 1.991 321 K HA -0.103 4.105 4.320 -0.186 0.000 0.212 321 K C 1.931 178.543 176.600 0.019 0.000 1.049 321 K CA 1.667 57.941 56.287 -0.021 0.000 0.932 321 K CB -0.460 32.018 32.500 -0.037 0.000 0.717 321 K HN 0.265 nan 8.250 nan 0.000 0.441 322 V N 1.311 121.255 119.914 0.049 0.000 2.231 322 V HA -0.340 3.668 4.120 -0.186 0.000 0.248 322 V C 2.321 178.478 176.094 0.105 0.000 1.054 322 V CA 2.190 64.539 62.300 0.083 0.000 1.015 322 V CB -0.944 30.983 31.823 0.174 0.000 0.638 322 V HN 0.468 nan 8.190 nan 0.000 0.444 323 A N -0.025 122.864 122.820 0.116 0.000 1.927 323 A HA -0.264 3.944 4.320 -0.186 0.000 0.220 323 A C 2.437 180.061 177.584 0.068 0.000 1.185 323 A CA 2.825 54.919 52.037 0.095 0.000 0.639 323 A CB -1.014 18.039 19.000 0.088 0.000 0.820 323 A HN 0.674 nan 8.150 nan 0.000 0.451 324 A N 0.011 122.860 122.820 0.049 0.000 1.849 324 A HA -0.235 3.973 4.320 -0.186 0.000 0.217 324 A C 2.104 179.716 177.584 0.047 0.000 1.202 324 A CA 2.014 54.068 52.037 0.028 0.000 0.629 324 A CB -0.619 18.390 19.000 0.015 0.000 0.834 324 A HN 0.578 nan 8.150 nan 0.000 0.447 325 K N -0.793 119.668 120.400 0.101 0.000 2.074 325 K HA -0.163 4.045 4.320 -0.186 0.000 0.209 325 K C 1.758 178.505 176.600 0.245 0.000 1.048 325 K CA 1.419 57.851 56.287 0.243 0.000 0.926 325 K CB -0.543 32.078 32.500 0.203 0.000 0.713 325 K HN 0.302 nan 8.250 nan 0.000 0.444 326 L N 1.104 122.426 121.223 0.165 0.000 2.127 326 L HA -0.175 4.053 4.340 -0.186 0.000 0.211 326 L C 2.445 179.355 176.870 0.067 0.000 1.089 326 L CA 1.685 56.606 54.840 0.135 0.000 0.757 326 L CB -0.986 41.141 42.059 0.113 0.000 0.899 326 L HN 0.193 nan 8.230 nan 0.000 0.434 327 A N -0.708 122.131 122.820 0.032 0.000 2.015 327 A HA -0.092 4.116 4.320 -0.186 0.000 0.219 327 A C 1.838 179.377 177.584 -0.075 0.000 1.163 327 A CA 1.514 53.540 52.037 -0.019 0.000 0.646 327 A CB -0.718 18.265 19.000 -0.030 0.000 0.806 327 A HN 0.321 nan 8.150 nan 0.000 0.448 328 V N -4.101 115.746 119.914 -0.113 0.000 3.421 328 V HA 0.588 4.597 4.120 -0.186 0.000 0.316 328 V C 1.168 177.167 176.094 -0.158 0.000 1.347 328 V CA 0.571 62.741 62.300 -0.217 0.000 1.183 328 V CB -0.874 30.639 31.823 -0.516 0.000 1.092 328 V HN 1.272 nan 8.190 nan 0.000 0.433 329 G N -0.909 107.837 108.800 -0.090 0.000 2.232 329 G HA2 -0.268 3.580 3.960 -0.186 0.000 0.226 329 G HA3 -0.268 3.580 3.960 -0.186 0.000 0.226 329 G C -0.101 174.745 174.900 -0.090 0.000 0.996 329 G CA 0.034 45.072 45.100 -0.102 0.000 0.626 329 G HN 0.519 nan 8.290 nan 0.000 0.509 330 Y N 2.238 122.567 120.300 0.048 0.000 2.385 330 Y HA 0.457 4.895 4.550 -0.186 0.000 0.346 330 Y C 1.491 177.422 175.900 0.051 0.000 1.270 330 Y CA 0.860 58.992 58.100 0.053 0.000 1.472 330 Y CB 0.668 39.162 38.460 0.057 0.000 1.354 330 Y HN 0.323 nan 8.280 nan 0.000 0.611 331 T N -1.271 113.458 114.554 0.293 0.000 2.912 331 T HA 0.402 4.640 4.350 -0.186 0.000 0.288 331 T C 0.810 175.604 174.700 0.157 0.000 1.030 331 T CA -0.915 61.291 62.100 0.177 0.000 1.020 331 T CB 1.032 69.976 68.868 0.128 0.000 1.056 331 T HN 0.628 nan 8.240 nan 0.000 0.480 332 L N 1.051 122.358 121.223 0.139 0.000 2.079 332 L HA -0.124 4.104 4.340 -0.186 0.000 0.210 332 L C 2.632 179.574 176.870 0.121 0.000 1.081 332 L CA 1.900 56.829 54.840 0.148 0.000 0.752 332 L CB -0.518 41.644 42.059 0.172 0.000 0.896 332 L HN 0.842 nan 8.230 nan 0.000 0.433 333 D N -0.218 120.245 120.400 0.105 0.000 2.178 333 D HA -0.224 4.304 4.640 -0.186 0.000 0.202 333 D C 1.586 177.919 176.300 0.055 0.000 0.974 333 D CA 1.237 55.283 54.000 0.077 0.000 0.841 333 D CB -0.399 40.441 40.800 0.068 0.000 0.953 333 D HN 0.494 nan 8.370 nan 0.000 0.478 334 E N 0.455 120.700 120.200 0.075 0.000 2.150 334 E HA 0.014 4.252 4.350 -0.186 0.000 0.193 334 E C 0.751 177.331 176.600 -0.033 0.000 0.985 334 E CA 0.293 56.727 56.400 0.057 0.000 0.814 334 E CB -0.017 29.782 29.700 0.165 0.000 0.752 334 E HN 0.359 nan 8.360 nan 0.000 0.466 335 L N 1.345 122.538 121.223 -0.050 0.000 2.375 335 L HA 0.248 4.476 4.340 -0.186 0.000 0.271 335 L C 0.242 177.064 176.870 -0.081 0.000 1.107 335 L CA -0.702 54.070 54.840 -0.113 0.000 0.806 335 L CB 0.522 42.506 42.059 -0.124 0.000 1.146 335 L HN -0.012 nan 8.230 nan 0.000 0.447 336 M N 1.890 121.425 119.600 -0.109 0.000 2.318 336 M HA 0.206 4.574 4.480 -0.186 0.000 0.347 336 M C -0.278 175.943 176.300 -0.132 0.000 1.175 336 M CA -0.705 54.526 55.300 -0.114 0.000 1.075 336 M CB 0.717 33.253 32.600 -0.107 0.000 1.614 336 M HN 0.440 nan 8.290 nan 0.000 0.456 337 N N 1.877 120.479 118.700 -0.163 0.000 2.416 337 N HA -0.009 4.619 4.740 -0.186 0.000 0.265 337 N C 0.478 175.903 175.510 -0.142 0.000 1.195 337 N CA 0.298 53.246 53.050 -0.169 0.000 0.943 337 N CB 0.483 38.858 38.487 -0.187 0.000 1.115 337 N HN 0.437 nan 8.380 nan 0.000 0.481 338 D N 2.708 123.037 120.400 -0.118 0.000 2.177 338 D HA -0.244 4.284 4.640 -0.186 0.000 0.189 338 D C 1.375 177.580 176.300 -0.158 0.000 1.002 338 D CA 1.883 55.832 54.000 -0.085 0.000 0.845 338 D CB -0.104 40.724 40.800 0.047 0.000 0.960 338 D HN 0.787 nan 8.370 nan 0.000 0.447 339 I N -1.479 118.963 120.570 -0.213 0.000 3.749 339 I HA 0.116 4.175 4.170 -0.186 0.000 0.314 339 I C 0.496 176.560 176.117 -0.090 0.000 1.267 339 I CA 0.511 61.690 61.300 -0.203 0.000 1.169 339 I CB -0.289 37.554 38.000 -0.262 0.000 1.009 339 I HN -0.123 nan 8.210 nan 0.000 0.444 340 T N -2.262 112.236 114.554 -0.094 0.000 3.176 340 T HA 0.447 4.685 4.350 -0.186 0.000 0.263 340 T C 1.312 175.966 174.700 -0.078 0.000 1.021 340 T CA 0.120 62.176 62.100 -0.074 0.000 0.905 340 T CB 0.264 69.041 68.868 -0.152 0.000 1.057 340 T HN 0.597 nan 8.240 nan 0.000 0.558 341 G N 0.947 109.703 108.800 -0.074 0.000 2.176 341 G HA2 0.082 3.930 3.960 -0.186 0.000 0.252 341 G HA3 0.082 3.930 3.960 -0.186 0.000 0.252 341 G C 1.139 175.995 174.900 -0.072 0.000 1.024 341 G CA 0.269 45.334 45.100 -0.059 0.000 0.755 341 G HN 1.687 nan 8.290 nan 0.000 0.507 342 G N -1.078 107.663 108.800 -0.098 0.000 2.212 342 G HA2 -0.362 3.486 3.960 -0.186 0.000 0.266 342 G HA3 -0.362 3.486 3.960 -0.186 0.000 0.266 342 G C 1.214 176.034 174.900 -0.135 0.000 0.978 342 G CA 1.088 46.123 45.100 -0.107 0.000 0.632 342 G HN 1.042 nan 8.290 nan 0.000 0.537 343 R N 0.819 121.230 120.500 -0.149 0.000 2.159 343 R HA 0.110 4.338 4.340 -0.186 0.000 0.237 343 R C 1.879 178.020 176.300 -0.266 0.000 1.131 343 R CA 1.904 57.901 56.100 -0.172 0.000 0.982 343 R CB -0.249 29.959 30.300 -0.153 0.000 0.868 343 R HN 0.784 nan 8.270 nan 0.000 0.453 344 T N -3.030 111.310 114.554 -0.357 0.000 2.916 344 T HA 0.574 4.813 4.350 -0.186 0.000 0.292 344 T C -2.761 171.732 174.700 -0.345 0.000 1.055 344 T CA -2.530 59.297 62.100 -0.455 0.000 1.009 344 T CB 2.722 71.108 68.868 -0.804 0.000 1.118 344 T HN -0.240 nan 8.240 nan 0.000 0.497 345 P HA 0.361 nan 4.420 nan 0.000 0.277 345 P C 0.317 177.581 177.300 -0.061 0.000 1.276 345 P CA -0.417 62.605 63.100 -0.130 0.000 0.788 345 P CB 0.384 32.062 31.700 -0.038 0.000 1.114 346 A N -0.424 122.460 122.820 0.106 0.000 2.220 346 A HA 0.083 4.291 4.320 -0.186 0.000 0.211 346 A C 1.014 178.972 177.584 0.622 0.000 1.176 346 A CA 0.359 52.577 52.037 0.302 0.000 0.834 346 A CB -1.053 18.011 19.000 0.106 0.000 0.868 346 A HN 0.552 nan 8.150 nan 0.000 0.488 347 S N 1.054 117.001 115.700 0.411 0.000 3.072 347 S HA 0.539 4.897 4.470 -0.186 0.000 0.306 347 S C -0.407 174.497 174.600 0.506 0.000 1.207 347 S CA -0.382 58.031 58.200 0.355 0.000 1.008 347 S CB -1.204 62.115 63.200 0.198 0.000 1.390 347 S HN 1.118 nan 8.310 nan 0.000 0.523 348 F N -1.734 118.310 119.950 0.157 0.000 2.829 348 F HA 0.527 4.942 4.527 -0.186 0.000 0.319 348 F C -1.849 174.013 175.800 0.102 0.000 1.153 348 F CA -1.346 56.727 58.000 0.122 0.000 0.912 348 F CB 0.479 39.549 39.000 0.116 0.000 1.292 348 F HN 0.275 nan 8.300 nan 0.000 0.447 349 E N 3.294 123.298 120.200 -0.326 0.000 2.113 349 E HA 0.437 4.675 4.350 -0.186 0.000 0.273 349 E C -2.567 173.809 176.600 -0.373 0.000 0.924 349 E CA -1.945 54.212 56.400 -0.405 0.000 0.764 349 E CB 1.394 31.009 29.700 -0.143 0.000 1.104 349 E HN 0.320 nan 8.360 nan 0.000 0.406 350 P HA -0.011 nan 4.420 nan 0.000 0.270 350 P C -0.669 176.627 177.300 -0.005 0.000 1.223 350 P CA -0.268 62.767 63.100 -0.108 0.000 0.785 350 P CB 0.872 32.547 31.700 -0.042 0.000 0.923 351 S N 0.955 116.695 115.700 0.067 0.000 2.547 351 S HA 0.743 5.101 4.470 -0.186 0.000 0.281 351 S C -0.677 173.876 174.600 -0.078 0.000 1.118 351 S CA -0.836 57.355 58.200 -0.015 0.000 0.947 351 S CB 0.120 63.328 63.200 0.013 0.000 1.053 351 S HN 0.394 nan 8.310 nan 0.000 0.482 352 I N 1.198 121.639 120.570 -0.214 0.000 2.646 352 I HA 0.677 4.735 4.170 -0.186 0.000 0.299 352 I C -0.986 174.870 176.117 -0.435 0.000 1.036 352 I CA -0.987 60.029 61.300 -0.473 0.000 1.074 352 I CB 2.277 39.745 38.000 -0.886 0.000 1.258 352 I HN 0.512 nan 8.210 nan 0.000 0.430 353 D N 4.720 124.856 120.400 -0.440 0.000 2.894 353 D HA 0.292 4.820 4.640 -0.186 0.000 0.248 353 D C -0.626 175.677 176.300 0.005 0.000 1.291 353 D CA -0.055 53.867 54.000 -0.129 0.000 0.840 353 D CB -0.378 40.457 40.800 0.057 0.000 1.044 353 D HN 0.671 nan 8.370 nan 0.000 0.484 354 Y N -3.614 116.680 120.300 -0.011 0.000 2.818 354 Y HA 0.613 5.051 4.550 -0.186 0.000 0.341 354 Y C -1.700 174.168 175.900 -0.053 0.000 1.283 354 Y CA -1.795 56.270 58.100 -0.058 0.000 1.075 354 Y CB 0.629 38.940 38.460 -0.247 0.000 1.370 354 Y HN -0.229 nan 8.280 nan 0.000 0.448 355 V N 2.159 122.201 119.914 0.213 0.000 2.407 355 V HA 0.564 4.572 4.120 -0.186 0.000 0.291 355 V C -0.727 175.445 176.094 0.130 0.000 1.018 355 V CA -0.833 61.564 62.300 0.162 0.000 0.842 355 V CB 1.279 33.208 31.823 0.177 0.000 0.996 355 V HN 0.661 nan 8.190 nan 0.000 0.426 356 V N 4.363 124.351 119.914 0.124 0.000 2.407 356 V HA 0.500 4.509 4.120 -0.186 0.000 0.278 356 V C 0.371 176.497 176.094 0.054 0.000 1.037 356 V CA -0.086 62.240 62.300 0.043 0.000 0.900 356 V CB 1.733 33.574 31.823 0.030 0.000 0.983 356 V HN 0.943 nan 8.190 nan 0.000 0.459 357 T N 5.506 120.075 114.554 0.025 0.000 2.829 357 T HA 0.483 4.722 4.350 -0.186 0.000 0.280 357 T C -0.486 174.213 174.700 -0.002 0.000 0.999 357 T CA -0.709 61.406 62.100 0.025 0.000 0.983 357 T CB 1.611 70.488 68.868 0.015 0.000 0.968 357 T HN 0.681 nan 8.240 nan 0.000 0.446 358 K N 3.434 123.826 120.400 -0.013 0.000 2.378 358 K HA 0.626 4.834 4.320 -0.186 0.000 0.252 358 K C -1.559 175.011 176.600 -0.051 0.000 0.931 358 K CA -0.752 55.526 56.287 -0.015 0.000 0.794 358 K CB 1.339 33.838 32.500 -0.002 0.000 1.181 358 K HN 0.606 nan 8.250 nan 0.000 0.425 359 I N 5.236 125.776 120.570 -0.051 0.000 2.436 359 I HA 0.340 4.398 4.170 -0.186 0.000 0.289 359 I C -2.251 173.832 176.117 -0.057 0.000 1.010 359 I CA -2.675 58.586 61.300 -0.065 0.000 1.098 359 I CB 2.093 40.042 38.000 -0.084 0.000 1.266 359 I HN 0.479 nan 8.210 nan 0.000 0.434 360 P HA 0.219 nan 4.420 nan 0.000 0.272 360 P C -0.974 176.113 177.300 -0.356 0.000 1.230 360 P CA -0.547 62.398 63.100 -0.260 0.000 0.788 360 P CB 0.746 32.207 31.700 -0.399 0.000 0.949 361 R N 1.370 121.586 120.500 -0.474 0.000 2.480 361 R HA 0.605 4.833 4.340 -0.186 0.000 0.306 361 R C -1.256 174.749 176.300 -0.493 0.000 0.958 361 R CA -0.400 55.517 56.100 -0.304 0.000 0.861 361 R CB 0.091 30.318 30.300 -0.122 0.000 1.171 361 R HN 0.267 nan 8.270 nan 0.000 0.445 362 F N 1.637 121.593 119.950 0.009 0.000 2.557 362 F HA 0.471 4.879 4.527 -0.198 0.000 0.336 362 F C 0.788 176.529 175.800 -0.098 0.000 1.058 362 F CA -0.780 57.155 58.000 -0.109 0.000 0.988 362 F CB 1.883 40.803 39.000 -0.133 0.000 1.275 362 F HN 0.555 nan 8.300 nan 0.000 0.488 363 N N -0.171 118.535 118.700 0.010 0.000 2.536 363 N HA 0.205 4.834 4.740 -0.186 0.000 0.286 363 N C 0.478 176.039 175.510 0.085 0.000 1.577 363 N CA -0.024 53.065 53.050 0.065 0.000 0.883 363 N CB 0.180 38.758 38.487 0.152 0.000 1.390 363 N HN 0.386 nan 8.380 nan 0.000 0.491 364 F N 1.951 122.009 119.950 0.179 0.000 2.147 364 F HA -0.279 4.124 4.527 -0.207 0.000 0.301 364 F C 2.726 178.529 175.800 0.005 0.000 1.084 364 F CA 1.240 59.285 58.000 0.075 0.000 1.268 364 F CB -0.204 38.806 39.000 0.016 0.000 1.009 364 F HN 0.334 nan 8.300 nan 0.000 0.486 365 E N 1.090 121.375 120.200 0.142 0.000 2.209 365 E HA -0.243 3.995 4.350 -0.186 0.000 0.196 365 E C 1.562 178.093 176.600 -0.115 0.000 0.993 365 E CA 1.439 57.848 56.400 0.015 0.000 0.819 365 E CB -0.710 28.983 29.700 -0.010 0.000 0.745 365 E HN 0.448 nan 8.360 nan 0.000 0.477 366 K N -0.163 120.071 120.400 -0.276 0.000 2.418 366 K HA 0.075 4.283 4.320 -0.186 0.000 0.195 366 K C -0.080 175.961 176.600 -0.931 0.000 1.035 366 K CA 0.268 56.172 56.287 -0.639 0.000 1.003 366 K CB 0.143 32.105 32.500 -0.896 0.000 0.793 366 K HN 0.104 nan 8.250 nan 0.000 0.494 367 F N 0.076 119.963 119.950 -0.104 0.000 2.449 367 F HA 0.323 4.842 4.527 -0.013 0.000 0.344 367 F C 1.088 176.854 175.800 -0.057 0.000 1.180 367 F CA -0.811 57.110 58.000 -0.132 0.000 1.209 367 F CB 0.605 39.307 39.000 -0.498 0.000 1.440 367 F HN -0.142 nan 8.300 nan 0.000 0.526 368 A N 1.635 124.483 122.820 0.047 0.000 1.873 368 A HA -0.144 4.064 4.320 -0.186 0.000 0.218 368 A C 2.425 180.043 177.584 0.056 0.000 1.193 368 A CA 2.230 54.289 52.037 0.036 0.000 0.629 368 A CB -1.137 17.869 19.000 0.011 0.000 0.826 368 A HN 0.731 nan 8.150 nan 0.000 0.447 369 G N -1.109 107.740 108.800 0.081 0.000 2.744 369 G HA2 0.368 4.216 3.960 -0.186 0.000 0.211 369 G HA3 0.368 4.216 3.960 -0.186 0.000 0.211 369 G C 0.686 175.643 174.900 0.095 0.000 1.143 369 G CA 0.695 45.839 45.100 0.073 0.000 0.788 369 G HN 0.863 nan 8.290 nan 0.000 0.534 370 A N 0.533 123.433 122.820 0.134 0.000 2.445 370 A HA 0.360 4.568 4.320 -0.186 0.000 0.242 370 A C 0.535 178.177 177.584 0.096 0.000 1.075 370 A CA -0.471 51.666 52.037 0.167 0.000 0.777 370 A CB 0.232 19.326 19.000 0.157 0.000 1.013 370 A HN 0.254 nan 8.150 nan 0.000 0.493 371 N N 1.247 120.024 118.700 0.127 0.000 2.431 371 N HA 0.017 4.645 4.740 -0.186 0.000 0.265 371 N C -0.442 175.040 175.510 -0.046 0.000 1.184 371 N CA 0.086 53.154 53.050 0.031 0.000 0.943 371 N CB 0.883 39.408 38.487 0.063 0.000 1.080 371 N HN 0.591 nan 8.380 nan 0.000 0.477 372 D N 2.213 122.391 120.400 -0.371 0.000 2.388 372 D HA 0.071 4.600 4.640 -0.186 0.000 0.221 372 D C -0.164 175.672 176.300 -0.773 0.000 1.133 372 D CA -0.145 53.183 54.000 -1.120 0.000 0.831 372 D CB 0.164 40.225 40.800 -1.231 0.000 0.962 372 D HN 0.174 nan 8.370 nan 0.000 0.502 373 R N 0.808 121.119 120.500 -0.314 0.000 2.349 373 R HA 0.402 4.631 4.340 -0.186 0.000 0.299 373 R C 0.224 176.501 176.300 -0.039 0.000 1.027 373 R CA -0.710 55.288 56.100 -0.170 0.000 0.958 373 R CB 1.185 31.431 30.300 -0.090 0.000 1.047 373 R HN 0.195 nan 8.270 nan 0.000 0.468 374 L N 1.466 122.687 121.223 -0.003 0.000 2.416 374 L HA 0.252 4.481 4.340 -0.186 0.000 0.272 374 L C 1.266 178.208 176.870 0.120 0.000 1.161 374 L CA 0.218 55.121 54.840 0.106 0.000 0.845 374 L CB 0.667 42.798 42.059 0.120 0.000 1.119 374 L HN 0.622 nan 8.230 nan 0.000 0.464 375 T N -0.994 113.650 114.554 0.149 0.000 2.564 375 T HA 0.193 4.431 4.350 -0.186 0.000 0.265 375 T C 1.020 175.803 174.700 0.137 0.000 0.908 375 T CA 0.385 62.561 62.100 0.127 0.000 1.166 375 T CB 1.184 70.117 68.868 0.108 0.000 1.497 375 T HN 0.727 nan 8.240 nan 0.000 0.484 376 T N -0.504 114.113 114.554 0.106 0.000 3.088 376 T HA 0.170 4.408 4.350 -0.186 0.000 0.259 376 T C 0.753 175.526 174.700 0.122 0.000 1.122 376 T CA 0.404 62.585 62.100 0.135 0.000 1.095 376 T CB -0.126 68.791 68.868 0.082 0.000 0.930 376 T HN 0.505 nan 8.240 nan 0.000 0.508 377 Q N 1.232 121.056 119.800 0.040 0.000 2.303 377 Q HA 0.390 4.618 4.340 -0.186 0.000 0.257 377 Q C -0.545 175.411 176.000 -0.072 0.000 0.941 377 Q CA -0.516 55.250 55.803 -0.062 0.000 0.931 377 Q CB 0.868 29.568 28.738 -0.064 0.000 1.215 377 Q HN 0.426 nan 8.270 nan 0.000 0.437 378 M N 3.595 123.057 119.600 -0.229 0.000 2.245 378 M HA -0.065 4.303 4.480 -0.186 0.000 0.335 378 M C 0.496 176.764 176.300 -0.054 0.000 1.155 378 M CA 1.366 56.585 55.300 -0.135 0.000 1.055 378 M CB 0.434 32.889 32.600 -0.242 0.000 1.670 378 M HN 0.586 nan 8.290 nan 0.000 0.447 379 K N -0.040 120.426 120.400 0.110 0.000 2.558 379 K HA 0.118 4.326 4.320 -0.186 0.000 0.215 379 K C -0.032 176.661 176.600 0.155 0.000 1.298 379 K CA -0.099 56.291 56.287 0.171 0.000 1.008 379 K CB 0.843 33.624 32.500 0.470 0.000 1.073 379 K HN 0.762 nan 8.250 nan 0.000 0.606 380 S N 0.465 116.167 115.700 0.003 0.000 2.592 380 S HA 0.128 4.487 4.470 -0.186 0.000 0.271 380 S C 1.219 175.696 174.600 -0.205 0.000 1.326 380 S CA -0.686 57.285 58.200 -0.381 0.000 1.024 380 S CB 1.521 64.257 63.200 -0.774 0.000 0.921 380 S HN 0.041 nan 8.310 nan 0.000 0.527 381 V N -1.436 118.361 119.914 -0.194 0.000 3.621 381 V HA 0.613 4.621 4.120 -0.186 0.000 0.263 381 V C 0.827 176.865 176.094 -0.094 0.000 1.272 381 V CA 0.681 62.924 62.300 -0.095 0.000 1.080 381 V CB -0.794 31.011 31.823 -0.031 0.000 0.816 381 V HN 1.098 nan 8.190 nan 0.000 0.451 382 G N 0.450 109.163 108.800 -0.145 0.000 2.731 382 G HA2 0.719 4.567 3.960 -0.186 0.000 0.309 382 G HA3 0.719 4.567 3.960 -0.186 0.000 0.309 382 G C -1.688 173.125 174.900 -0.144 0.000 1.273 382 G CA -0.084 44.950 45.100 -0.110 0.000 0.798 382 G HN 0.636 nan 8.290 nan 0.000 0.509 383 E N -2.111 118.034 120.200 -0.090 0.000 2.388 383 E HA 0.521 4.759 4.350 -0.186 0.000 0.281 383 E C -2.047 174.540 176.600 -0.022 0.000 1.046 383 E CA -0.908 55.448 56.400 -0.073 0.000 0.825 383 E CB 2.121 31.783 29.700 -0.063 0.000 1.243 383 E HN 0.836 nan 8.360 nan 0.000 0.438 384 V N 2.486 122.400 119.914 0.001 0.000 2.864 384 V HA 0.767 4.775 4.120 -0.186 0.000 0.314 384 V C -1.004 175.144 176.094 0.091 0.000 1.073 384 V CA -0.731 61.597 62.300 0.047 0.000 0.956 384 V CB 1.946 33.789 31.823 0.034 0.000 1.023 384 V HN 0.849 nan 8.190 nan 0.000 0.435 385 M N 5.465 125.193 119.600 0.215 0.000 2.591 385 M HA 0.920 5.289 4.480 -0.186 0.000 0.306 385 M C -1.119 175.341 176.300 0.268 0.000 1.190 385 M CA -0.406 55.024 55.300 0.217 0.000 0.889 385 M CB 2.101 34.821 32.600 0.200 0.000 1.728 385 M HN 0.898 nan 8.290 nan 0.000 0.458 386 A N 3.780 126.655 122.820 0.092 0.000 2.539 386 A HA 0.852 5.060 4.320 -0.186 0.000 0.296 386 A C -1.598 175.952 177.584 -0.057 0.000 1.073 386 A CA -0.795 51.291 52.037 0.082 0.000 0.700 386 A CB 1.548 20.597 19.000 0.082 0.000 1.296 386 A HN 0.866 nan 8.150 nan 0.000 0.405 387 I N 1.127 121.637 120.570 -0.101 0.000 2.436 387 I HA 0.650 4.709 4.170 -0.186 0.000 0.289 387 I C 0.433 176.425 176.117 -0.209 0.000 1.010 387 I CA -0.499 60.600 61.300 -0.335 0.000 1.098 387 I CB 2.212 39.732 38.000 -0.800 0.000 1.266 387 I HN 0.810 nan 8.210 nan 0.000 0.434 388 G N 4.098 112.810 108.800 -0.147 0.000 2.672 388 G HA2 0.393 4.242 3.960 -0.186 0.000 0.292 388 G HA3 0.393 4.242 3.960 -0.186 0.000 0.292 388 G C 0.100 175.052 174.900 0.087 0.000 1.375 388 G CA -0.478 44.641 45.100 0.032 0.000 0.890 388 G HN 0.458 nan 8.290 nan 0.000 0.476 389 R N -0.802 119.812 120.500 0.189 0.000 2.236 389 R HA 0.074 4.302 4.340 -0.186 0.000 0.208 389 R C 0.875 177.270 176.300 0.159 0.000 1.036 389 R CA 1.199 57.428 56.100 0.214 0.000 1.001 389 R CB -0.069 30.368 30.300 0.229 0.000 0.896 389 R HN 0.719 nan 8.270 nan 0.000 0.464 390 T N -4.272 110.363 114.554 0.135 0.000 2.896 390 T HA 0.166 4.405 4.350 -0.186 0.000 0.297 390 T C 0.636 175.408 174.700 0.121 0.000 1.108 390 T CA -0.865 61.308 62.100 0.121 0.000 1.004 390 T CB 2.282 71.202 68.868 0.086 0.000 1.159 390 T HN -0.205 nan 8.240 nan 0.000 0.499 391 Q N 0.747 120.634 119.800 0.145 0.000 2.152 391 Q HA -0.178 4.050 4.340 -0.186 0.000 0.206 391 Q C 2.107 178.171 176.000 0.107 0.000 0.985 391 Q CA 2.176 58.084 55.803 0.176 0.000 0.863 391 Q CB -0.486 28.384 28.738 0.220 0.000 0.904 391 Q HN 0.814 nan 8.270 nan 0.000 0.422 392 Q N -0.297 119.531 119.800 0.046 0.000 2.016 392 Q HA -0.195 4.034 4.340 -0.186 0.000 0.200 392 Q C 2.075 178.081 176.000 0.010 0.000 0.978 392 Q CA 1.582 57.395 55.803 0.017 0.000 0.833 392 Q CB -0.202 28.522 28.738 -0.024 0.000 0.895 392 Q HN 0.599 nan 8.270 nan 0.000 0.427 393 E N 0.140 120.356 120.200 0.027 0.000 2.077 393 E HA -0.196 4.042 4.350 -0.186 0.000 0.193 393 E C 2.075 178.700 176.600 0.041 0.000 0.989 393 E CA 1.224 57.643 56.400 0.033 0.000 0.800 393 E CB -0.050 29.700 29.700 0.083 0.000 0.746 393 E HN 0.144 nan 8.360 nan 0.000 0.452 394 S N -0.008 115.726 115.700 0.057 0.000 2.348 394 S HA -0.173 4.185 4.470 -0.186 0.000 0.221 394 S C 1.965 176.578 174.600 0.023 0.000 1.033 394 S CA 1.232 59.461 58.200 0.047 0.000 1.010 394 S CB -0.402 62.839 63.200 0.069 0.000 0.891 394 S HN 0.372 nan 8.310 nan 0.000 0.442 395 L N 2.012 123.252 121.223 0.028 0.000 2.012 395 L HA -0.101 4.128 4.340 -0.186 0.000 0.210 395 L C 2.478 179.295 176.870 -0.089 0.000 1.073 395 L CA 2.005 56.833 54.840 -0.020 0.000 0.748 395 L CB -1.040 41.048 42.059 0.048 0.000 0.891 395 L HN 0.402 nan 8.230 nan 0.000 0.431 396 Q N -0.599 119.158 119.800 -0.070 0.000 2.119 396 Q HA -0.216 4.012 4.340 -0.186 0.000 0.201 396 Q C 2.219 178.167 176.000 -0.087 0.000 0.972 396 Q CA 1.563 57.286 55.803 -0.134 0.000 0.847 396 Q CB -0.170 28.473 28.738 -0.158 0.000 0.903 396 Q HN 0.579 nan 8.270 nan 0.000 0.433 397 K N 0.732 121.116 120.400 -0.027 0.000 2.057 397 K HA -0.130 4.079 4.320 -0.186 0.000 0.207 397 K C 2.171 178.779 176.600 0.012 0.000 1.049 397 K CA 1.185 57.485 56.287 0.021 0.000 0.931 397 K CB -0.201 32.339 32.500 0.066 0.000 0.714 397 K HN 0.130 nan 8.250 nan 0.000 0.440 398 A N 1.499 124.311 122.820 -0.012 0.000 1.883 398 A HA -0.164 4.044 4.320 -0.186 0.000 0.217 398 A C 2.145 179.702 177.584 -0.045 0.000 1.186 398 A CA 1.357 53.383 52.037 -0.018 0.000 0.624 398 A CB -0.716 18.259 19.000 -0.042 0.000 0.822 398 A HN 0.174 nan 8.150 nan 0.000 0.444 399 L N -0.466 120.688 121.223 -0.117 0.000 2.083 399 L HA -0.227 4.002 4.340 -0.186 0.000 0.209 399 L C 2.793 179.664 176.870 0.002 0.000 1.083 399 L CA 1.901 56.676 54.840 -0.108 0.000 0.752 399 L CB -0.413 41.456 42.059 -0.316 0.000 0.899 399 L HN 0.625 nan 8.230 nan 0.000 0.433 400 R N -0.224 120.269 120.500 -0.013 0.000 2.236 400 R HA 0.005 4.233 4.340 -0.186 0.000 0.208 400 R C 1.774 178.090 176.300 0.026 0.000 1.036 400 R CA 1.096 57.207 56.100 0.018 0.000 1.001 400 R CB -0.533 29.779 30.300 0.021 0.000 0.896 400 R HN 0.178 nan 8.270 nan 0.000 0.464 401 G N 0.665 109.482 108.800 0.027 0.000 3.088 401 G HA2 -0.017 3.831 3.960 -0.186 0.000 0.217 401 G HA3 -0.017 3.831 3.960 -0.186 0.000 0.217 401 G C 0.978 175.892 174.900 0.024 0.000 1.159 401 G CA -0.371 44.745 45.100 0.027 0.000 0.760 401 G HN 0.218 nan 8.290 nan 0.000 0.550 402 L N 0.255 121.501 121.223 0.038 0.000 2.456 402 L HA 0.109 4.337 4.340 -0.186 0.000 0.224 402 L C 1.148 178.041 176.870 0.038 0.000 1.148 402 L CA 0.871 55.743 54.840 0.053 0.000 0.825 402 L CB -0.085 42.041 42.059 0.112 0.000 0.937 402 L HN 0.171 nan 8.230 nan 0.000 0.450 403 E N -1.212 118.999 120.200 0.017 0.000 2.791 403 E HA -0.197 4.041 4.350 -0.186 0.000 0.271 403 E C 0.842 177.438 176.600 -0.007 0.000 1.044 403 E CA 1.024 57.421 56.400 -0.005 0.000 0.814 403 E CB -2.269 27.420 29.700 -0.018 0.000 1.400 403 E HN 0.484 nan 8.360 nan 0.000 0.423 404 V N -4.116 115.798 119.914 -0.000 0.000 3.319 404 V HA 0.620 4.628 4.120 -0.186 0.000 0.317 404 V C 1.328 177.371 176.094 -0.085 0.000 1.411 404 V CA 0.855 63.135 62.300 -0.034 0.000 1.112 404 V CB 0.559 32.360 31.823 -0.037 0.000 1.031 404 V HN 0.527 nan 8.190 nan 0.000 0.448 405 G N 0.075 108.839 108.800 -0.060 0.000 2.159 405 G HA2 -0.074 3.775 3.960 -0.186 0.000 0.256 405 G HA3 -0.074 3.775 3.960 -0.186 0.000 0.256 405 G C 0.372 175.221 174.900 -0.086 0.000 0.977 405 G CA 0.251 45.307 45.100 -0.073 0.000 0.652 405 G HN 1.675 nan 8.290 nan 0.000 0.531 406 A N 0.013 122.789 122.820 -0.072 0.000 2.316 406 A HA 0.789 4.997 4.320 -0.186 0.000 0.284 406 A C 1.322 178.921 177.584 0.025 0.000 1.115 406 A CA 1.074 53.087 52.037 -0.040 0.000 0.812 406 A CB 0.686 19.741 19.000 0.091 0.000 1.064 406 A HN 1.464 nan 8.150 nan 0.000 0.489 407 T N -1.260 113.320 114.554 0.042 0.000 3.085 407 T HA 0.542 4.781 4.350 -0.186 0.000 0.264 407 T C 0.831 175.570 174.700 0.066 0.000 1.019 407 T CA 0.887 63.018 62.100 0.052 0.000 0.910 407 T CB -0.250 68.652 68.868 0.057 0.000 1.059 407 T HN 2.265 nan 8.240 nan 0.000 0.542 408 G N 1.452 110.294 108.800 0.070 0.000 2.295 408 G HA2 0.161 4.009 3.960 -0.186 0.000 0.155 408 G HA3 0.161 4.009 3.960 -0.186 0.000 0.155 408 G C -1.197 173.718 174.900 0.025 0.000 1.307 408 G CA -0.815 44.272 45.100 -0.022 0.000 1.140 408 G HN 0.147 nan 8.290 nan 0.000 0.470 409 F N 3.656 123.717 119.950 0.185 0.000 2.705 409 F HA 0.270 4.686 4.527 -0.184 0.000 0.355 409 F C 0.672 176.658 175.800 0.311 0.000 1.172 409 F CA -0.420 57.733 58.000 0.255 0.000 1.332 409 F CB -0.235 38.839 39.000 0.123 0.000 1.621 409 F HN 0.071 nan 8.300 nan 0.000 0.605 410 D N 2.620 123.260 120.400 0.399 0.000 2.472 410 D HA 0.027 4.555 4.640 -0.186 0.000 0.237 410 D C -2.150 174.239 176.300 0.148 0.000 1.141 410 D CA -0.780 53.326 54.000 0.177 0.000 0.875 410 D CB 0.588 41.383 40.800 -0.008 0.000 1.192 410 D HN 0.096 nan 8.370 nan 0.000 0.450 411 P HA 0.114 nan 4.420 nan 0.000 0.271 411 P C 0.261 177.522 177.300 -0.065 0.000 1.216 411 P CA -0.138 62.984 63.100 0.037 0.000 0.771 411 P CB 0.972 32.697 31.700 0.042 0.000 0.864 412 K N 1.595 121.916 120.400 -0.131 0.000 2.313 412 K HA 0.120 4.328 4.320 -0.186 0.000 0.197 412 K C 0.377 176.914 176.600 -0.106 0.000 1.061 412 K CA 0.487 56.625 56.287 -0.248 0.000 0.980 412 K CB 0.404 32.500 32.500 -0.674 0.000 0.888 412 K HN 0.412 nan 8.250 nan 0.000 0.502 413 V N -2.329 117.565 119.914 -0.033 0.000 2.914 413 V HA 0.502 