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 1m6v_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 PLVVRPSXXX 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 0.000 176.265 176.300 -0.058 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.014 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.025 0.000 1.302 2 P HA 0.303 nan 4.420 nan 0.000 0.328 2 P C -1.035 175.935 177.300 -0.550 0.000 1.305 2 P CA -0.475 62.433 63.100 -0.319 0.000 0.745 2 P CB 0.149 31.748 31.700 -0.169 0.000 1.462 3 K N 0.245 120.150 120.400 -0.826 0.000 2.447 3 K HA 0.092 4.313 4.320 -0.166 0.000 0.281 3 K C 0.173 176.688 176.600 -0.142 0.000 1.031 3 K CA -0.075 55.901 56.287 -0.518 0.000 1.019 3 K CB 0.159 32.495 32.500 -0.274 0.000 0.918 3 K HN 0.153 nan 8.250 nan 0.000 0.476 4 R N 2.060 122.550 120.500 -0.016 0.000 2.583 4 R HA -0.076 4.164 4.340 -0.166 0.000 0.274 4 R C 0.746 177.098 176.300 0.086 0.000 0.998 4 R CA 0.591 56.717 56.100 0.043 0.000 1.081 4 R CB 0.514 30.855 30.300 0.067 0.000 0.940 4 R HN 0.881 nan 8.270 nan 0.000 0.413 5 T N 0.158 114.736 114.554 0.039 0.000 3.000 5 T HA -0.048 4.202 4.350 -0.166 0.000 0.248 5 T C 0.718 175.445 174.700 0.044 0.000 1.034 5 T CA 0.418 62.533 62.100 0.026 0.000 1.060 5 T CB 0.130 68.996 68.868 -0.003 0.000 0.983 5 T HN 0.709 nan 8.240 nan 0.000 0.482 6 D N 1.128 121.556 120.400 0.047 0.000 2.346 6 D HA 0.112 4.652 4.640 -0.166 0.000 0.248 6 D C 0.221 176.562 176.300 0.069 0.000 1.173 6 D CA 0.107 54.134 54.000 0.046 0.000 0.878 6 D CB -0.527 40.292 40.800 0.032 0.000 0.919 6 D HN 0.462 nan 8.370 nan 0.000 0.513 7 I N -0.712 119.927 120.570 0.115 0.000 2.644 7 I HA 0.227 4.297 4.170 -0.166 0.000 0.291 7 I C 0.256 176.525 176.117 0.254 0.000 1.180 7 I CA -0.708 60.690 61.300 0.163 0.000 1.040 7 I CB 2.364 40.459 38.000 0.160 0.000 1.255 7 I HN -0.311 nan 8.210 nan 0.000 0.422 8 K N 1.818 122.343 120.400 0.208 0.000 2.504 8 K HA 0.188 4.409 4.320 -0.166 0.000 0.203 8 K C 0.136 176.885 176.600 0.248 0.000 1.350 8 K CA 0.108 56.517 56.287 0.205 0.000 0.953 8 K CB 0.833 33.383 32.500 0.083 0.000 1.243 8 K HN 0.595 nan 8.250 nan 0.000 0.534 9 S N 0.945 116.745 115.700 0.167 0.000 2.473 9 S HA 0.666 5.036 4.470 -0.166 0.000 0.307 9 S C -0.412 174.237 174.600 0.081 0.000 1.094 9 S CA -0.814 57.461 58.200 0.124 0.000 1.070 9 S CB 1.122 64.373 63.200 0.085 0.000 1.019 9 S HN 0.096 nan 8.310 nan 0.000 0.480 10 I N 2.828 123.432 120.570 0.057 0.000 2.498 10 I HA 0.387 4.457 4.170 -0.166 0.000 0.290 10 I C -1.164 174.963 176.117 0.015 0.000 1.032 10 I CA -0.962 60.340 61.300 0.002 0.000 1.073 10 I CB 2.058 40.012 38.000 -0.077 0.000 1.251 10 I HN 0.588 nan 8.210 nan 0.000 0.426 11 L N 8.074 129.302 121.223 0.008 0.000 2.264 11 L HA 0.558 4.798 4.340 -0.166 0.000 0.289 11 L C -0.765 176.108 176.870 0.004 0.000 1.044 11 L CA 0.094 54.943 54.840 0.014 0.000 0.807 11 L CB 0.677 42.738 42.059 0.004 0.000 1.192 11 L HN 0.390 nan 8.230 nan 0.000 0.425 12 I N 6.540 127.118 120.570 0.013 0.000 2.312 12 I HA 0.237 4.307 4.170 -0.166 0.000 0.290 12 I C -0.414 175.708 176.117 0.008 0.000 1.008 12 I CA -0.556 60.748 61.300 0.006 0.000 1.226 12 I CB 1.035 39.040 38.000 0.009 0.000 1.371 12 I HN 0.471 nan 8.210 nan 0.000 0.468 13 L N 6.549 127.769 121.223 -0.005 0.000 2.369 13 L HA 0.323 4.563 4.340 -0.166 0.000 0.279 13 L C 1.079 177.938 176.870 -0.017 0.000 1.108 13 L CA -0.231 54.602 54.840 -0.011 0.000 0.852 13 L CB 0.249 42.293 42.059 -0.024 0.000 1.169 13 L HN 0.653 nan 8.230 nan 0.000 0.452 14 G N 1.768 110.566 108.800 -0.003 0.000 2.599 14 G HA2 0.380 4.240 3.960 -0.166 0.000 0.264 14 G HA3 0.380 4.240 3.960 -0.166 0.000 0.264 14 G C 0.813 175.695 174.900 -0.031 0.000 1.200 14 G CA 0.129 45.231 45.100 0.003 0.000 0.896 14 G HN 0.783 nan 8.290 nan 0.000 0.536 15 A N -0.612 122.193 122.820 -0.025 0.000 1.970 15 A HA 0.534 4.754 4.320 -0.166 0.000 0.216 15 A C 1.616 179.184 177.584 -0.028 0.000 1.170 15 A CA 1.820 53.811 52.037 -0.076 0.000 0.645 15 A CB -0.848 18.137 19.000 -0.026 0.000 0.816 15 A HN 2.554 nan 8.150 nan 0.000 0.447 16 G N -1.524 107.281 108.800 0.009 0.000 2.549 16 G HA2 0.032 3.893 3.960 -0.166 0.000 0.404 16 G HA3 0.032 3.893 3.960 -0.166 0.000 0.404 16 G C -3.174 171.735 174.900 0.015 0.000 1.292 16 G CA -0.459 44.643 45.100 0.003 0.000 0.935 16 G HN 0.362 nan 8.290 nan 0.000 0.512 17 P HA 0.395 nan 4.420 nan 0.000 0.271 17 P C 0.363 177.666 177.300 0.005 0.000 1.218 17 P CA -0.258 62.836 63.100 -0.010 0.000 0.780 17 P CB 0.430 32.109 31.700 -0.035 0.000 0.901 18 I N 2.841 123.416 120.570 0.007 0.000 2.618 18 I HA 0.070 4.140 4.170 -0.166 0.000 0.284 18 I C 0.963 177.075 176.117 -0.008 0.000 1.146 18 I CA 0.128 61.438 61.300 0.017 0.000 1.425 18 I CB 0.095 38.102 38.000 0.012 0.000 1.383 18 I HN 0.215 nan 8.210 nan 0.000 0.562 19 V N 4.926 124.838 119.914 -0.004 0.000 3.160 19 V HA 0.559 4.579 4.120 -0.166 0.000 0.310 19 V C -0.010 176.058 176.094 -0.044 0.000 1.181 19 V CA -1.218 61.059 62.300 -0.038 0.000 1.047 19 V CB 2.025 33.819 31.823 -0.049 0.000 1.068 19 V HN 0.445 nan 8.190 nan 0.000 0.441 20 I N 2.266 122.784 120.570 -0.086 0.000 2.668 20 I HA 0.416 4.486 4.170 -0.166 0.000 0.285 20 I C 1.528 177.587 176.117 -0.096 0.000 1.168 20 I CA 2.026 63.264 61.300 -0.105 0.000 1.424 20 I CB 0.533 38.432 38.000 -0.168 0.000 1.377 20 I HN 1.261 nan 8.210 nan 0.000 0.560 21 G N 4.774 113.528 108.800 -0.076 0.000 2.234 21 G HA2 -0.280 3.580 3.960 -0.166 0.000 0.235 21 G HA3 -0.280 3.580 3.960 -0.166 0.000 0.235 21 G C 0.266 175.190 174.900 0.041 0.000 0.997 21 G CA 0.144 45.209 45.100 -0.060 0.000 0.623 21 G HN 0.607 nan 8.290 nan 0.000 0.514 22 Q N 0.002 119.847 119.800 0.075 0.000 3.258 22 Q HA 0.667 4.908 4.340 -0.166 0.000 0.214 22 Q C 0.018 176.139 176.000 0.200 0.000 0.873 22 Q CA 0.421 56.365 55.803 0.236 0.000 0.752 22 Q CB 0.691 29.526 28.738 0.162 0.000 1.396 22 Q HN 0.952 nan 8.270 nan 0.000 0.463 23 A N 0.476 123.377 122.820 0.134 0.000 3.521 23 A HA 0.435 4.655 4.320 -0.166 0.000 0.181 23 A C 1.136 178.724 177.584 0.006 0.000 1.386 23 A CA -0.048 52.016 52.037 0.045 0.000 0.873 23 A CB -0.335 18.651 19.000 -0.024 0.000 1.634 23 A HN 0.841 nan 8.150 nan 0.000 0.551 24 C N 1.013 120.295 119.300 -0.030 0.000 2.403 24 C HA -0.118 4.242 4.460 -0.166 0.000 0.279 24 C C 2.500 177.456 174.990 -0.058 0.000 1.269 24 C CA 1.094 60.105 59.018 -0.011 0.000 1.774 24 C CB -1.542 26.201 27.740 0.004 0.000 1.993 24 C HN 0.866 nan 8.230 nan 0.000 0.496 25 E N 1.668 121.734 120.200 -0.224 0.000 2.253 25 E HA -0.267 3.983 4.350 -0.166 0.000 0.202 25 E C 1.461 177.874 176.600 -0.312 0.000 1.014 25 E CA 1.784 58.002 56.400 -0.305 0.000 0.823 25 E CB -0.763 28.582 29.700 -0.592 0.000 0.736 25 E HN 0.657 nan 8.360 nan 0.000 0.478 26 F N 1.454 121.470 119.950 0.110 0.000 2.512 26 F HA 0.071 4.497 4.527 -0.167 0.000 0.296 26 F C 2.108 177.949 175.800 0.069 0.000 1.110 26 F CA 0.764 58.809 58.000 0.075 0.000 1.446 26 F CB -0.394 38.633 39.000 0.045 0.000 1.092 26 F HN 0.028 nan 8.300 nan 0.000 0.554 27 D N -0.665 119.850 120.400 0.192 0.000 2.103 27 D HA -0.236 4.304 4.640 -0.166 0.000 0.199 27 D C 2.212 178.592 176.300 0.132 0.000 0.978 27 D CA 1.128 55.219 54.000 0.153 0.000 0.829 27 D CB -0.363 40.519 40.800 0.137 0.000 0.981 27 D HN 0.273 nan 8.370 nan 0.000 0.464 28 Y N 1.144 121.458 120.300 0.023 0.000 2.097 28 Y HA -0.206 4.244 4.550 -0.166 0.000 0.282 28 Y C 2.379 178.292 175.900 0.021 0.000 1.152 28 Y CA 2.390 60.491 58.100 0.002 0.000 1.136 28 Y CB -0.660 37.783 38.460 -0.028 0.000 0.975 28 Y HN -0.053 nan 8.280 nan 0.000 0.498 29 S N 0.289 115.854 115.700 -0.225 0.000 2.356 29 S HA -0.135 4.236 4.470 -0.166 0.000 0.223 29 S C 2.271 176.807 174.600 -0.106 0.000 1.032 29 S CA 1.184 59.245 58.200 -0.232 0.000 1.005 29 S CB -1.308 61.929 63.200 0.062 0.000 0.867 29 S HN 0.726 nan 8.310 nan 0.000 0.449 30 G N 1.508 110.320 108.800 0.020 0.000 2.440 30 G HA2 -0.074 3.786 3.960 -0.166 0.000 0.218 30 G HA3 -0.074 3.786 3.960 -0.166 0.000 0.218 30 G C 1.553 176.446 174.900 -0.013 0.000 1.154 30 G CA 0.918 46.035 45.100 0.029 0.000 0.767 30 G HN 0.598 nan 8.290 nan 0.000 0.552 31 A N 0.099 122.901 122.820 -0.030 0.000 1.969 31 A HA -0.039 4.181 4.320 -0.166 0.000 0.218 31 A C 2.312 179.851 177.584 -0.076 0.000 1.169 31 A CA 1.752 53.770 52.037 -0.032 0.000 0.635 31 A CB -0.319 18.676 19.000 -0.009 0.000 0.810 31 A HN 0.452 nan 8.150 nan 0.000 0.445 32 Q N -0.890 118.813 119.800 -0.160 0.000 2.167 32 Q HA -0.057 4.184 4.340 -0.166 0.000 0.202 32 Q C 2.387 178.329 176.000 -0.097 0.000 0.970 32 Q CA 1.153 56.848 55.803 -0.181 0.000 0.855 32 Q CB -0.263 28.275 28.738 -0.333 0.000 0.911 32 Q HN 0.699 nan 8.270 nan 0.000 0.438 33 A N 0.145 122.922 122.820 -0.072 0.000 1.897 33 A HA -0.134 4.086 4.320 -0.166 0.000 0.215 33 A C 2.333 179.909 177.584 -0.013 0.000 1.181 33 A CA 0.914 52.932 52.037 -0.031 0.000 0.620 33 A CB -0.736 18.254 19.000 -0.018 0.000 0.821 33 A HN 0.437 nan 8.150 nan 0.000 0.443 34 C N -0.541 118.754 119.300 -0.009 0.000 2.413 34 C HA -0.099 4.262 4.460 -0.166 0.000 0.278 34 C C 2.639 177.638 174.990 0.015 0.000 1.224 34 C CA 1.360 60.384 59.018 0.009 0.000 1.732 34 C CB -1.080 26.667 27.740 0.012 0.000 2.050 34 C HN 0.735 nan 8.230 nan 0.000 0.463 35 K N 1.122 121.521 120.400 -0.002 0.000 2.032 35 K HA -0.284 3.937 4.320 -0.166 0.000 0.218 35 K C 2.131 178.739 176.600 0.013 0.000 1.054 35 K CA 2.220 58.507 56.287 -0.001 0.000 0.941 35 K CB -0.476 32.009 32.500 -0.024 0.000 0.720 35 K HN 0.427 nan 8.250 nan 0.000 0.449 36 A N 1.099 123.922 122.820 0.004 0.000 1.873 36 A HA -0.197 4.023 4.320 -0.166 0.000 0.218 36 A C 2.211 179.838 177.584 0.072 0.000 1.193 36 A CA 1.918 53.966 52.037 0.019 0.000 0.629 36 A CB -0.808 18.195 19.000 0.004 0.000 0.826 36 A HN 0.386 nan 8.150 nan 0.000 0.447 37 L N -1.443 119.827 121.223 0.078 0.000 2.093 37 L HA -0.161 4.080 4.340 -0.166 0.000 0.208 37 L C 2.801 179.814 176.870 0.237 0.000 1.085 37 L CA 1.679 56.612 54.840 0.155 0.000 0.755 37 L CB -0.543 41.544 42.059 0.047 0.000 0.904 37 L HN 0.510 nan 8.230 nan 0.000 0.435 38 R N 0.796 121.374 120.500 0.132 0.000 2.082 38 R HA -0.222 4.018 4.340 -0.166 0.000 0.234 38 R C 2.163 178.518 176.300 0.091 0.000 1.136 38 R CA 1.842 58.004 56.100 0.103 0.000 0.935 38 R CB -0.217 30.117 30.300 0.057 0.000 0.842 38 R HN 0.265 nan 8.270 nan 0.000 0.430 39 E N -0.242 120.001 120.200 0.073 0.000 2.187 39 E HA -0.198 4.052 4.350 -0.166 0.000 0.199 39 E C 1.009 177.648 176.600 0.065 0.000 1.004 39 E CA 1.330 57.761 56.400 0.051 0.000 0.813 39 E CB 0.131 29.851 29.700 0.034 0.000 0.736 39 E HN 0.370 nan 8.360 nan 0.000 0.468 40 E N -0.966 119.314 120.200 0.134 0.000 2.437 40 E HA 0.052 4.303 4.350 -0.166 0.000 0.189 40 E C 0.885 177.466 176.600 -0.031 0.000 1.054 40 E CA 0.571 57.067 56.400 0.160 0.000 0.874 40 E CB 0.753 30.708 29.700 0.426 0.000 1.011 40 E HN 0.379 nan 8.360 nan 0.000 0.474 41 G N 1.274 110.067 108.800 -0.012 0.000 2.160 41 G HA2 -0.318 3.543 3.960 -0.166 0.000 0.251 41 G HA3 -0.318 3.543 3.960 -0.166 0.000 0.251 41 G C -0.079 174.738 174.900 -0.138 0.000 1.008 41 G CA 0.317 45.363 45.100 -0.091 0.000 0.724 41 G HN 0.256 nan 8.290 nan 0.000 0.514 42 Y N -0.587 119.737 120.300 0.040 0.000 2.326 42 Y HA 0.551 5.001 4.550 -0.166 0.000 0.324 42 Y C 1.220 177.136 175.900 0.027 0.000 1.291 42 Y CA -0.655 57.466 58.100 0.035 0.000 1.348 42 Y CB 0.681 39.166 38.460 0.042 0.000 1.294 42 Y HN 0.125 nan 8.280 nan 0.000 0.525 43 R N 1.556 122.186 120.500 0.217 0.000 2.202 43 R HA 0.472 4.713 4.340 -0.166 0.000 0.334 43 R C -1.837 174.535 176.300 0.120 0.000 1.036 43 R CA -0.349 55.826 56.100 0.125 0.000 0.878 43 R CB 0.302 30.657 30.300 0.091 0.000 1.067 43 R HN 0.529 nan 8.270 nan 0.000 0.457 44 V N 7.328 127.295 119.914 0.088 0.000 2.350 44 V HA 0.358 4.378 4.120 -0.166 0.000 0.276 44 V C 0.013 176.136 176.094 0.049 0.000 1.028 44 V CA -0.597 61.742 62.300 0.065 0.000 0.860 44 V CB 1.304 33.161 31.823 0.057 0.000 0.990 44 V HN 0.647 nan 8.190 nan 0.000 0.453 45 I N 6.491 127.097 120.570 0.059 0.000 2.404 45 I HA 0.555 4.625 4.170 -0.166 0.000 0.293 45 I C -0.124 176.044 176.117 0.085 0.000 0.992 45 I CA -0.195 61.157 61.300 0.087 0.000 1.149 45 I CB 1.743 39.814 38.000 0.119 0.000 1.315 45 I HN 0.778 nan 8.210 nan 0.000 0.446 46 N N 5.532 124.295 118.700 0.104 0.000 2.329 46 N HA 0.575 5.216 4.740 -0.166 0.000 0.282 46 N C -1.867 173.724 175.510 0.135 0.000 1.198 46 N CA -0.652 52.451 53.050 0.088 0.000 0.790 46 N CB 2.683 41.199 38.487 0.048 0.000 1.579 46 N HN 0.389 nan 8.380 nan 0.000 0.475 47 V N 1.115 121.085 119.914 0.093 0.000 2.531 47 V HA 0.611 4.631 4.120 -0.166 0.000 0.301 47 V C -1.445 174.680 176.094 0.051 0.000 1.034 47 V CA -0.467 61.890 62.300 0.094 0.000 0.865 47 V CB 1.226 33.085 31.823 0.060 0.000 0.995 47 V HN 0.935 nan 8.190 nan 0.000 0.424 48 N N 3.293 122.023 118.700 0.051 0.000 2.578 48 N HA 0.219 4.860 4.740 -0.166 0.000 0.282 48 N C 0.450 175.975 175.510 0.026 0.000 1.119 48 N CA 0.280 53.350 53.050 0.033 0.000 0.948 48 N CB 2.381 40.892 38.487 0.039 0.000 1.546 48 N HN 0.673 nan 8.380 nan 0.000 0.525 49 S N 1.608 117.315 115.700 0.012 0.000 2.555 49 S HA -0.023 4.348 4.470 -0.166 0.000 0.230 49 S C 0.665 175.263 174.600 -0.002 0.000 0.978 49 S CA 0.132 58.332 58.200 -0.000 0.000 0.934 49 S CB -0.255 62.934 63.200 -0.018 0.000 0.766 49 S HN 0.543 nan 8.310 nan 0.000 0.533 50 N N 3.168 121.871 118.700 0.005 0.000 2.469 50 N HA 0.286 4.927 4.740 -0.166 0.000 0.239 50 N C -1.653 173.856 175.510 -0.001 0.000 1.053 50 N CA -2.517 50.533 53.050 -0.001 0.000 0.937 50 N CB 1.328 39.821 38.487 0.009 0.000 1.163 50 N HN 0.025 nan 8.380 nan 0.000 0.509 51 P HA -0.085 nan 4.420 nan 0.000 0.220 51 P C 0.348 177.559 177.300 -0.148 0.000 1.148 51 P CA 0.770 63.856 63.100 -0.024 0.000 0.803 51 P CB 0.116 31.845 31.700 0.050 0.000 0.782 52 A N 0.211 122.924 122.820 -0.179 0.000 2.281 52 A HA 0.182 4.403 4.320 -0.166 0.000 0.231 52 A C 0.712 178.234 177.584 -0.104 0.000 1.317 52 A CA 0.208 52.040 52.037 -0.342 0.000 0.959 52 A CB -1.488 17.363 19.000 -0.249 0.000 0.900 52 A HN 0.328 nan 8.150 nan 0.000 0.497 53 T N -3.182 111.388 114.554 0.026 0.000 2.859 53 T HA 0.530 4.780 4.350 -0.166 0.000 0.281 53 T C 1.041 175.945 174.700 0.341 0.000 1.005 53 T CA -0.763 61.447 62.100 0.183 0.000 1.025 53 T CB 1.024 69.959 68.868 0.111 0.000 0.977 53 T HN -0.016 nan 8.240 nan 0.000 0.458 54 I N 2.617 123.352 120.570 0.276 0.000 2.226 54 I HA -0.158 3.913 4.170 -0.166 0.000 0.245 54 I C 2.597 178.802 176.117 0.147 0.000 1.100 54 I CA 1.744 63.150 61.300 0.176 0.000 1.374 54 I CB -0.957 37.082 38.000 0.064 0.000 1.057 54 I HN 0.890 nan 8.210 nan 0.000 0.413 55 M N 0.761 120.431 119.600 0.116 0.000 2.346 55 M HA -0.172 4.208 4.480 -0.166 0.000 0.263 55 M C 1.603 177.949 176.300 0.076 0.000 1.064 55 M CA 2.272 57.620 55.300 0.080 0.000 1.083 55 M CB -0.860 31.780 32.600 0.067 0.000 1.399 55 M HN 0.295 nan 8.290 nan 0.000 0.435 56 T N -2.639 111.976 114.554 0.101 0.000 3.144 56 T HA 0.167 4.417 4.350 -0.166 0.000 0.249 56 T C -0.143 174.612 174.700 0.090 0.000 1.089 56 T CA -0.473 61.669 62.100 0.071 0.000 0.989 56 T CB -0.526 68.376 68.868 0.057 0.000 0.992 56 T HN 0.242 nan 8.240 nan 0.000 0.540 57 D N 3.850 124.330 120.400 0.134 0.000 2.417 57 D HA 0.178 4.718 4.640 -0.166 0.000 0.250 57 D C -1.218 175.125 176.300 0.071 0.000 1.166 57 D CA -2.075 52.015 54.000 0.150 0.000 0.881 57 D CB 1.646 42.549 40.800 0.171 0.000 1.164 57 D HN 0.090 nan 8.370 nan 0.000 0.467 58 P HA -0.239 nan 4.420 nan 0.000 0.218 58 P C 1.035 178.337 177.300 0.002 0.000 1.154 58 P CA 1.385 64.486 63.100 0.002 0.000 0.872 58 P CB 0.157 31.879 31.700 0.036 0.000 0.790 59 E N -1.045 119.168 120.200 0.022 0.000 2.478 59 E HA -0.081 4.169 4.350 -0.166 0.000 0.198 59 E C 1.402 178.007 176.600 0.009 0.000 1.046 59 E CA 0.792 57.198 56.400 0.011 0.000 0.870 59 E CB -0.695 29.009 29.700 0.006 0.000 0.818 59 E HN 0.225 nan 8.360 nan 0.000 0.527 60 M N 0.592 120.201 119.600 0.016 0.000 2.541 60 M HA 0.325 4.705 4.480 -0.166 0.000 0.252 60 M C 0.915 177.223 176.300 0.013 0.000 1.125 60 M CA 0.221 55.531 55.300 0.017 0.000 1.091 60 M CB -0.012 32.604 32.600 0.027 0.000 1.420 60 M HN 0.168 nan 8.290 nan 0.000 0.486 61 A N -0.666 122.156 122.820 0.003 0.000 2.568 61 A HA 0.502 4.722 4.320 -0.166 0.000 0.291 61 A C -0.011 177.563 177.584 -0.016 0.000 1.159 61 A CA -0.633 51.404 52.037 0.000 0.000 0.679 61 A CB 0.726 19.726 19.000 -0.001 0.000 1.285 61 A HN 0.139 nan 8.150 nan 0.000 0.428 62 D N -0.051 120.343 120.400 -0.011 0.000 2.144 62 D HA 0.233 4.774 4.640 -0.166 0.000 0.207 62 D C 0.798 177.058 176.300 -0.067 0.000 0.970 62 D CA 1.783 55.771 54.000 -0.020 0.000 0.853 62 D CB 0.177 40.984 40.800 0.011 0.000 1.007 62 D HN 0.671 nan 8.370 nan 0.000 0.469 63 A N 1.219 123.993 122.820 -0.076 0.000 2.431 63 A HA 0.437 4.657 4.320 -0.166 0.000 0.318 63 A C -0.509 176.914 177.584 -0.268 0.000 1.330 63 A CA -0.446 51.472 52.037 -0.198 0.000 0.804 63 A CB 0.731 19.705 19.000 -0.043 0.000 1.135 63 A HN -0.141 nan 8.150 nan 0.000 0.483 64 T N 2.956 117.300 114.554 -0.349 0.000 2.738 64 T HA 0.364 4.615 4.350 -0.166 0.000 0.298 64 T C -0.905 173.550 174.700 -0.409 0.000 0.962 64 T CA 0.473 62.417 62.100 -0.259 0.000 0.972 64 T CB -0.357 68.412 68.868 -0.166 0.000 0.928 64 T HN 0.393 nan 8.240 nan 0.000 0.474 65 Y N 3.216 123.483 120.300 -0.054 0.000 2.518 65 Y HA 0.399 4.849 4.550 -0.167 0.000 0.344 65 Y C 0.641 176.508 175.900 -0.055 0.000 0.982 65 Y CA -1.060 57.002 58.100 -0.064 0.000 1.234 65 Y CB 0.106 38.528 38.460 -0.063 0.000 1.114 65 Y HN 0.561 nan 8.280 nan 0.000 0.515 66 I N 4.776 125.371 120.570 0.042 0.000 2.224 66 I HA 0.191 4.261 4.170 -0.166 0.000 0.293 66 I C -0.161 175.974 176.117 0.030 0.000 1.155 66 I CA 0.121 61.435 61.300 0.023 0.000 1.297 66 I CB -0.154 37.842 38.000 -0.007 0.000 1.487 66 I HN 0.523 nan 8.210 nan 0.000 0.564 67 E N 5.922 126.146 120.200 0.040 0.000 2.408 67 E HA 0.422 4.673 4.350 -0.166 0.000 0.275 67 E C -2.609 173.982 176.600 -0.014 0.000 0.935 67 E CA -2.035 54.369 56.400 0.007 0.000 0.775 67 E CB 2.222 31.931 29.700 0.015 0.000 1.277 67 E HN 0.015 nan 8.360 nan 0.000 0.455 68 P HA 0.025 nan 4.420 nan 0.000 0.261 68 P C 0.126 177.425 177.300 -0.002 0.000 1.173 68 P CA 0.554 63.633 63.100 -0.034 0.000 0.760 68 P CB 0.169 31.832 31.700 -0.062 0.000 0.783 69 I N 3.826 124.401 120.570 0.009 0.000 2.280 69 I HA 0.038 4.108 4.170 -0.166 0.000 0.287 69 I C 1.152 177.297 176.117 0.047 0.000 1.121 69 I CA 0.178 61.487 61.300 0.016 0.000 1.798 69 I CB -0.898 37.101 38.000 -0.001 0.000 1.489 69 I HN 0.382 nan 8.210 nan 0.000 0.805 70 H N 4.922 123.964 119.070 -0.047 0.000 2.495 70 H HA 0.037 4.493 4.556 -0.167 0.000 0.348 70 H C 0.676 175.981 175.328 -0.038 0.000 1.113 70 H CA -0.906 55.119 56.048 -0.039 0.000 1.195 70 H CB 1.294 30.995 29.762 -0.102 0.000 1.521 70 H HN 0.568 nan 8.280 nan 0.000 0.509 71 W N 5.512 126.585 121.300 -0.379 0.000 2.290 71 W HA -0.196 4.364 4.660 -0.167 0.000 0.311 71 W C 0.494 177.012 176.519 -0.002 0.000 1.238 71 W CA 1.423 58.659 57.345 -0.182 0.000 1.255 71 W CB -0.455 28.870 29.460 -0.224 0.000 1.145 71 W HN 0.660 nan 8.180 nan 0.000 0.506 72 E N 0.678 120.440 120.200 -0.731 0.000 2.153 72 E HA -0.159 4.091 4.350 -0.166 0.000 0.194 72 E C 2.378 178.795 176.600 -0.304 0.000 0.988 72 E CA 1.743 57.694 56.400 -0.749 0.000 0.811 72 E CB -0.193 29.073 29.700 -0.724 0.000 0.746 72 E HN 0.196 nan 8.360 nan 0.000 0.466 73 V N 0.755 120.582 119.914 -0.145 0.000 2.379 73 V HA -0.197 3.823 4.120 -0.166 0.000 0.245 73 V C 2.356 178.349 176.094 -0.169 0.000 1.044 73 V CA 1.088 63.296 62.300 -0.153 0.000 1.036 73 V CB -0.228 31.530 31.823 -0.108 0.000 0.664 73 V HN 0.109 nan 8.190 nan 0.000 0.453 74 V N 0.249 120.099 119.914 -0.107 0.000 2.287 74 V HA -0.336 3.685 4.120 -0.166 0.000 0.248 74 V C 2.539 178.536 176.094 -0.162 0.000 1.053 74 V CA 2.550 64.781 62.300 -0.115 0.000 1.027 74 V CB -0.897 30.908 31.823 -0.031 0.000 0.646 74 V HN 0.497 nan 8.190 nan 0.000 0.447 75 R N 0.121 120.559 120.500 -0.105 0.000 2.112 75 R HA -0.248 3.992 4.340 -0.166 0.000 0.242 75 R C 2.497 178.630 176.300 -0.279 0.000 1.137 75 R CA 1.956 57.974 56.100 -0.137 0.000 0.944 75 R CB -0.222 30.062 30.300 -0.027 0.000 0.857 75 R HN 0.359 nan 8.270 nan 0.000 0.435 76 K N 0.556 120.811 120.400 -0.241 0.000 2.032 76 K HA -0.146 4.074 4.320 -0.166 0.000 0.209 76 K C 2.123 178.523 176.600 -0.332 0.000 1.048 76 K CA 1.510 57.644 56.287 -0.255 0.000 0.927 76 K CB -0.471 31.899 32.500 -0.216 0.000 0.712 76 K HN 0.373 nan 8.250 nan 0.000 0.441 77 I N 0.781 121.115 120.570 -0.392 0.000 2.264 77 I HA -0.280 3.790 4.170 -0.166 0.000 0.248 77 I C 2.378 178.262 176.117 -0.388 0.000 1.111 77 I CA 1.240 62.220 61.300 -0.533 0.000 1.382 77 I CB -0.407 37.239 38.000 -0.590 0.000 1.060 77 I HN 0.086 nan 8.210 nan 0.000 0.418 78 I N 0.417 120.763 120.570 -0.374 0.000 2.202 78 I HA -0.244 3.826 4.170 -0.166 0.000 0.242 78 I C 2.762 178.533 176.117 -0.577 0.000 1.091 78 I CA 1.087 62.144 61.300 -0.406 0.000 1.368 78 I CB -0.370 37.379 38.000 -0.417 0.000 1.058 78 I HN 0.232 nan 8.210 nan 0.000 0.410 79 E N 1.782 121.495 120.200 -0.811 0.000 2.077 79 E HA -0.291 3.959 4.350 -0.166 0.000 0.193 79 E C 2.043 178.511 176.600 -0.221 0.000 0.989 79 E CA 1.629 57.597 56.400 -0.720 0.000 0.800 79 E CB -0.080 29.296 29.700 -0.540 0.000 0.746 79 E HN 0.406 nan 8.360 nan 0.000 0.452 80 K N -0.031 120.251 120.400 -0.197 0.000 2.103 80 K HA -0.085 4.136 4.320 -0.166 0.000 0.204 80 K C 1.735 178.311 176.600 -0.041 0.000 1.052 80 K CA 1.239 57.473 56.287 -0.088 0.000 0.945 80 K CB 0.148 32.592 32.500 -0.093 0.000 0.722 80 K HN -0.009 nan 8.250 nan 0.000 0.443 81 E N 0.351 120.509 120.200 -0.070 0.000 2.415 81 E HA 0.027 4.277 4.350 -0.166 0.000 0.197 81 E C -0.213 176.391 176.600 0.006 0.000 1.007 81 E CA -0.028 56.371 56.400 -0.001 0.000 0.890 81 E CB 0.447 30.176 29.700 0.048 0.000 0.891 81 E HN 0.199 nan 8.360 nan 0.000 0.496 82 R N 1.107 121.592 120.500 -0.026 0.000 3.301 82 R HA -0.137 4.103 4.340 -0.166 0.000 0.249 82 R C -2.233 174.096 176.300 0.049 0.000 0.964 82 R CA 0.480 56.601 56.100 0.035 0.000 0.653 82 R CB -2.428 27.928 30.300 0.093 0.000 1.043 82 R HN 0.279 nan 8.270 nan 0.000 0.454 83 P HA -0.008 nan 4.420 nan 0.000 0.267 83 P C 0.481 177.811 177.300 0.051 0.000 1.200 83 P CA 0.040 63.163 63.100 0.039 0.000 0.772 83 P CB 0.589 32.300 31.700 0.020 0.000 0.855 84 D N 0.436 120.870 120.400 0.056 0.000 2.234 84 D HA 0.090 4.630 4.640 -0.166 0.000 0.205 84 D C 0.816 177.142 176.300 0.042 0.000 0.962 84 D CA 1.168 55.202 54.000 0.056 0.000 0.855 84 D CB 0.373 41.212 40.800 0.064 0.000 0.951 84 D HN 0.513 nan 8.370 nan 0.000 0.500 85 A N -0.185 122.652 122.820 0.028 0.000 2.602 85 A HA 0.557 4.777 4.320 -0.166 0.000 0.290 85 A C -1.596 175.989 177.584 0.001 0.000 1.114 85 A CA -0.589 51.455 52.037 0.012 0.000 0.683 85 A CB 2.124 21.120 19.000 -0.006 0.000 1.281 85 A HN -0.059 nan 8.150 nan 0.000 0.416 86 V N 0.644 120.557 119.914 -0.002 0.000 2.656 86 V HA 0.733 4.753 4.120 -0.166 0.000 0.307 86 V C -1.667 174.419 176.094 -0.013 0.000 1.051 86 V CA -0.656 61.640 62.300 -0.007 0.000 0.893 86 V CB 1.473 33.296 31.823 -0.001 0.000 0.999 86 V HN 1.211 nan 8.190 nan 0.000 0.426 87 L N 9.852 131.065 121.223 -0.018 0.000 2.283 87 L HA 0.732 4.972 4.340 -0.166 0.000 0.281 87 L C -2.085 174.777 176.870 -0.013 0.000 1.033 87 L CA -1.310 53.519 54.840 -0.018 0.000 0.848 87 L CB 1.875 43.917 42.059 -0.028 0.000 1.226 87 L HN 0.544 nan 8.230 nan 0.000 0.429 88 P HA 0.105 nan 4.420 nan 0.000 0.268 88 P C 0.501 177.787 177.300 -0.024 0.000 1.329 88 P CA 0.207 63.297 63.100 -0.017 0.000 0.899 88 P CB 0.178 31.873 31.700 -0.008 0.000 1.378 89 T N -4.710 109.837 114.554 -0.012 0.000 3.122 89 T HA 0.236 4.486 4.350 -0.166 0.000 0.250 89 T C 1.134 175.840 174.700 0.009 0.000 1.067 89 T CA -0.005 62.092 62.100 -0.006 0.000 0.966 89 T CB -0.423 68.454 68.868 0.015 0.000 1.002 89 T HN -0.129 nan 8.240 nan 0.000 0.542 90 M N 0.997 120.597 119.600 0.000 0.000 2.405 90 M HA 0.400 4.780 4.480 -0.166 0.000 0.292 90 M C 1.229 177.534 176.300 0.007 0.000 1.111 90 M CA 0.016 55.348 55.300 0.053 0.000 0.979 90 M CB 0.708 33.337 32.600 0.049 0.000 1.426 90 M HN 0.431 nan 8.290 nan 0.000 0.509 91 G N 0.075 108.765 108.800 -0.184 0.000 4.432 91 G HA2 0.492 4.352 3.960 -0.166 0.000 0.294 91 G HA3 0.492 4.352 3.960 -0.166 0.000 0.294 91 G C 0.737 175.192 174.900 -0.742 0.000 1.141 91 G CA 0.120 45.006 45.100 -0.357 0.000 0.895 91 G HN 0.568 nan 8.290 nan 0.000 0.548 92 G N 0.720 108.772 108.800 -1.247 0.000 2.569 92 G HA2 -0.336 3.524 3.960 -0.166 0.000 0.259 92 G HA3 -0.336 3.524 3.960 -0.166 0.000 0.259 92 G C 0.884 175.536 174.900 -0.413 0.000 1.263 92 G CA 0.695 45.134 45.100 -1.102 0.000 0.928 92 G HN 0.622 nan 8.290 nan 0.000 0.572 93 Q N -1.058 118.587 119.800 -0.259 0.000 2.187 93 Q HA 0.102 4.342 4.340 -0.166 0.000 0.199 93 Q C 2.805 178.753 176.000 -0.086 0.000 0.957 93 Q CA 2.582 58.316 55.803 -0.115 0.000 0.857 93 Q CB -0.550 28.152 28.738 -0.060 0.000 0.929 93 Q HN 0.706 nan 8.270 nan 0.000 0.453 94 T N 0.279 114.759 114.554 -0.124 0.000 2.607 94 T HA -0.231 4.019 4.350 -0.166 0.000 0.267 94 T C 1.691 176.346 174.700 -0.076 0.000 1.049 94 T CA 1.735 63.785 62.100 -0.084 0.000 1.162 94 T CB -0.703 68.109 68.868 -0.093 0.000 0.863 94 T HN 0.492 nan 8.240 nan 0.000 0.424 95 A N 1.187 123.936 122.820 -0.118 0.000 1.883 95 A HA -0.045 4.175 4.320 -0.166 0.000 0.217 95 A C 2.342 179.897 177.584 -0.049 0.000 1.186 95 A CA 1.435 53.420 52.037 -0.086 0.000 0.624 95 A CB -0.966 17.966 19.000 -0.113 0.000 0.822 95 A HN 0.507 nan 8.150 nan 0.000 0.444 96 L N -0.452 120.742 121.223 -0.047 0.000 2.131 96 L HA -0.207 4.034 4.340 -0.166 0.000 0.210 96 L C 2.274 179.186 176.870 0.069 0.000 1.092 96 L CA 1.202 56.052 54.840 0.016 0.000 0.759 96 L CB -0.689 41.388 42.059 0.030 0.000 0.903 96 L HN 0.377 nan 8.230 nan 0.000 0.435 97 N N -0.603 118.126 118.700 0.048 0.000 2.135 97 N HA -0.161 4.480 4.740 -0.166 0.000 0.186 97 N C 1.911 177.400 175.510 -0.035 0.000 1.027 97 N CA 1.303 54.371 53.050 0.030 0.000 0.849 97 N CB -0.742 37.754 38.487 0.015 0.000 1.002 97 N HN 0.291 nan 8.380 nan 0.000 0.425 98 C N 1.062 120.344 119.300 -0.029 0.000 2.413 98 C HA -0.065 4.295 4.460 -0.166 0.000 0.278 98 C C 2.775 177.747 174.990 -0.029 0.000 1.224 98 C CA 1.333 60.334 59.018 -0.028 0.000 1.732 98 C CB -1.276 26.456 27.740 -0.014 0.000 2.050 98 C HN 0.498 nan 8.230 nan 0.000 0.463 99 A N 0.144 122.954 122.820 -0.016 0.000 1.869 99 A HA -0.210 4.010 4.320 -0.166 0.000 0.218 99 A C 1.932 179.497 177.584 -0.032 0.000 1.203 99 A CA 2.324 54.353 52.037 -0.012 0.000 0.638 99 A CB -0.918 18.083 19.000 0.002 0.000 0.831 99 A HN 0.578 nan 8.150 nan 0.000 0.450 100 L N -0.642 120.561 121.223 -0.033 0.000 2.265 100 L HA -0.102 4.138 4.340 -0.166 0.000 0.215 100 L C 2.322 179.098 176.870 -0.158 0.000 1.117 100 L CA 1.959 56.754 54.840 -0.075 0.000 0.782 100 L CB -0.593 41.432 42.059 -0.057 0.000 0.914 100 L HN 0.558 nan 8.230 nan 0.000 0.441 101 E N 0.015 120.106 120.200 -0.180 0.000 2.046 101 E HA -0.145 4.106 4.350 -0.166 0.000 0.190 101 E C 2.191 178.592 176.600 -0.331 0.000 0.982 101 E CA 1.171 57.390 56.400 -0.302 0.000 0.800 101 E CB -0.243 29.266 29.700 -0.319 0.000 0.756 101 E HN 0.376 nan 8.360 nan 0.000 0.449 102 L N 0.599 121.723 121.223 -0.165 0.000 2.042 102 L HA -0.219 4.021 4.340 -0.166 0.000 0.210 102 L C 2.617 179.431 176.870 -0.094 0.000 1.076 102 L CA 1.887 56.683 54.840 -0.074 0.000 0.749 102 L CB -0.588 41.485 42.059 0.023 0.000 0.893 102 L HN 0.280 nan 8.230 nan 0.000 0.432 103 E N 0.576 120.721 120.200 -0.091 0.000 2.058 103 E HA -0.275 3.976 4.350 -0.166 0.000 0.194 103 E C 2.342 178.875 176.600 -0.113 0.000 0.997 103 E CA 1.382 57.739 56.400 -0.073 0.000 0.801 103 E CB -0.203 29.465 29.700 -0.054 0.000 0.746 103 E HN 0.178 nan 8.360 nan 0.000 0.450 104 R N -0.458 119.937 120.500 -0.175 0.000 2.152 104 R HA -0.075 4.165 4.340 -0.166 0.000 0.232 104 R C 1.550 177.700 176.300 -0.250 0.000 1.117 104 R CA 1.372 57.347 56.100 -0.209 0.000 0.981 104 R CB 0.070 30.216 30.300 -0.256 0.000 0.870 104 R HN 0.349 nan 8.270 nan 0.000 0.451 105 Q N -1.002 118.597 119.800 -0.335 0.000 2.320 105 Q HA 0.090 4.330 4.340 -0.166 0.000 0.201 105 Q C 0.882 176.806 176.000 -0.127 0.000 0.910 105 Q CA 0.700 56.290 55.803 -0.356 0.000 0.946 105 Q CB 1.222 29.491 28.738 -0.782 0.000 1.062 105 Q HN 0.586 nan 8.270 nan 0.000 0.503 106 G N 0.532 109.284 108.800 -0.079 0.000 2.189 106 G HA2 -0.325 3.535 3.960 -0.166 0.000 0.267 106 G HA3 -0.325 3.535 3.960 -0.166 0.000 0.267 106 G C 1.026 175.960 174.900 0.057 0.000 0.975 106 G CA 0.578 45.670 45.100 -0.014 0.000 0.644 106 G HN 0.317 nan 8.290 nan 0.000 0.537 107 V N 0.702 120.679 119.914 0.105 0.000 2.490 107 V HA -0.157 3.864 4.120 -0.166 0.000 0.250 107 V C 2.866 179.114 176.094 0.257 0.000 1.061 107 V CA 2.253 64.702 62.300 0.249 0.000 1.064 107 V CB -0.432 31.547 31.823 0.261 0.000 0.670 107 V HN 0.539 nan 8.190 nan 0.000 0.461 108 L N -0.137 121.165 121.223 0.132 0.000 2.156 108 L HA -0.123 4.118 4.340 -0.166 0.000 0.208 108 L C 2.536 179.465 176.870 0.097 0.000 1.095 108 L CA 1.788 56.694 54.840 0.109 0.000 0.770 108 L CB -0.514 41.576 42.059 0.051 0.000 0.914 108 L HN 0.426 nan 8.230 nan 0.000 0.439 109 E N 0.960 121.196 120.200 0.061 0.000 2.051 109 E HA -0.269 3.982 4.350 -0.166 0.000 0.189 109 E C 2.098 178.697 176.600 -0.002 0.000 0.979 109 E CA 1.089 57.503 56.400 0.024 0.000 0.803 109 E CB 0.004 29.704 29.700 0.000 0.000 0.761 109 E HN 0.426 nan 8.360 nan 0.000 0.451 110 E N -0.777 119.410 120.200 -0.021 0.000 2.160 110 E HA -0.193 4.057 4.350 -0.166 0.000 0.195 110 E C 0.808 177.178 176.600 -0.383 0.000 0.991 110 E CA 1.134 57.411 56.400 -0.205 0.000 0.810 110 E CB -0.069 29.499 29.700 -0.221 0.000 0.742 110 E HN 0.403 nan 8.360 nan 0.000 0.466 111 F N -0.734 119.224 119.950 0.013 0.000 2.661 111 F HA 0.347 4.774 4.527 -0.166 0.000 0.306 111 F C 1.139 176.945 175.800 0.011 0.000 1.094 111 F CA 0.189 58.196 58.000 0.013 0.000 1.254 111 F CB 1.297 40.306 39.000 0.014 0.000 1.040 111 F HN 0.082 nan 8.300 nan 0.000 0.562 112 G N 1.825 110.693 108.800 0.114 0.000 2.366 112 G HA2 -0.263 3.598 3.960 -0.166 0.000 0.299 112 G HA3 -0.263 3.598 3.960 -0.166 0.000 0.299 112 G C -0.132 174.818 174.900 0.083 0.000 1.020 112 G CA 0.151 45.293 45.100 0.071 0.000 1.026 112 G HN 0.162 nan 8.290 nan 0.000 0.512 113 V N 0.778 120.751 119.914 0.098 0.000 2.432 113 V HA 0.433 4.453 4.120 -0.166 0.000 0.271 113 V C 0.976 177.098 176.094 0.046 0.000 1.046 113 V CA 0.022 62.367 62.300 0.074 0.000 0.945 113 V CB 1.247 33.116 31.823 0.076 0.000 0.992 113 V HN 0.386 nan 8.190 nan 0.000 0.471 114 T N 6.539 121.114 114.554 0.034 0.000 2.845 114 T HA 0.404 4.654 4.350 -0.166 0.000 0.288 114 T C -0.032 174.676 174.700 0.013 0.000 0.980 114 T CA -0.313 61.800 62.100 0.022 0.000 1.071 114 T CB 1.017 69.897 68.868 0.020 0.000 0.941 114 T HN 0.610 nan 8.240 nan 0.000 0.487 115 M N 5.218 124.825 119.600 0.011 0.000 2.077 115 M HA 0.433 4.814 4.480 -0.166 0.000 0.348 115 M C -0.543 175.758 176.300 0.002 0.000 1.252 115 M CA -0.537 54.767 55.300 0.006 0.000 1.096 115 M CB -0.145 32.460 32.600 0.009 0.000 1.568 115 M HN 0.614 nan 8.290 nan 0.000 0.456 116 I N 0.606 121.173 120.570 -0.006 0.000 2.863 116 I HA 0.920 4.990 4.170 -0.166 0.000 0.311 116 I C 0.732 176.846 176.117 -0.006 0.000 1.026 116 I CA -0.246 61.048 61.300 -0.010 0.000 1.077 116 I CB 1.782 39.764 38.000 -0.029 0.000 1.262 116 I HN 0.820 nan 8.210 nan 0.000 0.461 117 G N 3.138 111.939 108.800 0.001 0.000 3.206 117 G HA2 -0.093 3.768 3.960 -0.166 0.000 0.217 117 G HA3 -0.093 3.768 3.960 -0.166 0.000 0.217 117 G C 0.146 175.056 174.900 0.016 0.000 1.350 117 G CA 0.330 45.437 45.100 0.011 0.000 0.836 117 G HN 1.789 nan 8.290 nan 0.000 0.548 118 A N -0.303 122.525 122.820 0.012 0.000 2.517 118 A HA 0.862 5.082 4.320 -0.166 0.000 0.297 118 A C -0.010 177.583 177.584 0.015 0.000 1.050 118 A CA 0.984 53.030 52.037 0.015 0.000 0.694 118 A CB 1.040 20.049 19.000 0.015 0.000 1.277 118 A HN 1.982 nan 8.150 nan 0.000 0.400 119 T N -0.283 114.281 114.554 0.017 0.000 2.904 119 T HA 0.538 4.788 4.350 -0.166 0.000 0.290 119 T C 1.425 176.140 174.700 0.025 0.000 1.018 119 T CA 0.256 62.367 62.100 0.018 0.000 1.075 119 T CB 1.380 70.257 68.868 0.016 0.000 0.986 119 T HN 1.809 nan 8.240 nan 0.000 0.523 120 A N 1.355 124.189 122.820 0.024 0.000 1.986 120 A HA -0.138 4.082 4.320 -0.166 0.000 0.220 120 A C 1.999 179.612 177.584 0.048 0.000 1.171 120 A CA 2.252 54.310 52.037 0.035 0.000 0.640 120 A CB -1.191 17.820 19.000 0.019 0.000 0.811 120 A HN 1.008 nan 8.150 nan 0.000 0.451 121 D N -0.845 119.576 120.400 0.035 0.000 2.137 121 D HA 0.103 4.643 4.640 -0.166 0.000 0.202 121 D C 2.097 178.422 176.300 0.042 0.000 0.970 121 D CA 1.352 55.375 54.000 0.039 0.000 0.837 121 D CB -0.225 40.590 40.800 0.025 0.000 0.981 121 D HN 0.312 nan 8.370 nan 0.000 0.475 122 A N 0.366 123.205 122.820 0.032 0.000 1.902 122 A HA -0.133 4.088 4.320 -0.166 0.000 0.217 122 A C 2.407 180.008 177.584 0.028 0.000 1.181 122 A CA 1.184 53.239 52.037 0.029 0.000 0.623 122 A CB -0.879 18.134 19.000 0.023 0.000 0.818 122 A HN 0.369 nan 8.150 nan 0.000 0.443 123 I N -0.418 120.170 120.570 0.030 0.000 2.208 123 I HA -0.277 3.794 4.170 -0.166 0.000 0.245 123 I C 2.261 178.380 176.117 0.004 0.000 1.097 123 I CA 2.048 63.356 61.300 0.013 0.000 1.363 123 I CB -0.377 37.649 38.000 0.043 0.000 1.051 123 I HN 0.446 nan 8.210 nan 0.000 0.413 124 D N 0.663 121.125 120.400 0.103 0.000 2.178 124 D HA -0.212 4.328 4.640 -0.166 0.000 0.202 124 D C 2.194 178.542 176.300 0.081 0.000 0.974 124 D CA 1.146 55.257 54.000 0.185 0.000 0.841 124 D CB 0.084 41.017 40.800 0.222 0.000 0.953 124 D HN 0.081 nan 8.370 nan 0.000 0.478 125 K N -0.669 119.767 120.400 0.059 0.000 2.148 125 K HA -0.006 4.214 4.320 -0.166 0.000 0.204 125 K C 1.822 178.492 176.600 0.116 0.000 1.050 125 K CA 1.010 57.339 56.287 0.069 0.000 0.942 125 K CB 0.022 32.551 32.500 0.049 0.000 0.724 125 K HN 0.162 nan 8.250 nan 0.000 0.446 126 A N 0.529 123.386 122.820 0.062 0.000 2.030 126 A HA -0.017 4.203 4.320 -0.166 0.000 0.215 126 A C 1.630 179.091 177.584 -0.205 0.000 1.164 126 A CA 0.698 52.765 52.037 0.050 0.000 0.697 126 A CB 0.028 19.018 19.000 -0.016 0.000 0.827 126 A HN 0.150 nan 8.150 nan 0.000 0.457 127 E N 0.484 120.461 120.200 -0.371 0.000 2.140 127 E HA -0.051 4.200 4.350 -0.166 0.000 0.191 127 E C -0.037 176.242 176.600 -0.535 0.000 0.973 127 E CA 0.249 56.187 56.400 -0.771 0.000 0.829 127 E CB -0.244 28.390 29.700 -1.777 0.000 0.781 127 E HN 0.529 nan 8.360 nan 0.000 0.466 128 D N 1.619 121.901 120.400 -0.197 0.000 2.344 128 D HA -0.000 4.540 4.640 -0.166 0.000 0.253 128 D C 0.971 177.307 176.300 0.060 0.000 1.255 128 D CA -0.059 53.990 54.000 0.081 0.000 0.894 128 D CB 0.537 41.457 40.800 0.199 0.000 1.067 128 D HN -0.072 nan 8.370 nan 0.000 0.492 129 R N 3.450 123.972 120.500 0.036 0.000 2.127 129 R HA -0.162 4.079 4.340 -0.166 0.000 0.238 129 R C 2.058 178.428 176.300 0.116 0.000 1.134 129 R CA 0.647 56.779 56.100 0.053 0.000 0.975 129 R CB -0.140 30.158 30.300 -0.004 0.000 0.865 129 R HN 0.482 nan 8.270 nan 0.000 0.447 130 R N 1.304 121.863 120.500 0.098 0.000 2.066 130 R HA -0.072 4.168 4.340 -0.166 0.000 0.232 130 R C 2.330 178.679 176.300 0.083 0.000 1.131 130 R CA 1.235 57.387 56.100 0.086 0.000 0.955 130 R CB -0.018 30.338 30.300 0.094 0.000 0.851 130 R HN 0.152 nan 8.270 nan 0.000 0.432 131 R N -0.494 120.062 120.500 0.094 0.000 2.080 131 R HA -0.186 4.055 4.340 -0.166 0.000 0.236 131 R C 2.254 178.589 176.300 0.058 0.000 1.137 131 R CA 1.891 58.033 56.100 0.070 0.000 0.943 131 R CB -0.610 29.740 30.300 0.083 0.000 0.846 131 R HN 0.244 nan 8.270 nan 0.000 0.431 132 F N 1.985 121.916 119.950 -0.031 0.000 2.161 132 F HA -0.257 4.171 4.527 -0.165 0.000 0.300 132 F C 1.880 177.655 175.800 -0.042 0.000 1.089 132 F CA 2.081 60.052 58.000 -0.049 0.000 1.282 132 F CB -0.248 38.708 39.000 -0.074 0.000 1.010 132 F HN 0.019 nan 8.300 nan 0.000 0.485 133 D N -0.572 119.881 120.400 0.089 0.000 2.219 133 D HA -0.141 4.399 4.640 -0.166 0.000 0.205 133 D C 2.008 178.254 176.300 -0.090 0.000 0.970 133 D CA 1.281 55.283 54.000 0.002 0.000 0.851 133 D CB 0.045 40.881 40.800 0.060 0.000 0.943 133 D HN 0.204 nan 8.370 nan 0.000 0.488 134 V N 0.494 120.363 119.914 -0.076 0.000 2.488 134 V HA -0.080 3.940 4.120 -0.166 0.000 0.246 134 V C 2.569 178.588 176.094 -0.125 0.000 1.046 134 V CA 1.391 63.646 62.300 -0.075 0.000 1.053 134 V CB -0.848 30.954 31.823 -0.036 0.000 0.679 134 V HN 0.290 nan 8.190 nan 0.000 0.458 135 A N 0.080 122.783 122.820 -0.194 0.000 1.908 135 A HA -0.223 3.997 4.320 -0.166 0.000 0.218 135 A C 2.226 179.657 177.584 -0.255 0.000 1.181 135 A CA 2.069 53.968 52.037 -0.230 0.000 0.627 135 A CB -0.469 18.340 19.000 -0.318 0.000 0.818 135 A HN 0.400 nan 8.150 nan 0.000 0.445 136 M N -0.514 118.874 119.600 -0.353 0.000 2.175 136 M HA -0.080 4.300 4.480 -0.166 0.000 0.264 136 M C 2.042 178.257 176.300 -0.141 0.000 1.063 136 M CA 1.816 56.951 55.300 -0.275 0.000 1.119 136 M CB -1.135 31.287 32.600 -0.296 0.000 1.377 136 M HN 0.578 nan 8.290 nan 0.000 0.415 137 K N 0.607 120.935 120.400 -0.120 0.000 2.097 137 K HA -0.167 4.054 4.320 -0.166 0.000 0.205 137 K C 2.151 178.715 176.600 -0.059 0.000 1.050 137 K CA 1.211 57.457 56.287 -0.069 0.000 0.938 137 K CB 0.025 32.494 32.500 -0.053 0.000 0.718 137 K HN 0.187 nan 8.250 nan 0.000 0.442 138 K N 1.399 121.756 120.400 -0.072 0.000 2.057 138 K HA -0.128 4.092 4.320 -0.166 0.000 0.207 138 K C 1.948 178.518 176.600 -0.050 0.000 1.049 138 K CA 1.682 57.936 56.287 -0.056 0.000 0.931 138 K CB -0.215 32.250 32.500 -0.058 0.000 0.714 138 K HN 0.430 nan 8.250 nan 0.000 0.440 139 I N -3.046 117.485 120.570 -0.065 0.000 3.684 139 I HA 0.249 4.320 4.170 -0.166 0.000 0.304 139 I C 0.815 176.912 176.117 -0.034 0.000 1.278 139 I CA 0.664 61.935 61.300 -0.049 0.000 1.272 139 I CB 0.044 38.010 38.000 -0.057 0.000 1.029 139 I HN 0.335 nan 8.210 nan 0.000 0.458 140 G N 1.902 110.681 108.800 -0.034 0.000 2.159 140 G HA2 -0.239 3.621 3.960 -0.166 0.000 0.256 140 G HA3 -0.239 3.621 3.960 -0.166 0.000 0.256 140 G C 0.061 174.956 174.900 -0.007 0.000 0.977 140 G CA 0.255 45.345 45.100 -0.017 0.000 0.652 140 G HN 0.429 nan 8.290 nan 0.000 0.531 141 L N 0.355 121.568 121.223 -0.017 0.000 2.375 141 L HA 0.544 4.784 4.340 -0.166 0.000 0.271 141 L C 0.796 177.674 176.870 0.013 0.000 1.107 141 L CA -0.629 54.218 54.840 0.012 0.000 0.806 141 L CB 1.195 43.269 42.059 0.026 0.000 1.146 141 L HN 0.293 nan 8.230 nan 0.000 0.447 142 E N 1.279 121.510 120.200 0.050 0.000 2.283 142 E HA 0.295 4.546 4.350 -0.166 0.000 0.278 142 E C -0.643 175.992 176.600 0.058 0.000 1.027 142 E CA -0.458 55.974 56.400 0.054 0.000 0.843 142 E CB 1.161 30.911 29.700 0.084 0.000 1.062 142 E HN 0.659 nan 8.360 nan 0.000 0.401 143 T N 0.474 115.048 114.554 0.034 0.000 2.926 143 T HA 0.743 4.994 4.350 -0.166 0.000 0.289 143 T C -0.067 174.637 174.700 0.005 0.000 1.054 143 T CA -0.776 61.343 62.100 0.031 0.000 1.015 143 T CB 1.476 70.365 68.868 0.035 0.000 1.167 143 T HN 0.485 nan 8.240 nan 0.000 0.526 144 A N 1.068 123.874 122.820 -0.023 0.000 2.366 144 A HA 0.554 4.775 4.320 -0.166 0.000 0.249 144 A C 0.611 178.169 177.584 -0.043 0.000 1.084 144 A CA -0.663 51.335 52.037 -0.064 0.000 0.794 144 A CB -0.008 18.923 19.000 -0.115 0.000 1.034 144 A HN 0.994 nan 8.150 nan 0.000 0.491 145 R N 0.508 120.978 120.500 -0.050 0.000 2.489 145 R HA 0.357 4.597 4.340 -0.166 0.000 0.287 145 R C -0.133 176.141 176.300 -0.043 0.000 1.053 145 R CA 0.999 57.076 56.100 -0.039 0.000 1.036 145 R CB 0.131 30.406 30.300 -0.041 0.000 0.966 145 R HN 1.018 nan 8.270 nan 0.000 0.432 146 S N 1.697 117.378 115.700 -0.031 0.000 2.661 146 S HA 0.740 5.110 4.470 -0.166 0.000 0.268 146 S C -0.730 173.857 174.600 -0.022 0.000 1.162 146 S CA -0.606 57.576 58.200 -0.029 0.000 0.817 146 S CB 1.533 64.721 63.200 -0.020 0.000 1.141 146 S HN 0.753 nan 8.310 nan 0.000 0.477 147 G N -0.371 108.418 108.800 -0.019 0.000 2.660 147 G HA2 0.658 4.518 3.960 -0.166 0.000 0.294 147 G HA3 0.658 4.518 3.960 -0.166 0.000 0.294 147 G C -1.665 173.218 174.900 -0.029 0.000 1.369 147 G CA -0.657 44.432 45.100 -0.019 0.000 0.912 147 G HN 0.591 nan 8.290 nan 0.000 0.479 148 I N 0.599 121.139 120.570 -0.049 0.000 2.498 148 I HA 0.745 4.816 4.170 -0.166 0.000 0.301 148 I C 0.286 176.278 176.117 -0.208 0.000 0.984 148 I CA -0.721 60.506 61.300 -0.121 0.000 1.204 148 I CB 1.574 39.514 38.000 -0.100 0.000 1.362 148 I HN 0.692 nan 8.210 nan 0.000 0.471 149 A N 4.596 127.205 122.820 -0.352 0.000 2.486 149 A HA 0.635 4.856 4.320 -0.166 0.000 0.300 149 A C -0.762 176.472 177.584 -0.583 0.000 1.048 149 A CA -0.378 51.451 52.037 -0.348 0.000 0.696 149 A CB 0.933 19.864 19.000 -0.115 0.000 1.278 149 A HN 0.867 nan 8.150 nan 0.000 0.405 150 H N 0.094 119.176 119.070 0.019 0.000 3.058 150 H HA 0.264 4.720 4.556 -0.166 0.000 0.258 150 H C 0.676 176.012 175.328 0.012 0.000 1.015 150 H CA 0.931 56.987 56.048 0.013 0.000 1.210 150 H CB 1.158 30.928 29.762 0.012 0.000 1.481 150 H HN 0.782 nan 8.280 nan 0.000 0.492 151 T N -3.129 111.474 114.554 0.082 0.000 2.864 151 T HA 0.200 4.450 4.350 -0.166 0.000 0.299 151 T C 0.889 175.616 174.700 0.046 0.000 1.166 151 T CA -0.912 61.227 62.100 0.065 0.000 1.007 151 T CB 1.949 70.863 68.868 0.075 0.000 1.219 151 T HN -0.055 nan 8.240 nan 0.000 0.506 152 M N 1.173 120.803 119.600 0.049 0.000 2.080 152 M HA -0.036 4.344 4.480 -0.166 0.000 0.260 152 M C 2.183 178.546 176.300 0.106 0.000 1.068 152 M CA 2.104 57.444 55.300 0.067 0.000 1.109 152 M CB -0.994 31.643 32.600 0.062 0.000 1.342 152 M HN 0.886 nan 8.290 nan 0.000 0.405 153 E N 0.323 120.572 120.200 0.082 0.000 2.070 153 E HA -0.275 3.975 4.350 -0.166 0.000 0.197 153 E C 1.823 178.470 176.600 0.077 0.000 1.004 153 E CA 2.132 58.577 56.400 0.076 0.000 0.805 153 E CB -0.501 29.233 29.700 0.056 0.000 0.744 153 E HN 0.744 nan 8.360 nan 0.000 0.451 154 E N 0.252 120.494 120.200 0.069 0.000 2.058 154 E HA -0.203 4.047 4.350 -0.166 0.000 0.194 154 E C 2.114 178.761 176.600 0.077 0.000 0.997 154 E CA 1.280 57.713 56.400 0.055 0.000 0.801 154 E CB -0.220 29.503 29.700 0.038 0.000 0.746 154 E HN 0.418 nan 8.360 nan 0.000 0.450 155 A N 1.247 124.139 122.820 0.120 0.000 1.859 155 A HA -0.223 3.997 4.320 -0.166 0.000 0.217 155 A C 2.228 180.043 177.584 0.387 0.000 1.198 155 A CA 1.519 53.715 52.037 0.265 0.000 0.629 155 A CB -0.977 18.147 19.000 0.206 0.000 0.830 155 A HN 0.174 nan 8.150 nan 0.000 0.446 156 L N -0.646 120.780 121.223 0.338 0.000 2.089 156 L HA -0.279 3.961 4.340 -0.166 0.000 0.213 156 L C 3.019 179.858 176.870 -0.052 0.000 1.079 156 L CA 1.285 56.190 54.840 0.108 0.000 0.758 156 L CB -0.577 41.551 42.059 0.116 0.000 0.891 156 L HN 0.472 nan 8.230 nan 0.000 0.433 157 A N -0.477 122.345 122.820 0.004 0.000 1.873 157 A HA -0.121 4.100 4.320 -0.166 0.000 0.215 157 A C 2.352 179.893 177.584 -0.072 0.000 1.186 157 A CA 1.666 53.681 52.037 -0.036 0.000 0.616 157 A CB -0.807 18.189 19.000 -0.005 0.000 0.823 157 A HN 0.166 nan 8.150 nan 0.000 0.442 158 V N 0.109 120.004 119.914 -0.031 0.000 2.287 158 V HA -0.292 3.728 4.120 -0.166 0.000 0.248 158 V C 3.068 179.064 176.094 -0.163 0.000 1.053 158 V CA 2.020 64.288 62.300 -0.052 0.000 1.027 158 V CB -1.359 30.474 31.823 0.016 0.000 0.646 158 V HN 0.617 nan 8.190 nan 0.000 0.447 159 A N 0.082 122.739 122.820 -0.272 0.000 1.908 159 A HA -0.185 4.035 4.320 -0.166 0.000 0.218 159 A C 2.441 179.690 177.584 -0.557 0.000 1.181 159 A CA 2.302 53.964 52.037 -0.626 0.000 0.627 159 A CB -0.852 17.379 19.000 -1.281 0.000 0.818 159 A HN 0.612 nan 8.150 nan 0.000 0.445 160 A N -0.210 122.391 122.820 -0.365 0.000 1.933 160 A HA -0.197 4.023 4.320 -0.166 0.000 0.218 160 A C 1.831 179.281 177.584 -0.223 0.000 1.175 160 A CA 2.243 54.117 52.037 -0.272 0.000 0.628 160 A CB -0.651 18.252 19.000 -0.161 0.000 0.814 160 A HN 0.594 nan 8.150 nan 0.000 0.444 161 D N -0.288 120.002 120.400 -0.185 0.000 2.075 161 D HA -0.142 4.398 4.640 -0.166 0.000 0.196 161 D C 1.942 178.151 176.300 -0.152 0.000 0.985 161 D CA 2.519 56.437 54.000 -0.136 0.000 0.834 161 D CB -0.219 40.523 40.800 -0.097 0.000 0.987 161 D HN 0.416 nan 8.370 nan 0.000 0.452 162 V N -2.277 117.528 119.914 -0.181 0.000 3.129 162 V HA 0.342 4.362 4.120 -0.166 0.000 0.259 162 V C 1.217 177.176 176.094 -0.224 0.000 1.116 162 V CA 0.899 63.097 62.300 -0.170 0.000 1.127 162 V CB -0.996 30.747 31.823 -0.134 0.000 0.742 162 V HN 0.444 nan 8.190 nan 0.000 0.474 163 G N 0.050 108.630 108.800 -0.366 0.000 2.855 163 G HA2 -0.215 3.646 3.960 -0.166 0.000 0.352 163 G HA3 -0.215 3.646 3.960 -0.166 0.000 0.352 163 G C -0.682 173.905 174.900 -0.523 0.000 1.415 163 G CA -0.052 44.772 45.100 -0.461 0.000 0.871 163 G HN 0.635 nan 8.290 nan 0.000 0.543 164 F N 1.324 121.228 119.950 -0.077 0.000 2.397 164 F HA 0.599 5.027 4.527 -0.165 0.000 0.331 164 F C -0.906 174.885 175.800 -0.016 0.000 1.090 164 F CA -1.383 56.581 58.000 -0.060 0.000 1.065 164 F CB 1.646 40.625 39.000 -0.034 0.000 1.184 164 F HN 0.471 nan 8.300 nan 0.000 0.499 165 P HA 0.450 nan 4.420 nan 0.000 0.281 165 P C -1.302 176.035 177.300 0.063 0.000 1.264 165 P CA -0.599 62.594 63.100 0.155 0.000 0.824 165 P CB 1.147 32.671 31.700 -0.294 0.000 1.092 166 C N -0.935 118.432 119.300 0.113 0.000 2.971 166 C HA 0.783 5.144 4.460 -0.166 0.000 0.310 166 C C -0.431 174.578 174.990 0.032 0.000 1.285 166 C CA -0.939 58.105 59.018 0.043 0.000 1.593 166 C CB 0.174 27.938 27.740 0.039 0.000 2.076 166 C HN 0.385 nan 8.230 nan 0.000 0.472 167 I N 1.639 122.211 120.570 0.004 0.000 2.354 167 I HA 0.497 4.567 4.170 -0.166 0.000 0.292 167 I C -0.106 176.020 176.117 0.014 0.000 0.989 167 I CA -0.393 60.901 61.300 -0.010 0.000 1.188 167 I CB 1.147 39.122 38.000 -0.042 0.000 1.342 167 I HN 0.548 nan 8.210 nan 0.000 0.457 168 I N 6.819 127.390 120.570 0.002 0.000 2.336 168 I HA 0.480 4.551 4.170 -0.166 0.000 0.292 168 I C -0.079 176.015 176.117 -0.039 0.000 0.991 168 I CA -0.463 60.822 61.300 -0.025 0.000 1.227 168 I CB 0.662 38.611 38.000 -0.086 0.000 1.366 168 I HN 0.403 nan 8.210 nan 0.000 0.466 169 R N 6.737 127.212 120.500 -0.042 0.000 2.473 169 R HA 0.415 4.655 4.340 -0.166 0.000 0.303 169 R C -2.744 173.529 176.300 -0.044 0.000 1.002 169 R CA -1.808 54.266 56.100 -0.043 0.000 0.884 169 R CB 1.818 32.088 30.300 -0.050 0.000 1.173 169 R HN 0.230 nan 8.270 nan 0.000 0.464 170 P HA 0.099 nan 4.420 nan 0.000 0.274 170 P C -0.474 176.824 177.300 -0.004 0.000 1.231 170 P CA -0.183 62.906 63.100 -0.019 0.000 0.790 170 P CB 0.931 32.623 31.700 -0.013 0.000 0.951 171 S N 1.472 117.199 115.700 0.045 0.000 2.584 171 S HA 0.356 4.726 4.470 -0.166 0.000 0.273 171 S C -0.001 174.713 174.600 0.189 0.000 1.311 171 S CA -0.147 58.101 58.200 0.081 0.000 1.034 171 S CB -0.659 62.657 63.200 0.193 0.000 0.939 171 S HN 0.449 nan 8.310 nan 0.000 0.513 172 F N 0.082 120.009 119.950 -0.039 0.000 3.074 172 F HA -0.229 4.198 4.527 -0.167 0.000 0.289 172 F C 0.887 176.659 175.800 -0.045 0.000 0.863 172 F CA 0.905 58.880 58.000 -0.041 0.000 1.121 172 F CB -2.008 36.970 39.000 -0.035 0.000 1.169 172 F HN 0.655 nan 8.300 nan 0.000 0.570 173 T N -1.650 112.922 114.554 0.030 0.000 2.896 173 T HA 0.859 5.109 4.350 -0.166 0.000 0.297 173 T C -0.305 174.376 174.700 -0.033 0.000 1.108 173 T CA -0.246 61.857 62.100 0.005 0.000 1.004 173 T CB 2.840 71.708 68.868 0.001 0.000 1.159 173 T HN 0.467 nan 8.240 nan 0.000 0.499 174 M N -0.007 119.579 119.600 -0.023 0.000 2.716 174 M HA 0.855 5.235 4.480 -0.166 0.000 0.278 174 M C 0.760 177.050 176.300 -0.018 0.000 1.281 174 M CA 0.399 55.696 55.300 -0.004 0.000 0.814 174 M CB 0.560 33.161 32.600 0.002 0.000 1.719 174 M HN 1.590 nan 8.290 nan 0.000 0.457 175 G N -0.626 108.180 108.800 0.010 0.000 2.166 175 G HA2 0.186 4.047 3.960 -0.166 0.000 0.260 175 G HA3 0.186 4.047 3.960 -0.166 0.000 0.260 175 G C 1.205 175.824 174.900 -0.469 0.000 0.986 175 G CA 0.919 45.847 45.100 -0.286 0.000 0.683 175 G HN 2.618 nan 8.290 nan 0.000 0.527 176 G N -1.592 107.124 108.800 -0.140 0.000 2.148 176 G HA2 -0.073 3.787 3.960 -0.166 0.000 0.254 176 G HA3 -0.073 3.787 3.960 -0.166 0.000 0.254 176 G C 0.558 175.413 174.900 -0.076 0.000 0.981 176 G CA 0.779 45.853 45.100 -0.044 0.000 0.670 176 G HN 1.839 nan 8.290 nan 0.000 0.528 177 S N 0.129 115.774 115.700 -0.092 0.000 2.575 177 S HA 0.407 4.777 4.470 -0.166 0.000 0.295 177 S C 1.743 176.305 174.600 -0.064 0.000 1.267 177 S CA 1.240 59.388 58.200 -0.087 0.000 1.074 177 S CB 0.891 64.044 63.200 -0.078 0.000 0.829 177 S HN 2.112 nan 8.310 nan 0.000 0.497 178 G N 2.444 111.200 108.800 -0.072 0.000 2.189 178 G HA2 -0.205 3.655 3.960 -0.166 0.000 0.267 178 G HA3 -0.205 3.655 3.960 -0.166 0.000 0.267 178 G C 0.387 175.249 174.900 -0.064 0.000 0.975 178 G CA 0.125 45.186 45.100 -0.065 0.000 0.644 178 G HN 1.103 nan 8.290 nan 0.000 0.537 179 G N -1.418 107.350 108.800 -0.053 0.000 2.753 179 G HA2 0.992 4.852 3.960 -0.166 0.000 0.285 179 G HA3 0.992 4.852 3.960 -0.166 0.000 0.285 179 G C 0.269 175.149 174.900 -0.034 0.000 1.344 179 G CA 0.198 45.271 45.100 -0.044 0.000 1.050 179 G HN 1.711 nan 8.290 nan 0.000 0.532 180 G N -1.861 106.925 108.800 -0.024 0.000 2.324 180 G HA2 0.403 4.263 3.960 -0.166 0.000 0.293 180 G HA3 0.403 4.263 3.960 -0.166 0.000 0.293 180 G C -1.801 173.083 174.900 -0.027 0.000 1.297 180 G CA -0.862 44.231 45.100 -0.012 0.000 0.853 180 G HN 0.686 nan 8.290 nan 0.000 0.535 181 I N 1.272 121.812 120.570 -0.050 0.000 2.355 181 I HA 0.593 4.663 4.170 -0.166 0.000 0.288 181 I C 0.599 176.565 176.117 -0.252 0.000 0.999 181 I CA -0.678 60.520 61.300 -0.171 0.000 1.163 181 I CB 1.903 39.739 38.000 -0.274 0.000 1.316 181 I HN 0.736 nan 8.210 nan 0.000 0.454 182 A N 5.607 128.334 122.820 -0.156 0.000 2.260 182 A HA 0.456 4.676 4.320 -0.166 0.000 0.308 182 A C -0.325 177.059 177.584 -0.334 0.000 1.254 182 A CA -0.189 51.782 52.037 -0.109 0.000 0.874 182 A CB 0.035 19.190 19.000 0.259 0.000 1.153 182 A HN 0.735 nan 8.150 nan 0.000 0.527 183 Y N 1.603 121.809 120.300 -0.157 0.000 2.500 183 Y HA 0.110 4.559 4.550 -0.167 0.000 0.270 183 Y C 0.865 176.444 175.900 -0.535 0.000 1.134 183 Y CA 0.703 58.691 58.100 -0.186 0.000 1.293 183 Y CB 0.153 38.557 38.460 -0.093 0.000 1.063 183 Y HN 0.924 nan 8.280 nan 0.000 0.534 184 N N -2.863 115.356 118.700 -0.802 0.000 3.116 184 N HA 0.179 4.820 4.740 -0.166 0.000 0.244 184 N C 0.280 175.222 175.510 -0.946 0.000 1.485 184 N CA -0.984 51.445 53.050 -1.035 0.000 0.884 184 N CB 0.612 38.889 38.487 -0.350 0.000 1.415 184 N HN -0.230 nan 8.380 nan 0.000 0.524 185 R N -0.038 120.171 120.500 -0.485 0.000 2.091 185 R HA -0.154 4.087 4.340 -0.166 0.000 0.238 185 R C 1.312 177.655 176.300 0.072 0.000 1.136 185 R CA 1.920 58.006 56.100 -0.023 0.000 0.959 185 R CB -0.273 30.089 30.300 0.104 0.000 0.856 185 R HN 0.832 nan 8.270 nan 0.000 0.437 186 E N 0.423 120.621 120.200 -0.004 0.000 2.038 186 E HA -0.232 4.018 4.350 -0.166 0.000 0.195 186 E C 1.756 178.377 176.600 0.034 0.000 1.000 186 E CA 1.736 58.150 56.400 0.024 0.000 0.803 186 E CB 0.019 29.718 29.700 -0.003 0.000 0.750 186 E HN 0.446 nan 8.360 nan 0.000 0.448 187 E N -0.299 119.897 120.200 -0.006 0.000 2.085 187 E HA -0.214 4.036 4.350 -0.166 0.000 0.194 187 E C 1.974 178.608 176.600 0.057 0.000 0.994 187 E CA 1.147 57.552 56.400 0.009 0.000 0.801 187 E CB -0.313 29.375 29.700 -0.021 0.000 0.743 187 E HN 0.292 nan 8.360 nan 0.000 0.453 188 F N 2.193 122.101 119.950 -0.070 0.000 2.095 188 F HA -0.198 4.230 4.527 -0.166 0.000 0.298 188 F C 2.052 177.871 175.800 0.032 0.000 1.104 188 F CA 1.706 59.722 58.000 0.026 0.000 1.232 188 F CB 0.026 39.116 39.000 0.150 0.000 0.987 188 F HN -0.063 nan 8.300 nan 0.000 0.475 189 E N -0.229 120.071 120.200 0.167 0.000 2.072 189 E HA -0.263 3.987 4.350 -0.166 0.000 0.191 189 E C 2.174 178.744 176.600 -0.050 0.000 0.985 189 E CA 1.282 57.708 56.400 0.044 0.000 0.801 189 E CB -0.389 29.381 29.700 0.117 0.000 0.750 189 E HN 0.599 nan 8.360 nan 0.000 0.452 190 E N 1.094 121.281 120.200 -0.023 0.000 2.058 190 E HA -0.226 4.024 4.350 -0.166 0.000 0.194 190 E C 2.106 178.656 176.600 -0.084 0.000 0.997 190 E CA 1.112 57.489 56.400 -0.040 0.000 0.801 190 E CB -0.071 29.619 29.700 -0.017 0.000 0.746 190 E HN 0.207 nan 8.360 nan 0.000 0.450 191 I N 0.639 121.143 120.570 -0.110 0.000 2.113 191 I HA -0.347 3.724 4.170 -0.166 0.000 0.238 191 I C 2.760 178.759 176.117 -0.196 0.000 1.070 191 I CA 0.968 62.186 61.300 -0.136 0.000 1.332 191 I CB -0.349 37.572 38.000 -0.130 0.000 1.044 191 I HN 0.347 nan 8.210 nan 0.000 0.402 192 C N 0.767 119.866 119.300 -0.336 0.000 2.385 192 C HA -0.275 4.085 4.460 -0.166 0.000 0.275 192 C C 3.188 178.065 174.990 -0.189 0.000 1.207 192 C CA 1.129 59.932 59.018 -0.359 0.000 1.760 192 C CB -1.396 25.976 27.740 -0.613 0.000 2.051 192 C HN 0.641 nan 8.230 nan 0.000 0.467 193 A N 0.089 122.823 122.820 -0.143 0.000 1.883 193 A HA -0.257 3.964 4.320 -0.166 0.000 0.217 193 A C 2.233 179.768 177.584 -0.081 0.000 1.186 193 A CA 2.074 54.063 52.037 -0.081 0.000 0.624 193 A CB -0.698 18.270 19.000 -0.054 0.000 0.822 193 A HN 0.664 nan 8.150 nan 0.000 0.444 194 R N -0.769 119.674 120.500 -0.094 0.000 2.091 194 R HA -0.114 4.127 4.340 -0.166 0.000 0.238 194 R C 2.217 178.471 176.300 -0.077 0.000 1.136 194 R CA 1.614 57.661 56.100 -0.089 0.000 0.959 194 R CB -0.615 29.633 30.300 -0.087 0.000 0.856 194 R HN 0.484 nan 8.270 nan 0.000 0.437 195 G N 0.432 109.181 108.800 -0.086 0.000 2.403 195 G HA2 -0.182 3.679 3.960 -0.166 0.000 0.216 195 G HA3 -0.182 3.679 3.960 -0.166 0.000 0.216 195 G C 1.411 176.282 174.900 -0.049 0.000 1.154 195 G CA 0.331 45.388 45.100 -0.071 0.000 0.784 195 G HN 0.225 nan 8.290 nan 0.000 0.538 196 L N 0.150 121.341 121.223 -0.053 0.000 2.131 196 L HA -0.057 4.183 4.340 -0.166 0.000 0.210 196 L C 2.432 179.299 176.870 -0.005 0.000 1.092 196 L CA 1.368 56.195 54.840 -0.022 0.000 0.759 196 L CB -0.196 41.852 42.059 -0.018 0.000 0.903 196 L HN 0.172 nan 8.230 nan 0.000 0.435 197 D N -0.548 119.842 120.400 -0.016 0.000 2.162 197 D HA -0.147 4.394 4.640 -0.166 0.000 0.203 197 D C 1.991 178.287 176.300 -0.006 0.000 0.967 197 D CA 0.567 54.563 54.000 -0.006 0.000 0.840 197 D CB 0.240 41.030 40.800 -0.015 0.000 0.972 197 D HN 0.032 nan 8.370 nan 0.000 0.482 198 L N 0.126 121.339 121.223 -0.017 0.000 2.156 198 L HA 0.136 4.376 4.340 -0.166 0.000 0.208 198 L C 0.734 177.605 176.870 0.002 0.000 1.095 198 L CA 0.662 55.495 54.840 -0.012 0.000 0.770 198 L CB -0.571 41.472 42.059 -0.026 0.000 0.914 198 L HN -0.130 nan 8.230 nan 0.000 0.439 199 S N 0.295 116.000 115.700 0.008 0.000 2.546 199 S HA 0.035 4.405 4.470 -0.166 0.000 0.290 199 S C -1.404 173.210 174.600 0.022 0.000 1.262 199 S CA -0.910 57.310 58.200 0.034 0.000 1.083 199 S CB 0.414 63.641 63.200 0.044 0.000 0.859 199 S HN 0.114 nan 8.310 nan 0.000 0.495 200 P HA -0.028 nan 4.420 nan 0.000 0.222 200 P C 0.997 178.227 177.300 -0.117 0.000 1.147 200 P CA 1.100 64.160 63.100 -0.067 0.000 0.790 200 P CB -0.129 31.494 31.700 -0.128 0.000 0.780 201 T N -5.343 109.176 114.554 -0.059 0.000 3.129 201 T HA 0.197 4.447 4.350 -0.166 0.000 0.267 201 T C 0.604 175.326 174.700 0.036 0.000 1.018 201 T CA -0.568 61.502 62.100 -0.050 0.000 0.903 201 T CB -0.465 68.386 68.868 -0.028 0.000 1.067 201 T HN -0.039 nan 8.240 nan 0.000 0.549 202 K N 1.196 121.623 120.400 0.044 0.000 3.419 202 K HA -0.220 4.000 4.320 -0.166 0.000 0.272 202 K C -0.596 176.095 176.600 0.152 0.000 0.973 202 K CA 0.803 57.133 56.287 0.072 0.000 0.749 202 K CB -1.140 31.394 32.500 0.056 0.000 1.403 202 K HN 0.859 nan 8.250 nan 0.000 0.456 203 E N 1.340 121.610 120.200 0.116 0.000 2.366 203 E HA 0.545 4.795 4.350 -0.166 0.000 0.278 203 E C -1.353 175.243 176.600 -0.008 0.000 0.923 203 E CA -0.954 55.495 56.400 0.082 0.000 0.761 203 E CB 1.269 31.081 29.700 0.188 0.000 1.231 203 E HN 0.254 nan 8.360 nan 0.000 0.443 204 L N 3.166 124.333 121.223 -0.095 0.000 2.371 204 L HA 0.572 4.813 4.340 -0.166 0.000 0.262 204 L C -1.295 175.522 176.870 -0.089 0.000 1.006 204 L CA -1.226 53.565 54.840 -0.082 0.000 0.818 204 L CB 2.052 44.050 42.059 -0.102 0.000 1.354 204 L HN 0.536 nan 8.230 nan 0.000 0.415 205 L N 2.905 124.096 121.223 -0.054 0.000 2.356 205 L HA 0.618 4.859 4.340 -0.166 0.000 0.277 205 L C -1.121 175.735 176.870 -0.023 0.000 0.996 205 L CA 0.036 54.853 54.840 -0.038 0.000 0.822 205 L CB 1.584 43.629 42.059 -0.024 0.000 1.256 205 L HN 0.349 nan 8.230 nan 0.000 0.413 206 I N 4.313 124.883 120.570 -0.001 0.000 2.362 206 I HA 0.424 4.495 4.170 -0.166 0.000 0.289 206 I C -0.918 175.204 176.117 0.008 0.000 0.994 206 I CA -0.199 61.124 61.300 0.038 0.000 1.158 206 I CB 1.529 39.606 38.000 0.129 0.000 1.315 206 I HN 0.592 nan 8.210 nan 0.000 0.451 207 D N 4.397 124.792 120.400 -0.008 0.000 2.340 207 D HA 0.338 4.879 4.640 -0.166 0.000 0.240 207 D C -0.593 175.672 176.300 -0.059 0.000 1.001 207 D CA -0.792 53.184 54.000 -0.041 0.000 0.888 207 D CB 1.074 41.839 40.800 -0.058 0.000 1.310 207 D HN 0.549 nan 8.370 nan 0.000 0.474 208 E N -0.186 119.965 120.200 -0.081 0.000 2.418 208 E HA 0.188 4.439 4.350 -0.166 0.000 0.261 208 E C -0.216 176.314 176.600 -0.117 0.000 1.070 208 E CA -0.615 55.727 56.400 -0.096 0.000 0.931 208 E CB 0.690 30.332 29.700 -0.097 0.000 0.954 208 E HN 0.189 nan 8.360 nan 0.000 0.439 209 S N 1.867 117.504 115.700 -0.104 0.000 2.564 209 S HA 0.111 4.482 4.470 -0.166 0.000 0.278 209 S C 0.317 174.790 174.600 -0.211 0.000 1.333 209 S CA -0.543 57.586 58.200 -0.118 0.000 1.048 209 S CB 0.075 63.242 63.200 -0.056 0.000 0.900 209 S HN 0.574 nan 8.310 nan 0.000 0.505 210 L N 4.721 125.777 121.223 -0.279 0.000 3.333 210 L HA 0.390 4.631 4.340 -0.166 0.000 0.299 210 L C -0.261 176.439 176.870 -0.282 0.000 1.256 210 L CA -0.324 54.179 54.840 -0.561 0.000 1.037 210 L CB 0.071 41.615 42.059 -0.858 0.000 1.423 210 L HN 0.606 nan 8.230 nan 0.000 0.605 211 I N 1.375 121.887 120.570 -0.098 0.000 2.906 211 I HA -0.044 4.026 4.170 -0.166 0.000 0.302 211 I C 1.527 177.701 176.117 0.094 0.000 1.220 211 I CA 1.608 62.916 61.300 0.013 0.000 1.441 211 I CB 0.240 38.272 38.000 0.053 0.000 1.336 211 I HN 0.450 nan 8.210 nan 0.000 0.565 212 G N 4.057 112.929 108.800 0.120 0.000 2.232 212 G HA2 -0.210 3.650 3.960 -0.166 0.000 0.226 212 G HA3 -0.210 3.650 3.960 -0.166 0.000 0.226 212 G C -0.105 174.974 174.900 0.298 0.000 0.996 212 G CA -0.634 44.560 45.100 0.157 0.000 0.626 212 G HN 0.481 nan 8.290 nan 0.000 0.509 213 W N 1.863 123.188 121.300 0.043 0.000 2.093 213 W HA 0.640 5.200 4.660 -0.166 0.000 0.352 213 W C 1.042 177.599 176.519 0.063 0.000 1.294 213 W CA -0.855 56.533 57.345 0.072 0.000 1.290 213 W CB 0.326 29.836 29.460 0.083 0.000 1.149 213 W HN 0.021 nan 8.180 nan 0.000 0.606 214 K N 1.391 121.965 120.400 0.290 0.000 2.326 214 K HA 0.105 4.325 4.320 -0.166 0.000 0.275 214 K C -0.276 176.413 176.600 0.150 0.000 1.018 214 K CA -0.155 56.220 56.287 0.146 0.000 0.962 214 K CB 0.698 33.288 32.500 0.148 0.000 0.953 214 K HN 0.369 nan 8.250 nan 0.000 0.475 215 E N 2.682 122.846 120.200 -0.060 0.000 2.165 215 E HA 0.259 4.510 4.350 -0.166 0.000 0.266 215 E C -1.582 174.887 176.600 -0.218 0.000 0.889 215 E CA -0.539 55.850 56.400 -0.019 0.000 0.756 215 E CB 0.721 30.421 29.700 -0.000 0.000 1.131 215 E HN 0.366 nan 8.360 nan 0.000 0.411 216 Y N 1.566 121.962 120.300 0.159 0.000 2.605 216 Y HA 0.443 4.894 4.550 -0.165 0.000 0.343 216 Y C -0.516 175.497 175.900 0.187 0.000 1.036 216 Y CA -0.792 57.399 58.100 0.152 0.000 1.065 216 Y CB 2.320 40.855 38.460 0.125 0.000 1.288 216 Y HN 0.446 nan 8.280 nan 0.000 0.481 217 E N 1.653 122.061 120.200 0.348 0.000 2.343 217 E HA 0.610 4.861 4.350 -0.166 0.000 0.278 217 E C -1.602 175.124 176.600 0.210 0.000 0.910 217 E CA -0.927 55.627 56.400 0.256 0.000 0.757 217 E CB 3.001 32.778 29.700 0.129 0.000 1.218 217 E HN 0.440 nan 8.360 nan 0.000 0.435 218 M N 1.626 121.345 119.600 0.199 0.000 2.393 218 M HA 0.316 4.696 4.480 -0.166 0.000 0.316 218 M C -0.922 175.419 176.300 0.068 0.000 1.087 218 M CA -0.906 54.459 55.300 0.107 0.000 0.937 218 M CB 2.145 34.788 32.600 0.072 0.000 1.668 218 M HN 0.358 nan 8.290 nan 0.000 0.438 219 E N 3.043 123.258 120.200 0.025 0.000 2.146 219 E HA 0.456 4.706 4.350 -0.166 0.000 0.282 219 E C -1.089 175.486 176.600 -0.042 0.000 0.989 219 E CA -0.266 56.133 56.400 -0.001 0.000 0.799 219 E CB 1.619 31.312 29.700 -0.010 0.000 1.088 219 E HN 0.363 nan 8.360 nan 0.000 0.397 220 V N 2.490 122.389 119.914 -0.025 0.000 2.715 220 V HA 0.540 4.560 4.120 -0.166 0.000 0.310 220 V C 0.063 176.135 176.094 -0.036 0.000 1.054 220 V CA -0.953 61.324 62.300 -0.039 0.000 0.928 220 V CB 2.218 34.040 31.823 -0.002 0.000 1.007 220 V HN 0.328 nan 8.190 nan 0.000 0.437 221 V N 3.542 123.426 119.914 -0.050 0.000 2.638 221 V HA 0.669 4.689 4.120 -0.166 0.000 0.306 221 V C -0.358 175.746 176.094 0.016 0.000 1.052 221 V CA -0.674 61.620 62.300 -0.010 0.000 0.885 221 V CB 2.071 33.882 31.823 -0.020 0.000 0.999 221 V HN 0.941 nan 8.190 nan 0.000 0.424 222 R N 2.586 123.110 120.500 0.040 0.000 2.673 222 R HA 0.680 4.920 4.340 -0.166 0.000 0.281 222 R C -1.663 174.672 176.300 0.058 0.000 0.991 222 R CA -0.478 55.648 56.100 0.044 0.000 0.896 222 R CB 2.063 32.383 30.300 0.033 0.000 1.201 222 R HN 0.934 nan 8.270 nan 0.000 0.457 223 D N 1.537 121.974 120.400 0.062 0.000 2.497 223 D HA 0.166 4.706 4.640 -0.166 0.000 0.243 223 D C 0.379 176.712 176.300 