4.511 4.120 -0.186 0.000 0.314 413 V C -0.149 175.969 176.094 0.040 0.000 1.084 413 V CA -1.173 61.157 62.300 0.050 0.000 0.963 413 V CB 1.763 33.667 31.823 0.135 0.000 1.025 413 V HN -0.098 nan 8.190 nan 0.000 0.432 414 S N 1.407 117.131 115.700 0.040 0.000 2.562 414 S HA 0.378 4.736 4.470 -0.186 0.000 0.281 414 S C 1.002 175.627 174.600 0.041 0.000 1.333 414 S CA -0.348 57.873 58.200 0.034 0.000 1.052 414 S CB 0.420 63.636 63.200 0.027 0.000 0.884 414 S HN 0.763 nan 8.310 nan 0.000 0.506 415 L N 2.515 123.761 121.223 0.038 0.000 2.027 415 L HA -0.119 4.109 4.340 -0.186 0.000 0.206 415 L C 1.717 178.609 176.870 0.036 0.000 1.074 415 L CA 1.431 56.296 54.840 0.041 0.000 0.745 415 L CB -0.446 41.637 42.059 0.040 0.000 0.898 415 L HN 0.700 nan 8.230 nan 0.000 0.433 416 D N -1.600 118.818 120.400 0.030 0.000 2.363 416 D HA -0.111 4.417 4.640 -0.186 0.000 0.226 416 D C 0.477 176.792 176.300 0.025 0.000 1.020 416 D CA 0.045 54.060 54.000 0.025 0.000 0.892 416 D CB -0.684 40.129 40.800 0.020 0.000 0.900 416 D HN 0.174 nan 8.370 nan 0.000 0.531 417 D N 1.182 121.600 120.400 0.029 0.000 2.338 417 D HA 0.049 4.577 4.640 -0.186 0.000 0.255 417 D C -1.277 175.040 176.300 0.029 0.000 1.237 417 D CA -1.957 52.061 54.000 0.029 0.000 0.883 417 D CB 1.322 42.142 40.800 0.034 0.000 1.087 417 D HN -0.110 nan 8.370 nan 0.000 0.485 418 P HA -0.118 nan 4.420 nan 0.000 0.220 418 P C 0.493 177.804 177.300 0.019 0.000 1.148 418 P CA 1.039 64.150 63.100 0.019 0.000 0.803 418 P CB 0.333 32.042 31.700 0.014 0.000 0.782 419 E N -1.119 119.093 120.200 0.020 0.000 2.481 419 E HA 0.195 4.433 4.350 -0.186 0.000 0.198 419 E C 1.888 178.503 176.600 0.024 0.000 1.027 419 E CA 0.043 56.453 56.400 0.016 0.000 0.900 419 E CB -0.008 29.698 29.700 0.011 0.000 0.993 419 E HN 0.096 nan 8.360 nan 0.000 0.482 420 A N 1.678 124.521 122.820 0.038 0.000 1.884 420 A HA -0.230 3.978 4.320 -0.186 0.000 0.219 420 A C 2.123 179.739 177.584 0.053 0.000 1.197 420 A CA 1.258 53.330 52.037 0.059 0.000 0.637 420 A CB -0.782 18.258 19.000 0.066 0.000 0.827 420 A HN 0.241 nan 8.150 nan 0.000 0.450 421 L N -0.935 120.311 121.223 0.038 0.000 2.187 421 L HA -0.184 4.045 4.340 -0.186 0.000 0.213 421 L C 2.667 179.542 176.870 0.007 0.000 1.100 421 L CA 1.714 56.571 54.840 0.028 0.000 0.765 421 L CB -0.675 41.399 42.059 0.024 0.000 0.904 421 L HN 0.425 nan 8.230 nan 0.000 0.437 422 T N -0.725 113.829 114.554 0.001 0.000 2.851 422 T HA -0.103 4.135 4.350 -0.186 0.000 0.262 422 T C 1.871 176.541 174.700 -0.050 0.000 1.043 422 T CA 0.945 63.032 62.100 -0.021 0.000 1.140 422 T CB 0.125 68.982 68.868 -0.018 0.000 0.872 422 T HN 0.301 nan 8.240 nan 0.000 0.446 423 K N 1.041 121.415 120.400 -0.043 0.000 2.002 423 K HA 0.034 4.242 4.320 -0.186 0.000 0.209 423 K C 2.129 178.603 176.600 -0.211 0.000 1.048 423 K CA 1.212 57.437 56.287 -0.104 0.000 0.930 423 K CB -0.387 32.101 32.500 -0.021 0.000 0.714 423 K HN 0.249 nan 8.250 nan 0.000 0.438 424 I N 1.097 121.618 120.570 -0.082 0.000 2.145 424 I HA -0.365 3.693 4.170 -0.186 0.000 0.244 424 I C 2.805 178.855 176.117 -0.111 0.000 1.075 424 I CA 1.387 62.662 61.300 -0.041 0.000 1.332 424 I CB -0.273 37.775 38.000 0.080 0.000 1.033 424 I HN 0.214 nan 8.210 nan 0.000 0.410 425 R N 0.671 121.122 120.500 -0.081 0.000 2.081 425 R HA -0.194 4.034 4.340 -0.186 0.000 0.235 425 R C 2.560 178.793 176.300 -0.112 0.000 1.131 425 R CA 1.282 57.336 56.100 -0.077 0.000 0.960 425 R CB -0.241 30.029 30.300 -0.051 0.000 0.856 425 R HN 0.246 nan 8.270 nan 0.000 0.436 426 R N 0.867 121.281 120.500 -0.144 0.000 2.073 426 R HA -0.118 4.110 4.340 -0.186 0.000 0.234 426 R C 1.537 177.719 176.300 -0.197 0.000 1.134 426 R CA 1.528 57.534 56.100 -0.157 0.000 0.952 426 R CB -0.245 29.959 30.300 -0.160 0.000 0.850 426 R HN 0.192 nan 8.270 nan 0.000 0.433 427 E N 0.636 120.649 120.200 -0.311 0.000 2.204 427 E HA -0.142 4.096 4.350 -0.186 0.000 0.195 427 E C 1.923 178.419 176.600 -0.173 0.000 0.990 427 E CA 0.699 56.877 56.400 -0.370 0.000 0.821 427 E CB -0.078 29.053 29.700 -0.949 0.000 0.750 427 E HN 0.219 nan 8.360 nan 0.000 0.477 428 L N 0.511 121.655 121.223 -0.131 0.000 2.202 428 L HA 0.010 4.238 4.340 -0.186 0.000 0.205 428 L C 2.285 179.114 176.870 -0.068 0.000 1.083 428 L CA 1.187 55.989 54.840 -0.062 0.000 0.790 428 L CB -0.192 41.834 42.059 -0.055 0.000 0.942 428 L HN -0.046 nan 8.230 nan 0.000 0.452 429 K N -0.910 119.439 120.400 -0.085 0.000 2.167 429 K HA -0.029 4.179 4.320 -0.186 0.000 0.203 429 K C -0.388 176.164 176.600 -0.080 0.000 1.052 429 K CA 0.936 57.175 56.287 -0.081 0.000 0.956 429 K CB 0.321 32.772 32.500 -0.082 0.000 0.735 429 K HN 0.189 nan 8.250 nan 0.000 0.451 430 D N 1.193 121.538 120.400 -0.092 0.000 2.375 430 D HA 0.171 4.699 4.640 -0.186 0.000 0.259 430 D C -1.214 175.038 176.300 -0.081 0.000 1.235 430 D CA -0.170 53.778 54.000 -0.086 0.000 0.924 430 D CB 1.558 42.290 40.800 -0.113 0.000 1.143 430 D HN 0.254 nan 8.370 nan 0.000 0.529 431 A N 1.565 124.359 122.820 -0.044 0.000 2.531 431 A HA 0.528 4.736 4.320 -0.186 0.000 0.236 431 A C 0.814 178.363 177.584 -0.057 0.000 1.062 431 A CA 0.329 52.351 52.037 -0.025 0.000 0.760 431 A CB 0.594 19.609 19.000 0.024 0.000 0.995 431 A HN 0.523 nan 8.150 nan 0.000 0.501 432 G N -0.996 107.765 108.800 -0.065 0.000 3.013 432 G HA2 0.571 4.420 3.960 -0.186 0.000 0.278 432 G HA3 0.571 4.420 3.960 -0.186 0.000 0.278 432 G C 0.752 175.593 174.900 -0.098 0.000 1.353 432 G CA 0.102 45.121 45.100 -0.134 0.000 1.043 432 G HN 1.309 nan 8.290 nan 0.000 0.523 433 A N -0.918 121.801 122.820 -0.168 0.000 2.119 433 A HA 0.124 4.332 4.320 -0.186 0.000 0.217 433 A C 1.430 179.174 177.584 0.266 0.000 1.153 433 A CA 1.611 53.554 52.037 -0.157 0.000 0.692 433 A CB -0.072 18.828 19.000 -0.167 0.000 0.799 433 A HN 0.391 nan 8.150 nan 0.000 0.458 434 D N -1.075 119.515 120.400 0.315 0.000 2.349 434 D HA 0.044 4.573 4.640 -0.186 0.000 0.214 434 D C 1.711 178.364 176.300 0.588 0.000 1.063 434 D CA 0.070 54.423 54.000 0.588 0.000 0.847 434 D CB -0.129 40.956 40.800 0.475 0.000 0.933 434 D HN 0.509 nan 8.370 nan 0.000 0.513 435 R N 0.755 121.468 120.500 0.355 0.000 2.119 435 R HA -0.199 4.029 4.340 -0.186 0.000 0.246 435 R C 2.052 178.491 176.300 0.232 0.000 1.146 435 R CA 1.119 57.394 56.100 0.292 0.000 0.962 435 R CB -0.377 30.019 30.300 0.161 0.000 0.863 435 R HN 0.124 nan 8.270 nan 0.000 0.442 436 I N 0.240 120.842 120.570 0.054 0.000 2.194 436 I HA -0.291 3.767 4.170 -0.186 0.000 0.246 436 I C 1.630 177.665 176.117 -0.135 0.000 1.093 436 I CA 1.578 62.778 61.300 -0.167 0.000 1.355 436 I CB -0.231 37.383 38.000 -0.643 0.000 1.046 436 I HN 0.316 nan 8.210 nan 0.000 0.413 437 W N -0.689 120.677 121.300 0.109 0.000 2.418 437 W HA -0.181 4.370 4.660 -0.181 0.000 0.292 437 W C 2.471 178.976 176.519 -0.025 0.000 1.213 437 W CA 0.818 58.188 57.345 0.041 0.000 1.283 437 W CB -1.163 28.225 29.460 -0.120 0.000 1.119 437 W HN 0.204 nan 8.180 nan 0.000 0.542 438 Y N 0.408 120.859 120.300 0.252 0.000 2.403 438 Y HA -0.154 4.282 4.550 -0.191 0.000 0.291 438 Y C 2.340 178.246 175.900 0.011 0.000 1.143 438 Y CA 1.106 59.278 58.100 0.119 0.000 1.257 438 Y CB -0.919 37.590 38.460 0.082 0.000 0.984 438 Y HN -0.137 nan 8.280 nan 0.000 0.550 439 I N -0.921 119.719 120.570 0.116 0.000 2.252 439 I HA -0.294 3.764 4.170 -0.186 0.000 0.245 439 I C 2.537 178.472 176.117 -0.303 0.000 1.102 439 I CA 1.128 62.364 61.300 -0.107 0.000 1.385 439 I CB -0.507 37.486 38.000 -0.011 0.000 1.064 439 I HN 0.162 nan 8.210 nan 0.000 0.414 440 A N 0.342 123.120 122.820 -0.069 0.000 1.898 440 A HA -0.223 3.986 4.320 -0.186 0.000 0.216 440 A C 1.975 179.570 177.584 0.019 0.000 1.181 440 A CA 1.900 53.925 52.037 -0.019 0.000 0.620 440 A CB -0.560 18.483 19.000 0.072 0.000 0.819 440 A HN 0.316 nan 8.150 nan 0.000 0.442 441 D N 0.167 120.594 120.400 0.046 0.000 2.149 441 D HA -0.082 4.446 4.640 -0.186 0.000 0.198 441 D C 2.239 178.556 176.300 0.028 0.000 0.990 441 D CA 1.471 55.509 54.000 0.063 0.000 0.839 441 D CB -0.413 40.434 40.800 0.079 0.000 0.948 441 D HN 0.414 nan 8.370 nan 0.000 0.460 442 A N 0.457 123.233 122.820 -0.074 0.000 1.908 442 A HA -0.195 4.013 4.320 -0.186 0.000 0.218 442 A C 1.971 179.501 177.584 -0.090 0.000 1.181 442 A CA 1.141 53.095 52.037 -0.139 0.000 0.627 442 A CB -0.897 17.928 19.000 -0.291 0.000 0.818 442 A HN 0.134 nan 8.150 nan 0.000 0.445 443 F N -0.051 119.931 119.950 0.054 0.000 2.234 443 F HA -0.036 4.380 4.527 -0.185 0.000 0.299 443 F C 2.481 178.301 175.800 0.034 0.000 1.087 443 F CA 0.949 58.969 58.000 0.032 0.000 1.340 443 F CB -0.645 38.358 39.000 0.005 0.000 1.031 443 F HN 0.161 nan 8.300 nan 0.000 0.500 444 R N 0.168 120.794 120.500 0.211 0.000 2.073 444 R HA -0.065 4.163 4.340 -0.186 0.000 0.234 444 R C 2.163 178.533 176.300 0.116 0.000 1.134 444 R CA 1.335 57.522 56.100 0.145 0.000 0.952 444 R CB -0.883 29.485 30.300 0.114 0.000 0.850 444 R HN 0.202 nan 8.270 nan 0.000 0.433 445 A N 0.293 123.174 122.820 0.101 0.000 2.255 445 A HA 0.151 4.359 4.320 -0.186 0.000 0.206 445 A C 1.323 178.960 177.584 0.088 0.000 1.193 445 A CA 0.888 52.974 52.037 0.082 0.000 0.794 445 A CB -0.434 18.607 19.000 0.068 0.000 0.794 445 A HN 0.549 nan 8.150 nan 0.000 0.481 446 G N -1.686 107.186 108.800 0.120 0.000 2.141 446 G HA2 -0.207 3.641 3.960 -0.186 0.000 0.242 446 G HA3 -0.207 3.641 3.960 -0.186 0.000 0.242 446 G C 0.066 175.044 174.900 0.130 0.000 0.982 446 G CA 0.252 45.421 45.100 0.115 0.000 0.662 446 G HN 0.435 nan 8.290 nan 0.000 0.527 447 L N 1.456 122.774 121.223 0.158 0.000 2.418 447 L HA 0.581 4.809 4.340 -0.186 0.000 0.265 447 L C 1.430 178.461 176.870 0.268 0.000 1.143 447 L CA 0.019 54.950 54.840 0.152 0.000 0.809 447 L CB 1.360 43.468 42.059 0.081 0.000 1.124 447 L HN 0.437 nan 8.230 nan 0.000 0.456 448 S N 0.921 116.748 115.700 0.211 0.000 2.652 448 S HA 0.224 4.582 4.470 -0.186 0.000 0.270 448 S C 1.005 175.805 174.600 0.334 0.000 1.243 448 S CA -0.895 57.439 58.200 0.223 0.000 0.999 448 S CB 1.656 64.930 63.200 0.123 0.000 0.973 448 S HN 0.336 nan 8.310 nan 0.000 0.544 449 V N 1.457 121.530 119.914 0.264 0.000 2.332 449 V HA -0.170 3.838 4.120 -0.186 0.000 0.248 449 V C 2.209 178.461 176.094 0.264 0.000 1.055 449 V CA 2.405 64.882 62.300 0.295 0.000 1.038 449 V CB -1.006 30.869 31.823 0.088 0.000 0.651 449 V HN 0.879 nan 8.190 nan 0.000 0.450 450 D N 0.374 120.878 120.400 0.173 0.000 2.097 450 D HA -0.115 4.413 4.640 -0.186 0.000 0.195 450 D C 2.195 178.635 176.300 0.233 0.000 0.989 450 D CA 1.643 55.747 54.000 0.174 0.000 0.827 450 D CB -0.702 40.156 40.800 0.097 0.000 0.966 450 D HN 0.460 nan 8.370 nan 0.000 0.456 451 G N 0.458 109.365 108.800 0.180 0.000 2.418 451 G HA2 -0.207 3.641 3.960 -0.186 0.000 0.217 451 G HA3 -0.207 3.641 3.960 -0.186 0.000 0.217 451 G C 1.846 176.826 174.900 0.134 0.000 1.158 451 G CA 0.842 46.027 45.100 0.141 0.000 0.771 451 G HN 0.248 nan 8.290 nan 0.000 0.545 452 V N 0.408 120.419 119.914 0.162 0.000 2.407 452 V HA -0.128 3.881 4.120 -0.186 0.000 0.248 452 V C 2.304 178.463 176.094 0.108 0.000 1.055 452 V CA 1.796 64.153 62.300 0.095 0.000 1.049 452 V CB -0.621 31.242 31.823 0.067 0.000 0.662 452 V HN 0.414 nan 8.190 nan 0.000 0.455 453 F N 1.875 121.868 119.950 0.071 0.000 2.102 453 F HA -0.179 4.237 4.527 -0.185 0.000 0.298 453 F C 2.333 178.157 175.800 0.041 0.000 1.105 453 F CA 1.922 59.956 58.000 0.057 0.000 1.239 453 F CB -0.375 38.666 39.000 0.069 0.000 0.991 453 F HN 0.164 nan 8.300 nan 0.000 0.474 454 N N 0.825 119.588 118.700 0.106 0.000 2.272 454 N HA -0.160 4.469 4.740 -0.186 0.000 0.185 454 N C 1.892 177.328 175.510 -0.124 0.000 1.014 454 N CA 1.580 54.627 53.050 -0.005 0.000 0.870 454 N CB -0.383 38.180 38.487 0.126 0.000 0.975 454 N HN 0.398 nan 8.380 nan 0.000 0.433 455 L N -0.101 121.064 121.223 -0.097 0.000 2.202 455 L HA -0.008 4.220 4.340 -0.186 0.000 0.205 455 L C 2.331 179.118 176.870 -0.139 0.000 1.083 455 L CA 1.196 55.979 54.840 -0.094 0.000 0.790 455 L CB -0.354 41.671 42.059 -0.057 0.000 0.942 455 L HN 0.241 nan 8.230 nan 0.000 0.452 456 T N -4.907 109.538 114.554 -0.183 0.000 3.040 456 T HA 0.067 4.305 4.350 -0.186 0.000 0.252 456 T C 0.932 175.471 174.700 -0.269 0.000 1.064 456 T CA 0.671 62.664 62.100 -0.178 0.000 1.110 456 T CB -0.099 68.693 68.868 -0.128 0.000 0.921 456 T HN 0.345 nan 8.240 nan 0.000 0.480 457 N N 0.182 118.563 118.700 -0.532 0.000 2.878 457 N HA -0.110 4.518 4.740 -0.186 0.000 0.247 457 N C -0.830 174.480 175.510 -0.333 0.000 1.021 457 N CA 0.461 53.122 53.050 -0.647 0.000 0.873 457 N CB -1.664 36.647 38.487 -0.293 0.000 1.128 457 N HN 0.544 nan 8.380 nan 0.000 0.571 458 I N 1.424 121.845 120.570 -0.249 0.000 2.452 458 I HA 0.007 4.065 4.170 -0.186 0.000 0.287 458 I C 0.832 177.070 176.117 0.202 0.000 1.079 458 I CA -0.128 61.077 61.300 -0.160 0.000 1.387 458 I CB 0.336 38.117 38.000 -0.365 0.000 1.404 458 I HN 0.152 nan 8.210 nan 0.000 0.522 459 D N 6.519 127.117 120.400 0.329 0.000 2.752 459 D HA -0.116 4.413 4.640 -0.186 0.000 0.225 459 D C 1.264 177.806 176.300 0.405 0.000 1.104 459 D CA 0.562 54.828 54.000 0.443 0.000 0.832 459 D CB 0.778 41.805 40.800 0.379 0.000 1.161 459 D HN 0.493 nan 8.370 nan 0.000 0.505 460 R N 2.979 123.633 120.500 0.256 0.000 2.170 460 R HA -0.205 4.024 4.340 -0.186 0.000 0.242 460 R C 1.980 178.378 176.300 0.163 0.000 1.145 460 R CA 1.395 57.597 56.100 0.171 0.000 0.984 460 R CB -0.190 30.111 30.300 0.003 0.000 0.869 460 R HN 0.652 nan 8.270 nan 0.000 0.455 461 W N 0.865 122.134 121.300 -0.052 0.000 2.325 461 W HA -0.224 4.323 4.660 -0.187 0.000 0.299 461 W C 1.246 177.691 176.519 -0.124 0.000 1.215 461 W CA 1.545 58.791 57.345 -0.165 0.000 1.244 461 W CB -0.210 29.047 29.460 -0.339 0.000 1.140 461 W HN -0.034 nan 8.180 nan 0.000 0.523 462 F N -0.271 119.845 119.950 0.276 0.000 2.149 462 F HA -0.076 4.341 4.527 -0.184 0.000 0.294 462 F C 2.313 178.180 175.800 0.111 0.000 1.095 462 F CA 1.355 59.467 58.000 0.186 0.000 1.276 462 F CB -1.271 37.916 39.000 0.311 0.000 1.023 462 F HN -0.255 nan 8.300 nan 0.000 0.480 463 L N 0.302 121.731 121.223 0.343 0.000 2.042 463 L HA -0.210 4.018 4.340 -0.186 0.000 0.210 463 L C 2.631 179.595 176.870 0.155 0.000 1.076 463 L CA 1.480 56.516 54.840 0.326 0.000 0.749 463 L CB -1.177 41.098 42.059 0.360 0.000 0.893 463 L HN 0.193 nan 8.230 nan 0.000 0.432 464 V N -2.112 117.807 119.914 0.009 0.000 2.392 464 V HA -0.306 3.702 4.120 -0.186 0.000 0.249 464 V C 2.222 178.208 176.094 -0.181 0.000 1.059 464 V CA 1.746 63.960 62.300 -0.143 0.000 1.051 464 V CB -0.945 30.784 31.823 -0.156 0.000 0.658 464 V HN 0.547 nan 8.190 nan 0.000 0.455 465 Q N 0.126 119.825 119.800 -0.168 0.000 2.167 465 Q HA -0.030 4.198 4.340 -0.186 0.000 0.202 465 Q C 2.345 178.275 176.000 -0.117 0.000 0.970 465 Q CA 2.037 57.738 55.803 -0.170 0.000 0.855 465 Q CB -0.308 28.297 28.738 -0.221 0.000 0.911 465 Q HN 0.669 nan 8.270 nan 0.000 0.438 466 I N 0.909 121.443 120.570 -0.059 0.000 2.233 466 I HA -0.239 3.819 4.170 -0.186 0.000 0.243 466 I C 2.574 178.623 176.117 -0.114 0.000 1.093 466 I CA 1.063 62.276 61.300 -0.145 0.000 1.380 466 I CB -0.246 37.743 38.000 -0.018 0.000 1.067 466 I HN 0.272 nan 8.210 nan 0.000 0.413 467 E N 1.270 121.353 120.200 -0.196 0.000 2.070 467 E HA -0.337 3.901 4.350 -0.186 0.000 0.197 467 E C 2.097 178.538 176.600 -0.265 0.000 1.004 467 E CA 1.857 57.912 56.400 -0.576 0.000 0.805 467 E CB -0.096 28.849 29.700 -1.258 0.000 0.744 467 E HN 0.459 nan 8.360 nan 0.000 0.451 468 E N 0.300 120.382 120.200 -0.196 0.000 2.085 468 E HA -0.219 4.019 4.350 -0.186 0.000 0.194 468 E C 2.336 178.931 176.600 -0.008 0.000 0.994 468 E CA 1.172 57.513 56.400 -0.098 0.000 0.801 468 E CB -0.124 29.525 29.700 -0.086 0.000 0.743 468 E HN 0.360 nan 8.360 nan 0.000 0.453 469 L N 0.328 121.542 121.223 -0.015 0.000 2.042 469 L HA -0.208 4.020 4.340 -0.186 0.000 0.210 469 L C 2.598 179.569 176.870 0.169 0.000 1.076 469 L CA 0.935 55.838 54.840 0.104 0.000 0.749 469 L CB -0.451 41.555 42.059 -0.089 0.000 0.893 469 L HN 0.134 nan 8.230 nan 0.000 0.432 470 V N -0.153 119.791 119.914 0.050 0.000 2.332 470 V HA -0.276 3.732 4.120 -0.186 0.000 0.248 470 V C 2.727 178.873 176.094 0.087 0.000 1.055 470 V CA 1.659 64.014 62.300 0.091 0.000 1.038 470 V CB -0.676 31.217 31.823 0.117 0.000 0.651 470 V HN 0.450 nan 8.190 nan 0.000 0.450 471 R N -0.064 120.462 120.500 0.044 0.000 2.070 471 R HA -0.102 4.126 4.340 -0.186 0.000 0.233 471 R C 2.307 178.642 176.300 0.058 0.000 1.137 471 R CA 1.450 57.570 56.100 0.034 0.000 0.945 471 R CB -1.056 29.241 30.300 -0.004 0.000 0.845 471 R HN 0.412 nan 8.270 nan 0.000 0.430 472 L N 1.227 122.503 121.223 0.088 0.000 2.043 472 L HA -0.207 4.021 4.340 -0.186 0.000 0.212 472 L C 2.597 179.478 176.870 0.017 0.000 1.075 472 L CA 1.468 56.362 54.840 0.090 0.000 0.752 472 L CB -0.476 41.662 42.059 0.132 0.000 0.891 472 L HN 0.288 nan 8.230 nan 0.000 0.432 473 E N 0.004 120.237 120.200 0.055 0.000 2.070 473 E HA -0.270 3.969 4.350 -0.186 0.000 0.197 473 E C 2.056 178.676 176.600 0.034 0.000 1.004 473 E CA 1.680 58.099 56.400 0.033 0.000 0.805 473 E CB -0.097 29.701 29.700 0.163 0.000 0.744 473 E HN 0.596 nan 8.360 nan 0.000 0.451 474 E N 0.592 120.824 120.200 0.054 0.000 2.153 474 E HA -0.198 4.040 4.350 -0.186 0.000 0.194 474 E C 2.095 178.717 176.600 0.037 0.000 0.988 474 E CA 0.841 57.268 56.400 0.045 0.000 0.811 474 E CB -0.068 29.658 29.700 0.044 0.000 0.746 474 E HN 0.127 nan 8.360 nan 0.000 0.466 475 K N 1.308 121.736 120.400 0.047 0.000 2.025 475 K HA -0.123 4.085 4.320 -0.186 0.000 0.207 475 K C 2.156 178.809 176.600 0.088 0.000 1.049 475 K CA 1.054 57.367 56.287 0.044 0.000 0.933 475 K CB -0.060 32.459 32.500 0.031 0.000 0.714 475 K HN -0.055 nan 8.250 nan 0.000 0.438 476 V N 1.891 121.885 119.914 0.133 0.000 2.250 476 V HA -0.321 3.687 4.120 -0.186 0.000 0.250 476 V C 2.571 178.698 176.094 0.055 0.000 1.060 476 V CA 2.233 64.597 62.300 0.106 0.000 1.030 476 V CB -0.905 30.880 31.823 -0.063 0.000 0.643 476 V HN 0.581 nan 8.190 nan 0.000 0.445 477 A N -0.748 122.090 122.820 0.031 0.000 1.978 477 A HA -0.281 3.928 4.320 -0.186 0.000 0.220 477 A C 2.191 179.792 177.584 0.028 0.000 1.170 477 A CA 2.198 54.251 52.037 0.027 0.000 0.636 477 A CB -0.448 18.570 19.000 0.030 0.000 0.810 477 A HN 0.642 nan 8.150 nan 0.000 0.448 478 E N -0.361 119.856 120.200 0.030 0.000 2.122 478 E HA -0.081 4.157 4.350 -0.186 0.000 0.190 478 E C 1.927 178.539 176.600 0.019 0.000 0.977 478 E CA 1.359 57.771 56.400 0.019 0.000 0.820 478 E CB -0.101 29.604 29.700 0.009 0.000 0.770 478 E HN 0.488 nan 8.360 nan 0.000 0.462 479 V N -2.441 117.493 119.914 0.033 0.000 2.535 479 V HA 0.295 4.303 4.120 -0.186 0.000 0.246 479 V C 1.231 177.351 176.094 0.044 0.000 1.045 479 V CA 0.798 63.119 62.300 0.035 0.000 1.058 479 V CB -0.989 30.858 31.823 0.039 0.000 0.689 479 V HN 0.336 nan 8.190 nan 0.000 0.461 480 G N 0.106 108.936 108.800 0.050 0.000 2.828 480 G HA2 -0.282 3.566 3.960 -0.186 0.000 0.463 480 G HA3 -0.282 3.566 3.960 -0.186 0.000 0.463 480 G C 0.305 175.233 174.900 0.047 0.000 1.394 480 G CA 0.056 45.178 45.100 0.037 0.000 0.862 480 G HN 1.033 nan 8.290 nan 0.000 0.540 481 I N 0.506 121.094 120.570 0.030 0.000 2.502 481 I HA -0.194 3.865 4.170 -0.186 0.000 0.258 481 I C 2.742 178.890 176.117 0.052 0.000 1.172 481 I CA 2.880 64.198 61.300 0.029 0.000 1.430 481 I CB -0.195 37.811 38.000 0.010 0.000 1.086 481 I HN 0.885 nan 8.210 nan 0.000 0.440 482 T N -1.978 112.606 114.554 0.049 0.000 2.821 482 T HA -0.025 4.214 4.350 -0.186 0.000 0.267 482 T C 1.929 176.675 174.700 0.076 0.000 1.046 482 T CA 0.870 63.003 62.100 0.054 0.000 1.139 482 T CB -1.211 67.679 68.868 0.037 0.000 0.871 482 T HN 0.453 nan 8.240 nan 0.000 0.454 483 G N 1.765 110.618 108.800 0.089 0.000 2.509 483 G HA2 0.117 3.965 3.960 -0.186 0.000 0.218 483 G HA3 0.117 3.965 3.960 -0.186 0.000 0.218 483 G C 0.783 175.830 174.900 0.245 0.000 1.124 483 G CA -0.078 45.094 45.100 0.121 0.000 0.776 483 G HN 0.584 nan 8.290 nan 0.000 0.547 484 L N 2.659 124.006 121.223 0.207 0.000 2.376 484 L HA 0.188 4.417 4.340 -0.186 0.000 0.250 484 L C 0.249 177.262 176.870 0.237 0.000 1.335 484 L CA -0.714 54.249 54.840 0.205 0.000 1.214 484 L CB -1.122 40.980 42.059 0.072 0.000 1.395 484 L HN 0.247 nan 8.230 nan 0.000 0.424 485 N N 0.613 119.448 118.700 0.225 0.000 2.434 485 N HA 0.367 4.995 4.740 -0.186 0.000 0.266 485 N C 1.050 176.526 175.510 -0.057 0.000 1.223 485 N CA -0.017 53.092 53.050 0.099 0.000 0.972 485 N CB 1.060 39.580 38.487 0.053 0.000 1.207 485 N HN 0.201 nan 8.380 nan 0.000 0.525 486 A N 0.394 122.937 122.820 -0.462 0.000 1.883 486 A HA -0.226 3.982 4.320 -0.186 0.000 0.217 486 A C 1.409 178.847 177.584 -0.243 0.000 1.186 486 A CA 1.914 53.521 52.037 -0.717 0.000 0.624 486 A CB -0.968 17.508 19.000 -0.873 0.000 0.822 486 A HN 0.811 nan 8.150 nan 0.000 0.444 487 D N -1.674 118.654 120.400 -0.121 0.000 2.264 487 D HA -0.071 4.457 4.640 -0.186 0.000 0.208 487 D C 1.377 177.732 176.300 0.091 0.000 0.966 487 D CA 0.907 54.895 54.000 -0.020 0.000 0.864 487 D CB -0.233 40.558 40.800 -0.015 0.000 0.933 487 D HN 0.487 nan 8.370 nan 0.000 0.499 488 F N 0.492 120.392 119.950 -0.084 0.000 2.505 488 F HA 0.125 4.541 4.527 -0.186 0.000 0.289 488 F C 1.729 177.493 175.800 -0.060 0.000 1.101 488 F CA -0.010 57.952 58.000 -0.064 0.000 1.446 488 F CB -0.278 38.687 39.000 -0.059 0.000 1.123 488 F HN -0.167 nan 8.300 nan 0.000 0.564 489 L N 1.225 122.364 121.223 -0.141 0.000 2.093 489 L HA -0.049 4.179 4.340 -0.186 0.000 0.208 489 L C 2.577 179.336 176.870 -0.186 0.000 1.085 489 L CA 1.729 56.429 54.840 -0.233 0.000 0.755 489 L CB -0.989 41.081 42.059 0.019 0.000 0.904 489 L HN 0.198 nan 8.230 nan 0.000 0.435 490 R N -0.956 119.488 120.500 -0.093 0.000 2.120 490 R HA -0.207 4.021 4.340 -0.186 0.000 0.234 490 R C 2.285 178.531 176.300 -0.091 0.000 1.123 490 R CA 1.605 57.658 56.100 -0.078 0.000 0.975 490 R CB -0.227 30.071 30.300 -0.003 0.000 0.866 490 R HN 0.620 nan 8.270 nan 0.000 0.446 491 Q N 0.649 120.419 119.800 -0.050 0.000 1.993 491 Q HA -0.174 4.054 4.340 -0.186 0.000 0.202 491 Q C 2.156 178.139 176.000 -0.028 0.000 0.984 491 Q CA 1.836 57.642 55.803 0.005 0.000 0.837 491 Q CB -0.143 28.666 28.738 0.118 0.000 0.902 491 Q HN 0.448 nan 8.270 nan 0.000 0.423 492 L N 0.636 121.766 121.223 -0.155 0.000 2.079 492 L HA -0.233 3.996 4.340 -0.186 0.000 0.210 492 L C 2.620 179.543 176.870 0.088 0.000 1.081 492 L CA 1.007 55.809 54.840 -0.064 0.000 0.752 492 L CB -0.510 41.260 42.059 -0.481 0.000 0.896 492 L HN 0.125 nan 8.230 nan 0.000 0.433 493 K N 0.466 120.740 120.400 -0.210 0.000 2.002 493 K HA -0.123 4.086 4.320 -0.186 0.000 0.209 493 K C 2.141 178.514 176.600 -0.377 0.000 1.048 493 K CA 1.342 57.326 56.287 -0.506 0.000 0.930 493 K CB -0.465 31.301 32.500 -1.223 0.000 0.714 493 K HN 0.218 nan 8.250 nan 0.000 0.438 494 R N 0.896 121.264 120.500 -0.219 0.000 2.249 494 R HA -0.052 4.177 4.340 -0.186 0.000 0.230 494 R C 1.652 177.979 176.300 0.044 0.000 1.121 494 R CA 0.899 57.004 56.100 0.007 0.000 0.997 494 R CB 0.096 30.433 30.300 0.062 0.000 0.867 494 R HN 0.033 nan 8.270 nan 0.000 0.465 495 K N -0.971 119.459 120.400 0.050 0.000 2.444 495 K HA 0.102 4.310 4.320 -0.186 0.000 0.193 495 K C 0.995 177.538 176.600 -0.095 0.000 1.024 495 K CA 0.848 57.162 56.287 0.045 0.000 1.077 495 K CB 1.086 33.706 32.500 0.199 0.000 0.833 495 K HN 0.391 nan 8.250 nan 0.000 0.517 496 G N 1.300 110.065 108.800 -0.057 0.000 2.176 496 G HA2 -0.244 3.605 3.960 -0.186 0.000 0.232 496 G HA3 -0.244 3.605 3.960 -0.186 0.000 0.232 496 G C 0.009 174.827 174.900 -0.135 0.000 0.986 496 G CA -0.472 44.578 45.100 -0.084 0.000 0.643 496 G HN 0.184 nan 8.290 nan 0.000 0.522 497 F N 1.971 121.903 119.950 -0.030 0.000 2.608 497 F HA 0.468 4.883 4.527 -0.186 0.000 0.380 497 F C 1.181 176.958 175.800 -0.038 0.000 1.083 497 F CA 0.644 58.625 58.000 -0.031 0.000 1.266 497 F CB 0.728 39.681 39.000 -0.078 0.000 1.076 497 F HN 0.373 nan 8.300 nan 0.000 0.574 498 A N 3.316 126.251 122.820 0.193 0.000 2.316 498 A HA 0.263 4.471 4.320 -0.186 0.000 0.284 498 A C 1.036 178.684 177.584 0.107 0.000 1.115 498 A CA -0.719 51.391 52.037 0.121 0.000 0.812 498 A CB 0.386 19.442 19.000 0.093 0.000 1.064 498 A HN 0.757 nan 8.150 nan 0.000 0.489 499 D N 1.818 122.260 120.400 0.069 0.000 2.106 499 D HA -0.174 4.355 4.640 -0.186 0.000 0.191 499 D C 2.200 178.524 176.300 0.040 0.000 0.997 499 D CA 2.317 56.340 54.000 0.039 0.000 0.834 499 D CB -0.331 40.491 40.800 0.036 0.000 0.956 499 D HN 0.667 nan 8.370 nan 0.000 0.448 500 A N 0.312 123.160 122.820 0.047 0.000 2.024 500 A HA -0.211 3.998 4.320 -0.186 0.000 0.220 500 A C 2.150 179.768 177.584 0.056 0.000 1.164 500 A CA 1.874 53.936 52.037 0.041 0.000 0.643 500 A CB -0.389 18.633 19.000 0.036 0.000 0.806 500 A HN 0.080 nan 8.150 nan 0.000 0.451 501 R N -0.139 120.416 120.500 0.091 0.000 2.062 501 R HA 0.113 4.341 4.340 -0.186 0.000 0.226 501 R C 1.928 178.291 176.300 0.106 0.000 1.125 501 R CA 1.327 57.509 56.100 0.136 0.000 0.966 501 R CB -0.665 29.779 30.300 0.239 0.000 0.861 501 R HN 0.479 nan 8.270 nan 0.000 0.433 502 L N 0.058 121.322 121.223 0.069 0.000 2.046 502 L HA -0.105 4.123 4.340 -0.186 0.000 0.208 502 L C 2.451 179.311 176.870 -0.017 0.000 1.077 502 L CA 1.378 56.201 54.840 -0.028 0.000 0.747 502 L CB -0.740 41.271 42.059 -0.080 0.000 0.896 502 L HN 0.354 nan 8.230 nan 0.000 0.432 503 A N 0.352 123.173 122.820 0.003 0.000 1.883 503 A HA -0.262 3.946 4.320 -0.186 0.000 0.217 503 A C 2.318 179.908 177.584 0.009 0.000 1.186 503 A CA 1.973 54.011 52.037 0.002 0.000 0.624 503 A CB -0.415 18.589 19.000 0.006 0.000 0.822 503 A HN 0.314 nan 8.150 nan 0.000 0.444 504 K N -0.667 119.746 120.400 0.022 0.000 2.147 504 K HA -0.010 4.198 4.320 -0.186 0.000 0.205 504 K C 1.769 178.383 176.600 0.023 0.000 1.049 504 K CA 1.260 57.562 56.287 0.024 0.000 0.936 504 K CB -0.322 32.199 32.500 0.035 0.000 0.722 504 K HN 0.479 nan 8.250 nan 0.000 0.446 505 L N -0.154 121.083 121.223 0.023 0.000 2.156 505 L HA -0.092 4.137 4.340 -0.186 0.000 0.208 505 L C 2.103 178.978 176.870 0.008 0.000 1.095 505 L CA 0.983 55.834 54.840 0.017 0.000 0.770 505 L CB -0.190 41.871 42.059 0.003 0.000 0.914 505 L HN 0.119 nan 8.230 nan 0.000 0.439 506 A N -0.499 122.320 122.820 -0.001 0.000 2.308 506 A HA 0.393 4.602 4.320 -0.186 0.000 0.217 506 A C 1.532 179.119 177.584 0.005 0.000 1.216 506 A CA 0.452 52.490 52.037 0.001 0.000 0.864 506 A CB -0.377 18.618 19.000 -0.008 0.000 0.902 506 A HN 0.409 nan 8.150 nan 0.000 0.499 507 G N -0.243 108.561 108.800 0.006 0.000 2.314 507 G HA2 -0.052 3.797 3.960 -0.186 0.000 0.292 507 G HA3 -0.052 3.797 3.960 -0.186 0.000 0.292 507 G C 0.245 175.147 174.900 0.003 0.000 1.059 507 G CA 0.860 45.964 45.100 0.006 0.000 0.982 507 G HN 1.742 nan 8.290 nan 0.000 0.505 508 V N -4.294 115.620 119.914 0.001 0.000 3.105 508 V HA 0.886 4.894 4.120 -0.186 0.000 0.311 508 V C 0.477 176.569 176.094 -0.002 0.000 1.282 508 V CA -1.810 60.488 62.300 -0.003 0.000 1.065 508 V CB 1.347 33.165 31.823 -0.007 0.000 1.136 508 V HN 0.347 nan 8.190 nan 0.000 0.469 509 R N -0.056 120.441 120.500 -0.005 0.000 2.536 509 R HA 0.361 4.589 4.340 -0.186 0.000 0.279 509 R C 1.293 177.591 176.300 -0.004 0.000 1.001 509 R CA 0.093 56.191 56.100 -0.004 0.000 1.027 509 R CB 1.327 31.624 30.300 -0.005 0.000 1.096 509 R HN 0.986 nan 8.270 nan 0.000 0.502 510 E N 2.191 122.391 120.200 0.001 0.000 2.209 510 E HA -0.235 4.004 4.350 -0.186 0.000 0.196 510 E C 1.202 177.802 176.600 0.000 0.000 0.993 510 E CA 1.582 57.984 56.400 0.004 0.000 0.819 510 E CB 0.072 29.779 29.700 0.010 0.000 0.745 510 E HN 0.718 nan 8.360 nan 0.000 0.477 511 A N 1.043 123.861 122.820 -0.002 0.000 2.015 511 A HA -0.181 4.027 4.320 -0.186 0.000 0.219 511 A C 1.879 179.454 177.584 -0.014 0.000 1.163 511 A CA 1.372 53.407 52.037 -0.005 0.000 0.646 511 A CB -0.353 18.644 19.000 -0.004 0.000 0.806 511 A HN 0.363 nan 8.150 nan 0.000 0.448 512 E N -0.134 120.055 120.200 -0.019 0.000 2.072 512 E HA -0.134 4.104 4.350 -0.186 0.000 0.191 512 E C 1.802 178.373 176.600 -0.048 0.000 0.985 512 E CA 1.077 57.458 56.400 -0.031 0.000 0.801 512 E CB -0.209 29.476 29.700 -0.024 0.000 0.750 512 E HN 0.587 nan 8.360 nan 0.000 0.452 513 I N 0.811 121.358 120.570 -0.039 0.000 2.353 513 I HA -0.185 3.873 4.170 -0.186 0.000 0.248 513 I C 2.516 178.598 176.117 -0.058 0.000 1.119 513 I CA 1.049 62.318 61.300 -0.052 0.000 1.417 513 I CB -0.909 37.071 38.000 -0.033 0.000 1.078 513 I HN 0.079 nan 8.210 nan 0.000 0.421 514 R N 1.479 121.962 120.500 -0.028 0.000 2.073 514 R HA -0.179 4.049 4.340 -0.186 0.000 0.234 514 R C 2.345 178.625 176.300 -0.034 0.000 1.134 514 R CA 1.568 57.662 56.100 -0.009 0.000 0.952 514 R CB -0.009 30.302 30.300 0.018 0.000 0.850 514 R HN 0.231 nan 8.270 nan 0.000 0.433 515 K N 0.143 120.514 120.400 -0.048 0.000 2.063 515 K HA -0.178 4.031 4.320 -0.186 0.000 0.208 515 K C 2.045 178.557 176.600 -0.146 0.000 1.048 515 K CA 1.328 57.575 56.287 -0.065 0.000 0.928 515 K CB -0.240 32.227 32.500 -0.056 0.000 0.713 515 K HN 0.066 nan 8.250 nan 0.000 0.442 516 L N 1.673 122.780 121.223 -0.192 0.000 1.990 516 L HA -0.232 3.997 4.340 -0.186 0.000 0.213 516 L C 2.076 178.609 176.870 -0.561 0.000 1.072 516 L CA 1.755 56.369 54.840 -0.376 0.000 0.755 516 L CB -0.319 41.570 42.059 -0.283 0.000 0.889 516 L HN 0.076 nan 8.230 nan 0.000 0.432 517 R N -0.603 119.716 120.500 -0.302 0.000 2.091 517 R HA -0.174 4.054 4.340 -0.186 0.000 0.238 517 R C 2.082 178.244 176.300 -0.230 0.000 1.136 517 R CA 1.476 57.442 56.100 -0.224 0.000 0.959 517 R CB -0.717 29.517 30.300 -0.110 0.000 0.856 517 R HN 0.512 nan 8.270 nan 0.000 0.437 518 D N 0.649 120.978 120.400 -0.118 0.000 2.116 518 D HA -0.235 4.294 4.640 -0.186 0.000 0.193 518 D C 1.878 178.201 176.300 0.039 0.000 0.998 518 D CA 1.324 55.354 54.000 0.050 0.000 0.836 518 D CB -0.078 40.765 40.800 0.071 0.000 0.951 518 D HN 0.312 nan 8.370 nan 0.000 0.449 519 Q N -0.754 118.995 119.800 -0.086 0.000 2.226 519 Q HA -0.182 4.046 4.340 -0.186 0.000 0.204 519 Q C 1.222 177.268 176.000 0.077 0.000 0.975 519 Q CA 1.050 56.812 55.803 -0.067 0.000 0.866 519 Q CB 0.062 28.667 28.738 -0.222 0.000 0.915 519 Q HN 0.353 nan 8.270 nan 0.000 0.440 520 Y N -0.027 120.267 120.300 -0.010 0.000 2.466 520 Y HA 0.100 4.538 4.550 -0.186 0.000 0.272 520 Y C 0.287 176.180 175.900 -0.011 0.000 1.169 520 Y CA 0.299 58.390 58.100 -0.014 0.000 1.285 520 Y CB 0.054 38.492 38.460 -0.037 0.000 1.078 520 Y HN 0.198 nan 8.280 nan 0.000 0.523 521 D N -0.282 120.205 120.400 0.146 0.000 2.837 521 D HA -0.209 4.319 4.640 -0.186 0.000 0.230 521 D C -0.647 175.693 176.300 0.067 0.000 1.152 521 D CA 0.270 54.374 54.000 0.174 0.000 0.736 521 D CB -1.240 39.670 40.800 0.183 0.000 1.084 521 D HN 0.154 nan 8.370 nan 0.000 0.429 522 L N 2.148 123.262 121.223 -0.182 0.000 2.315 522 L HA 0.407 4.635 4.340 -0.186 0.000 0.278 522 L C -0.632 176.003 176.870 -0.392 0.000 1.088 522 L CA -0.166 54.608 54.840 -0.110 0.000 0.899 522 L CB 0.318 42.432 42.059 0.091 0.000 1.277 522 L HN 0.116 nan 8.230 nan 0.000 0.431 523 H N 3.656 122.812 119.070 0.145 0.000 2.907 523 H HA 0.632 5.076 4.556 -0.187 0.000 0.361 523 H C -2.563 172.508 175.328 -0.428 0.000 1.194 523 H CA -1.826 54.212 56.048 -0.018 0.000 1.152 523 H CB 1.648 31.405 29.762 -0.008 0.000 1.867 523 H HN 0.309 nan 8.280 nan 0.000 0.561 524 P HA 0.167 nan 4.420 nan 0.000 0.278 524 P C -0.233 176.748 177.300 -0.532 0.000 1.258 524 P CA -0.481 62.009 63.100 -1.017 0.000 0.811 524 P CB 1.307 32.482 31.700 -0.874 0.000 1.063 525 V N -1.940 117.654 119.914 -0.534 0.000 3.234 525 V HA 0.599 4.607 4.120 -0.186 0.000 0.317 525 V C -1.072 174.647 176.094 -0.626 0.000 1.147 525 V CA -0.919 61.182 62.300 -0.332 0.000 1.037 525 V CB 1.069 32.793 31.823 -0.165 0.000 1.148 525 V HN 0.329 nan 8.190 nan 0.000 0.455 526 Y N 0.440 120.670 120.300 -0.116 0.000 2.350 526 Y HA 0.725 5.163 4.550 -0.187 0.000 0.338 526 Y C 0.222 175.955 175.900 -0.279 0.000 0.961 526 Y CA -0.817 57.178 58.100 -0.177 0.000 1.100 526 Y CB 1.937 40.374 38.460 -0.038 0.000 1.179 526 Y HN 0.500 nan 8.280 nan 0.000 0.454 527 K N 3.098 123.213 120.400 -0.474 0.000 2.238 527 K HA 0.632 4.840 4.320 -0.186 0.000 0.239 527 K C -0.372 175.976 176.600 -0.420 0.000 0.987 527 K CA -0.947 55.049 56.287 -0.485 0.000 0.857 527 K CB 2.162 34.272 32.500 -0.650 0.000 1.154 527 K HN 0.710 nan 8.250 nan 0.000 0.439 528 R N -0.051 120.374 120.500 -0.125 0.000 2.902 528 R HA 0.546 4.774 4.340 -0.186 0.000 0.258 528 R C -0.474 175.888 176.300 0.102 0.000 1.071 528 R CA -1.075 55.014 56.100 -0.017 0.000 1.024 528 R CB 1.475 31.782 30.300 0.012 0.000 1.184 528 R HN 0.206 nan 8.270 nan 0.000 0.492 529 V N 1.467 121.368 119.914 -0.021 0.000 2.539 529 V HA 0.131 4.139 4.120 -0.186 0.000 0.292 529 V C -0.032 176.115 176.094 0.088 0.000 1.045 529 V CA 0.027 62.319 62.300 -0.014 0.000 0.945 529 V CB 1.456 32.936 31.823 -0.571 0.000 0.993 529 V HN 1.012 nan 8.190 nan 0.000 0.464 530 D N -0.010 120.487 120.400 0.161 0.000 2.430 530 D HA 0.061 4.589 4.640 -0.186 0.000 0.289 530 D C 0.936 177.353 176.300 0.194 0.000 1.215 530 D CA 0.862 54.949 54.000 0.144 0.000 0.838 530 D CB 0.326 41.209 40.800 0.138 0.000 1.290 530 D HN 0.818 nan 8.370 nan 0.000 0.521 531 T N -1.767 112.924 114.554 0.229 0.000 10.716 531 T HA -0.368 3.871 4.350 -0.186 0.000 0.368 531 T C 1.400 176.284 174.700 0.307 0.000 1.780 531 T CA 1.324 63.605 62.100 0.303 0.000 2.855 531 T CB -2.775 66.382 68.868 0.481 0.000 2.435 531 T HN 0.855 nan 8.240 nan 0.000 0.858 532 C N 2.390 121.862 119.300 0.287 0.000 2.688 532 C HA 0.870 5.218 4.460 -0.186 0.000 0.297 532 C C 2.031 177.101 174.990 0.133 0.000 1.308 532 C CA -0.209 58.974 59.018 0.275 0.000 1.726 532 C CB -1.044 26.931 27.740 0.392 0.000 1.982 532 C HN 2.234 nan 8.230 nan 0.000 0.604 533 A N -0.246 122.621 122.820 0.078 0.000 2.799 533 A HA 0.168 4.376 4.320 -0.186 0.000 0.287 533 A C 1.586 179.185 177.584 0.026 0.000 1.484 533 A CA 1.622 53.675 52.037 0.026 0.000 0.813 533 A CB -1.895 17.095 19.000 -0.017 0.000 1.009 533 A HN 2.793 nan 8.150 nan 0.000 0.545 534 A N -2.639 120.210 122.820 0.049 0.000 3.383 534 A HA -0.300 3.908 4.320 -0.186 0.000 0.264 534 A C 1.139 178.679 177.584 -0.073 0.000 1.154 534 A CA 2.112 54.158 52.037 0.015 0.000 1.179 534 A CB -2.282 16.731 19.000 0.022 0.000 1.133 534 A HN 1.710 nan 8.150 nan 0.000 0.933 535 E N -1.577 118.527 120.200 -0.160 0.000 2.204 535 E HA 0.018 4.257 4.350 -0.186 0.000 0.195 535 E C -0.092 176.041 176.600 -0.779 0.000 0.990 535 E CA 1.089 57.198 56.400 -0.485 0.000 0.821 535 E CB -0.002 29.316 29.700 -0.637 0.000 0.750 535 E HN 0.739 nan 8.360 nan 0.000 0.477 536 F N -0.480 119.467 119.950 -0.005 0.000 2.540 536 F HA 0.499 4.915 4.527 -0.187 0.000 0.317 536 F C 0.148 175.941 175.800 -0.011 0.000 1.104 536 F CA -1.061 56.927 58.000 -0.020 0.000 0.913 536 F CB 1.410 40.381 39.000 -0.049 0.000 1.170 536 F HN -0.178 nan 8.300 nan 0.000 0.450 537 A N 1.253 124.170 122.820 0.162 0.000 2.425 537 A HA 0.520 4.728 4.320 -0.186 0.000 0.242 537 A C 0.102 177.730 177.584 0.074 0.000 1.077 537 A CA 0.027 52.116 52.037 0.087 0.000 0.781 537 A CB 0.365 19.400 19.000 0.059 0.000 1.020 537 A HN 0.735 nan 8.150 nan 0.000 0.494 538 T N -0.516 114.066 114.554 0.047 0.000 2.863 538 T HA 0.447 4.685 4.350 -0.186 0.000 0.285 538 T C -0.279 174.427 174.700 0.011 0.000 1.009 538 T CA -0.564 61.552 62.100 0.026 0.000 0.989 538 T CB 1.048 69.933 68.868 0.028 0.000 1.004 538 T HN 0.535 nan 8.240 nan 0.000 0.455 539 D N 2.129 122.526 120.400 -0.005 0.000 2.369 539 D HA 0.181 4.709 4.640 -0.186 0.000 0.211 539 D C 0.215 176.511 176.300 -0.008 0.000 1.077 539 D CA 0.334 54.331 54.000 -0.005 0.000 0.842 539 D CB 0.663 41.458 40.800 -0.010 0.000 0.947 539 D HN 0.464 nan 8.370 nan 0.000 0.509 540 T N 0.489 115.033 114.554 -0.016 0.000 2.837 540 T HA 0.511 4.749 4.350 -0.186 0.000 0.285 540 T C 0.317 175.030 174.700 0.021 0.000 0.984 540 T CA -0.496 61.596 62.100 -0.013 0.000 1.049 540 T CB 1.963 70.781 68.868 -0.083 0.000 0.947 540 T HN -0.073 nan 8.240 nan 0.000 0.472 541 A N 3.510 126.347 122.820 0.029 0.000 3.245 541 A HA 0.322 4.530 4.320 -0.186 0.000 0.282 541 A C -0.530 177.083 177.584 0.048 0.000 1.417 541 A CA -0.416 51.625 52.037 0.006 0.000 1.149 541 A CB -0.466 18.504 19.000 -0.050 0.000 1.155 541 A HN 0.730 nan 8.150 nan 0.000 0.602 542 Y N 2.443 122.717 120.300 -0.042 0.000 2.595 542 Y HA 0.644 5.082 4.550 -0.187 0.000 0.336 542 Y C -0.409 175.496 175.900 0.008 0.000 0.996 542 Y CA -1.677 56.431 58.100 0.013 0.000 1.260 542 Y CB 0.159 38.669 38.460 0.084 0.000 1.108 542 Y HN 0.537 nan 8.280 nan 0.000 0.509 543 M N 6.776 126.475 119.600 0.166 0.000 2.664 543 M HA 0.515 4.883 4.480 -0.186 0.000 0.314 543 M C -1.461 175.021 176.300 0.303 0.000 1.200 543 M CA -1.118 54.221 55.300 0.065 0.000 0.916 543 M CB 2.526 35.040 32.600 -0.142 0.000 1.717 543 M HN 0.456 nan 8.290 nan 0.000 0.470 544 Y N -1.474 118.949 120.300 0.206 0.000 2.524 544 Y HA 0.811 5.249 4.550 -0.186 0.000 0.347 544 Y C -0.548 175.405 175.900 0.089 0.000 1.005 544 Y CA -1.453 56.763 58.100 0.193 0.000 1.025 544 Y CB 0.879 39.321 38.460 -0.029 0.000 1.275 544 Y HN 0.750 nan 8.280 nan 0.000 0.460 545 S N 1.671 117.438 115.700 0.112 0.000 2.610 545 S HA 0.799 5.157 4.470 -0.186 0.000 0.273 545 S C -0.306 174.248 174.600 -0.078 0.000 1.274 545 S CA 0.082 58.087 58.200 -0.324 0.000 1.023 545 S CB 1.668 64.677 63.200 -0.319 0.000 0.962 545 S HN 1.148 nan 8.310 nan 0.000 0.523 546 T N 0.640 115.051 114.554 -0.238 0.000 2.775 546 T HA 0.411 4.649 4.350 -0.186 0.000 0.320 546 T C -2.253 172.348 174.700 -0.165 0.000 1.597 546 T CA -0.574 61.520 62.100 -0.009 0.000 1.022 546 T CB 0.611 69.542 68.868 0.104 0.000 1.485 546 T HN 0.573 nan 8.240 nan 0.000 0.494 547 Y N 2.149 122.445 120.300 -0.008 0.000 2.880 547 Y HA 0.570 5.008 4.550 -0.187 0.000 0.329 547 Y C 0.722 176.628 175.900 0.011 0.000 1.156 547 Y CA -0.403 57.696 58.100 -0.002 0.000 1.348 547 Y CB 0.708 39.179 38.460 0.018 0.000 1.280 547 Y HN 0.611 nan 8.280 nan 0.000 0.516 548 E N -0.047 120.169 120.200 0.027 0.000 2.604 548 E HA 0.334 4.572 4.350 -0.186 0.000 0.201 548 E C 0.548 177.160 176.600 0.021 0.000 0.728 548 E CA -0.434 55.989 56.400 0.039 0.000 1.030 548 E CB 1.116 30.839 29.700 0.039 0.000 1.759 548 E HN 0.263 nan 8.360 nan 0.000 0.377 549 E N 0.487 120.699 120.200 0.020 0.000 2.083 549 E HA 0.055 4.293 4.350 -0.186 0.000 0.193 549 E C -0.109 176.497 176.600 0.010 0.000 0.950 549 E CA 0.396 56.808 56.400 0.020 0.000 0.849 549 E CB -0.031 29.684 29.700 0.025 0.000 0.827 549 E HN 0.354 nan 8.360 nan 0.000 0.465 550 E N 0.330 120.535 120.200 0.007 0.000 2.366 550 E HA 0.102 4.340 4.350 -0.186 0.000 0.266 550 E C -1.042 175.558 176.600 0.000 0.000 1.051 550 E CA -0.151 56.254 56.400 0.008 0.000 0.884 550 E CB 1.071 30.776 29.700 0.009 0.000 1.006 550 E HN 0.053 nan 8.360 nan 0.000 0.417 551 C N 4.383 123.693 119.300 0.017 0.000 2.345 551 C HA 0.308 4.657 4.460 -0.186 0.000 0.323 551 C C 0.439 175.454 174.990 0.042 0.000 1.276 551 C CA -0.385 58.656 59.018 0.039 0.000 1.543 551 C CB -0.007 27.777 27.740 0.074 0.000 2.211 551 C HN 0.866 nan 8.230 nan 0.000 0.493 552 E N 3.382 123.608 120.200 0.044 0.000 2.444 552 E HA 0.109 4.347 4.350 -0.186 0.000 0.191 552 E C 1.556 178.175 176.600 0.032 0.000 1.041 552 E CA 0.263 56.679 56.400 0.026 0.000 0.883 552 E CB 0.428 30.127 29.700 -0.002 0.000 1.024 552 E HN 0.809 nan 8.360 nan 0.000 0.470 553 A N 2.438 125.299 122.820 0.069 0.000 1.835 553 A HA -0.206 4.002 4.320 -0.186 0.000 0.215 553 A C 0.832 178.417 177.584 0.001 0.000 1.199 553 A CA 0.928 52.978 52.037 0.022 0.000 0.615 553 A CB -0.328 18.692 19.000 0.034 0.000 0.838 553 A HN 0.326 nan 8.150 nan 0.000 0.444 554 N N -0.646 118.064 118.700 0.016 0.000 2.696 554 N HA -0.099 4.529 4.740 -0.186 0.000 0.256 554 N C -2.603 172.910 175.510 0.005 0.000 1.031 554 N CA 1.079 54.136 53.050 0.010 0.000 0.730 554 N CB -1.911 36.581 38.487 0.008 0.000 0.894 554 N HN 0.416 nan 8.380 nan 0.000 0.544 555 P HA 0.083 nan 4.420 nan 0.000 0.269 555 P C 0.262 177.567 177.300 0.008 0.000 1.209 555 P CA -0.048 63.057 63.100 0.009 0.000 0.776 555 P CB 0.572 32.275 31.700 0.005 0.000 0.876 556 S N 0.042 115.749 115.700 0.011 0.000 2.562 556 S HA 0.317 4.676 4.470 -0.186 0.000 0.275 556 S C 0.940 175.546 174.600 0.010 0.000 1.281 556 S CA 0.044 58.251 58.200 0.011 0.000 1.045 556 S CB 0.471 63.679 63.200 0.013 0.000 0.962 556 S HN 0.566 nan 8.310 nan 0.000 0.503 557 T N -1.166 113.392 114.554 0.008 0.000 3.023 557 T HA 0.161 4.399 4.350 -0.186 0.000 0.253 557 T C 0.836 175.540 174.700 0.007 0.000 1.038 557 T CA -0.005 62.099 62.100 0.007 0.000 0.962 557 T CB -0.189 68.682 68.868 0.004 0.000 1.018 557 T HN 0.513 nan 8.240 nan 0.000 0.521 558 D N 2.114 122.519 120.400 0.007 0.000 2.119 558 D HA 0.031 4.559 4.640 -0.186 0.000 0.199 558 D C 1.300 177.603 176.300 0.005 0.000 0.987 558 D CA 1.069 55.072 54.000 0.004 0.000 0.858 558 D CB 0.039 40.842 40.800 0.004 0.000 1.008 558 D HN 0.339 nan 8.370 nan 0.000 0.450 559 R N 0.319 120.826 120.500 0.011 0.000 2.580 559 R HA 0.298 4.526 4.340 -0.186 0.000 0.267 559 R C 0.048 176.371 176.300 0.038 0.000 1.125 559 R CA -0.362 55.747 56.100 0.016 0.000 1.188 559 R CB 0.557 30.872 30.300 0.026 0.000 1.155 559 R HN 0.153 nan 8.270 nan 0.000 0.586 560 E N 1.422 121.658 120.200 0.061 0.000 2.167 560 E HA 0.099 4.337 4.350 -0.186 0.000 0.284 560 E C -0.949 175.774 176.600 0.205 0.000 1.016 560 E CA -0.202 56.275 56.400 0.128 0.000 0.817 560 E CB 1.215 31.016 29.700 0.169 0.000 1.080 560 E HN 0.202 nan 8.360 nan 0.000 0.397 561 K N 3.545 124.020 120.400 0.126 0.000 2.206 561 K HA 0.496 4.704 4.320 -0.186 0.000 0.264 561 K C -0.433 176.173 176.600 0.009 0.000 0.967 561 K CA -0.522 55.812 56.287 0.079 0.000 0.844 561 K CB 1.628 34.152 32.500 0.041 0.000 1.099 561 K HN 0.307 nan 8.250 nan 0.000 0.441 562 I N 3.648 124.189 120.570 -0.047 0.000 2.418 562 I HA 0.263 4.322 4.170 -0.186 0.000 0.287 562 I C -0.717 175.344 176.117 -0.093 0.000 1.008 562 I CA -0.618 60.594 61.300 -0.146 0.000 1.104 562 I CB 1.644 39.437 38.000 -0.346 0.000 1.264 562 I HN 0.687 nan 8.210 nan 0.000 0.438 563 M N 6.961 126.508 119.600 -0.088 0.000 2.113 563 M HA 0.430 4.798 4.480 -0.186 0.000 0.352 563 M C -1.213 175.040 176.300 -0.078 0.000 1.170 563 M CA -0.446 54.816 55.300 -0.063 0.000 1.053 563 M CB 1.147 33.709 32.600 -0.063 0.000 1.601 563 M HN 0.298 nan 8.290 nan 0.000 0.459 564 V N 6.702 126.584 119.914 -0.053 0.000 2.435 564 V HA 0.419 4.427 4.120 -0.186 0.000 0.290 564 V C -0.264 175.815 176.094 -0.025 0.000 1.030 564 V CA -0.722 61.546 62.300 -0.053 0.000 0.881 564 V CB 1.586 33.392 31.823 -0.029 0.000 0.983 564 V HN 0.753 nan 8.190 nan 0.000 0.445 565 L N 4.783 125.992 121.223 -0.024 0.000 2.276 565 L HA 0.583 4.811 4.340 -0.186 0.000 0.286 565 L C 1.019 177.890 176.870 0.002 0.000 1.024 565 L CA -0.210 54.620 54.840 -0.017 0.000 0.826 565 L CB 1.207 43.250 42.059 -0.028 0.000 1.211 565 L HN 0.802 nan 8.230 nan 0.000 0.422 566 G N 1.724 110.520 108.800 -0.007 0.000 2.570 566 G HA2 0.333 4.182 3.960 -0.186 0.000 0.276 566 G HA3 0.333 4.182 3.960 -0.186 0.000 0.276 566 G C 0.729 175.617 174.900 -0.020 0.000 1.346 566 G CA 0.138 45.239 45.100 0.001 0.000 1.034 566 G HN 0.732 nan 8.290 nan 0.000 0.512 567 G N -1.621 107.166 108.800 -0.021 0.000 3.690 567 G HA2 0.558 4.407 3.960 -0.186 0.000 0.283 567 G HA3 0.558 4.407 3.960 -0.186 0.000 0.283 567 G C 0.869 175.736 174.900 -0.055 0.000 1.057 567 G CA 0.804 45.871 45.100 -0.055 0.000 0.821 567 G HN 1.815 nan 8.290 nan 0.000 0.526 568 G N 0.924 109.689 108.800 -0.058 0.000 2.525 568 G HA2 -0.195 3.653 3.960 -0.186 0.000 0.248 568 G HA3 -0.195 3.653 3.960 -0.186 0.000 0.248 568 G C -2.463 172.411 174.900 -0.043 0.000 1.238 568 G CA -0.275 44.791 45.100 -0.057 0.000 0.926 568 G HN 0.381 nan 8.290 nan 0.000 0.574 569 P HA 0.235 nan 4.420 nan 0.000 0.271 569 P C -0.149 177.139 177.300 -0.020 0.000 1.216 569 P CA -0.088 62.997 63.100 -0.025 0.000 0.776 569 P CB 0.222 31.909 31.700 -0.023 0.000 0.881 570 N N 2.344 121.035 118.700 -0.015 0.000 2.482 570 N HA 0.350 4.979 4.740 -0.186 0.000 0.260 570 N C 0.153 175.657 175.510 -0.009 0.000 1.236 570 N CA -0.056 52.996 53.050 0.003 0.000 0.938 570 N CB 0.384 38.878 38.487 0.012 0.000 1.128 570 N HN 0.343 nan 8.380 nan 0.000 0.448 571 R N 0.328 120.832 120.500 0.008 0.000 2.752 571 R HA 0.445 4.674 4.340 -0.186 0.000 0.271 571 R C -0.955 175.359 176.300 0.023 0.000 1.026 571 R CA -0.789 55.314 56.100 0.005 0.000 0.901 571 R CB 1.041 31.337 30.300 -0.006 0.000 1.243 571 R HN 0.412 nan 8.270 nan 0.000 0.463 572 I N 1.931 122.515 120.570 0.024 0.000 2.668 572 I HA 0.112 4.170 4.170 -0.186 0.000 0.285 572 I C 1.130 177.248 176.117 0.003 0.000 1.168 572 I CA 1.721 63.033 61.300 0.021 0.000 1.424 572 I CB 0.495 38.513 38.000 0.030 0.000 1.377 572 I HN 0.980 nan 8.210 nan 0.000 0.560 573 G N 4.941 113.761 108.800 0.033 0.000 2.213 573 G HA2 -0.205 3.644 3.960 -0.186 0.000 0.236 573 G HA3 -0.205 3.644 3.960 -0.186 0.000 0.236 573 G C 0.252 175.263 174.900 0.186 0.000 0.991 573 G CA -0.363 44.780 45.100 0.071 0.000 0.629 573 G HN 0.557 nan 8.290 nan 0.000 0.517 574 Q N 0.754 120.650 119.800 0.161 0.000 3.048 574 Q HA 0.516 4.744 4.340 -0.186 0.000 0.337 574 Q C 0.666 176.819 176.000 0.255 0.000 0.845 574 Q CA 0.245 56.171 55.803 0.205 0.000 0.942 574 Q CB 0.845 29.557 28.738 -0.045 0.000 1.454 574 Q HN 0.576 nan 8.270 nan 0.000 0.392 575 G N 0.240 109.215 108.800 0.293 0.000 2.543 575 G HA2 0.325 4.173 3.960 -0.186 0.000 0.267 575 G HA3 0.325 4.173 3.960 -0.186 0.000 0.267 575 G C 0.785 175.771 174.900 0.144 0.000 1.406 575 G CA -0.611 44.577 45.100 0.146 0.000 1.048 575 G HN 0.438 nan 8.290 nan 0.000 0.548 576 I N -0.200 120.400 120.570 0.051 0.000 2.530 576 I HA -0.179 3.879 4.170 -0.186 0.000 0.257 576 I C 2.544 178.653 176.117 -0.012 0.000 1.179 576 I CA 1.405 62.729 61.300 0.041 0.000 1.440 576 I CB -0.017 38.001 38.000 0.030 0.000 1.087 576 I HN 0.557 nan 8.210 nan 0.000 0.440 577 E N 0.580 120.677 120.200 -0.172 0.000 2.114 577 E HA -0.262 3.976 4.350 -0.186 0.000 0.199 577 E C 1.806 178.133 176.600 -0.455 0.000 1.008 577 E CA 1.942 58.088 56.400 -0.423 0.000 0.810 577 E CB -0.435 28.858 29.700 -0.678 0.000 0.739 577 E HN 0.538 nan 8.360 nan 0.000 0.456 578 F N 0.286 120.237 119.950 0.001 0.000 2.234 578 F HA -0.001 4.412 4.527 -0.190 0.000 0.296 578 F C 2.078 177.896 175.800 0.029 0.000 1.089 578 F CA 1.013 59.015 58.000 0.004 0.000 1.343 578 F CB -0.496 38.508 39.000 0.007 0.000 1.040 578 F HN -0.037 nan 8.300 nan 0.000 0.498 579 D N -0.707 119.811 120.400 0.196 0.000 2.123 579 D HA -0.283 4.245 4.640 -0.186 0.000 0.196 579 D C 2.152 178.503 176.300 0.086 0.000 0.992 579 D CA 1.205 55.280 54.000 0.125 0.000 0.833 579 D CB -0.327 40.529 40.800 0.092 0.000 0.954 579 D HN 0.285 nan 8.370 nan 0.000 0.455 580 Y N 0.436 120.686 120.300 -0.084 0.000 2.139 580 Y HA -0.346 4.092 4.550 -0.186 0.000 0.282 580 Y C 2.296 178.039 175.900 -0.261 0.000 1.179 580 Y CA 1.719 59.699 58.100 -0.200 0.000 1.161 580 Y CB -0.471 37.831 38.460 -0.264 0.000 0.970 580 Y HN 0.164 nan 8.280 nan 0.000 0.511 581 C N -1.126 118.167 119.300 -0.012 0.000 2.432 581 C HA -0.210 4.138 4.460 -0.186 0.000 0.277 581 C C 2.988 178.088 174.990 0.183 0.000 1.249 581 C CA 1.032 59.997 59.018 -0.088 0.000 1.725 581 C CB -1.629 25.943 27.740 -0.281 0.000 2.028 581 C HN 0.783 nan 8.230 nan 0.000 0.477 582 C N 0.260 119.690 119.300 0.216 0.000 2.413 582 C HA -0.093 4.255 4.460 -0.186 0.000 0.276 582 C C 2.732 177.811 174.990 0.150 0.000 1.236 582 C CA 1.167 60.327 59.018 0.236 0.000 1.735 582 C CB -1.346 26.486 27.740 0.153 0.000 2.031 582 C HN 0.536 nan 8.230 nan 0.000 0.474 583 V N -0.013 119.946 119.914 0.075 0.000 2.233 583 V HA -0.298 3.710 4.120 -0.186 0.000 0.247 583 V C 2.281 178.445 176.094 0.116 0.000 1.050 583 V CA 2.286 64.617 62.300 0.052 0.000 1.010 583 V CB -1.091 30.723 31.823 -0.016 0.000 0.637 583 V HN 0.646 nan 8.190 nan 0.000 0.444 584 H N -0.322 118.699 119.070 -0.082 0.000 2.394 584 H HA -0.231 4.214 4.556 -0.185 0.000 0.297 584 H C 2.306 177.669 175.328 0.059 0.000 1.113 584 H CA 1.266 57.280 56.048 -0.057 0.000 1.277 584 H CB 0.004 29.709 29.762 -0.095 0.000 1.370 584 H HN 0.494 nan 8.280 nan 0.000 0.506 585 A N -0.046 122.940 122.820 0.277 0.000 1.933 585 A HA -0.183 4.026 4.320 -0.186 0.000 0.218 585 A C 2.546 180.157 177.584 0.046 0.000 1.175 585 A CA 1.697 53.828 52.037 0.155 0.000 0.628 585 A CB -0.551 18.479 19.000 0.050 0.000 0.814 585 A HN 0.371 nan 8.150 nan 0.000 0.444 586 S N -0.536 115.195 115.700 0.052 0.000 2.345 586 S HA -0.044 4.314 4.470 -0.186 0.000 0.219 586 S C 1.978 176.594 174.600 0.028 0.000 1.031 586 S CA 1.084 59.300 58.200 0.026 0.000 0.984 586 S CB -0.486 62.730 63.200 0.028 0.000 0.874 586 S HN 0.462 nan 8.310 nan 0.000 0.451 587 L N 1.283 122.519 121.223 0.021 0.000 2.021 587 L HA -0.221 4.008 4.340 -0.186 0.000 0.215 587 L C 2.932 179.798 176.870 -0.006 0.000 1.074 587 L CA 1.798 56.634 54.840 -0.006 0.000 0.760 587 L CB -1.205 40.824 42.059 -0.050 0.000 0.889 587 L HN 0.480 nan 8.230 nan 0.000 0.433 588 A N 0.188 123.005 122.820 -0.004 0.000 1.835 588 A HA -0.189 4.019 4.320 -0.186 0.000 0.215 588 A C 2.183 179.804 177.584 0.061 0.000 1.199 588 A CA 1.573 53.617 52.037 0.011 0.000 0.615 588 A CB -0.800 18.214 19.000 0.023 0.000 0.838 588 A HN 0.378 nan 8.150 nan 0.000 0.444 589 L N -1.142 120.127 121.223 0.076 0.000 2.093 589 L HA -0.140 4.088 4.340 -0.186 0.000 0.208 589 L C 2.797 179.824 176.870 0.262 0.000 1.085 589 L CA 1.602 56.556 54.840 0.191 0.000 0.755 589 L CB -0.590 41.465 42.059 -0.006 0.000 0.904 589 L HN 0.517 nan 8.230 nan 0.000 0.435 590 R N 1.079 121.660 120.500 0.136 0.000 2.083 590 R HA -0.256 3.972 4.340 -0.186 0.000 0.237 590 R C 2.110 178.458 176.300 0.080 0.000 1.137 590 R CA 2.014 58.180 56.100 0.110 0.000 0.951 590 R CB -0.155 30.183 30.300 0.063 0.000 0.851 590 R HN 0.229 nan 8.270 nan 0.000 0.434 591 E N 0.229 120.463 120.200 0.057 0.000 2.401 591 E HA -0.144 4.094 4.350 -0.186 0.000 0.199 591 E C -0.169 176.446 176.600 0.026 0.000 1.023 591 E CA 1.166 57.583 56.400 0.029 0.000 0.859 591 E CB 0.111 29.818 29.700 0.013 0.000 0.780 591 E HN 0.329 nan 8.360 nan 0.000 0.523 592 D N -0.886 119.548 120.400 0.056 0.000 2.755 592 D HA 0.220 4.748 4.640 -0.186 0.000 0.257 592 D C 0.524 176.767 176.300 -0.095 0.000 1.291 592 D CA 0.540 54.553 54.000 0.022 0.000 0.836 592 D CB 0.312 41.182 40.800 0.118 0.000 1.059 592 D HN 0.222 nan 8.370 nan 0.000 0.486 593 G N 0.289 109.050 108.800 -0.066 0.000 2.200 593 G HA2 -0.363 3.486 3.960 -0.186 0.000 0.267 593 G HA3 -0.363 3.486 3.960 -0.186 0.000 0.267 593 G C 0.161 174.979 174.900 -0.136 0.000 0.993 593 G CA 0.463 45.498 45.100 -0.109 0.000 0.701 593 G HN 0.358 nan 8.290 nan 0.000 0.524 594 Y N -0.177 120.120 120.300 -0.004 0.000 2.326 594 Y HA 0.498 4.937 4.550 -0.185 0.000 0.324 594 Y C 0.922 176.820 175.900 -0.002 0.000 1.291 594 Y CA -0.614 57.483 58.100 -0.005 0.000 1.348 594 Y CB 0.808 39.264 38.460 -0.007 0.000 1.294 594 Y HN 0.177 nan 8.280 nan 0.000 0.525 595 E N 1.366 121.706 120.200 0.233 0.000 2.044 595 E HA 0.186 4.424 4.350 -0.186 0.000 0.282 595 E C -0.970 175.691 176.600 0.102 0.000 1.031 595 E CA -0.523 55.951 56.400 0.124 0.000 0.824 595 E CB 0.378 30.128 29.700 0.084 0.000 1.076 595 E HN 0.638 nan 8.360 nan 0.000 0.395 596 T N 2.398 116.999 114.554 0.078 0.000 2.799 