0.055 0.000 1.039 223 D CA -0.881 53.161 54.000 0.070 0.000 1.052 223 D CB 1.091 41.945 40.800 0.091 0.000 1.344 223 D HN 0.595 nan 8.370 nan 0.000 0.553 224 K N -0.158 120.274 120.400 0.052 0.000 2.160 224 K HA -0.179 4.041 4.320 -0.166 0.000 0.206 224 K C 0.667 177.289 176.600 0.036 0.000 1.047 224 K CA 1.135 57.445 56.287 0.039 0.000 0.930 224 K CB -0.456 32.063 32.500 0.031 0.000 0.720 224 K HN 0.143 nan 8.250 nan 0.000 0.450 225 N N 1.114 119.840 118.700 0.044 0.000 2.515 225 N HA -0.080 4.561 4.740 -0.166 0.000 0.191 225 N C -0.421 175.112 175.510 0.038 0.000 1.182 225 N CA 0.903 53.977 53.050 0.040 0.000 0.879 225 N CB -0.048 38.466 38.487 0.045 0.000 0.984 225 N HN 0.343 nan 8.380 nan 0.000 0.453 226 D N -0.646 119.776 120.400 0.038 0.000 3.070 226 D HA -0.162 4.378 4.640 -0.166 0.000 0.210 226 D C -0.831 175.491 176.300 0.038 0.000 1.103 226 D CA 0.413 54.433 54.000 0.033 0.000 0.980 226 D CB -1.483 39.333 40.800 0.026 0.000 1.100 226 D HN 0.192 nan 8.370 nan 0.000 0.423 227 N N 0.470 119.199 118.700 0.048 0.000 2.513 227 N HA 0.269 4.910 4.740 -0.166 0.000 0.268 227 N C -0.188 175.351 175.510 0.048 0.000 1.180 227 N CA 0.276 53.359 53.050 0.054 0.000 0.948 227 N CB 1.288 39.819 38.487 0.072 0.000 1.083 227 N HN 0.317 nan 8.380 nan 0.000 0.455 228 C N 4.112 123.436 119.300 0.039 0.000 2.608 228 C HA 0.721 5.081 4.460 -0.166 0.000 0.325 228 C C -0.559 174.436 174.990 0.008 0.000 1.147 228 C CA -0.717 58.315 59.018 0.024 0.000 1.359 228 C CB -0.341 27.410 27.740 0.018 0.000 1.912 228 C HN 0.742 nan 8.230 nan 0.000 0.466 229 I N 3.106 123.663 120.570 -0.023 0.000 2.934 229 I HA 0.689 4.759 4.170 -0.166 0.000 0.306 229 I C -1.216 174.836 176.117 -0.108 0.000 1.110 229 I CA -0.914 60.344 61.300 -0.070 0.000 1.019 229 I CB 1.665 39.589 38.000 -0.126 0.000 1.227 229 I HN 0.249 nan 8.210 nan 0.000 0.434 230 I N 4.106 124.608 120.570 -0.114 0.000 2.304 230 I HA 0.193 4.263 4.170 -0.166 0.000 0.291 230 I C 0.998 176.993 176.117 -0.204 0.000 1.018 230 I CA -0.484 60.750 61.300 -0.110 0.000 1.260 230 I CB 1.327 39.304 38.000 -0.038 0.000 1.390 230 I HN 0.555 nan 8.210 nan 0.000 0.475 231 V N 5.157 124.911 119.914 -0.268 0.000 2.488 231 V HA -0.039 3.981 4.120 -0.166 0.000 0.246 231 V C 0.738 176.709 176.094 -0.205 0.000 1.046 231 V CA 0.955 63.013 62.300 -0.403 0.000 1.053 231 V CB 0.242 31.755 31.823 -0.516 0.000 0.679 231 V HN 0.859 nan 8.190 nan 0.000 0.458 232 C N -0.214 119.029 119.300 -0.095 0.000 3.181 232 C HA 0.572 4.932 4.460 -0.166 0.000 0.362 232 C C -0.176 174.834 174.990 0.033 0.000 1.125 232 C CA -0.480 58.528 59.018 -0.016 0.000 1.265 232 C CB 1.139 28.880 27.740 0.001 0.000 1.632 232 C HN 0.475 nan 8.230 nan 0.000 0.525 233 S N 4.575 120.325 115.700 0.084 0.000 2.509 233 S HA 0.889 5.260 4.470 -0.166 0.000 0.297 233 S C -0.968 173.721 174.600 0.147 0.000 1.118 233 S CA -0.465 57.811 58.200 0.126 0.000 1.074 233 S CB 1.079 64.417 63.200 0.230 0.000 1.038 233 S HN 0.721 nan 8.310 nan 0.000 0.498 234 I N 1.647 122.330 120.570 0.188 0.000 2.569 234 I HA 0.399 4.469 4.170 -0.166 0.000 0.290 234 I C -0.649 175.605 176.117 0.229 0.000 1.088 234 I CA -0.320 61.086 61.300 0.176 0.000 1.047 234 I CB 2.242 40.317 38.000 0.124 0.000 1.237 234 I HN 0.850 nan 8.210 nan 0.000 0.421 235 E N 6.666 126.972 120.200 0.177 0.000 2.145 235 E HA 0.332 4.582 4.350 -0.166 0.000 0.270 235 E C -0.943 175.661 176.600 0.007 0.000 0.906 235 E CA -0.611 55.799 56.400 0.018 0.000 0.761 235 E CB 1.026 30.825 29.700 0.165 0.000 1.116 235 E HN 0.533 nan 8.360 nan 0.000 0.408 236 N N 4.290 122.918 118.700 -0.120 0.000 2.520 236 N HA 0.044 4.684 4.740 -0.166 0.000 0.273 236 N C 0.154 175.659 175.510 -0.008 0.000 1.155 236 N CA -0.042 52.989 53.050 -0.031 0.000 0.967 236 N CB 0.636 39.097 38.487 -0.043 0.000 1.092 236 N HN 0.563 nan 8.380 nan 0.000 0.457 237 F N 2.122 121.931 119.950 -0.235 0.000 2.187 237 F HA 0.035 4.462 4.527 -0.166 0.000 0.295 237 F C 0.530 176.223 175.800 -0.179 0.000 1.091 237 F CA 0.686 58.417 58.000 -0.447 0.000 1.308 237 F CB 0.344 39.029 39.000 -0.526 0.000 1.030 237 F HN 0.378 nan 8.300 nan 0.000 0.487 238 D N 1.611 122.104 120.400 0.155 0.000 2.304 238 D HA 0.320 4.860 4.640 -0.166 0.000 0.250 238 D C 0.315 176.627 176.300 0.020 0.000 1.107 238 D CA 0.246 54.294 54.000 0.080 0.000 0.885 238 D CB 1.521 42.428 40.800 0.178 0.000 1.192 238 D HN 0.290 nan 8.370 nan 0.000 0.436 239 A N 2.905 125.724 122.820 -0.001 0.000 2.292 239 A HA 0.226 4.446 4.320 -0.166 0.000 0.265 239 A C 0.733 178.344 177.584 0.044 0.000 1.133 239 A CA -0.438 51.614 52.037 0.024 0.000 0.807 239 A CB 0.224 19.240 19.000 0.026 0.000 1.102 239 A HN 0.515 nan 8.150 nan 0.000 0.502 240 M N -0.240 119.401 119.600 0.067 0.000 2.250 240 M HA 0.283 4.664 4.480 -0.166 0.000 0.337 240 M C 1.394 177.717 176.300 0.038 0.000 1.161 240 M CA 1.875 57.203 55.300 0.047 0.000 1.088 240 M CB -0.144 32.489 32.600 0.054 0.000 1.639 240 M HN 1.454 nan 8.290 nan 0.000 0.447 241 G N 3.163 111.980 108.800 0.028 0.000 2.316 241 G HA2 -0.146 3.715 3.960 -0.166 0.000 0.203 241 G HA3 -0.146 3.715 3.960 -0.166 0.000 0.203 241 G C 0.016 174.963 174.900 0.077 0.000 0.999 241 G CA -0.576 44.552 45.100 0.046 0.000 0.649 241 G HN 0.560 nan 8.290 nan 0.000 0.489 242 I N 2.337 122.957 120.570 0.083 0.000 2.410 242 I HA 0.322 4.393 4.170 -0.166 0.000 0.286 242 I C 0.516 176.714 176.117 0.135 0.000 1.009 242 I CA -1.054 60.323 61.300 0.128 0.000 1.111 242 I CB 1.369 39.450 38.000 0.134 0.000 1.262 242 I HN 0.139 nan 8.210 nan 0.000 0.443 243 H N 5.128 124.245 119.070 0.079 0.000 3.152 243 H HA -0.103 4.354 4.556 -0.164 0.000 0.319 243 H C 1.221 176.590 175.328 0.068 0.000 0.994 243 H CA 1.414 57.499 56.048 0.061 0.000 1.370 243 H CB 1.154 30.951 29.762 0.058 0.000 1.322 243 H HN 0.879 nan 8.280 nan 0.000 0.590 244 T N 0.931 115.374 114.554 -0.184 0.000 2.721 244 T HA -0.181 4.069 4.350 -0.166 0.000 0.268 244 T C 2.189 176.972 174.700 0.138 0.000 1.038 244 T CA 1.267 63.354 62.100 -0.021 0.000 1.145 244 T CB -0.737 68.073 68.868 -0.096 0.000 0.858 244 T HN 0.640 nan 8.240 nan 0.000 0.459 245 G N 1.052 110.072 108.800 0.368 0.000 2.448 245 G HA2 -0.108 3.752 3.960 -0.166 0.000 0.219 245 G HA3 -0.108 3.752 3.960 -0.166 0.000 0.219 245 G C 1.095 176.091 174.900 0.159 0.000 1.127 245 G CA 0.843 46.097 45.100 0.257 0.000 0.766 245 G HN 0.516 nan 8.290 nan 0.000 0.552 246 D N -0.335 120.215 120.400 0.250 0.000 2.363 246 D HA 0.243 4.783 4.640 -0.166 0.000 0.214 246 D C 0.673 177.157 176.300 0.307 0.000 1.093 246 D CA 0.016 54.194 54.000 0.296 0.000 0.837 246 D CB 0.645 41.694 40.800 0.414 0.000 0.948 246 D HN 0.086 nan 8.370 nan 0.000 0.507 247 S N -0.191 115.628 115.700 0.198 0.000 2.651 247 S HA 0.465 4.835 4.470 -0.166 0.000 0.291 247 S C 0.380 175.041 174.600 0.102 0.000 1.141 247 S CA -0.664 57.633 58.200 0.163 0.000 1.027 247 S CB 1.671 64.943 63.200 0.119 0.000 1.043 247 S HN 0.035 nan 8.310 nan 0.000 0.530 248 I N 2.474 123.091 120.570 0.079 0.000 2.474 248 I HA 0.308 4.378 4.170 -0.166 0.000 0.287 248 I C 0.550 176.664 176.117 -0.005 0.000 1.048 248 I CA 0.039 61.305 61.300 -0.056 0.000 1.383 248 I CB 1.139 38.935 38.000 -0.340 0.000 1.412 248 I HN 0.696 nan 8.210 nan 0.000 0.531 249 T N 3.501 118.041 114.554 -0.022 0.000 2.883 249 T HA 0.743 4.993 4.350 -0.166 0.000 0.301 249 T C -0.663 174.058 174.700 0.034 0.000 1.158 249 T CA -0.748 61.365 62.100 0.022 0.000 1.007 249 T CB 1.911 70.802 68.868 0.038 0.000 1.186 249 T HN 0.461 nan 8.240 nan 0.000 0.499 250 V N -1.613 118.358 119.914 0.094 0.000 3.007 250 V HA 1.029 5.049 4.120 -0.166 0.000 0.311 250 V C -0.573 175.605 176.094 0.140 0.000 1.120 250 V CA -1.113 61.269 62.300 0.137 0.000 0.980 250 V CB 1.241 33.216 31.823 0.254 0.000 1.033 250 V HN 1.628 nan 8.190 nan 0.000 0.429 251 A N 4.262 127.153 122.820 0.118 0.000 2.371 251 A HA 1.044 5.264 4.320 -0.166 0.000 0.311 251 A C -2.818 174.812 177.584 0.076 0.000 1.068 251 A CA -1.841 50.254 52.037 0.096 0.000 0.744 251 A CB 1.832 20.875 19.000 0.072 0.000 1.239 251 A HN 0.783 nan 8.150 nan 0.000 0.435 252 P HA 0.472 nan 4.420 nan 0.000 0.312 252 P C 0.126 177.487 177.300 0.102 0.000 1.308 252 P CA -0.219 62.915 63.100 0.057 0.000 0.743 252 P CB 0.550 32.247 31.700 -0.004 0.000 1.364 253 A N 0.057 122.966 122.820 0.148 0.000 2.425 253 A HA 0.128 4.348 4.320 -0.166 0.000 0.242 253 A C 1.127 178.725 177.584 0.024 0.000 1.077 253 A CA 0.137 52.298 52.037 0.207 0.000 0.781 253 A CB -0.259 18.913 19.000 0.286 0.000 1.020 253 A HN 0.472 nan 8.150 nan 0.000 0.494 254 Q N -0.030 119.717 119.800 -0.089 0.000 2.471 254 Q HA 0.017 4.257 4.340 -0.166 0.000 0.241 254 Q C 1.189 176.894 176.000 -0.490 0.000 0.886 254 Q CA 1.569 57.102 55.803 -0.450 0.000 0.953 254 Q CB -0.027 28.067 28.738 -1.075 0.000 1.108 254 Q HN 0.969 nan 8.270 nan 0.000 0.575 255 T N -1.457 112.907 114.554 -0.316 0.000 3.258 255 T HA 0.525 4.775 4.350 -0.166 0.000 0.263 255 T C 0.334 174.973 174.700 -0.102 0.000 0.983 255 T CA -0.160 61.789 62.100 -0.251 0.000 0.907 255 T CB -0.490 68.256 68.868 -0.204 0.000 1.096 255 T HN -0.109 nan 8.240 nan 0.000 0.556 256 L N 2.163 123.327 121.223 -0.098 0.000 2.334 256 L HA 0.589 4.829 4.340 -0.166 0.000 0.273 256 L C 0.709 177.522 176.870 -0.095 0.000 1.013 256 L CA -1.105 53.673 54.840 -0.104 0.000 0.816 256 L CB 2.079 44.047 42.059 -0.151 0.000 1.278 256 L HN 0.303 nan 8.230 nan 0.000 0.431 257 T N -3.188 111.315 114.554 -0.084 0.000 2.882 257 T HA 0.079 4.329 4.350 -0.166 0.000 0.287 257 T C 0.649 175.314 174.700 -0.058 0.000 1.014 257 T CA -0.633 61.422 62.100 -0.076 0.000 1.049 257 T CB 1.488 70.316 68.868 -0.066 0.000 1.001 257 T HN 0.653 nan 8.240 nan 0.000 0.525 258 D N 0.733 121.091 120.400 -0.071 0.000 2.149 258 D HA -0.170 4.370 4.640 -0.166 0.000 0.194 258 D C 1.956 178.248 176.300 -0.013 0.000 1.001 258 D CA 1.679 55.642 54.000 -0.062 0.000 0.849 258 D CB -0.051 40.702 40.800 -0.078 0.000 0.939 258 D HN 0.655 nan 8.370 nan 0.000 0.449 259 K N -0.068 120.313 120.400 -0.032 0.000 2.020 259 K HA -0.205 4.015 4.320 -0.166 0.000 0.212 259 K C 2.254 178.830 176.600 -0.039 0.000 1.050 259 K CA 1.588 57.857 56.287 -0.031 0.000 0.929 259 K CB -0.155 32.322 32.500 -0.039 0.000 0.714 259 K HN 0.327 nan 8.250 nan 0.000 0.443 260 E N -0.464 119.702 120.200 -0.057 0.000 2.106 260 E HA -0.212 4.038 4.350 -0.166 0.000 0.192 260 E C 1.887 178.410 176.600 -0.128 0.000 0.984 260 E CA 1.046 57.384 56.400 -0.103 0.000 0.806 260 E CB -0.130 29.495 29.700 -0.123 0.000 0.750 260 E HN 0.328 nan 8.360 nan 0.000 0.458 261 Y N 1.622 121.795 120.300 -0.212 0.000 2.293 261 Y HA -0.212 4.238 4.550 -0.166 0.000 0.291 261 Y C 2.161 177.942 175.900 -0.197 0.000 1.137 261 Y CA 1.282 59.240 58.100 -0.236 0.000 1.202 261 Y CB 0.173 38.517 38.460 -0.193 0.000 0.990 261 Y HN -0.049 nan 8.280 nan 0.000 0.537 262 Q N 0.349 120.201 119.800 0.087 0.000 2.083 262 Q HA -0.109 4.132 4.340 -0.166 0.000 0.198 262 Q C 2.448 178.393 176.000 -0.093 0.000 0.969 262 Q CA 1.738 57.560 55.803 0.032 0.000 0.838 262 Q CB -0.462 28.297 28.738 0.034 0.000 0.900 262 Q HN 0.607 nan 8.270 nan 0.000 0.436 263 I N 0.368 120.868 120.570 -0.116 0.000 2.163 263 I HA -0.291 3.779 4.170 -0.166 0.000 0.243 263 I C 2.505 178.481 176.117 -0.235 0.000 1.085 263 I CA 1.234 62.450 61.300 -0.139 0.000 1.347 263 I CB -0.280 37.646 38.000 -0.124 0.000 1.044 263 I HN 0.218 nan 8.210 nan 0.000 0.408 264 M N 0.712 120.074 119.600 -0.398 0.000 2.175 264 M HA -0.218 4.163 4.480 -0.166 0.000 0.264 264 M C 2.529 178.489 176.300 -0.566 0.000 1.063 264 M CA 1.608 56.504 55.300 -0.672 0.000 1.119 264 M CB -0.169 31.885 32.600 -0.910 0.000 1.377 264 M HN 0.082 nan 8.290 nan 0.000 0.415 265 R N 0.207 120.406 120.500 -0.501 0.000 2.096 265 R HA -0.162 4.079 4.340 -0.166 0.000 0.235 265 R C 1.440 177.652 176.300 -0.147 0.000 1.127 265 R CA 2.372 58.265 56.100 -0.345 0.000 0.968 265 R CB -0.527 29.601 30.300 -0.287 0.000 0.861 265 R HN 0.548 nan 8.270 nan 0.000 0.440 266 N N 0.432 119.063 118.700 -0.116 0.000 2.058 266 N HA -0.149 4.491 4.740 -0.166 0.000 0.191 266 N C 1.922 177.430 175.510 -0.004 0.000 1.037 266 N CA 1.375 54.397 53.050 -0.047 0.000 0.848 266 N CB -0.249 38.213 38.487 -0.041 0.000 1.021 266 N HN 0.313 nan 8.380 nan 0.000 0.422 267 A N 0.936 123.759 122.820 0.005 0.000 1.903 267 A HA -0.235 3.986 4.320 -0.166 0.000 0.219 267 A C 2.331 180.031 177.584 0.193 0.000 1.191 267 A CA 2.048 54.156 52.037 0.119 0.000 0.638 267 A CB -0.977 18.134 19.000 0.185 0.000 0.823 267 A HN 0.257 nan 8.150 nan 0.000 0.451 268 S N -0.399 115.448 115.700 0.246 0.000 2.365 268 S HA -0.237 4.133 4.470 -0.166 0.000 0.225 268 S C 2.038 176.700 174.600 0.103 0.000 1.039 268 S CA 1.983 60.329 58.200 0.242 0.000 1.033 268 S CB -0.467 62.834 63.200 0.168 0.000 0.887 268 S HN 0.594 nan 8.310 nan 0.000 0.447 269 M N 1.041 120.673 119.600 0.053 0.000 2.117 269 M HA -0.095 4.286 4.480 -0.166 0.000 0.262 269 M C 2.579 178.895 176.300 0.027 0.000 1.065 269 M CA 1.455 56.772 55.300 0.029 0.000 1.114 269 M CB -0.673 31.934 32.600 0.012 0.000 1.361 269 M HN 0.403 nan 8.290 nan 0.000 0.408 270 A N 0.133 122.970 122.820 0.028 0.000 1.908 270 A HA -0.121 4.099 4.320 -0.166 0.000 0.218 270 A C 2.274 179.862 177.584 0.006 0.000 1.181 270 A CA 1.738 53.784 52.037 0.014 0.000 0.627 270 A CB -1.087 17.921 19.000 0.013 0.000 0.818 270 A HN 0.298 nan 8.150 nan 0.000 0.445 271 V N -0.321 119.608 119.914 0.025 0.000 2.231 271 V HA -0.301 3.719 4.120 -0.166 0.000 0.248 271 V C 2.518 178.621 176.094 0.015 0.000 1.054 271 V CA 2.255 64.562 62.300 0.011 0.000 1.015 271 V CB -0.839 31.008 31.823 0.039 0.000 0.638 271 V HN 0.526 nan 8.190 nan 0.000 0.444 272 L N -0.521 120.720 121.223 0.030 0.000 2.127 272 L HA -0.178 4.062 4.340 -0.166 0.000 0.211 272 L C 2.551 179.431 176.870 0.017 0.000 1.089 272 L CA 1.893 56.750 54.840 0.028 0.000 0.757 272 L CB -0.760 41.316 42.059 0.028 0.000 0.899 272 L HN 0.239 nan 8.230 nan 0.000 0.434 273 R N -1.032 119.474 120.500 0.010 0.000 2.075 273 R HA -0.171 4.069 4.340 -0.166 0.000 0.232 273 R C 2.218 178.515 176.300 -0.005 0.000 1.126 273 R CA 1.168 57.270 56.100 0.004 0.000 0.963 273 R CB -0.216 30.086 30.300 0.003 0.000 0.858 273 R HN 0.234 nan 8.270 nan 0.000 0.435 274 E N 1.083 121.272 120.200 -0.019 0.000 2.046 274 E HA -0.131 4.119 4.350 -0.166 0.000 0.190 274 E C 1.614 178.196 176.600 -0.030 0.000 0.982 274 E CA 1.134 57.512 56.400 -0.038 0.000 0.800 274 E CB -0.102 29.555 29.700 -0.073 0.000 0.756 274 E HN 0.057 nan 8.360 nan 0.000 0.449 275 I N 0.088 120.648 120.570 -0.017 0.000 2.361 275 I HA -0.013 4.057 4.170 -0.166 0.000 0.251 275 I C 1.812 177.937 176.117 0.014 0.000 1.133 275 I CA 1.697 63.004 61.300 0.011 0.000 1.413 275 I CB -0.588 37.446 38.000 0.057 0.000 1.073 275 I HN 0.417 nan 8.210 nan 0.000 0.424 276 G N -0.470 108.337 108.800 0.012 0.000 2.138 276 G HA2 -0.174 3.686 3.960 -0.166 0.000 0.193 276 G HA3 -0.174 3.686 3.960 -0.166 0.000 0.193 276 G C 0.210 175.121 174.900 0.018 0.000 0.998 276 G CA -0.009 45.099 45.100 0.013 0.000 0.668 276 G HN 0.146 nan 8.290 nan 0.000 0.516 277 V N 0.836 120.763 119.914 0.022 0.000 2.387 277 V HA 0.359 4.379 4.120 -0.166 0.000 0.260 277 V C 1.135 177.245 176.094 0.026 0.000 1.054 277 V CA 0.672 62.987 62.300 0.024 0.000 0.967 277 V CB 1.223 33.063 31.823 0.027 0.000 1.036 277 V HN 0.473 nan 8.190 nan 0.000 0.481 278 E N 2.309 122.525 120.200 0.026 0.000 2.490 278 E HA 0.056 4.306 4.350 -0.166 0.000 0.209 278 E C 0.794 177.415 176.600 0.036 0.000 0.971 278 E CA 0.541 56.958 56.400 0.029 0.000 0.988 278 E CB 0.831 30.545 29.700 0.024 0.000 1.029 278 E HN 0.827 nan 8.360 nan 0.000 0.496 279 T N -1.841 112.735 114.554 0.037 0.000 3.741 279 T HA 0.609 4.859 4.350 -0.166 0.000 0.242 279 T C 0.024 174.755 174.700 0.051 0.000 1.042 279 T CA -0.229 61.899 62.100 0.046 0.000 1.278 279 T CB 0.849 69.741 68.868 0.039 0.000 0.994 279 T HN 0.125 nan 8.240 nan 0.000 0.594 280 G N -0.374 108.459 108.800 0.054 0.000 2.325 280 G HA2 0.598 4.458 3.960 -0.166 0.000 0.295 280 G HA3 0.598 4.458 3.960 -0.166 0.000 0.295 280 G C -0.496 174.436 174.900 0.055 0.000 1.274 280 G CA -0.219 44.916 45.100 0.059 0.000 0.857 280 G HN 0.614 nan 8.290 nan 0.000 0.499 281 G N -1.040 107.794 108.800 0.057 0.000 2.462 281 G HA2 0.660 4.520 3.960 -0.166 0.000 0.319 281 G HA3 0.660 4.520 3.960 -0.166 0.000 0.319 281 G C -0.490 174.434 174.900 0.040 0.000 1.171 281 G CA 0.239 45.367 45.100 0.047 0.000 0.920 281 G HN 1.228 nan 8.290 nan 0.000 0.499 282 S N -0.605 115.114 115.700 0.031 0.000 2.547 282 S HA 0.357 4.728 4.470 -0.166 0.000 0.270 282 S C -1.088 173.526 174.600 0.024 0.000 1.150 282 S CA -0.902 57.313 58.200 0.026 0.000 0.850 282 S CB 1.886 65.100 63.200 0.023 0.000 1.118 282 S HN 0.779 nan 8.310 nan 0.000 0.461 283 N N 1.699 120.409 118.700 0.016 0.000 2.392 283 N HA 0.518 5.158 4.740 -0.166 0.000 0.283 283 N C -1.487 174.012 175.510 -0.017 0.000 1.003 283 N CA -0.229 52.830 53.050 0.014 0.000 0.892 283 N CB 1.306 39.805 38.487 0.019 0.000 1.193 283 N HN 0.359 nan 8.380 nan 0.000 0.487 284 V N 3.211 123.123 119.914 -0.002 0.000 2.495 284 V HA 0.386 4.407 4.120 -0.166 0.000 0.298 284 V C -0.208 175.803 176.094 -0.138 0.000 1.031 284 V CA -0.743 61.498 62.300 -0.098 0.000 0.871 284 V CB 1.662 33.455 31.823 -0.049 0.000 0.988 284 V HN 0.623 nan 8.190 nan 0.000 0.432 285 Q N 3.420 123.025 119.800 -0.324 0.000 2.342 285 Q HA 0.756 4.997 4.340 -0.166 0.000 0.267 285 Q C -1.618 174.133 176.000 -0.415 0.000 1.038 285 Q CA -0.390 55.294 55.803 -0.198 0.000 0.832 285 Q CB 2.757 31.416 28.738 -0.132 0.000 1.323 285 Q HN 0.648 nan 8.270 nan 0.000 0.448 286 F N -0.086 119.922 119.950 0.097 0.000 2.650 286 F HA 0.796 5.223 4.527 -0.166 0.000 0.320 286 F C -0.461 175.450 175.800 0.186 0.000 1.091 286 F CA -1.198 56.881 58.000 0.131 0.000 0.962 286 F CB 1.753 40.831 39.000 0.129 0.000 1.363 286 F HN 0.538 nan 8.300 nan 0.000 0.482 287 A N 0.977 124.056 122.820 0.432 0.000 2.355 287 A HA 0.840 5.061 4.320 -0.166 0.000 0.317 287 A C -1.701 176.217 177.584 0.556 0.000 1.094 287 A CA -0.697 51.601 52.037 0.435 0.000 0.764 287 A CB 1.425 20.608 19.000 0.305 0.000 1.230 287 A HN 0.519 nan 8.150 nan 0.000 0.448 288 V N 2.639 122.875 119.914 0.535 0.000 2.588 288 V HA 0.329 4.350 4.120 -0.166 0.000 0.304 288 V C -0.397 175.729 176.094 0.053 0.000 1.042 288 V CA -0.918 61.569 62.300 0.313 0.000 0.877 288 V CB 2.005 33.982 31.823 0.257 0.000 0.996 288 V HN 0.908 nan 8.190 nan 0.000 0.425 289 N N 6.992 125.414 118.700 -0.463 0.000 2.415 289 N HA 0.264 4.904 4.740 -0.166 0.000 0.246 289 N C -1.464 173.769 175.510 -0.462 0.000 1.078 289 N CA -2.087 50.293 53.050 -1.117 0.000 0.942 289 N CB 1.709 39.175 38.487 -1.703 0.000 1.140 289 N HN 0.286 nan 8.380 nan 0.000 0.501 290 P HA -0.143 nan 4.420 nan 0.000 0.222 290 P C 0.429 177.652 177.300 -0.127 0.000 1.142 290 P CA 1.331 64.365 63.100 -0.110 0.000 0.788 290 P CB 0.385 32.083 31.700 -0.002 0.000 0.767 291 K N -0.501 119.788 120.400 -0.186 0.000 2.305 291 K HA 0.005 4.225 4.320 -0.166 0.000 0.199 291 K C 0.685 177.209 176.600 -0.128 0.000 1.047 291 K CA 1.098 57.306 56.287 -0.133 0.000 0.976 291 K CB -0.084 32.347 32.500 -0.115 0.000 0.765 291 K HN 0.279 nan 8.250 nan 0.000 0.474 292 N N -2.024 116.576 118.700 -0.167 0.000 2.162 292 N HA 0.065 4.705 4.740 -0.166 0.000 0.232 292 N C 0.555 175.995 175.510 -0.117 0.000 1.361 292 N CA 0.314 53.291 53.050 -0.121 0.000 0.786 292 N CB 0.462 38.886 38.487 -0.106 0.000 1.290 292 N HN 0.071 nan 8.380 nan 0.000 0.505 293 G N 1.007 109.726 108.800 -0.135 0.000 2.175 293 G HA2 -0.422 3.438 3.960 -0.166 0.000 0.265 293 G HA3 -0.422 3.438 3.960 -0.166 0.000 0.265 293 G C 0.101 174.950 174.900 -0.085 0.000 0.979 293 G CA 0.412 45.450 45.100 -0.103 0.000 0.663 293 G HN 0.650 nan 8.290 nan 0.000 0.533 294 R N -0.315 120.115 120.500 -0.117 0.000 2.523 294 R HA 0.236 4.476 4.340 -0.166 0.000 0.281 294 R C -0.099 176.248 176.300 0.079 0.000 0.969 294 R CA 0.018 56.101 56.100 -0.029 0.000 1.093 294 R CB 0.015 30.287 30.300 -0.047 0.000 0.917 294 R HN 0.326 nan 8.270 nan 0.000 0.408 295 L N 6.337 127.635 121.223 0.125 0.000 2.296 295 L HA 0.501 4.741 4.340 -0.166 0.000 0.286 295 L C -0.915 176.116 176.870 0.269 0.000 1.023 295 L CA -0.211 54.740 54.840 0.186 0.000 0.812 295 L CB 1.471 43.575 42.059 0.075 0.000 1.223 295 L HN 0.569 nan 8.230 nan 0.000 0.421 296 I N 4.980 125.761 120.570 0.352 0.000 2.533 296 I HA 0.380 4.450 4.170 -0.166 0.000 0.290 296 I C -0.762 175.519 176.117 0.274 0.000 1.056 296 I CA -0.921 60.544 61.300 0.275 0.000 1.057 296 I CB 2.263 40.386 38.000 0.205 0.000 1.240 296 I HN 0.219 nan 8.210 nan 0.000 0.423 297 V N 6.398 126.413 119.914 0.168 0.000 2.530 297 V HA 0.199 4.219 4.120 -0.166 0.000 0.282 297 V C 0.953 177.050 176.094 0.004 0.000 1.048 297 V CA -0.211 62.079 62.300 -0.016 0.000 0.997 297 V CB 1.259 33.066 31.823 -0.027 0.000 0.987 297 V HN 0.574 nan 8.190 nan 0.000 0.477 298 I N 2.617 123.124 120.570 -0.105 0.000 2.681 298 I HA 0.238 4.309 4.170 -0.166 0.000 0.247 298 I C 0.914 176.925 176.117 -0.178 0.000 1.091 298 I CA 0.888 62.134 61.300 -0.090 0.000 1.442 298 I CB -0.231 37.705 38.000 -0.106 0.000 1.219 298 I HN 0.973 nan 8.210 nan 0.000 0.451 299 E N 1.041 121.048 120.200 -0.322 0.000 2.439 299 E HA 0.525 4.776 4.350 -0.166 0.000 0.279 299 E C -0.878 175.409 176.600 -0.522 0.000 1.077 299 E CA -0.922 55.069 56.400 -0.682 0.000 0.849 299 E CB 1.942 31.331 29.700 -0.518 0.000 1.408 299 E HN 0.042 nan 8.360 nan 0.000 0.457 300 M N 1.013 120.225 119.600 -0.646 0.000 2.378 300 M HA 0.582 4.962 4.480 -0.166 0.000 0.289 300 M C -2.137 174.025 176.300 -0.230 0.000 1.136 300 M CA -0.411 54.732 55.300 -0.262 0.000 0.917 300 M CB 2.400 35.020 32.600 0.033 0.000 1.669 300 M HN 0.394 nan 8.290 nan 0.000 0.461 301 N N 4.211 122.836 118.700 -0.125 0.000 2.479 301 N HA 0.415 5.055 4.740 -0.166 0.000 0.261 301 N C -2.674 172.812 175.510 -0.040 0.000 0.979 301 N CA -1.196 51.798 53.050 -0.094 0.000 0.930 301 N CB 1.856 40.309 38.487 -0.057 0.000 1.172 301 N HN 0.544 nan 8.380 nan 0.000 0.499 302 P HA 0.083 nan 4.420 nan 0.000 0.228 302 P C -0.542 176.759 177.300 0.001 0.000 1.748 302 P CA 0.238 63.330 63.100 -0.014 0.000 0.909 302 P CB -0.210 31.477 31.700 -0.022 0.000 1.882 303 R N -2.094 118.418 120.500 0.021 0.000 2.789 303 R HA 0.487 4.727 4.340 -0.166 0.000 0.279 303 R C -0.648 175.708 176.300 0.092 0.000 1.010 303 R CA -1.148 54.979 56.100 0.045 0.000 0.855 303 R CB -0.026 30.289 30.300 0.024 0.000 1.312 303 R HN -0.146 nan 8.270 nan 0.000 0.479 304 V N -0.304 119.693 119.914 0.137 0.000 3.185 304 V HA 0.719 4.740 4.120 -0.166 0.000 0.305 304 V C 0.167 176.441 176.094 0.299 0.000 1.090 304 V CA 0.564 62.980 62.300 0.194 0.000 1.107 304 V CB 1.125 33.067 31.823 0.199 0.000 1.061 304 V HN 1.074 nan 8.190 nan 0.000 0.480 305 S N 2.349 118.189 115.700 0.232 0.000 2.790 305 S HA 0.452 4.822 4.470 -0.166 0.000 0.292 305 S C 0.700 175.304 174.600 0.006 0.000 1.197 305 S CA -0.468 57.866 58.200 0.222 0.000 0.851 305 S CB 1.401 64.699 63.200 0.164 0.000 1.217 305 S HN 1.145 nan 8.310 nan 0.000 0.526 306 R N 0.401 120.888 120.500 -0.022 0.000 2.148 306 R HA 0.115 4.355 4.340 -0.166 0.000 0.223 306 R C 1.518 177.810 176.300 -0.013 0.000 1.088 306 R CA 1.674 57.723 56.100 -0.086 0.000 0.985 306 R CB -0.849 29.409 30.300 -0.070 0.000 0.880 306 R HN 0.420 nan 8.270 nan 0.000 0.451 307 S N 1.249 116.967 115.700 0.031 0.000 2.371 307 S HA -0.119 4.251 4.470 -0.166 0.000 0.224 307 S C 2.045 176.678 174.600 0.056 0.000 1.029 307 S CA 1.390 59.617 58.200 0.043 0.000 0.978 307 S CB -0.040 63.190 63.200 0.051 0.000 0.833 307 S HN 0.666 nan 8.310 nan 0.000 0.466 308 S N 2.205 117.949 115.700 0.073 0.000 2.383 308 S HA 0.018 4.388 4.470 -0.166 0.000 0.227 308 S C 2.024 176.705 174.600 0.136 0.000 1.026 308 S CA 0.976 59.236 58.200 0.100 0.000 0.981 308 S CB -0.536 62.732 63.200 0.114 0.000 0.818 308 S HN 0.463 nan 8.310 nan 0.000 0.472 309 A N 2.100 124.989 122.820 0.115 0.000 1.873 309 A HA 0.097 4.318 4.320 -0.166 0.000 0.215 309 A C 2.256 179.865 177.584 0.041 0.000 1.186 309 A CA 1.561 53.678 52.037 0.133 0.000 0.616 309 A CB -1.021 17.994 19.000 0.025 0.000 0.823 309 A HN 0.583 nan 8.150 nan 0.000 0.442 310 L N 0.064 121.299 121.223 0.020 0.000 2.012 310 L HA -0.133 4.107 4.340 -0.166 0.000 0.210 310 L C 2.613 179.507 176.870 0.039 0.000 1.073 310 L CA 2.496 57.345 54.840 0.014 0.000 0.748 310 L CB -0.980 41.089 42.059 0.016 0.000 0.891 310 L HN 0.347 nan 8.230 nan 0.000 0.431 311 A N -1.359 121.500 122.820 0.065 0.000 1.908 311 A HA -0.219 4.002 4.320 -0.166 0.000 0.218 311 A C 2.402 180.064 177.584 0.131 0.000 1.181 311 A CA 2.130 54.215 52.037 0.080 0.000 0.627 311 A CB -1.080 17.959 19.000 0.065 0.000 0.818 311 A HN 0.576 nan 8.150 nan 0.000 0.445 312 S N -0.249 115.558 115.700 0.178 0.000 2.356 312 S HA -0.129 4.241 4.470 -0.166 0.000 0.223 312 S C 2.013 176.774 174.600 0.268 0.000 1.032 312 S CA 1.494 59.864 58.200 0.282 0.000 1.005 312 S CB -0.178 63.240 63.200 0.363 0.000 0.867 312 S HN 0.503 nan 8.310 nan 0.000 0.449 313 K N 1.663 122.152 120.400 0.149 0.000 2.155 313 K HA 0.188 4.408 4.320 -0.166 0.000 0.203 313 K C 2.145 178.802 176.600 0.095 0.000 1.052 313 K CA 1.011 57.382 56.287 0.141 0.000 0.948 313 K CB -0.735 31.757 32.500 -0.014 0.000 0.728 313 K HN 0.360 nan 8.250 nan 0.000 0.448 314 A N 1.137 123.987 122.820 0.050 0.000 1.929 314 A HA -0.111 4.109 4.320 -0.166 0.000 0.216 314 A C 2.172 179.848 177.584 0.154 0.000 1.176 314 A CA 2.210 54.274 52.037 0.044 0.000 0.628 314 A CB -0.529 18.500 19.000 0.048 0.000 0.816 314 A HN 0.462 nan 8.150 nan 0.000 0.444 315 T N -5.899 108.766 114.554 0.185 0.000 2.990 315 T HA 0.428 4.679 4.350 -0.166 0.000 0.249 315 T C 1.422 176.290 174.700 0.281 0.000 1.039 315 T CA 1.112 63.339 62.100 0.212 0.000 1.036 315 T CB 0.396 69.374 68.868 0.183 0.000 0.994 315 T HN 1.670 nan 8.240 nan 0.000 0.489 316 G N 1.255 110.271 108.800 0.359 0.000 2.157 316 G HA2 -0.215 3.645 3.960 -0.166 0.000 0.248 316 G HA3 -0.215 3.645 3.960 -0.166 0.000 0.248 316 G C -0.214 174.970 174.900 0.474 0.000 0.979 316 G CA -0.035 45.338 45.100 0.455 0.000 0.650 316 G HN 0.629 nan 8.290 nan 0.000 0.529 317 F N 3.645 123.766 119.950 0.285 0.000 2.390 317 F HA 0.587 5.014 4.527 -0.167 0.000 0.361 317 F C -1.913 174.043 175.800 0.260 0.000 1.124 317 F CA -3.270 54.882 58.000 0.254 0.000 1.149 317 F CB 1.437 40.524 39.000 0.146 0.000 1.160 317 F HN -0.057 nan 8.300 nan 0.000 0.501 318 P HA 0.145 nan 4.420 nan 0.000 0.260 318 P C 1.176 178.645 177.300 0.281 0.000 1.651 318 P CA 0.252 63.515 63.100 0.271 0.000 1.139 318 P CB 0.088 31.880 31.700 0.153 0.000 1.756 319 I N 2.010 122.834 120.570 0.425 0.000 2.091 319 I HA -0.347 3.723 4.170 -0.166 0.000 0.239 319 I C 2.342 178.582 176.117 0.205 0.000 1.061 319 I CA 1.974 63.496 61.300 0.371 0.000 1.317 319 I CB -0.970 37.191 38.000 0.268 0.000 1.031 319 I HN 0.210 nan 8.210 nan 0.000 0.401 320 A N 0.708 123.591 122.820 0.105 0.000 1.859 320 A HA -0.290 3.930 4.320 -0.166 0.000 0.217 320 A C 2.391 179.985 177.584 0.017 0.000 1.198 320 A CA 2.127 54.179 52.037 0.025 0.000 0.629 320 A CB -0.763 18.182 19.000 -0.092 0.000 0.830 320 A HN 0.324 nan 8.150 nan 0.000 0.446 321 K N -0.711 119.679 120.400 -0.017 0.000 2.032 321 K HA -0.196 4.024 4.320 -0.166 0.000 0.218 321 K C 1.958 178.570 176.600 0.020 0.000 1.054 321 K CA 2.102 58.378 56.287 -0.017 0.000 0.941 321 K CB -0.544 31.937 32.500 -0.031 0.000 0.720 321 K HN 0.302 nan 8.250 nan 0.000 0.449 322 V N 0.869 120.817 119.914 0.057 0.000 2.287 322 V HA -0.287 3.733 4.120 -0.166 0.000 0.248 322 V C 2.370 178.532 176.094 0.112 0.000 1.053 322 V CA 2.077 64.431 62.300 0.090 0.000 1.027 322 V CB -0.779 31.159 31.823 0.191 0.000 0.646 322 V HN 0.464 nan 8.190 nan 0.000 0.447 323 A N -0.083 122.809 122.820 0.120 0.000 1.940 323 A HA -0.135 4.086 4.320 -0.166 0.000 0.219 323 A C 2.439 180.065 177.584 0.071 0.000 1.176 323 A CA 2.144 54.241 52.037 0.100 0.000 0.631 323 A CB -0.782 18.272 19.000 0.091 0.000 0.814 323 A HN 0.589 nan 8.150 nan 0.000 0.446 324 A N 0.079 122.930 122.820 0.051 0.000 1.865 324 A HA -0.203 4.017 4.320 -0.166 0.000 0.217 324 A C 2.124 179.738 177.584 0.051 0.000 1.191 324 A CA 1.849 53.903 52.037 0.028 0.000 0.623 324 A CB -0.481 18.525 19.000 0.011 0.000 0.826 324 A HN 0.527 nan 8.150 nan 0.000 0.444 325 K N -0.973 119.475 120.400 0.080 0.000 2.097 325 K HA -0.085 4.136 4.320 -0.166 0.000 0.206 325 K C 1.795 178.532 176.600 0.229 0.000 1.049 325 K CA 1.119 57.505 56.287 0.166 0.000 0.933 325 K CB -0.381 32.145 32.500 0.045 0.000 0.717 325 K HN 0.315 nan 8.250 nan 0.000 0.442 326 L N 1.072 122.388 121.223 0.154 0.000 2.083 326 L HA -0.141 4.099 4.340 -0.166 0.000 0.209 326 L C 2.334 179.261 176.870 0.095 0.000 1.083 326 L CA 1.567 56.492 54.840 0.141 0.000 0.752 326 L CB -0.760 41.370 42.059 0.117 0.000 0.899 326 L HN 0.134 nan 8.230 nan 0.000 0.433 327 A N -0.936 121.920 122.820 0.061 0.000 2.067 327 A HA -0.088 4.132 4.320 -0.166 0.000 0.219 327 A C 1.780 179.357 177.584 -0.011 0.000 1.158 327 A CA 1.429 53.476 52.037 0.017 0.000 0.661 327 A CB -0.770 18.225 19.000 -0.009 0.000 0.801 327 A HN 0.327 nan 8.150 nan 0.000 0.452 328 V N -3.899 116.017 119.914 0.003 0.000 3.331 328 V HA 0.569 4.589 4.120 -0.166 0.000 0.332 328 V C 1.177 177.272 176.094 0.003 0.000 1.341 328 V CA 0.481 62.763 62.300 -0.029 0.000 1.218 328 V CB -0.977 30.759 31.823 -0.145 0.000 1.152 328 V HN 1.295 nan 8.190 nan 0.000 0.445 329 G N -0.755 108.053 108.800 0.013 0.000 2.195 329 G HA2 -0.307 3.553 3.960 -0.166 0.000 0.246 329 G HA3 -0.307 3.553 3.960 -0.166 0.000 0.246 329 G C -0.078 174.800 174.900 -0.036 0.000 0.984 329 G CA 0.246 45.329 45.100 -0.029 0.000 0.633 329 G HN 0.604 nan 8.290 nan 0.000 0.525 330 Y N 2.058 122.394 120.300 0.060 0.000 2.426 330 Y HA 0.434 4.884 4.550 -0.166 0.000 0.344 330 Y C 1.577 177.512 175.900 0.057 0.000 1.256 330 Y CA 0.939 59.075 58.100 0.060 0.000 1.451 330 Y CB 0.735 39.233 38.460 0.064 0.000 1.342 330 Y HN 0.241 nan 8.280 nan 0.000 0.600 331 T N -0.509 114.190 114.554 0.242 0.000 2.940 331 T HA 0.354 4.605 4.350 -0.166 0.000 0.288 331 T C 0.950 175.748 174.700 0.163 0.000 1.033 331 T CA -0.949 61.248 62.100 0.160 0.000 1.033 331 T CB 1.192 70.126 68.868 0.111 0.000 1.079 331 T HN 0.604 nan 8.240 nan 0.000 0.496 332 L N 0.910 122.219 121.223 0.144 0.000 2.043 332 L HA -0.137 4.104 4.340 -0.166 0.000 0.212 332 L C 2.442 179.393 176.870 0.134 0.000 1.075 332 L CA 1.684 56.618 54.840 0.156 0.000 0.752 332 L CB -0.581 41.584 42.059 0.176 0.000 0.891 332 L HN 0.810 nan 8.230 nan 0.000 0.432 333 D N -0.652 119.817 120.400 0.114 0.000 2.348 333 D HA -0.180 4.360 4.640 -0.166 0.000 0.216 333 D C 1.459 177.804 176.300 0.075 0.000 0.970 333 D CA 0.788 54.840 