596 T HA 0.504 4.742 4.350 -0.186 0.000 0.286 596 T C 0.202 174.926 174.700 0.041 0.000 0.973 596 T CA -0.712 61.413 62.100 0.041 0.000 1.035 596 T CB 0.633 69.521 68.868 0.032 0.000 0.932 596 T HN 0.336 nan 8.240 nan 0.000 0.469 597 I N 3.516 124.107 120.570 0.035 0.000 2.411 597 I HA 0.319 4.377 4.170 -0.186 0.000 0.284 597 I C -0.358 175.797 176.117 0.064 0.000 1.012 597 I CA -0.950 60.391 61.300 0.068 0.000 1.119 597 I CB 1.825 39.877 38.000 0.087 0.000 1.261 597 I HN 0.567 nan 8.210 nan 0.000 0.448 598 M N 7.737 127.378 119.600 0.068 0.000 2.216 598 M HA 0.421 4.789 4.480 -0.186 0.000 0.356 598 M C -1.051 175.297 176.300 0.080 0.000 1.205 598 M CA -0.188 55.141 55.300 0.047 0.000 1.122 598 M CB 1.247 33.856 32.600 0.016 0.000 1.571 598 M HN 0.274 nan 8.290 nan 0.000 0.464 599 V N 5.750 125.686 119.914 0.036 0.000 2.357 599 V HA 0.600 4.609 4.120 -0.186 0.000 0.281 599 V C -0.621 175.447 176.094 -0.043 0.000 1.015 599 V CA -0.599 61.721 62.300 0.033 0.000 0.827 599 V CB 0.716 32.549 31.823 0.017 0.000 1.018 599 V HN 0.933 nan 8.190 nan 0.000 0.432 600 N N 2.379 121.003 118.700 -0.126 0.000 2.927 600 N HA 0.525 5.153 4.740 -0.186 0.000 0.248 600 N C -0.232 174.942 175.510 -0.561 0.000 1.443 600 N CA -0.243 52.660 53.050 -0.244 0.000 0.870 600 N CB 2.149 40.507 38.487 -0.215 0.000 1.444 600 N HN 0.575 nan 8.380 nan 0.000 0.519 601 C N -0.564 118.405 119.300 -0.553 0.000 3.359 601 C HA 0.519 4.867 4.460 -0.186 0.000 0.258 601 C C 0.061 174.840 174.990 -0.351 0.000 1.840 601 C CA -0.955 57.612 59.018 -0.752 0.000 1.746 601 C CB -1.610 26.046 27.740 -0.140 0.000 3.306 601 C HN 0.567 nan 8.230 nan 0.000 0.485 602 N N 2.984 121.497 118.700 -0.311 0.000 2.439 602 N HA 0.356 4.985 4.740 -0.186 0.000 0.249 602 N C -1.113 174.412 175.510 0.025 0.000 1.003 602 N CA -2.216 50.792 53.050 -0.070 0.000 0.942 602 N CB 1.743 40.186 38.487 -0.073 0.000 1.115 602 N HN 0.212 nan 8.380 nan 0.000 0.505 603 P HA -0.077 nan 4.420 nan 0.000 0.221 603 P C 0.472 177.698 177.300 -0.124 0.000 1.150 603 P CA 1.054 64.250 63.100 0.160 0.000 0.800 603 P CB 0.514 32.276 31.700 0.103 0.000 0.787 604 E N -0.011 120.126 120.200 -0.105 0.000 2.268 604 E HA -0.051 4.188 4.350 -0.186 0.000 0.195 604 E C 0.888 177.408 176.600 -0.133 0.000 0.995 604 E CA 0.863 57.176 56.400 -0.144 0.000 0.836 604 E CB -0.147 29.505 29.700 -0.080 0.000 0.763 604 E HN 0.416 nan 8.360 nan 0.000 0.491 605 T N -3.210 111.277 114.554 -0.111 0.000 2.944 605 T HA 0.230 4.469 4.350 -0.186 0.000 0.284 605 T C 1.260 175.972 174.700 0.020 0.000 1.010 605 T CA -0.850 61.236 62.100 -0.023 0.000 1.025 605 T CB 1.864 70.729 68.868 -0.005 0.000 1.079 605 T HN -0.237 nan 8.240 nan 0.000 0.516 606 V N 1.698 121.682 119.914 0.117 0.000 2.515 606 V HA -0.133 3.875 4.120 -0.186 0.000 0.250 606 V C 3.033 179.164 176.094 0.061 0.000 1.058 606 V CA 2.197 64.586 62.300 0.148 0.000 1.064 606 V CB -1.023 30.859 31.823 0.098 0.000 0.675 606 V HN 1.098 nan 8.190 nan 0.000 0.461 607 S N 0.735 116.449 115.700 0.023 0.000 2.447 607 S HA -0.156 4.202 4.470 -0.186 0.000 0.233 607 S C 1.698 176.273 174.600 -0.040 0.000 1.006 607 S CA 1.496 59.692 58.200 -0.006 0.000 0.957 607 S CB -0.626 62.571 63.200 -0.006 0.000 0.773 607 S HN 0.720 nan 8.310 nan 0.000 0.507 608 T N -1.226 113.295 114.554 -0.055 0.000 3.186 608 T HA 0.229 4.467 4.350 -0.186 0.000 0.257 608 T C -0.046 174.625 174.700 -0.049 0.000 1.029 608 T CA -0.436 61.629 62.100 -0.058 0.000 0.916 608 T CB -0.166 68.666 68.868 -0.060 0.000 1.041 608 T HN 0.294 nan 8.240 nan 0.000 0.562 609 D N 1.353 121.734 120.400 -0.030 0.000 2.277 609 D HA 0.086 4.614 4.640 -0.186 0.000 0.249 609 D C 1.192 177.418 176.300 -0.125 0.000 1.134 609 D CA -0.729 53.249 54.000 -0.037 0.000 0.863 609 D CB 0.904 41.731 40.800 0.046 0.000 1.143 609 D HN 0.398 nan 8.370 nan 0.000 0.458 610 Y N 2.450 122.681 120.300 -0.114 0.000 2.139 610 Y HA -0.206 4.232 4.550 -0.186 0.000 0.282 610 Y C 1.489 177.362 175.900 -0.046 0.000 1.179 610 Y CA 1.248 59.258 58.100 -0.150 0.000 1.161 610 Y CB -0.668 37.731 38.460 -0.101 0.000 0.970 610 Y HN 0.272 nan 8.280 nan 0.000 0.511 611 D N 0.226 120.593 120.400 -0.055 0.000 2.218 611 D HA -0.125 4.403 4.640 -0.186 0.000 0.204 611 D C 1.935 178.237 176.300 0.003 0.000 0.976 611 D CA 1.841 55.840 54.000 -0.001 0.000 0.853 611 D CB -0.366 40.371 40.800 -0.105 0.000 0.939 611 D HN 0.531 nan 8.370 nan 0.000 0.481 612 T N -0.224 114.321 114.554 -0.014 0.000 2.881 612 T HA -0.052 4.186 4.350 -0.186 0.000 0.270 612 T C 1.155 175.864 174.700 0.015 0.000 1.068 612 T CA 0.904 63.004 62.100 0.000 0.000 1.131 612 T CB 0.074 68.941 68.868 -0.001 0.000 0.871 612 T HN 0.236 nan 8.240 nan 0.000 0.479 613 S N -0.526 115.187 115.700 0.022 0.000 2.651 613 S HA 0.427 4.785 4.470 -0.186 0.000 0.279 613 S C -0.076 174.547 174.600 0.039 0.000 1.148 613 S CA -0.945 57.273 58.200 0.029 0.000 0.837 613 S CB 1.748 64.963 63.200 0.025 0.000 1.138 613 S HN -0.122 nan 8.310 nan 0.000 0.478 614 D N 0.855 121.278 120.400 0.039 0.000 2.097 614 D HA 0.056 4.584 4.640 -0.186 0.000 0.197 614 D C 0.281 176.597 176.300 0.026 0.000 0.984 614 D CA 1.309 55.332 54.000 0.038 0.000 0.826 614 D CB 0.048 40.873 40.800 0.041 0.000 0.973 614 D HN 0.497 nan 8.370 nan 0.000 0.460 615 R N -0.159 120.353 120.500 0.020 0.000 2.628 615 R HA 0.561 4.790 4.340 -0.186 0.000 0.288 615 R C -1.167 175.125 176.300 -0.014 0.000 0.980 615 R CA -0.799 55.288 56.100 -0.021 0.000 0.891 615 R CB 2.408 32.689 30.300 -0.031 0.000 1.188 615 R HN -0.080 nan 8.270 nan 0.000 0.450 616 L N 2.499 123.680 121.223 -0.071 0.000 2.381 616 L HA 0.466 4.695 4.340 -0.186 0.000 0.274 616 L C -1.757 175.094 176.870 -0.032 0.000 0.988 616 L CA -0.557 54.279 54.840 -0.005 0.000 0.824 616 L CB 1.290 43.336 42.059 -0.021 0.000 1.263 616 L HN 0.543 nan 8.230 nan 0.000 0.410 617 Y N 5.220 125.590 120.300 0.117 0.000 2.402 617 Y HA 0.335 4.773 4.550 -0.187 0.000 0.332 617 Y C -0.361 175.655 175.900 0.193 0.000 0.960 617 Y CA -0.208 57.996 58.100 0.174 0.000 1.228 617 Y CB 1.149 39.659 38.460 0.083 0.000 1.120 617 Y HN 0.557 nan 8.280 nan 0.000 0.491 618 F N 4.597 124.744 119.950 0.328 0.000 2.659 618 F HA 0.219 4.635 4.527 -0.186 0.000 0.360 618 F C 0.069 176.008 175.800 0.232 0.000 1.218 618 F CA -0.168 57.992 58.000 0.267 0.000 1.317 618 F CB -0.396 38.810 39.000 0.343 0.000 1.697 618 F HN 0.417 nan 8.300 nan 0.000 0.637 619 E N 2.922 123.261 120.200 0.232 0.000 2.339 619 E HA 0.396 4.634 4.350 -0.186 0.000 0.262 619 E C -2.660 173.994 176.600 0.090 0.000 0.934 619 E CA -2.369 54.162 56.400 0.219 0.000 0.802 619 E CB 1.213 31.056 29.700 0.239 0.000 1.275 619 E HN 0.038 nan 8.360 nan 0.000 0.427 620 P HA 0.061 nan 4.420 nan 0.000 0.271 620 P C 0.077 177.395 177.300 0.030 0.000 1.220 620 P CA -0.182 62.951 63.100 0.055 0.000 0.768 620 P CB 0.363 32.102 31.700 0.066 0.000 0.848 621 V N 3.925 123.839 119.914 -0.001 0.000 1.959 621 V HA 0.051 4.059 4.120 -0.186 0.000 0.242 621 V C 1.188 177.278 176.094 -0.005 0.000 1.613 621 V CA 0.547 62.839 62.300 -0.012 0.000 1.566 621 V CB -1.891 29.913 31.823 -0.032 0.000 1.547 621 V HN 0.684 nan 8.190 nan 0.000 0.503 622 T N -0.658 113.901 114.554 0.009 0.000 2.926 622 T HA 0.549 4.787 4.350 -0.186 0.000 0.289 622 T C 0.686 175.390 174.700 0.008 0.000 1.054 622 T CA -0.723 61.383 62.100 0.010 0.000 1.015 622 T CB 2.047 70.930 68.868 0.025 0.000 1.167 622 T HN 0.066 nan 8.240 nan 0.000 0.526 623 L N 0.897 122.124 121.223 0.007 0.000 1.989 623 L HA 0.022 4.251 4.340 -0.186 0.000 0.211 623 L C 2.651 179.531 176.870 0.016 0.000 1.071 623 L CA 2.560 57.402 54.840 0.005 0.000 0.749 623 L CB -1.061 41.001 42.059 0.005 0.000 0.890 623 L HN 1.013 nan 8.230 nan 0.000 0.431 624 E N -0.730 119.489 120.200 0.032 0.000 2.012 624 E HA -0.272 3.967 4.350 -0.186 0.000 0.197 624 E C 1.789 178.425 176.600 0.061 0.000 1.007 624 E CA 1.851 58.283 56.400 0.053 0.000 0.816 624 E CB -0.302 29.439 29.700 0.067 0.000 0.762 624 E HN 0.584 nan 8.360 nan 0.000 0.451 625 D N 0.375 120.812 120.400 0.062 0.000 2.104 625 D HA -0.168 4.360 4.640 -0.186 0.000 0.194 625 D C 2.222 178.539 176.300 0.029 0.000 0.994 625 D CA 1.381 55.424 54.000 0.071 0.000 0.830 625 D CB -0.344 40.505 40.800 0.082 0.000 0.959 625 D HN 0.162 nan 8.370 nan 0.000 0.452 626 V N 1.706 121.620 119.914 -0.000 0.000 2.233 626 V HA -0.237 3.772 4.120 -0.186 0.000 0.247 626 V C 2.782 178.839 176.094 -0.061 0.000 1.050 626 V CA 1.242 63.514 62.300 -0.045 0.000 1.010 626 V CB -0.593 31.208 31.823 -0.037 0.000 0.637 626 V HN 0.205 nan 8.190 nan 0.000 0.444 627 L N -0.356 120.851 121.223 -0.027 0.000 2.089 627 L HA -0.227 4.001 4.340 -0.186 0.000 0.213 627 L C 2.745 179.599 176.870 -0.028 0.000 1.079 627 L CA 1.459 56.284 54.840 -0.024 0.000 0.758 627 L CB -0.724 41.337 42.059 0.003 0.000 0.891 627 L HN 0.383 nan 8.230 nan 0.000 0.433 628 E N 0.285 120.487 120.200 0.003 0.000 2.085 628 E HA -0.183 4.055 4.350 -0.186 0.000 0.194 628 E C 2.201 178.775 176.600 -0.044 0.000 0.994 628 E CA 1.266 57.685 56.400 0.032 0.000 0.801 628 E CB -0.170 29.600 29.700 0.116 0.000 0.743 628 E HN 0.547 nan 8.360 nan 0.000 0.453 629 I N 0.066 120.538 120.570 -0.163 0.000 2.286 629 I HA -0.195 3.863 4.170 -0.186 0.000 0.245 629 I C 2.343 178.292 176.117 -0.279 0.000 1.104 629 I CA 0.545 61.593 61.300 -0.420 0.000 1.397 629 I CB -0.311 37.282 38.000 -0.678 0.000 1.072 629 I HN -0.081 nan 8.210 nan 0.000 0.417 630 V N 1.036 120.844 119.914 -0.177 0.000 2.490 630 V HA -0.264 3.745 4.120 -0.186 0.000 0.250 630 V C 2.656 178.691 176.094 -0.098 0.000 1.061 630 V CA 1.711 63.939 62.300 -0.121 0.000 1.064 630 V CB -0.804 30.966 31.823 -0.087 0.000 0.670 630 V HN 0.402 nan 8.190 nan 0.000 0.461 631 R N 0.136 120.578 120.500 -0.098 0.000 2.096 631 R HA -0.137 4.091 4.340 -0.186 0.000 0.235 631 R C 2.211 178.454 176.300 -0.094 0.000 1.127 631 R CA 2.063 58.106 56.100 -0.096 0.000 0.968 631 R CB -0.137 30.092 30.300 -0.118 0.000 0.861 631 R HN 0.753 nan 8.270 nan 0.000 0.440 632 I N -2.939 117.571 120.570 -0.101 0.000 2.927 632 I HA 0.072 4.130 4.170 -0.186 0.000 0.268 632 I C 1.493 177.571 176.117 -0.065 0.000 1.153 632 I CA 0.360 61.615 61.300 -0.077 0.000 1.459 632 I CB -0.201 37.760 38.000 -0.065 0.000 1.149 632 I HN -0.138 nan 8.210 nan 0.000 0.443 633 E N 2.043 122.189 120.200 -0.090 0.000 2.106 633 E HA -0.119 4.120 4.350 -0.186 0.000 0.192 633 E C 0.351 176.926 176.600 -0.040 0.000 0.984 633 E CA 0.554 56.918 56.400 -0.059 0.000 0.806 633 E CB -0.200 29.454 29.700 -0.077 0.000 0.750 633 E HN 0.449 nan 8.360 nan 0.000 0.458 634 K N 0.918 121.288 120.400 -0.051 0.000 3.451 634 K HA -0.144 4.064 4.320 -0.186 0.000 0.273 634 K C -2.463 174.122 176.600 -0.025 0.000 0.944 634 K CA 0.141 56.406 56.287 -0.036 0.000 0.734 634 K CB -0.931 31.553 32.500 -0.026 0.000 1.437 634 K HN 0.195 nan 8.250 nan 0.000 0.454 635 P HA -0.056 nan 4.420 nan 0.000 0.271 635 P C 0.502 177.792 177.300 -0.016 0.000 1.233 635 P CA -0.201 62.886 63.100 -0.023 0.000 0.789 635 P CB 0.845 32.521 31.700 -0.041 0.000 0.951 636 K N 0.036 120.433 120.400 -0.005 0.000 2.031 636 K HA 0.049 4.258 4.320 -0.186 0.000 0.205 636 K C 0.927 177.510 176.600 -0.028 0.000 1.049 636 K CA 1.383 57.672 56.287 0.003 0.000 0.939 636 K CB -0.337 32.191 32.500 0.048 0.000 0.717 636 K HN 0.733 nan 8.250 nan 0.000 0.438 637 G N -0.655 108.108 108.800 -0.061 0.000 2.692 637 G HA2 0.473 4.322 3.960 -0.186 0.000 0.291 637 G HA3 0.473 4.322 3.960 -0.186 0.000 0.291 637 G C -1.841 173.000 174.900 -0.098 0.000 1.423 637 G CA -0.611 44.440 45.100 -0.082 0.000 0.843 637 G HN -0.055 nan 8.290 nan 0.000 0.486 638 V N 1.141 120.998 119.914 -0.094 0.000 2.482 638 V HA 0.405 4.414 4.120 -0.186 0.000 0.295 638 V C -0.260 175.768 176.094 -0.110 0.000 1.026 638 V CA -0.507 61.736 62.300 -0.095 0.000 0.856 638 V CB 1.436 33.215 31.823 -0.073 0.000 1.001 638 V HN 0.651 nan 8.190 nan 0.000 0.424 639 I N 5.355 125.840 120.570 -0.142 0.000 2.325 639 I HA 0.274 4.332 4.170 -0.186 0.000 0.291 639 I C 0.731 176.777 176.117 -0.119 0.000 1.019 639 I CA -0.188 61.004 61.300 -0.180 0.000 1.302 639 I CB 1.644 39.453 38.000 -0.318 0.000 1.401 639 I HN 0.599 nan 8.210 nan 0.000 0.485 640 V N 2.549 122.416 119.914 -0.079 0.000 3.159 640 V HA 0.265 4.274 4.120 -0.186 0.000 0.333 640 V C 0.590 176.690 176.094 0.010 0.000 1.424 640 V CA 0.043 62.323 62.300 -0.033 0.000 1.125 640 V CB 0.213 32.016 31.823 -0.034 0.000 1.075 640 V HN 0.792 nan 8.190 nan 0.000 0.482 641 Q N -1.130 118.698 119.800 0.047 0.000 2.247 641 Q HA 0.388 4.616 4.340 -0.186 0.000 0.211 641 Q C 1.182 177.384 176.000 0.337 0.000 0.861 641 Q CA 0.370 56.261 55.803 0.147 0.000 0.949 641 Q CB 0.210 29.038 28.738 0.150 0.000 1.115 641 Q HN 0.705 nan 8.270 nan 0.000 0.507 642 Y N -0.707 119.626 120.300 0.055 0.000 2.503 642 Y HA 0.308 4.746 4.550 -0.186 0.000 0.277 642 Y C 2.081 178.086 175.900 0.174 0.000 1.102 642 Y CA 0.434 58.608 58.100 0.123 0.000 1.261 642 Y CB -0.198 38.316 38.460 0.090 0.000 1.096 642 Y HN 0.143 nan 8.280 nan 0.000 0.546 643 G N -0.265 108.653 108.800 0.197 0.000 2.956 643 G HA2 0.364 4.212 3.960 -0.186 0.000 0.207 643 G HA3 0.364 4.212 3.960 -0.186 0.000 0.207 643 G C 0.899 175.680 174.900 -0.198 0.000 1.162 643 G CA 0.653 45.792 45.100 0.065 0.000 0.796 643 G HN 0.630 nan 8.290 nan 0.000 0.527 644 G N -0.412 108.175 108.800 -0.355 0.000 2.615 644 G HA2 -0.253 3.596 3.960 -0.186 0.000 0.218 644 G HA3 -0.253 3.596 3.960 -0.186 0.000 0.218 644 G C 0.708 175.379 174.900 -0.382 0.000 1.339 644 G CA 0.166 44.768 45.100 -0.830 0.000 0.884 644 G HN 0.100 nan 8.290 nan 0.000 0.559 645 Q N -0.564 119.017 119.800 -0.365 0.000 2.170 645 Q HA -0.078 4.150 4.340 -0.186 0.000 0.203 645 Q C 2.919 178.835 176.000 -0.141 0.000 0.976 645 Q CA 2.297 57.981 55.803 -0.197 0.000 0.858 645 Q CB -0.690 27.954 28.738 -0.156 0.000 0.907 645 Q HN 0.705 nan 8.270 nan 0.000 0.433 646 T N 1.625 116.090 114.554 -0.149 0.000 2.614 646 T HA -0.106 4.133 4.350 -0.186 0.000 0.263 646 T C -1.061 173.595 174.700 -0.073 0.000 1.055 646 T CA 1.705 63.748 62.100 -0.096 0.000 1.162 646 T CB -1.135 67.682 68.868 -0.086 0.000 0.863 646 T HN 0.271 nan 8.240 nan 0.000 0.414 647 P HA 0.032 nan 4.420 nan 0.000 0.220 647 P C 1.645 178.918 177.300 -0.045 0.000 1.148 647 P CA 0.685 63.756 63.100 -0.048 0.000 0.803 647 P CB -0.189 31.492 31.700 -0.033 0.000 0.782 648 L N -0.222 120.967 121.223 -0.057 0.000 2.083 648 L HA -0.090 4.139 4.340 -0.186 0.000 0.209 648 L C 2.086 178.931 176.870 -0.043 0.000 1.083 648 L CA 1.854 56.665 54.840 -0.048 0.000 0.752 648 L CB -0.590 41.433 42.059 -0.061 0.000 0.899 648 L HN -0.181 nan 8.230 nan 0.000 0.433 649 K N -0.911 119.460 120.400 -0.048 0.000 2.525 649 K HA 0.027 4.235 4.320 -0.186 0.000 0.192 649 K C 1.630 178.211 176.600 -0.031 0.000 1.029 649 K CA 0.439 56.703 56.287 -0.039 0.000 1.029 649 K CB 0.119 32.595 32.500 -0.041 0.000 0.814 649 K HN 0.345 nan 8.250 nan 0.000 0.503 650 L N -0.407 120.797 121.223 -0.031 0.000 2.354 650 L HA 0.095 4.323 4.340 -0.186 0.000 0.212 650 L C 2.367 179.223 176.870 -0.024 0.000 1.091 650 L CA 0.245 55.070 54.840 -0.026 0.000 0.828 650 L CB -0.453 41.590 42.059 -0.027 0.000 0.973 650 L HN 0.120 nan 8.230 nan 0.000 0.461 651 A N 1.146 123.951 122.820 -0.026 0.000 1.893 651 A HA -0.374 3.835 4.320 -0.186 0.000 0.222 651 A C 2.324 179.897 177.584 -0.020 0.000 1.309 651 A CA 2.694 54.717 52.037 -0.024 0.000 0.681 651 A CB -0.746 18.241 19.000 -0.022 0.000 0.842 651 A HN 0.308 nan 8.150 nan 0.000 0.468 652 R N -1.081 119.408 120.500 -0.018 0.000 2.082 652 R HA -0.084 4.144 4.340 -0.186 0.000 0.234 652 R C 2.559 178.851 176.300 -0.013 0.000 1.136 652 R CA 1.812 57.904 56.100 -0.014 0.000 0.935 652 R CB -0.621 29.671 30.300 -0.014 0.000 0.842 652 R HN 0.562 nan 8.270 nan 0.000 0.430 653 A N 0.528 123.340 122.820 -0.014 0.000 1.940 653 A HA -0.168 4.040 4.320 -0.186 0.000 0.219 653 A C 2.173 179.749 177.584 -0.012 0.000 1.176 653 A CA 1.375 53.405 52.037 -0.011 0.000 0.631 653 A CB -0.654 18.339 19.000 -0.010 0.000 0.814 653 A HN 0.277 nan 8.150 nan 0.000 0.446 654 L N -0.984 120.229 121.223 -0.016 0.000 1.994 654 L HA -0.233 3.995 4.340 -0.186 0.000 0.208 654 L C 2.690 179.549 176.870 -0.019 0.000 1.071 654 L CA 1.993 56.822 54.840 -0.019 0.000 0.745 654 L CB -0.563 41.481 42.059 -0.025 0.000 0.892 654 L HN 0.641 nan 8.230 nan 0.000 0.431 655 E N 0.448 120.637 120.200 -0.018 0.000 2.085 655 E HA -0.268 3.971 4.350 -0.186 0.000 0.194 655 E C 2.149 178.741 176.600 -0.013 0.000 0.994 655 E CA 1.389 57.779 56.400 -0.016 0.000 0.801 655 E CB -0.063 29.628 29.700 -0.014 0.000 0.743 655 E HN 0.438 nan 8.360 nan 0.000 0.453 656 A N 0.684 123.498 122.820 -0.011 0.000 2.019 656 A HA -0.038 4.171 4.320 -0.186 0.000 0.219 656 A C 2.270 179.849 177.584 -0.008 0.000 1.164 656 A CA 1.639 53.671 52.037 -0.008 0.000 0.644 656 A CB -0.550 18.446 19.000 -0.008 0.000 0.805 656 A HN 0.421 nan 8.150 nan 0.000 0.449 657 A N -2.045 120.769 122.820 -0.009 0.000 2.178 657 A HA 0.440 4.648 4.320 -0.186 0.000 0.211 657 A C 1.502 179.080 177.584 -0.011 0.000 1.157 657 A CA 1.139 53.171 52.037 -0.008 0.000 0.780 657 A CB -0.492 18.504 19.000 -0.007 0.000 0.828 657 A HN 1.857 nan 8.150 nan 0.000 0.476 658 G N -1.105 107.687 108.800 -0.013 0.000 2.237 658 G HA2 -0.056 3.793 3.960 -0.186 0.000 0.153 658 G HA3 -0.056 3.793 3.960 -0.186 0.000 0.153 658 G C -0.264 174.623 174.900 -0.021 0.000 1.039 658 G CA -0.187 44.904 45.100 -0.015 0.000 0.719 658 G HN 0.672 nan 8.290 nan 0.000 0.491 659 V N 1.468 121.368 119.914 -0.023 0.000 2.385 659 V HA 0.401 4.409 4.120 -0.186 0.000 0.269 659 V C -1.490 174.586 176.094 -0.029 0.000 1.043 659 V CA -1.519 60.763 62.300 -0.030 0.000 0.906 659 V CB 1.502 33.305 31.823 -0.033 0.000 0.995 659 V HN 0.197 nan 8.190 nan 0.000 0.467 660 P HA 0.082 nan 4.420 nan 0.000 0.252 660 P C -0.240 177.037 177.300 -0.039 0.000 1.694 660 P CA 0.091 63.172 63.100 -0.030 0.000 1.163 660 P CB -0.162 31.520 31.700 -0.029 0.000 1.934 661 V N 5.112 125.004 119.914 -0.036 0.000 2.415 661 V HA 0.084 4.092 4.120 -0.186 0.000 0.267 661 V C 1.261 177.329 176.094 -0.043 0.000 1.042 661 V CA -0.351 61.923 62.300 -0.043 0.000 1.000 661 V CB -0.166 31.637 31.823 -0.034 0.000 1.015 661 V HN 0.359 nan 8.190 nan 0.000 0.478 662 I N 2.762 123.295 120.570 -0.061 0.000 3.078 662 I HA 0.954 5.012 4.170 -0.186 0.000 0.318 662 I C 0.730 176.811 176.117 -0.060 0.000 1.016 662 I CA 0.107 61.371 61.300 -0.060 0.000 1.130 662 I CB 1.129 39.083 38.000 -0.077 0.000 1.397 662 I HN 0.817 nan 8.210 nan 0.000 0.570 663 G N 1.947 110.719 108.800 -0.047 0.000 2.741 663 G HA2 -0.200 3.648 3.960 -0.186 0.000 0.222 663 G HA3 -0.200 3.648 3.960 -0.186 0.000 0.222 663 G C -0.128 174.767 174.900 -0.008 0.000 1.364 663 G CA -0.248 44.834 45.100 -0.031 0.000 0.866 663 G HN 1.005 nan 8.290 nan 0.000 0.555 664 T N 1.311 115.870 114.554 0.008 0.000 2.666 664 T HA 0.344 4.582 4.350 -0.186 0.000 0.265 664 T C 1.405 176.109 174.700 0.008 0.000 1.009 664 T CA 1.149 63.258 62.100 0.016 0.000 1.238 664 T CB -0.215 68.668 68.868 0.024 0.000 0.969 664 T HN 1.972 nan 8.240 nan 0.000 0.515 665 S N 5.347 121.052 115.700 0.008 0.000 2.553 665 S HA 0.003 4.361 4.470 -0.186 0.000 0.293 665 S C -1.208 173.393 174.600 0.002 0.000 1.296 665 S CA -1.001 57.201 58.200 0.003 0.000 1.046 665 S CB 0.586 63.791 63.200 0.008 0.000 0.810 665 S HN 0.353 nan 8.310 nan 0.000 0.505 666 P HA -0.062 nan 4.420 nan 0.000 0.217 666 P C 0.976 178.274 177.300 -0.004 0.000 1.150 666 P CA 1.578 64.674 63.100 -0.007 0.000 0.832 666 P CB -0.114 31.579 31.700 -0.011 0.000 0.787 667 D N -0.515 119.885 120.400 -0.001 0.000 2.178 667 D HA -0.102 4.426 4.640 -0.186 0.000 0.202 667 D C 1.931 178.236 176.300 0.007 0.000 0.974 667 D CA 1.108 55.108 54.000 0.001 0.000 0.841 667 D CB -0.456 40.346 40.800 0.002 0.000 0.953 667 D HN -0.043 nan 8.370 nan 0.000 0.478 668 A N 0.365 123.193 122.820 0.013 0.000 1.858 668 A HA -0.144 4.065 4.320 -0.186 0.000 0.216 668 A C 2.331 179.926 177.584 0.018 0.000 1.190 668 A CA 1.324 53.375 52.037 0.022 0.000 0.617 668 A CB -0.964 18.053 19.000 0.027 0.000 0.827 668 A HN 0.371 nan 8.150 nan 0.000 0.443 669 I N -0.198 120.376 120.570 0.007 0.000 2.145 669 I HA -0.337 3.722 4.170 -0.186 0.000 0.244 669 I C 2.298 178.408 176.117 -0.012 0.000 1.075 669 I CA 2.165 63.462 61.300 -0.005 0.000 1.332 669 I CB -0.410 37.586 38.000 -0.007 0.000 1.033 669 I HN 0.436 nan 8.210 nan 0.000 0.410 670 D N 0.269 120.665 120.400 -0.007 0.000 2.178 670 D HA -0.192 4.336 4.640 -0.186 0.000 0.201 670 D C 2.319 178.621 176.300 0.004 0.000 0.980 670 D CA 1.099 55.094 54.000 -0.008 0.000 0.842 670 D CB 0.029 40.824 40.800 -0.008 0.000 0.948 670 D HN 0.087 nan 8.370 nan 0.000 0.472 671 R N -0.310 120.202 120.500 0.020 0.000 2.083 671 R HA -0.133 4.095 4.340 -0.186 0.000 0.237 671 R C 2.240 178.595 176.300 0.092 0.000 1.137 671 R CA 1.370 57.500 56.100 0.050 0.000 0.951 671 R CB -0.311 30.026 30.300 0.062 0.000 0.851 671 R HN 0.212 nan 8.270 nan 0.000 0.434 672 A N 1.176 124.028 122.820 0.053 0.000 1.883 672 A HA -0.190 4.018 4.320 -0.186 0.000 0.217 672 A C 1.908 179.398 177.584 -0.158 0.000 1.186 672 A CA 1.587 53.600 52.037 -0.040 0.000 0.624 672 A CB -0.388 18.539 19.000 -0.122 0.000 0.822 672 A HN 0.332 nan 8.150 nan 0.000 0.444 673 E N 0.289 120.434 120.200 -0.092 0.000 2.072 673 E HA -0.136 4.103 4.350 -0.186 0.000 0.191 673 E C 0.116 176.699 176.600 -0.027 0.000 0.985 673 E CA 0.678 57.027 56.400 -0.085 0.000 0.801 673 E CB -0.540 29.122 29.700 -0.063 0.000 0.750 673 E HN 0.651 nan 8.360 nan 0.000 0.452 674 D N 1.413 121.820 120.400 0.011 0.000 2.363 674 D HA -0.049 4.479 4.640 -0.186 0.000 0.263 674 D C 1.374 177.725 176.300 0.084 0.000 1.258 674 D CA -0.051 53.968 54.000 0.031 0.000 0.907 674 D CB 0.571 41.378 40.800 0.013 0.000 1.107 674 D HN -0.044 nan 8.370 nan 0.000 0.495 675 R N 3.405 123.954 120.500 0.081 0.000 2.226 675 R HA -0.222 4.007 4.340 -0.186 0.000 0.246 675 R C 0.949 177.343 176.300 0.156 0.000 1.161 675 R CA 1.281 57.458 56.100 0.129 0.000 0.997 675 R CB -0.399 29.957 30.300 0.092 0.000 0.870 675 R HN 0.591 nan 8.270 nan 0.000 0.465 676 E N 0.255 120.520 120.200 0.107 0.000 2.162 676 E HA 0.086 4.324 4.350 -0.186 0.000 0.193 676 E C 2.194 178.818 176.600 0.040 0.000 0.953 676 E CA -0.194 56.268 56.400 0.103 0.000 0.849 676 E CB 0.208 29.931 29.700 0.038 0.000 0.810 676 E HN 0.246 nan 8.360 nan 0.000 0.470 677 R N 0.282 120.764 120.500 -0.031 0.000 2.096 677 R HA -0.141 4.087 4.340 -0.186 0.000 0.235 677 R C 2.260 178.623 176.300 0.104 0.000 1.127 677 R CA 1.012 57.066 56.100 -0.077 0.000 0.968 677 R CB -0.428 29.858 30.300 -0.022 0.000 0.861 677 R HN 0.173 nan 8.270 nan 0.000 0.440 678 F N 2.241 122.203 119.950 0.021 0.000 2.084 678 F HA -0.229 4.188 4.527 -0.184 0.000 0.296 678 F C 2.676 178.531 175.800 0.092 0.000 1.111 678 F CA 1.814 59.842 58.000 0.045 0.000 1.224 678 F CB -0.727 38.290 39.000 0.027 0.000 0.991 678 F HN -0.026 nan 8.300 nan 0.000 0.471 679 Q N -0.503 119.311 119.800 0.024 0.000 2.062 679 Q HA -0.319 3.909 4.340 -0.186 0.000 0.209 679 Q C 2.136 178.107 176.000 -0.049 0.000 0.996 679 Q CA 2.553 58.319 55.803 -0.063 0.000 0.859 679 Q CB -0.439 28.366 28.738 0.110 0.000 0.920 679 Q HN 0.573 nan 8.270 nan 0.000 0.415 680 H N -0.232 118.783 119.070 -0.091 0.000 2.265 680 H HA -0.131 4.313 4.556 -0.187 0.000 0.295 680 H C 1.960 177.235 175.328 -0.088 0.000 1.084 680 H CA 1.826 57.835 56.048 -0.064 0.000 1.261 680 H CB -0.872 28.878 29.762 -0.020 0.000 1.360 680 H HN 0.498 nan 8.280 nan 0.000 0.487 681 A N 0.295 123.157 122.820 0.069 0.000 1.927 681 A HA -0.223 3.985 4.320 -0.186 0.000 0.220 681 A C 2.752 180.282 177.584 -0.090 0.000 1.185 681 A CA 2.197 54.236 52.037 0.003 0.000 0.639 681 A CB -1.140 17.878 19.000 0.030 0.000 0.820 681 A HN 0.278 nan 8.150 nan 0.000 0.451 682 V N -0.347 119.428 119.914 -0.233 0.000 2.270 682 V HA -0.257 3.751 4.120 -0.186 0.000 0.245 682 V C 2.392 178.403 176.094 -0.139 0.000 1.043 682 V CA 2.360 64.508 62.300 -0.253 0.000 1.014 682 V CB -0.724 30.854 31.823 -0.409 0.000 0.645 682 V HN 0.684 nan 8.190 nan 0.000 0.447 683 E N -0.666 119.455 120.200 -0.131 0.000 2.219 683 E HA -0.279 3.960 4.350 -0.186 0.000 0.198 683 E C 2.371 178.927 176.600 -0.074 0.000 0.998 683 E CA 1.310 57.643 56.400 -0.112 0.000 0.818 683 E CB -0.104 29.497 29.700 -0.165 0.000 0.741 683 E HN 0.419 nan 8.360 nan 0.000 0.477 684 R N 0.298 120.768 120.500 -0.049 0.000 2.057 684 R HA 0.023 4.251 4.340 -0.186 0.000 0.224 684 R C 2.073 178.364 176.300 -0.015 0.000 1.136 684 R CA 0.634 56.723 56.100 -0.020 0.000 0.968 684 R CB 0.056 30.361 30.300 0.009 0.000 0.863 684 R HN 0.132 nan 8.270 nan 0.000 0.433 685 L N 1.036 122.249 121.223 -0.016 0.000 2.551 685 L HA 0.043 4.272 4.340 -0.186 0.000 0.228 685 L C 0.126 176.989 176.870 -0.012 0.000 1.153 685 L CA 0.607 55.446 54.840 -0.000 0.000 0.851 685 L CB -0.315 41.755 42.059 0.018 0.000 0.959 685 L HN 0.216 nan 8.230 nan 0.000 0.451 686 K N 0.857 121.238 120.400 -0.032 0.000 3.244 686 K HA -0.152 4.056 4.320 -0.186 0.000 0.270 686 K C -0.570 176.006 176.600 -0.039 0.000 1.016 686 K CA 0.338 56.602 56.287 -0.038 0.000 0.754 686 K CB -1.645 30.837 32.500 -0.030 0.000 1.326 686 K HN 0.290 nan 8.250 nan 0.000 0.465 687 L N -0.036 121.160 121.223 -0.046 0.000 2.352 687 L HA 0.402 4.630 4.340 -0.186 0.000 0.269 687 L C 0.654 177.491 176.870 -0.054 0.000 1.034 687 L CA -1.008 53.811 54.840 -0.035 0.000 0.806 687 L CB 1.165 43.226 42.059 0.003 0.000 1.244 687 L HN 0.025 nan 8.230 nan 0.000 0.447 688 K N 2.251 122.615 120.400 -0.060 0.000 2.267 688 K HA 0.237 4.446 4.320 -0.186 0.000 0.282 688 K C -0.820 175.784 176.600 0.007 0.000 1.078 688 K CA -0.164 56.068 56.287 -0.091 0.000 0.903 688 K CB 1.004 33.344 32.500 -0.265 0.000 1.111 688 K HN 0.503 nan 8.250 nan 0.000 0.475 689 Q N 4.055 123.885 119.800 0.050 0.000 2.306 689 Q HA 0.412 4.640 4.340 -0.186 0.000 0.265 689 Q C -2.347 173.771 176.000 0.197 0.000 1.022 689 Q CA -2.236 53.636 55.803 0.115 0.000 0.853 689 Q CB 1.643 30.396 28.738 0.024 0.000 1.327 689 Q HN 0.349 nan 8.270 nan 0.000 0.449 690 P HA 0.060 nan 4.420 nan 0.000 0.269 690 P C -1.380 176.005 177.300 0.142 0.000 1.209 690 P CA -0.118 63.102 63.100 0.201 0.000 0.776 690 P CB 0.481 32.245 31.700 0.107 0.000 0.876 691 A N 3.056 125.959 122.820 0.138 0.000 2.505 691 A HA 0.150 4.359 4.320 -0.186 0.000 0.271 691 A C 0.676 178.303 177.584 0.073 0.000 1.112 691 A CA -0.114 51.968 52.037 0.075 0.000 0.781 691 A CB -1.398 17.612 19.000 0.016 0.000 1.059 691 A HN 0.730 nan 8.150 nan 0.000 0.508 692 N N 1.064 119.797 118.700 0.055 0.000 2.671 692 N HA 0.814 5.443 4.740 -0.186 0.000 0.303 692 N C -0.598 174.934 175.510 0.036 0.000 1.277 692 N CA -0.436 52.646 53.050 0.053 0.000 0.933 692 N CB 1.526 40.052 38.487 0.065 0.000 1.190 692 N HN 0.786 nan 8.380 nan 0.000 0.600 693 A N 0.059 122.904 122.820 0.041 0.000 2.364 693 A HA 0.266 4.474 4.320 -0.186 0.000 0.303 693 A C -1.015 176.598 177.584 0.050 0.000 1.078 693 A CA -0.801 51.258 52.037 0.037 0.000 0.970 693 A CB -0.178 18.835 19.000 0.023 0.000 1.497 693 A HN 0.549 nan 8.150 nan 0.000 0.376 694 T N 2.186 116.772 114.554 0.052 0.000 2.799 694 T HA 0.446 4.685 4.350 -0.186 0.000 0.296 694 T C 0.308 175.046 174.700 0.062 0.000 0.947 694 T CA 0.300 62.436 62.100 0.060 0.000 1.141 694 T CB 0.448 69.350 68.868 0.058 0.000 0.891 694 T HN 0.617 nan 8.240 nan 0.000 0.533 695 V N 3.485 123.450 119.914 0.084 0.000 2.960 695 V HA 0.476 4.485 4.120 -0.186 0.000 0.315 695 V C 0.744 176.898 176.094 0.101 0.000 1.087 695 V CA -0.600 61.753 62.300 0.089 0.000 0.982 695 V CB 2.365 34.257 31.823 0.115 0.000 1.039 695 V HN 0.960 nan 8.190 nan 0.000 0.437 696 T N 0.801 115.393 114.554 0.063 0.000 3.238 696 T HA 0.359 4.598 4.350 -0.186 0.000 0.242 696 T C 0.583 175.289 174.700 0.010 0.000 0.980 696 T CA 0.704 62.834 62.100 0.049 0.000 1.235 696 T CB 0.325 69.208 68.868 0.025 0.000 1.069 696 T HN 0.800 nan 8.240 nan 0.000 0.407 697 A N 0.723 123.519 122.820 -0.040 0.000 2.322 697 A HA 0.566 4.774 4.320 -0.186 0.000 0.269 697 A C 1.086 178.532 177.584 -0.231 0.000 1.094 697 A CA -0.411 51.566 52.037 -0.101 0.000 0.807 697 A CB -0.024 18.931 19.000 -0.076 0.000 1.047 697 A HN 0.265 nan 8.150 nan 0.000 0.487 698 I N 1.021 121.378 120.570 -0.354 0.000 2.069 698 I HA -0.230 3.828 4.170 -0.186 0.000 0.237 698 I C 2.307 178.171 176.117 -0.423 0.000 1.053 698 I CA 1.848 62.755 61.300 -0.656 0.000 1.311 698 I CB -0.636 37.084 38.000 -0.467 0.000 1.030 698 I HN 0.733 nan 8.210 nan 0.000 0.398 699 E N -0.324 119.742 120.200 -0.223 0.000 2.171 699 E HA -0.284 3.954 4.350 -0.186 0.000 0.197 699 E C 2.134 178.684 176.600 -0.084 0.000 0.997 699 E CA 1.235 57.565 56.400 -0.118 0.000 0.810 699 E CB -0.524 29.131 29.700 -0.075 0.000 0.738 699 E HN 0.366 nan 8.360 nan 0.000 0.467 700 M N 1.076 120.620 119.600 -0.093 0.000 2.065 700 M HA -0.130 4.238 4.480 -0.186 0.000 0.259 700 M C 2.218 178.499 176.300 -0.032 0.000 1.069 700 M CA 1.721 56.991 55.300 -0.051 0.000 1.110 700 M CB -1.144 31.429 32.600 -0.045 0.000 1.328 700 M HN 0.089 nan 8.290 nan 0.000 0.405 701 A N -0.645 122.148 122.820 -0.046 0.000 1.849 701 A HA -0.172 4.037 4.320 -0.186 0.000 0.217 701 A C 2.125 179.727 177.584 0.029 0.000 1.202 701 A CA 2.713 54.769 52.037 0.031 0.000 0.629 701 A CB -1.481 17.564 19.000 0.074 0.000 0.834 701 A HN 0.395 nan 8.150 nan 0.000 0.447 702 V N 0.241 120.164 119.914 0.016 0.000 2.592 702 V HA -0.311 3.697 4.120 -0.186 0.000 0.262 702 V C 2.360 178.476 176.094 0.037 0.000 1.108 702 V CA 2.728 65.060 62.300 0.054 0.000 1.121 702 V CB -1.068 30.772 31.823 0.028 0.000 0.689 702 V HN 0.791 nan 8.190 nan 0.000 0.479 703 E N 0.617 120.820 120.200 0.006 0.000 2.094 703 E HA -0.022 4.217 4.350 -0.186 0.000 0.193 703 E C 2.020 178.609 176.600 -0.019 0.000 0.950 703 E CA 0.637 57.036 56.400 -0.002 0.000 0.842 703 E CB -0.312 29.384 29.700 -0.006 0.000 0.816 703 E HN 0.257 nan 8.360 nan 0.000 0.465 704 K N 0.636 121.026 120.400 -0.017 0.000 2.160 704 K HA -0.047 4.161 4.320 -0.186 0.000 0.206 704 K C 1.816 178.384 176.600 -0.053 0.000 1.047 704 K CA 1.363 57.638 56.287 -0.021 0.000 0.930 704 K CB -0.676 31.824 32.500 0.001 0.000 0.720 704 K HN 0.263 nan 8.250 nan 0.000 0.450 705 A N 0.358 123.132 122.820 -0.076 0.000 1.858 705 A HA -0.205 4.004 4.320 -0.186 0.000 0.216 705 A C 2.022 179.444 177.584 -0.269 0.000 1.190 705 A CA 1.961 53.877 52.037 -0.203 0.000 0.617 705 A CB -0.485 18.400 19.000 -0.192 0.000 0.827 705 A HN 0.255 nan 8.150 nan 0.000 0.443 706 K N -0.376 119.942 120.400 -0.136 0.000 2.360 706 K HA -0.115 4.094 4.320 -0.186 0.000 0.201 706 K C 1.917 178.480 176.600 -0.061 0.000 1.046 706 K CA 1.395 57.645 56.287 -0.061 0.000 0.940 706 K CB -0.046 32.457 32.500 0.005 0.000 0.748 706 K HN 0.696 nan 8.250 nan 0.000 0.465 707 E N -0.334 119.822 120.200 -0.074 0.000 2.024 707 E HA -0.076 4.162 4.350 -0.186 0.000 0.190 707 E C 1.816 178.361 176.600 -0.093 0.000 0.974 707 E CA 0.707 57.069 56.400 -0.063 0.000 0.810 707 E CB 0.027 29.698 29.700 -0.048 0.000 0.775 707 E HN 0.096 nan 8.360 nan 0.000 0.453 708 I N 0.520 121.026 120.570 -0.107 0.000 2.087 708 I HA -0.205 3.854 4.170 -0.186 0.000 0.240 708 I C 1.042 177.032 176.117 -0.212 0.000 1.054 708 I CA 1.782 63.010 61.300 -0.121 0.000 1.311 708 I CB -0.290 37.669 38.000 -0.069 0.000 1.024 708 I HN 0.328 nan 8.210 nan 0.000 0.402 709 G N -1.504 107.180 108.800 -0.193 0.000 3.069 709 G HA2 -0.142 3.706 3.960 -0.186 0.000 0.686 709 G HA3 -0.142 3.706 3.960 -0.186 0.000 0.686 709 G C -0.793 174.153 174.900 0.077 0.000 1.161 709 G CA -1.022 43.996 45.100 -0.136 0.000 0.804 709 G HN 0.051 nan 8.290 nan 0.000 0.608 710 Y N 2.295 122.688 120.300 0.154 0.000 2.314 710 Y HA 0.502 4.938 4.550 -0.189 0.000 0.334 710 Y C -0.801 175.217 175.900 0.198 0.000 1.266 710 Y CA -1.064 57.127 58.100 0.152 0.000 1.391 710 Y CB 0.456 38.976 38.460 0.100 0.000 1.306 710 Y HN 0.515 nan 8.280 nan 0.000 0.558 711 P HA 0.209 nan 4.420 nan 0.000 0.275 711 P C -1.310 176.042 177.300 0.087 0.000 1.266 711 P CA -0.237 62.950 63.100 0.145 0.000 0.793 711 P CB 0.856 32.375 31.700 -0.301 0.000 1.074 712 L N 0.021 121.255 121.223 0.018 0.000 2.401 712 L HA 0.362 4.591 4.340 -0.186 0.000 0.266 712 L C -0.618 176.174 176.870 -0.131 0.000 0.991 712 L CA -0.810 54.009 54.840 -0.036 0.000 0.818 712 L CB 2.202 44.234 42.059 -0.045 0.000 1.321 712 L HN 0.022 nan 8.230 nan 0.000 0.413 713 V N 4.116 123.970 119.914 -0.100 0.000 2.432 713 V HA 0.375 4.383 4.120 -0.186 0.000 0.275 713 V C -0.423 175.569 176.094 -0.169 0.000 1.043 713 V CA -0.513 61.694 62.300 -0.156 0.000 0.925 713 V CB 1.699 33.475 31.823 -0.077 0.000 0.985 713 V HN 0.448 nan 8.190 nan 0.000 0.466 714 V N 6.772 126.503 119.914 -0.305 0.000 2.257 714 V HA 0.445 4.453 4.120 -0.186 0.000 0.269 714 V C 0.280 176.201 176.094 -0.287 0.000 1.040 714 V CA -0.737 61.352 62.300 -0.351 0.000 0.813 714 V CB 0.489 31.895 31.823 -0.694 0.000 1.065 714 V HN 0.758 nan 8.190 nan 0.000 0.457 715 R N 4.517 124.951 120.500 -0.110 0.000 2.349 715 R HA 0.625 4.853 4.340 -0.186 0.000 0.299 715 R C -2.165 174.148 176.300 0.022 0.000 1.027 715 R CA -0.783 55.292 56.100 -0.041 0.000 0.958 715 R CB 1.762 32.054 30.300 -0.013 0.000 1.047 715 R HN 0.565 nan 8.270 nan 0.000 0.468 725 M N 0.720 120.311 119.600 -0.015 0.000 2.249 725 M HA 0.829 5.198 4.480 -0.186 0.000 0.351 725 M C -0.267 175.944 176.300 -0.149 0.000 1.180 725 M CA 0.074 55.324 55.300 -0.083 0.000 1.127 725 M CB 1.297 33.853 32.600 -0.073 0.000 1.546 725 M HN 0.619 nan 8.290 nan 0.000 0.461 726 E N 2.986 122.989 120.200 -0.328 0.000 2.314 726 E HA 0.516 4.754 4.350 -0.186 0.000 0.272 726 E C -1.802 174.555 176.600 -0.404 0.000 0.884 726 E CA -0.729 55.460 56.400 -0.352 0.000 0.753 726 E CB 2.180 31.664 29.700 -0.360 0.000 1.213 726 E HN 0.890 nan 8.360 nan 0.000 0.432 727 I N 3.958 124.329 120.570 -0.333 0.000 2.337 727 I HA 0.193 4.251 4.170 -0.186 0.000 0.291 727 I C -0.524 175.401 176.117 -0.320 0.000 1.046 727 I CA -0.609 60.425 61.300 -0.443 0.000 1.324 727 I CB 1.122 38.715 38.000 -0.679 0.000 1.409 727 I HN 0.279 nan 8.210 nan 0.000 0.494 728 V N 7.662 127.405 119.914 -0.286 0.000 2.394 728 V HA 0.148 4.156 4.120 -0.186 0.000 0.282 728 V C 0.041 176.104 176.094 -0.051 0.000 1.031 728 V CA -0.100 62.163 62.300 -0.062 0.000 0.881 728 V CB 1.460 33.302 31.823 0.032 0.000 0.982 728 V HN 0.580 nan 8.190 nan 0.000 0.451 729 Y N 2.132 122.448 120.300 0.026 0.000 2.389 729 Y HA 0.136 4.572 4.550 -0.190 0.000 0.292 729 Y C 0.968 176.687 175.900 -0.303 0.000 1.117 729 Y CA 0.179 58.270 58.100 -0.015 0.000 1.195 729 Y CB 0.303 38.744 38.460 -0.031 0.000 1.076 729 Y HN 0.842 nan 8.280 nan 0.000 0.548 730 D N -2.425 117.759 120.400 -0.359 0.000 2.652 730 D HA 0.101 4.629 4.640 -0.186 0.000 0.285 730 D C 0.705 176.641 176.300 -0.607 0.000 1.173 730 D CA -0.675 52.778 54.000 -0.910 0.000 0.981 730 D CB 0.336 40.874 40.800 -0.436 0.000 1.440 730 D HN -0.067 nan 8.370 nan 0.000 0.485 731 E N -0.271 119.682 120.200 -0.413 0.000 2.049 731 E HA -0.292 3.946 4.350 -0.186 0.000 0.198 731 E C 1.942 178.594 176.600 0.088 0.000 1.007 731 E CA 1.687 58.129 56.400 0.071 0.000 0.809 731 E CB -0.328 29.436 29.700 0.107 0.000 0.749 731 E HN 0.519 nan 8.360 nan 0.000 0.450 732 A N 1.323 124.153 122.820 0.017 0.000 1.873 732 A HA -0.269 3.939 4.320 -0.186 0.000 0.218 732 A C 1.962 179.592 177.584 0.077 0.000 1.193 732 A CA 2.129 54.190 52.037 0.041 0.000 0.629 732 A CB -0.910 18.094 19.000 0.007 0.000 0.826 732 A HN 0.322 nan 8.150 nan 0.000 0.447 733 D N -0.689 119.745 120.400 0.055 0.000 2.126 733 D HA -0.180 4.348 4.640 -0.186 0.000 0.190 733 D C 1.782 178.188 176.300 0.178 0.000 1.001 733 D CA 1.457 55.515 54.000 0.097 0.000 0.841 733 D CB -0.381 40.467 40.800 0.081 0.000 0.949 733 D HN 0.259 nan 8.370 nan 0.000 0.446 734 L N 1.202 122.569 121.223 0.239 0.000 1.965 734 L HA -0.273 3.955 4.340 -0.186 0.000 0.226 734 L C 2.382 179.527 176.870 0.458 0.000 1.083 734 L CA 2.057 57.120 54.840 0.372 0.000 0.790 734 L CB -0.558 41.763 42.059 0.436 0.000 0.898 734 L HN 0.050 nan 8.230 nan 0.000 0.439 735 R N -0.970 119.736 120.500 0.343 0.000 2.115 735 R HA -0.251 3.978 4.340 -0.186 0.000 0.239 735 R C 2.374 178.831 176.300 0.262 0.000 1.133 735 R CA 1.794 58.070 56.100 0.293 0.000 0.935 735 R CB -0.968 29.424 30.300 0.152 0.000 0.853 735 R HN 0.422 nan 8.270 nan 0.000 0.433 736 R N 0.623 121.234 120.500 0.184 0.000 2.133 736 R HA -0.262 3.967 4.340 -0.186 0.000 0.245 736 R C 2.310 178.693 176.300 0.139 0.000 1.137 736 R CA 2.272 58.450 56.100 0.131 0.000 0.947 736 R CB -0.637 29.724 30.300 0.103 0.000 0.865 736 R HN 0.361 nan 8.270 nan 0.000 0.437 737 Y N 0.393 120.718 120.300 0.043 0.000 2.097 737 Y HA -0.254 4.174 4.550 -0.204 0.000 0.282 737 Y C 2.019 177.881 175.900 -0.064 0.000 1.152 737 Y CA 1.990 60.057 58.100 -0.055 0.000 1.136 737 Y CB -0.918 37.448 38.460 -0.156 0.000 0.975 737 Y HN 0.016 nan 8.280 nan 0.000 0.498 738 F N 1.316 121.266 119.950 -0.000 0.000 2.141 738 F HA -0.379 4.043 4.527 -0.174 0.000 0.300 738 F C 2.782 178.494 175.800 -0.147 0.000 1.079 738 F CA 2.317 60.258 58.000 -0.098 0.000 1.264 738 F CB -0.988 38.032 39.000 0.034 0.000 1.011 738 F HN 0.347 nan 8.300 nan 0.000 0.487 739 Q N 0.267 120.113 119.800 0.077 0.000 1.967 739 Q HA -0.215 4.013 4.340 -0.186 0.000 0.202 739 Q C 2.185 178.148 176.000 -0.061 0.000 0.985 739 Q CA 2.757 58.572 55.803 0.020 0.000 0.839 739 Q CB -0.549 28.206 28.738 0.028 0.000 0.906 739 Q HN 0.448 nan 8.270 nan 0.000 0.423 740 T N -0.805 113.684 114.554 -0.109 0.000 2.897 740 T HA 0.062 4.301 4.350 -0.186 0.000 0.271 740 T C 0.986 175.554 174.700 -0.221 0.000 1.084 740 T CA 0.515 62.533 62.100 -0.136 0.000 1.123 740 T CB -0.571 68.226 68.868 -0.117 0.000 0.865 740 T HN 0.492 nan 8.240 nan 0.000 0.496 751 L N 5.588 126.855 121.223 0.073 0.000 2.439 751 L HA 0.437 4.666 4.340 -0.186 0.000 0.269 751 L C -0.468 176.429 176.870 0.044 0.000 1.179 751 L CA 0.359 55.234 54.840 0.058 0.000 0.828 751 L CB 0.620 42.707 42.059 0.046 0.000 1.106 751 L HN 0.395 nan 8.230 nan 0.000 0.467 752 L N 2.848 124.099 121.223 0.046 0.000 2.409 752 L HA 0.506 4.734 4.340 -0.186 0.000 0.272 752 L C -0.968 175.919 176.870 0.029 0.000 0.980 752 L CA -0.395 54.462 54.840 0.029 0.000 0.826 752 L CB 1.578 43.665 42.059 0.046 0.000 1.268 752 L HN 0.536 nan 8.230 nan 0.000 0.407 753 D N -0.325 120.088 120.400 0.021 0.000 2.601 753 D HA 0.356 4.884 4.640 -0.186 0.000 0.230 753 D C -0.908 175.432 176.300 0.066 0.000 1.106 753 D CA -0.404 53.625 54.000 0.049 0.000 0.873 753 D CB 1.488 42.318 40.800 0.050 0.000 1.515 753 D HN 0.475 nan 8.370 nan 0.000 0.468 754 H N 0.747 119.809 119.070 -0.013 0.000 2.683 754 H HA 0.279 4.724 4.556 -0.184 0.000 0.339 754 H C -1.074 174.258 175.328 0.005 0.000 1.081 754 H CA -0.334 55.699 56.048 -0.025 0.000 1.432 754 H CB 0.326 30.061 29.762 -0.046 0.000 1.462 754 H HN 0.223 nan 8.280 nan 0.000 0.557 755 F N 6.640 126.215 119.950 -0.626 0.000 2.434 755 F HA 0.209 4.629 4.527 -0.179 0.000 0.358 755 F C -0.646 174.766 175.800 -0.647 0.000 1.136 755 F CA -0.833 56.853 58.000 -0.524 0.000 1.157 755 F CB 0.014 38.792 39.000 -0.370 0.000 1.167 755 F HN 0.543 nan 8.300 nan 0.000 0.539 756 L N 6.205 126.763 121.223 -1.108 0.000 2.536 756 L HA 0.064 4.292 4.340 -0.186 0.000 0.282 756 L C 0.314 176.414 176.870 -1.283 0.000 1.174 756 L CA -0.063 54.173 54.840 -1.007 0.000 0.989 756 L CB -0.685 40.915 42.059 -0.766 0.000 1.311 756 L HN 0.515 nan 8.230 nan 0.000 0.455 757 D N 2.312 122.173 120.400 -0.897 0.000 2.362 757 D HA 0.026 4.554 4.640 -0.186 0.000 0.242 757 D C 0.363 176.507 176.300 -0.260 0.000 1.132 757 D CA -0.091 53.615 54.000 -0.490 0.000 0.907 757 D CB 0.804 41.572 40.800 -0.053 0.000 1.195 757 D HN 0.520 nan 8.370 nan 0.000 0.429 758 D N -0.192 120.149 120.400 -0.098 0.000 2.701 758 D HA -0.161 4.367 4.640 -0.186 0.000 0.235 758 D C -0.870 175.379 176.300 -0.086 0.000 1.155 758 D CA 0.947 54.920 54.000 -0.045 0.000 0.649 758 D CB -1.034 39.767 40.800 0.002 0.000 1.050 758 D HN 0.367 nan 8.370 nan 0.000 0.425 759 A N -0.260 122.478 122.820 -0.136 0.000 2.340 759 A HA 0.715 4.924 4.320 -0.186 0.000 0.331 759 A C 0.052 177.597 177.584 -0.065 0.000 1.140 759 A CA -0.673 51.286 52.037 -0.131 0.000 0.801 759 A CB 1.555 20.413 19.000 -0.237 0.000 1.234 759 A HN 0.131 nan 8.150 nan 0.000 0.469 760 V N 1.799 121.683 119.914 -0.050 0.000 2.509 760 V HA 0.269 4.277 4.120 -0.186 0.000 0.284 760 V C 0.445 176.504 176.094 -0.059 0.000 1.047 760 V CA -0.305 61.975 62.300 -0.032 0.000 0.952 760 V CB 1.249 33.044 31.823 -0.047 0.000 0.988 760 V HN 0.965 nan 8.190 nan 0.000 0.469 761 E N 2.968 123.106 120.200 -0.104 0.000 2.231 761 E HA 0.645 4.884 4.350 -0.186 0.000 0.277 761 E C -1.540 174.731 176.600 -0.549 0.000 0.999 761 E CA -0.424 55.810 56.400 -0.276 0.000 0.827 761 E CB 1.951 31.521 29.700 -0.217 0.000 1.101 761 E HN 0.479 nan 8.360 nan 0.000 0.393 762 V N 3.484 123.186 119.914 -0.353 0.000 2.876 762 V HA 0.319 4.327 4.120 -0.186 0.000 0.312 762 V C -0.704 175.379 176.094 -0.018 0.000 1.085 762 V CA -0.911 61.287 62.300 -0.170 0.000 0.945 762 V CB 2.211 34.080 31.823 0.078 0.000 1.017 762 V HN 0.711 nan 8.190 nan 0.000 0.428 763 D N 1.732 122.209 120.400 0.129 0.000 2.362 763 D HA 0.639 5.167 4.640 -0.186 0.000 0.247 763 D C -1.273 175.141 176.300 0.191 0.000 1.050 763 D CA -0.061 54.055 54.000 0.193 0.000 0.839 763 D CB 2.524 43.486 40.800 0.269 0.000 1.283 763 D HN 0.280 nan 8.370 nan 0.000 0.477 764 V N 3.052 123.064 119.914 0.162 0.000 2.482 764 V HA 0.245 4.253 4.120 -0.186 0.000 0.295 764 V C -0.474 175.679 176.094 0.100 0.000 1.026 764 V CA -0.912 61.485 62.300 0.162 0.000 0.856 764 V CB 2.112 34.089 31.823 0.256 0.000 1.001 764 V HN 0.386 nan 8.190 nan 0.000 0.424 765 D N 3.598 124.049 120.400 0.085 0.000 2.168 765 D HA 0.820 5.348 4.640 -0.186 0.000 0.246 765 D C -0.117 176.209 176.300 0.042 0.000 1.050 765 D CA 0.142 54.173 54.000 0.053 0.000 0.857 765 D CB 2.428 43.256 40.800 0.046 0.000 1.169 765 D HN 0.803 nan 8.370 nan 0.000 0.453 766 A N 2.228 125.065 122.820 0.027 0.000 2.587 766 A HA 0.698 4.907 4.320 -0.186 0.000 0.293 766 A C -1.049 176.537 177.584 0.003 0.000 1.087 766 A CA -0.636 51.409 52.037 0.012 0.000 0.692 766 A CB 1.170 20.174 19.000 0.006 0.000 1.291 766 A HN 0.501 nan 8.150 nan 0.000 0.407 767 I N 0.258 120.824 120.570 -0.007 0.000 2.493 767 I HA 0.521 4.580 4.170 -0.186 0.000 0.298 767 I C -0.600 175.490 176.117 -0.045 0.000 0.998 767 I CA -0.555 60.744 61.300 -0.002 0.000 1.137 767 I CB 1.904 39.918 38.000 0.022 0.000 1.310 767 I HN 0.631 nan 8.210 nan 0.000 0.445 768 C N 5.618 124.891 119.300 -0.045 0.000 2.381 768 C HA 0.342 4.691 4.460 -0.186 0.000 0.328 768 C C 0.707 175.684 174.990 -0.021 0.000 1.190 768 C CA -0.577 58.385 59.018 -0.094 0.000 1.369 768 C CB 0.314 27.946 27.740 -0.180 0.000 2.029 768 C HN 0.924 nan 8.230 nan 0.000 0.448 769 D N 2.452 122.856 120.400 0.006 0.000 2.349 769 D HA 0.224 4.752 4.640 -0.186 0.000 0.214 769 D C 1.429 177.780 176.300 0.086 0.000 1.063 769 D CA 0.991 55.019 54.000 0.047 0.000 0.847 769 D CB 0.266 41.095 40.800 0.049 0.000 0.933 769 D HN 1.243 nan 8.370 nan 0.000 0.513 770 G N 0.695 109.572 108.800 0.129 0.000 2.317 770 G HA2 -0.338 3.510 3.960 -0.186 0.000 0.227 770 G HA3 -0.338 3.510 3.960 -0.186 0.000 0.227 770 G C 1.124 176.244 174.900 0.366 0.000 1.042 770 G CA 0.327 45.564 45.100 0.228 0.000 0.623 770 G HN 0.418 nan 8.290 nan 0.000 0.509 771 E N -0.053 120.313 120.200 0.278 0.000 2.045 771 E HA 0.316 4.554 4.350 -0.186 0.000 0.190 771 E C 1.772 178.609 176.600 0.395 0.000 0.968 771 E CA 1.116 57.657 56.400 0.234 0.000 0.813 771 E CB 0.022 29.799 29.700 0.130 0.000 0.780 771 E HN 0.710 nan 8.360 nan 0.000 0.455 772 M N -0.778 119.009 119.600 0.312 0.000 2.777 772 M HA 0.578 4.946 4.480 -0.186 0.000 0.288 772 M C -1.387 174.930 176.300 0.028 0.000 1.181 772 M CA -0.767 54.701 55.300 0.280 0.000 0.758 772 M CB 2.222 34.914 32.600 0.154 0.000 1.757 772 M HN -0.219 nan 8.290 nan 0.000 0.453 773 V N 2.067 121.963 119.914 -0.030 0.000 2.612 773 V HA 0.440 4.448 4.120 -0.186 0.000 0.301 773 V C -1.216 174.854 176.094 -0.041 0.000 1.059 773 V CA -0.697 61.526 62.300 -0.128 0.000 0.886 773 V CB 1.792 33.451 31.823 -0.273 0.000 1.007 773 V HN 0.784 nan 8.190 nan 0.000 0.426 774 L N 6.208 127.412 121.223 -0.031 0.000 2.307 774 L HA 0.631 4.859 4.340 -0.186 0.000 0.282 774 L C -0.519 176.347 176.870 -0.008 0.000 1.051 774 L CA 0.135 54.970 54.840 -0.009 0.000 0.804 774 L CB 1.012 43.071 42.059 -0.001 0.000 1.197 774 L HN 0.476 nan 8.230 nan 0.000 0.431 775 I N 5.721 126.291 120.570 -0.001 0.000 2.297 775 I HA 0.231 4.290 4.170 -0.186 0.000 0.291 775 I C 1.334 177.455 176.117 0.007 0.000 1.033 775 I CA -0.054 61.252 61.300 0.009 0.000 1.253 775 I CB 0.772 38.781 38.000 0.015 0.000 1.396 775 I HN 0.882 nan 8.210 nan 0.000 0.476 776 G N 5.247 114.055 108.800 0.014 0.000 2.402 776 G HA2 0.193 4.041 3.960 -0.186 0.000 0.216 776 G HA3 0.193 4.041 3.960 -0.186 0.000 0.216 776 G C 0.672 175.575 174.900 0.006 0.000 1.162 776 G CA 0.731 45.837 45.100 0.008 0.000 0.777 776 G HN 0.805 nan 8.290 nan 0.000 0.539 777 G N -1.291 107.527 108.800 0.030 0.000 2.442 777 G HA2 0.428 4.277 3.960 -0.186 0.000 0.296 777 G HA3 0.428 4.277 3.960 -0.186 0.000 0.296 777 G C -1.702 173.250 174.900 0.086 0.000 1.564 777 G CA -0.869 44.257 45.100 0.043 0.000 0.828 777 G HN 0.149 nan 8.290 nan 0.000 0.571 778 I N 1.506 122.133 120.570 0.095 0.000 2.382 778 I HA 0.396 4.454 4.170 -0.186 0.000 0.286 778 I C -0.191 176.026 176.117 0.167 0.000 1.002 778 I CA -0.507 60.867 61.300 0.122 0.000 1.135 778 I CB 1.769 39.818 38.000 0.082 0.000 1.288 778 I HN 0.284 nan 8.210 nan 0.000 0.448 779 M N 6.168 125.894 119.600 0.211 0.000 2.227 779 M HA 0.334 4.702 4.480 -0.186 0.000 0.335 779 M C -0.285 176.185 176.300 0.282 0.000 1.053 779 M CA -0.306 55.165 55.300 0.285 0.000 0.973 779 M CB 1.810 34.611 32.600 0.335 0.000 1.623 779 M HN 0.412 nan 8.290 nan 0.000 0.434 780 E N 3.555 123.942 120.200 0.313 0.000 2.113 780 E HA 0.250 4.488 4.350 -0.186 0.000 0.273 780 E C -1.036 175.822 176.600 0.429 0.000 0.924 780 E CA -0.519 56.052 56.400 0.285 0.000 0.764 780 E CB 0.819 30.660 29.700 0.236 0.000 1.104 780 E HN 0.681 nan 8.360 nan 0.000 0.406 781 H N 3.598 122.795 119.070 0.211 0.000 2.707 781 H HA 0.019 4.463 4.556 -0.186 0.000 0.359 781 H C 0.804 176.290 175.328 0.263 0.000 1.113 781 H CA -0.779 55.389 56.048 0.199 0.000 1.422 781 H CB 1.144 30.991 29.762 0.141 0.000 1.443 781 H HN 0.546 nan 8.280 nan 0.000 0.591 782 I N 1.382 122.171 120.570 0.366 0.000 2.206 782 I HA -0.132 3.926 4.170 -0.186 0.000 0.239 782 I C 0.702 176.988 176.117 0.282 0.000 1.078 782 I CA 1.121 62.608 61.300 0.313 0.000 1.367 782 I CB -0.203 37.925 38.000 0.215 0.000 1.078 782 I HN 0.613 nan 8.210 nan 0.000 0.413 783 E N 2.002 122.351 120.200 0.247 0.000 2.373 783 E HA 0.072 4.311 4.350 -0.186 0.000 0.267 783 E C 0.172 176.921 176.600 0.248 0.000 1.032 783 E CA -0.305 56.228 56.400 0.222 0.000 0.889 783 E CB 0.210 30.023 29.700 0.188 0.000 0.984 783 E HN 0.165 nan 8.360 nan 0.000 0.425 784 Q N 1.502 121.423 119.800 0.203 0.000 2.500 784 Q HA 0.292 4.520 4.340 -0.186 0.000 0.215 784 Q C -0.305 175.811 176.000 0.193 0.000 1.062 784 Q CA -0.569 55.336 55.803 0.169 0.000 0.996 784 Q CB 0.412 29.236 28.738 0.142 0.000 1.239 784 Q HN 0.488 nan 8.270 nan 0.000 0.578 785 A N -0.348 122.546 122.820 0.123 0.000 2.540 785 A HA 0.415 4.623 4.320 -0.186 0.000 0.239 785 A C 1.153 178.964 177.584 0.377 0.000 1.061 785 A CA 0.871 52.993 52.037 0.142 0.000 0.758 785 A CB -0.902 18.072 19.000 -0.044 0.000 0.991 785 A HN 1.495 nan 8.150 nan 0.000 0.502 786 G N 0.383 109.430 108.800 0.411 0.000 2.211 786 G HA2 -0.081 3.767 3.960 -0.186 0.000 0.201 786 G HA3 -0.081 3.767 3.960 -0.186 0.000 0.201 786 G C 0.008 175.000 174.900 0.154 0.000 0.997 786 G CA 0.053 45.357 45.100 0.339 0.000 0.652 786 G HN 1.545 nan 8.290 nan 0.000 0.500 787 V N 2.938 122.969 119.914 0.194 0.000 2.325 787 V HA 0.387 4.396 4.120 -0.186 0.000 0.280 787 V C 0.676 176.883 176.094 0.188 0.000 1.016 787 V CA -1.080 61.324 62.300 0.173 0.000 0.818 787 V CB 1.166 33.093 31.823 0.172 0.000 1.019 787 V HN 0.450 nan 8.190 nan 0.000 0.434 788 H N 3.345 122.467 119.070 0.087 0.000 3.198 788 H HA -0.124 4.334 4.556 -0.164 0.000 0.296 788 H C 1.564 176.921 175.328 0.048 0.000 0.935 788 H CA 1.203 57.292 56.048 0.069 0.000 1.365 788 H CB 1.012 30.795 29.762 0.035 0.000 1.267 788 H HN 0.830 nan 8.280 nan 0.000 0.572 789 S N 3.577 119.130 115.700 -0.245 0.000 2.372 789 S HA -0.219 4.140 4.470 -0.186 0.000 0.227 789 S C 2.375 176.934 174.600 -0.070 0.000 1.044 789 S CA 1.097 59.196 58.200 -0.169 0.000 1.050 789 S CB -0.813 62.324 63.200 -0.105 0.000 0.901 789 S HN 0.798 nan 8.310 nan 0.000 0.447 790 G N 1.514 110.488 108.800 0.291 0.000 2.549 790 G HA2 -0.188 3.661 3.960 -0.186 0.000 0.222 790 G HA3 -0.188 3.661 3.960 -0.186 0.000 0.222 790 G C 0.605 175.575 174.900 0.116 0.000 1.100 790 G CA 1.248 46.527 45.100 0.298 0.000 0.739 790 G HN 0.542 nan 8.290 nan 0.000 0.577 791 D N -0.821 119.650 120.400 0.119 0.000 2.527 791 D HA 0.173 4.702 4.640 -0.186 0.000 0.224 791 D C 0.358 176.673 176.300 0.025 0.000 1.217 791 D CA -0.092 53.941 54.000 0.056 0.000 0.819 791 D CB 0.772 41.627 40.800 0.091 0.000 1.061 791 D HN 0.185 nan 8.370 nan 0.000 0.515 792 S N 0.422 116.093 115.700 -0.048 0.000 2.578 792 S HA 0.748 5.106 4.470 -0.186 0.000 0.283 792 S C 0.395 174.936 174.600 -0.098 0.000 1.195 792 S CA -0.900 57.265 58.200 -0.058 0.000 1.050 792 S CB 2.207 65.340 63.200 -0.111 0.000 1.012 792 S HN 0.202 nan 8.310 nan 0.000 0.511 793 A N 0.701 123.526 122.820 0.010 0.000 2.327 793 A HA 0.643 4.851 4.320 -0.186 0.000 0.255 793 A C 0.406 177.999 177.584 0.014 0.000 1.099 793 A CA -0.468 51.575 52.037 0.010 0.000 0.801 793 A CB -0.469 18.634 19.000 0.172 0.000 1.062 793 A HN 1.513 nan 8.150 nan 0.000 0.496 794 C N -0.251 119.055 119.300 0.009 0.000 3.170 794 C HA 0.852 5.200 4.460 -0.186 0.000 0.319 794 C C -0.313 174.805 174.990 0.213 0.000 1.260 794 C CA -0.103 58.989 59.018 0.124 0.000 1.374 794 C CB 0.874 28.670 27.740 0.093 0.000 1.739 794 C HN 1.587 nan 8.230 nan 0.000 0.479 795 S N 2.633 118.547 115.700 0.357 0.000 2.482 795 S HA 0.783 5.141 4.470 -0.186 0.000 0.303 795 S C -1.182 173.712 174.600 0.491 0.000 1.091 795 S CA -0.555 57.922 58.200 0.461 0.000 1.057 795 S CB 1.414 64.926 63.200 0.521 0.000 1.031 795 S HN 1.288 nan 8.310 nan 0.000 0.485 796 L N 4.196 125.732 121.223 0.521 0.000 2.372 796 L HA 0.577 4.805 4.340 -0.186 0.000 0.274 796 L C -2.547 174.482 176.870 0.265 0.000 0.988 796 L CA -2.469 52.587 54.840 0.361 0.000 0.833 796 L CB 2.377 44.594 42.059 0.264 0.000 1.236 796 L HN 0.555 nan 8.230 nan 0.000 0.410 797 P HA 0.090 nan 4.420 nan 0.000 0.271 797 P C -0.707 176.796 177.300 0.339 0.000 1.233 797 P CA -0.339 62.850 63.100 0.148 0.000 0.789 797 P CB 0.532 32.227 31.700 -0.009 0.000 0.951 798 A N 1.573 124.544 122.820 0.252 0.000 2.567 798 A HA 0.012 4.221 4.320 -0.186 0.000 0.240 798 A C 0.696 178.449 177.584 0.283 0.000 1.053 798 A CA 0.065 52.259 52.037 0.261 0.000 0.755 798 A CB -0.929 18.137 19.000 0.111 0.000 0.978 798 A HN 0.707 nan 8.150 nan 0.000 0.507 799 Y N 1.310 121.621 120.300 0.018 0.000 2.511 799 Y HA 0.241 4.679 4.550 -0.187 0.000 0.279 799 Y C 1.475 177.228 175.900 -0.245 0.000 1.157 799 Y CA 