54.000 0.087 0.000 0.889 333 D CB -0.218 40.627 40.800 0.075 0.000 0.912 333 D HN 0.473 nan 8.370 nan 0.000 0.524 334 E N -0.173 120.088 120.200 0.102 0.000 2.400 334 E HA 0.161 4.412 4.350 -0.166 0.000 0.195 334 E C 0.471 177.103 176.600 0.053 0.000 1.012 334 E CA -0.000 56.468 56.400 0.113 0.000 0.875 334 E CB 0.527 30.363 29.700 0.227 0.000 0.859 334 E HN 0.331 nan 8.360 nan 0.000 0.498 335 L N 1.055 122.294 121.223 0.026 0.000 2.344 335 L HA 0.364 4.604 4.340 -0.166 0.000 0.272 335 L C 0.033 176.875 176.870 -0.048 0.000 1.035 335 L CA -0.908 53.904 54.840 -0.048 0.000 0.807 335 L CB 0.934 42.959 42.059 -0.058 0.000 1.237 335 L HN -0.074 nan 8.230 nan 0.000 0.442 336 M N 1.794 121.343 119.600 -0.084 0.000 2.209 336 M HA 0.211 4.592 4.480 -0.166 0.000 0.355 336 M C -0.350 175.879 176.300 -0.118 0.000 1.171 336 M CA -0.663 54.578 55.300 -0.098 0.000 1.069 336 M CB 0.629 33.173 32.600 -0.093 0.000 1.622 336 M HN 0.436 nan 8.290 nan 0.000 0.459 337 N N 2.149 120.758 118.700 -0.151 0.000 2.427 337 N HA -0.013 4.627 4.740 -0.166 0.000 0.269 337 N C 0.475 175.905 175.510 -0.134 0.000 1.235 337 N CA 0.390 53.343 53.050 -0.162 0.000 0.934 337 N CB 0.409 38.756 38.487 -0.232 0.000 1.121 337 N HN 0.459 nan 8.380 nan 0.000 0.480 338 D N 2.553 122.892 120.400 -0.101 0.000 2.204 338 D HA -0.264 4.276 4.640 -0.166 0.000 0.189 338 D C 1.647 177.877 176.300 -0.117 0.000 1.006 338 D CA 2.179 56.148 54.000 -0.051 0.000 0.855 338 D CB -0.136 40.713 40.800 0.082 0.000 0.946 338 D HN 0.809 nan 8.370 nan 0.000 0.448 339 I N -1.626 118.838 120.570 -0.176 0.000 3.001 339 I HA -0.029 4.042 4.170 -0.166 0.000 0.268 339 I C 1.185 177.240 176.117 -0.103 0.000 1.267 339 I CA 1.167 62.342 61.300 -0.207 0.000 1.472 339 I CB -0.480 37.351 38.000 -0.282 0.000 1.089 339 I HN -0.076 nan 8.210 nan 0.000 0.468 340 T N -1.578 112.919 114.554 -0.095 0.000 3.312 340 T HA 0.463 4.714 4.350 -0.166 0.000 0.251 340 T C 1.352 176.002 174.700 -0.084 0.000 1.012 340 T CA 0.072 62.126 62.100 -0.078 0.000 0.925 340 T CB -0.389 68.398 68.868 -0.136 0.000 1.049 340 T HN 0.697 nan 8.240 nan 0.000 0.583 341 G N 0.788 109.543 108.800 -0.074 0.000 2.225 341 G HA2 0.023 3.883 3.960 -0.166 0.000 0.267 341 G HA3 0.023 3.883 3.960 -0.166 0.000 0.267 341 G C 1.071 175.928 174.900 -0.072 0.000 1.024 341 G CA 0.165 45.230 45.100 -0.059 0.000 0.784 341 G HN 1.827 nan 8.290 nan 0.000 0.507 342 G N -0.339 108.404 108.800 -0.096 0.000 2.168 342 G HA2 -0.333 3.528 3.960 -0.166 0.000 0.257 342 G HA3 -0.333 3.528 3.960 -0.166 0.000 0.257 342 G C 1.327 176.154 174.900 -0.123 0.000 0.997 342 G CA 1.581 46.619 45.100 -0.103 0.000 0.708 342 G HN 1.741 nan 8.290 nan 0.000 0.520 343 R N -0.031 120.379 120.500 -0.149 0.000 2.119 343 R HA 0.081 4.321 4.340 -0.166 0.000 0.222 343 R C 1.215 177.360 176.300 -0.259 0.000 1.088 343 R CA 1.662 57.659 56.100 -0.170 0.000 0.984 343 R CB -0.380 29.832 30.300 -0.146 0.000 0.884 343 R HN 0.816 nan 8.270 nan 0.000 0.447 344 T N -0.517 113.825 114.554 -0.353 0.000 2.912 344 T HA 0.556 4.807 4.350 -0.166 0.000 0.288 344 T C -2.680 171.822 174.700 -0.329 0.000 1.030 344 T CA -2.619 59.213 62.100 -0.447 0.000 1.020 344 T CB 2.573 70.960 68.868 -0.802 0.000 1.056 344 T HN -0.032 nan 8.240 nan 0.000 0.480 345 P HA 0.327 nan 4.420 nan 0.000 0.275 345 P C 0.236 177.506 177.300 -0.051 0.000 1.266 345 P CA -0.483 62.550 63.100 -0.112 0.000 0.793 345 P CB 0.480 32.162 31.700 -0.031 0.000 1.074 346 A N 0.030 122.920 122.820 0.117 0.000 2.238 346 A HA 0.071 4.292 4.320 -0.166 0.000 0.210 346 A C 1.053 179.002 177.584 0.609 0.000 1.179 346 A CA 0.287 52.543 52.037 0.364 0.000 0.827 346 A CB -1.042 18.046 19.000 0.147 0.000 0.856 346 A HN 0.545 nan 8.150 nan 0.000 0.488 347 S N 0.929 116.861 115.700 0.387 0.000 3.919 347 S HA 0.533 4.904 4.470 -0.166 0.000 0.245 347 S C -0.310 174.546 174.600 0.427 0.000 1.344 347 S CA -0.507 57.890 58.200 0.328 0.000 0.896 347 S CB -1.476 61.838 63.200 0.190 0.000 1.557 347 S HN 0.756 nan 8.310 nan 0.000 0.468 348 F N -1.728 118.314 119.950 0.154 0.000 2.773 348 F HA 0.629 5.056 4.527 -0.166 0.000 0.314 348 F C -1.310 174.557 175.800 0.113 0.000 1.160 348 F CA -1.340 56.733 58.000 0.121 0.000 0.920 348 F CB 0.887 39.958 39.000 0.119 0.000 1.323 348 F HN 0.105 nan 8.300 nan 0.000 0.457 349 E N 2.956 123.013 120.200 -0.237 0.000 2.109 349 E HA 0.354 4.605 4.350 -0.166 0.000 0.278 349 E C -2.526 173.880 176.600 -0.323 0.000 0.954 349 E CA -2.018 54.175 56.400 -0.346 0.000 0.779 349 E CB 1.282 30.915 29.700 -0.111 0.000 1.093 349 E HN 0.277 nan 8.360 nan 0.000 0.401 350 P HA -0.050 nan 4.420 nan 0.000 0.268 350 P C -0.635 176.664 177.300 -0.001 0.000 1.208 350 P CA -0.068 62.963 63.100 -0.114 0.000 0.777 350 P CB 0.802 32.466 31.700 -0.059 0.000 0.875 351 S N 1.362 117.109 115.700 0.080 0.000 2.538 351 S HA 0.731 5.101 4.470 -0.166 0.000 0.288 351 S C -0.571 173.991 174.600 -0.063 0.000 1.108 351 S CA -0.840 57.356 58.200 -0.006 0.000 0.971 351 S CB 0.126 63.331 63.200 0.008 0.000 1.041 351 S HN 0.360 nan 8.310 nan 0.000 0.483 352 I N 1.478 121.930 120.570 -0.197 0.000 2.693 352 I HA 0.694 4.765 4.170 -0.166 0.000 0.303 352 I C -0.838 175.020 176.117 -0.430 0.000 1.025 352 I CA -0.929 60.097 61.300 -0.457 0.000 1.086 352 I CB 2.230 39.725 38.000 -0.842 0.000 1.268 352 I HN 0.568 nan 8.210 nan 0.000 0.440 353 D N 3.948 124.054 120.400 -0.490 0.000 2.892 353 D HA 0.285 4.826 4.640 -0.166 0.000 0.291 353 D C -0.685 175.590 176.300 -0.042 0.000 1.341 353 D CA -0.206 53.687 54.000 -0.179 0.000 0.844 353 D CB -0.258 40.542 40.800 -0.001 0.000 1.093 353 D HN 0.728 nan 8.370 nan 0.000 0.480 354 Y N -3.554 116.750 120.300 0.006 0.000 2.788 354 Y HA 0.658 5.109 4.550 -0.166 0.000 0.335 354 Y C -1.511 174.369 175.900 -0.034 0.000 1.287 354 Y CA -1.717 56.366 58.100 -0.029 0.000 1.068 354 Y CB 0.806 39.140 38.460 -0.210 0.000 1.340 354 Y HN -0.216 nan 8.280 nan 0.000 0.449 355 V N 2.146 122.188 119.914 0.214 0.000 2.448 355 V HA 0.585 4.605 4.120 -0.166 0.000 0.295 355 V C -0.695 175.489 176.094 0.151 0.000 1.025 355 V CA -0.839 61.562 62.300 0.169 0.000 0.859 355 V CB 1.476 33.414 31.823 0.192 0.000 0.988 355 V HN 0.641 nan 8.190 nan 0.000 0.431 356 V N 3.998 123.991 119.914 0.132 0.000 2.398 356 V HA 0.553 4.574 4.120 -0.166 0.000 0.286 356 V C 0.204 176.333 176.094 0.058 0.000 1.026 356 V CA -0.200 62.137 62.300 0.061 0.000 0.868 356 V CB 1.899 33.750 31.823 0.047 0.000 0.982 356 V HN 0.953 nan 8.190 nan 0.000 0.443 357 T N 5.225 119.795 114.554 0.027 0.000 2.824 357 T HA 0.428 4.679 4.350 -0.166 0.000 0.282 357 T C -0.526 174.171 174.700 -0.005 0.000 0.993 357 T CA -0.660 61.450 62.100 0.017 0.000 0.967 357 T CB 1.535 70.403 68.868 0.001 0.000 0.960 357 T HN 0.666 nan 8.240 nan 0.000 0.441 358 K N 3.761 124.151 120.400 -0.017 0.000 2.221 358 K HA 0.649 4.869 4.320 -0.166 0.000 0.258 358 K C -1.327 175.240 176.600 -0.055 0.000 0.944 358 K CA -0.713 55.564 56.287 -0.017 0.000 0.823 358 K CB 0.981 33.480 32.500 -0.002 0.000 1.113 358 K HN 0.588 nan 8.250 nan 0.000 0.431 359 I N 5.689 126.229 120.570 -0.051 0.000 2.466 359 I HA 0.317 4.387 4.170 -0.166 0.000 0.289 359 I C -2.278 173.808 176.117 -0.052 0.000 1.026 359 I CA -2.738 58.524 61.300 -0.064 0.000 1.078 359 I CB 2.071 40.017 38.000 -0.090 0.000 1.249 359 I HN 0.483 nan 8.210 nan 0.000 0.429 360 P HA 0.189 nan 4.420 nan 0.000 0.272 360 P C -0.917 176.191 177.300 -0.319 0.000 1.230 360 P CA -0.495 62.464 63.100 -0.235 0.000 0.788 360 P CB 0.662 32.152 31.700 -0.351 0.000 0.949 361 R N 1.736 121.952 120.500 -0.473 0.000 2.439 361 R HA 0.580 4.820 4.340 -0.166 0.000 0.310 361 R C -1.249 174.751 176.300 -0.499 0.000 0.955 361 R CA -0.422 55.501 56.100 -0.295 0.000 0.853 361 R CB -0.107 30.118 30.300 -0.125 0.000 1.171 361 R HN 0.271 nan 8.270 nan 0.000 0.449 362 F N 1.716 121.686 119.950 0.033 0.000 2.525 362 F HA 0.479 4.899 4.527 -0.177 0.000 0.346 362 F C 0.805 176.562 175.800 -0.072 0.000 1.072 362 F CA -0.777 57.183 58.000 -0.068 0.000 1.033 362 F CB 1.646 40.612 39.000 -0.055 0.000 1.324 362 F HN 0.539 nan 8.300 nan 0.000 0.491 363 N N -0.594 118.130 118.700 0.041 0.000 2.545 363 N HA 0.202 4.842 4.740 -0.166 0.000 0.283 363 N C 0.224 175.761 175.510 0.044 0.000 1.596 363 N CA 0.004 53.083 53.050 0.048 0.000 0.862 363 N CB 0.150 38.689 38.487 0.086 0.000 1.422 363 N HN 0.362 nan 8.380 nan 0.000 0.489 364 F N 1.699 121.748 119.950 0.165 0.000 2.307 364 F HA -0.190 4.226 4.527 -0.186 0.000 0.301 364 F C 2.709 178.505 175.800 -0.007 0.000 1.076 364 F CA 0.952 58.991 58.000 0.065 0.000 1.383 364 F CB 0.043 39.052 39.000 0.014 0.000 1.055 364 F HN 0.324 nan 8.300 nan 0.000 0.526 365 E N 1.312 121.588 120.200 0.126 0.000 2.204 365 E HA -0.212 4.039 4.350 -0.166 0.000 0.194 365 E C 1.422 177.950 176.600 -0.120 0.000 0.989 365 E CA 1.221 57.628 56.400 0.011 0.000 0.824 365 E CB -0.660 29.035 29.700 -0.008 0.000 0.756 365 E HN 0.403 nan 8.360 nan 0.000 0.477 366 K N -0.030 120.202 120.400 -0.279 0.000 2.432 366 K HA 0.072 4.292 4.320 -0.166 0.000 0.196 366 K C -0.165 175.867 176.600 -0.946 0.000 1.038 366 K CA 0.237 56.140 56.287 -0.640 0.000 0.986 366 K CB 0.023 31.992 32.500 -0.885 0.000 0.782 366 K HN 0.075 nan 8.250 nan 0.000 0.485 367 F N 1.142 121.033 119.950 -0.097 0.000 2.311 367 F HA 0.320 4.843 4.527 -0.006 0.000 0.371 367 F C 0.079 175.846 175.800 -0.055 0.000 1.083 367 F CA -1.254 56.669 58.000 -0.129 0.000 1.113 367 F CB 1.079 39.797 39.000 -0.470 0.000 1.349 367 F HN -0.176 nan 8.300 nan 0.000 0.470 368 A N 2.043 124.923 122.820 0.100 0.000 2.302 368 A HA 0.573 4.793 4.320 -0.166 0.000 0.295 368 A C 1.141 178.778 177.584 0.087 0.000 1.235 368 A CA 0.503 52.578 52.037 0.064 0.000 0.876 368 A CB -0.280 18.736 19.000 0.027 0.000 1.133 368 A HN 1.380 nan 8.150 nan 0.000 0.533 369 G N 1.245 110.084 108.800 0.065 0.000 2.218 369 G HA2 0.156 4.017 3.960 -0.166 0.000 0.216 369 G HA3 0.156 4.017 3.960 -0.166 0.000 0.216 369 G C 0.593 175.541 174.900 0.080 0.000 0.994 369 G CA 0.064 45.199 45.100 0.059 0.000 0.637 369 G HN 2.056 nan 8.290 nan 0.000 0.505 370 A N 0.483 123.368 122.820 0.109 0.000 2.440 370 A HA 0.532 4.752 4.320 -0.166 0.000 0.251 370 A C 0.646 178.283 177.584 0.088 0.000 1.089 370 A CA 0.353 52.475 52.037 0.142 0.000 0.779 370 A CB 0.241 19.288 19.000 0.077 0.000 1.022 370 A HN 0.669 nan 8.150 nan 0.000 0.492 371 N N 1.760 120.529 118.700 0.115 0.000 2.452 371 N HA -0.008 4.632 4.740 -0.166 0.000 0.266 371 N C -0.400 175.076 175.510 -0.056 0.000 1.209 371 N CA 0.231 53.297 53.050 0.027 0.000 0.929 371 N CB 0.810 39.336 38.487 0.065 0.000 1.063 371 N HN 0.618 nan 8.380 nan 0.000 0.472 372 D N 2.194 122.394 120.400 -0.334 0.000 2.463 372 D HA 0.092 4.632 4.640 -0.166 0.000 0.224 372 D C -0.126 175.749 176.300 -0.708 0.000 1.174 372 D CA -0.215 53.207 54.000 -0.964 0.000 0.829 372 D CB 0.187 40.229 40.800 -1.264 0.000 0.993 372 D HN 0.202 nan 8.370 nan 0.000 0.497 373 R N 0.655 120.981 120.500 -0.289 0.000 2.457 373 R HA 0.443 4.683 4.340 -0.166 0.000 0.284 373 R C 0.354 176.631 176.300 -0.038 0.000 1.024 373 R CA -0.692 55.310 56.100 -0.163 0.000 1.025 373 R CB 1.361 31.609 30.300 -0.088 0.000 1.063 373 R HN 0.168 nan 8.270 nan 0.000 0.493 374 L N 0.804 122.025 121.223 -0.003 0.000 2.397 374 L HA 0.347 4.587 4.340 -0.166 0.000 0.271 374 L C 1.205 178.148 176.870 0.121 0.000 1.148 374 L CA 0.011 54.913 54.840 0.103 0.000 0.825 374 L CB 0.850 42.984 42.059 0.124 0.000 1.117 374 L HN 0.656 nan 8.230 nan 0.000 0.456 375 T N -1.550 113.097 114.554 0.155 0.000 2.587 375 T HA 0.178 4.428 4.350 -0.166 0.000 0.282 375 T C 0.930 175.720 174.700 0.150 0.000 1.018 375 T CA 0.362 62.545 62.100 0.137 0.000 1.120 375 T CB 1.062 70.003 68.868 0.122 0.000 1.538 375 T HN 0.735 nan 8.240 nan 0.000 0.480 376 T N -0.441 114.185 114.554 0.119 0.000 3.055 376 T HA 0.145 4.396 4.350 -0.166 0.000 0.265 376 T C 0.807 175.598 174.700 0.150 0.000 1.111 376 T CA 0.509 62.695 62.100 0.144 0.000 1.118 376 T CB -0.194 68.724 68.868 0.082 0.000 0.909 376 T HN 0.562 nan 8.240 nan 0.000 0.501 377 Q N 1.263 121.107 119.800 0.073 0.000 2.331 377 Q HA 0.386 4.626 4.340 -0.166 0.000 0.257 377 Q C -0.543 175.432 176.000 -0.041 0.000 0.957 377 Q CA -0.534 55.258 55.803 -0.018 0.000 0.923 377 Q CB 0.716 29.432 28.738 -0.038 0.000 1.212 377 Q HN 0.412 nan 8.270 nan 0.000 0.443 378 M N 3.722 123.196 119.600 -0.210 0.000 2.245 378 M HA -0.057 4.324 4.480 -0.166 0.000 0.335 378 M C 0.391 176.664 176.300 -0.045 0.000 1.155 378 M CA 1.341 56.558 55.300 -0.139 0.000 1.055 378 M CB 0.418 32.850 32.600 -0.280 0.000 1.670 378 M HN 0.586 nan 8.290 nan 0.000 0.447 379 K N 0.200 120.676 120.400 0.127 0.000 2.517 379 K HA 0.132 4.353 4.320 -0.166 0.000 0.210 379 K C 0.030 176.721 176.600 0.151 0.000 1.166 379 K CA -0.142 56.236 56.287 0.153 0.000 1.030 379 K CB 0.754 33.515 32.500 0.435 0.000 0.974 379 K HN 0.747 nan 8.250 nan 0.000 0.585 380 S N 0.254 115.956 115.700 0.004 0.000 2.614 380 S HA 0.146 4.516 4.470 -0.166 0.000 0.265 380 S C 1.250 175.724 174.600 -0.210 0.000 1.303 380 S CA -0.681 57.297 58.200 -0.369 0.000 1.000 380 S CB 1.492 64.155 63.200 -0.894 0.000 0.935 380 S HN 0.033 nan 8.310 nan 0.000 0.551 381 V N -2.078 117.709 119.914 -0.213 0.000 3.621 381 V HA 0.626 4.646 4.120 -0.166 0.000 0.263 381 V C 0.821 176.847 176.094 -0.114 0.000 1.272 381 V CA 0.696 62.931 62.300 -0.108 0.000 1.080 381 V CB -0.799 31.002 31.823 -0.037 0.000 0.816 381 V HN 1.138 nan 8.190 nan 0.000 0.451 382 G N 0.456 109.156 108.800 -0.166 0.000 2.650 382 G HA2 0.689 4.550 3.960 -0.166 0.000 0.310 382 G HA3 0.689 4.550 3.960 -0.166 0.000 0.310 382 G C -1.701 173.107 174.900 -0.152 0.000 1.270 382 G CA -0.068 44.959 45.100 -0.122 0.000 0.810 382 G HN 0.628 nan 8.290 nan 0.000 0.493 383 E N -2.180 117.961 120.200 -0.099 0.000 2.401 383 E HA 0.599 4.849 4.350 -0.166 0.000 0.280 383 E C -2.020 174.560 176.600 -0.033 0.000 1.039 383 E CA -0.952 55.400 56.400 -0.081 0.000 0.814 383 E CB 2.323 31.982 29.700 -0.070 0.000 1.275 383 E HN 0.825 nan 8.360 nan 0.000 0.448 384 V N 1.789 121.697 119.914 -0.009 0.000 2.914 384 V HA 0.738 4.758 4.120 -0.166 0.000 0.314 384 V C -1.170 174.968 176.094 0.073 0.000 1.084 384 V CA -0.738 61.582 62.300 0.033 0.000 0.963 384 V CB 1.968 33.806 31.823 0.024 0.000 1.025 384 V HN 0.841 nan 8.190 nan 0.000 0.432 385 M N 5.412 125.119 119.600 0.179 0.000 2.530 385 M HA 0.907 5.288 4.480 -0.166 0.000 0.307 385 M C -1.130 175.338 176.300 0.280 0.000 1.161 385 M CA -0.379 55.044 55.300 0.206 0.000 0.903 385 M CB 2.051 34.795 32.600 0.240 0.000 1.711 385 M HN 0.887 nan 8.290 nan 0.000 0.451 386 A N 4.302 127.196 122.820 0.123 0.000 2.539 386 A HA 0.854 5.074 4.320 -0.166 0.000 0.296 386 A C -1.635 175.940 177.584 -0.014 0.000 1.073 386 A CA -0.748 51.357 52.037 0.114 0.000 0.700 386 A CB 1.519 20.569 19.000 0.083 0.000 1.296 386 A HN 0.868 nan 8.150 nan 0.000 0.405 387 I N 1.235 121.773 120.570 -0.053 0.000 2.436 387 I HA 0.633 4.703 4.170 -0.166 0.000 0.289 387 I C 0.489 176.517 176.117 -0.149 0.000 1.010 387 I CA -0.418 60.713 61.300 -0.283 0.000 1.098 387 I CB 2.282 39.843 38.000 -0.732 0.000 1.266 387 I HN 0.807 nan 8.210 nan 0.000 0.434 388 G N 4.204 112.948 108.800 -0.093 0.000 2.642 388 G HA2 0.405 4.265 3.960 -0.166 0.000 0.293 388 G HA3 0.405 4.265 3.960 -0.166 0.000 0.293 388 G C 0.088 175.077 174.900 0.149 0.000 1.341 388 G CA -0.474 44.675 45.100 0.081 0.000 0.916 388 G HN 0.447 nan 8.290 nan 0.000 0.474 389 R N -0.741 119.894 120.500 0.225 0.000 2.275 389 R HA 0.109 4.350 4.340 -0.166 0.000 0.199 389 R C 0.761 177.166 176.300 0.174 0.000 0.989 389 R CA 1.023 57.265 56.100 0.236 0.000 1.016 389 R CB 0.011 30.449 30.300 0.229 0.000 0.918 389 R HN 0.730 nan 8.270 nan 0.000 0.473 390 T N -4.529 110.116 114.554 0.152 0.000 2.868 390 T HA 0.146 4.396 4.350 -0.166 0.000 0.306 390 T C 0.619 175.400 174.700 0.135 0.000 1.224 390 T CA -0.848 61.332 62.100 0.134 0.000 1.012 390 T CB 2.208 71.134 68.868 0.096 0.000 1.221 390 T HN -0.207 nan 8.240 nan 0.000 0.499 391 Q N 0.761 120.658 119.800 0.161 0.000 2.112 391 Q HA -0.180 4.060 4.340 -0.166 0.000 0.206 391 Q C 2.130 178.198 176.000 0.113 0.000 0.987 391 Q CA 2.275 58.192 55.803 0.191 0.000 0.858 391 Q CB -0.508 28.367 28.738 0.229 0.000 0.905 391 Q HN 0.815 nan 8.270 nan 0.000 0.420 392 Q N -0.374 119.457 119.800 0.052 0.000 2.079 392 Q HA -0.184 4.057 4.340 -0.166 0.000 0.200 392 Q C 2.049 178.051 176.000 0.003 0.000 0.974 392 Q CA 1.492 57.307 55.803 0.021 0.000 0.840 392 Q CB -0.147 28.582 28.738 -0.015 0.000 0.898 392 Q HN 0.555 nan 8.270 nan 0.000 0.430 393 E N 0.171 120.388 120.200 0.029 0.000 2.031 393 E HA -0.218 4.033 4.350 -0.166 0.000 0.193 393 E C 2.106 178.729 176.600 0.040 0.000 0.994 393 E CA 1.353 57.776 56.400 0.038 0.000 0.800 393 E CB -0.103 29.654 29.700 0.095 0.000 0.752 393 E HN 0.147 nan 8.360 nan 0.000 0.447 394 S N -0.148 115.589 115.700 0.062 0.000 2.359 394 S HA -0.192 4.178 4.470 -0.166 0.000 0.224 394 S C 1.954 176.565 174.600 0.017 0.000 1.035 394 S CA 1.377 59.608 58.200 0.052 0.000 1.018 394 S CB -0.408 62.839 63.200 0.078 0.000 0.876 394 S HN 0.343 nan 8.310 nan 0.000 0.448 395 L N 1.827 123.058 121.223 0.013 0.000 2.017 395 L HA -0.059 4.182 4.340 -0.166 0.000 0.208 395 L C 2.469 179.269 176.870 -0.117 0.000 1.073 395 L CA 1.941 56.752 54.840 -0.048 0.000 0.745 395 L CB -0.938 41.128 42.059 0.011 0.000 0.894 395 L HN 0.357 nan 8.230 nan 0.000 0.432 396 Q N -0.483 119.256 119.800 -0.102 0.000 2.124 396 Q HA -0.230 4.010 4.340 -0.166 0.000 0.202 396 Q C 2.239 178.173 176.000 -0.111 0.000 0.977 396 Q CA 1.645 57.346 55.803 -0.171 0.000 0.850 396 Q CB -0.127 28.491 28.738 -0.201 0.000 0.901 396 Q HN 0.578 nan 8.270 nan 0.000 0.429 397 K N 0.567 120.941 120.400 -0.043 0.000 2.026 397 K HA -0.128 4.092 4.320 -0.166 0.000 0.208 397 K C 2.146 178.747 176.600 0.001 0.000 1.048 397 K CA 1.208 57.500 56.287 0.010 0.000 0.929 397 K CB -0.198 32.340 32.500 0.064 0.000 0.713 397 K HN 0.124 nan 8.250 nan 0.000 0.439 398 A N 1.477 124.285 122.820 -0.019 0.000 1.908 398 A HA -0.169 4.051 4.320 -0.166 0.000 0.218 398 A C 2.135 179.690 177.584 -0.049 0.000 1.181 398 A CA 1.334 53.358 52.037 -0.021 0.000 0.627 398 A CB -0.718 18.255 19.000 -0.045 0.000 0.818 398 A HN 0.176 nan 8.150 nan 0.000 0.445 399 L N -0.387 120.765 121.223 -0.119 0.000 1.989 399 L HA -0.259 3.981 4.340 -0.166 0.000 0.211 399 L C 2.808 179.672 176.870 -0.010 0.000 1.071 399 L CA 2.092 56.863 54.840 -0.115 0.000 0.749 399 L CB -0.491 41.384 42.059 -0.306 0.000 0.890 399 L HN 0.624 nan 8.230 nan 0.000 0.431 400 R N 0.002 120.488 120.500 -0.022 0.000 2.316 400 R HA -0.025 4.215 4.340 -0.166 0.000 0.202 400 R C 1.642 177.953 176.300 0.018 0.000 1.029 400 R CA 1.094 57.199 56.100 0.009 0.000 1.018 400 R CB -0.502 29.805 30.300 0.012 0.000 0.888 400 R HN 0.259 nan 8.270 nan 0.000 0.471 401 G N 0.499 109.310 108.800 0.019 0.000 3.126 401 G HA2 -0.000 3.860 3.960 -0.166 0.000 0.224 401 G HA3 -0.000 3.860 3.960 -0.166 0.000 0.224 401 G C 0.923 175.832 174.900 0.015 0.000 1.142 401 G CA -0.401 44.710 45.100 0.018 0.000 0.759 401 G HN 0.214 nan 8.290 nan 0.000 0.550 402 L N 0.464 121.705 121.223 0.031 0.000 2.465 402 L HA 0.176 4.417 4.340 -0.166 0.000 0.224 402 L C 0.941 177.831 176.870 0.033 0.000 1.145 402 L CA 0.672 55.539 54.840 0.045 0.000 0.834 402 L CB -0.202 41.918 42.059 0.103 0.000 0.944 402 L HN 0.201 nan 8.230 nan 0.000 0.451 403 E N -0.735 119.474 120.200 0.014 0.000 2.416 403 E HA -0.182 4.068 4.350 -0.166 0.000 0.249 403 E C 0.543 177.139 176.600 -0.006 0.000 1.124 403 E CA 0.925 57.321 56.400 -0.007 0.000 0.732 403 E CB -2.269 27.416 29.700 -0.026 0.000 1.286 403 E HN 0.454 nan 8.360 nan 0.000 0.394 404 V N -4.090 115.824 119.914 -0.001 0.000 3.166 404 V HA 0.618 4.638 4.120 -0.166 0.000 0.332 404 V C 1.230 177.272 176.094 -0.086 0.000 1.434 404 V CA 0.768 63.048 62.300 -0.032 0.000 1.121 404 V CB 0.627 32.440 31.823 -0.016 0.000 1.062 404 V HN 0.613 nan 8.190 nan 0.000 0.489 405 G N 0.205 108.969 108.800 -0.061 0.000 2.159 405 G HA2 -0.074 3.787 3.960 -0.166 0.000 0.256 405 G HA3 -0.074 3.787 3.960 -0.166 0.000 0.256 405 G C 0.426 175.278 174.900 -0.080 0.000 0.977 405 G CA 0.290 45.347 45.100 -0.073 0.000 0.652 405 G HN 1.777 nan 8.290 nan 0.000 0.531 406 A N -0.024 122.758 122.820 -0.063 0.000 2.316 406 A HA 0.788 5.008 4.320 -0.166 0.000 0.284 406 A C 1.340 178.937 177.584 0.022 0.000 1.115 406 A CA 1.134 53.156 52.037 -0.025 0.000 0.812 406 A CB 0.721 19.772 19.000 0.085 0.000 1.064 406 A HN 1.494 nan 8.150 nan 0.000 0.489 407 T N -1.253 113.323 114.554 0.038 0.000 3.044 407 T HA 0.538 4.789 4.350 -0.166 0.000 0.260 407 T C 0.819 175.551 174.700 0.054 0.000 1.019 407 T CA 0.995 63.122 62.100 0.045 0.000 0.921 407 T CB -0.223 68.676 68.868 0.053 0.000 1.053 407 T HN 2.243 nan 8.240 nan 0.000 0.533 408 G N 1.300 110.131 108.800 0.053 0.000 2.384 408 G HA2 0.203 4.063 3.960 -0.166 0.000 0.113 408 G HA3 0.203 4.063 3.960 -0.166 0.000 0.113 408 G C -1.306 173.595 174.900 0.001 0.000 1.224 408 G CA -0.783 44.294 45.100 -0.038 0.000 1.126 408 G HN 0.142 nan 8.290 nan 0.000 0.461 409 F N 3.714 123.777 119.950 0.188 0.000 2.733 409 F HA 0.280 4.708 4.527 -0.165 0.000 0.344 409 F C 0.602 176.579 175.800 0.295 0.000 1.179 409 F CA -0.491 57.667 58.000 0.265 0.000 1.316 409 F CB -0.120 38.970 39.000 0.151 0.000 1.577 409 F HN 0.078 nan 8.300 nan 0.000 0.591 410 D N 3.014 123.637 120.400 0.371 0.000 2.443 410 D HA 0.040 4.581 4.640 -0.166 0.000 0.239 410 D C -2.185 174.203 176.300 0.147 0.000 1.136 410 D CA -0.828 53.276 54.000 0.172 0.000 0.879 410 D CB 0.667 41.474 40.800 0.011 0.000 1.195 410 D HN 0.110 nan 8.370 nan 0.000 0.443 411 P HA 0.163 nan 4.420 nan 0.000 0.275 411 P C 0.090 177.352 177.300 -0.063 0.000 1.228 411 P CA -0.301 62.822 63.100 0.039 0.000 0.786 411 P CB 1.141 32.870 31.700 0.049 0.000 0.927 412 K N 0.855 121.180 120.400 -0.125 0.000 2.365 412 K HA 0.160 4.380 4.320 -0.166 0.000 0.195 412 K C 0.237 176.799 176.600 -0.065 0.000 1.079 412 K CA 0.334 56.493 56.287 -0.213 0.000 0.979 412 K CB 0.506 32.633 32.500 -0.621 0.000 0.929 412 K HN 0.423 nan 8.250 nan 0.000 0.523 413 V N -2.362 117.550 119.914 -0.004 0.000 2.876 413 V HA 0.512 4.533 4.120 -0.166 0.000 0.312 413 V C -0.311 175.812 176.094 0.048 0.000 1.085 413 V CA -1.133 61.205 62.300 0.064 0.000 0.945 413 V CB 1.779 33.686 31.823 0.141 0.000 1.017 413 V HN -0.098 nan 8.190 nan 0.000 0.428 414 S N 2.279 118.005 115.700 0.044 0.000 2.564 414 S HA 0.371 4.741 4.470 -0.166 0.000 0.278 414 S C 1.335 175.961 174.600 0.043 0.000 1.333 414 S CA -0.460 57.762 58.200 0.037 0.000 1.048 414 S CB 0.462 63.678 63.200 0.028 0.000 0.900 414 S HN 0.851 nan 8.310 nan 0.000 0.505 415 L N 2.806 124.053 121.223 0.041 0.000 2.079 415 L HA -0.087 4.153 4.340 -0.166 0.000 0.210 415 L C 1.446 178.338 176.870 0.036 0.000 1.081 415 L CA 1.756 56.622 54.840 0.043 0.000 0.752 415 L CB -1.286 40.799 42.059 0.043 0.000 0.896 415 L HN 0.615 nan 8.230 nan 0.000 0.433 416 D N -1.366 119.052 120.400 0.030 0.000 2.340 416 D HA -0.041 4.499 4.640 -0.166 0.000 0.220 416 D C 0.531 176.846 176.300 0.024 0.000 1.039 416 D CA -0.214 53.801 54.000 0.025 0.000 0.866 416 D CB -0.311 40.502 40.800 0.021 0.000 0.913 416 D HN 0.228 nan 8.370 nan 0.000 0.523 417 D N 0.932 121.349 120.400 0.029 0.000 2.348 417 D HA 0.061 4.602 4.640 -0.166 0.000 0.253 417 D C -1.313 175.003 176.300 0.026 0.000 1.161 417 D CA -2.152 51.864 54.000 0.027 0.000 0.876 417 D CB 1.512 42.332 40.800 0.033 0.000 1.160 417 D HN -0.105 nan 8.370 nan 0.000 0.459 418 P HA -0.039 nan 4.420 nan 0.000 0.223 418 P C 0.542 177.851 177.300 0.016 0.000 1.151 418 P CA 0.823 63.933 63.100 0.017 0.000 0.787 418 P CB 0.429 32.136 31.700 0.012 0.000 0.788 419 E N -0.707 119.503 120.200 0.017 0.000 2.415 419 E HA 0.142 4.392 4.350 -0.166 0.000 0.197 419 E C 1.929 178.541 176.600 0.021 0.000 1.007 419 E CA 0.250 56.658 56.400 0.013 0.000 0.890 419 E CB -0.143 29.562 29.700 0.009 0.000 0.891 419 E HN 0.100 nan 8.360 nan 0.000 0.496 420 A N 1.681 124.521 122.820 0.035 0.000 1.958 420 A HA -0.210 4.010 4.320 -0.166 0.000 0.221 420 A C 2.180 179.793 177.584 0.049 0.000 1.178 420 A CA 1.193 53.263 52.037 0.055 0.000 0.642 420 A CB -0.674 18.364 19.000 0.064 0.000 0.816 420 A HN 0.194 nan 8.150 nan 0.000 0.453 421 L N -1.517 119.725 121.223 0.032 0.000 2.141 421 L HA -0.121 4.119 4.340 -0.166 0.000 0.209 421 L C 2.772 179.645 176.870 0.004 0.000 1.094 421 L CA 1.587 56.441 54.840 0.024 0.000 0.763 421 L CB -0.475 41.596 42.059 0.020 0.000 0.908 421 L HN 0.387 nan 8.230 nan 0.000 0.437 422 T N -0.351 114.201 114.554 -0.003 0.000 2.732 422 T HA -0.135 4.115 4.350 -0.166 0.000 0.261 422 T C 1.844 176.515 174.700 -0.049 0.000 1.040 422 T CA 1.193 63.278 62.100 -0.024 0.000 1.145 422 T CB 0.089 68.945 68.868 -0.020 0.000 0.866 422 T HN 0.250 nan 8.240 nan 0.000 0.427 423 K N 0.988 121.363 120.400 -0.042 0.000 2.044 423 K HA -0.061 4.160 4.320 -0.166 0.000 0.210 423 K C 2.105 178.603 176.600 -0.169 0.000 1.049 423 K CA 1.426 57.658 56.287 -0.092 0.000 0.927 423 K CB -0.451 32.030 32.500 -0.032 0.000 0.713 423 K HN 0.305 nan 8.250 nan 0.000 0.443 424 I N 0.888 121.423 120.570 -0.058 0.000 2.194 424 I HA -0.328 3.742 4.170 -0.166 0.000 0.246 424 I C 2.796 178.859 176.117 -0.089 0.000 1.093 424 I CA 1.279 62.566 61.300 -0.022 0.000 1.355 424 I CB -0.246 37.799 38.000 0.076 0.000 1.046 424 I HN 0.197 nan 8.210 nan 0.000 0.413 425 R N 0.687 121.143 120.500 -0.074 0.000 2.073 425 R HA -0.202 4.039 4.340 -0.166 0.000 0.234 425 R C 2.611 178.847 176.300 -0.106 0.000 1.134 425 R CA 1.319 57.375 56.100 -0.074 0.000 0.952 425 R CB -0.232 30.037 30.300 -0.052 0.000 0.850 425 R HN 0.191 nan 8.270 nan 0.000 0.433 426 R N 0.956 121.376 120.500 -0.134 0.000 2.080 426 R HA -0.145 4.095 4.340 -0.166 0.000 0.236 426 R C 1.675 177.862 176.300 -0.187 0.000 1.137 426 R CA 1.771 57.781 56.100 -0.151 0.000 0.943 426 R CB -0.423 29.782 30.300 -0.158 0.000 0.846 426 R HN 0.232 nan 8.270 nan 0.000 0.431 427 E N 0.640 120.665 120.200 -0.291 0.000 2.160 427 E HA -0.160 4.090 4.350 -0.166 0.000 0.195 427 E C 2.003 178.506 176.600 -0.162 0.000 0.991 427 E CA 0.785 56.977 56.400 -0.347 0.000 0.810 427 E CB -0.177 29.005 29.700 -0.863 0.000 0.742 427 E HN 0.195 nan 8.360 nan 0.000 0.466 428 L N 0.860 122.007 121.223 -0.126 0.000 2.049 428 L HA -0.044 4.196 4.340 -0.166 0.000 0.203 428 L C 2.357 179.184 176.870 -0.072 0.000 1.074 428 L CA 1.513 56.314 54.840 -0.065 0.000 0.749 428 L CB -0.533 41.490 42.059 -0.060 0.000 0.907 428 L HN -0.013 nan 8.230 nan 0.000 0.439 429 K N -0.919 119.429 120.400 -0.087 0.000 2.097 429 K HA -0.090 4.130 4.320 -0.166 0.000 0.205 429 K C -0.331 176.221 176.600 -0.081 0.000 1.050 429 K CA 1.115 57.352 56.287 -0.083 0.000 0.938 429 K CB 0.217 32.665 32.500 -0.087 0.000 0.718 429 K HN 0.216 nan 8.250 nan 0.000 0.442 430 D N 0.689 121.033 120.400 -0.093 0.000 2.404 430 D HA 0.181 4.721 4.640 -0.166 0.000 0.267 430 D C -1.193 175.058 176.300 -0.081 0.000 1.194 430 D CA -0.132 53.815 54.000 -0.088 0.000 0.910 430 D CB 1.351 42.081 40.800 -0.117 0.000 1.090 430 D HN 0.232 nan 8.370 nan 0.000 0.511 431 A N 1.338 124.132 122.820 -0.042 0.000 2.561 431 A HA 0.511 4.731 4.320 -0.166 0.000 0.234 431 A C 0.891 178.442 177.584 -0.055 0.000 1.055 431 A CA 0.452 52.477 52.037 -0.021 0.000 0.756 431 A CB 0.477 19.495 19.000 0.030 0.000 0.986 431 A HN 0.489 nan 8.150 nan 0.000 0.505 432 G N -0.955 107.809 108.800 -0.060 0.000 3.140 432 G HA2 0.580 4.440 3.960 -0.166 0.000 0.271 432 G HA3 0.580 4.440 3.960 -0.166 0.000 0.271 432 G C 0.829 175.665 174.900 -0.106 0.000 1.370 432 G CA 0.119 45.136 45.100 -0.139 0.000 1.014 432 G HN 1.336 nan 8.290 nan 0.000 0.541 433 A N -0.817 121.889 122.820 -0.189 0.000 2.070 433 A HA 0.057 4.278 4.320 -0.166 0.000 0.220 433 A C 1.487 179.238 177.584 0.278 0.000 1.159 433 A CA 1.970 53.914 52.037 -0.156 0.000 0.656 433 A CB -0.180 18.773 19.000 -0.078 0.000 0.800 433 A HN 0.390 nan 8.150 nan 0.000 0.453 434 D N -1.362 119.247 120.400 0.348 0.000 2.328 434 D HA 0.066 4.606 4.640 -0.166 0.000 0.221 434 D C 1.668 178.338 176.300 0.617 0.000 1.072 434 D CA 0.079 54.474 54.000 0.658 0.000 0.850 434 D CB -0.123 41.016 40.800 0.564 0.000 0.922 434 D HN 0.514 nan 8.370 nan 0.000 0.516 435 R N 0.595 121.311 120.500 0.360 0.000 2.117 435 R HA -0.172 4.068 4.340 -0.166 0.000 0.243 435 R C 1.963 178.402 176.300 0.232 0.000 1.143 435 R CA 0.987 57.269 56.100 0.304 0.000 0.968 435 R CB -0.338 30.066 30.300 0.173 0.000 0.863 435 R HN 0.097 nan 8.270 nan 0.000 0.444 436 I N 0.241 120.825 120.570 0.023 0.000 2.248 436 I HA -0.290 3.780 4.170 -0.166 0.000 0.248 436 I C 1.542 177.590 176.117 -0.116 0.000 1.107 436 I CA 1.466 62.660 61.300 -0.177 0.000 1.373 436 I CB -0.180 37.453 38.000 -0.611 0.000 1.055 436 I HN 0.322 nan 8.210 nan 0.000 0.418 437 W N -0.586 120.803 121.300 0.149 0.000 2.409 437 W HA -0.180 4.383 4.660 -0.161 0.000 0.299 437 W C 2.585 179.087 176.519 -0.030 0.000 1.203 437 W CA 0.992 58.373 57.345 0.059 0.000 1.298 437 W CB -1.416 27.964 29.460 -0.133 0.000 1.127 437 W HN 0.200 nan 8.180 nan 0.000 0.528 438 Y N 0.433 120.895 120.300 0.272 0.000 2.333 438 Y HA -0.190 4.258 4.550 -0.171 0.000 0.290 438 Y C 2.423 178.329 175.900 0.010 0.000 1.144 438 Y CA 1.060 59.235 58.100 0.124 0.000 1.228 438 Y CB -0.780 37.732 38.460 0.086 0.000 0.985 438 Y HN -0.167 nan 8.280 nan 0.000 0.542 439 I N -0.616 120.024 120.570 0.117 0.000 2.202 439 I HA -0.328 3.742 4.170 -0.166 0.000 0.242 439 I C 2.611 178.575 176.117 -0.254 0.000 1.091 439 I CA 1.130 62.359 61.300 -0.118 0.000 1.368 439 I CB -0.584 37.398 38.000 -0.029 0.000 1.058 439 I HN 0.192 nan 8.210 nan 0.000 0.410 440 A N 0.394 123.187 122.820 -0.044 0.000 1.902 440 A HA -0.256 3.964 4.320 -0.166 0.000 0.217 440 A C 2.003 179.620 177.584 0.054 0.000 1.181 440 A CA 2.082 54.119 52.037 0.001 0.000 0.623 440 A CB -0.650 18.372 19.000 0.038 0.000 0.818 440 A HN 0.342 nan 8.150 nan 0.000 0.443 441 D N 0.007 120.448 120.400 0.068 0.000 2.149 441 D HA -0.106 4.435 4.640 -0.166 0.000 0.198 441 D C 2.241 178.572 176.300 0.050 0.000 0.990 441 D CA 1.496 55.544 54.000 0.080 0.000 0.839 441 D CB -0.385 40.472 40.800 0.095 0.000 0.948 441 D HN 0.422 nan 8.370 nan 0.000 0.460 442 A N 0.320 123.111 122.820 -0.049 0.000 1.908 442 A HA -0.194 4.027 4.320 -0.166 0.000 0.218 442 A C 1.994 179.551 177.584 -0.045 0.000 1.181 442 A CA 1.133 53.099 52.037 -0.118 0.000 0.627 442 A CB -0.869 17.943 19.000 -0.314 0.000 0.818 442 A HN 0.137 nan 8.150 nan 0.000 0.445 443 F N -0.170 119.806 119.950 0.044 0.000 2.186 443 F HA -0.027 4.401 4.527 -0.165 0.000 0.299 443 F C 2.482 178.299 175.800 0.028 0.000 1.090 443 F CA 1.051 59.065 58.000 0.024 0.000 1.307 443 F CB -0.682 38.315 39.000 -0.006 0.000 