1.056 59.031 58.100 -0.210 0.000 1.300 799 Y CB -0.240 37.707 38.460 -0.856 0.000 1.052 799 Y HN 0.625 nan 8.280 nan 0.000 0.529 800 T N -2.054 112.146 114.554 -0.589 0.000 3.051 800 T HA 0.283 4.521 4.350 -0.186 0.000 0.254 800 T C 0.281 174.806 174.700 -0.290 0.000 0.916 800 T CA -0.224 61.556 62.100 -0.534 0.000 0.894 800 T CB -0.731 67.655 68.868 -0.805 0.000 1.251 800 T HN 0.132 nan 8.240 nan 0.000 0.517 801 L N 3.814 124.908 121.223 -0.215 0.000 2.483 801 L HA 0.400 4.628 4.340 -0.186 0.000 0.275 801 L C 0.794 177.608 176.870 -0.094 0.000 1.220 801 L CA -0.424 54.337 54.840 -0.131 0.000 0.833 801 L CB 0.677 42.682 42.059 -0.090 0.000 1.102 801 L HN 0.463 nan 8.230 nan 0.000 0.490 802 S N 0.849 116.497 115.700 -0.086 0.000 2.562 802 S HA 0.115 4.473 4.470 -0.186 0.000 0.275 802 S C 0.489 175.053 174.600 -0.061 0.000 1.281 802 S CA -0.767 57.392 58.200 -0.070 0.000 1.045 802 S CB 1.808 64.968 63.200 -0.068 0.000 0.962 802 S HN 0.639 nan 8.310 nan 0.000 0.503 803 Q N 1.372 121.143 119.800 -0.049 0.000 2.152 803 Q HA -0.217 4.011 4.340 -0.186 0.000 0.206 803 Q C 1.968 177.936 176.000 -0.052 0.000 0.985 803 Q CA 2.308 58.084 55.803 -0.044 0.000 0.863 803 Q CB -0.338 28.379 28.738 -0.035 0.000 0.904 803 Q HN 0.952 nan 8.270 nan 0.000 0.422 804 E N -0.624 119.544 120.200 -0.054 0.000 2.153 804 E HA -0.191 4.047 4.350 -0.186 0.000 0.194 804 E C 1.766 178.321 176.600 -0.075 0.000 0.988 804 E CA 1.083 57.448 56.400 -0.057 0.000 0.811 804 E CB -0.107 29.562 29.700 -0.052 0.000 0.746 804 E HN 0.507 nan 8.360 nan 0.000 0.466 805 I N 0.591 121.110 120.570 -0.085 0.000 2.480 805 I HA -0.184 3.875 4.170 -0.186 0.000 0.251 805 I C 2.341 178.370 176.117 -0.146 0.000 1.124 805 I CA 0.710 61.942 61.300 -0.113 0.000 1.444 805 I CB -0.216 37.721 38.000 -0.106 0.000 1.098 805 I HN 0.239 nan 8.210 nan 0.000 0.428 806 Q N 0.406 120.138 119.800 -0.114 0.000 2.135 806 Q HA -0.253 3.975 4.340 -0.186 0.000 0.204 806 Q C 1.546 177.474 176.000 -0.121 0.000 0.981 806 Q CA 1.595 57.331 55.803 -0.112 0.000 0.856 806 Q CB -0.110 28.592 28.738 -0.061 0.000 0.902 806 Q HN 0.492 nan 8.270 nan 0.000 0.425 807 D N -0.083 120.260 120.400 -0.095 0.000 2.218 807 D HA -0.108 4.420 4.640 -0.186 0.000 0.204 807 D C 1.885 178.122 176.300 -0.104 0.000 0.976 807 D CA 0.800 54.753 54.000 -0.079 0.000 0.853 807 D CB 0.129 40.895 40.800 -0.056 0.000 0.939 807 D HN 0.092 nan 8.370 nan 0.000 0.481 808 V N 1.029 120.853 119.914 -0.150 0.000 2.453 808 V HA -0.186 3.822 4.120 -0.186 0.000 0.247 808 V C 2.493 178.442 176.094 -0.242 0.000 1.048 808 V CA 1.098 63.297 62.300 -0.169 0.000 1.049 808 V CB -0.307 31.406 31.823 -0.183 0.000 0.672 808 V HN 0.192 nan 8.190 nan 0.000 0.457 809 M N -0.915 118.439 119.600 -0.411 0.000 2.175 809 M HA -0.103 4.266 4.480 -0.186 0.000 0.264 809 M C 2.451 178.634 176.300 -0.194 0.000 1.063 809 M CA 1.567 56.454 55.300 -0.688 0.000 1.119 809 M CB -0.535 31.454 32.600 -1.018 0.000 1.377 809 M HN 0.205 nan 8.290 nan 0.000 0.415 810 R N 0.470 120.901 120.500 -0.114 0.000 2.097 810 R HA -0.227 4.001 4.340 -0.186 0.000 0.236 810 R C 2.226 178.535 176.300 0.015 0.000 1.135 810 R CA 2.006 58.096 56.100 -0.017 0.000 0.934 810 R CB -0.721 29.566 30.300 -0.022 0.000 0.846 810 R HN 0.501 nan 8.270 nan 0.000 0.431 811 Q N 0.716 120.512 119.800 -0.008 0.000 2.124 811 Q HA -0.205 4.023 4.340 -0.186 0.000 0.202 811 Q C 2.068 178.105 176.000 0.063 0.000 0.977 811 Q CA 1.518 57.336 55.803 0.025 0.000 0.850 811 Q CB 0.131 28.871 28.738 0.004 0.000 0.901 811 Q HN 0.405 nan 8.270 nan 0.000 0.429 812 Q N -0.866 118.974 119.800 0.068 0.000 2.083 812 Q HA -0.112 4.117 4.340 -0.186 0.000 0.198 812 Q C 2.156 178.292 176.000 0.227 0.000 0.969 812 Q CA 1.428 57.328 55.803 0.163 0.000 0.838 812 Q CB 0.220 29.094 28.738 0.226 0.000 0.900 812 Q HN 0.265 nan 8.270 nan 0.000 0.436 813 V N 0.910 120.986 119.914 0.269 0.000 2.255 813 V HA -0.338 3.670 4.120 -0.186 0.000 0.247 813 V C 2.307 178.449 176.094 0.081 0.000 1.051 813 V CA 2.212 64.633 62.300 0.200 0.000 1.018 813 V CB -0.658 31.282 31.823 0.196 0.000 0.641 813 V HN 0.428 nan 8.190 nan 0.000 0.445 814 Q N -0.114 119.719 119.800 0.055 0.000 2.096 814 Q HA -0.339 3.890 4.340 -0.186 0.000 0.208 814 Q C 2.267 178.319 176.000 0.088 0.000 0.993 814 Q CA 2.454 58.256 55.803 -0.001 0.000 0.862 814 Q CB -0.123 28.671 28.738 0.092 0.000 0.915 814 Q HN 0.508 nan 8.270 nan 0.000 0.416 815 K N -0.112 120.380 120.400 0.154 0.000 2.044 815 K HA -0.161 4.047 4.320 -0.186 0.000 0.210 815 K C 1.933 178.629 176.600 0.160 0.000 1.049 815 K CA 1.603 57.998 56.287 0.181 0.000 0.927 815 K CB -0.222 32.357 32.500 0.131 0.000 0.713 815 K HN 0.210 nan 8.250 nan 0.000 0.443 816 L N -0.240 121.056 121.223 0.122 0.000 2.056 816 L HA -0.141 4.087 4.340 -0.186 0.000 0.207 816 L C 2.326 179.241 176.870 0.076 0.000 1.078 816 L CA 1.334 56.242 54.840 0.113 0.000 0.749 816 L CB -0.656 41.479 42.059 0.127 0.000 0.901 816 L HN 0.197 nan 8.230 nan 0.000 0.433 817 A N 0.471 123.285 122.820 -0.010 0.000 1.852 817 A HA -0.269 3.939 4.320 -0.186 0.000 0.217 817 A C 2.077 179.629 177.584 -0.054 0.000 1.215 817 A CA 2.155 54.124 52.037 -0.114 0.000 0.641 817 A CB -1.191 17.614 19.000 -0.325 0.000 0.838 817 A HN 0.290 nan 8.150 nan 0.000 0.450 818 F N 0.133 120.113 119.950 0.050 0.000 2.120 818 F HA -0.181 4.235 4.527 -0.185 0.000 0.300 818 F C 2.369 178.194 175.800 0.041 0.000 1.095 818 F CA 1.833 59.858 58.000 0.041 0.000 1.249 818 F CB -0.878 38.143 39.000 0.035 0.000 0.995 818 F HN 0.463 nan 8.300 nan 0.000 0.480 819 E N 0.735 121.073 120.200 0.230 0.000 2.110 819 E HA -0.180 4.059 4.350 -0.186 0.000 0.193 819 E C 1.733 178.404 176.600 0.117 0.000 0.988 819 E CA 1.561 58.051 56.400 0.150 0.000 0.804 819 E CB -0.461 29.315 29.700 0.126 0.000 0.745 819 E HN 0.467 nan 8.360 nan 0.000 0.458 820 L N -0.291 120.998 121.223 0.110 0.000 2.477 820 L HA 0.173 4.401 4.340 -0.186 0.000 0.220 820 L C 0.117 177.032 176.870 0.076 0.000 1.106 820 L CA 0.053 54.948 54.840 0.092 0.000 0.851 820 L CB -0.051 42.064 42.059 0.093 0.000 0.994 820 L HN -0.004 nan 8.230 nan 0.000 0.462 821 Q N -0.066 119.785 119.800 0.086 0.000 2.388 821 Q HA -0.098 4.130 4.340 -0.186 0.000 0.306 821 Q C -0.761 175.270 176.000 0.053 0.000 1.400 821 Q CA 0.138 55.990 55.803 0.081 0.000 0.731 821 Q CB -1.978 26.802 28.738 0.070 0.000 1.060 821 Q HN 0.169 nan 8.270 nan 0.000 0.354 822 V N 2.658 122.593 119.914 0.035 0.000 2.427 822 V HA 0.200 4.208 4.120 -0.186 0.000 0.268 822 V C 0.849 176.952 176.094 0.015 0.000 1.046 822 V CA 0.088 62.396 62.300 0.014 0.000 0.970 822 V CB 0.855 32.669 31.823 -0.014 0.000 1.001 822 V HN 0.227 nan 8.190 nan 0.000 0.476 823 R N 4.628 125.143 120.500 0.025 0.000 2.505 823 R HA 0.650 4.878 4.340 -0.186 0.000 0.284 823 R C 0.427 176.747 176.300 0.033 0.000 1.324 823 R CA 0.276 56.392 56.100 0.027 0.000 1.432 823 R CB 0.970 31.285 30.300 0.024 0.000 1.107 823 R HN 1.011 nan 8.270 nan 0.000 0.587 824 G N 0.717 109.543 108.800 0.043 0.000 2.265 824 G HA2 -0.130 3.719 3.960 -0.186 0.000 0.246 824 G HA3 -0.130 3.719 3.960 -0.186 0.000 0.246 824 G C -1.050 173.902 174.900 0.088 0.000 1.299 824 G CA -1.028 44.122 45.100 0.083 0.000 1.117 824 G HN 0.292 nan 8.290 nan 0.000 0.485 825 L N 1.452 122.762 121.223 0.145 0.000 2.464 825 L HA 0.710 4.938 4.340 -0.186 0.000 0.264 825 L C 0.936 177.846 176.870 0.066 0.000 1.199 825 L CA 0.109 55.009 54.840 0.100 0.000 0.818 825 L CB 0.943 43.065 42.059 0.105 0.000 1.102 825 L HN 0.955 nan 8.230 nan 0.000 0.473 826 M N 2.340 121.962 119.600 0.036 0.000 2.643 826 M HA 0.402 4.771 4.480 -0.186 0.000 0.276 826 M C -2.109 174.198 176.300 0.011 0.000 1.200 826 M CA -0.744 54.567 55.300 0.019 0.000 0.863 826 M CB 2.393 34.995 32.600 0.003 0.000 1.711 826 M HN 0.526 nan 8.290 nan 0.000 0.492 827 N N 1.581 120.278 118.700 -0.005 0.000 2.260 827 N HA 0.709 5.337 4.740 -0.186 0.000 0.293 827 N C -2.274 173.200 175.510 -0.061 0.000 1.058 827 N CA -0.277 52.766 53.050 -0.011 0.000 0.824 827 N CB 2.991 41.480 38.487 0.004 0.000 1.551 827 N HN 0.634 nan 8.380 nan 0.000 0.475 828 V N 2.373 122.241 119.914 -0.076 0.000 2.656 828 V HA 0.426 4.434 4.120 -0.186 0.000 0.307 828 V C -0.655 175.282 176.094 -0.263 0.000 1.051 828 V CA -0.748 61.413 62.300 -0.232 0.000 0.893 828 V CB 1.840 33.453 31.823 -0.350 0.000 0.999 828 V HN 0.611 nan 8.190 nan 0.000 0.426 829 Q N 3.296 122.886 119.800 -0.349 0.000 2.331 829 Q HA 0.698 4.927 4.340 -0.186 0.000 0.267 829 Q C -1.583 174.234 176.000 -0.305 0.000 1.006 829 Q CA -0.287 55.388 55.803 -0.214 0.000 0.818 829 Q CB 2.499 31.181 28.738 -0.094 0.000 1.276 829 Q HN 0.651 nan 8.270 nan 0.000 0.450 830 F N 0.459 120.413 119.950 0.005 0.000 2.631 830 F HA 0.831 5.247 4.527 -0.184 0.000 0.350 830 F C -0.137 175.658 175.800 -0.010 0.000 1.080 830 F CA -1.123 56.892 58.000 0.025 0.000 1.026 830 F CB 1.532 40.545 39.000 0.022 0.000 1.347 830 F HN 0.486 nan 8.300 nan 0.000 0.501 831 A N 0.718 123.697 122.820 0.265 0.000 2.414 831 A HA 0.678 4.886 4.320 -0.186 0.000 0.286 831 A C -1.811 175.865 177.584 0.154 0.000 1.073 831 A CA -0.572 51.530 52.037 0.108 0.000 0.727 831 A CB 0.890 19.888 19.000 -0.003 0.000 1.215 831 A HN 0.451 nan 8.150 nan 0.000 0.430 832 V N 3.218 123.171 119.914 0.065 0.000 2.364 832 V HA 0.448 4.456 4.120 -0.186 0.000 0.272 832 V C 0.229 176.350 176.094 0.046 0.000 1.036 832 V CA -0.198 62.147 62.300 0.074 0.000 0.880 832 V CB 1.163 32.990 31.823 0.007 0.000 0.991 832 V HN 0.783 nan 8.190 nan 0.000 0.460 833 K N 4.556 125.041 120.400 0.141 0.000 2.604 833 K HA 0.388 4.597 4.320 -0.186 0.000 0.247 833 K C -0.205 176.472 176.600 0.127 0.000 0.956 833 K CA -0.515 55.816 56.287 0.074 0.000 0.896 833 K CB 0.505 32.964 32.500 -0.069 0.000 1.131 833 K HN 0.810 nan 8.250 nan 0.000 0.440 834 N N 3.791 122.518 118.700 0.045 0.000 2.753 834 N HA -0.212 4.416 4.740 -0.186 0.000 0.252 834 N C -0.660 174.865 175.510 0.024 0.000 1.071 834 N CA 0.705 53.774 53.050 0.032 0.000 0.690 834 N CB -1.033 37.486 38.487 0.052 0.000 0.906 834 N HN 0.934 nan 8.380 nan 0.000 0.552 835 N N -0.519 118.180 118.700 -0.001 0.000 2.696 835 N HA -0.234 4.394 4.740 -0.186 0.000 0.249 835 N C -1.393 174.100 175.510 -0.029 0.000 1.090 835 N CA 1.179 54.214 53.050 -0.025 0.000 0.716 835 N CB -0.140 38.326 38.487 -0.035 0.000 1.020 835 N HN 0.494 nan 8.380 nan 0.000 0.548 836 E N 0.471 120.675 120.200 0.008 0.000 2.244 836 E HA 0.240 4.478 4.350 -0.186 0.000 0.260 836 E C -0.603 175.982 176.600 -0.025 0.000 0.884 836 E CA -0.580 55.794 56.400 -0.045 0.000 0.777 836 E CB 2.318 32.015 29.700 -0.005 0.000 1.197 836 E HN -0.030 nan 8.360 nan 0.000 0.416 837 V N 4.363 124.187 119.914 -0.151 0.000 2.432 837 V HA 0.208 4.216 4.120 -0.186 0.000 0.271 837 V C -0.767 175.240 176.094 -0.146 0.000 1.046 837 V CA -0.198 62.056 62.300 -0.076 0.000 0.945 837 V CB -0.109 31.616 31.823 -0.163 0.000 0.992 837 V HN 0.486 nan 8.190 nan 0.000 0.471 838 Y N 4.195 124.560 120.300 0.107 0.000 2.364 838 Y HA 0.532 4.971 4.550 -0.185 0.000 0.340 838 Y C -0.135 175.893 175.900 0.213 0.000 0.975 838 Y CA -1.079 57.095 58.100 0.123 0.000 1.089 838 Y CB 1.719 40.216 38.460 0.062 0.000 1.192 838 Y HN 0.429 nan 8.280 nan 0.000 0.454 839 L N 4.579 125.989 121.223 0.311 0.000 2.315 839 L HA 0.297 4.525 4.340 -0.186 0.000 0.283 839 L C 0.386 177.364 176.870 0.180 0.000 1.089 839 L CA 0.669 55.635 54.840 0.210 0.000 0.833 839 L CB 0.075 42.232 42.059 0.163 0.000 1.170 839 L HN 0.793 nan 8.230 nan 0.000 0.442 840 I N 2.802 123.425 120.570 0.089 0.000 2.628 840 I HA 0.087 4.145 4.170 -0.186 0.000 0.255 840 I C 0.463 176.620 176.117 0.066 0.000 1.119 840 I CA 0.356 61.703 61.300 0.078 0.000 1.448 840 I CB 0.320 38.337 38.000 0.028 0.000 1.133 840 I HN 0.748 nan 8.210 nan 0.000 0.438 841 E N -0.267 119.911 120.200 -0.036 0.000 2.403 841 E HA 0.367 4.605 4.350 -0.186 0.000 0.280 841 E C -1.778 174.637 176.600 -0.309 0.000 1.101 841 E CA -0.700 55.575 56.400 -0.209 0.000 0.856 841 E CB 2.033 31.613 29.700 -0.200 0.000 1.303 841 E HN -0.210 nan 8.360 nan 0.000 0.441 842 V N 2.212 121.796 119.914 -0.550 0.000 2.483 842 V HA 0.459 4.467 4.120 -0.186 0.000 0.297 842 V C -0.937 174.975 176.094 -0.303 0.000 1.027 842 V CA -0.938 61.140 62.300 -0.370 0.000 0.855 842 V CB 1.672 33.323 31.823 -0.286 0.000 0.995 842 V HN 0.625 nan 8.190 nan 0.000 0.424 843 N N 6.196 124.797 118.700 -0.165 0.000 2.564 843 N HA 0.326 4.954 4.740 -0.186 0.000 0.248 843 N C -2.589 172.892 175.510 -0.048 0.000 0.986 843 N CA -1.299 51.691 53.050 -0.100 0.000 0.921 843 N CB 2.434 40.890 38.487 -0.052 0.000 1.136 843 N HN 0.362 nan 8.380 nan 0.000 0.509 844 P HA 0.032 nan 4.420 nan 0.000 0.269 844 P C -0.298 177.020 177.300 0.029 0.000 1.601 844 P CA 0.425 63.522 63.100 -0.006 0.000 0.831 844 P CB -0.063 31.633 31.700 -0.007 0.000 1.688 845 R N -2.019 118.509 120.500 0.047 0.000 2.909 845 R HA 0.777 5.005 4.340 -0.186 0.000 0.262 845 R C -0.928 175.434 176.300 0.103 0.000 1.095 845 R CA -1.240 54.920 56.100 0.100 0.000 0.965 845 R CB 0.195 30.554 30.300 0.098 0.000 1.300 845 R HN -0.188 nan 8.270 nan 0.000 0.442 846 A N 0.557 123.458 122.820 0.134 0.000 2.454 846 A HA 0.594 4.802 4.320 -0.186 0.000 0.260 846 A C -0.019 177.646 177.584 0.134 0.000 1.106 846 A CA 0.118 52.177 52.037 0.036 0.000 0.780 846 A CB -0.061 18.876 19.000 -0.105 0.000 1.044 846 A HN 0.743 nan 8.150 nan 0.000 0.498 847 A N 2.252 125.096 122.820 0.040 0.000 2.294 847 A HA 0.604 4.813 4.320 -0.186 0.000 0.330 847 A C 1.126 178.619 177.584 -0.151 0.000 1.133 847 A CA -0.465 51.605 52.037 0.056 0.000 0.836 847 A CB 0.442 19.463 19.000 0.035 0.000 1.190 847 A HN 1.077 nan 8.150 nan 0.000 0.492 848 R N -0.232 120.136 120.500 -0.220 0.000 2.369 848 R HA -0.051 4.177 4.340 -0.186 0.000 0.200 848 R C 0.326 176.477 176.300 -0.250 0.000 1.046 848 R CA 1.621 57.437 56.100 -0.473 0.000 1.057 848 R CB -0.825 29.266 30.300 -0.349 0.000 0.888 848 R HN 0.620 nan 8.270 nan 0.000 0.474 849 T N -2.808 111.672 114.554 -0.122 0.000 3.037 849 T HA 0.121 4.359 4.350 -0.186 0.000 0.251 849 T C 1.845 176.547 174.700 0.003 0.000 1.079 849 T CA 0.215 62.303 62.100 -0.019 0.000 1.067 849 T CB 0.074 68.977 68.868 0.058 0.000 0.948 849 T HN 0.028 nan 8.240 nan 0.000 0.496 850 V N 3.073 122.941 119.914 -0.076 0.000 2.250 850 V HA -0.179 3.829 4.120 -0.186 0.000 0.250 850 V C -0.129 175.913 176.094 -0.086 0.000 1.060 850 V CA 2.196 64.454 62.300 -0.070 0.000 1.030 850 V CB -1.849 29.911 31.823 -0.106 0.000 0.643 850 V HN 0.367 nan 8.190 nan 0.000 0.445 851 P HA -0.210 nan 4.420 nan 0.000 0.214 851 P C 1.773 178.941 177.300 -0.220 0.000 1.163 851 P CA 1.730 64.541 63.100 -0.482 0.000 0.889 851 P CB -0.258 30.856 31.700 -0.977 0.000 0.790 852 F N 0.942 120.749 119.950 -0.238 0.000 2.069 852 F HA -0.214 4.203 4.527 -0.183 0.000 0.298 852 F C 2.027 177.803 175.800 -0.041 0.000 1.113 852 F CA 1.524 59.452 58.000 -0.121 0.000 1.214 852 F CB -1.185 37.759 39.000 -0.093 0.000 0.978 852 F HN -0.315 nan 8.300 nan 0.000 0.474 853 V N -0.114 119.739 119.914 -0.103 0.000 2.392 853 V HA -0.315 3.694 4.120 -0.186 0.000 0.249 853 V C 2.483 178.499 176.094 -0.130 0.000 1.059 853 V CA 2.132 64.332 62.300 -0.165 0.000 1.051 853 V CB -1.078 30.740 31.823 -0.008 0.000 0.658 853 V HN 0.421 nan 8.190 nan 0.000 0.455 854 S N -0.721 114.945 115.700 -0.056 0.000 2.383 854 S HA -0.183 4.175 4.470 -0.186 0.000 0.227 854 S C 2.025 176.642 174.600 0.028 0.000 1.026 854 S CA 1.291 59.504 58.200 0.021 0.000 0.981 854 S CB -0.243 63.050 63.200 0.155 0.000 0.818 854 S HN 0.428 nan 8.310 nan 0.000 0.472 855 K N 1.876 122.270 120.400 -0.011 0.000 2.103 855 K HA 0.208 4.417 4.320 -0.186 0.000 0.204 855 K C 2.107 178.743 176.600 0.060 0.000 1.052 855 K CA 1.037 57.355 56.287 0.051 0.000 0.945 855 K CB -0.631 31.853 32.500 -0.027 0.000 0.722 855 K HN 0.291 nan 8.250 nan 0.000 0.443 856 A N -0.061 122.669 122.820 -0.150 0.000 1.873 856 A HA -0.157 4.052 4.320 -0.186 0.000 0.215 856 A C 2.213 179.824 177.584 0.045 0.000 1.186 856 A CA 2.358 54.333 52.037 -0.104 0.000 0.616 856 A CB -1.095 17.653 19.000 -0.420 0.000 0.823 856 A HN 0.477 nan 8.150 nan 0.000 0.442 857 T N -4.677 109.833 114.554 -0.074 0.000 3.067 857 T HA 0.376 4.614 4.350 -0.186 0.000 0.257 857 T C 1.435 175.965 174.700 -0.283 0.000 1.105 857 T CA 1.189 63.213 62.100 -0.126 0.000 1.104 857 T CB 0.001 68.802 68.868 -0.112 0.000 0.925 857 T HN 1.786 nan 8.240 nan 0.000 0.498 858 G N 0.562 109.088 108.800 -0.457 0.000 2.148 858 G HA2 -0.205 3.644 3.960 -0.186 0.000 0.254 858 G HA3 -0.205 3.644 3.960 -0.186 0.000 0.254 858 G C 0.029 174.741 174.900 -0.314 0.000 0.981 858 G CA 0.056 44.585 45.100 -0.952 0.000 0.670 858 G HN 0.768 nan 8.290 nan 0.000 0.528 859 V N 2.100 121.920 119.914 -0.156 0.000 2.293 859 V HA 0.384 4.392 4.120 -0.186 0.000 0.275 859 V C -1.595 174.508 176.094 0.016 0.000 1.021 859 V CA -1.415 60.849 62.300 -0.061 0.000 0.815 859 V CB 1.651 33.439 31.823 -0.057 0.000 1.025 859 V HN 0.128 nan 8.190 nan 0.000 0.448 860 P HA 0.046 nan 4.420 nan 0.000 0.232 860 P C 1.270 178.638 177.300 0.113 0.000 1.606 860 P CA 0.287 63.441 63.100 0.089 0.000 1.105 860 P CB -0.006 31.682 31.700 -0.020 0.000 1.919 861 L N 0.528 121.823 121.223 0.120 0.000 2.103 861 L HA -0.304 3.924 4.340 -0.186 0.000 0.215 861 L C 2.358 179.300 176.870 0.120 0.000 1.080 861 L CA 2.054 56.950 54.840 0.093 0.000 0.764 861 L CB -0.789 41.304 42.059 0.058 0.000 0.890 861 L HN 0.203 nan 8.230 nan 0.000 0.435 862 A N -0.340 122.589 122.820 0.181 0.000 1.898 862 A HA -0.152 4.056 4.320 -0.186 0.000 0.214 862 A C 2.284 180.046 177.584 0.296 0.000 1.183 862 A CA 1.184 53.335 52.037 0.190 0.000 0.622 862 A CB -0.238 18.841 19.000 0.131 0.000 0.824 862 A HN 0.288 nan 8.150 nan 0.000 0.444 863 K N -0.089 120.427 120.400 0.194 0.000 2.044 863 K HA -0.143 4.065 4.320 -0.186 0.000 0.210 863 K C 1.912 178.572 176.600 0.101 0.000 1.049 863 K CA 1.703 58.044 56.287 0.090 0.000 0.927 863 K CB -0.551 31.918 32.500 -0.051 0.000 0.713 863 K HN 0.338 nan 8.250 nan 0.000 0.443 864 V N 1.409 121.381 119.914 0.096 0.000 2.237 864 V HA -0.266 3.742 4.120 -0.186 0.000 0.245 864 V C 2.422 178.576 176.094 0.100 0.000 1.046 864 V CA 2.155 64.503 62.300 0.080 0.000 1.007 864 V CB -0.910 30.950 31.823 0.063 0.000 0.638 864 V HN 0.384 nan 8.190 nan 0.000 0.445 865 A N -0.166 122.741 122.820 0.146 0.000 2.019 865 A HA -0.063 4.145 4.320 -0.186 0.000 0.219 865 A C 2.370 180.041 177.584 0.145 0.000 1.164 865 A CA 2.039 54.173 52.037 0.163 0.000 0.644 865 A CB -0.709 18.433 19.000 0.236 0.000 0.805 865 A HN 0.600 nan 8.150 nan 0.000 0.449 866 A N 0.374 123.303 122.820 0.182 0.000 1.845 866 A HA -0.167 4.042 4.320 -0.186 0.000 0.215 866 A C 2.184 179.764 177.584 -0.007 0.000 1.195 866 A CA 1.491 53.546 52.037 0.030 0.000 0.616 866 A CB -0.554 18.486 19.000 0.067 0.000 0.832 866 A HN 0.546 nan 8.150 nan 0.000 0.443 867 R N -0.614 119.910 120.500 0.040 0.000 2.139 867 R HA -0.105 4.124 4.340 -0.186 0.000 0.243 867 R C 1.901 178.226 176.300 0.042 0.000 1.145 867 R CA 1.375 57.505 56.100 0.049 0.000 0.976 867 R CB -0.641 29.698 30.300 0.066 0.000 0.866 867 R HN 0.397 nan 8.270 nan 0.000 0.449 868 V N 1.095 121.033 119.914 0.040 0.000 2.379 868 V HA -0.202 3.806 4.120 -0.186 0.000 0.245 868 V C 2.288 178.392 176.094 0.017 0.000 1.044 868 V CA 1.633 63.954 62.300 0.036 0.000 1.036 868 V CB -0.306 31.544 31.823 0.045 0.000 0.664 868 V HN 0.311 nan 8.190 nan 0.000 0.453 869 M N -0.286 119.309 119.600 -0.008 0.000 2.213 869 M HA -0.147 4.222 4.480 -0.186 0.000 0.263 869 M C 2.243 178.512 176.300 -0.052 0.000 1.062 869 M CA 1.978 57.254 55.300 -0.040 0.000 1.105 869 M CB -0.467 32.076 32.600 -0.095 0.000 1.385 869 M HN 0.418 nan 8.290 nan 0.000 0.417 870 A N -0.753 122.031 122.820 -0.060 0.000 1.970 870 A HA 0.210 4.418 4.320 -0.186 0.000 0.216 870 A C 1.928 179.531 177.584 0.032 0.000 1.170 870 A CA 1.636 53.638 52.037 -0.058 0.000 0.645 870 A CB -0.315 18.607 19.000 -0.130 0.000 0.816 870 A HN 0.587 nan 8.150 nan 0.000 0.447 871 G N -1.726 107.101 108.800 0.044 0.000 3.259 871 G HA2 -0.048 3.801 3.960 -0.186 0.000 0.217 871 G HA3 -0.048 3.801 3.960 -0.186 0.000 0.217 871 G C 0.226 175.160 174.900 0.056 0.000 0.993 871 G CA 0.103 45.237 45.100 0.056 0.000 0.836 871 G HN 0.406 nan 8.290 nan 0.000 0.514 872 K N 2.367 122.805 120.400 0.064 0.000 2.297 872 K HA 0.528 4.736 4.320 -0.186 0.000 0.286 872 K C 0.869 177.497 176.600 0.046 0.000 1.053 872 K CA 0.316 56.636 56.287 0.055 0.000 0.940 872 K CB 0.719 33.255 32.500 0.061 0.000 1.019 872 K HN 0.369 nan 8.250 nan 0.000 0.475 873 S N 3.348 119.073 115.700 0.041 0.000 2.617 873 S HA 0.123 4.481 4.470 -0.186 0.000 0.269 873 S C 1.381 176.003 174.600 0.037 0.000 1.292 873 S CA -0.678 57.547 58.200 0.041 0.000 1.010 873 S CB 0.926 64.151 63.200 0.041 0.000 0.944 873 S HN 0.689 nan 8.310 nan 0.000 0.536 874 L N 1.736 122.982 121.223 0.038 0.000 2.129 874 L HA -0.142 4.086 4.340 -0.186 0.000 0.212 874 L C 2.944 179.831 176.870 0.029 0.000 1.087 874 L CA 1.848 56.708 54.840 0.033 0.000 0.757 874 L CB -0.948 41.131 42.059 0.034 0.000 0.896 874 L HN 0.973 nan 8.230 nan 0.000 0.434 875 A N -0.459 122.381 122.820 0.033 0.000 1.855 875 A HA -0.234 3.975 4.320 -0.186 0.000 0.215 875 A C 2.185 179.783 177.584 0.023 0.000 1.191 875 A CA 1.733 53.787 52.037 0.028 0.000 0.613 875 A CB -0.471 18.548 19.000 0.032 0.000 0.829 875 A HN 0.431 nan 8.150 nan 0.000 0.442 876 E N -0.423 119.791 120.200 0.025 0.000 2.204 876 E HA -0.175 4.063 4.350 -0.186 0.000 0.194 876 E C 2.172 178.784 176.600 0.019 0.000 0.989 876 E CA 1.062 57.475 56.400 0.021 0.000 0.824 876 E CB -0.088 29.626 29.700 0.024 0.000 0.756 876 E HN 0.711 nan 8.360 nan 0.000 0.477 877 Q N -0.910 118.903 119.800 0.022 0.000 2.311 877 Q HA 0.007 4.236 4.340 -0.186 0.000 0.203 877 Q C 1.210 177.218 176.000 0.013 0.000 0.954 877 Q CA 0.632 56.447 55.803 0.019 0.000 0.885 877 Q CB 0.495 29.248 28.738 0.025 0.000 0.963 877 Q HN 0.385 nan 8.270 nan 0.000 0.471 878 G N 0.915 109.722 108.800 0.013 0.000 2.160 878 G HA2 -0.237 3.612 3.960 -0.186 0.000 0.251 878 G HA3 -0.237 3.612 3.960 -0.186 0.000 0.251 878 G C 0.008 174.911 174.900 0.005 0.000 1.008 878 G CA 0.207 45.312 45.100 0.008 0.000 0.724 878 G HN 0.239 nan 8.290 nan 0.000 0.514 879 V N 1.614 121.533 119.914 0.009 0.000 2.235 879 V HA 0.484 4.492 4.120 -0.186 0.000 0.266 879 V C 1.129 177.229 176.094 0.009 0.000 1.055 879 V CA 0.569 62.873 62.300 0.005 0.000 0.844 879 V CB 0.673 32.501 31.823 0.008 0.000 1.097 879 V HN 0.596 nan 8.190 nan 0.000 0.453 880 T N -0.436 114.122 114.554 0.007 0.000 2.987 880 T HA 0.269 4.507 4.350 -0.186 0.000 0.248 880 T C 0.669 175.373 174.700 0.006 0.000 0.997 880 T CA -0.180 61.926 62.100 0.011 0.000 1.013 880 T CB 0.463 69.339 68.868 0.014 0.000 1.077 880 T HN 0.392 nan 8.240 nan 0.000 0.483 881 K N 2.343 122.742 120.400 -0.002 0.000 2.118 881 K HA 0.412 4.621 4.320 -0.186 0.000 0.267 881 K C -0.353 176.238 176.600 -0.016 0.000 0.991 881 K CA -0.416 55.866 56.287 -0.008 0.000 0.916 881 K CB 1.946 34.438 32.500 -0.013 0.000 1.041 881 K HN 0.427 nan 8.250 nan 0.000 0.455 882 E N 2.382 122.572 120.200 -0.017 0.000 2.194 882 E HA 0.126 4.364 4.350 -0.186 0.000 0.284 882 E C -0.696 175.880 176.600 -0.040 0.000 1.035 882 E CA -0.571 55.814 56.400 -0.024 0.000 0.836 882 E CB 0.913 30.603 29.700 -0.017 0.000 1.070 882 E HN 0.185 nan 8.360 nan 0.000 0.401 883 V N 5.922 125.804 119.914 -0.054 0.000 2.811 883 V HA 0.137 4.145 4.120 -0.186 0.000 0.302 883 V C 0.414 176.451 176.094 -0.095 0.000 1.063 883 V CA -0.053 62.200 62.300 -0.078 0.000 1.088 883 V CB 0.975 32.742 31.823 -0.094 0.000 0.982 883 V HN 0.693 nan 8.190 nan 0.000 0.485 884 I N 5.049 125.544 120.570 -0.124 0.000 2.595 884 I HA 0.302 4.360 4.170 -0.186 0.000 0.276 884 I C -2.446 173.527 176.117 -0.239 0.000 1.109 884 I CA -1.456 59.750 61.300 -0.157 0.000 1.084 884 I CB 1.560 39.489 38.000 -0.117 0.000 1.206 884 I HN 0.485 nan 8.210 nan 0.000 0.486 885 P HA 0.185 nan 4.420 nan 0.000 0.268 885 P C -1.942 174.976 177.300 -0.637 0.000 1.208 885 P CA -0.789 61.934 63.100 -0.628 0.000 0.777 885 P CB 0.072 31.103 31.700 -1.117 0.000 0.875 886 P HA -0.063 nan 4.420 nan 0.000 0.221 886 P C 0.094 177.200 177.300 -0.324 0.000 1.150 886 P CA 1.375 64.279 63.100 -0.327 0.000 0.800 886 P CB -0.219 31.419 31.700 -0.104 0.000 0.787 887 Y N -3.185 117.061 120.300 -0.091 0.000 2.654 887 Y HA 0.627 5.064 4.550 -0.187 0.000 0.327 887 Y C -0.213 175.592 175.900 -0.158 0.000 1.122 887 Y CA -2.288 55.770 58.100 -0.070 0.000 1.227 887 Y CB -0.207 38.261 38.460 0.013 0.000 1.370 887 Y HN -0.314 nan 8.280 nan 0.000 0.528 888 Y N 0.326 120.840 120.300 0.356 0.000 2.328 888 Y HA 0.512 4.950 4.550 -0.187 0.000 0.337 888 Y C -0.311 175.771 175.900 0.304 0.000 1.008 888 Y CA -0.442 57.827 58.100 0.282 0.000 1.129 888 Y CB 1.819 40.414 38.460 0.226 0.000 1.185 888 Y HN 0.593 nan 8.280 nan 0.000 0.476 889 S N 3.264 119.249 115.700 0.476 0.000 2.498 889 S HA 0.595 4.954 4.470 -0.186 0.000 0.324 889 S C -0.839 174.079 174.600 0.530 0.000 1.071 889 S CA -0.641 57.789 58.200 0.384 0.000 1.113 889 S CB 0.691 63.989 63.200 0.163 0.000 0.976 889 S HN 0.344 nan 8.310 nan 0.000 0.462 890 V N 4.348 124.506 119.914 0.408 0.000 2.555 890 V HA 0.501 4.509 4.120 -0.186 0.000 0.302 890 V C -0.044 176.113 176.094 0.106 0.000 1.038 890 V CA -0.827 61.644 62.300 0.284 0.000 0.887 890 V CB 1.986 33.859 31.823 0.083 0.000 0.991 890 V HN 0.678 nan 8.190 nan 0.000 0.434 891 K N 3.289 123.556 120.400 -0.222 0.000 2.206 891 K HA 0.618 4.827 4.320 -0.186 0.000 0.264 891 K C -0.915 175.496 176.600 -0.314 0.000 0.967 891 K CA -0.407 55.544 56.287 -0.560 0.000 0.844 891 K CB 1.778 33.523 32.500 -1.258 0.000 1.099 891 K HN 0.771 nan 8.250 nan 