1.019 443 F HN 0.136 nan 8.300 nan 0.000 0.489 444 R N 0.098 120.724 120.500 0.210 0.000 2.083 444 R HA -0.104 4.136 4.340 -0.166 0.000 0.237 444 R C 2.241 178.608 176.300 0.111 0.000 1.137 444 R CA 1.375 57.559 56.100 0.140 0.000 0.951 444 R CB -0.819 29.549 30.300 0.113 0.000 0.851 444 R HN 0.230 nan 8.270 nan 0.000 0.434 445 A N -0.127 122.753 122.820 0.100 0.000 2.209 445 A HA 0.140 4.361 4.320 -0.166 0.000 0.212 445 A C 1.364 178.996 177.584 0.080 0.000 1.158 445 A CA 1.015 53.099 52.037 0.079 0.000 0.742 445 A CB -0.139 18.901 19.000 0.066 0.000 0.790 445 A HN 0.527 nan 8.150 nan 0.000 0.472 446 G N -1.750 107.115 108.800 0.109 0.000 2.148 446 G HA2 -0.162 3.698 3.960 -0.166 0.000 0.203 446 G HA3 -0.162 3.698 3.960 -0.166 0.000 0.203 446 G C 0.006 174.976 174.900 0.117 0.000 0.993 446 G CA 0.028 45.191 45.100 0.104 0.000 0.661 446 G HN 0.376 nan 8.290 nan 0.000 0.518 447 L N 1.794 123.100 121.223 0.139 0.000 2.436 447 L HA 0.571 4.812 4.340 -0.166 0.000 0.265 447 L C 1.412 178.426 176.870 0.240 0.000 1.168 447 L CA 0.022 54.942 54.840 0.134 0.000 0.815 447 L CB 1.283 43.375 42.059 0.056 0.000 1.109 447 L HN 0.436 nan 8.230 nan 0.000 0.462 448 S N 0.777 116.591 115.700 0.190 0.000 2.672 448 S HA 0.252 4.622 4.470 -0.166 0.000 0.276 448 S C 1.017 175.809 174.600 0.319 0.000 1.207 448 S CA -0.957 57.372 58.200 0.216 0.000 1.002 448 S CB 1.702 64.977 63.200 0.125 0.000 0.998 448 S HN 0.323 nan 8.310 nan 0.000 0.542 449 V N 1.349 121.450 119.914 0.311 0.000 2.324 449 V HA -0.192 3.828 4.120 -0.166 0.000 0.250 449 V C 2.002 178.256 176.094 0.267 0.000 1.060 449 V CA 2.381 64.888 62.300 0.344 0.000 1.042 449 V CB -0.917 30.986 31.823 0.133 0.000 0.650 449 V HN 0.859 nan 8.190 nan 0.000 0.450 450 D N 0.252 120.759 120.400 0.179 0.000 2.178 450 D HA -0.076 4.465 4.640 -0.166 0.000 0.202 450 D C 2.178 178.604 176.300 0.210 0.000 0.974 450 D CA 1.437 55.543 54.000 0.176 0.000 0.841 450 D CB -0.534 40.326 40.800 0.101 0.000 0.953 450 D HN 0.488 nan 8.370 nan 0.000 0.478 451 G N 0.684 109.584 108.800 0.166 0.000 2.402 451 G HA2 -0.178 3.682 3.960 -0.166 0.000 0.216 451 G HA3 -0.178 3.682 3.960 -0.166 0.000 0.216 451 G C 1.822 176.784 174.900 0.104 0.000 1.162 451 G CA 0.525 45.699 45.100 0.122 0.000 0.777 451 G HN 0.233 nan 8.290 nan 0.000 0.539 452 V N 0.304 120.291 119.914 0.122 0.000 2.427 452 V HA -0.084 3.936 4.120 -0.166 0.000 0.248 452 V C 2.281 178.424 176.094 0.081 0.000 1.051 452 V CA 1.608 63.935 62.300 0.045 0.000 1.048 452 V CB -0.566 31.236 31.823 -0.036 0.000 0.666 452 V HN 0.401 nan 8.190 nan 0.000 0.456 453 F N 1.772 121.753 119.950 0.052 0.000 2.134 453 F HA -0.164 4.264 4.527 -0.165 0.000 0.299 453 F C 2.350 178.169 175.800 0.031 0.000 1.097 453 F CA 1.786 59.812 58.000 0.044 0.000 1.264 453 F CB -0.280 38.755 39.000 0.059 0.000 1.001 453 F HN 0.176 nan 8.300 nan 0.000 0.479 454 N N 0.910 119.671 118.700 0.103 0.000 2.104 454 N HA -0.179 4.462 4.740 -0.166 0.000 0.190 454 N C 1.950 177.383 175.510 -0.128 0.000 1.024 454 N CA 1.805 54.847 53.050 -0.014 0.000 0.853 454 N CB -0.580 37.959 38.487 0.087 0.000 1.008 454 N HN 0.376 nan 8.380 nan 0.000 0.424 455 L N 0.244 121.411 121.223 -0.092 0.000 2.179 455 L HA -0.043 4.198 4.340 -0.166 0.000 0.208 455 L C 2.212 179.000 176.870 -0.136 0.000 1.096 455 L CA 1.308 56.090 54.840 -0.096 0.000 0.779 455 L CB -0.385 41.634 42.059 -0.066 0.000 0.922 455 L HN 0.295 nan 8.230 nan 0.000 0.443 456 T N -5.706 108.738 114.554 -0.183 0.000 2.990 456 T HA 0.128 4.379 4.350 -0.166 0.000 0.249 456 T C 0.841 175.386 174.700 -0.260 0.000 1.039 456 T CA 0.393 62.389 62.100 -0.174 0.000 1.036 456 T CB -0.067 68.727 68.868 -0.123 0.000 0.994 456 T HN 0.294 nan 8.240 nan 0.000 0.489 457 N N 0.470 118.851 118.700 -0.531 0.000 2.778 457 N HA -0.124 4.517 4.740 -0.166 0.000 0.249 457 N C -0.717 174.612 175.510 -0.301 0.000 1.069 457 N CA 0.583 53.228 53.050 -0.674 0.000 0.831 457 N CB -1.818 36.474 38.487 -0.325 0.000 1.142 457 N HN 0.562 nan 8.380 nan 0.000 0.573 458 I N 1.168 121.614 120.570 -0.206 0.000 2.556 458 I HA -0.014 4.056 4.170 -0.166 0.000 0.284 458 I C 0.963 177.236 176.117 0.261 0.000 1.114 458 I CA 0.012 61.237 61.300 -0.125 0.000 1.418 458 I CB 0.320 38.092 38.000 -0.381 0.000 1.394 458 I HN 0.154 nan 8.210 nan 0.000 0.552 459 D N 6.177 126.785 120.400 0.346 0.000 2.525 459 D HA -0.070 4.470 4.640 -0.166 0.000 0.235 459 D C 1.200 177.716 176.300 0.361 0.000 1.137 459 D CA 0.372 54.616 54.000 0.406 0.000 0.868 459 D CB 0.794 41.770 40.800 0.293 0.000 1.180 459 D HN 0.479 nan 8.370 nan 0.000 0.465 460 R N 2.786 123.410 120.500 0.206 0.000 2.159 460 R HA -0.196 4.045 4.340 -0.166 0.000 0.237 460 R C 1.956 178.348 176.300 0.154 0.000 1.131 460 R CA 1.189 57.377 56.100 0.146 0.000 0.982 460 R CB -0.166 30.119 30.300 -0.023 0.000 0.868 460 R HN 0.656 nan 8.270 nan 0.000 0.453 461 W N 0.735 121.980 121.300 -0.091 0.000 2.331 461 W HA -0.218 4.342 4.660 -0.167 0.000 0.291 461 W C 1.159 177.606 176.519 -0.121 0.000 1.214 461 W CA 1.427 58.665 57.345 -0.178 0.000 1.228 461 W CB -0.145 29.096 29.460 -0.365 0.000 1.135 461 W HN -0.040 nan 8.180 nan 0.000 0.537 462 F N -0.197 119.954 119.950 0.334 0.000 2.147 462 F HA -0.045 4.383 4.527 -0.164 0.000 0.291 462 F C 2.277 178.166 175.800 0.148 0.000 1.093 462 F CA 1.387 59.539 58.000 0.253 0.000 1.263 462 F CB -1.333 37.883 39.000 0.360 0.000 1.036 462 F HN -0.273 nan 8.300 nan 0.000 0.481 463 L N 0.247 121.695 121.223 0.375 0.000 2.079 463 L HA -0.207 4.033 4.340 -0.166 0.000 0.210 463 L C 2.560 179.518 176.870 0.146 0.000 1.081 463 L CA 1.356 56.407 54.840 0.353 0.000 0.752 463 L CB -1.155 41.146 42.059 0.402 0.000 0.896 463 L HN 0.182 nan 8.230 nan 0.000 0.433 464 V N -2.364 117.555 119.914 0.009 0.000 2.392 464 V HA -0.294 3.727 4.120 -0.166 0.000 0.249 464 V C 2.214 178.192 176.094 -0.193 0.000 1.059 464 V CA 1.645 63.856 62.300 -0.148 0.000 1.051 464 V CB -0.879 30.852 31.823 -0.153 0.000 0.658 464 V HN 0.535 nan 8.190 nan 0.000 0.455 465 Q N 0.120 119.822 119.800 -0.163 0.000 2.170 465 Q HA -0.058 4.182 4.340 -0.166 0.000 0.203 465 Q C 2.299 178.239 176.000 -0.100 0.000 0.976 465 Q CA 2.084 57.793 55.803 -0.157 0.000 0.858 465 Q CB -0.337 28.275 28.738 -0.209 0.000 0.907 465 Q HN 0.675 nan 8.270 nan 0.000 0.433 466 I N 0.875 121.420 120.570 -0.040 0.000 2.202 466 I HA -0.245 3.826 4.170 -0.166 0.000 0.242 466 I C 2.522 178.531 176.117 -0.179 0.000 1.091 466 I CA 1.072 62.300 61.300 -0.120 0.000 1.368 466 I CB -0.229 37.767 38.000 -0.006 0.000 1.058 466 I HN 0.227 nan 8.210 nan 0.000 0.410 467 E N 1.002 120.975 120.200 -0.377 0.000 2.049 467 E HA -0.351 3.900 4.350 -0.166 0.000 0.198 467 E C 2.139 178.551 176.600 -0.312 0.000 1.007 467 E CA 1.995 57.958 56.400 -0.727 0.000 0.809 467 E CB -0.123 28.843 29.700 -1.223 0.000 0.749 467 E HN 0.472 nan 8.360 nan 0.000 0.450 468 E N 0.264 120.332 120.200 -0.221 0.000 2.130 468 E HA -0.230 4.020 4.350 -0.166 0.000 0.196 468 E C 2.326 178.924 176.600 -0.005 0.000 0.998 468 E CA 1.168 57.507 56.400 -0.102 0.000 0.806 468 E CB -0.142 29.510 29.700 -0.080 0.000 0.738 468 E HN 0.327 nan 8.360 nan 0.000 0.459 469 L N 0.162 121.386 121.223 0.002 0.000 2.042 469 L HA -0.209 4.031 4.340 -0.166 0.000 0.210 469 L C 2.590 179.586 176.870 0.210 0.000 1.076 469 L CA 0.944 55.880 54.840 0.158 0.000 0.749 469 L CB -0.439 41.632 42.059 0.019 0.000 0.893 469 L HN 0.126 nan 8.230 nan 0.000 0.432 470 V N -0.278 119.671 119.914 0.057 0.000 2.343 470 V HA -0.254 3.766 4.120 -0.166 0.000 0.247 470 V C 2.742 178.879 176.094 0.071 0.000 1.051 470 V CA 1.559 63.906 62.300 0.079 0.000 1.036 470 V CB -0.608 31.257 31.823 0.071 0.000 0.654 470 V HN 0.426 nan 8.190 nan 0.000 0.451 471 R N -0.123 120.395 120.500 0.030 0.000 2.070 471 R HA -0.087 4.153 4.340 -0.166 0.000 0.232 471 R C 2.293 178.621 176.300 0.046 0.000 1.138 471 R CA 1.465 57.577 56.100 0.020 0.000 0.936 471 R CB -1.123 29.169 30.300 -0.014 0.000 0.839 471 R HN 0.404 nan 8.270 nan 0.000 0.429 472 L N 1.234 122.501 121.223 0.073 0.000 2.051 472 L HA -0.229 4.011 4.340 -0.166 0.000 0.214 472 L C 2.568 179.433 176.870 -0.009 0.000 1.076 472 L CA 1.554 56.437 54.840 0.072 0.000 0.758 472 L CB -0.509 41.602 42.059 0.087 0.000 0.890 472 L HN 0.303 nan 8.230 nan 0.000 0.433 473 E N 0.032 120.235 120.200 0.004 0.000 2.049 473 E HA -0.279 3.972 4.350 -0.166 0.000 0.198 473 E C 2.043 178.648 176.600 0.009 0.000 1.007 473 E CA 1.822 58.208 56.400 -0.024 0.000 0.809 473 E CB -0.158 29.612 29.700 0.117 0.000 0.749 473 E HN 0.598 nan 8.360 nan 0.000 0.450 474 E N 0.805 121.029 120.200 0.040 0.000 2.118 474 E HA -0.244 4.006 4.350 -0.166 0.000 0.195 474 E C 2.078 178.698 176.600 0.032 0.000 0.992 474 E CA 1.249 57.671 56.400 0.036 0.000 0.804 474 E CB -0.177 29.544 29.700 0.036 0.000 0.741 474 E HN 0.167 nan 8.360 nan 0.000 0.458 475 K N 1.431 121.858 120.400 0.045 0.000 2.057 475 K HA -0.133 4.087 4.320 -0.166 0.000 0.206 475 K C 2.077 178.734 176.600 0.094 0.000 1.050 475 K CA 1.240 57.555 56.287 0.048 0.000 0.935 475 K CB -0.046 32.480 32.500 0.044 0.000 0.715 475 K HN -0.023 nan 8.250 nan 0.000 0.439 476 V N 1.881 121.865 119.914 0.116 0.000 2.255 476 V HA -0.295 3.726 4.120 -0.166 0.000 0.247 476 V C 2.644 178.766 176.094 0.047 0.000 1.051 476 V CA 2.098 64.451 62.300 0.089 0.000 1.018 476 V CB -1.057 30.731 31.823 -0.058 0.000 0.641 476 V HN 0.571 nan 8.190 nan 0.000 0.445 477 A N -0.703 122.133 122.820 0.026 0.000 1.917 477 A HA -0.326 3.895 4.320 -0.166 0.000 0.219 477 A C 2.307 179.906 177.584 0.025 0.000 1.182 477 A CA 2.345 54.396 52.037 0.023 0.000 0.633 477 A CB -0.545 18.470 19.000 0.026 0.000 0.819 477 A HN 0.655 nan 8.150 nan 0.000 0.448 478 E N -0.398 119.817 120.200 0.026 0.000 2.028 478 E HA -0.126 4.125 4.350 -0.166 0.000 0.190 478 E C 2.050 178.659 176.600 0.016 0.000 0.984 478 E CA 1.696 58.105 56.400 0.015 0.000 0.800 478 E CB -0.130 29.572 29.700 0.004 0.000 0.758 478 E HN 0.568 nan 8.360 nan 0.000 0.448 479 V N -1.700 118.231 119.914 0.029 0.000 2.871 479 V HA 0.212 4.232 4.120 -0.166 0.000 0.256 479 V C 1.041 177.160 176.094 0.042 0.000 1.082 479 V CA 0.931 63.250 62.300 0.031 0.000 1.105 479 V CB -0.803 31.040 31.823 0.033 0.000 0.713 479 V HN 0.407 nan 8.190 nan 0.000 0.473 480 G N 0.105 108.932 108.800 0.045 0.000 2.804 480 G HA2 -0.315 3.545 3.960 -0.166 0.000 0.230 480 G HA3 -0.315 3.545 3.960 -0.166 0.000 0.230 480 G C 0.446 175.371 174.900 0.042 0.000 1.386 480 G CA 0.115 45.235 45.100 0.034 0.000 0.875 480 G HN 0.849 nan 8.290 nan 0.000 0.557 481 I N -0.064 120.522 120.570 0.026 0.000 2.381 481 I HA -0.212 3.859 4.170 -0.166 0.000 0.255 481 I C 2.565 178.710 176.117 0.046 0.000 1.140 481 I CA 2.721 64.036 61.300 0.026 0.000 1.404 481 I CB -0.163 37.841 38.000 0.007 0.000 1.075 481 I HN 0.661 nan 8.210 nan 0.000 0.433 482 T N 0.163 114.744 114.554 0.045 0.000 2.951 482 T HA -0.042 4.209 4.350 -0.166 0.000 0.268 482 T C 1.504 176.247 174.700 0.072 0.000 1.073 482 T CA 1.181 63.312 62.100 0.052 0.000 1.134 482 T CB -0.382 68.506 68.868 0.034 0.000 0.884 482 T HN 0.620 nan 8.240 nan 0.000 0.479 483 G N 0.822 109.673 108.800 0.084 0.000 2.920 483 G HA2 0.115 3.975 3.960 -0.166 0.000 0.208 483 G HA3 0.115 3.975 3.960 -0.166 0.000 0.208 483 G C 0.747 175.784 174.900 0.228 0.000 1.159 483 G CA -0.145 45.020 45.100 0.107 0.000 0.784 483 G HN 0.453 nan 8.290 nan 0.000 0.535 484 L N 2.404 123.747 121.223 0.200 0.000 2.821 484 L HA 0.144 4.385 4.340 -0.166 0.000 0.239 484 L C 0.481 177.505 176.870 0.256 0.000 1.391 484 L CA -0.651 54.319 54.840 0.216 0.000 1.231 484 L CB -1.293 40.829 42.059 0.104 0.000 1.598 484 L HN 0.297 nan 8.230 nan 0.000 0.428 485 N N -0.398 118.431 118.700 0.214 0.000 2.371 485 N HA 0.133 4.774 4.740 -0.166 0.000 0.243 485 N C 1.274 176.728 175.510 -0.094 0.000 1.287 485 N CA 0.316 53.422 53.050 0.093 0.000 0.911 485 N CB 0.857 39.363 38.487 0.032 0.000 1.142 485 N HN 0.138 nan 8.380 nan 0.000 0.451 486 A N 0.344 122.826 122.820 -0.562 0.000 1.948 486 A HA -0.245 3.975 4.320 -0.166 0.000 0.220 486 A C 1.459 178.876 177.584 -0.279 0.000 1.177 486 A CA 1.847 53.387 52.037 -0.827 0.000 0.636 486 A CB -0.749 17.645 19.000 -1.011 0.000 0.815 486 A HN 0.811 nan 8.150 nan 0.000 0.449 487 D N -1.640 118.682 120.400 -0.131 0.000 2.183 487 D HA -0.052 4.488 4.640 -0.166 0.000 0.203 487 D C 1.511 177.866 176.300 0.092 0.000 0.969 487 D CA 0.839 54.825 54.000 -0.024 0.000 0.842 487 D CB -0.309 40.483 40.800 -0.014 0.000 0.957 487 D HN 0.458 nan 8.370 nan 0.000 0.484 488 F N 1.096 120.993 119.950 -0.089 0.000 2.219 488 F HA 0.017 4.445 4.527 -0.166 0.000 0.294 488 F C 1.929 177.691 175.800 -0.063 0.000 1.086 488 F CA 0.217 58.177 58.000 -0.067 0.000 1.330 488 F CB -0.479 38.485 39.000 -0.060 0.000 1.047 488 F HN -0.162 nan 8.300 nan 0.000 0.495 489 L N 1.180 122.335 121.223 -0.114 0.000 2.012 489 L HA -0.179 4.061 4.340 -0.166 0.000 0.210 489 L C 2.659 179.412 176.870 -0.194 0.000 1.073 489 L CA 2.077 56.796 54.840 -0.200 0.000 0.748 489 L CB -1.038 41.041 42.059 0.033 0.000 0.891 489 L HN 0.209 nan 8.230 nan 0.000 0.431 490 R N -0.895 119.542 120.500 -0.104 0.000 2.105 490 R HA -0.241 4.000 4.340 -0.166 0.000 0.239 490 R C 2.373 178.620 176.300 -0.090 0.000 1.135 490 R CA 1.954 58.004 56.100 -0.084 0.000 0.967 490 R CB -0.384 29.908 30.300 -0.014 0.000 0.861 490 R HN 0.644 nan 8.270 nan 0.000 0.442 491 Q N 0.338 120.107 119.800 -0.051 0.000 2.079 491 Q HA -0.156 4.085 4.340 -0.166 0.000 0.200 491 Q C 2.059 178.033 176.000 -0.043 0.000 0.974 491 Q CA 1.593 57.395 55.803 -0.002 0.000 0.840 491 Q CB -0.037 28.766 28.738 0.108 0.000 0.898 491 Q HN 0.485 nan 8.270 nan 0.000 0.430 492 L N 0.473 121.585 121.223 -0.185 0.000 2.056 492 L HA -0.164 4.076 4.340 -0.166 0.000 0.207 492 L C 2.497 179.372 176.870 0.007 0.000 1.078 492 L CA 0.851 55.618 54.840 -0.123 0.000 0.749 492 L CB -0.371 41.404 42.059 -0.474 0.000 0.901 492 L HN 0.041 nan 8.230 nan 0.000 0.433 493 K N 0.510 120.765 120.400 -0.241 0.000 2.147 493 K HA -0.106 4.114 4.320 -0.166 0.000 0.205 493 K C 2.146 178.513 176.600 -0.388 0.000 1.049 493 K CA 1.238 57.220 56.287 -0.508 0.000 0.936 493 K CB -0.282 31.512 32.500 -1.178 0.000 0.722 493 K HN 0.273 nan 8.250 nan 0.000 0.446 494 R N 0.475 120.870 120.500 -0.174 0.000 2.276 494 R HA 0.035 4.275 4.340 -0.166 0.000 0.203 494 R C 1.278 177.605 176.300 0.044 0.000 1.017 494 R CA 0.557 56.661 56.100 0.008 0.000 1.010 494 R CB 0.178 30.518 30.300 0.066 0.000 0.900 494 R HN -0.076 nan 8.270 nan 0.000 0.469 495 K N -0.424 120.010 120.400 0.057 0.000 2.417 495 K HA 0.165 4.385 4.320 -0.166 0.000 0.196 495 K C 0.743 177.277 176.600 -0.110 0.000 1.023 495 K CA 0.615 56.928 56.287 0.043 0.000 1.122 495 K CB 1.020 33.633 32.500 0.189 0.000 0.850 495 K HN 0.342 nan 8.250 nan 0.000 0.521 496 G N 1.404 110.163 108.800 -0.068 0.000 2.141 496 G HA2 -0.259 3.601 3.960 -0.166 0.000 0.242 496 G HA3 -0.259 3.601 3.960 -0.166 0.000 0.242 496 G C -0.102 174.696 174.900 -0.169 0.000 0.982 496 G CA -0.429 44.610 45.100 -0.102 0.000 0.662 496 G HN 0.210 nan 8.290 nan 0.000 0.527 497 F N 1.612 121.533 119.950 -0.049 0.000 2.495 497 F HA 0.537 4.964 4.527 -0.166 0.000 0.365 497 F C 1.086 176.852 175.800 -0.056 0.000 1.090 497 F CA 0.400 58.371 58.000 -0.048 0.000 1.235 497 F CB 0.981 39.928 39.000 -0.087 0.000 1.119 497 F HN 0.344 nan 8.300 nan 0.000 0.562 498 A N 3.082 126.000 122.820 0.163 0.000 2.327 498 A HA 0.242 4.463 4.320 -0.166 0.000 0.283 498 A C 1.072 178.709 177.584 0.087 0.000 1.127 498 A CA -0.716 51.380 52.037 0.099 0.000 0.810 498 A CB 0.318 19.366 19.000 0.081 0.000 1.066 498 A HN 0.780 nan 8.150 nan 0.000 0.492 499 D N 1.901 122.332 120.400 0.052 0.000 2.149 499 D HA -0.214 4.327 4.640 -0.166 0.000 0.194 499 D C 2.155 178.472 176.300 0.028 0.000 1.001 499 D CA 2.200 56.216 54.000 0.026 0.000 0.849 499 D CB -0.279 40.536 40.800 0.024 0.000 0.939 499 D HN 0.666 nan 8.370 nan 0.000 0.449 500 A N 0.504 123.347 122.820 0.039 0.000 1.902 500 A HA -0.193 4.027 4.320 -0.166 0.000 0.217 500 A C 2.204 179.817 177.584 0.049 0.000 1.181 500 A CA 1.923 53.981 52.037 0.035 0.000 0.623 500 A CB -0.408 18.611 19.000 0.032 0.000 0.818 500 A HN 0.101 nan 8.150 nan 0.000 0.443 501 R N 0.063 120.613 120.500 0.082 0.000 2.066 501 R HA 0.023 4.264 4.340 -0.166 0.000 0.232 501 R C 1.936 178.288 176.300 0.087 0.000 1.131 501 R CA 1.596 57.768 56.100 0.120 0.000 0.955 501 R CB -0.784 29.646 30.300 0.216 0.000 0.851 501 R HN 0.500 nan 8.270 nan 0.000 0.432 502 L N 0.036 121.292 121.223 0.056 0.000 2.079 502 L HA -0.139 4.101 4.340 -0.166 0.000 0.210 502 L C 2.524 179.384 176.870 -0.018 0.000 1.081 502 L CA 1.379 56.199 54.840 -0.033 0.000 0.752 502 L CB -0.786 41.221 42.059 -0.087 0.000 0.896 502 L HN 0.338 nan 8.230 nan 0.000 0.433 503 A N 0.380 123.200 122.820 -0.000 0.000 1.883 503 A HA -0.243 3.978 4.320 -0.166 0.000 0.217 503 A C 2.355 179.943 177.584 0.007 0.000 1.186 503 A CA 1.888 53.925 52.037 -0.000 0.000 0.624 503 A CB -0.387 18.615 19.000 0.002 0.000 0.822 503 A HN 0.344 nan 8.150 nan 0.000 0.444 504 K N -0.550 119.861 120.400 0.019 0.000 2.097 504 K HA 0.004 4.224 4.320 -0.166 0.000 0.205 504 K C 1.812 178.424 176.600 0.020 0.000 1.050 504 K CA 1.219 57.519 56.287 0.021 0.000 0.938 504 K CB -0.334 32.185 32.500 0.033 0.000 0.718 504 K HN 0.477 nan 8.250 nan 0.000 0.442 505 L N 0.083 121.317 121.223 0.020 0.000 2.141 505 L HA -0.123 4.117 4.340 -0.166 0.000 0.209 505 L C 2.232 179.106 176.870 0.007 0.000 1.094 505 L CA 0.977 55.825 54.840 0.014 0.000 0.763 505 L CB -0.263 41.794 42.059 -0.004 0.000 0.908 505 L HN 0.166 nan 8.230 nan 0.000 0.437 506 A N -0.757 122.063 122.820 -0.001 0.000 2.308 506 A HA 0.347 4.568 4.320 -0.166 0.000 0.217 506 A C 1.579 179.166 177.584 0.004 0.000 1.216 506 A CA 0.551 52.588 52.037 0.001 0.000 0.864 506 A CB -0.167 18.828 19.000 -0.008 0.000 0.902 506 A HN 0.440 nan 8.150 nan 0.000 0.499 507 G N -0.372 108.431 108.800 0.005 0.000 2.246 507 G HA2 -0.066 3.795 3.960 -0.166 0.000 0.273 507 G HA3 -0.066 3.795 3.960 -0.166 0.000 0.273 507 G C 0.249 175.150 174.900 0.002 0.000 1.055 507 G CA 0.815 45.918 45.100 0.005 0.000 0.851 507 G HN 1.757 nan 8.290 nan 0.000 0.500 508 V N -4.471 115.443 119.914 -0.001 0.000 3.164 508 V HA 0.903 4.923 4.120 -0.166 0.000 0.313 508 V C 0.515 176.606 176.094 -0.004 0.000 1.188 508 V CA -1.962 60.336 62.300 -0.004 0.000 1.058 508 V CB 1.423 33.241 31.823 -0.009 0.000 1.110 508 V HN 0.317 nan 8.190 nan 0.000 0.453 509 R N 0.239 120.735 120.500 -0.007 0.000 2.490 509 R HA 0.301 4.541 4.340 -0.166 0.000 0.278 509 R C 1.386 177.682 176.300 -0.007 0.000 1.069 509 R CA 0.187 56.283 56.100 -0.006 0.000 1.080 509 R CB 0.853 31.149 30.300 -0.006 0.000 1.030 509 R HN 0.982 nan 8.270 nan 0.000 0.491 510 E N 2.366 122.565 120.200 -0.002 0.000 2.171 510 E HA -0.291 3.960 4.350 -0.166 0.000 0.197 510 E C 1.348 177.945 176.600 -0.005 0.000 0.997 510 E CA 1.717 58.117 56.400 -0.000 0.000 0.810 510 E CB 0.073 29.776 29.700 0.006 0.000 0.738 510 E HN 0.737 nan 8.360 nan 0.000 0.467 511 A N 1.017 123.834 122.820 -0.006 0.000 1.933 511 A HA -0.227 3.994 4.320 -0.166 0.000 0.218 511 A C 1.890 179.462 177.584 -0.019 0.000 1.175 511 A CA 1.608 53.640 52.037 -0.008 0.000 0.628 511 A CB -0.469 18.527 19.000 -0.006 0.000 0.814 511 A HN 0.351 nan 8.150 nan 0.000 0.444 512 E N -0.138 120.049 120.200 -0.023 0.000 2.070 512 E HA -0.200 4.050 4.350 -0.166 0.000 0.197 512 E C 1.907 178.474 176.600 -0.054 0.000 1.004 512 E CA 1.403 57.782 56.400 -0.036 0.000 0.805 512 E CB -0.303 29.379 29.700 -0.029 0.000 0.744 512 E HN 0.595 nan 8.360 nan 0.000 0.451 513 I N 0.783 121.327 120.570 -0.045 0.000 2.208 513 I HA -0.264 3.807 4.170 -0.166 0.000 0.245 513 I C 2.538 178.617 176.117 -0.064 0.000 1.097 513 I CA 1.355 62.622 61.300 -0.056 0.000 1.363 513 I CB -0.978 36.999 38.000 -0.037 0.000 1.051 513 I HN 0.118 nan 8.210 nan 0.000 0.413 514 R N 1.297 121.774 120.500 -0.037 0.000 2.083 514 R HA -0.192 4.049 4.340 -0.166 0.000 0.237 514 R C 2.368 178.641 176.300 -0.046 0.000 1.137 514 R CA 1.649 57.736 56.100 -0.023 0.000 0.951 514 R CB -0.037 30.266 30.300 0.005 0.000 0.851 514 R HN 0.261 nan 8.270 nan 0.000 0.434 515 K N 0.044 120.411 120.400 -0.055 0.000 2.057 515 K HA -0.171 4.050 4.320 -0.166 0.000 0.207 515 K C 1.999 178.507 176.600 -0.152 0.000 1.049 515 K CA 1.246 57.490 56.287 -0.072 0.000 0.931 515 K CB -0.255 32.206 32.500 -0.064 0.000 0.714 515 K HN 0.062 nan 8.250 nan 0.000 0.440 516 L N 1.751 122.853 121.223 -0.201 0.000 2.013 516 L HA -0.233 4.007 4.340 -0.166 0.000 0.212 516 L C 1.963 178.526 176.870 -0.512 0.000 1.073 516 L CA 1.781 56.384 54.840 -0.395 0.000 0.753 516 L CB -0.350 41.530 42.059 -0.297 0.000 0.890 516 L HN 0.102 nan 8.230 nan 0.000 0.432 517 R N -0.873 119.477 120.500 -0.250 0.000 2.115 517 R HA -0.116 4.125 4.340 -0.166 0.000 0.226 517 R C 1.846 178.040 176.300 -0.177 0.000 1.100 517 R CA 1.275 57.273 56.100 -0.170 0.000 0.980 517 R CB -0.452 29.759 30.300 -0.149 0.000 0.875 517 R HN 0.425 nan 8.270 nan 0.000 0.445 518 D N 0.795 121.124 120.400 -0.117 0.000 2.104 518 D HA -0.193 4.348 4.640 -0.166 0.000 0.194 518 D C 1.930 178.261 176.300 0.051 0.000 0.994 518 D CA 1.137 55.161 54.000 0.040 0.000 0.830 518 D CB -0.022 40.822 40.800 0.074 0.000 0.959 518 D HN 0.154 nan 8.370 nan 0.000 0.452 519 Q N -0.866 118.896 119.800 -0.063 0.000 2.152 519 Q HA -0.193 4.047 4.340 -0.166 0.000 0.206 519 Q C 0.980 177.035 176.000 0.092 0.000 0.985 519 Q CA 1.150 56.915 55.803 -0.063 0.000 0.863 519 Q CB 0.022 28.599 28.738 -0.268 0.000 0.904 519 Q HN 0.450 nan 8.270 nan 0.000 0.422 520 Y N -0.075 120.232 120.300 0.010 0.000 2.461 520 Y HA 0.053 4.503 4.550 -0.166 0.000 0.277 520 Y C 0.252 176.168 175.900 0.027 0.000 1.182 520 Y CA 0.007 58.114 58.100 0.012 0.000 1.276 520 Y CB -0.056 38.398 38.460 -0.010 0.000 1.087 520 Y HN 0.149 nan 8.280 nan 0.000 0.519 521 D N 0.070 120.592 120.400 0.204 0.000 2.751 521 D HA -0.209 4.332 4.640 -0.166 0.000 0.233 521 D C -0.646 175.764 176.300 0.183 0.000 1.149 521 D CA 0.273 54.412 54.000 0.231 0.000 0.682 521 D CB -1.119 39.798 40.800 0.195 0.000 1.068 521 D HN 0.134 nan 8.370 nan 0.000 0.429 522 L N 2.671 123.886 121.223 -0.013 0.000 2.315 522 L HA 0.366 4.606 4.340 -0.166 0.000 0.278 522 L C -0.460 176.240 176.870 -0.283 0.000 1.088 522 L CA -0.160 54.671 54.840 -0.016 0.000 0.899 522 L CB 0.253 42.371 42.059 0.098 0.000 1.277 522 L HN 0.129 nan 8.230 nan 0.000 0.431 523 H N 3.780 122.934 119.070 0.140 0.000 2.834 523 H HA 0.607 5.063 4.556 -0.166 0.000 0.369 523 H C -2.513 172.556 175.328 -0.431 0.000 1.174 523 H CA -1.773 54.263 56.048 -0.020 0.000 1.165 523 H CB 1.778 31.526 29.762 -0.023 0.000 1.820 523 H HN 0.293 nan 8.280 nan 0.000 0.558 524 P HA 0.135 nan 4.420 nan 0.000 0.278 524 P C -0.296 176.636 177.300 -0.614 0.000 1.266 524 P CA -0.470 61.963 63.100 -1.111 0.000 0.807 524 P CB 1.184 32.285 31.700 -0.999 0.000 1.094 525 V N -2.279 117.277 119.914 -0.598 0.000 3.103 525 V HA 0.588 4.608 4.120 -0.166 0.000 0.318 525 V C -1.107 174.617 176.094 -0.618 0.000 1.114 525 V CA -0.969 61.096 62.300 -0.391 0.000 1.020 525 V CB 1.262 32.971 31.823 -0.191 0.000 1.085 525 V HN 0.330 nan 8.190 nan 0.000 0.446 526 Y N 0.901 121.135 120.300 -0.110 0.000 2.341 526 Y HA 0.672 5.122 4.550 -0.167 0.000 0.338 526 Y C 0.371 176.120 175.900 -0.251 0.000 0.965 526 Y CA -0.775 57.233 58.100 -0.154 0.000 1.108 526 Y CB 1.855 40.316 38.460 0.001 0.000 1.180 526 Y HN 0.513 nan 8.280 nan 0.000 0.458 527 K N 3.248 123.391 120.400 -0.429 0.000 2.139 527 K HA 0.588 4.808 4.320 -0.166 0.000 0.243 527 K C -0.302 176.066 176.600 -0.386 0.000 0.983 527 K CA -0.896 55.121 56.287 -0.451 0.000 0.890 527 K CB 1.689 33.858 32.500 -0.552 0.000 1.090 527 K HN 0.700 nan 8.250 nan 0.000 0.445 528 R N 0.200 120.629 120.500 -0.120 0.000 2.787 528 R HA 0.460 4.700 4.340 -0.166 0.000 0.271 528 R C -0.337 176.013 176.300 0.083 0.000 0.993 528 R CA -1.011 55.077 56.100 -0.020 0.000 0.993 528 R CB 1.432 31.733 30.300 0.002 0.000 1.155 528 R HN 0.215 nan 8.270 nan 0.000 0.486 529 V N 1.793 121.672 119.914 -0.059 0.000 2.686 529 V HA 0.082 4.102 4.120 -0.166 0.000 0.295 529 V C 0.261 176.370 176.094 0.024 0.000 1.057 529 V CA 0.208 62.448 62.300 -0.100 0.000 1.012 529 V CB 1.380 32.748 31.823 -0.759 0.000 1.006 529 V HN 1.014 nan 8.190 nan 0.000 0.477 530 D N -0.161 120.316 120.400 0.128 0.000 2.475 530 D HA 0.021 4.561 4.640 -0.166 0.000 0.306 530 D C 0.854 177.264 176.300 0.183 0.000 1.304 530 D CA 0.762 54.835 54.000 0.121 0.000 0.862 530 D CB -0.174 40.698 40.800 0.119 0.000 1.306 530 D HN 0.823 nan 8.370 nan 0.000 0.494 531 T N -1.918 112.771 114.554 0.225 0.000 9.639 531 T HA -0.377 3.873 4.350 -0.166 0.000 0.362 531 T C 1.136 176.041 174.700 0.341 0.000 1.812 531 T CA 1.594 63.884 62.100 0.316 0.000 2.782 531 T CB -2.905 66.265 68.868 0.504 0.000 2.606 531 T HN 0.981 nan 8.240 nan 0.000 1.105 532 C N 0.709 120.172 119.300 0.272 0.000 2.969 532 C HA 0.898 5.259 4.460 -0.166 0.000 0.260 532 C C 1.761 176.823 174.990 0.120 0.000 1.618 532 C CA -0.255 58.924 59.018 0.268 0.000 1.774 532 C CB -0.546 27.427 27.740 0.389 0.000 3.063 532 C HN 2.211 nan 8.230 nan 0.000 0.506 533 A N 0.016 122.876 122.820 0.067 0.000 2.826 533 A HA 0.222 4.443 4.320 -0.166 0.000 0.274 533 A C 1.577 179.164 177.584 0.005 0.000 1.443 533 A CA 1.706 53.750 52.037 0.012 0.000 0.833 533 A CB -1.898 17.087 19.000 -0.025 0.000 1.023 533 A HN 2.859 nan 8.150 nan 0.000 0.600 534 A N -2.605 120.230 122.820 0.024 0.000 3.080 534 A HA -0.280 3.941 4.320 -0.166 0.000 0.254 534 A C 1.067 178.582 177.584 -0.115 0.000 1.277 534 A CA 2.091 54.121 52.037 -0.011 0.000 1.065 534 A CB -2.312 16.690 19.000 0.003 0.000 1.160 534 A HN 1.759 nan 8.150 nan 0.000 0.886 535 E N -1.490 118.578 120.200 -0.221 0.000 2.150 535 E HA 0.084 4.335 4.350 -0.166 0.000 0.193 535 E C 0.191 176.225 176.600 -0.944 0.000 0.985 535 E CA 1.030 57.076 56.400 -0.590 0.000 0.814 535 E CB 0.029 29.273 29.700 -0.760 0.000 0.752 535 E HN 0.756 nan 8.360 nan 0.000 0.466 536 F N -0.685 119.260 119.950 -0.007 0.000 2.577 536 F HA 0.549 4.976 4.527 -0.166 0.000 0.318 536 F C 0.099 175.889 175.800 -0.016 0.000 1.065 536 F CA -1.216 56.769 58.000 -0.024 0.000 0.929 536 F CB 1.472 40.440 39.000 -0.053 0.000 1.237 536 F HN -0.186 nan 8.300 nan 0.000 0.468 537 A N 0.928 123.853 122.820 0.174 0.000 2.304 537 A HA 0.603 4.824 4.320 -0.166 0.000 0.271 537 A C -0.157 177.470 177.584 0.072 0.000 1.091 537 A CA -0.211 51.879 52.037 0.088 0.000 0.812 537 A CB 0.788 19.823 19.000 0.058 0.000 1.056 537 A HN 0.707 nan 8.150 nan 0.000 0.489 538 T N -0.857 113.721 114.554 0.040 0.000 2.912 538 T HA 0.451 4.702 4.350 -0.166 0.000 0.288 538 T C -0.300 174.401 174.700 0.001 0.000 1.030 538 T CA -0.568 61.541 62.100 0.014 0.000 1.020 538 T CB 1.055 69.929 68.868 0.010 0.000 1.056 538 T HN 0.521 nan 8.240 nan 0.000 0.480 539 D N 1.809 122.199 120.400 -0.016 0.000 2.379 539 D HA 0.170 4.710 4.640 -0.166 0.000 0.208 539 D C 0.441 176.732 176.300 -0.015 0.000 1.065 539 D CA 0.341 54.334 54.000 -0.013 0.000 0.848 539 D CB 0.556 41.348 40.800 -0.013 0.000 0.949 539 D HN 0.472 nan 8.370 nan 0.000 0.509 540 T N 0.438 114.974 114.554 -0.029 0.000 2.904 540 T HA 0.478 4.728 4.350 -0.166 0.000 0.290 540 T C 0.449 175.154 174.700 0.008 0.000 1.018 540 T CA -0.410 61.676 62.100 -0.025 0.000 1.075 540 T CB 1.875 70.678 68.868 -0.109 0.000 0.986 540 T HN -0.062 nan 8.240 nan 0.000 0.523 541 A N 2.768 125.603 122.820 0.024 0.000 3.257 541 A HA 0.327 4.548 4.320 -0.166 0.000 0.308 541 A C -0.583 177.025 177.584 0.040 0.000 1.175 541 A CA -0.442 51.590 52.037 -0.007 0.000 1.018 541 A CB -0.355 18.601 19.000 -0.074 0.000 1.088 541 A HN 0.714 nan 8.150 nan 0.000 0.567 542 Y N 1.983 122.256 120.300 -0.045 0.000 2.594 542 Y HA 0.664 5.114 4.550 -0.166 0.000 0.342 542 Y C -0.368 175.549 175.900 0.028 0.000 1.010 542 Y CA -1.537 56.578 58.100 0.024 0.000 1.270 542 Y CB 0.045 38.560 38.460 0.092 0.000 1.125 542 Y HN 0.498 nan 8.280 nan 0.000 0.513 543 M N 6.370 126.104 119.600 0.223 0.000 2.724 543 M HA 0.523 4.903 4.480 -0.166 0.000 0.310 543 M C -1.440 175.068 176.300 0.347 0.000 1.217 543 M CA -1.089 54.280 55.300 0.116 0.000 0.894 543 M CB 2.596 35.133 32.600 -0.106 0.000 1.719 543 M HN 0.480 nan 8.290 nan 0.000 0.479 544 Y N -1.781 118.657 120.300 0.229 0.000 2.544 544 Y HA 0.768 5.218 4.550 -0.166 0.000 0.342 544 Y C -0.682 175.355 175.900 0.229 0.000 1.062 544 Y CA -1.427 56.823 58.100 0.251 0.000 1.023 544 Y CB 0.802 39.279 38.460 0.029 0.000 1.308 544 Y HN 0.720 nan 8.280 nan 0.000 0.457 545 S N 1.492 117.355 115.700 0.271 0.000 2.586 545 S HA 0.773 5.143 4.470 -0.166 0.000 0.274 545 S C -0.347 174.246 174.600 -0.011 0.000 1.281 545 S CA 0.037 58.158 58.200 -0.131 0.000 1.035 545 S CB 1.661 64.753 63.200 -0.179 0.000 0.962 545 S HN 1.103 nan 8.310 nan 0.000 0.512 546 T N 0.860 115.291 114.554 -0.206 0.000 2.840 546 T HA 0.415 4.665 4.350 -0.166 0.000 0.317 546 T C -2.127 172.472 174.700 -0.168 0.000 1.401 546 T CA -0.584 61.508 62.100 -0.013 0.000 1.028 546 T CB 0.761 69.680 68.868 0.085 0.000 1.317 546 T HN 0.602 nan 8.240 nan 0.000 0.495 547 Y N 2.390 122.677 120.300 -0.021 0.000 2.751 547 Y HA 0.509 4.959 4.550 -0.167 0.000 0.333 547 Y C 0.871 176.769 175.900 -0.002 0.000 1.122 547 Y CA -0.166 57.923 58.100 -0.019 0.000 1.367 547 Y CB 0.608 39.070 38.460 0.004 0.000 1.242 547 Y HN 0.608 nan 8.280 nan 0.000 0.505 548 E N 0.099 120.304 120.200 0.009 0.000 2.489 548 E HA 0.258 4.508 4.350 -0.166 0.000 0.201 548 E C 0.504 177.113 176.600 0.014 0.000 0.752 548 E CA -0.547 55.873 56.400 0.034 0.000 0.948 548 E CB 1.070 30.790 29.700 0.033 0.000 1.871 548 E HN 0.285 nan 8.360 nan 0.000 0.383 549 E N 0.713 120.921 120.200 0.013 0.000 2.065 549 E HA 0.032 4.283 4.350 -0.166 0.000 0.191 549 E C -0.123 176.477 176.600 0.001 0.000 0.960 549 E CA 0.509 56.916 56.400 0.013 0.000 0.824 549 E CB 0.154 29.866 29.700 0.020 0.000 0.793 549 E HN 0.311 nan 8.360 nan 0.000 0.459 550 E N 0.532 120.730 120.200 -0.002 0.000 2.259 550 E HA 0.148 4.398 4.350 -0.166 0.000 0.281 550 E C -1.115 175.476 176.600 -0.015 0.000 1.027 550 E CA -0.237 56.162 56.400 -0.003 0.000 0.838 550 E CB 1.127 30.829 29.700 0.002 0.000 1.066 550 E HN 0.031 nan 8.360 nan 0.000 0.401 551 C N 4.411 123.712 119.300 0.002 0.000 2.341 551 C HA 0.313 4.673 4.460 -0.166 0.000 0.338 551 C C 0.596 175.606 174.990 0.033 0.000 1.257 551 C CA -0.260 58.772 59.018 0.023 0.000 1.883 551 C CB 0.085 27.861 27.740 0.059 0.000 2.334 551 C HN 0.919 nan 8.230 nan 0.000 0.524 552 E N 2.682 122.908 120.200 0.043 0.000 2.583 552 E HA 0.132 4.382 4.350 -0.166 0.000 0.213 552 E C 1.528 178.151 176.600 0.039 0.000 0.989 552 E CA 0.254 56.671 56.400 0.027 0.000 0.991 552 E CB 0.498 30.199 29.700 0.001 0.000 