0.000 0.441 892 E N 2.689 122.733 120.200 -0.260 0.000 2.277 892 E HA 0.343 4.582 4.350 -0.186 0.000 0.266 892 E C -1.332 175.170 176.600 -0.163 0.000 0.901 892 E CA -0.900 55.381 56.400 -0.198 0.000 0.782 892 E CB 1.757 31.313 29.700 -0.240 0.000 1.228 892 E HN 0.371 nan 8.360 nan 0.000 0.424 893 V N 0.973 120.818 119.914 -0.114 0.000 2.975 893 V HA 0.858 4.866 4.120 -0.186 0.000 0.318 893 V C -0.313 175.737 176.094 -0.073 0.000 1.077 893 V CA -0.607 61.637 62.300 -0.093 0.000 1.000 893 V CB 1.498 33.278 31.823 -0.072 0.000 1.066 893 V HN 0.613 nan 8.190 nan 0.000 0.452 894 V N 1.256 121.127 119.914 -0.072 0.000 2.495 894 V HA 0.778 4.786 4.120 -0.186 0.000 0.298 894 V C -0.598 175.439 176.094 -0.094 0.000 1.031 894 V CA -0.621 61.637 62.300 -0.070 0.000 0.871 894 V CB 1.003 32.787 31.823 -0.064 0.000 0.988 894 V HN 0.872 nan 8.190 nan 0.000 0.432 895 L N 5.579 126.728 121.223 -0.123 0.000 2.334 895 L HA 0.638 4.866 4.340 -0.186 0.000 0.276 895 L C -1.650 175.046 176.870 -0.290 0.000 1.014 895 L CA -1.494 53.183 54.840 -0.273 0.000 0.815 895 L CB 2.624 44.425 42.059 -0.430 0.000 1.268 895 L HN 0.453 nan 8.230 nan 0.000 0.428 896 P HA 0.030 nan 4.420 nan 0.000 0.249 896 P C 1.155 178.318 177.300 -0.227 0.000 1.241 896 P CA 0.256 63.183 63.100 -0.289 0.000 0.781 896 P CB -0.017 31.536 31.700 -0.246 0.000 1.088 897 F N 2.399 122.389 119.950 0.066 0.000 2.115 897 F HA -0.231 4.171 4.527 -0.207 0.000 0.300 897 F C 2.137 177.936 175.800 -0.003 0.000 1.092 897 F CA 1.578 59.638 58.000 0.101 0.000 1.245 897 F CB -1.961 37.129 39.000 0.150 0.000 0.995 897 F HN 0.137 nan 8.300 nan 0.000 0.481 898 N N 0.445 119.191 118.700 0.076 0.000 2.520 898 N HA -0.156 4.473 4.740 -0.186 0.000 0.185 898 N C 1.148 176.555 175.510 -0.171 0.000 1.068 898 N CA 0.889 53.927 53.050 -0.020 0.000 0.911 898 N CB -0.337 38.135 38.487 -0.024 0.000 0.961 898 N HN 0.208 nan 8.380 nan 0.000 0.446 899 K N -0.129 120.036 120.400 -0.392 0.000 2.314 899 K HA 0.111 4.319 4.320 -0.186 0.000 0.198 899 K C -0.296 175.799 176.600 -0.843 0.000 1.045 899 K CA 0.289 56.128 56.287 -0.747 0.000 0.988 899 K CB 0.106 31.856 32.500 -1.250 0.000 0.783 899 K HN 0.232 nan 8.250 nan 0.000 0.484 900 F N 1.113 121.040 119.950 -0.037 0.000 2.622 900 F HA 0.288 4.729 4.527 -0.143 0.000 0.338 900 F C -1.877 173.972 175.800 0.082 0.000 1.334 900 F CA -2.586 55.429 58.000 0.025 0.000 1.179 900 F CB 1.299 40.302 39.000 0.005 0.000 1.471 900 F HN -0.155 nan 8.300 nan 0.000 0.576 901 P HA -0.131 nan 4.420 nan 0.000 0.220 901 P C 1.759 179.129 177.300 0.117 0.000 1.144 901 P CA 1.271 64.438 63.100 0.112 0.000 0.800 901 P CB 0.236 31.959 31.700 0.039 0.000 0.772 902 G N -0.659 108.230 108.800 0.148 0.000 2.598 902 G HA2 0.025 3.873 3.960 -0.186 0.000 0.215 902 G HA3 0.025 3.873 3.960 -0.186 0.000 0.215 902 G C 0.494 175.467 174.900 0.122 0.000 1.131 902 G CA 0.066 45.233 45.100 0.112 0.000 0.785 902 G HN 0.202 nan 8.290 nan 0.000 0.539 903 V N 0.300 120.327 119.914 0.189 0.000 2.863 903 V HA 0.255 4.263 4.120 -0.186 0.000 0.307 903 V C -0.283 175.848 176.094 0.063 0.000 1.061 903 V CA -1.097 61.314 62.300 0.184 0.000 1.024 903 V CB 1.879 33.927 31.823 0.375 0.000 1.049 903 V HN 0.069 nan 8.190 nan 0.000 0.471 904 D N 3.866 124.256 120.400 -0.017 0.000 2.365 904 D HA 0.242 4.770 4.640 -0.186 0.000 0.237 904 D C -2.173 173.878 176.300 -0.416 0.000 1.190 904 D CA -2.100 51.810 54.000 -0.149 0.000 0.867 904 D CB 1.254 41.993 40.800 -0.101 0.000 1.050 904 D HN 0.279 nan 8.370 nan 0.000 0.491 905 P HA 0.126 nan 4.420 nan 0.000 0.235 905 P C -0.821 176.018 177.300 -0.769 0.000 1.765 905 P CA -0.365 61.927 63.100 -1.347 0.000 1.034 905 P CB -0.211 31.205 31.700 -0.473 0.000 1.984 906 L N 1.911 122.769 121.223 -0.609 0.000 2.408 906 L HA 0.395 4.623 4.340 -0.186 0.000 0.268 906 L C -0.652 176.240 176.870 0.036 0.000 0.986 906 L CA -1.199 53.552 54.840 -0.149 0.000 0.820 906 L CB 1.766 43.757 42.059 -0.113 0.000 1.303 906 L HN -0.037 nan 8.230 nan 0.000 0.411 907 L N 4.217 125.512 121.223 0.120 0.000 2.461 907 L HA 0.659 4.888 4.340 -0.186 0.000 0.272 907 L C 0.811 177.748 176.870 0.111 0.000 1.197 907 L CA 0.481 55.417 54.840 0.161 0.000 0.836 907 L CB 0.328 42.483 42.059 0.160 0.000 1.105 907 L HN 0.854 nan 8.230 nan 0.000 0.477 908 G N 1.447 110.316 108.800 0.116 0.000 2.706 908 G HA2 0.402 4.250 3.960 -0.186 0.000 0.307 908 G HA3 0.402 4.250 3.960 -0.186 0.000 0.307 908 G C -2.664 172.290 174.900 0.091 0.000 1.307 908 G CA -0.377 44.766 45.100 0.071 0.000 0.790 908 G HN 0.301 nan 8.290 nan 0.000 0.503 909 P HA 0.104 nan 4.420 nan 0.000 0.236 909 P C 0.251 177.630 177.300 0.132 0.000 1.177 909 P CA 0.781 63.929 63.100 0.080 0.000 0.773 909 P CB 0.493 32.183 31.700 -0.015 0.000 0.878 910 E N -0.189 120.037 120.200 0.042 0.000 2.191 910 E HA 0.358 4.596 4.350 -0.186 0.000 0.274 910 E C -0.718 175.785 176.600 -0.162 0.000 0.948 910 E CA -0.938 55.422 56.400 -0.067 0.000 0.802 910 E CB 1.043 30.687 29.700 -0.093 0.000 1.137 910 E HN -0.146 nan 8.360 nan 0.000 0.397 911 M N 3.957 123.278 119.600 -0.465 0.000 2.185 911 M HA 0.219 4.588 4.480 -0.186 0.000 0.357 911 M C 0.072 176.230 176.300 -0.237 0.000 1.260 911 M CA 0.138 55.181 55.300 -0.428 0.000 1.124 911 M CB 0.487 32.632 32.600 -0.759 0.000 1.600 911 M HN 0.548 nan 8.290 nan 0.000 0.467 912 R N 0.979 121.406 120.500 -0.122 0.000 2.544 912 R HA 0.162 4.390 4.340 -0.186 0.000 0.303 912 R C 0.109 176.404 176.300 -0.008 0.000 0.939 912 R CA 0.074 56.129 56.100 -0.076 0.000 1.102 912 R CB 0.669 30.956 30.300 -0.022 0.000 1.440 912 R HN 0.806 nan 8.270 nan 0.000 0.532 913 S N -0.647 115.019 115.700 -0.056 0.000 2.579 913 S HA 0.047 4.405 4.470 -0.186 0.000 0.275 913 S C 1.158 175.741 174.600 -0.029 0.000 1.345 913 S CA 0.256 58.418 58.200 -0.063 0.000 1.031 913 S CB 1.503 64.668 63.200 -0.059 0.000 0.892 913 S HN 0.293 nan 8.310 nan 0.000 0.529 914 T N -0.140 114.391 114.554 -0.039 0.000 3.042 914 T HA 0.489 4.727 4.350 -0.186 0.000 0.245 914 T C 0.888 175.571 174.700 -0.028 0.000 1.029 914 T CA 0.261 62.348 62.100 -0.021 0.000 1.120 914 T CB -0.323 68.526 68.868 -0.031 0.000 0.917 914 T HN 1.038 nan 8.240 nan 0.000 0.467 915 G N 0.608 109.381 108.800 -0.046 0.000 2.921 915 G HA2 0.652 4.501 3.960 -0.186 0.000 0.291 915 G HA3 0.652 4.501 3.960 -0.186 0.000 0.291 915 G C -1.971 172.885 174.900 -0.072 0.000 1.370 915 G CA -0.905 44.164 45.100 -0.051 0.000 0.847 915 G HN 0.565 nan 8.290 nan 0.000 0.532 916 E N -1.977 118.176 120.200 -0.079 0.000 2.412 916 E HA 0.619 4.858 4.350 -0.186 0.000 0.279 916 E C -1.147 175.398 176.600 -0.092 0.000 0.984 916 E CA -1.013 55.324 56.400 -0.106 0.000 0.788 916 E CB 2.243 31.856 29.700 -0.145 0.000 1.277 916 E HN 0.966 nan 8.360 nan 0.000 0.455 917 V N -0.942 118.906 119.914 -0.110 0.000 3.113 917 V HA 0.775 4.784 4.120 -0.186 0.000 0.316 917 V C -0.494 175.548 176.094 -0.087 0.000 1.125 917 V CA -1.053 61.196 62.300 -0.086 0.000 1.026 917 V CB 1.832 33.601 31.823 -0.089 0.000 1.080 917 V HN 0.931 nan 8.190 nan 0.000 0.444 918 M N 2.026 121.613 119.600 -0.023 0.000 2.393 918 M HA 0.827 5.195 4.480 -0.186 0.000 0.299 918 M C -0.459 175.857 176.300 0.026 0.000 1.103 918 M CA -0.262 55.079 55.300 0.069 0.000 0.910 918 M CB 2.019 34.767 32.600 0.248 0.000 1.659 918 M HN 1.158 nan 8.290 nan 0.000 0.445 919 G N 3.017 111.838 108.800 0.036 0.000 2.530 919 G HA2 0.650 4.498 3.960 -0.186 0.000 0.316 919 G HA3 0.650 4.498 3.960 -0.186 0.000 0.316 919 G C -1.759 173.167 174.900 0.042 0.000 1.298 919 G CA -0.483 44.602 45.100 -0.024 0.000 0.948 919 G HN 0.595 nan 8.290 nan 0.000 0.486 920 V N 1.389 121.308 119.914 0.008 0.000 2.444 920 V HA 0.888 4.896 4.120 -0.186 0.000 0.294 920 V C 0.557 176.676 176.094 0.042 0.000 1.022 920 V CA -0.193 62.122 62.300 0.024 0.000 0.850 920 V CB 1.261 33.022 31.823 -0.102 0.000 0.992 920 V HN 1.089 nan 8.190 nan 0.000 0.426 921 G N 3.231 112.118 108.800 0.145 0.000 2.672 921 G HA2 0.532 4.381 3.960 -0.186 0.000 0.292 921 G HA3 0.532 4.381 3.960 -0.186 0.000 0.292 921 G C 0.010 175.065 174.900 0.258 0.000 1.375 921 G CA -0.761 44.423 45.100 0.141 0.000 0.890 921 G HN 0.537 nan 8.290 nan 0.000 0.476 922 R N -1.011 119.608 120.500 0.199 0.000 2.115 922 R HA 0.059 4.287 4.340 -0.186 0.000 0.230 922 R C 1.405 177.912 176.300 0.346 0.000 1.111 922 R CA 1.648 57.884 56.100 0.227 0.000 0.976 922 R CB -0.114 30.273 30.300 0.144 0.000 0.870 922 R HN 0.633 nan 8.270 nan 0.000 0.445 923 T N -4.043 110.688 114.554 0.295 0.000 2.924 923 T HA 0.192 4.431 4.350 -0.186 0.000 0.291 923 T C 0.559 175.273 174.700 0.024 0.000 1.045 923 T CA -0.935 61.334 62.100 0.281 0.000 1.015 923 T CB 1.536 70.486 68.868 0.137 0.000 1.103 923 T HN 0.059 nan 8.240 nan 0.000 0.496 924 F N 2.028 121.575 119.950 -0.670 0.000 2.120 924 F HA -0.005 4.409 4.527 -0.188 0.000 0.300 924 F C 2.479 178.147 175.800 -0.221 0.000 1.095 924 F CA 2.139 59.675 58.000 -0.774 0.000 1.249 924 F CB -0.890 37.633 39.000 -0.794 0.000 0.995 924 F HN 0.764 nan 8.300 nan 0.000 0.480 925 A N -0.272 122.448 122.820 -0.167 0.000 1.978 925 A HA -0.238 3.970 4.320 -0.186 0.000 0.220 925 A C 2.260 179.746 177.584 -0.163 0.000 1.170 925 A CA 1.883 53.826 52.037 -0.157 0.000 0.636 925 A CB -0.966 18.058 19.000 0.039 0.000 0.810 925 A HN 0.630 nan 8.150 nan 0.000 0.448 926 E N -0.393 119.744 120.200 -0.106 0.000 2.028 926 E HA -0.063 4.176 4.350 -0.186 0.000 0.190 926 E C 2.320 178.858 176.600 -0.103 0.000 0.984 926 E CA 0.810 57.172 56.400 -0.062 0.000 0.800 926 E CB -0.232 29.474 29.700 0.009 0.000 0.758 926 E HN 0.542 nan 8.360 nan 0.000 0.448 927 A N 0.897 123.652 122.820 -0.108 0.000 1.873 927 A HA -0.238 3.970 4.320 -0.186 0.000 0.218 927 A C 2.031 179.490 177.584 -0.209 0.000 1.193 927 A CA 1.615 53.599 52.037 -0.089 0.000 0.629 927 A CB -1.066 17.954 19.000 0.034 0.000 0.826 927 A HN 0.477 nan 8.150 nan 0.000 0.447 928 F N 0.770 120.398 119.950 -0.537 0.000 2.161 928 F HA -0.116 4.298 4.527 -0.188 0.000 0.300 928 F C 2.518 178.127 175.800 -0.317 0.000 1.089 928 F CA 1.296 58.973 58.000 -0.538 0.000 1.282 928 F CB -0.302 38.152 39.000 -0.911 0.000 1.010 928 F HN 0.248 nan 8.300 nan 0.000 0.485 929 A N -0.313 122.386 122.820 -0.202 0.000 1.968 929 A HA -0.145 4.064 4.320 -0.186 0.000 0.217 929 A C 2.187 179.613 177.584 -0.263 0.000 1.169 929 A CA 1.538 53.454 52.037 -0.201 0.000 0.638 929 A CB -0.525 18.413 19.000 -0.103 0.000 0.812 929 A HN 0.421 nan 8.150 nan 0.000 0.446 930 K N -0.141 120.123 120.400 -0.227 0.000 2.025 930 K HA -0.003 4.205 4.320 -0.186 0.000 0.207 930 K C 2.278 178.739 176.600 -0.232 0.000 1.049 930 K CA 1.175 57.350 56.287 -0.187 0.000 0.933 930 K CB -0.325 32.104 32.500 -0.120 0.000 0.714 930 K HN 0.401 nan 8.250 nan 0.000 0.438 931 A N 1.114 123.745 122.820 -0.315 0.000 1.972 931 A HA -0.256 3.952 4.320 -0.186 0.000 0.219 931 A C 2.117 179.455 177.584 -0.410 0.000 1.169 931 A CA 1.591 53.421 52.037 -0.345 0.000 0.635 931 A CB -0.474 18.283 19.000 -0.406 0.000 0.810 931 A HN 0.388 nan 8.150 nan 0.000 0.446 932 Q N -1.075 118.391 119.800 -0.557 0.000 2.083 932 Q HA -0.108 4.120 4.340 -0.186 0.000 0.198 932 Q C 1.970 177.813 176.000 -0.261 0.000 0.969 932 Q CA 1.456 56.984 55.803 -0.458 0.000 0.838 932 Q CB -0.198 28.207 28.738 -0.554 0.000 0.900 932 Q HN 0.522 nan 8.270 nan 0.000 0.436 933 L N 0.167 121.252 121.223 -0.231 0.000 2.093 933 L HA 0.043 4.272 4.340 -0.186 0.000 0.208 933 L C 2.088 178.900 176.870 -0.098 0.000 1.085 933 L CA 2.239 56.988 54.840 -0.152 0.000 0.755 933 L CB -0.867 41.090 42.059 -0.170 0.000 0.904 933 L HN 0.291 nan 8.230 nan 0.000 0.435 934 G N -1.504 107.223 108.800 -0.121 0.000 2.448 934 G HA2 -0.257 3.591 3.960 -0.186 0.000 0.219 934 G HA3 -0.257 3.591 3.960 -0.186 0.000 0.219 934 G C 1.479 176.335 174.900 -0.074 0.000 1.127 934 G CA 0.829 45.880 45.100 -0.082 0.000 0.766 934 G HN 0.565 nan 8.290 nan 0.000 0.552 935 S N -0.448 115.191 115.700 -0.102 0.000 2.701 935 S HA 0.053 4.412 4.470 -0.186 0.000 0.220 935 S C 1.066 175.641 174.600 -0.042 0.000 0.954 935 S CA 0.695 58.845 58.200 -0.082 0.000 0.936 935 S CB -0.627 62.509 63.200 -0.107 0.000 0.777 935 S HN 0.571 nan 8.310 nan 0.000 0.518 936 N N 0.231 118.916 118.700 -0.025 0.000 2.882 936 N HA -0.196 4.433 4.740 -0.186 0.000 0.249 936 N C -0.245 175.286 175.510 0.035 0.000 1.079 936 N CA 0.619 53.675 53.050 0.010 0.000 0.800 936 N CB -1.646 36.845 38.487 0.008 0.000 1.124 936 N HN 0.595 nan 8.380 nan 0.000 0.557 937 S N -0.135 115.577 115.700 0.019 0.000 2.562 937 S HA 0.193 4.551 4.470 -0.186 0.000 0.281 937 S C 1.545 176.186 174.600 0.069 0.000 1.333 937 S CA 0.754 58.998 58.200 0.073 0.000 1.052 937 S CB 1.173 64.357 63.200 -0.027 0.000 0.884 937 S HN 0.307 nan 8.310 nan 0.000 0.506 938 T N 2.638 117.282 114.554 0.151 0.000 3.122 938 T HA 0.210 4.449 4.350 -0.186 0.000 0.250 938 T C 0.585 175.367 174.700 0.137 0.000 1.067 938 T CA -0.442 61.745 62.100 0.145 0.000 0.966 938 T CB -0.326 68.646 68.868 0.173 0.000 1.002 938 T HN 0.559 nan 8.240 nan 0.000 0.542 939 M N 3.502 123.133 119.600 0.052 0.000 2.290 939 M HA 0.190 4.558 4.480 -0.186 0.000 0.356 939 M C -0.168 176.127 176.300 -0.009 0.000 1.448 939 M CA -0.448 54.837 55.300 -0.025 0.000 0.993 939 M CB -0.040 32.317 32.600 -0.404 0.000 1.934 939 M HN 0.065 nan 8.290 nan 0.000 0.461 940 K N 4.749 125.169 120.400 0.032 0.000 2.168 940 K HA 0.316 4.524 4.320 -0.186 0.000 0.239 940 K C 0.080 176.679 176.600 -0.003 0.000 0.999 940 K CA -0.716 55.531 56.287 -0.066 0.000 0.900 940 K CB 1.019 33.313 32.500 -0.343 0.000 1.111 940 K HN 0.606 nan 8.250 nan 0.000 0.452 941 K N 0.666 121.039 120.400 -0.046 0.000 2.374 941 K HA 0.029 4.238 4.320 -0.186 0.000 0.196 941 K C 0.503 177.004 176.600 -0.164 0.000 1.023 941 K CA 0.241 56.554 56.287 0.044 0.000 1.103 941 K CB 0.237 32.777 32.500 0.066 0.000 0.848 941 K HN 0.602 nan 8.250 nan 0.000 0.528 942 H N -2.180 116.655 119.070 -0.392 0.000 2.931 942 H HA 0.626 5.070 4.556 -0.185 0.000 0.331 942 H C 0.342 175.201 175.328 -0.782 0.000 1.273 942 H CA -0.254 55.366 56.048 -0.714 0.000 1.171 942 H CB 1.143 30.728 29.762 -0.296 0.000 1.898 942 H HN 0.096 nan 8.280 nan 0.000 0.562 943 G N 0.492 109.048 108.800 -0.408 0.000 2.482 943 G HA2 -0.177 3.671 3.960 -0.186 0.000 0.214 943 G HA3 -0.177 3.671 3.960 -0.186 0.000 0.214 943 G C -0.867 174.078 174.900 0.074 0.000 1.271 943 G CA -0.236 44.821 45.100 -0.071 0.000 0.944 943 G HN 0.838 nan 8.290 nan 0.000 0.568 944 R N 0.505 121.181 120.500 0.294 0.000 2.346 944 R HA 0.662 4.890 4.340 -0.186 0.000 0.311 944 R C 0.311 176.967 176.300 0.592 0.000 0.983 944 R CA 0.152 56.509 56.100 0.427 0.000 0.880 944 R CB 0.975 31.436 30.300 0.268 0.000 1.100 944 R HN 1.287 nan 8.270 nan 0.000 0.453 945 A N 4.109 127.213 122.820 0.474 0.000 2.306 945 A HA 0.513 4.721 4.320 -0.186 0.000 0.330 945 A C -1.369 176.227 177.584 0.019 0.000 1.146 945 A CA -0.719 51.449 52.037 0.219 0.000 0.827 945 A CB 1.249 20.306 19.000 0.097 0.000 1.178 945 A HN 0.595 nan 8.150 nan 0.000 0.490 946 L N 2.117 123.154 121.223 -0.310 0.000 2.325 946 L HA 0.692 4.921 4.340 -0.186 0.000 0.281 946 L C -1.666 175.003 176.870 -0.335 0.000 1.004 946 L CA -0.342 54.230 54.840 -0.447 0.000 0.823 946 L CB 1.216 42.666 42.059 -1.014 0.000 1.236 946 L HN 0.460 nan 8.230 nan 0.000 0.415 947 L N 4.561 125.666 121.223 -0.198 0.000 2.298 947 L HA 0.646 4.874 4.340 -0.186 0.000 0.284 947 L C 0.174 176.966 176.870 -0.131 0.000 1.013 947 L CA -0.060 54.684 54.840 -0.161 0.000 0.824 947 L CB 1.503 43.502 42.059 -0.100 0.000 1.221 947 L HN 0.653 nan 8.230 nan 0.000 0.418 948 S N 3.251 118.868 115.700 -0.138 0.000 2.383 948 S HA 0.645 5.003 4.470 -0.186 0.000 0.196 948 S C -0.629 173.920 174.600 -0.085 0.000 1.364 948 S CA -0.545 57.593 58.200 -0.102 0.000 1.212 948 S CB 0.325 63.456 63.200 -0.115 0.000 1.171 948 S HN 0.440 nan 8.310 nan 0.000 0.456 949 V N 2.769 122.647 119.914 -0.060 0.000 2.994 949 V HA 0.829 4.837 4.120 -0.186 0.000 0.318 949 V C -0.077 175.998 176.094 -0.031 0.000 1.085 949 V CA -1.472 60.801 62.300 -0.046 0.000 0.998 949 V CB 1.274 33.075 31.823 -0.037 0.000 1.063 949 V HN 0.820 nan 8.190 nan 0.000 0.447 950 R N 0.480 120.964 120.500 -0.028 0.000 2.707 950 R HA 0.422 4.650 4.340 -0.186 0.000 0.270 950 R C 1.027 177.319 176.300 -0.014 0.000 1.083 950 R CA -0.083 56.000 56.100 -0.030 0.000 1.182 950 R CB 0.132 30.406 30.300 -0.044 0.000 1.084 950 R HN 0.773 nan 8.270 nan 0.000 0.528 951 E N 1.508 121.697 120.200 -0.019 0.000 2.068 951 E HA -0.188 4.050 4.350 -0.186 0.000 0.207 951 E C 1.890 178.498 176.600 0.013 0.000 1.032 951 E CA 2.503 58.901 56.400 -0.005 0.000 0.839 951 E CB -0.875 28.817 29.700 -0.013 0.000 0.758 951 E HN 0.868 nan 8.360 nan 0.000 0.457 952 G N -0.699 108.113 108.800 0.020 0.000 2.708 952 G HA2 -0.177 3.671 3.960 -0.186 0.000 0.210 952 G HA3 -0.177 3.671 3.960 -0.186 0.000 0.210 952 G C 0.736 175.666 174.900 0.049 0.000 1.141 952 G CA 0.868 45.993 45.100 0.042 0.000 0.788 952 G HN 0.188 nan 8.290 nan 0.000 0.531 953 D N -0.541 119.882 120.400 0.039 0.000 2.441 953 D HA 0.117 4.645 4.640 -0.186 0.000 0.210 953 D C 2.125 178.449 176.300 0.041 0.000 1.102 953 D CA -0.008 54.020 54.000 0.048 0.000 0.840 953 D CB 0.245 41.065 40.800 0.034 0.000 0.990 953 D HN 0.188 nan 8.370 nan 0.000 0.505 954 K N 0.779 121.196 120.400 0.029 0.000 2.103 954 K HA -0.142 4.066 4.320 -0.186 0.000 0.207 954 K C 1.794 178.415 176.600 0.034 0.000 1.048 954 K CA 0.931 57.232 56.287 0.024 0.000 0.930 954 K CB 0.245 32.755 32.500 0.018 0.000 0.716 954 K HN 0.179 nan 8.250 nan 0.000 0.444 955 E N 0.549 120.774 120.200 0.042 0.000 2.001 955 E HA -0.173 4.065 4.350 -0.186 0.000 0.195 955 E C 2.123 178.765 176.600 0.070 0.000 1.002 955 E CA 1.230 57.658 56.400 0.047 0.000 0.819 955 E CB 0.051 29.778 29.700 0.044 0.000 0.769 955 E HN 0.214 nan 8.360 nan 0.000 0.454 956 R N 0.339 120.897 120.500 0.098 0.000 2.117 956 R HA -0.136 4.092 4.340 -0.186 0.000 0.243 956 R C 2.450 178.871 176.300 0.202 0.000 1.143 956 R CA 1.021 57.227 56.100 0.177 0.000 0.968 956 R CB -0.622 29.822 30.300 0.240 0.000 0.863 956 R HN 0.134 nan 8.270 nan 0.000 0.444 957 V N 1.072 121.042 119.914 0.094 0.000 2.527 957 V HA -0.245 3.763 4.120 -0.186 0.000 0.255 957 V C 2.034 178.148 176.094 0.033 0.000 1.081 957 V CA 1.736 64.046 62.300 0.016 0.000 1.092 957 V CB -0.151 31.665 31.823 -0.012 0.000 0.673 957 V HN 0.141 nan 8.190 nan 0.000 0.470 958 V N 0.310 120.266 119.914 0.071 0.000 2.255 958 V HA -0.263 3.745 4.120 -0.186 0.000 0.247 958 V C 2.404 178.557 176.094 0.098 0.000 1.051 958 V CA 2.554 64.894 62.300 0.067 0.000 1.018 958 V CB -0.914 30.944 31.823 0.059 0.000 0.641 958 V HN 0.691 nan 8.190 nan 0.000 0.445 959 D N -0.148 120.355 120.400 0.171 0.000 2.104 959 D HA -0.184 4.345 4.640 -0.186 0.000 0.194 959 D C 1.973 178.432 176.300 0.264 0.000 0.994 959 D CA 1.349 55.487 54.000 0.229 0.000 0.830 959 D CB -0.259 40.708 40.800 0.277 0.000 0.959 959 D HN 0.248 nan 8.370 nan 0.000 0.452 960 L N 0.717 122.064 121.223 0.207 0.000 2.013 960 L HA -0.112 4.117 4.340 -0.186 0.000 0.212 960 L C 2.239 179.080 176.870 -0.048 0.000 1.073 960 L CA 2.407 57.168 54.840 -0.132 0.000 0.753 960 L CB -1.236 40.462 42.059 -0.602 0.000 0.890 960 L HN 0.088 nan 8.230 nan 0.000 0.432 961 A N -0.717 122.093 122.820 -0.018 0.000 1.940 961 A HA -0.124 4.084 4.320 -0.186 0.000 0.219 961 A C 2.454 180.064 177.584 0.044 0.000 1.176 961 A CA 1.958 54.000 52.037 0.008 0.000 0.631 961 A CB -1.170 17.839 19.000 0.015 0.000 0.814 961 A HN 0.606 nan 8.150 nan 0.000 0.446 962 A N -0.197 122.660 122.820 0.062 0.000 1.902 962 A HA -0.186 4.022 4.320 -0.186 0.000 0.217 962 A C 2.111 179.743 177.584 0.081 0.000 1.181 962 A CA 1.923 54.004 52.037 0.073 0.000 0.623 962 A CB -0.446 18.602 19.000 0.081 0.000 0.818 962 A HN 0.551 nan 8.150 nan 0.000 0.443 963 K N -0.530 119.924 120.400 0.089 0.000 2.057 963 K HA -0.045 4.164 4.320 -0.186 0.000 0.207 963 K C 1.733 178.380 176.600 0.077 0.000 1.049 963 K CA 1.464 57.804 56.287 0.088 0.000 0.931 963 K CB -0.358 32.207 32.500 0.108 0.000 0.714 963 K HN 0.467 nan 8.250 nan 0.000 0.440 964 L N 0.697 121.949 121.223 0.048 0.000 2.291 964 L HA -0.114 4.114 4.340 -0.186 0.000 0.214 964 L C 2.117 179.122 176.870 0.225 0.000 1.120 964 L CA 0.642 55.533 54.840 0.085 0.000 0.799 964 L CB -0.212 41.814 42.059 -0.054 0.000 0.925 964 L HN 0.152 nan 8.230 nan 0.000 0.446 965 L N -0.460 120.853 121.223 0.149 0.000 2.072 965 L HA -0.163 4.065 4.340 -0.186 0.000 0.205 965 L C 2.680 179.626 176.870 0.126 0.000 1.079 965 L CA 1.080 56.005 54.840 0.142 0.000 0.752 965 L CB -0.352 41.765 42.059 0.097 0.000 0.906 965 L HN 0.202 nan 8.230 nan 0.000 0.436 966 K N -0.325 120.142 120.400 0.110 0.000 2.209 966 K HA -0.190 4.019 4.320 -0.186 0.000 0.204 966 K C 1.884 178.544 176.600 0.100 0.000 1.048 966 K CA 1.031 57.372 56.287 0.091 0.000 0.940 966 K CB 0.162 32.710 32.500 0.080 0.000 0.729 966 K HN 0.263 nan 8.250 nan 0.000 0.451 967 Q N -0.748 119.142 119.800 0.151 0.000 2.403 967 Q HA 0.015 4.244 4.340 -0.186 0.000 0.203 967 Q C 0.629 176.696 176.000 0.112 0.000 0.932 967 Q CA 0.740 56.643 55.803 0.167 0.000 0.945 967 Q CB 0.898 29.799 28.738 0.271 0.000 1.045 967 Q HN 0.580 nan 8.270 nan 0.000 0.511 968 G N 0.537 109.403 108.800 0.110 0.000 2.132 968 G HA2 -0.253 3.595 3.960 -0.186 0.000 0.234 968 G HA3 -0.253 3.595 3.960 -0.186 0.000 0.234 968 G C -0.191 174.715 174.900 0.010 0.000 0.989 968 G CA -0.250 44.871 45.100 0.036 0.000 0.676 968 G HN 0.247 nan 8.290 nan 0.000 0.522 969 F N 1.201 121.189 119.950 0.062 0.000 2.429 969 F HA 0.522 4.938 4.527 -0.185 0.000 0.348 969 F C 1.117 176.964 175.800 0.078 0.000 1.109 969 F CA -0.111 57.936 58.000 0.079 0.000 1.232 969 F CB 0.792 39.844 39.000 0.087 0.000 1.157 969 F HN 0.127 nan 8.300 nan 0.000 0.564 970 E N 2.470 122.826 120.200 0.261 0.000 2.319 970 E HA 0.529 4.767 4.350 -0.186 0.000 0.268 970 E C -1.037 175.696 176.600 0.221 0.000 1.050 970 E CA -0.530 55.981 56.400 0.186 0.000 0.878 970 E CB 1.070 30.845 29.700 0.125 0.000 1.066 970 E HN 0.405 nan 8.360 nan 0.000 0.406 971 L N 1.705 123.022 121.223 0.156 0.000 2.341 971 L HA 0.566 4.794 4.340 -0.186 0.000 0.267 971 L C -0.779 176.166 176.870 0.124 0.000 1.009 971 L CA -1.004 53.922 54.840 0.143 0.000 0.819 971 L CB 1.758 43.875 42.059 0.097 0.000 1.323 971 L HN 0.403 nan 8.230 nan 0.000 0.425 972 D N 0.745 121.218 120.400 0.123 0.000 2.671 972 D HA 0.834 5.362 4.640 -0.186 0.000 0.232 972 D C -1.130 175.188 176.300 0.029 0.000 1.114 972 D CA -0.112 53.955 54.000 0.112 0.000 0.858 972 D CB 2.478 43.422 40.800 0.239 0.000 1.544 972 D HN 0.734 nan 8.370 nan 0.000 0.471 973 A N 0.453 123.283 122.820 0.016 0.000 2.604 973 A HA 0.686 4.894 4.320 -0.186 0.000 0.295 973 A C -0.283 177.297 177.584 -0.007 0.000 1.067 973 A CA -0.823 51.203 52.037 -0.018 0.000 0.683 973 A CB 0.994 19.981 19.000 -0.021 0.000 1.281 973 A HN 0.451 nan 8.150 nan 0.000 0.407 974 T N -1.050 113.495 114.554 -0.014 0.000 2.828 974 T HA 0.360 4.598 4.350 -0.186 0.000 0.290 974 T C 1.155 175.887 174.700 0.053 0.000 1.019 974 T CA 0.724 62.835 62.100 0.019 0.000 1.031 974 T CB 0.478 69.348 68.868 0.004 0.000 1.001 974 T HN 0.839 nan 8.240 nan 0.000 0.531 975 H N 1.907 120.973 119.070 -0.008 0.000 2.314 975 H HA -0.208 4.236 4.556 -0.186 0.000 0.288 975 H C 2.413 177.741 175.328 -0.000 0.000 1.091 975 H CA 2.926 58.974 56.048 0.001 0.000 1.155 975 H CB -0.909 28.858 29.762 0.009 0.000 1.362 975 H HN 0.824 nan 8.280 nan 0.000 0.530 976 G N -1.968 106.973 108.800 0.235 0.000 2.442 976 G HA2 -0.270 3.579 3.960 -0.186 0.000 0.219 976 G HA3 -0.270 3.579 3.960 -0.186 0.000 0.219 976 G C 1.719 176.643 174.900 0.040 0.000 1.141 976 G CA 1.325 46.510 45.100 0.141 0.000 0.763 976 G HN 0.501 nan 8.290 nan 0.000 0.554 977 T N 1.282 115.848 114.554 0.020 0.000 2.904 977 T HA 0.135 4.373 4.350 -0.186 0.000 0.267 977 T C 2.780 177.468 174.700 -0.021 0.000 1.059 977 T CA 1.192 63.288 62.100 -0.006 0.000 1.137 977 T CB -0.201 68.656 68.868 -0.019 0.000 0.879 977 T HN 0.362 nan 8.240 nan 0.000 0.467 978 A N 1.400 124.197 122.820 -0.039 0.000 1.969 978 A HA 0.025 4.233 4.320 -0.186 0.000 0.218 978 A C 2.211 179.749 177.584 -0.077 0.000 1.169 978 A CA 0.772 52.773 52.037 -0.061 0.000 0.635 978 A CB -0.553 18.395 19.000 -0.088 0.000 0.810 978 A HN 0.366 nan 8.150 nan 0.000 0.445 979 I N -0.106 120.407 120.570 -0.095 0.000 2.127 979 I HA -0.199 3.859 4.170 -0.186 0.000 0.241 979 I C 2.507 178.605 176.117 -0.032 0.000 1.075 979 I CA 1.382 62.635 61.300 -0.078 0.000 1.334 979 I CB -1.117 36.849 38.000 -0.056 0.000 1.040 979 I HN 0.155 nan 8.210 nan 0.000 0.405 980 V N 1.063 120.969 119.914 -0.014 0.000 2.343 980 V HA -0.258 3.751 4.120 -0.186 0.000 0.247 980 V C 2.593 178.687 176.094 0.000 0.000 1.051 980 V CA 1.339 63.639 62.300 -0.001 0.000 1.036 980 V CB -0.462 31.366 31.823 0.008 0.000 0.654 980 V HN 0.327 nan 8.190 nan 0.000 0.451 981 L N 0.194 121.414 121.223 -0.005 0.000 1.989 981 L HA -0.126 4.102 4.340 -0.186 0.000 0.211 981 L C 2.711 179.581 176.870 0.001 0.000 1.071 981 L CA 2.017 56.858 54.840 0.001 0.000 0.749 981 L CB -1.372 40.686 42.059 -0.002 0.000 0.890 981 L HN 0.473 nan 8.230 nan 0.000 0.431 982 G N -0.688 108.105 108.800 -0.010 0.000 2.440 982 G HA2 -0.255 3.593 3.960 -0.186 0.000 0.218 982 G HA3 -0.255 3.593 3.960 -0.186 0.000 0.218 982 G C 1.404 176.301 174.900 -0.004 0.000 1.154 982 G CA 0.396 45.490 45.100 -0.010 0.000 0.767 982 G HN 0.299 nan 8.290 nan 0.000 0.552 983 E N 0.560 120.757 120.200 -0.004 0.000 2.331 983 E HA -0.053 4.185 4.350 -0.186 0.000 0.199 983 E C 2.310 178.914 176.600 0.007 0.000 1.008 983 E CA 0.838 57.239 56.400 0.002 0.000 0.843 983 E CB -0.065 29.637 29.700 0.004 0.000 0.761 983 E HN 0.439 nan 8.360 nan 0.000 