1.040 552 E HN 0.804 nan 8.360 nan 0.000 0.481 553 A N 2.366 125.239 122.820 0.088 0.000 1.851 553 A HA -0.262 3.958 4.320 -0.166 0.000 0.216 553 A C 1.295 178.891 177.584 0.020 0.000 1.195 553 A CA 1.364 53.436 52.037 0.059 0.000 0.622 553 A CB -0.626 18.437 19.000 0.104 0.000 0.831 553 A HN 0.528 nan 8.150 nan 0.000 0.444 554 N N -0.351 118.367 118.700 0.030 0.000 2.686 554 N HA -0.126 4.514 4.740 -0.166 0.000 0.261 554 N C -2.315 173.203 175.510 0.013 0.000 1.001 554 N CA 0.164 53.225 53.050 0.018 0.000 0.764 554 N CB -0.817 37.677 38.487 0.012 0.000 0.898 554 N HN 0.301 nan 8.380 nan 0.000 0.544 555 P HA 0.007 nan 4.420 nan 0.000 0.269 555 P C -0.117 177.192 177.300 0.014 0.000 1.211 555 P CA -0.018 63.093 63.100 0.020 0.000 0.781 555 P CB 0.580 32.294 31.700 0.022 0.000 0.877 556 S N -0.661 115.048 115.700 0.015 0.000 2.616 556 S HA 0.373 4.743 4.470 -0.166 0.000 0.277 556 S C 0.875 175.483 174.600 0.013 0.000 1.234 556 S CA 0.083 58.290 58.200 0.012 0.000 1.028 556 S CB 0.588 63.796 63.200 0.014 0.000 0.988 556 S HN 0.567 nan 8.310 nan 0.000 0.522 557 T N -1.439 113.120 114.554 0.010 0.000 3.001 557 T HA 0.154 4.404 4.350 -0.166 0.000 0.251 557 T C 0.886 175.591 174.700 0.008 0.000 1.040 557 T CA 0.030 62.135 62.100 0.008 0.000 0.985 557 T CB -0.289 68.582 68.868 0.006 0.000 1.011 557 T HN 0.524 nan 8.240 nan 0.000 0.509 558 D N 2.885 123.290 120.400 0.008 0.000 2.225 558 D HA -0.062 4.478 4.640 -0.166 0.000 0.229 558 D C 1.316 177.620 176.300 0.007 0.000 1.096 558 D CA 1.127 55.130 54.000 0.005 0.000 0.964 558 D CB -0.002 40.801 40.800 0.004 0.000 1.336 558 D HN 0.506 nan 8.370 nan 0.000 0.511 559 R N 0.569 121.075 120.500 0.011 0.000 2.652 559 R HA 0.356 4.596 4.340 -0.166 0.000 0.272 559 R C 0.167 176.492 176.300 0.041 0.000 1.162 559 R CA -0.387 55.724 56.100 0.017 0.000 1.199 559 R CB 0.022 30.332 30.300 0.016 0.000 1.166 559 R HN 0.200 nan 8.270 nan 0.000 0.597 560 E N 1.215 121.455 120.200 0.066 0.000 2.194 560 E HA 0.153 4.403 4.350 -0.166 0.000 0.284 560 E C -0.858 175.858 176.600 0.193 0.000 1.035 560 E CA -0.329 56.152 56.400 0.136 0.000 0.836 560 E CB 1.091 30.912 29.700 0.202 0.000 1.070 560 E HN 0.236 nan 8.360 nan 0.000 0.401 561 K N 2.847 123.318 120.400 0.118 0.000 2.159 561 K HA 0.449 4.669 4.320 -0.166 0.000 0.266 561 K C -0.555 176.061 176.600 0.026 0.000 0.975 561 K CA -0.754 55.583 56.287 0.082 0.000 0.865 561 K CB 1.332 33.860 32.500 0.046 0.000 1.087 561 K HN 0.307 nan 8.250 nan 0.000 0.446 562 I N 3.326 123.891 120.570 -0.008 0.000 2.418 562 I HA 0.293 4.364 4.170 -0.166 0.000 0.287 562 I C -0.520 175.560 176.117 -0.062 0.000 1.008 562 I CA -0.640 60.599 61.300 -0.101 0.000 1.104 562 I CB 1.456 39.303 38.000 -0.255 0.000 1.264 562 I HN 0.697 nan 8.210 nan 0.000 0.438 563 M N 6.502 126.062 119.600 -0.068 0.000 2.157 563 M HA 0.474 4.854 4.480 -0.166 0.000 0.354 563 M C -1.128 175.132 176.300 -0.067 0.000 1.170 563 M CA -0.547 54.725 55.300 -0.047 0.000 1.060 563 M CB 1.248 33.819 32.600 -0.048 0.000 1.615 563 M HN 0.270 nan 8.290 nan 0.000 0.460 564 V N 6.721 126.609 119.914 -0.044 0.000 2.357 564 V HA 0.370 4.391 4.120 -0.166 0.000 0.284 564 V C -0.219 175.862 176.094 -0.021 0.000 1.018 564 V CA -0.715 61.558 62.300 -0.045 0.000 0.841 564 V CB 1.303 33.113 31.823 -0.022 0.000 0.991 564 V HN 0.755 nan 8.190 nan 0.000 0.437 565 L N 4.952 126.160 121.223 -0.025 0.000 2.260 565 L HA 0.552 4.792 4.340 -0.166 0.000 0.289 565 L C 1.146 178.015 176.870 -0.002 0.000 1.057 565 L CA 0.011 54.839 54.840 -0.020 0.000 0.811 565 L CB 0.995 43.037 42.059 -0.029 0.000 1.184 565 L HN 0.775 nan 8.230 nan 0.000 0.429 566 G N 1.729 110.519 108.800 -0.017 0.000 2.588 566 G HA2 0.360 4.221 3.960 -0.166 0.000 0.278 566 G HA3 0.360 4.221 3.960 -0.166 0.000 0.278 566 G C 0.729 175.610 174.900 -0.032 0.000 1.307 566 G CA 0.031 45.122 45.100 -0.015 0.000 1.016 566 G HN 0.756 nan 8.290 nan 0.000 0.503 567 G N -1.618 107.161 108.800 -0.035 0.000 3.575 567 G HA2 0.548 4.408 3.960 -0.166 0.000 0.273 567 G HA3 0.548 4.408 3.960 -0.166 0.000 0.273 567 G C 0.903 175.762 174.900 -0.068 0.000 1.053 567 G CA 0.818 45.878 45.100 -0.066 0.000 0.803 567 G HN 1.804 nan 8.290 nan 0.000 0.528 568 G N 0.862 109.620 108.800 -0.070 0.000 2.598 568 G HA2 -0.179 3.682 3.960 -0.166 0.000 0.244 568 G HA3 -0.179 3.682 3.960 -0.166 0.000 0.244 568 G C -2.373 172.493 174.900 -0.056 0.000 1.302 568 G CA -0.338 44.721 45.100 -0.068 0.000 0.903 568 G HN 0.362 nan 8.290 nan 0.000 0.575 569 P HA 0.167 nan 4.420 nan 0.000 0.269 569 P C -0.080 177.199 177.300 -0.035 0.000 1.209 569 P CA 0.065 63.142 63.100 -0.038 0.000 0.776 569 P CB 0.163 31.842 31.700 -0.034 0.000 0.876 570 N N 1.875 120.556 118.700 -0.031 0.000 2.525 570 N HA 0.354 4.995 4.740 -0.166 0.000 0.271 570 N C 0.010 175.504 175.510 -0.027 0.000 1.194 570 N CA -0.269 52.772 53.050 -0.015 0.000 0.964 570 N CB 0.441 38.927 38.487 -0.002 0.000 1.126 570 N HN 0.320 nan 8.380 nan 0.000 0.452 571 R N 0.752 121.244 120.500 -0.013 0.000 2.799 571 R HA 0.464 4.704 4.340 -0.166 0.000 0.270 571 R C -0.854 175.448 176.300 0.003 0.000 1.010 571 R CA -0.826 55.265 56.100 -0.014 0.000 0.916 571 R CB 0.960 31.245 30.300 -0.024 0.000 1.228 571 R HN 0.420 nan 8.270 nan 0.000 0.469 572 I N 1.859 122.433 120.570 0.006 0.000 2.668 572 I HA 0.100 4.170 4.170 -0.166 0.000 0.285 572 I C 1.197 177.307 176.117 -0.012 0.000 1.168 572 I CA 1.794 63.097 61.300 0.005 0.000 1.424 572 I CB 0.499 38.506 38.000 0.011 0.000 1.377 572 I HN 0.962 nan 8.210 nan 0.000 0.560 573 G N 4.654 113.465 108.800 0.018 0.000 2.199 573 G HA2 -0.219 3.642 3.960 -0.166 0.000 0.254 573 G HA3 -0.219 3.642 3.960 -0.166 0.000 0.254 573 G C 0.283 175.271 174.900 0.146 0.000 0.982 573 G CA -0.316 44.815 45.100 0.052 0.000 0.632 573 G HN 0.541 nan 8.290 nan 0.000 0.529 574 Q N 0.572 120.443 119.800 0.118 0.000 3.230 574 Q HA 0.507 4.748 4.340 -0.166 0.000 0.303 574 Q C 0.670 176.784 176.000 0.190 0.000 0.884 574 Q CA 0.340 56.193 55.803 0.082 0.000 0.859 574 Q CB 0.788 29.459 28.738 -0.111 0.000 1.432 574 Q HN 0.572 nan 8.270 nan 0.000 0.403 575 G N 0.050 109.050 108.800 0.333 0.000 2.641 575 G HA2 0.363 4.224 3.960 -0.166 0.000 0.239 575 G HA3 0.363 4.224 3.960 -0.166 0.000 0.239 575 G C 0.707 175.724 174.900 0.194 0.000 1.402 575 G CA -0.589 44.622 45.100 0.185 0.000 1.046 575 G HN 0.433 nan 8.290 nan 0.000 0.565 576 I N -0.302 120.314 120.570 0.078 0.000 2.700 576 I HA -0.114 3.956 4.170 -0.166 0.000 0.261 576 I C 2.406 178.534 176.117 0.018 0.000 1.219 576 I CA 1.172 62.508 61.300 0.060 0.000 1.463 576 I CB 0.038 38.061 38.000 0.039 0.000 1.092 576 I HN 0.540 nan 8.210 nan 0.000 0.452 577 E N 0.482 120.616 120.200 -0.110 0.000 2.110 577 E HA -0.222 4.028 4.350 -0.166 0.000 0.193 577 E C 1.792 178.182 176.600 -0.350 0.000 0.988 577 E CA 1.708 57.911 56.400 -0.327 0.000 0.804 577 E CB -0.317 29.042 29.700 -0.568 0.000 0.745 577 E HN 0.539 nan 8.360 nan 0.000 0.458 578 F N 0.340 120.291 119.950 0.002 0.000 2.259 578 F HA -0.030 4.396 4.527 -0.169 0.000 0.298 578 F C 2.030 177.844 175.800 0.023 0.000 1.088 578 F CA 1.000 59.001 58.000 0.002 0.000 1.358 578 F CB -0.321 38.681 39.000 0.003 0.000 1.040 578 F HN -0.024 nan 8.300 nan 0.000 0.505 579 D N -0.732 119.787 120.400 0.198 0.000 2.144 579 D HA -0.264 4.276 4.640 -0.166 0.000 0.199 579 D C 2.121 178.465 176.300 0.074 0.000 0.984 579 D CA 1.039 55.111 54.000 0.119 0.000 0.834 579 D CB -0.249 40.605 40.800 0.089 0.000 0.955 579 D HN 0.305 nan 8.370 nan 0.000 0.465 580 Y N 0.499 120.746 120.300 -0.089 0.000 2.081 580 Y HA -0.341 4.109 4.550 -0.166 0.000 0.280 580 Y C 2.309 178.047 175.900 -0.270 0.000 1.163 580 Y CA 1.791 59.767 58.100 -0.207 0.000 1.135 580 Y CB -0.498 37.806 38.460 -0.260 0.000 0.970 580 Y HN 0.152 nan 8.280 nan 0.000 0.498 581 C N -0.711 118.559 119.300 -0.048 0.000 2.413 581 C HA -0.265 4.096 4.460 -0.166 0.000 0.277 581 C C 2.970 178.042 174.990 0.135 0.000 1.228 581 C CA 1.078 60.028 59.018 -0.113 0.000 1.731 581 C CB -1.699 25.858 27.740 -0.305 0.000 2.042 581 C HN 0.800 nan 8.230 nan 0.000 0.468 582 C N 0.523 119.936 119.300 0.189 0.000 2.385 582 C HA -0.129 4.231 4.460 -0.166 0.000 0.275 582 C C 2.734 177.805 174.990 0.134 0.000 1.207 582 C CA 1.373 60.517 59.018 0.211 0.000 1.760 582 C CB -1.460 26.358 27.740 0.131 0.000 2.051 582 C HN 0.561 nan 8.230 nan 0.000 0.467 583 V N -0.261 119.687 119.914 0.057 0.000 2.295 583 V HA -0.267 3.753 4.120 -0.166 0.000 0.246 583 V C 2.272 178.444 176.094 0.130 0.000 1.049 583 V CA 2.168 64.496 62.300 0.046 0.000 1.024 583 V CB -0.992 30.817 31.823 -0.024 0.000 0.648 583 V HN 0.667 nan 8.190 nan 0.000 0.447 584 H N -0.145 118.868 119.070 -0.095 0.000 2.319 584 H HA -0.191 4.266 4.556 -0.165 0.000 0.299 584 H C 2.395 177.749 175.328 0.043 0.000 1.092 584 H CA 1.234 57.242 56.048 -0.067 0.000 1.302 584 H CB -0.059 29.641 29.762 -0.104 0.000 1.373 584 H HN 0.477 nan 8.280 nan 0.000 0.497 585 A N 0.428 123.414 122.820 0.277 0.000 1.892 585 A HA -0.261 3.959 4.320 -0.166 0.000 0.218 585 A C 2.533 180.155 177.584 0.063 0.000 1.188 585 A CA 2.053 54.189 52.037 0.165 0.000 0.631 585 A CB -0.923 18.130 19.000 0.089 0.000 0.822 585 A HN 0.395 nan 8.150 nan 0.000 0.447 586 S N -0.544 115.195 115.700 0.065 0.000 2.406 586 S HA -0.124 4.247 4.470 -0.166 0.000 0.211 586 S C 1.917 176.538 174.600 0.034 0.000 1.045 586 S CA 1.382 59.605 58.200 0.038 0.000 1.058 586 S CB -0.735 62.486 63.200 0.035 0.000 1.044 586 S HN 0.471 nan 8.310 nan 0.000 0.413 587 L N 1.367 122.604 121.223 0.024 0.000 2.095 587 L HA -0.331 3.909 4.340 -0.166 0.000 0.229 587 L C 2.778 179.646 176.870 -0.003 0.000 1.097 587 L CA 1.850 56.688 54.840 -0.003 0.000 0.813 587 L CB -1.221 40.811 42.059 -0.046 0.000 0.907 587 L HN 0.532 nan 8.230 nan 0.000 0.445 588 A N 0.343 123.161 122.820 -0.004 0.000 1.829 588 A HA -0.214 4.006 4.320 -0.166 0.000 0.216 588 A C 2.170 179.788 177.584 0.058 0.000 1.207 588 A CA 2.023 54.066 52.037 0.010 0.000 0.622 588 A CB -1.026 17.988 19.000 0.023 0.000 0.846 588 A HN 0.391 nan 8.150 nan 0.000 0.447 589 L N -0.948 120.323 121.223 0.080 0.000 2.081 589 L HA -0.257 3.983 4.340 -0.166 0.000 0.212 589 L C 2.819 179.818 176.870 0.215 0.000 1.080 589 L CA 1.986 56.934 54.840 0.180 0.000 0.754 589 L CB -0.607 41.488 42.059 0.059 0.000 0.893 589 L HN 0.525 nan 8.230 nan 0.000 0.433 590 R N 0.642 121.211 120.500 0.114 0.000 2.073 590 R HA -0.247 3.994 4.340 -0.166 0.000 0.234 590 R C 2.264 178.596 176.300 0.054 0.000 1.134 590 R CA 1.966 58.116 56.100 0.083 0.000 0.952 590 R CB -0.108 30.222 30.300 0.051 0.000 0.850 590 R HN 0.352 nan 8.270 nan 0.000 0.433 591 E N 0.621 120.845 120.200 0.040 0.000 2.058 591 E HA -0.209 4.041 4.350 -0.166 0.000 0.194 591 E C 1.283 177.892 176.600 0.015 0.000 0.997 591 E CA 2.064 58.475 56.400 0.018 0.000 0.801 591 E CB -0.159 29.546 29.700 0.009 0.000 0.746 591 E HN 0.324 nan 8.360 nan 0.000 0.450 592 D N -1.084 119.343 120.400 0.045 0.000 2.263 592 D HA -0.033 4.507 4.640 -0.166 0.000 0.208 592 D C 1.221 177.472 176.300 -0.081 0.000 0.971 592 D CA 1.451 55.465 54.000 0.024 0.000 0.867 592 D CB 0.132 41.012 40.800 0.132 0.000 0.929 592 D HN 0.454 nan 8.370 nan 0.000 0.492 593 G N -1.265 107.504 108.800 -0.051 0.000 2.184 593 G HA2 -0.240 3.620 3.960 -0.166 0.000 0.206 593 G HA3 -0.240 3.620 3.960 -0.166 0.000 0.206 593 G C -0.076 174.741 174.900 -0.138 0.000 0.995 593 G CA -0.432 44.599 45.100 -0.115 0.000 0.651 593 G HN 0.247 nan 8.290 nan 0.000 0.511 594 Y N 0.887 121.183 120.300 -0.005 0.000 2.300 594 Y HA 0.501 4.952 4.550 -0.165 0.000 0.328 594 Y C 0.941 176.840 175.900 -0.003 0.000 1.270 594 Y CA -0.097 58.000 58.100 -0.005 0.000 1.352 594 Y CB 0.760 39.215 38.460 -0.008 0.000 1.286 594 Y HN 0.197 nan 8.280 nan 0.000 0.536 595 E N 1.745 122.057 120.200 0.186 0.000 2.089 595 E HA 0.173 4.423 4.350 -0.166 0.000 0.284 595 E C -0.874 175.781 176.600 0.092 0.000 1.023 595 E CA -0.634 55.828 56.400 0.103 0.000 0.819 595 E CB 0.460 30.200 29.700 0.068 0.000 1.076 595 E HN 0.673 nan 8.360 nan 0.000 0.396 596 T N 2.419 117.017 114.554 0.073 0.000 2.856 596 T HA 0.467 4.717 4.350 -0.166 0.000 0.292 596 T C 0.170 174.896 174.700 0.043 0.000 0.980 596 T CA -0.622 61.507 62.100 0.049 0.000 1.091 596 T CB 0.524 69.417 68.868 0.041 0.000 0.936 596 T HN 0.378 nan 8.240 nan 0.000 0.503 597 I N 3.472 124.067 120.570 0.042 0.000 2.448 597 I HA 0.330 4.401 4.170 -0.166 0.000 0.281 597 I C -0.297 175.862 176.117 0.071 0.000 1.027 597 I CA -0.861 60.483 61.300 0.074 0.000 1.111 597 I CB 1.816 39.882 38.000 0.110 0.000 1.236 597 I HN 0.619 nan 8.210 nan 0.000 0.452 598 M N 7.815 127.455 119.600 0.066 0.000 2.233 598 M HA 0.492 4.872 4.480 -0.166 0.000 0.355 598 M C -1.205 175.140 176.300 0.075 0.000 1.191 598 M CA -0.135 55.192 55.300 0.044 0.000 1.101 598 M CB 1.245 33.848 32.600 0.005 0.000 1.592 598 M HN 0.274 nan 8.290 nan 0.000 0.461 599 V N 5.637 125.569 119.914 0.029 0.000 2.349 599 V HA 0.658 4.678 4.120 -0.166 0.000 0.284 599 V C -0.622 175.438 176.094 -0.058 0.000 1.014 599 V CA -0.608 61.704 62.300 0.019 0.000 0.826 599 V CB 0.881 32.706 31.823 0.002 0.000 1.009 599 V HN 0.944 nan 8.190 nan 0.000 0.431 600 N N 2.659 121.274 118.700 -0.141 0.000 2.961 600 N HA 0.476 5.117 4.740 -0.166 0.000 0.245 600 N C -0.371 174.819 175.510 -0.534 0.000 1.404 600 N CA -0.235 52.668 53.050 -0.246 0.000 0.880 600 N CB 2.013 40.370 38.487 -0.216 0.000 1.461 600 N HN 0.650 nan 8.380 nan 0.000 0.510 601 C N -0.108 118.896 119.300 -0.493 0.000 3.245 601 C HA 0.533 4.894 4.460 -0.166 0.000 0.254 601 C C 0.006 174.790 174.990 -0.343 0.000 1.931 601 C CA -1.023 57.564 59.018 -0.718 0.000 1.726 601 C CB -1.579 26.048 27.740 -0.187 0.000 3.348 601 C HN 0.568 nan 8.230 nan 0.000 0.458 602 N N 2.994 121.521 118.700 -0.290 0.000 2.414 602 N HA 0.337 4.977 4.740 -0.166 0.000 0.256 602 N C -1.252 174.253 175.510 -0.008 0.000 1.029 602 N CA -2.039 50.958 53.050 -0.088 0.000 0.948 602 N CB 1.867 40.301 38.487 -0.088 0.000 1.102 602 N HN 0.244 nan 8.380 nan 0.000 0.496 603 P HA -0.028 nan 4.420 nan 0.000 0.229 603 P C 0.132 177.374 177.300 -0.096 0.000 1.160 603 P CA 1.035 64.219 63.100 0.140 0.000 0.777 603 P CB 0.457 32.221 31.700 0.106 0.000 0.814 604 E N -0.009 120.129 120.200 -0.102 0.000 2.435 604 E HA 0.002 4.252 4.350 -0.166 0.000 0.195 604 E C 0.826 177.338 176.600 -0.145 0.000 1.029 604 E CA 0.540 56.853 56.400 -0.146 0.000 0.865 604 E CB -0.197 29.443 29.700 -0.099 0.000 0.833 604 E HN 0.378 nan 8.360 nan 0.000 0.510 605 T N -2.614 111.857 114.554 -0.138 0.000 2.944 605 T HA 0.249 4.499 4.350 -0.166 0.000 0.284 605 T C 1.277 175.951 174.700 -0.044 0.000 1.010 605 T CA -0.829 61.238 62.100 -0.054 0.000 1.025 605 T CB 1.925 70.775 68.868 -0.031 0.000 1.079 605 T HN -0.232 nan 8.240 nan 0.000 0.516 606 V N 1.674 121.640 119.914 0.086 0.000 2.490 606 V HA -0.167 3.853 4.120 -0.166 0.000 0.250 606 V C 3.041 179.155 176.094 0.034 0.000 1.061 606 V CA 2.306 64.685 62.300 0.132 0.000 1.064 606 V CB -1.143 30.743 31.823 0.106 0.000 0.670 606 V HN 1.103 nan 8.190 nan 0.000 0.461 607 S N 0.938 116.635 115.700 -0.005 0.000 2.382 607 S HA -0.211 4.159 4.470 -0.166 0.000 0.228 607 S C 1.855 176.412 174.600 -0.072 0.000 1.027 607 S CA 1.768 59.950 58.200 -0.031 0.000 0.991 607 S CB -0.950 62.230 63.200 -0.033 0.000 0.823 607 S HN 0.726 nan 8.310 nan 0.000 0.469 608 T N -0.987 113.505 114.554 -0.104 0.000 3.252 608 T HA 0.156 4.406 4.350 -0.166 0.000 0.250 608 T C 0.125 174.753 174.700 -0.119 0.000 1.123 608 T CA -0.055 61.979 62.100 -0.111 0.000 1.006 608 T CB -0.420 68.400 68.868 -0.080 0.000 0.992 608 T HN 0.308 nan 8.240 nan 0.000 0.547 609 D N 1.505 121.840 120.400 -0.108 0.000 2.295 609 D HA 0.072 4.612 4.640 -0.166 0.000 0.248 609 D C 1.080 177.248 176.300 -0.220 0.000 1.154 609 D CA -0.906 53.011 54.000 -0.139 0.000 0.857 609 D CB 0.760 41.579 40.800 0.032 0.000 1.117 609 D HN 0.452 nan 8.370 nan 0.000 0.468 610 Y N 2.067 122.286 120.300 -0.136 0.000 2.446 610 Y HA -0.132 4.319 4.550 -0.166 0.000 0.287 610 Y C 1.221 177.102 175.900 -0.031 0.000 1.159 610 Y CA 0.871 58.891 58.100 -0.134 0.000 1.297 610 Y CB -0.374 38.035 38.460 -0.086 0.000 0.974 610 Y HN 0.259 nan 8.280 nan 0.000 0.557 611 D N 0.089 120.395 120.400 -0.156 0.000 2.249 611 D HA -0.081 4.460 4.640 -0.166 0.000 0.205 611 D C 1.776 178.074 176.300 -0.004 0.000 0.962 611 D CA 1.490 55.478 54.000 -0.021 0.000 0.860 611 D CB -0.150 40.598 40.800 -0.087 0.000 0.955 611 D HN 0.460 nan 8.370 nan 0.000 0.505 612 T N 0.316 114.853 114.554 -0.028 0.000 2.881 612 T HA -0.068 4.182 4.350 -0.166 0.000 0.270 612 T C 1.227 175.933 174.700 0.010 0.000 1.068 612 T CA 0.914 63.010 62.100 -0.008 0.000 1.131 612 T CB 0.091 68.951 68.868 -0.012 0.000 0.871 612 T HN 0.226 nan 8.240 nan 0.000 0.479 613 S N -0.684 115.026 115.700 0.017 0.000 2.685 613 S HA 0.428 4.798 4.470 -0.166 0.000 0.282 613 S C -0.058 174.563 174.600 0.036 0.000 1.159 613 S CA -0.921 57.294 58.200 0.025 0.000 0.833 613 S CB 1.591 64.802 63.200 0.019 0.000 1.151 613 S HN -0.120 nan 8.310 nan 0.000 0.485 614 D N 0.582 121.002 120.400 0.033 0.000 2.103 614 D HA 0.118 4.658 4.640 -0.166 0.000 0.199 614 D C 0.291 176.599 176.300 0.014 0.000 0.978 614 D CA 1.200 55.218 54.000 0.030 0.000 0.829 614 D CB 0.049 40.868 40.800 0.032 0.000 0.981 614 D HN 0.431 nan 8.370 nan 0.000 0.464 615 R N -0.010 120.488 120.500 -0.002 0.000 2.575 615 R HA 0.468 4.708 4.340 -0.166 0.000 0.293 615 R C -1.270 174.990 176.300 -0.067 0.000 0.983 615 R CA -0.784 55.276 56.100 -0.067 0.000 0.887 615 R CB 2.362 32.615 30.300 -0.078 0.000 1.184 615 R HN -0.064 nan 8.270 nan 0.000 0.445 616 L N 3.166 124.323 121.223 -0.111 0.000 2.333 616 L HA 0.440 4.680 4.340 -0.166 0.000 0.280 616 L C -1.684 175.153 176.870 -0.055 0.000 1.004 616 L CA -0.481 54.336 54.840 -0.038 0.000 0.820 616 L CB 1.099 43.132 42.059 -0.043 0.000 1.247 616 L HN 0.538 nan 8.230 nan 0.000 0.416 617 Y N 5.367 125.720 120.300 0.088 0.000 2.587 617 Y HA 0.317 4.767 4.550 -0.167 0.000 0.328 617 Y C -0.397 175.614 175.900 0.184 0.000 0.980 617 Y CA -0.289 57.893 58.100 0.136 0.000 1.272 617 Y CB 0.944 39.419 38.460 0.025 0.000 1.094 617 Y HN 0.543 nan 8.280 nan 0.000 0.503 618 F N 4.890 125.035 119.950 0.325 0.000 2.662 618 F HA 0.164 4.591 4.527 -0.166 0.000 0.343 618 F C 0.082 176.023 175.800 0.234 0.000 1.302 618 F CA 0.114 58.272 58.000 0.264 0.000 1.142 618 F CB -0.337 38.875 39.000 0.353 0.000 1.524 618 F HN 0.428 nan 8.300 nan 0.000 0.668 619 E N 4.434 124.748 120.200 0.190 0.000 2.446 619 E HA 0.367 4.617 4.350 -0.166 0.000 0.276 619 E C -2.773 173.867 176.600 0.066 0.000 0.969 619 E CA -2.251 54.265 56.400 0.194 0.000 0.800 619 E CB 1.489 31.315 29.700 0.210 0.000 1.341 619 E HN 0.045 nan 8.360 nan 0.000 0.460 620 P HA 0.078 nan 4.420 nan 0.000 0.271 620 P C 0.058 177.369 177.300 0.019 0.000 1.220 620 P CA -0.197 62.928 63.100 0.042 0.000 0.768 620 P CB 0.365 32.098 31.700 0.056 0.000 0.848 621 V N 3.961 123.869 119.914 -0.010 0.000 2.055 621 V HA 0.098 4.119 4.120 -0.166 0.000 0.248 621 V C 1.068 177.155 176.094 -0.012 0.000 1.476 621 V CA 0.313 62.601 62.300 -0.019 0.000 1.417 621 V CB -1.501 30.299 31.823 -0.038 0.000 1.465 621 V HN 0.669 nan 8.190 nan 0.000 0.502 622 T N -0.427 114.128 114.554 0.002 0.000 2.942 622 T HA 0.537 4.788 4.350 -0.166 0.000 0.289 622 T C 0.716 175.420 174.700 0.005 0.000 1.044 622 T CA -0.725 61.378 62.100 0.005 0.000 1.023 622 T CB 2.151 71.031 68.868 0.019 0.000 1.123 622 T HN 0.083 nan 8.240 nan 0.000 0.512 623 L N 0.973 122.199 121.223 0.004 0.000 2.012 623 L HA -0.017 4.223 4.340 -0.166 0.000 0.210 623 L C 2.599 179.479 176.870 0.017 0.000 1.073 623 L CA 2.372 57.215 54.840 0.004 0.000 0.748 623 L CB -1.066 40.995 42.059 0.003 0.000 0.891 623 L HN 1.015 nan 8.230 nan 0.000 0.431 624 E N -0.643 119.575 120.200 0.030 0.000 2.033 624 E HA -0.287 3.964 4.350 -0.166 0.000 0.199 624 E C 1.775 178.413 176.600 0.063 0.000 1.011 624 E CA 1.995 58.426 56.400 0.052 0.000 0.815 624 E CB -0.236 29.502 29.700 0.062 0.000 0.755 624 E HN 0.625 nan 8.360 nan 0.000 0.451 625 D N 0.025 120.461 120.400 0.061 0.000 2.144 625 D HA -0.135 4.406 4.640 -0.166 0.000 0.199 625 D C 2.175 178.492 176.300 0.030 0.000 0.984 625 D CA 1.066 55.109 54.000 0.071 0.000 0.834 625 D CB -0.037 40.813 40.800 0.084 0.000 0.955 625 D HN 0.160 nan 8.370 nan 0.000 0.465 626 V N 1.712 121.625 119.914 -0.001 0.000 2.270 626 V HA -0.218 3.803 4.120 -0.166 0.000 0.245 626 V C 2.743 178.805 176.094 -0.053 0.000 1.043 626 V CA 1.097 63.370 62.300 -0.045 0.000 1.014 626 V CB -0.544 31.256 31.823 -0.039 0.000 0.645 626 V HN 0.169 nan 8.190 nan 0.000 0.447 627 L N -0.287 120.927 121.223 -0.015 0.000 2.043 627 L HA -0.211 4.029 4.340 -0.166 0.000 0.212 627 L C 2.712 179.582 176.870 -0.000 0.000 1.075 627 L CA 1.488 56.325 54.840 -0.005 0.000 0.752 627 L CB -0.753 41.318 42.059 0.019 0.000 0.891 627 L HN 0.346 nan 8.230 nan 0.000 0.432 628 E N 0.141 120.362 120.200 0.036 0.000 2.153 628 E HA -0.156 4.094 4.350 -0.166 0.000 0.194 628 E C 2.233 178.838 176.600 0.008 0.000 0.988 628 E CA 1.149 57.596 56.400 0.079 0.000 0.811 628 E CB -0.059 29.736 29.700 0.159 0.000 0.746 628 E HN 0.585 nan 8.360 nan 0.000 0.466 629 I N 0.125 120.611 120.570 -0.140 0.000 2.277 629 I HA -0.179 3.891 4.170 -0.166 0.000 0.243 629 I C 2.341 178.301 176.117 -0.262 0.000 1.094 629 I CA 0.475 61.527 61.300 -0.413 0.000 1.393 629 I CB -0.267 37.380 38.000 -0.588 0.000 1.078 629 I HN -0.083 nan 8.210 nan 0.000 0.417 630 V N 1.069 120.885 119.914 -0.164 0.000 2.332 630 V HA -0.306 3.714 4.120 -0.166 0.000 0.248 630 V C 2.643 178.689 176.094 -0.081 0.000 1.055 630 V CA 1.885 64.122 62.300 -0.106 0.000 1.038 630 V CB -0.879 30.899 31.823 -0.075 0.000 0.651 630 V HN 0.411 nan 8.190 nan 0.000 0.450 631 R N 0.309 120.767 120.500 -0.071 0.000 2.113 631 R HA -0.225 4.015 4.340 -0.166 0.000 0.244 631 R C 2.250 178.507 176.300 -0.070 0.000 1.142 631 R CA 2.644 58.703 56.100 -0.068 0.000 0.953 631 R CB -0.330 29.923 30.300 -0.078 0.000 0.860 631 R HN 0.754 nan 8.270 nan 0.000 0.438 632 I N -3.000 117.527 120.570 -0.072 0.000 3.035 632 I HA 0.074 4.144 4.170 -0.166 0.000 0.271 632 I C 1.464 177.554 176.117 -0.045 0.000 1.190 632 I CA 0.552 61.822 61.300 -0.050 0.000 1.472 632 I CB -0.047 37.940 38.000 -0.021 0.000 1.116 632 I HN -0.044 nan 8.210 nan 0.000 0.443 633 E N 2.115 122.273 120.200 -0.069 0.000 2.122 633 E HA -0.032 4.218 4.350 -0.166 0.000 0.190 633 E C 0.145 176.731 176.600 -0.024 0.000 0.977 633 E CA 0.325 56.704 56.400 -0.035 0.000 0.820 633 E CB -0.024 29.650 29.700 -0.044 0.000 0.770 633 E HN 0.476 nan 8.360 nan 0.000 0.462 634 K N 1.134 121.512 120.400 -0.036 0.000 3.653 634 K HA -0.140 4.080 4.320 -0.166 0.000 0.275 634 K C -2.483 174.108 176.600 -0.015 0.000 0.962 634 K CA 0.161 56.433 56.287 -0.025 0.000 0.773 634 K CB -1.255 31.235 32.500 -0.017 0.000 1.463 634 K HN 0.209 nan 8.250 nan 0.000 0.450 635 P HA -0.020 nan 4.420 nan 0.000 0.274 635 P C 0.469 177.763 177.300 -0.010 0.000 1.246 635 P CA -0.294 62.798 63.100 -0.012 0.000 0.795 635 P CB 0.922 32.605 31.700 -0.028 0.000 1.006 636 K N 0.022 120.423 120.400 0.001 0.000 2.057 636 K HA 0.035 4.256 4.320 -0.166 0.000 0.206 636 K C 0.858 177.440 176.600 -0.031 0.000 1.050 636 K CA 1.377 57.666 56.287 0.003 0.000 0.935 636 K CB -0.319 32.206 32.500 0.041 0.000 0.715 636 K HN 0.732 nan 8.250 nan 0.000 0.439 637 G N -1.026 107.737 108.800 -0.061 0.000 2.623 637 G HA2 0.469 4.330 3.960 -0.166 0.000 0.290 637 G HA3 0.469 4.330 3.960 -0.166 0.000 0.290 637 G C -1.908 172.935 174.900 -0.094 0.000 1.437 637 G CA -0.708 44.343 45.100 -0.083 0.000 0.798 637 G HN -0.058 nan 8.290 nan 0.000 0.488 638 V N 1.001 120.859 119.914 -0.093 0.000 2.524 638 V HA 0.412 4.432 4.120 -0.166 0.000 0.297 638 V C -0.284 175.745 176.094 -0.108 0.000 1.035 638 V CA -0.491 61.754 62.300 -0.092 0.000 0.867 638 V CB 1.509 33.291 31.823 -0.070 0.000 1.004 638 V HN 0.672 nan 8.190 nan 0.000 0.426 639 I N 5.181 125.669 120.570 -0.138 0.000 2.312 639 I HA 0.219 4.290 4.170 -0.166 0.000 0.291 639 I C 0.974 177.020 176.117 -0.118 0.000 1.031 639 I CA -0.137 61.056 61.300 -0.178 0.000 1.293 639 I CB 1.728 39.549 38.000 -0.298 0.000 1.403 639 I HN 0.639 nan 8.210 nan 0.000 0.484 640 V N 2.181 122.048 119.914 -0.079 0.000 3.528 640 V HA 0.136 4.157 4.120 -0.166 0.000 0.294 640 V C 1.115 177.217 176.094 0.013 0.000 1.404 640 V CA 0.212 62.492 62.300 -0.033 0.000 1.065 640 V CB 0.020 31.824 31.823 -0.031 0.000 0.904 640 V HN 0.753 nan 8.190 nan 0.000 0.435 641 Q N -0.783 119.040 119.800 0.039 0.000 2.360 641 Q HA 0.280 4.520 4.340 -0.166 0.000 0.202 641 Q C 1.216 177.440 176.000 0.374 0.000 0.915 641 Q CA 0.643 56.540 55.803 0.156 0.000 0.943 641 Q CB -0.046 28.786 28.738 0.156 0.000 1.064 641 Q HN 0.732 nan 8.270 nan 0.000 0.511 642 Y N -1.321 119.012 120.300 0.055 0.000 2.449 642 Y HA 0.378 4.828 4.550 -0.166 0.000 0.254 642 Y C 1.744 177.740 175.900 0.160 0.000 1.140 642 Y CA -0.224 57.944 58.100 0.114 0.000 1.272 642 Y CB 0.415 38.924 38.460 0.082 0.000 1.114 642 Y HN 0.084 nan 8.280 nan 0.000 0.525 643 G N -0.626 108.302 108.800 0.214 0.000 3.434 643 G HA2 0.437 4.297 3.960 -0.166 0.000 0.258 643 G HA3 0.437 4.297 3.960 -0.166 0.000 0.258 643 G C 0.890 175.701 174.900 -0.147 0.000 1.128 643 G CA 0.348 45.505 45.100 0.096 0.000 0.792 643 G HN 0.536 nan 8.290 nan 0.000 0.539 644 G N 0.198 108.834 108.800 -0.273 0.000 2.584 644 G HA2 -0.326 3.534 3.960 -0.166 0.000 0.229 644 G HA3 -0.326 3.534 3.960 -0.166 0.000 0.229 644 G C 0.876 175.566 174.900 -0.350 0.000 1.320 644 G CA 0.454 45.111 45.100 -0.739 0.000 0.891 644 G HN 0.464 nan 8.290 nan 0.000 0.573 645 Q N -0.906 118.676 119.800 -0.363 0.000 2.112 645 Q HA -0.181 4.059 4.340 -0.166 0.000 0.206 645 Q C 2.614 178.530 176.000 -0.141 0.000 0.987 645 Q CA 3.136 58.819 55.803 -0.200 0.000 0.858 645 Q CB -0.648 27.981 28.738 -0.182 0.000 0.905 645 Q HN 0.772 nan 8.270 nan 0.000 0.420 646 T N 1.693 116.159 114.554 -0.147 0.000 2.529 646 T HA -0.133 4.117 4.350 -0.166 0.000 0.261 646 T C -1.030 173.626 174.700 -0.073 0.000 1.110 646 T CA 1.985 64.027 62.100 -0.097 0.000 1.192 646 T CB -1.291 67.521 68.868 -0.092 0.000 0.864 646 T HN 0.436 nan 8.240 nan 0.000 0.407 647 P HA -0.022 nan 4.420 nan 0.000 0.215 647 P C 1.734 179.008 177.300 -0.043 0.000 1.153 647 P CA 0.749 63.822 63.100 -0.046 0.000 0.853 647 P CB -0.274 31.407 31.700 -0.032 0.000 0.788 648 L N 0.342 121.534 121.223 -0.052 0.000 1.991 648 L HA -0.215 4.026 4.340 -0.166 0.000 0.221 648 L C 2.226 179.072 176.870 -0.040 0.000 1.079 648 L CA 2.172 56.986 54.840 -0.043 0.000 0.778 648 L CB -1.093 40.934 42.059 -0.053 0.000 0.893 648 L HN -0.123 nan 8.230 nan 0.000 0.437 649 K N -0.861 119.510 120.400 -0.047 0.000 2.519 649 K HA -0.098 4.122 4.320 -0.166 0.000 0.196 649 K C 1.668 178.249 176.600 -0.032 0.000 1.041 649 K CA 0.744 57.007 56.287 -0.039 0.000 0.954 649 K CB -0.158 32.316 32.500 -0.043 0.000 0.774 649 K HN 0.393 nan 8.250 nan 0.000 0.480 650 L N -0.676 120.528 121.223 -0.031 0.000 2.513 650 L HA 0.126 4.366 4.340 -0.166 0.000 0.222 650 L C 2.299 179.155 176.870 -0.024 0.000 1.096 650 L CA -0.020 54.804 54.840 -0.026 0.000 0.857 650 L CB -0.321 41.722 42.059 -0.026 0.000 1.026 650 L HN 0.065 nan 8.230 nan 0.000 0.469 651 A N 1.414 124.219 122.820 -0.025 0.000 1.863 651 A HA -0.316 3.905 4.320 -0.166 0.000 0.218 651 A C 2.337 179.909 177.584 -0.019 0.000 1.233 651 A CA 2.286 54.310 52.037 -0.023 0.000 0.655 651 A CB -0.670 18.317 19.000 -0.021 0.000 0.839 651 A HN 0.338 nan 8.150 nan 0.000 0.454 652 R N -0.978 119.512 120.500 -0.018 0.000 2.171 652 R HA -0.242 3.998 4.340 -0.166 0.000 0.232 652 R C 2.521 178.812 176.300 -0.014 0.000 1.116 652 R CA 1.768 57.859 56.100 -0.015 0.000 0.901 652 R CB -0.970 29.322 30.300 -0.014 0.000 0.850 652 R HN 0.580 nan 8.270 nan 0.000 0.431 653 A N 1.206 124.018 122.820 -0.013 0.000 1.940 653 A HA -0.218 4.002 4.320 -0.166 0.000 0.221 653 A C 2.312 179.890 177.584 -0.012 0.000 1.190 653 A CA 1.724 53.755 52.037 -0.011 0.000 0.647 653 A CB -0.789 18.205 19.000 -0.010 0.000 0.821 653 A HN 0.278 nan 8.150 nan 0.000 0.457 654 L N -1.284 119.930 121.223 -0.015 0.000 1.994 654 L HA -0.233 4.007 4.340 -0.166 0.000 0.208 654 L C 2.695 179.554 176.870 -0.017 0.000 1.071 654 L CA 1.999 56.829 54.840 -0.018 0.000 0.745 654 L CB -0.569 41.475 42.059 -0.024 0.000 0.892 654 L HN 0.648 nan 8.230 nan 0.000 0.431 655 E N 0.398 120.588 120.200 -0.017 0.000 2.038 655 E HA -0.276 3.974 4.350 -0.166 0.000 0.195 655 E C 2.162 178.755 176.600 -0.011 0.000 1.000 655 E CA 1.486 57.877 56.400 -0.015 0.000 0.803 655 E CB -0.109 29.583 29.700 -0.014 0.000 0.750 655 E HN 0.422 nan 8.360 nan 0.000 0.448 656 A N 0.684 123.498 122.820 -0.010 0.000 2.024 656 A HA -0.101 4.119 4.320 -0.166 0.000 0.220 656 A C 2.236 179.817 177.584 -0.006 0.000 1.164 656 A CA 1.750 53.782 52.037 -0.007 0.000 0.643 656 A CB -0.658 18.338 19.000 -0.007 0.000 0.806 656 A HN 0.418 nan 8.150 nan 0.000 0.451 657 A N -1.999 120.817 122.820 -0.007 0.000 2.251 657 A HA 0.435 4.656 4.320 -0.166 0.000 0.209 657 A C 1.651 179.231 177.584 -0.007 0.000 1.187 657 A CA 1.078 53.112 52.037 -0.005 0.000 0.823 657 A CB -0.852 18.146 19.000 -0.003 0.000 0.846 657 A HN 1.884 nan 8.150 nan 0.000 0.486 658 G N -1.358 107.437 108.800 -0.009 0.000 2.132 658 G HA2 -0.181 3.679 3.960 -0.166 0.000 0.234 658 G HA3 -0.181 3.679 3.960 -0.166 0.000 0.234 658 G C 0.136 175.026 174.900 -0.016 0.000 0.989 658 G CA 0.055 45.149 45.100 -0.011 0.000 0.676 658 G HN 0.695 nan 8.290 nan 0.000 0.522 659 V N 1.847 121.750 119.914 -0.019 0.000 2.614 659 V HA 0.373 4.393 4.120 -0.166 0.000 0.291 659 V C -1.264 174.814 176.094 -0.027 0.000 1.049 659 V CA -0.847 61.438 62.300 -0.026 0.000 1.038 659 V CB 1.393 33.199 31.823 -0.029 0.000 0.980 659 V HN 0.167 nan 8.190 nan 0.000 0.481 660 P HA 0.152 nan 4.420 nan 0.000 0.237 660 P C -0.371 176.903 177.300 -0.042 0.000 1.788 660 P CA -0.123 62.958 63.100 -0.032 0.000 1.061 660 P CB -0.055 31.626 31.700 -0.031 0.000 1.967 661 V N 4.855 124.746 119.914 -0.039 0.000 2.421 661 V HA 0.018 4.038 4.120 -0.166 0.000 0.271 661 V C 1.273 177.338 176.094 -0.048 0.000 1.031 661 V CA -0.043 62.229 62.300 -0.045 0.000 1.032 661 V CB -0.610 31.192 31.823 -0.035 0.000 1.009 661 V HN 0.326 nan 8.190 nan 0.000 0.477 662 I N 2.554 123.083 120.570 -0.069 0.000 3.062 662 I HA 1.001 5.071 4.170 -0.166 0.000 0.318 662 I C 0.751 176.826 176.117 -0.069 0.000 1.026 662 I CA -0.191 61.066 61.300 -0.071 0.000 1.096 662 I CB 1.113 39.053 38.000 -0.099 0.000 1.348 662 I HN 0.819 nan 8.210 nan 0.000 0.543 663 G N 1.870 110.637 108.800 -0.055 0.000 2.782 663 G HA2 -0.178 3.682 3.960 -0.166 0.000 0.228 663 G HA3 -0.178 3.682 3.960 -0.166 0.000 0.228 663 G C -0.142 174.750 174.900 -0.013 0.000 1.372 663 G CA -0.396 44.682 45.100 -0.037 0.000 0.862 663 G HN 1.010 nan 8.290 nan 0.000 0.547 664 T N 0.785 115.341 114.554 0.004 0.000 2.781 664 T HA 0.326 4.576 4.350 -0.166 0.000 0.270 664 T C 1.436 176.138 174.700 0.003 0.000 1.022 664 T CA 1.177 63.284 62.100 0.011 0.000 1.144 664 T CB 0.178 69.058 68.868 0.020 0.000 1.039 664 T HN 1.988 nan 8.240 nan 0.000 0.494 665 S N 4.376 120.079 115.700 0.006 0.000 2.584 665 S HA 0.176 4.546 4.470 -0.166 0.000 0.270 665 S C -1.532 173.068 174.600 -0.001 0.000 1.346 665 S CA -1.333 56.868 58.200 0.001 0.000 1.018 665 S CB 0.817 64.019 63.200 0.005 0.000 0.899 665 S HN 0.359 nan 8.310 nan 0.000 0.542 666 P HA -0.040 nan 4.420 nan 0.000 0.218 666 P C 0.844 178.140 177.300 -0.006 0.000 1.149 666 P CA 1.283 64.378 63.100 -0.009 0.000 0.817 666 P CB -0.045 31.648 31.700 -0.012 0.000 0.785 667 D N -0.509 119.889 120.400 -0.002 0.000 2.123 667 D HA -0.088 4.452 4.640 -0.166 0.000 0.200 667 D C 1.958 178.261 176.300 0.004 0.000 0.976 667 D CA 1.198 55.198 54.000 -0.000 0.000 0.831 667 D CB -0.592 40.210 40.800 0.003 0.000 0.974 667 D HN -0.076 nan 8.370 nan 0.000 0.469 668 A N 0.413 123.238 122.820 0.009 0.000 1.873 668 A HA -0.190 4.031 4.320 -0.166 0.000 0.218 668 A C 2.383 179.972 177.584 0.009 0.000 1.193 668 A CA 1.715 53.762 52.037 0.017 0.000 0.629 668 A CB -1.082 17.930 19.000 0.021 0.000 0.826 668 A HN 0.377 nan 8.150 nan 0.000 0.447 669 I N -0.288 120.282 120.570 -0.000 0.000 2.151 669 I HA -0.319 3.751 4.170 -0.166 0.000 0.243 669 I C 2.195 178.301 176.117 -0.019 0.000 1.080 669 I CA 2.047 63.340 61.300 -0.012 0.000 1.339 669 I CB -0.484 37.508 38.000 -0.012 0.000 1.039 669 I HN 0.316 nan 8.210 nan 0.000 0.409 670 D N 0.227 120.620 120.400 -0.013 0.000 2.182 670 D HA -0.166 4.374 4.640 -0.166 0.000 0.201 670 D C 2.356 178.653 176.300 -0.005 0.000 0.986 670 D CA 0.998 54.990 54.000 -0.014 0.000 0.847 670 D CB 0.025 40.818 40.800 -0.012 0.000 0.942 670 D HN 0.107 nan 8.370 nan 0.000 0.467 671 R N -0.211 120.294 120.500 0.010 0.000 2.073 671 R HA -0.070 4.170 4.340 -0.166 0.000 0.234 671 R C 2.086 178.424 176.300 0.064 0.000 1.134 671 R CA 1.317 57.440 56.100 0.039 0.000 0.952 671 R CB -0.377 29.955 30.300 0.054 0.000 0.850 671 R HN 0.178 nan 8.270 nan 0.000 0.433 672 A N 0.828 123.653 122.820 0.009 0.000 2.016 672 A HA -0.066 4.154 4.320 -0.166 0.000 0.217 672 A C 1.812 179.260 177.584 -0.226 0.000 1.162 672 A CA 0.799 52.776 52.037 -0.100 0.000 0.662 672 A CB 0.004 18.928 19.000 -0.127 0.000 0.812 672 A HN 0.202 nan 8.150 nan 0.000 0.450 673 E N 0.488 120.618 120.200 -0.118 0.000 2.122 673 E HA -0.074 4.176 4.350 -0.166 0.000 0.190 673 E C 0.009 176.566 176.600 -0.072 0.000 0.977 673 E CA 0.167 56.496 56.400 -0.118 0.000 0.820 673 E CB -0.321 29.332 29.700 -0.078 0.000 0.770 673 E HN 0.520 nan 8.360 nan 0.000 0.462 674 D N 2.441 122.829 120.400 -0.020 0.000 2.356 674 D HA -0.065 4.476 4.640 -0.166 0.000 0.272 674 D C 1.335 177.689 176.300 0.091 0.000 1.337 674 D CA -0.051 53.961 54.000 0.020 0.000 0.970 674 D CB 0.450 41.253 40.800 0.006 0.000 1.092 674 D HN 0.049 nan 8.370 nan 0.000 0.516 675 R N 3.460 124.012 120.500 0.088 0.000 2.198 675 R HA -0.238 4.003 4.340 -0.166 0.000 0.258 675 R C 1.410 177.833 176.300 0.205 0.000 1.173 675 R CA 1.200 57.397 56.100 0.162 0.000 0.991 675 R CB -0.397 29.965 30.300 0.104 0.000 0.879 675 R HN 0.540 nan 8.270 nan 0.000 0.460 676 E N 0.288 120.566 120.200 0.130 0.000 2.099 676 E HA 0.040 4.291 4.350 -0.166 0.000 0.191 676 E C 2.233 178.847 176.600 0.023 0.000 0.962 676 E CA -0.243 56.230 56.400 0.121 0.000 0.826 676 E CB 0.221 29.952 29.700 0.052 0.000 0.788 676 E HN 0.203 nan 8.360 nan 0.000 0.461 677 R N 0.230 120.695 120.500 -0.058 0.000 2.096 677 R HA -0.189 4.051 4.340 -0.166 0.000 0.240 677 R C 2.321 178.671 176.300 0.084 0.000 1.139 677 R CA 1.445 57.483 56.100 -0.103 0.000 0.952 677 R CB -0.614 29.668 30.300 -0.029 0.000 0.854 677 R HN 0.217 nan 8.270 nan 0.000 0.436 678 F N 2.001 121.953 119.950 0.004 0.000 2.051 678 F HA -0.222 4.206 4.527 -0.164 0.000 0.296 678 F C 2.664 178.516 175.800 0.086 0.000 1.122 678 F CA 1.816 59.838 58.000 0.037 0.000 1.201 678 F CB -0.834 38.178 39.000 0.021 0.000 0.978 678 F HN 0.024 nan 8.300 nan 0.000 0.472 679 Q N -0.821 118.986 119.800 0.012 0.000 2.173 679 Q HA -0.311 3.929 4.340 -0.166 0.000 0.208 679 Q C 2.085 178.050 176.000 -0.059 0.000 0.989 679 Q CA 2.298 58.035 55.803 -0.110 0.000 0.872 679 Q CB -0.378 28.393 28.738 0.056 0.000 0.909 679 Q HN 0.579 nan 8.270 nan 0.000 0.420 680 H N -0.625 118.388 119.070 -0.095 0.000 2.353 680 H HA -0.021 4.435 4.556 -0.167 0.000 0.300 680 H C 1.822 177.102 175.328 -0.080 0.000 1.090 680 H CA 1.666 57.677 56.048 -0.062 0.000 1.327 680 H CB -0.272 29.482 29.762 -0.014 0.000 1.383 680 H HN 0.439 nan 8.280 nan 0.000 0.508 681 A N 0.155 123.003 122.820 0.047 0.000 1.970 681 A HA -0.029 4.191 4.320 -0.166 0.000 0.216 681 A C 2.516 180.043 177.584 -0.095 0.000 1.170 681 A CA 1.057 53.095 52.037 0.002 0.000 0.645 681 A CB -0.508 18.526 19.000 0.056 0.000 0.816 681 A HN 0.232 nan 8.150 nan 0.000 0.447 682 V N 0.251 120.004 119.914 -0.268 0.000 2.343 682 V HA -0.267 3.754 4.120 -0.166 0.000 0.247 682 V C 2.331 178.328 176.094 -0.161 0.000 1.051 682 V CA 2.155 64.274 62.300 -0.303 0.000 1.036 682 V CB -0.892 30.608 31.823 -0.539 0.000 0.654 682 V HN 0.600 nan 8.190 nan 0.000 0.451 683 E N 0.206 120.317 120.200 -0.148 0.000 2.026 683 E HA -0.345 3.905 4.350 -0.166 0.000 0.206 683 E C 2.319 178.878 176.600 -0.068 0.000 1.028 683 E CA 1.973 58.310 56.400 -0.105 0.000 0.845 683 E CB -0.316 29.313 29.700 -0.119 0.000 0.772 683 E HN 0.400 nan 8.360 nan 0.000 0.462 684 R N 0.903 121.377 120.500 -0.044 0.000 2.189 684 R HA -0.220 4.020 4.340 -0.166 0.000 0.252 684 R C 2.218 178.510 176.300 -0.014 0.000 1.134 684 R CA 1.808 57.899 56.100 -0.016 0.000 0.954 684 R CB -0.609 29.697 30.300 0.011 0.000 0.890 684 R HN 0.204 nan 8.270 nan 0.000 0.443 685 L N 0.144 121.357 121.223 -0.016 0.000 2.551 685 L HA 0.006 4.247 4.340 -0.166 0.000 0.228 685 L C 0.281 177.142 176.870 -0.015 0.000 1.153 685 L CA 0.678 55.516 54.840 -0.003 0.000 0.851 685 L CB -0.256 41.809 42.059 0.010 0.000 0.959 685 L HN 0.332 nan 8.230 nan 0.000 0.451 686 K N 0.743 121.122 120.400 -0.035 0.000 3.585 686 K HA -0.144 4.076 4.320 -0.166 0.000 0.275 686 K C -0.713 175.860 176.600 -0.045 0.000 1.026 686 K CA 0.342 56.604 56.287 -0.042 0.000 0.800 686 K CB -1.158 31.323 32.500 -0.032 0.000 1.401 686 K HN 0.227 nan 8.250 nan 0.000 0.453 687 L N -0.450 120.739 121.223 -0.057 0.000 2.216 687 L HA 0.518 4.759 4.340 -0.166 0.000 0.260 687 L C 0.063 176.882 176.870 -0.085 0.000 1.036 687 L CA -1.275 53.532 54.840 -0.055 0.000 0.914 687 L CB 1.396 43.446 42.059 -0.016 0.000 1.501 687 L HN 0.004 nan 8.230 nan 0.000 0.485 688 K N 1.146 121.488 120.400 -0.097 0.000 2.316 688 K HA 0.327 4.547 4.320 -0.166 0.000 0.267 688 K C -1.047 175.531 176.600 -0.037 0.000 1.025 688 K CA -0.234 55.957 56.287 -0.160 0.000 0.896 688 K CB 1.347 33.594 32.500 -0.423 0.000 1.124 688 K HN 0.375 nan 8.250 nan 0.000 0.451 689 Q N 3.784 123.595 119.800 0.019 0.000 2.387 689 Q HA 0.498 4.739 4.340 -0.166 0.000 0.273 689 Q C -2.416 173.698 176.000 0.191 0.000 1.089 689 Q CA -2.363 53.503 55.803 0.104 0.000 0.824 689 Q CB 1.684 30.422 28.738 -0.001 0.000 1.367 689 Q HN 0.332 nan 8.270 nan 0.000 0.443 690 P HA 0.173 nan 4.420 nan 0.000 0.278 690 P C -1.366 176.013 177.300 0.131 0.000 1.238 690 P CA -0.265 62.958 63.100 0.205 0.000 0.794 690 P CB 0.725 32.500 31.700 0.124 0.000 0.955 691 A N 3.071 125.965 122.820 0.123 0.000 2.565 691 A HA 0.233 4.453 4.320 -0.166 0.000 0.237 691 A C 0.418 178.041 177.584 0.065 0.000 1.053 691 A CA 0.365 52.442 52.037 0.066 0.000 0.755 691 A CB -1.074 17.941 19.000 0.025 0.000 0.980 691 A HN 0.785 nan 8.150 nan 0.000 0.506 692 N N -0.036 118.689 118.700 0.042 0.000 2.647 692 N HA 0.827 5.467 4.740 -0.166 0.000 0.266 692 N C -0.890 174.637 175.510 0.027 0.000 1.373 692 N CA -0.291 52.783 53.050 0.040 0.000 0.807 692 N CB 2.004 40.525 38.487 0.056 0.000 1.513 692 N HN 0.965 nan 8.380 nan 0.000 0.505 693 A N -0.350 122.488 122.820 0.030 0.000 2.604 693 A HA 0.711 4.932 4.320 -0.166 0.000 0.295 693 A C -1.494 176.115 177.584 0.042 0.000 1.067 693 A CA -0.769 51.285 52.037 0.030 0.000 0.683 693 A CB 1.479 20.490 19.000 0.018 0.000 1.281 693 A HN 0.601 nan 8.150 nan 0.000 0.407 694 T N 1.610 116.191 114.554 0.046 0.000 3.154 694 T HA 0.473 4.723 4.350 -0.166 0.000 0.381 694 T C -0.169 174.566 174.700 0.057 0.000 1.368 694 T CA -0.216 61.917 62.100 0.055 0.000 1.155 694 T CB 0.377 69.278 68.868 0.055 0.000 1.120 694 T HN 0.549 nan 8.240 nan 0.000 0.570 695 V N 2.651 122.610 119.914 0.075 0.000 3.083 695 V HA 0.355 4.375 4.120 -0.166 0.000 0.306 695 V C 1.188 177.334 176.094 0.087 0.000 1.077 695 V CA 0.033 62.380 62.300 0.078 0.000 1.073 695 V CB 1.700 33.585 31.823 0.104 0.000 1.081 695 V HN 0.923 nan 8.190 nan 0.000 0.474 696 T N 0.287 114.877 114.554 0.061 0.000 3.057 696 T HA 0.370 4.621 4.350 -0.166 0.000 0.254 696 T C 0.245 174.967 174.700 0.038 0.000 0.965 696 T CA 0.592 62.728 62.100 0.059 0.000 0.978 696 T CB 0.590 69.480 68.868 0.037 0.000 1.169 696 T HN 0.767 nan 8.240 nan 0.000 0.489 697 A N 0.827 123.639 122.820 -0.014 0.000 2.337 697 A HA 0.701 4.921 4.320 -0.166 0.000 0.329 697 A C 0.872 178.320 177.584 -0.225 0.000 1.146 697 A CA -0.589 51.396 52.037 -0.087 0.000 0.800 697 A CB 0.438 19.399 19.000 -0.064 0.000 1.220 697 A HN 0.127 nan 8.150 nan 0.000 0.472 698 I N 1.400 121.725 120.570 -0.407 0.000 2.053 698 I HA -0.268 3.803 4.170 -0.166 0.000 0.236 698 I C 2.219 178.094 176.117 -0.403 0.000 1.038 698 I CA 1.850 62.696 61.300 -0.758 0.000 1.304 698 I CB -0.572 37.070 38.000 -0.597 0.000 1.023 698 I HN 0.708 nan 8.210 nan 0.000 0.395 699 E N 0.191 120.260 120.200 -0.219 0.000 2.147 699 E HA -0.309 3.941 4.350 -0.166 0.000 0.199 699 E C 2.167 178.722 176.600 -0.075 0.000 1.005 699 E CA 1.766 58.099 56.400 -0.111 0.000 0.810 699 E CB -0.738 28.918 29.700 -0.072 0.000 0.736 699 E HN 0.629 nan 8.360 nan 0.000 0.460 700 M N 0.074 119.624 119.600 -0.083 0.000 2.213 700 M HA -0.106 4.274 4.480 -0.166 0.000 0.263 700 M C 2.067 178.352 176.300 -0.024 0.000 1.062 700 M CA 1.733 57.008 55.300 -0.043 0.000 1.105 700 M CB 0.019 32.597 32.600 -0.036 0.000 1.385 700 M HN 0.080 nan 8.290 nan 0.000 0.417 701 A N -0.126 122.665 122.820 -0.048 0.000 1.855 701 A HA -0.052 4.168 4.320 -0.166 0.000 0.213 701 A C 1.958 179.576 177.584 0.058 0.000 1.195 701 A CA 1.455 53.509 52.037 0.028 0.000 0.610 701 A CB -1.089 17.956 19.000 0.074 0.000 0.837 701 A HN 0.378 nan 8.150 nan 0.000 0.444 702 V N 0.566 120.508 119.914 0.046 0.000 2.546 702 V HA -0.290 3.730 4.120 -0.166 0.000 0.254 702 V C 2.486 178.635 176.094 0.092 0.000 1.076 702 V CA 2.565 64.933 62.300 0.112 0.000 1.087 702 V CB -0.860 31.011 31.823 0.081 0.000 0.674 702 V HN 0.775 nan 8.190 nan 0.000 0.470 703 E N 0.503 120.728 120.200 0.043 0.000 2.021 703 E HA -0.156 4.094 4.350 -0.166 0.000 0.189 703 E C 2.180 178.795 176.600 0.025 0.000 0.980 703 E CA 0.965 57.385 56.400 0.033 0.000 0.803 703 E CB -0.245 29.463 29.700 0.014 0.000 0.766 703 E HN 0.199 nan 8.360 nan 0.000 0.449 704 K N 0.698 121.106 120.400 0.014 0.000 2.113 704 K HA -0.074 4.146 4.320 -0.166 0.000 0.208 704 K C 1.884 178.469 176.600 -0.025 0.000 1.047 704 K CA 1.319 57.606 56.287 0.001 0.000 0.928 704 K CB -1.014 31.491 32.500 0.009 0.000 0.716 704 K HN 0.283 nan 8.250 nan 0.000 0.446 705 A N 0.786 123.589 122.820 -0.028 0.000 1.873 705 A HA -0.275 3.946 4.320 -0.166 0.000 0.218 705 A C 2.098 179.608 177.584 -0.124 0.000 1.193 705 A CA 2.353 54.304 52.037 -0.144 0.000 0.629 705 A CB -0.529 18.437 19.000 -0.057 0.000 0.826 705 A HN 0.280 nan 8.150 nan 0.000 0.447 706 K N -0.258 120.162 120.400 0.034 0.000 2.152 706 K HA -0.142 4.078 4.320 -0.166 0.000 0.206 706 K C 1.989 178.599 176.600 0.016 0.000 1.048 706 K CA 1.653 57.989 56.287 0.082 0.000 0.933 706 K CB -0.146 32.406 32.500 0.086 0.000 0.721 706 K HN 0.711 nan 8.250 nan 0.000 0.447 707 E N 0.178 120.371 120.200 -0.011 0.000 1.998 707 E HA -0.170 4.080 4.350 -0.166 0.000 0.196 707 E C 1.928 178.494 176.600 -0.057 0.000 1.003 707 E CA 1.467 57.852 56.400 -0.025 0.000 0.829 707 E CB -0.134 29.553 29.700 -0.021 0.000 0.777 707 E HN 0.148 nan 8.360 nan 0.000 0.460 708 I N 0.317 120.843 120.570 -0.073 0.000 2.074 708 I HA -0.249 3.821 4.170 -0.166 0.000 0.238 708 I C 1.144 177.163 176.117 -0.163 0.000 1.037 708 I CA 1.378 62.621 61.300 -0.095 0.000 1.301 708 I CB -0.806 37.151 38.000 -0.072 0.000 1.016 708 I HN 0.396 nan 8.210 nan 0.000 0.400 709 G N -0.397 108.301 108.800 -0.170 0.000 3.355 709 G HA2 -0.155 3.706 3.960 -0.166 0.000 0.686 709 G HA3 -0.155 3.706 3.960 -0.166 0.000 0.686 709 G C -0.620 174.290 174.900 0.017 0.000 1.097 709 G CA -0.953 44.078 45.100 -0.115 0.000 0.881 709 G HN 0.137 nan 8.290 nan 0.000 0.550 710 Y N 2.334 122.712 120.300 0.130 0.000 2.459 710 Y HA 0.365 4.814 4.550 -0.168 0.000 0.349 710 Y C -0.705 175.323 175.900 0.213 0.000 1.266 710 Y CA -0.340 57.839 58.100 0.133 0.000 1.483 710 Y CB 0.116 38.624 38.460 0.081 0.000 1.362 710 Y HN 0.527 nan 8.280 nan 0.000 0.628 711 P HA 0.276 nan 4.420 nan 0.000 0.275 711 P C -1.279 175.993 177.300 -0.047 0.000 1.266 711 P CA -0.275 62.818 63.100 -0.011 0.000 0.793 711 P CB 0.868 32.248 31.700 -0.534 0.000 1.074 712 L N -0.435 120.705 121.223 -0.139 0.000 2.388 712 L HA 0.376 4.617 4.340 -0.166 0.000 0.264 712 L C -0.672 176.084 176.870 -0.190 0.000 0.998 712 L CA -0.771 53.979 54.840 -0.150 0.000 0.817 712 L CB 2.365 44.294 42.059 -0.215 0.000 1.338 712 L HN -0.003 nan 8.230 nan 0.000 0.414 713 V N 3.964 123.802 119.914 -0.126 0.000 2.334 713 V HA 0.314 4.334 4.120 -0.166 0.000 0.267 713 V C -0.501 175.503 176.094 -0.150 0.000 1.040 713 V CA -0.557 61.661 62.300 -0.138 0.000 0.866 713 V CB 1.499 33.302 31.823 -0.035 0.000 1.019 713 V HN 0.443 nan 8.190 nan 0.000 0.468 714 V N 6.486 126.249 119.914 -0.252 0.000 2.348 714 V HA 0.456 4.476 4.120 -0.166 0.000 0.270 714 V C 0.309 176.295 176.094 -0.180 0.000 1.037 714 V CA -0.682 61.453 62.300 -0.275 0.000 0.872 714 V CB 0.734 32.222 31.823 -0.557 0.000 1.002 714 V HN 0.724 nan 8.190 nan 0.000 0.464 715 R N 5.197 125.650 120.500 -0.077 0.000 2.246 715 R HA 0.502 4.742 4.340 -0.166 0.000 0.332 715 R C -2.053 174.253 176.300 0.010 0.000 0.974 715 R CA -1.129 54.956 56.100 -0.024 0.000 0.837 715 R CB 1.810 32.109 30.300 -0.002 0.000 1.145 715 R HN 0.619 nan 8.270 nan 0.000 0.467 716 P HA 0.177 nan 4.420 nan 0.000 0.270 716 P C -0.256 177.064 177.300 0.033 0.000 1.223 716 P CA 0.214 63.342 63.100 0.046 0.000 0.785 716 P CB 0.767 32.496 31.700 0.048 0.000 0.923 725 M N 1.410 121.012 119.600 0.003 0.000 2.457 725 M HA 0.619 4.999 4.480 -0.166 0.000 0.300 725 M C -0.569 175.697 176.300 -0.057 0.000 1.141 725 M CA -0.297 54.984 55.300 -0.032 0.000 0.901 725 M CB 2.495 35.081 32.600 -0.024 0.000 1.687 725 M HN 0.968 nan 8.290 nan 0.000 0.449 726 E N 2.324 122.431 120.200 -0.156 0.000 2.429 726 E HA 0.692 4.942 4.350 -0.166 0.000 0.276 726 E C -1.923 174.509 176.600 -0.279 0.000 0.953 726 E CA -0.611 55.676 56.400 -0.190 0.000 0.787 726 E CB 2.240 31.854 29.700 -0.144 0.000 1.307 726 E HN 0.635 nan 8.360 nan 0.000 0.458 727 I N 2.649 123.074 120.570 -0.241 0.000 2.418 727 I HA 0.343 4.413 4.170 -0.166 0.000 0.287 727 I C -1.021 175.001 176.117 -0.159 0.000 1.008 727 I CA -0.923 60.181 61.300 -0.327 0.000 1.104 727 I CB 1.846 39.505 38.000 -0.569 0.000 1.264 727 I HN 0.313 nan 8.210 nan 0.000 0.438 728 V N 6.416 126.225 119.914 -0.175 0.000 2.472 728 V HA 0.244 4.264 4.120 -0.166 0.000 0.290 728 V C -0.166 175.985 176.094 0.094 0.000 1.037 728 V CA -0.362 61.971 62.300 0.056 0.000 0.908 728 V CB 1.296 33.151 31.823 0.053 0.000 0.985 728 V HN 0.595 nan 8.190 nan 0.000 0.454 729 Y N 1.287 121.660 120.300 0.121 0.000 2.524 729 Y HA 0.229 4.677 4.550 -0.171 0.000 0.270 729 Y C 0.724 176.572 175.900 -0.086 0.000 1.094 729 Y CA -0.397 57.778 58.100 0.125 0.000 1.276 729 Y CB 0.365 38.843 38.460 0.031 0.000 1.130 729 Y HN 0.900 nan 8.280 nan 0.000 0.536 730 D N -2.578 117.729 120.400 -0.155 0.000 2.643 730 D HA 0.116 4.656 4.640 -0.166 0.000 0.283 730 D C 0.603 176.619 176.300 -0.474 0.000 1.242 730 D CA -0.705 52.823 54.000 -0.787 0.000 0.863 730 D CB 0.428 41.011 40.800 -0.362 0.000 1.382 730 D HN -0.077 nan 8.370 nan 0.000 0.444 731 E N -0.126 119.785 120.200 -0.482 0.000 2.068 731 E HA -0.341 3.909 4.350 -0.166 0.000 0.207 731 E C 1.932 178.564 176.600 0.054 0.000 1.032 731 E CA 2.216 58.589 56.400 -0.045 0.000 0.839 731 E CB -0.319 29.359 29.700 -0.036 0.000 0.758 731 E HN 0.516 nan 8.360 nan 0.000 0.457 732 A N 1.261 124.081 122.820 0.000 0.000 1.852 732 A HA -0.326 3.895 4.320 -0.166 0.000 0.217 732 A C 1.932 179.570 177.584 0.091 0.000 1.215 732 A CA 2.416 54.476 52.037 0.038 0.000 0.641 732 A CB -1.237 17.766 19.000 0.005 0.000 0.838 732 A HN 0.375 nan 8.150 nan 0.000 0.450 733 D N -0.614 119.833 120.400 0.078 0.000 2.191 733 D HA -0.206 4.334 4.640 -0.166 0.000 0.190 733 D C 1.813 178.238 176.300 0.208 0.000 1.007 733 D CA 1.472 55.550 54.000 0.130 0.000 0.865 733 D CB -0.294 40.593 40.800 0.144 0.000 0.929 733 D HN 0.377 nan 8.370 nan 0.000 0.447 734 L N 0.215 121.595 121.223 0.261 0.000 1.971 734 L HA -0.273 3.967 4.340 -0.166 0.000 0.215 734 L C 2.517 179.706 176.870 0.532 0.000 1.072 734 L CA 1.750 56.821 54.840 0.386 0.000 0.758 734 L CB -0.216 42.127 42.059 0.473 0.000 0.889 734 L HN 0.165 nan 8.230 nan 0.000 0.433 735 R N -0.879 119.864 120.500 0.405 0.000 2.075 735 R HA -0.205 4.036 4.340 -0.166 0.000 0.230 735 R C 2.272 178.764 176.300 0.321 0.000 1.140 735 R CA 1.111 57.439 56.100 0.381 0.000 0.928 735 R CB -0.840 29.572 30.300 0.188 0.000 0.834 735 R HN 0.311 nan 8.270 nan 0.000 0.429 736 R N 0.632 121.256 120.500 0.207 0.000 2.234 736 R HA -0.296 3.945 4.340 -0.166 0.000 0.262 736 R C 2.165 178.555 176.300 0.151 0.000 1.150 736 R CA 2.401 58.587 56.100 0.144 0.000 0.981 736 R CB -0.567 29.802 30.300 0.114 0.000 0.899 736 R HN 0.436 nan 8.270 nan 0.000 0.458 737 Y N -0.299 120.032 120.300 0.052 0.000 2.220 737 Y HA -0.160 4.281 4.550 -0.183 0.000 0.291 737 Y C 1.923 177.764 175.900 -0.098 0.000 1.129 737 Y CA 1.497 59.562 58.100 -0.058 0.000 1.161 737 Y CB -0.490 37.872 38.460 -0.163 0.000 0.997 737 Y HN -0.030 nan 8.280 nan 0.000 0.522 738 F N 1.375 121.379 119.950 0.089 0.000 2.065 738 F HA -0.323 4.111 4.527 -0.154 0.000 0.298 738 F C 2.696 178.414 175.800 -0.137 0.000 1.112 738 F CA 2.221 60.207 58.000 -0.023 0.000 1.212 738 F CB -1.254 37.804 39.000 0.097 0.000 0.975 738 F HN 0.216 nan 8.300 nan 0.000 0.476 739 Q N 0.315 120.183 119.800 0.113 0.000 1.817 739 Q HA -0.362 3.878 4.340 -0.166 0.000 0.290 739 Q C 2.138 178.097 176.000 -0.069 0.000 1.048 739 Q CA 3.654 59.472 55.803 0.025 0.000 0.889 739 Q CB -0.850 27.902 28.738 0.023 0.000 0.991 739 Q HN 0.485 nan 8.270 nan 0.000 0.416 740 T N -0.844 113.636 114.554 -0.123 0.000 2.836 740 T HA -0.141 4.110 4.350 -0.166 0.000 0.268 740 T C 0.977 175.520 174.700 -0.262 0.000 1.080 740 T CA 0.794 62.794 62.100 -0.167 0.000 1.128 740 T CB -1.009 67.763 68.868 -0.159 0.000 0.839 740 T HN 0.628 nan 8.240 nan 0.000 0.507 751 L N 5.647 126.901 121.223 0.051 0.000 2.287 751 L HA 0.643 4.883 4.340 -0.166 0.000 0.287 751 L C -0.769 176.111 176.870 0.017 0.000 1.022 751 L CA -0.362 54.502 54.840 0.040 0.000 0.814 751 L CB 1.466 43.548 42.059 0.039 0.000 1.217 751 L HN 0.401 nan 8.230 nan 0.000 0.420 752 L N 3.490 124.726 121.223 0.023 0.000 2.309 752 L HA 0.551 4.792 4.340 -0.166 0.000 0.282 752 L C -0.706 176.167 176.870 0.005 0.000 1.036 752 L CA -0.269 54.569 54.840 -0.004 0.000 0.806 752 L CB 1.399 43.456 42.059 -0.002 0.000 1.220 752 L HN 0.497 nan 8.230 nan 0.000 0.429 753 D N -0.705 119.692 120.400 -0.006 0.000 2.756 753 D HA 0.251 4.791 4.640 -0.166 0.000 0.226 753 D C -0.975 175.343 176.300 0.031 0.000 1.186 753 D CA -0.464 53.552 54.000 0.027 0.000 0.845 753 D CB 1.200 42.023 40.800 0.039 0.000 1.610 753 D HN 0.418 nan 8.370 nan 0.000 0.465 754 H N 1.208 120.259 119.070 -0.032 0.000 2.899 754 H HA 0.229 4.687 4.556 -0.164 0.000 0.303 754 H C -0.924 174.392 175.328 -0.021 0.000 1.042 754 H CA -0.273 55.746 56.048 -0.048 0.000 1.479 754 H CB 0.107 29.831 29.762 -0.063 0.000 1.493 754 H HN 0.239 nan 8.280 nan 0.000 0.534 755 F N 6.624 126.119 119.950 -0.758 0.000 2.466 755 F HA 0.184 4.615 4.527 -0.160 0.000 0.363 755 F C -0.634 174.709 175.800 -0.761 0.000 1.109 755 F CA -0.715 56.920 58.000 -0.609 0.000 1.161 755 F CB 0.103 38.845 39.000 -0.431 0.000 1.117 755 F HN 0.574 nan 8.300 nan 0.000 0.539 756 L N 6.483 127.013 121.223 -1.156 0.000 2.448 756 L HA 0.096 4.336 4.340 -0.166 0.000 0.278 756 L C 0.362 176.542 176.870 -1.150 0.000 1.201 756 L CA -0.251 54.012 54.840 -0.962 0.000 1.036 756 L CB -0.756 40.877 42.059 -0.708 0.000 1.325 756 L HN 0.554 nan 8.230 nan 0.000 0.441 757 D N 1.933 121.773 120.400 -0.934 0.000 2.378 757 D HA -0.060 4.480 4.640 -0.166 0.000 0.238 757 D C 0.227 176.356 176.300 -0.284 0.000 1.180 757 D CA 0.069 53.743 54.000 -0.543 0.000 0.895 757 D CB 0.557 41.273 40.800 -0.140 0.000 1.192 757 D HN 0.467 nan 8.370 nan 0.000 0.438 758 D N -0.249 120.085 120.400 -0.110 0.000 2.829 758 D HA -0.077 4.463 4.640 -0.166 0.000 0.219 758 D C -1.072 175.171 176.300 -0.095 0.000 1.239 758 D CA 0.936 54.907 54.000 -0.048 0.000 0.685 758 D CB -0.718 40.079 40.800 -0.005 0.000 0.950 758 D HN 0.399 nan 8.370 nan 0.000 0.398 759 A N 0.243 122.991 122.820 -0.121 0.000 2.414 759 A HA 0.672 4.893 4.320 -0.166 0.000 0.306 759 A C -0.195 177.355 177.584 -0.057 0.000 1.054 759 A CA -0.731 51.233 52.037 -0.122 0.000 0.724 759 A CB 1.666 20.528 19.000 -0.229 0.000 1.267 759 A HN 0.139 nan 8.150 nan 0.000 0.418 760 V N 1.995 121.881 119.914 -0.046 0.000 2.530 760 V HA 0.227 4.247 4.120 -0.166 0.000 0.282 760 V C 0.532 176.603 176.094 -0.039 0.000 1.048 760 V CA -0.107 62.177 62.300 -0.027 0.000 0.997 760 V CB 1.183 32.978 31.823 -0.048 0.000 0.987 760 V HN 0.936 nan 8.190 nan 0.000 0.477 761 E N 3.125 123.289 120.200 -0.060 0.000 2.191 761 E HA 0.637 4.888 4.350 -0.166 0.000 0.278 761 E C -1.543 174.766 176.600 -0.485 0.000 0.972 761 E CA -0.422 55.848 56.400 -0.217 0.000 0.804 761 E CB 1.928 31.558 29.700 -0.116 0.000 1.110 761 E HN 0.481 nan 8.360 nan 0.000 0.394 762 V N 3.893 123.600 119.914 -0.345 0.000 2.841 762 V HA 0.298 4.318 4.120 -0.166 0.000 0.310 762 V C -0.729 175.328 176.094 -0.063 0.000 1.090 762 V CA -0.878 61.309 62.300 -0.189 0.000 0.930 762 V CB 2.192 34.041 31.823 0.043 0.000 1.014 762 V HN 0.722 nan 8.190 nan 0.000 0.425 763 D N 2.150 122.571 120.400 0.036 0.000 2.375 763 D HA 0.636 5.177 4.640 -0.166 0.000 0.247 763 D C -1.367 175.022 176.300 0.149 0.000 1.061 763 D CA -0.091 53.982 54.000 0.121 0.000 0.834 763 D CB 2.620 43.541 40.800 0.202 0.000 1.247 763 D HN 0.286 nan 8.370 nan 0.000 0.489 764 V N 2.985 122.976 119.914 0.128 0.000 2.577 764 V HA 0.262 4.282 4.120 -0.166 0.000 0.303 764 V C -0.572 175.567 176.094 0.076 0.000 1.042 764 V CA -0.903 61.475 62.300 0.131 0.000 0.872 764 V CB 2.271 34.220 31.823 0.210 0.000 0.998 764 V HN 0.419 nan 8.190 nan 0.000 0.423 765 D N 3.445 123.885 120.400 0.067 0.000 2.217 765 D HA 0.824 5.364 4.640 -0.166 0.000 0.243 765 D C -0.182 176.136 176.300 0.030 0.000 1.054 765 D CA 0.118 54.141 54.000 0.039 0.000 0.838 765 D CB 2.236 43.057 40.800 0.035 0.000 1.162 765 D HN 0.850 nan 8.370 nan 0.000 0.472 766 A N 2.243 125.073 122.820 0.017 0.000 2.572 766 A HA 0.685 4.906 4.320 -0.166 0.000 0.295 766 A C -1.108 176.476 177.584 -0.001 0.000 1.072 766 A CA -0.655 51.385 52.037 0.006 0.000 0.691 766 A CB 1.125 20.125 19.000 -0.000 0.000 1.291 766 A HN 0.497 nan 8.150 nan 0.000 0.404 767 I N 0.886 121.455 120.570 -0.002 0.000 2.377 767 I HA 0.475 4.546 4.170 -0.166 0.000 0.293 767 I C -0.336 175.768 176.117 -0.022 0.000 0.987 767 I CA -0.487 60.816 61.300 0.005 0.000 1.185 767 I CB 1.570 39.587 38.000 0.027 0.000 1.341 767 I HN 0.686 nan 8.210 nan 0.000 0.455 768 C N 5.581 124.863 119.300 -0.031 0.000 2.455 768 C HA 0.499 4.860 4.460 -0.166 0.000 0.320 768 C C 0.371 175.365 174.990 0.007 0.000 1.226 768 C CA -0.443 58.537 59.018 -0.062 0.000 1.569 768 C CB 1.048 28.679 27.740 -0.182 0.000 2.200 768 C HN 0.924 nan 8.230 nan 0.000 0.491 769 D N 1.591 122.022 120.400 0.053 0.000 2.440 769 D HA 0.297 4.837 4.640 -0.166 0.000 0.216 769 D C 1.342 177.711 176.300 0.115 0.000 1.150 769 D CA 0.646 54.691 54.000 0.076 0.000 0.832 769 D CB 0.081 40.922 40.800 0.068 0.000 0.992 769 D HN 1.431 nan 8.370 nan 0.000 0.502 770 G N 0.582 109.493 108.800 0.184 0.000 2.268 770 G HA2 -0.387 3.474 3.960 -0.166 0.000 0.240 770 G HA3 -0.387 3.474 3.960 -0.166 0.000 0.240 770 G C 1.031 176.097 174.900 0.277 0.000 1.010 770 G CA 0.422 45.667 45.100 0.242 0.000 0.618 770 G HN 0.425 nan 8.290 nan 0.000 0.516 771 E N -0.364 119.975 120.200 0.231 0.000 2.132 771 E HA 0.446 4.697 4.350 -0.166 0.000 0.193 771 E C 1.419 178.175 176.600 0.259 0.000 0.951 771 E CA 1.083 57.581 56.400 0.163 0.000 0.843 771 E CB 0.094 29.854 29.700 0.100 0.000 0.807 771 E HN 0.773 nan 8.360 nan 0.000 0.467 772 M N -2.027 117.753 119.600 0.300 0.000 2.924 772 M HA 0.522 4.903 4.480 -0.166 0.000 0.271 772 M C -1.660 174.733 176.300 0.155 0.000 1.280 772 M CA -0.981 54.507 55.300 0.314 0.000 0.813 772 M CB 2.351 35.050 32.600 0.165 0.000 1.658 772 M HN -0.316 nan 8.290 nan 0.000 0.467 773 V N 1.898 121.862 119.914 0.082 0.000 2.577 773 V HA 0.643 4.663 4.120 -0.166 0.000 0.303 773 V C -1.289 174.804 176.094 -0.001 0.000 1.042 773 V CA -0.645 61.629 62.300 -0.044 0.000 0.872 773 V CB 1.752 33.464 31.823 -0.185 0.000 0.998 773 V HN 0.790 nan 8.190 nan 0.000 0.423 774 L N 5.748 126.968 121.223 -0.005 0.000 2.307 774 L HA 0.669 4.909 4.340 -0.166 0.000 0.284 774 L C -0.701 176.168 176.870 -0.001 0.000 1.023 774 L CA -0.048 54.794 54.840 0.005 0.000 0.810 774 L CB 1.242 43.307 42.059 0.010 0.000 1.231 774 L HN 0.445 nan 8.230 nan 0.000 0.423 775 I N 5.334 125.906 120.570 0.003 0.000 2.312 775 I HA 0.244 4.314 4.170 -0.166 0.000 0.291 775 I C 1.362 177.482 176.117 0.004 0.000 1.031 775 I CA 0.169 61.474 61.300 0.008 0.000 1.293 775 I CB 0.643 38.650 38.000 0.011 0.000 1.403 775 I HN 0.911 nan 8.210 nan 0.000 0.484 776 G N 5.322 114.128 108.800 0.009 0.000 2.394 776 G HA2 0.224 4.085 3.960 -0.166 0.000 0.214 776 G HA3 0.224 4.085 3.960 -0.166 0.000 0.214 776 G C 0.637 175.537 174.900 -0.000 0.000 1.176 776 G CA 0.669 45.771 45.100 0.003 0.000 0.786 776 G HN 0.785 nan 8.290 nan 0.000 0.533 777 G N -0.979 107.835 108.800 0.024 0.000 2.633 777 G HA2 0.442 4.302 3.960 -0.166 0.000 0.299 777 G HA3 0.442 4.302 3.960 -0.166 0.000 0.299 777 G C -1.530 173.417 174.900 0.079 0.000 1.501 777 G CA -0.839 44.283 45.100 0.037 0.000 0.887 777 G HN 0.143 nan 8.290 nan 0.000 0.561 778 I N 1.878 122.498 120.570 0.084 0.000 2.330 778 I HA 0.410 4.480 4.170 -0.166 0.000 0.289 778 I C -0.059 176.149 176.117 0.153 0.000 1.001 778 I CA -0.419 60.945 61.300 0.108 0.000 1.193 778 I CB 1.680 39.723 38.000 0.071 0.000 1.345 778 I HN 0.255 nan 8.210 nan 0.000 0.461 779 M N 6.160 125.874 119.600 0.190 0.000 2.294 779 M HA 0.301 4.682 4.480 -0.166 0.000 0.335 779 M C -0.353 176.088 176.300 0.234 0.000 1.079 779 M CA -0.396 55.062 55.300 0.264 0.000 0.982 779 M CB 1.923 34.717 32.600 0.322 0.000 1.651 779 M HN 0.429 nan 8.290 nan 0.000 0.437 780 E N 3.471 123.841 120.200 0.283 0.000 2.092 780 E HA 0.257 4.507 4.350 -0.166 0.000 0.271 780 E C -1.074 175.763 176.600 0.394 0.000 0.919 780 E CA -0.538 56.008 56.400 0.244 0.000 0.760 780 E CB 0.697 30.522 29.700 0.208 0.000 1.106 780 E HN 0.671 nan 8.360 nan 0.000 0.408 781 H N 3.558 122.752 119.070 0.206 0.000 2.897 781 H HA -0.011 4.446 4.556 -0.166 0.000 0.347 781 H C 0.772 176.254 175.328 0.257 0.000 1.068 781 H CA -0.612 55.554 56.048 0.196 0.000 1.426 781 H CB 1.054 30.899 29.762 0.138 0.000 1.410 781 H HN 0.589 nan 8.280 nan 0.000 0.597 782 I N 1.719 122.516 120.570 0.378 0.000 2.162 782 I HA -0.147 3.923 4.170 -0.166 0.000 0.238 782 I C 0.799 177.081 176.117 0.275 0.000 1.076 782 I CA 1.178 62.675 61.300 0.329 0.000 1.353 782 I CB -0.153 38.010 38.000 0.272 0.000 1.063 782 I HN 0.624 nan 8.210 nan 0.000 0.408 783 E N 1.735 122.076 120.200 0.235 0.000 2.398 783 E HA 0.041 4.291 4.350 -0.166 0.000 0.263 783 E C 0.211 176.947 176.600 0.226 0.000 1.046 783 E CA -0.266 56.257 56.400 0.204 0.000 0.908 783 E CB 0.235 30.033 29.700 0.163 0.000 0.963 783 E HN 0.167 nan 8.360 nan 0.000 0.431 784 Q N 1.223 121.135 119.800 0.188 0.000 2.407 784 Q HA 0.334 4.575 4.340 -0.166 0.000 0.214 784 Q C -0.394 175.714 176.000 0.178 0.000 1.043 784 Q CA -0.634 55.264 55.803 0.159 0.000 0.983 784 Q CB 0.418 29.232 28.738 0.126 0.000 1.211 784 Q HN 0.480 nan 8.270 nan 0.000 0.564 785 A N -0.470 122.417 122.820 0.111 0.000 2.511 785 A HA 0.443 4.663 4.320 -0.166 0.000 0.242 785 A C 1.101 178.841 177.584 0.262 0.000 1.069 785 A CA 0.801 52.907 52.037 0.114 0.000 0.763 785 A CB -0.830 18.150 19.000 -0.034 0.000 1.001 785 A HN 1.365 nan 8.150 nan 0.000 0.498 786 G N 0.763 109.753 108.800 0.317 0.000 2.316 786 G HA2 -0.117 3.744 3.960 -0.166 0.000 0.203 786 G HA3 -0.117 3.744 3.960 -0.166 0.000 0.203 786 G C 0.059 175.070 174.900 0.186 0.000 0.999 786 G CA 0.011 45.329 45.100 0.364 0.000 0.649 786 G HN 1.395 nan 8.290 nan 0.000 0.489 787 V N 3.632 123.661 119.914 0.191 0.000 2.333 787 V HA 0.405 4.426 4.120 -0.166 0.000 0.274 787 V C 0.818 177.011 176.094 0.165 0.000 1.028 787 V CA -1.024 61.376 62.300 0.167 0.000 0.851 787 V CB 1.082 32.999 31.823 0.157 0.000 1.000 787 V HN 0.439 nan 8.190 nan 0.000 0.456 788 H N 3.844 122.959 119.070 0.074 0.000 3.152 788 H HA -0.092 4.376 4.556 -0.148 0.000 0.319 788 H C 1.586 176.922 175.328 0.013 0.000 0.994 788 H CA 1.054 57.134 56.048 0.054 0.000 1.370 788 H CB 1.099 30.879 29.762 0.029 0.000 1.322 788 H HN 0.852 nan 8.280 nan 0.000 0.590 789 S N 3.042 118.605 115.700 -0.229 0.000 2.387 789 S HA -0.173 4.197 4.470 -0.166 0.000 0.230 789 S C 2.345 176.921 174.600 -0.040 0.000 1.035 789 S CA 0.910 59.011 58.200 -0.165 0.000 1.014 789 S CB -0.716 62.467 63.200 -0.029 0.000 0.836 789 S HN 0.750 nan 8.310 nan 0.000 0.466 790 G N 1.460 110.485 108.800 0.375 0.000 2.479 790 G HA2 -0.141 3.720 3.960 -0.166 0.000 0.220 790 G HA3 -0.141 3.720 3.960 -0.166 0.000 0.220 790 G C 0.749 175.696 174.900 0.078 0.000 1.115 790 G CA 1.068 46.316 45.100 0.245 0.000 0.757 790 G HN 0.555 nan 8.290 nan 0.000 0.560 791 D N -0.476 119.982 120.400 0.097 0.000 2.431 791 D HA 0.191 4.732 4.640 -0.166 0.000 0.213 791 D C 0.554 176.853 176.300 -0.002 0.000 1.130 791 D CA -0.039 53.981 