0.507 984 A N -0.804 122.022 122.820 0.010 0.000 2.465 984 A HA 0.434 4.643 4.320 -0.186 0.000 0.255 984 A C 1.436 179.030 177.584 0.016 0.000 1.274 984 A CA 0.701 52.747 52.037 0.015 0.000 0.920 984 A CB 0.361 19.373 19.000 0.021 0.000 1.033 984 A HN 0.204 nan 8.150 nan 0.000 0.516 985 G N -0.634 108.173 108.800 0.013 0.000 2.175 985 G HA2 -0.191 3.657 3.960 -0.186 0.000 0.244 985 G HA3 -0.191 3.657 3.960 -0.186 0.000 0.244 985 G C 0.032 174.942 174.900 0.017 0.000 0.982 985 G CA 0.191 45.299 45.100 0.014 0.000 0.641 985 G HN 0.463 nan 8.290 nan 0.000 0.527 986 I N 1.357 121.937 120.570 0.017 0.000 2.339 986 I HA 0.297 4.356 4.170 -0.186 0.000 0.290 986 I C -0.215 175.909 176.117 0.013 0.000 0.994 986 I CA -0.548 60.765 61.300 0.020 0.000 1.191 986 I CB 1.386 39.401 38.000 0.025 0.000 1.343 986 I HN 0.077 nan 8.210 nan 0.000 0.458 987 N N 8.241 126.951 118.700 0.016 0.000 2.707 987 N HA 0.335 4.963 4.740 -0.186 0.000 0.235 987 N C -2.391 173.130 175.510 0.019 0.000 1.028 987 N CA -1.298 51.758 53.050 0.010 0.000 0.906 987 N CB 1.078 39.570 38.487 0.009 0.000 1.131 987 N HN 0.381 nan 8.380 nan 0.000 0.509 988 P HA 0.127 nan 4.420 nan 0.000 0.277 988 P C -0.447 176.869 177.300 0.026 0.000 1.271 988 P CA -0.461 62.656 63.100 0.029 0.000 0.795 988 P CB 1.143 32.855 31.700 0.021 0.000 1.101 989 R N 0.678 121.204 120.500 0.043 0.000 2.340 989 R HA 0.318 4.546 4.340 -0.186 0.000 0.300 989 R C -0.366 175.956 176.300 0.036 0.000 1.069 989 R CA -0.712 55.412 56.100 0.040 0.000 0.984 989 R CB 0.020 30.351 30.300 0.052 0.000 1.003 989 R HN 0.383 nan 8.270 nan 0.000 0.459 990 L N 5.448 126.684 121.223 0.021 0.000 2.349 990 L HA 0.324 4.552 4.340 -0.186 0.000 0.275 990 L C -0.878 176.015 176.870 0.039 0.000 1.115 990 L CA 0.070 54.922 54.840 0.020 0.000 0.820 990 L CB 1.513 43.573 42.059 0.001 0.000 1.135 990 L HN 0.431 nan 8.230 nan 0.000 0.445 991 V N 5.750 125.692 119.914 0.048 0.000 2.769 991 V HA 0.507 4.515 4.120 -0.186 0.000 0.312 991 V C -0.298 175.824 176.094 0.046 0.000 1.061 991 V CA -0.693 61.642 62.300 0.059 0.000 0.931 991 V CB 2.154 34.036 31.823 0.098 0.000 1.010 991 V HN 0.988 nan 8.190 nan 0.000 0.433 992 N N 4.109 122.834 118.700 0.042 0.000 2.499 992 N HA 0.356 4.985 4.740 -0.186 0.000 0.281 992 N C -0.601 174.895 175.510 -0.023 0.000 1.098 992 N CA -0.600 52.460 53.050 0.018 0.000 0.979 992 N CB 1.053 39.559 38.487 0.031 0.000 1.121 992 N HN 0.623 nan 8.380 nan 0.000 0.466 993 K N 0.748 121.059 120.400 -0.150 0.000 2.187 993 K HA 0.066 4.275 4.320 -0.186 0.000 0.247 993 K C 0.968 177.337 176.600 -0.385 0.000 1.019 993 K CA -0.553 55.543 56.287 -0.319 0.000 0.893 993 K CB 0.631 32.793 32.500 -0.562 0.000 1.025 993 K HN 0.218 nan 8.250 nan 0.000 0.500 994 V N 1.300 120.942 119.914 -0.454 0.000 2.231 994 V HA -0.294 3.714 4.120 -0.186 0.000 0.248 994 V C 2.172 178.106 176.094 -0.266 0.000 1.054 994 V CA 2.362 64.377 62.300 -0.476 0.000 1.015 994 V CB -1.094 30.390 31.823 -0.564 0.000 0.638 994 V HN 0.846 nan 8.190 nan 0.000 0.444 995 H N 0.196 119.223 119.070 -0.071 0.000 2.518 995 H HA -0.060 4.383 4.556 -0.187 0.000 0.289 995 H C 1.826 177.157 175.328 0.004 0.000 1.051 995 H CA 1.476 57.507 56.048 -0.029 0.000 1.280 995 H CB -0.611 29.128 29.762 -0.038 0.000 1.380 995 H HN 0.528 nan 8.280 nan 0.000 0.566 996 E N 0.430 120.532 120.200 -0.164 0.000 2.427 996 E HA 0.219 4.457 4.350 -0.186 0.000 0.196 996 E C 0.807 177.427 176.600 0.034 0.000 1.028 996 E CA 0.331 56.732 56.400 0.002 0.000 0.864 996 E CB 0.332 30.002 29.700 -0.051 0.000 0.813 996 E HN 0.681 nan 8.360 nan 0.000 0.514 997 G N 0.384 109.217 108.800 0.055 0.000 2.302 997 G HA2 0.004 3.852 3.960 -0.186 0.000 0.276 997 G HA3 0.004 3.852 3.960 -0.186 0.000 0.276 997 G C -1.424 173.511 174.900 0.058 0.000 1.316 997 G CA -1.087 44.049 45.100 0.060 0.000 0.988 997 G HN 0.018 nan 8.290 nan 0.000 0.479 998 R N 0.052 120.550 120.500 -0.003 0.000 2.795 998 R HA 0.671 4.899 4.340 -0.186 0.000 0.275 998 R C -2.498 173.763 176.300 -0.066 0.000 0.981 998 R CA -1.413 54.641 56.100 -0.077 0.000 0.917 998 R CB 1.950 32.177 30.300 -0.121 0.000 1.202 998 R HN 0.482 nan 8.270 nan 0.000 0.469 999 P HA 0.224 nan 4.420 nan 0.000 0.281 999 P C -1.027 176.195 177.300 -0.130 0.000 1.264 999 P CA -0.540 62.427 63.100 -0.221 0.000 0.824 999 P CB 0.601 32.167 31.700 -0.224 0.000 1.092 1000 H N -0.807 118.246 119.070 -0.027 0.000 2.630 1000 H HA 0.309 4.753 4.556 -0.185 0.000 0.343 1000 H C 1.296 176.620 175.328 -0.007 0.000 1.232 1000 H CA -0.850 55.178 56.048 -0.033 0.000 1.294 1000 H CB 0.997 30.721 29.762 -0.064 0.000 1.746 1000 H HN 0.298 nan 8.280 nan 0.000 0.593 1001 I N -1.629 119.072 120.570 0.219 0.000 2.113 1001 I HA -0.382 3.676 4.170 -0.186 0.000 0.242 1001 I C 2.482 178.724 176.117 0.208 0.000 1.057 1001 I CA 1.855 63.258 61.300 0.171 0.000 1.314 1001 I CB -0.680 37.337 38.000 0.029 0.000 1.022 1001 I HN 0.561 nan 8.210 nan 0.000 0.408 1002 Q N 1.184 121.131 119.800 0.245 0.000 2.077 1002 Q HA -0.272 3.957 4.340 -0.186 0.000 0.206 1002 Q C 1.917 178.011 176.000 0.157 0.000 0.989 1002 Q CA 2.571 58.488 55.803 0.190 0.000 0.853 1002 Q CB -0.407 28.392 28.738 0.100 0.000 0.907 1002 Q HN 0.684 nan 8.270 nan 0.000 0.418 1003 D N -0.082 120.436 120.400 0.197 0.000 2.097 1003 D HA -0.150 4.379 4.640 -0.186 0.000 0.195 1003 D C 2.125 178.368 176.300 -0.095 0.000 0.989 1003 D CA 0.982 54.941 54.000 -0.067 0.000 0.827 1003 D CB -0.195 40.434 40.800 -0.285 0.000 0.966 1003 D HN 0.295 nan 8.370 nan 0.000 0.456 1004 R N 0.464 120.936 120.500 -0.046 0.000 2.080 1004 R HA -0.079 4.150 4.340 -0.186 0.000 0.236 1004 R C 2.678 178.888 176.300 -0.149 0.000 1.137 1004 R CA 0.767 56.794 56.100 -0.122 0.000 0.943 1004 R CB -0.488 29.759 30.300 -0.089 0.000 0.846 1004 R HN 0.249 nan 8.270 nan 0.000 0.431 1005 I N 1.339 121.938 120.570 0.049 0.000 2.091 1005 I HA -0.359 3.699 4.170 -0.186 0.000 0.239 1005 I C 2.735 178.700 176.117 -0.253 0.000 1.061 1005 I CA 1.590 62.936 61.300 0.078 0.000 1.317 1005 I CB -0.474 37.607 38.000 0.135 0.000 1.031 1005 I HN 0.212 nan 8.210 nan 0.000 0.401 1006 K N 1.558 121.685 120.400 -0.456 0.000 2.218 1006 K HA -0.211 3.997 4.320 -0.186 0.000 0.205 1006 K C 1.213 177.481 176.600 -0.553 0.000 1.046 1006 K CA 2.134 57.840 56.287 -0.968 0.000 0.933 1006 K CB -0.295 31.809 32.500 -0.660 0.000 0.728 1006 K HN 0.438 nan 8.250 nan 0.000 0.454 1007 N N -0.363 118.156 118.700 -0.301 0.000 2.383 1007 N HA 0.084 4.712 4.740 -0.186 0.000 0.192 1007 N C 0.323 175.741 175.510 -0.154 0.000 1.141 1007 N CA 0.481 53.414 53.050 -0.195 0.000 0.851 1007 N CB 0.814 39.208 38.487 -0.154 0.000 0.976 1007 N HN 0.410 nan 8.380 nan 0.000 0.465 1008 G N 0.947 109.655 108.800 -0.153 0.000 2.176 1008 G HA2 -0.293 3.556 3.960 -0.186 0.000 0.252 1008 G HA3 -0.293 3.556 3.960 -0.186 0.000 0.252 1008 G C 0.723 175.555 174.900 -0.114 0.000 1.024 1008 G CA 0.036 45.095 45.100 -0.068 0.000 0.755 1008 G HN 0.372 nan 8.290 nan 0.000 0.507 1009 E N -1.423 118.614 120.200 -0.272 0.000 2.268 1009 E HA -0.005 4.233 4.350 -0.186 0.000 0.195 1009 E C 0.327 176.572 176.600 -0.592 0.000 0.995 1009 E CA 0.966 57.063 56.400 -0.504 0.000 0.836 1009 E CB 0.134 29.375 29.700 -0.766 0.000 0.763 1009 E HN 0.696 nan 8.360 nan 0.000 0.491 1010 Y N -0.792 119.543 120.300 0.059 0.000 2.562 1010 Y HA 0.161 4.600 4.550 -0.185 0.000 0.343 1010 Y C 1.352 177.337 175.900 0.141 0.000 1.025 1010 Y CA -0.698 57.464 58.100 0.103 0.000 1.082 1010 Y CB 1.683 40.186 38.460 0.071 0.000 1.264 1010 Y HN -0.188 nan 8.280 nan 0.000 0.478 1011 T N -3.143 111.659 114.554 0.412 0.000 2.959 1011 T HA 0.240 4.478 4.350 -0.186 0.000 0.254 1011 T C -0.761 174.208 174.700 0.448 0.000 1.003 1011 T CA 0.066 62.371 62.100 0.341 0.000 0.950 1011 T CB 0.041 69.047 68.868 0.230 0.000 1.090 1011 T HN 0.460 nan 8.240 nan 0.000 0.503 1012 Y N 0.209 120.663 120.300 0.256 0.000 2.519 1012 Y HA 0.686 5.124 4.550 -0.187 0.000 0.336 1012 Y C -2.326 173.574 175.900 0.000 0.000 1.089 1012 Y CA -2.581 55.587 58.100 0.114 0.000 1.025 1012 Y CB 1.548 39.971 38.460 -0.062 0.000 1.318 1012 Y HN 0.129 nan 8.280 nan 0.000 0.452 1013 I N 6.471 126.472 120.570 -0.947 0.000 2.534 1013 I HA 0.391 4.449 4.170 -0.186 0.000 0.288 1013 I C -1.553 173.980 176.117 -0.973 0.000 1.077 1013 I CA -0.791 60.017 61.300 -0.820 0.000 1.051 1013 I CB 2.065 39.808 38.000 -0.428 0.000 1.234 1013 I HN 0.509 nan 8.210 nan 0.000 0.425 1014 I N 7.382 127.519 120.570 -0.721 0.000 2.355 1014 I HA 0.421 4.479 4.170 -0.186 0.000 0.288 1014 I C -0.911 175.060 176.117 -0.243 0.000 0.999 1014 I CA -0.256 60.801 61.300 -0.405 0.000 1.163 1014 I CB 0.902 38.745 38.000 -0.261 0.000 1.316 1014 I HN 0.584 nan 8.210 nan 0.000 0.454 1015 N N 5.667 124.275 118.700 -0.153 0.000 2.504 1015 N HA 0.385 5.013 4.740 -0.186 0.000 0.280 1015 N C -1.221 174.249 175.510 -0.067 0.000 1.052 1015 N CA -0.243 52.732 53.050 -0.125 0.000 0.887 1015 N CB 1.281 39.672 38.487 -0.160 0.000 1.323 1015 N HN 0.684 nan 8.380 nan 0.000 0.509 1016 T N 0.297 114.816 114.554 -0.058 0.000 2.918 1016 T HA 0.668 4.906 4.350 -0.186 0.000 0.286 1016 T C -0.431 174.243 174.700 -0.043 0.000 1.026 1016 T CA -0.352 61.731 62.100 -0.029 0.000 1.031 1016 T CB 1.947 70.814 68.868 -0.003 0.000 1.046 1016 T HN 0.267 nan 8.240 nan 0.000 0.479 1017 T N 1.497 116.028 114.554 -0.038 0.000 3.041 1017 T HA 0.602 4.841 4.350 -0.186 0.000 0.321 1017 T C -1.071 173.585 174.700 -0.073 0.000 1.184 1017 T CA -0.717 61.346 62.100 -0.061 0.000 1.050 1017 T CB 1.882 70.710 68.868 -0.067 0.000 1.159 1017 T HN 0.722 nan 8.240 nan 0.000 0.469 1018 S N 0.910 116.529 115.700 -0.135 0.000 2.538 1018 S HA 0.846 5.205 4.470 -0.186 0.000 0.288 1018 S C -0.082 174.312 174.600 -0.343 0.000 1.108 1018 S CA 0.329 58.382 58.200 -0.245 0.000 0.971 1018 S CB 1.359 64.340 63.200 -0.366 0.000 1.041 1018 S HN 1.562 nan 8.310 nan 0.000 0.483 1019 G N 2.995 111.597 108.800 -0.331 0.000 3.190 1019 G HA2 -0.119 3.729 3.960 -0.186 0.000 0.686 1019 G HA3 -0.119 3.729 3.960 -0.186 0.000 0.686 1019 G C 0.186 175.040 174.900 -0.077 0.000 1.033 1019 G CA -0.171 44.800 45.100 -0.215 0.000 0.797 1019 G HN 0.677 nan 8.290 nan 0.000 0.567 1020 R N 1.075 121.571 120.500 -0.006 0.000 2.159 1020 R HA -0.173 4.055 4.340 -0.186 0.000 0.249 1020 R C 2.689 178.978 176.300 -0.019 0.000 1.136 1020 R CA 2.623 58.724 56.100 0.001 0.000 0.951 1020 R CB -0.344 29.975 30.300 0.031 0.000 0.876 1020 R HN 0.585 nan 8.270 nan 0.000 0.440 1021 R N -0.212 120.272 120.500 -0.025 0.000 2.081 1021 R HA 0.019 4.248 4.340 -0.186 0.000 0.235 1021 R C 1.996 178.268 176.300 -0.047 0.000 1.131 1021 R CA 1.671 57.751 56.100 -0.033 0.000 0.960 1021 R CB -0.797 29.483 30.300 -0.034 0.000 0.856 1021 R HN 0.361 nan 8.270 nan 0.000 0.436 1022 A N 0.895 123.677 122.820 -0.064 0.000 1.883 1022 A HA -0.156 4.052 4.320 -0.186 0.000 0.217 1022 A C 2.397 179.945 177.584 -0.061 0.000 1.186 1022 A CA 1.478 53.473 52.037 -0.069 0.000 0.624 1022 A CB -0.581 18.362 19.000 -0.095 0.000 0.822 1022 A HN 0.288 nan 8.150 nan 0.000 0.444 1023 I N -0.275 120.257 120.570 -0.062 0.000 2.127 1023 I HA -0.314 3.744 4.170 -0.186 0.000 0.241 1023 I C 2.539 178.625 176.117 -0.052 0.000 1.075 1023 I CA 1.951 63.216 61.300 -0.057 0.000 1.334 1023 I CB -0.487 37.486 38.000 -0.046 0.000 1.040 1023 I HN 0.433 nan 8.210 nan 0.000 0.405 1024 E N 0.508 120.683 120.200 -0.041 0.000 2.130 1024 E HA -0.255 3.983 4.350 -0.186 0.000 0.196 1024 E C 1.652 178.229 176.600 -0.037 0.000 0.998 1024 E CA 1.479 57.858 56.400 -0.035 0.000 0.806 1024 E CB -0.178 29.507 29.700 -0.025 0.000 0.738 1024 E HN 0.519 nan 8.360 nan 0.000 0.459 1025 D N -0.009 120.368 120.400 -0.038 0.000 2.224 1025 D HA -0.064 4.464 4.640 -0.186 0.000 0.205 1025 D C 1.884 178.166 176.300 -0.030 0.000 0.965 1025 D CA 1.053 55.036 54.000 -0.029 0.000 0.852 1025 D CB -0.045 40.739 40.800 -0.027 0.000 0.947 1025 D HN 0.112 nan 8.370 nan 0.000 0.494 1026 S N 0.045 115.717 115.700 -0.048 0.000 2.558 1026 S HA 0.072 4.430 4.470 -0.186 0.000 0.217 1026 S C 1.715 176.260 174.600 -0.092 0.000 0.975 1026 S CA -0.281 57.879 58.200 -0.068 0.000 0.912 1026 S CB 0.346 63.500 63.200 -0.078 0.000 0.776 1026 S HN 0.088 nan 8.310 nan 0.000 0.526 1027 R N 1.169 121.620 120.500 -0.083 0.000 2.159 1027 R HA -0.177 4.051 4.340 -0.186 0.000 0.252 1027 R C 2.228 178.464 176.300 -0.107 0.000 1.144 1027 R CA 1.928 57.971 56.100 -0.094 0.000 0.961 1027 R CB -1.035 29.225 30.300 -0.067 0.000 0.877 1027 R HN 0.376 nan 8.270 nan 0.000 0.444 1028 V N 1.262 121.122 119.914 -0.090 0.000 2.380 1028 V HA -0.267 3.742 4.120 -0.186 0.000 0.251 1028 V C 2.054 178.086 176.094 -0.104 0.000 1.063 1028 V CA 2.224 64.472 62.300 -0.086 0.000 1.055 1028 V CB -0.370 31.400 31.823 -0.087 0.000 0.657 1028 V HN 0.487 nan 8.190 nan 0.000 0.455 1029 I N -0.274 120.215 120.570 -0.135 0.000 2.142 1029 I HA -0.271 3.787 4.170 -0.186 0.000 0.240 1029 I C 2.726 178.694 176.117 -0.248 0.000 1.078 1029 I CA 1.912 63.115 61.300 -0.162 0.000 1.343 1029 I CB -0.352 37.545 38.000 -0.171 0.000 1.046 1029 I HN 0.282 nan 8.210 nan 0.000 0.405 1030 R N 0.410 120.714 120.500 -0.327 0.000 2.105 1030 R HA -0.154 4.074 4.340 -0.186 0.000 0.239 1030 R C 2.449 178.511 176.300 -0.397 0.000 1.135 1030 R CA 1.559 57.337 56.100 -0.538 0.000 0.967 1030 R CB -0.370 29.661 30.300 -0.448 0.000 0.861 1030 R HN 0.474 nan 8.270 nan 0.000 0.442 1031 R N 0.136 120.508 120.500 -0.213 0.000 2.075 1031 R HA -0.032 4.196 4.340 -0.186 0.000 0.232 1031 R C 2.437 178.701 176.300 -0.061 0.000 1.126 1031 R CA 1.660 57.691 56.100 -0.115 0.000 0.963 1031 R CB -0.195 30.064 30.300 -0.069 0.000 0.858 1031 R HN 0.173 nan 8.270 nan 0.000 0.435 1032 S N 1.375 117.063 115.700 -0.019 0.000 2.356 1032 S HA -0.131 4.227 4.470 -0.186 0.000 0.223 1032 S C 2.243 176.961 174.600 0.197 0.000 1.032 1032 S CA 1.138 59.430 58.200 0.152 0.000 1.005 1032 S CB -0.342 62.965 63.200 0.178 0.000 0.867 1032 S HN 0.443 nan 8.310 nan 0.000 0.449 1033 A N 1.895 124.719 122.820 0.008 0.000 1.892 1033 A HA -0.115 4.093 4.320 -0.186 0.000 0.218 1033 A C 2.197 179.848 177.584 0.112 0.000 1.188 1033 A CA 1.754 53.791 52.037 0.001 0.000 0.631 1033 A CB -0.932 17.876 19.000 -0.320 0.000 0.822 1033 A HN 0.398 nan 8.150 nan 0.000 0.447 1034 L N -0.055 121.194 121.223 0.045 0.000 2.017 1034 L HA -0.226 4.002 4.340 -0.186 0.000 0.208 1034 L C 2.679 179.595 176.870 0.077 0.000 1.073 1034 L CA 2.803 57.762 54.840 0.198 0.000 0.745 1034 L CB -0.750 41.412 42.059 0.171 0.000 0.894 1034 L HN 0.663 nan 8.230 nan 0.000 0.432 1035 Q N -1.772 118.007 119.800 -0.036 0.000 2.170 1035 Q HA -0.248 3.981 4.340 -0.186 0.000 0.203 1035 Q C 1.177 176.926 176.000 -0.418 0.000 0.976 1035 Q CA 1.884 57.537 55.803 -0.249 0.000 0.858 1035 Q CB -0.281 28.242 28.738 -0.359 0.000 0.907 1035 Q HN 0.638 nan 8.270 nan 0.000 0.433 1036 Y N 0.764 121.101 120.300 0.061 0.000 2.493 1036 Y HA 0.220 4.659 4.550 -0.185 0.000 0.275 1036 Y C -0.167 175.789 175.900 0.093 0.000 1.183 1036 Y CA -0.104 58.038 58.100 0.070 0.000 1.258 1036 Y CB 0.737 39.239 38.460 0.069 0.000 1.108 1036 Y HN 0.012 nan 8.280 nan 0.000 0.521 1037 K N -1.239 119.267 120.400 0.177 0.000 3.129 1037 K HA -0.156 4.052 4.320 -0.186 0.000 0.273 1037 K C -0.594 176.137 176.600 0.218 0.000 1.123 1037 K CA 0.359 56.750 56.287 0.173 0.000 0.800 1037 K CB -2.544 30.034 32.500 0.131 0.000 1.238 1037 K HN 0.126 nan 8.250 nan 0.000 0.492 1038 V N 1.565 121.634 119.914 0.258 0.000 2.432 1038 V HA 0.091 4.099 4.120 -0.186 0.000 0.275 1038 V C 0.852 177.124 176.094 0.297 0.000 1.043 1038 V CA -0.617 61.849 62.300 0.276 0.000 0.925 1038 V CB 1.031 33.014 31.823 0.265 0.000 0.985 1038 V HN 0.347 nan 8.190 nan 0.000 0.466 1039 H N 5.358 124.572 119.070 0.239 0.000 2.964 1039 H HA 0.318 4.763 4.556 -0.185 0.000 0.328 1039 H C -0.659 174.834 175.328 0.275 0.000 1.030 1039 H CA 0.263 56.437 56.048 0.211 0.000 1.445 1039 H CB 0.176 30.056 29.762 0.196 0.000 1.449 1039 H HN 0.657 nan 8.280 nan 0.000 0.581 1040 Y N 1.657 121.527 120.300 -0.716 0.000 2.534 1040 Y HA 0.485 4.921 4.550 -0.191 0.000 0.345 1040 Y C -1.579 174.115 175.900 -0.343 0.000 1.031 1040 Y CA -1.390 56.466 58.100 -0.408 0.000 1.022 1040 Y CB 1.427 39.726 38.460 -0.267 0.000 1.292 1040 Y HN 0.455 nan 8.280 nan 0.000 0.459 1041 D N 1.451 121.853 120.400 0.004 0.000 2.481 1041 D HA 0.274 4.803 4.640 -0.186 0.000 0.244 1041 D C 0.042 176.405 176.300 0.106 0.000 1.057 1041 D CA -0.392 53.650 54.000 0.070 0.000 0.848 1041 D CB 2.260 43.184 40.800 0.207 0.000 1.388 1041 D HN 0.804 nan 8.370 nan 0.000 0.475 1042 T N -2.652 111.971 114.554 0.114 0.000 3.176 1042 T HA 0.203 4.442 4.350 -0.186 0.000 0.263 1042 T C 0.479 175.229 174.700 0.083 0.000 1.021 1042 T CA -0.254 61.906 62.100 0.100 0.000 0.905 1042 T CB -0.223 68.717 68.868 0.119 0.000 1.057 1042 T HN 0.417 nan 8.240 nan 0.000 0.558 1043 T N -1.187 113.423 114.554 0.092 0.000 2.916 1043 T HA 0.612 4.851 4.350 -0.186 0.000 0.305 1043 T C 0.495 175.248 174.700 0.088 0.000 1.119 1043 T CA -0.890 61.271 62.100 0.102 0.000 1.008 1043 T CB 1.821 70.770 68.868 0.135 0.000 1.129 1043 T HN -0.069 nan 8.240 nan 0.000 0.480 1044 L N 2.015 123.291 121.223 0.088 0.000 2.056 1044 L HA 0.082 4.310 4.340 -0.186 0.000 0.207 1044 L C 2.213 179.174 176.870 0.152 0.000 1.078 1044 L CA 1.707 56.584 54.840 0.063 0.000 0.749 1044 L CB -0.928 41.190 42.059 0.099 0.000 0.901 1044 L HN 0.717 nan 8.230 nan 0.000 0.433 1045 N N -0.020 118.811 118.700 0.219 0.000 2.094 1045 N HA -0.170 4.458 4.740 -0.186 0.000 0.191 1045 N C 1.772 177.408 175.510 0.210 0.000 1.023 1045 N CA 1.532 54.740 53.050 0.263 0.000 0.857 1045 N CB -0.917 37.701 38.487 0.218 0.000 1.013 1045 N HN 0.491 nan 8.380 nan 0.000 0.426 1046 G N -0.338 108.560 108.800 0.164 0.000 2.443 1046 G HA2 -0.105 3.743 3.960 -0.186 0.000 0.219 1046 G HA3 -0.105 3.743 3.960 -0.186 0.000 0.219 1046 G C 1.588 176.564 174.900 0.127 0.000 1.131 1046 G CA 0.956 46.150 45.100 0.156 0.000 0.775 1046 G HN 0.447 nan 8.290 nan 0.000 0.547 1047 G N 0.430 109.276 108.800 0.076 0.000 2.402 1047 G HA2 -0.082 3.767 3.960 -0.186 0.000 0.216 1047 G HA3 -0.082 3.767 3.960 -0.186 0.000 0.216 1047 G C 1.533 176.366 174.900 -0.112 0.000 1.162 1047 G CA 0.536 45.639 45.100 0.006 0.000 0.777 1047 G HN 0.291 nan 8.290 nan 0.000 0.539 1048 F N 1.921 121.880 119.950 0.014 0.000 2.095 1048 F HA 0.009 4.424 4.527 -0.187 0.000 0.298 1048 F C 3.062 178.809 175.800 -0.089 0.000 1.104 1048 F CA 0.906 58.894 58.000 -0.021 0.000 1.232 1048 F CB -0.690 38.312 39.000 0.003 0.000 0.987 1048 F HN 0.243 nan 8.300 nan 0.000 0.475 1049 A N -0.515 122.296 122.820 -0.016 0.000 1.865 1049 A HA -0.229 3.979 4.320 -0.186 0.000 0.217 1049 A C 2.261 179.606 177.584 -0.399 0.000 1.191 1049 A CA 2.491 54.246 52.037 -0.471 0.000 0.623 1049 A CB -1.437 16.898 19.000 -1.108 0.000 0.826 1049 A HN 0.363 nan 8.150 nan 0.000 0.444 1050 T N 0.179 114.652 114.554 -0.135 0.000 2.737 1050 T HA -0.080 4.158 4.350 -0.186 0.000 0.269 1050 T C 2.102 176.736 174.700 -0.111 0.000 1.040 1050 T CA 1.675 63.769 62.100 -0.011 0.000 1.142 1050 T CB -0.402 68.420 68.868 -0.076 0.000 0.861 1050 T HN 0.628 nan 8.240 nan 0.000 0.456 1051 A N 1.164 123.921 122.820 -0.106 0.000 1.897 1051 A HA 0.062 4.270 4.320 -0.186 0.000 0.215 1051 A C 2.327 179.915 177.584 0.006 0.000 1.181 1051 A CA 1.150 53.143 52.037 -0.074 0.000 0.620 1051 A CB -0.574 18.405 19.000 -0.035 0.000 0.821 1051 A HN 0.430 nan 8.150 nan 0.000 0.443 1052 M N -0.349 119.277 119.600 0.044 0.000 2.202 1052 M HA -0.178 4.190 4.480 -0.186 0.000 0.262 1052 M C 2.368 178.696 176.300 0.047 0.000 1.063 1052 M CA 1.404 56.747 55.300 0.072 0.000 1.097 1052 M CB -0.438 32.240 32.600 0.131 0.000 1.382 1052 M HN 0.490 nan 8.290 nan 0.000 0.413 1053 A N 0.103 122.946 122.820 0.038 0.000 2.121 1053 A HA -0.044 4.165 4.320 -0.186 0.000 0.218 1053 A C 1.987 179.577 177.584 0.010 0.000 1.154 1053 A CA 0.925 52.990 52.037 0.046 0.000 0.679 1053 A CB -0.769 18.335 19.000 0.174 0.000 0.795 1053 A HN 0.470 nan 8.150 nan 0.000 0.458 1054 L N -0.782 120.445 121.223 0.008 0.000 2.376 1054 L HA -0.111 4.117 4.340 -0.186 0.000 0.219 1054 L C 1.465 178.352 176.870 0.027 0.000 1.133 1054 L CA 0.944 55.795 54.840 0.019 0.000 0.816 1054 L CB -0.378 41.709 42.059 0.047 0.000 0.933 1054 L HN 0.461 nan 8.230 nan 0.000 0.449 1055 N N -0.461 118.256 118.700 0.028 0.000 2.336 1055 N HA 0.187 4.815 4.740 -0.186 0.000 0.189 1055 N C 0.250 175.769 175.510 0.015 0.000 1.113 1055 N CA -0.135 52.932 53.050 0.028 0.000 0.858 1055 N CB 0.438 38.949 38.487 0.039 0.000 0.970 1055 N HN 0.215 nan 8.380 nan 0.000 0.471 1056 A N 0.152 122.973 122.820 0.001 0.000 2.387 1056 A HA 0.491 4.699 4.320 -0.186 0.000 0.303 1056 A C -1.327 176.238 177.584 -0.032 0.000 1.145 1056 A CA -0.534 51.495 52.037 -0.013 0.000 0.801 1056 A CB 1.324 20.311 19.000 -0.021 0.000 1.342 1056 A HN 0.004 nan 8.150 nan 0.000 0.440 1057 D N 0.506 120.881 120.400 -0.042 0.000 2.420 1057 D HA 0.515 5.043 4.640 -0.186 0.000 0.255 1057 D C 0.806 177.057 176.300 -0.082 0.000 1.185 1057 D CA 0.250 54.212 54.000 -0.064 0.000 0.904 1057 D CB 1.237 42.003 40.800 -0.056 0.000 1.102 1057 D HN 0.521 nan 8.370 nan 0.000 0.534 1058 A N 2.421 125.174 122.820 -0.111 0.000 2.186 1058 A HA -0.095 4.113 4.320 -0.186 0.000 0.219 1058 A C 1.653 179.155 177.584 -0.137 0.000 1.159 1058 A CA 1.797 53.758 52.037 -0.127 0.000 0.680 1058 A CB -0.333 18.572 19.000 -0.158 0.000 0.787 1058 A HN 0.520 nan 8.150 nan 0.000 0.467 1059 T N -4.008 110.456 114.554 -0.150 0.000 3.129 1059 T HA 0.238 4.477 4.350 -0.186 0.000 0.267 1059 T C 1.125 175.753 174.700 -0.119 0.000 1.018 1059 T CA 0.553 62.557 62.100 -0.160 0.000 0.903 1059 T CB 0.205 68.944 68.868 -0.216 0.000 1.067 1059 T HN 0.522 nan 8.240 nan 0.000 0.549 1060 E N 1.586 121.733 120.200 -0.089 0.000 2.076 1060 E HA 0.053 4.291 4.350 -0.186 0.000 0.190 1060 E C 0.663 177.233 176.600 -0.051 0.000 0.979 1060 E CA 0.515 56.878 56.400 -0.063 0.000 0.807 1060 E CB 0.231 29.905 29.700 -0.043 0.000 0.761 1060 E HN 0.496 nan 8.360 nan 0.000 0.454 1061 K N 0.527 120.899 120.400 -0.047 0.000 2.550 1061 K HA 0.226 4.434 4.320 -0.186 0.000 0.252 1061 K C -1.043 175.541 176.600 -0.026 0.000 0.943 1061 K CA -0.615 55.654 56.287 -0.031 0.000 0.806 1061 K CB 2.050 34.545 32.500 -0.009 0.000 1.289 1061 K HN 0.029 nan 8.250 nan 0.000 0.435 1062 V N 1.902 121.804 119.914 -0.020 0.000 2.850 1062 V HA 0.756 4.764 4.120 -0.186 0.000 0.315 1062 V C -0.367 175.791 176.094 0.108 0.000 1.064 1062 V CA -0.809 61.505 62.300 0.023 0.000 0.979 1062 V CB 1.628 33.420 31.823 -0.051 0.000 1.039 1062 V HN 0.836 nan 8.190 nan 0.000 0.452 1063 I N 2.752 123.426 120.570 0.174 0.000 2.680 1063 I HA 0.460 4.518 4.170 -0.186 0.000 0.291 1063 I C 0.022 176.097 176.117 -0.071 0.000 1.244 1063 I CA -0.116 61.233 61.300 0.081 0.000 1.042 1063 I CB 2.358 40.333 38.000 -0.041 0.000 1.277 1063 I HN 1.153 nan 8.210 nan 0.000 0.423 1064 S N 5.305 120.790 115.700 -0.358 0.000 2.603 1064 S HA 0.236 4.595 4.470 -0.186 0.000 0.268 1064 S C 0.961 175.282 174.600 -0.465 0.000 1.317 1064 S CA -0.493 57.228 58.200 -0.798 0.000 1.012 1064 S CB 1.795 64.480 63.200 -0.858 0.000 0.926 1064 S HN 0.487 nan 8.310 nan 0.000 0.539 1065 V N 2.440 122.077 119.914 -0.462 0.000 2.515 1065 V HA -0.134 3.874 4.120 -0.186 0.000 0.250 1065 V C 2.588 178.376 176.094 -0.511 0.000 1.058 1065 V CA 1.935 63.971 62.300 -0.441 0.000 1.064 1065 V CB -1.193 30.404 31.823 -0.376 0.000 0.675 1065 V HN 0.830 nan 8.190 nan 0.000 0.461 1066 Q N 0.053 119.624 119.800 -0.382 0.000 2.079 1066 Q HA -0.155 4.073 4.340 -0.186 0.000 0.200 1066 Q C 2.175 178.065 176.000 -0.183 0.000 0.974 1066 Q CA 1.519 57.158 55.803 -0.272 0.000 0.840 1066 Q CB -0.310 28.322 28.738 -0.178 0.000 0.898 1066 Q HN 0.670 nan 8.270 nan 0.000 0.430 1067 E N 0.015 120.102 120.200 -0.189 0.000 2.077 1067 E HA -0.180 4.058 4.350 -0.186 0.000 0.193 1067 E C 1.939 178.502 176.600 -0.061 0.000 0.989 1067 E CA 1.090 57.429 56.400 -0.103 0.000 0.800 1067 E CB -0.166 29.473 29.700 -0.101 0.000 0.746 1067 E HN 0.363 nan 8.360 nan 0.000 0.452 1068 M N -0.152 119.360 119.600 -0.147 0.000 2.082 1068 M HA -0.225 4.144 4.480 -0.186 0.000 0.258 1068 M C 1.920 178.367 176.300 0.244 0.000 1.069 1068 M CA 1.722 56.967 55.300 -0.092 0.000 1.102 1068 M CB -0.352 32.051 32.600 -0.328 0.000 1.336 1068 M HN 0.262 nan 8.290 nan 0.000 0.404 1069 H N -1.273 117.813 119.070 0.027 0.000 2.502 1069 H HA 0.086 4.530 4.556 -0.187 0.000 0.283 1069 H C 2.117 177.471 175.328 0.043 0.000 1.015 1069 H CA 0.319 56.402 56.048 0.059 0.000 1.298 1069 H CB 0.149 29.923 29.762 0.020 0.000 1.411 1069 H HN 0.441 nan 8.280 nan 0.000 0.556 1070 A N 1.333 124.246 122.820 0.156 0.000 1.858 1070 A HA -0.217 3.991 4.320 -0.186 0.000 0.216 1070 A C 2.103 179.739 177.584 0.088 0.000 1.190 1070 A CA 1.309 53.398 52.037 0.087 0.000 0.617 1070 A CB -0.501 18.523 19.000 0.041 0.000 0.827 1070 A HN 0.412 nan 8.150 nan 0.000 0.443 1071 Q N -0.494 119.374 119.800 0.113 0.000 2.449 1071 Q HA -0.050 4.178 4.340 -0.186 0.000 0.214 1071 Q C -0.133 175.917 176.000 0.083 0.000 0.986 1071 Q CA 0.318 56.187 55.803 0.111 0.000 0.893 1071 Q CB -0.402 28.441 28.738 0.174 0.000 0.940 1071 Q HN 0.642 nan 8.270 nan 0.000 0.477 1072 I N 1.990 122.614 120.570 0.090 0.000 2.322 1072 I HA 0.075 4.133 4.170 -0.186 0.000 0.292 1072 I C 0.186 176.303 176.117 -0.001 0.000 1.060 1072 I CA -0.343 60.969 61.300 0.020 0.000 1.309 1072 I CB 0.693 38.693 38.000 -0.000 0.000 1.415 1072 I HN -0.108 nan 8.210 nan 0.000 0.492 1073 K N 0.000 120.388 120.400 -0.019 0.000 2.780 1073 K HA 0.000 4.208 4.320 -0.186 0.000 0.191 1073 K CA 0.000 56.276 56.287 -0.019 0.000 0.838 1073 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543