54.000 0.033 0.000 0.834 791 D CB 0.722 41.563 40.800 0.069 0.000 0.985 791 D HN 0.069 nan 8.370 nan 0.000 0.504 792 S N 0.633 116.279 115.700 -0.091 0.000 2.586 792 S HA 0.643 5.014 4.470 -0.166 0.000 0.274 792 S C 0.389 174.913 174.600 -0.127 0.000 1.281 792 S CA -0.692 57.426 58.200 -0.138 0.000 1.035 792 S CB 1.786 64.716 63.200 -0.451 0.000 0.962 792 S HN 0.243 nan 8.310 nan 0.000 0.512 793 A N 0.887 123.704 122.820 -0.005 0.000 2.272 793 A HA 0.736 4.957 4.320 -0.166 0.000 0.275 793 A C 0.283 177.897 177.584 0.049 0.000 1.096 793 A CA -0.518 51.529 52.037 0.017 0.000 0.822 793 A CB -0.235 18.871 19.000 0.176 0.000 1.088 793 A HN 1.318 nan 8.150 nan 0.000 0.495 794 C N -0.942 118.386 119.300 0.046 0.000 3.312 794 C HA 0.865 5.225 4.460 -0.166 0.000 0.332 794 C C -0.489 174.633 174.990 0.220 0.000 1.340 794 C CA -0.101 59.017 59.018 0.167 0.000 1.265 794 C CB 0.862 28.704 27.740 0.169 0.000 1.563 794 C HN 1.646 nan 8.230 nan 0.000 0.471 795 S N 0.958 116.887 115.700 0.382 0.000 2.538 795 S HA 0.795 5.165 4.470 -0.166 0.000 0.288 795 S C -1.503 173.402 174.600 0.509 0.000 1.108 795 S CA -0.516 57.982 58.200 0.497 0.000 0.971 795 S CB 1.493 65.043 63.200 0.583 0.000 1.041 795 S HN 1.318 nan 8.310 nan 0.000 0.483 796 L N 5.602 127.139 121.223 0.524 0.000 2.406 796 L HA 0.621 4.862 4.340 -0.166 0.000 0.270 796 L C -2.529 174.485 176.870 0.240 0.000 0.982 796 L CA -2.057 52.984 54.840 0.335 0.000 0.843 796 L CB 2.404 44.593 42.059 0.217 0.000 1.225 796 L HN 0.556 nan 8.230 nan 0.000 0.412 797 P HA 0.247 nan 4.420 nan 0.000 0.282 797 P C -0.776 176.725 177.300 0.336 0.000 1.287 797 P CA -0.517 62.675 63.100 0.153 0.000 0.792 797 P CB 0.726 32.428 31.700 0.003 0.000 1.163 798 A N 0.370 123.337 122.820 0.244 0.000 2.561 798 A HA 0.008 4.229 4.320 -0.166 0.000 0.234 798 A C 0.724 178.510 177.584 0.336 0.000 1.055 798 A CA 0.278 52.470 52.037 0.258 0.000 0.756 798 A CB -1.012 18.047 19.000 0.099 0.000 0.986 798 A HN 0.758 nan 8.150 nan 0.000 0.505 799 Y N 0.214 120.573 120.300 0.100 0.000 2.458 799 Y HA 0.267 4.717 4.550 -0.167 0.000 0.254 799 Y C 1.540 177.357 175.900 -0.138 0.000 1.120 799 Y CA 0.755 58.835 58.100 -0.034 0.000 1.282 799 Y CB 0.230 38.398 38.460 -0.488 0.000 1.109 799 Y HN 0.627 nan 8.280 nan 0.000 0.526 800 T N -1.814 112.366 114.554 -0.623 0.000 2.992 800 T HA 0.310 4.560 4.350 -0.166 0.000 0.255 800 T C 0.163 174.692 174.700 -0.284 0.000 0.938 800 T CA -0.262 61.523 62.100 -0.526 0.000 0.895 800 T CB -0.592 67.836 68.868 -0.732 0.000 1.221 800 T HN 0.144 nan 8.240 nan 0.000 0.512 801 L N 3.854 124.950 121.223 -0.211 0.000 2.439 801 L HA 0.485 4.726 4.340 -0.166 0.000 0.269 801 L C 0.886 177.699 176.870 -0.096 0.000 1.179 801 L CA -0.742 54.017 54.840 -0.135 0.000 0.828 801 L CB 0.786 42.783 42.059 -0.104 0.000 1.106 801 L HN 0.364 nan 8.230 nan 0.000 0.467 802 S N 0.821 116.468 115.700 -0.089 0.000 2.576 802 S HA 0.055 4.425 4.470 -0.166 0.000 0.276 802 S C 0.617 175.179 174.600 -0.063 0.000 1.339 802 S CA -0.607 57.551 58.200 -0.071 0.000 1.039 802 S CB 1.587 64.746 63.200 -0.069 0.000 0.902 802 S HN 0.677 nan 8.310 nan 0.000 0.516 803 Q N 1.410 121.179 119.800 -0.051 0.000 2.061 803 Q HA -0.222 4.019 4.340 -0.166 0.000 0.204 803 Q C 2.052 178.019 176.000 -0.055 0.000 0.984 803 Q CA 2.451 58.226 55.803 -0.047 0.000 0.846 803 Q CB -0.545 28.170 28.738 -0.038 0.000 0.902 803 Q HN 0.970 nan 8.270 nan 0.000 0.421 804 E N -0.247 119.921 120.200 -0.054 0.000 2.086 804 E HA -0.272 3.979 4.350 -0.166 0.000 0.205 804 E C 2.028 178.583 176.600 -0.075 0.000 1.027 804 E CA 1.761 58.126 56.400 -0.058 0.000 0.830 804 E CB -0.473 29.195 29.700 -0.052 0.000 0.751 804 E HN 0.598 nan 8.360 nan 0.000 0.456 805 I N 0.405 120.925 120.570 -0.084 0.000 2.252 805 I HA -0.287 3.783 4.170 -0.166 0.000 0.245 805 I C 2.629 178.661 176.117 -0.140 0.000 1.102 805 I CA 1.211 62.444 61.300 -0.110 0.000 1.385 805 I CB -0.081 37.856 38.000 -0.105 0.000 1.064 805 I HN 0.292 nan 8.210 nan 0.000 0.414 806 Q N 0.352 120.085 119.800 -0.113 0.000 2.061 806 Q HA -0.265 3.976 4.340 -0.166 0.000 0.204 806 Q C 1.737 177.666 176.000 -0.119 0.000 0.984 806 Q CA 1.992 57.726 55.803 -0.114 0.000 0.846 806 Q CB -0.233 28.465 28.738 -0.067 0.000 0.902 806 Q HN 0.560 nan 8.270 nan 0.000 0.421 807 D N 0.034 120.381 120.400 -0.089 0.000 2.182 807 D HA -0.140 4.400 4.640 -0.166 0.000 0.201 807 D C 1.973 178.217 176.300 -0.093 0.000 0.986 807 D CA 0.936 54.892 54.000 -0.073 0.000 0.847 807 D CB -0.107 40.661 40.800 -0.052 0.000 0.942 807 D HN 0.090 nan 8.370 nan 0.000 0.467 808 V N 1.210 121.049 119.914 -0.125 0.000 2.261 808 V HA -0.256 3.764 4.120 -0.166 0.000 0.246 808 V C 2.627 178.594 176.094 -0.211 0.000 1.047 808 V CA 1.431 63.644 62.300 -0.146 0.000 1.015 808 V CB -0.380 31.347 31.823 -0.161 0.000 0.642 808 V HN 0.164 nan 8.190 nan 0.000 0.446 809 M N -0.728 118.661 119.600 -0.352 0.000 2.108 809 M HA -0.211 4.170 4.480 -0.166 0.000 0.261 809 M C 2.385 178.551 176.300 -0.223 0.000 1.066 809 M CA 1.890 56.823 55.300 -0.611 0.000 1.107 809 M CB -0.442 31.692 32.600 -0.778 0.000 1.356 809 M HN 0.263 nan 8.290 nan 0.000 0.406 810 R N -0.370 120.060 120.500 -0.117 0.000 2.127 810 R HA -0.162 4.078 4.340 -0.166 0.000 0.238 810 R C 2.137 178.441 176.300 0.007 0.000 1.134 810 R CA 1.132 57.220 56.100 -0.021 0.000 0.975 810 R CB -0.508 29.782 30.300 -0.016 0.000 0.865 810 R HN 0.576 nan 8.270 nan 0.000 0.447 811 Q N 0.747 120.538 119.800 -0.015 0.000 2.046 811 Q HA -0.142 4.098 4.340 -0.166 0.000 0.200 811 Q C 2.259 178.292 176.000 0.054 0.000 0.975 811 Q CA 1.310 57.124 55.803 0.018 0.000 0.836 811 Q CB 0.076 28.815 28.738 0.001 0.000 0.896 811 Q HN 0.483 nan 8.270 nan 0.000 0.428 812 Q N -0.134 119.702 119.800 0.060 0.000 2.061 812 Q HA -0.163 4.078 4.340 -0.166 0.000 0.204 812 Q C 2.290 178.403 176.000 0.188 0.000 0.984 812 Q CA 1.659 57.550 55.803 0.147 0.000 0.846 812 Q CB -0.379 28.496 28.738 0.228 0.000 0.902 812 Q HN 0.227 nan 8.270 nan 0.000 0.421 813 V N 1.561 121.612 119.914 0.228 0.000 2.231 813 V HA -0.356 3.664 4.120 -0.166 0.000 0.248 813 V C 2.516 178.628 176.094 0.030 0.000 1.054 813 V CA 2.394 64.786 62.300 0.152 0.000 1.015 813 V CB -0.953 30.954 31.823 0.140 0.000 0.638 813 V HN 0.459 nan 8.190 nan 0.000 0.444 814 Q N -0.020 119.785 119.800 0.007 0.000 2.047 814 Q HA -0.361 3.879 4.340 -0.166 0.000 0.211 814 Q C 2.340 178.328 176.000 -0.021 0.000 1.005 814 Q CA 2.669 58.428 55.803 -0.073 0.000 0.866 814 Q CB -0.140 28.636 28.738 0.063 0.000 0.938 814 Q HN 0.619 nan 8.270 nan 0.000 0.414 815 K N 0.156 120.622 120.400 0.111 0.000 2.020 815 K HA -0.174 4.047 4.320 -0.166 0.000 0.212 815 K C 2.169 178.840 176.600 0.117 0.000 1.050 815 K CA 1.759 58.143 56.287 0.162 0.000 0.929 815 K CB -0.325 32.249 32.500 0.124 0.000 0.714 815 K HN 0.206 nan 8.250 nan 0.000 0.443 816 L N 0.310 121.580 121.223 0.077 0.000 2.013 816 L HA -0.293 3.947 4.340 -0.166 0.000 0.212 816 L C 2.470 179.350 176.870 0.017 0.000 1.073 816 L CA 1.497 56.379 54.840 0.070 0.000 0.753 816 L CB -0.693 41.413 42.059 0.079 0.000 0.890 816 L HN 0.284 nan 8.230 nan 0.000 0.432 817 A N 0.232 122.995 122.820 -0.096 0.000 1.859 817 A HA -0.274 3.946 4.320 -0.166 0.000 0.218 817 A C 2.016 179.503 177.584 -0.162 0.000 1.209 817 A CA 2.258 54.163 52.037 -0.221 0.000 0.639 817 A CB -1.099 17.602 19.000 -0.498 0.000 0.835 817 A HN 0.290 nan 8.150 nan 0.000 0.450 818 F N -0.293 119.684 119.950 0.045 0.000 2.046 818 F HA -0.131 4.297 4.527 -0.165 0.000 0.297 818 F C 2.366 178.189 175.800 0.038 0.000 1.123 818 F CA 1.707 59.730 58.000 0.037 0.000 1.199 818 F CB -1.199 37.820 39.000 0.031 0.000 0.972 818 F HN 0.370 nan 8.300 nan 0.000 0.474 819 E N 0.964 121.303 120.200 0.232 0.000 2.068 819 E HA -0.241 4.009 4.350 -0.166 0.000 0.207 819 E C 1.915 178.584 176.600 0.115 0.000 1.032 819 E CA 1.795 58.283 56.400 0.147 0.000 0.839 819 E CB -0.723 29.048 29.700 0.118 0.000 0.758 819 E HN 0.451 nan 8.360 nan 0.000 0.457 820 L N 0.402 121.684 121.223 0.097 0.000 2.622 820 L HA -0.031 4.209 4.340 -0.166 0.000 0.233 820 L C 0.227 177.137 176.870 0.067 0.000 1.156 820 L CA 0.498 55.384 54.840 0.076 0.000 0.866 820 L CB -0.450 41.646 42.059 0.061 0.000 0.980 820 L HN 0.261 nan 8.230 nan 0.000 0.448 821 Q N -0.542 119.311 119.800 0.089 0.000 2.453 821 Q HA -0.164 4.076 4.340 -0.166 0.000 0.330 821 Q C -0.355 175.677 176.000 0.054 0.000 1.417 821 Q CA 0.202 56.058 55.803 0.089 0.000 0.902 821 Q CB -2.221 26.561 28.738 0.074 0.000 1.154 821 Q HN 0.237 nan 8.270 nan 0.000 0.395 822 V N 1.501 121.432 119.914 0.027 0.000 2.686 822 V HA 0.254 4.274 4.120 -0.166 0.000 0.295 822 V C 0.936 177.041 176.094 0.018 0.000 1.055 822 V CA 0.169 62.474 62.300 0.008 0.000 1.050 822 V CB 1.305 33.111 31.823 -0.027 0.000 0.984 822 V HN 0.281 nan 8.190 nan 0.000 0.482 823 R N 3.649 124.163 120.500 0.024 0.000 2.607 823 R HA 0.589 4.829 4.340 -0.166 0.000 0.278 823 R C 0.213 176.532 176.300 0.031 0.000 1.637 823 R CA 0.353 56.470 56.100 0.028 0.000 1.325 823 R CB 1.274 31.590 30.300 0.027 0.000 1.211 823 R HN 1.078 nan 8.270 nan 0.000 0.565 824 G N 1.308 110.134 108.800 0.042 0.000 2.217 824 G HA2 -0.098 3.762 3.960 -0.166 0.000 0.173 824 G HA3 -0.098 3.762 3.960 -0.166 0.000 0.173 824 G C -1.260 173.691 174.900 0.085 0.000 1.324 824 G CA -0.974 44.173 45.100 0.078 0.000 1.225 824 G HN 0.252 nan 8.290 nan 0.000 0.494 825 L N 1.702 123.007 121.223 0.138 0.000 2.418 825 L HA 0.801 5.041 4.340 -0.166 0.000 0.265 825 L C 0.872 177.778 176.870 0.060 0.000 1.143 825 L CA -0.317 54.579 54.840 0.093 0.000 0.809 825 L CB 1.307 43.420 42.059 0.092 0.000 1.124 825 L HN 0.904 nan 8.230 nan 0.000 0.456 826 M N 1.657 121.273 119.600 0.027 0.000 2.578 826 M HA 0.490 4.871 4.480 -0.166 0.000 0.276 826 M C -1.880 174.420 176.300 -0.001 0.000 1.245 826 M CA -0.763 54.541 55.300 0.007 0.000 0.871 826 M CB 2.476 35.068 32.600 -0.013 0.000 1.722 826 M HN 0.514 nan 8.290 nan 0.000 0.473 827 N N 1.374 120.064 118.700 -0.016 0.000 2.260 827 N HA 0.697 5.337 4.740 -0.166 0.000 0.293 827 N C -2.360 173.107 175.510 -0.071 0.000 1.058 827 N CA -0.271 52.766 53.050 -0.021 0.000 0.824 827 N CB 2.990 41.475 38.487 -0.003 0.000 1.551 827 N HN 0.677 nan 8.380 nan 0.000 0.475 828 V N 2.114 121.971 119.914 -0.095 0.000 2.709 828 V HA 0.444 4.465 4.120 -0.166 0.000 0.308 828 V C -0.617 175.287 176.094 -0.318 0.000 1.062 828 V CA -0.780 61.364 62.300 -0.259 0.000 0.901 828 V CB 1.890 33.485 31.823 -0.380 0.000 1.003 828 V HN 0.611 nan 8.190 nan 0.000 0.425 829 Q N 3.084 122.641 119.800 -0.405 0.000 2.316 829 Q HA 0.727 4.967 4.340 -0.166 0.000 0.264 829 Q C -1.658 174.113 176.000 -0.381 0.000 0.987 829 Q CA -0.285 55.355 55.803 -0.272 0.000 0.852 829 Q CB 2.502 31.164 28.738 -0.127 0.000 1.287 829 Q HN 0.648 nan 8.270 nan 0.000 0.448 830 F N 0.338 120.278 119.950 -0.017 0.000 2.631 830 F HA 0.812 5.241 4.527 -0.164 0.000 0.328 830 F C -0.241 175.545 175.800 -0.024 0.000 1.067 830 F CA -1.100 56.904 58.000 0.007 0.000 0.969 830 F CB 1.672 40.676 39.000 0.006 0.000 1.332 830 F HN 0.505 nan 8.300 nan 0.000 0.490 831 A N 0.672 123.651 122.820 0.265 0.000 2.374 831 A HA 0.761 4.982 4.320 -0.166 0.000 0.305 831 A C -1.776 175.893 177.584 0.142 0.000 1.053 831 A CA -0.657 51.447 52.037 0.111 0.000 0.726 831 A CB 1.322 20.329 19.000 0.011 0.000 1.229 831 A HN 0.491 nan 8.150 nan 0.000 0.431 832 V N 3.168 123.113 119.914 0.050 0.000 2.313 832 V HA 0.389 4.410 4.120 -0.166 0.000 0.278 832 V C 0.085 176.190 176.094 0.017 0.000 1.017 832 V CA -0.363 61.967 62.300 0.049 0.000 0.823 832 V CB 1.007 32.823 31.823 -0.012 0.000 1.010 832 V HN 0.826 nan 8.190 nan 0.000 0.443 833 K N 3.874 124.322 120.400 0.080 0.000 2.323 833 K HA 0.427 4.647 4.320 -0.166 0.000 0.259 833 K C 0.147 176.793 176.600 0.076 0.000 0.947 833 K CA -0.590 55.707 56.287 0.016 0.000 0.819 833 K CB 0.725 33.146 32.500 -0.131 0.000 1.109 833 K HN 0.784 nan 8.250 nan 0.000 0.429 834 N N 3.900 122.611 118.700 0.019 0.000 2.667 834 N HA -0.272 4.368 4.740 -0.166 0.000 0.263 834 N C -0.543 174.981 175.510 0.023 0.000 1.038 834 N CA 0.433 53.495 53.050 0.020 0.000 0.749 834 N CB -0.794 37.715 38.487 0.037 0.000 0.892 834 N HN 0.829 nan 8.380 nan 0.000 0.546 835 N N -0.502 118.197 118.700 -0.001 0.000 2.686 835 N HA -0.239 4.402 4.740 -0.166 0.000 0.249 835 N C -0.696 174.807 175.510 -0.012 0.000 1.082 835 N CA 1.603 54.642 53.050 -0.019 0.000 0.725 835 N CB -0.208 38.261 38.487 -0.029 0.000 1.009 835 N HN 0.744 nan 8.380 nan 0.000 0.545 836 E N -0.954 119.266 120.200 0.034 0.000 2.256 836 E HA 0.549 4.799 4.350 -0.166 0.000 0.267 836 E C -0.952 175.682 176.600 0.056 0.000 0.892 836 E CA -0.736 55.675 56.400 0.019 0.000 0.775 836 E CB 1.996 31.753 29.700 0.094 0.000 1.207 836 E HN 0.001 nan 8.360 nan 0.000 0.420 837 V N 4.580 124.447 119.914 -0.078 0.000 2.347 837 V HA 0.350 4.370 4.120 -0.166 0.000 0.280 837 V C -1.053 175.028 176.094 -0.022 0.000 1.021 837 V CA -0.440 61.845 62.300 -0.024 0.000 0.847 837 V CB 0.405 32.135 31.823 -0.155 0.000 0.990 837 V HN 0.614 nan 8.190 nan 0.000 0.444 838 Y N 4.240 124.599 120.300 0.098 0.000 2.409 838 Y HA 0.575 5.026 4.550 -0.165 0.000 0.339 838 Y C -0.087 175.959 175.900 0.242 0.000 1.033 838 Y CA -1.024 57.151 58.100 0.125 0.000 1.094 838 Y CB 1.902 40.396 38.460 0.057 0.000 1.210 838 Y HN 0.425 nan 8.280 nan 0.000 0.456 839 L N 4.027 125.446 121.223 0.326 0.000 2.265 839 L HA 0.346 4.587 4.340 -0.166 0.000 0.288 839 L C 0.025 176.996 176.870 0.169 0.000 1.058 839 L CA 0.485 55.449 54.840 0.206 0.000 0.809 839 L CB 0.391 42.552 42.059 0.170 0.000 1.179 839 L HN 0.744 nan 8.230 nan 0.000 0.429 840 I N 2.773 123.380 120.570 0.061 0.000 2.512 840 I HA 0.126 4.196 4.170 -0.166 0.000 0.247 840 I C 0.276 176.423 176.117 0.051 0.000 1.094 840 I CA 0.323 61.658 61.300 0.059 0.000 1.427 840 I CB 0.248 38.251 38.000 0.005 0.000 1.149 840 I HN 0.739 nan 8.210 nan 0.000 0.438 841 E N -0.755 119.404 120.200 -0.069 0.000 2.429 841 E HA 0.520 4.770 4.350 -0.166 0.000 0.280 841 E C -1.519 174.900 176.600 -0.301 0.000 1.068 841 E CA -0.842 55.414 56.400 -0.240 0.000 0.837 841 E CB 2.257 31.817 29.700 -0.234 0.000 1.357 841 E HN -0.226 nan 8.360 nan 0.000 0.455 842 V N 1.928 121.554 119.914 -0.479 0.000 2.525 842 V HA 0.410 4.430 4.120 -0.166 0.000 0.299 842 V C -1.139 174.805 176.094 -0.251 0.000 1.034 842 V CA -0.935 61.182 62.300 -0.305 0.000 0.863 842 V CB 1.668 33.379 31.823 -0.188 0.000 0.999 842 V HN 0.623 nan 8.190 nan 0.000 0.423 843 N N 6.757 125.369 118.700 -0.146 0.000 2.501 843 N HA 0.375 5.016 4.740 -0.166 0.000 0.245 843 N C -2.700 172.783 175.510 -0.044 0.000 0.974 843 N CA -1.312 51.686 53.050 -0.086 0.000 0.941 843 N CB 2.413 40.874 38.487 -0.043 0.000 1.122 843 N HN 0.361 nan 8.380 nan 0.000 0.507 844 P HA 0.228 nan 4.420 nan 0.000 0.208 844 P C -0.474 176.843 177.300 0.028 0.000 1.837 844 P CA -0.048 63.048 63.100 -0.007 0.000 0.953 844 P CB 0.082 31.774 31.700 -0.012 0.000 1.870 845 R N -1.135 119.396 120.500 0.050 0.000 2.902 845 R HA 0.797 5.038 4.340 -0.166 0.000 0.264 845 R C -1.188 175.176 176.300 0.107 0.000 1.059 845 R CA -1.209 54.954 56.100 0.105 0.000 0.935 845 R CB 0.130 30.491 30.300 0.102 0.000 1.325 845 R HN -0.118 nan 8.270 nan 0.000 0.438 846 A N 0.582 123.484 122.820 0.136 0.000 2.409 846 A HA 0.653 4.874 4.320 -0.166 0.000 0.267 846 A C -0.068 177.575 177.584 0.098 0.000 1.127 846 A CA 0.028 52.074 52.037 0.015 0.000 0.795 846 A CB 0.217 19.087 19.000 -0.216 0.000 1.061 846 A HN 0.768 nan 8.150 nan 0.000 0.502 847 A N 2.248 125.072 122.820 0.007 0.000 2.306 847 A HA 0.574 4.794 4.320 -0.166 0.000 0.330 847 A C 1.241 178.697 177.584 -0.213 0.000 1.146 847 A CA -0.413 51.631 52.037 0.011 0.000 0.827 847 A CB 0.404 19.415 19.000 0.019 0.000 1.178 847 A HN 1.094 nan 8.150 nan 0.000 0.490 848 R N 0.194 120.509 120.500 -0.310 0.000 2.355 848 R HA -0.121 4.119 4.340 -0.166 0.000 0.219 848 R C 0.649 176.782 176.300 -0.278 0.000 1.107 848 R CA 2.004 57.787 56.100 -0.528 0.000 1.021 848 R CB -0.936 29.125 30.300 -0.397 0.000 0.852 848 R HN 0.657 nan 8.270 nan 0.000 0.475 849 T N -1.706 112.767 114.554 -0.135 0.000 3.054 849 T HA 0.083 4.333 4.350 -0.166 0.000 0.259 849 T C 1.955 176.651 174.700 -0.008 0.000 1.092 849 T CA 0.473 62.562 62.100 -0.018 0.000 1.121 849 T CB -0.107 68.799 68.868 0.063 0.000 0.912 849 T HN 0.038 nan 8.240 nan 0.000 0.489 850 V N 3.066 122.926 119.914 -0.089 0.000 2.277 850 V HA -0.183 3.837 4.120 -0.166 0.000 0.253 850 V C -0.165 175.866 176.094 -0.104 0.000 1.067 850 V CA 2.208 64.457 62.300 -0.085 0.000 1.047 850 V CB -1.686 30.064 31.823 -0.121 0.000 0.649 850 V HN 0.396 nan 8.190 nan 0.000 0.447 851 P HA -0.185 nan 4.420 nan 0.000 0.215 851 P C 1.770 178.931 177.300 -0.231 0.000 1.157 851 P CA 1.583 64.378 63.100 -0.509 0.000 0.863 851 P CB -0.210 30.886 31.700 -1.007 0.000 0.787 852 F N 0.639 120.449 119.950 -0.233 0.000 2.095 852 F HA -0.230 4.199 4.527 -0.163 0.000 0.298 852 F C 1.915 177.693 175.800 -0.036 0.000 1.104 852 F CA 1.490 59.421 58.000 -0.115 0.000 1.232 852 F CB -0.843 38.107 39.000 -0.082 0.000 0.987 852 F HN -0.311 nan 8.300 nan 0.000 0.475 853 V N -0.041 119.791 119.914 -0.138 0.000 2.287 853 V HA -0.318 3.702 4.120 -0.166 0.000 0.248 853 V C 2.482 178.482 176.094 -0.156 0.000 1.053 853 V CA 2.138 64.320 62.300 -0.197 0.000 1.027 853 V CB -1.106 30.699 31.823 -0.030 0.000 0.646 853 V HN 0.409 nan 8.190 nan 0.000 0.447 854 S N -0.590 115.069 115.700 -0.068 0.000 2.359 854 S HA -0.256 4.114 4.470 -0.166 0.000 0.224 854 S C 2.067 176.673 174.600 0.010 0.000 1.035 854 S CA 1.750 59.954 58.200 0.006 0.000 1.018 854 S CB -0.334 62.947 63.200 0.134 0.000 0.876 854 S HN 0.406 nan 8.310 nan 0.000 0.448 855 K N 1.753 122.149 120.400 -0.007 0.000 2.025 855 K HA 0.164 4.384 4.320 -0.166 0.000 0.207 855 K C 2.160 178.816 176.600 0.095 0.000 1.049 855 K CA 1.295 57.625 56.287 0.071 0.000 0.933 855 K CB -0.864 31.634 32.500 -0.003 0.000 0.714 855 K HN 0.289 nan 8.250 nan 0.000 0.438 856 A N -0.135 122.603 122.820 -0.136 0.000 1.898 856 A HA -0.149 4.071 4.320 -0.166 0.000 0.216 856 A C 2.163 179.765 177.584 0.030 0.000 1.181 856 A CA 2.407 54.401 52.037 -0.071 0.000 0.620 856 A CB -1.055 17.699 19.000 -0.409 0.000 0.819 856 A HN 0.506 nan 8.150 nan 0.000 0.442 857 T N -4.814 109.678 114.554 -0.103 0.000 3.081 857 T HA 0.386 4.636 4.350 -0.166 0.000 0.255 857 T C 1.448 175.973 174.700 -0.292 0.000 1.113 857 T CA 1.139 63.149 62.100 -0.150 0.000 1.082 857 T CB 0.085 68.874 68.868 -0.132 0.000 0.939 857 T HN 1.740 nan 8.240 nan 0.000 0.506 858 G N 0.566 109.081 108.800 -0.476 0.000 2.179 858 G HA2 -0.214 3.646 3.960 -0.166 0.000 0.260 858 G HA3 -0.214 3.646 3.960 -0.166 0.000 0.260 858 G C 0.025 174.745 174.900 -0.300 0.000 0.977 858 G CA 0.062 44.643 45.100 -0.865 0.000 0.641 858 G HN 0.783 nan 8.290 nan 0.000 0.533 859 V N 1.991 121.808 119.914 -0.161 0.000 2.357 859 V HA 0.441 4.461 4.120 -0.166 0.000 0.284 859 V C -1.713 174.386 176.094 0.009 0.000 1.018 859 V CA -1.503 60.758 62.300 -0.066 0.000 0.841 859 V CB 1.887 33.676 31.823 -0.057 0.000 0.991 859 V HN 0.108 nan 8.190 nan 0.000 0.437 860 P HA 0.103 nan 4.420 nan 0.000 0.235 860 P C 1.230 178.605 177.300 0.125 0.000 1.720 860 P CA 0.150 63.321 63.100 0.119 0.000 1.003 860 P CB 0.029 31.739 31.700 0.016 0.000 1.968 861 L N 0.619 121.905 121.223 0.106 0.000 2.103 861 L HA -0.306 3.935 4.340 -0.166 0.000 0.215 861 L C 2.476 179.411 176.870 0.109 0.000 1.080 861 L CA 2.043 56.931 54.840 0.079 0.000 0.764 861 L CB -1.199 40.886 42.059 0.043 0.000 0.890 861 L HN 0.176 nan 8.230 nan 0.000 0.435 862 A N 0.257 123.166 122.820 0.150 0.000 1.883 862 A HA -0.227 3.994 4.320 -0.166 0.000 0.217 862 A C 2.338 180.087 177.584 0.274 0.000 1.186 862 A CA 1.886 54.008 52.037 0.142 0.000 0.624 862 A CB -0.381 18.679 19.000 0.100 0.000 0.822 862 A HN 0.373 nan 8.150 nan 0.000 0.444 863 K N -0.352 120.168 120.400 0.200 0.000 2.009 863 K HA -0.124 4.097 4.320 -0.166 0.000 0.210 863 K C 1.927 178.592 176.600 0.109 0.000 1.049 863 K CA 1.609 57.964 56.287 0.112 0.000 0.929 863 K CB -0.703 31.789 32.500 -0.014 0.000 0.714 863 K HN 0.312 nan 8.250 nan 0.000 0.440 864 V N 1.787 121.756 119.914 0.090 0.000 2.231 864 V HA -0.321 3.699 4.120 -0.166 0.000 0.248 864 V C 2.485 178.638 176.094 0.097 0.000 1.054 864 V CA 2.260 64.605 62.300 0.075 0.000 1.015 864 V CB -0.955 30.904 31.823 0.059 0.000 0.638 864 V HN 0.436 nan 8.190 nan 0.000 0.444 865 A N -0.331 122.575 122.820 0.142 0.000 2.019 865 A HA -0.061 4.159 4.320 -0.166 0.000 0.219 865 A C 2.371 180.046 177.584 0.152 0.000 1.164 865 A CA 2.030 54.167 52.037 0.167 0.000 0.644 865 A CB -0.681 18.466 19.000 0.246 0.000 0.805 865 A HN 0.625 nan 8.150 nan 0.000 0.449 866 A N 0.091 123.017 122.820 0.177 0.000 1.898 866 A HA -0.130 4.090 4.320 -0.166 0.000 0.216 866 A C 2.225 179.804 177.584 -0.009 0.000 1.181 866 A CA 1.433 53.487 52.037 0.028 0.000 0.620 866 A CB -0.411 18.623 19.000 0.058 0.000 0.819 866 A HN 0.558 nan 8.150 nan 0.000 0.442 867 R N -0.678 119.846 120.500 0.039 0.000 2.081 867 R HA -0.066 4.174 4.340 -0.166 0.000 0.235 867 R C 1.993 178.312 176.300 0.031 0.000 1.131 867 R CA 1.327 57.452 56.100 0.042 0.000 0.960 867 R CB -0.710 29.626 30.300 0.060 0.000 0.856 867 R HN 0.340 nan 8.270 nan 0.000 0.436 868 V N 1.612 121.549 119.914 0.039 0.000 2.282 868 V HA -0.321 3.699 4.120 -0.166 0.000 0.249 868 V C 2.315 178.415 176.094 0.011 0.000 1.057 868 V CA 2.024 64.345 62.300 0.035 0.000 1.032 868 V CB -0.384 31.467 31.823 0.047 0.000 0.645 868 V HN 0.358 nan 8.190 nan 0.000 0.447 869 M N -0.396 119.194 119.600 -0.017 0.000 2.213 869 M HA -0.108 4.273 4.480 -0.166 0.000 0.263 869 M C 2.221 178.474 176.300 -0.078 0.000 1.062 869 M CA 1.909 57.175 55.300 -0.056 0.000 1.105 869 M CB -0.528 32.006 32.600 -0.110 0.000 1.385 869 M HN 0.385 nan 8.290 nan 0.000 0.417 870 A N -0.161 122.603 122.820 -0.094 0.000 2.067 870 A HA 0.265 4.486 4.320 -0.166 0.000 0.217 870 A C 1.778 179.361 177.584 -0.001 0.000 1.156 870 A CA 1.372 53.336 52.037 -0.122 0.000 0.683 870 A CB -0.402 18.418 19.000 -0.301 0.000 0.808 870 A HN 0.630 nan 8.150 nan 0.000 0.455 871 G N -1.797 107.019 108.800 0.026 0.000 2.276 871 G HA2 -0.071 3.790 3.960 -0.166 0.000 0.177 871 G HA3 -0.071 3.790 3.960 -0.166 0.000 0.177 871 G C -0.039 174.894 174.900 0.056 0.000 1.017 871 G CA 0.058 45.186 45.100 0.047 0.000 0.750 871 G HN 0.349 nan 8.290 nan 0.000 0.506 872 K N 2.220 122.654 120.400 0.057 0.000 2.389 872 K HA 0.530 4.750 4.320 -0.166 0.000 0.261 872 K C 0.992 177.620 176.600 0.046 0.000 1.014 872 K CA 0.135 56.455 56.287 0.055 0.000 0.920 872 K CB 0.966 33.505 32.500 0.066 0.000 1.149 872 K HN 0.414 nan 8.250 nan 0.000 0.444 873 S N 3.111 118.836 115.700 0.042 0.000 2.572 873 S HA 0.019 4.390 4.470 -0.166 0.000 0.267 873 S C 1.538 176.162 174.600 0.039 0.000 1.361 873 S CA -0.398 57.827 58.200 0.042 0.000 1.009 873 S CB 0.540 63.765 63.200 0.041 0.000 0.888 873 S HN 0.608 nan 8.310 nan 0.000 0.553 874 L N 1.526 122.774 121.223 0.041 0.000 2.046 874 L HA -0.067 4.174 4.340 -0.166 0.000 0.208 874 L C 3.064 179.952 176.870 0.030 0.000 1.077 874 L CA 1.590 56.451 54.840 0.036 0.000 0.747 874 L CB -1.215 40.867 42.059 0.038 0.000 0.896 874 L HN 0.947 nan 8.230 nan 0.000 0.432 875 A N 0.280 123.120 122.820 0.033 0.000 1.859 875 A HA -0.273 3.948 4.320 -0.166 0.000 0.217 875 A C 2.163 179.761 177.584 0.023 0.000 1.198 875 A CA 2.046 54.099 52.037 0.027 0.000 0.629 875 A CB -0.690 18.326 19.000 0.028 0.000 0.830 875 A HN 0.466 nan 8.150 nan 0.000 0.446 876 E N -0.421 119.795 120.200 0.025 0.000 2.171 876 E HA -0.252 3.998 4.350 -0.166 0.000 0.197 876 E C 2.183 178.796 176.600 0.021 0.000 0.997 876 E CA 1.492 57.905 56.400 0.023 0.000 0.810 876 E CB -0.210 29.506 29.700 0.026 0.000 0.738 876 E HN 0.773 nan 8.360 nan 0.000 0.467 877 Q N -0.822 118.992 119.800 0.024 0.000 2.331 877 Q HA 0.047 4.288 4.340 -0.166 0.000 0.203 877 Q C 1.055 177.064 176.000 0.015 0.000 0.944 877 Q CA 0.542 56.358 55.803 0.021 0.000 0.892 877 Q CB 0.613 29.367 28.738 0.026 0.000 0.983 877 Q HN 0.364 nan 8.270 nan 0.000 0.482 878 G N 0.751 109.559 108.800 0.014 0.000 2.204 878 G HA2 -0.200 3.661 3.960 -0.166 0.000 0.244 878 G HA3 -0.200 3.661 3.960 -0.166 0.000 0.244 878 G C -0.298 174.606 174.900 0.007 0.000 1.062 878 G CA 0.026 45.131 45.100 0.009 0.000 0.798 878 G HN 0.177 nan 8.290 nan 0.000 0.496 879 V N 0.549 120.470 119.914 0.010 0.000 2.439 879 V HA 0.676 4.696 4.120 -0.166 0.000 0.277 879 V C 0.702 176.803 176.094 0.012 0.000 1.008 879 V CA 0.333 62.638 62.300 0.007 0.000 0.846 879 V CB 1.056 32.884 31.823 0.008 0.000 1.031 879 V HN 0.874 nan 8.190 nan 0.000 0.441 880 T N -0.278 114.281 114.554 0.009 0.000 3.029 880 T HA 0.311 4.561 4.350 -0.166 0.000 0.256 880 T C 0.386 175.091 174.700 0.009 0.000 0.914 880 T CA -0.221 61.887 62.100 0.014 0.000 0.880 880 T CB 0.405 69.282 68.868 0.016 0.000 1.246 880 T HN 0.391 nan 8.240 nan 0.000 0.523 881 K N 2.263 122.663 120.400 -0.001 0.000 2.206 881 K HA 0.394 4.615 4.320 -0.166 0.000 0.264 881 K C -0.509 176.083 176.600 -0.015 0.000 0.967 881 K CA -0.505 55.779 56.287 -0.006 0.000 0.844 881 K CB 2.389 34.883 32.500 -0.009 0.000 1.099 881 K HN 0.318 nan 8.250 nan 0.000 0.441 882 E N 3.006 123.197 120.200 -0.015 0.000 2.493 882 E HA -0.016 4.235 4.350 -0.166 0.000 0.255 882 E C -0.771 175.806 176.600 -0.038 0.000 0.999 882 E CA -0.236 56.151 56.400 -0.023 0.000 0.934 882 E CB 0.573 30.262 29.700 -0.017 0.000 0.940 882 E HN 0.176 nan 8.360 nan 0.000 0.473 883 V N 7.070 126.953 119.914 -0.051 0.000 2.455 883 V HA 0.126 4.146 4.120 -0.166 0.000 0.273 883 V C 0.308 176.344 176.094 -0.096 0.000 1.045 883 V CA -0.275 61.980 62.300 -0.075 0.000 0.976 883 V CB 0.910 32.680 31.823 -0.088 0.000 0.993 883 V HN 0.607 nan 8.190 nan 0.000 0.475 884 I N 7.638 128.142 120.570 -0.111 0.000 2.405 884 I HA 0.372 4.442 4.170 -0.166 0.000 0.280 884 I C -2.069 173.920 176.117 -0.212 0.000 1.027 884 I CA -2.120 59.095 61.300 -0.143 0.000 1.161 884 I CB 1.488 39.420 38.000 -0.113 0.000 1.300 884 I HN 0.441 nan 8.210 nan 0.000 0.463 885 P HA 0.211 nan 4.420 nan 0.000 0.269 885 P C -2.161 174.825 177.300 -0.524 0.000 1.215 885 P CA -0.935 61.841 63.100 -0.540 0.000 0.780 885 P CB 0.001 31.167 31.700 -0.891 0.000 0.898 886 P HA 0.112 nan 4.420 nan 0.000 0.261 886 P C -0.629 176.551 177.300 -0.200 0.000 1.268 886 P CA 0.420 63.357 63.100 -0.272 0.000 0.833 886 P CB -0.081 31.574 31.700 -0.074 0.000 1.231 887 Y N -3.231 117.026 120.300 -0.072 0.000 2.609 887 Y HA 0.642 5.092 4.550 -0.167 0.000 0.342 887 Y C -0.766 175.103 175.900 -0.053 0.000 1.058 887 Y CA -2.146 55.938 58.100 -0.027 0.000 1.055 887 Y CB 0.320 38.799 38.460 0.032 0.000 1.292 887 Y HN -0.354 nan 8.280 nan 0.000 0.476 888 Y N 0.776 121.269 120.300 0.322 0.000 2.308 888 Y HA 0.550 5.000 4.550 -0.167 0.000 0.329 888 Y C -0.064 176.020 175.900 0.306 0.000 1.111 888 Y CA -0.071 58.184 58.100 0.257 0.000 1.179 888 Y CB 1.905 40.498 38.460 0.223 0.000 1.201 888 Y HN 0.620 nan 8.280 nan 0.000 0.483 889 S N 2.736 118.712 115.700 0.460 0.000 2.596 889 S HA 0.582 4.952 4.470 -0.166 0.000 0.318 889 S C -1.055 173.886 174.600 0.568 0.000 1.097 889 S CA -0.685 57.759 58.200 0.406 0.000 1.080 889 S CB 0.884 64.193 63.200 0.183 0.000 0.991 889 S HN 0.336 nan 8.310 nan 0.000 0.471 890 V N 4.414 124.570 119.914 0.404 0.000 2.495 890 V HA 0.491 4.511 4.120 -0.166 0.000 0.298 890 V C -0.003 176.112 176.094 0.035 0.000 1.031 890 V CA -0.802 61.636 62.300 0.231 0.000 0.871 890 V CB 1.855 33.677 31.823 -0.002 0.000 0.988 890 V HN 0.703 nan 8.190 nan 0.000 0.432 891 K N 3.540 123.743 120.400 -0.329 0.000 2.159 891 K HA 0.625 4.845 4.320 -0.166 0.000 0.266 891 K C -0.825 175.577 176.600 -0.330 0.000 0.975 891 K CA -0.388 55.563 56.287 -0.559 0.000 0.865 891 K CB 1.811 33.582 32.500 -1.215 0.000 1.087 891 K HN 0.763 nan 8.250 nan 0.000 0.446 892 E N 2.693 122.730 120.200 -0.272 0.000 2.336 892 E HA 0.352 4.602 4.350 -0.166 0.000 0.267 892 E C -1.362 175.134 176.600 -0.173 0.000 0.906 892 E CA -0.912 55.355 56.400 -0.221 0.000 0.781 892 E CB 1.769 31.298 29.700 -0.285 0.000 1.261 892 E HN 0.387 nan 8.360 nan 0.000 0.436 893 V N 0.782 120.622 119.914 -0.124 0.000 3.093 893 V HA 0.860 4.880 4.120 -0.166 0.000 0.320 893 V C -0.430 175.616 176.094 -0.080 0.000 1.093 893 V CA -0.488 61.752 62.300 -0.100 0.000 1.016 893 V CB 1.590 33.364 31.823 -0.081 0.000 1.096 893 V HN 0.658 nan 8.190 nan 0.000 0.452 894 V N 1.032 120.899 119.914 -0.077 0.000 2.448 894 V HA 0.763 4.784 4.120 -0.166 0.000 0.295 894 V C -0.633 175.399 176.094 -0.104 0.000 1.025 894 V CA -0.556 61.700 62.300 -0.074 0.000 0.859 894 V CB 0.817 32.601 31.823 -0.065 0.000 0.988 894 V HN 0.865 nan 8.190 nan 0.000 0.431 895 L N 6.079 127.222 121.223 -0.134 0.000 2.334 895 L HA 0.649 4.889 4.340 -0.166 0.000 0.273 895 L C -1.582 175.106 176.870 -0.303 0.000 1.013 895 L CA -1.514 53.147 54.840 -0.299 0.000 0.816 895 L CB 2.509 44.246 42.059 -0.536 0.000 1.278 895 L HN 0.436 nan 8.230 nan 0.000 0.431 896 P HA 0.027 nan 4.420 nan 0.000 0.253 896 P C 1.230 178.381 177.300 -0.247 0.000 1.260 896 P CA 0.228 63.154 63.100 -0.290 0.000 0.800 896 P CB 0.042 31.603 31.700 -0.232 0.000 1.162 897 F N 2.855 122.822 119.950 0.029 0.000 2.087 897 F HA -0.248 4.166 4.527 -0.189 0.000 0.299 897 F C 2.164 177.947 175.800 -0.028 0.000 1.100 897 F CA 1.747 59.790 58.000 0.073 0.000 1.226 897 F CB -2.051 37.032 39.000 0.138 0.000 0.983 897 F HN 0.141 nan 8.300 nan 0.000 0.479 898 N N 0.563 119.318 118.700 0.092 0.000 2.585 898 N HA -0.180 4.460 4.740 -0.166 0.000 0.188 898 N C 1.078 176.486 175.510 -0.170 0.000 1.102 898 N CA 0.970 54.011 53.050 -0.014 0.000 0.920 898 N CB -0.500 37.974 38.487 -0.022 0.000 0.963 898 N HN 0.267 nan 8.380 nan 0.000 0.447 899 K N -0.331 119.832 120.400 -0.395 0.000 2.400 899 K HA 0.104 4.325 4.320 -0.166 0.000 0.194 899 K C -0.446 175.638 176.600 -0.859 0.000 1.033 899 K CA 0.201 56.046 56.287 -0.736 0.000 1.021 899 K CB 0.214 31.997 32.500 -1.195 0.000 0.808 899 K HN 0.225 nan 8.250 nan 0.000 0.505 900 F N 0.728 120.641 119.950 -0.061 0.000 2.931 900 F HA 0.276 4.727 4.527 -0.126 0.000 0.375 900 F C -1.960 173.867 175.800 0.047 0.000 1.243 900 F CA -2.488 55.506 58.000 -0.010 0.000 1.206 900 F CB 1.466 40.423 39.000 -0.071 0.000 1.643 900 F HN -0.196 nan 8.300 nan 0.000 0.593 901 P HA -0.126 nan 4.420 nan 0.000 0.218 901 P C 1.821 179.185 177.300 0.107 0.000 1.148 901 P CA 1.462 64.623 63.100 0.103 0.000 0.822 901 P CB 0.250 31.978 31.700 0.047 0.000 0.784 902 G N -0.582 108.298 108.800 0.134 0.000 2.625 902 G HA2 -0.014 3.846 3.960 -0.166 0.000 0.214 902 G HA3 -0.014 3.846 3.960 -0.166 0.000 0.214 902 G C 0.500 175.465 174.900 0.108 0.000 1.132 902 G CA 0.117 45.278 45.100 0.102 0.000 0.782 902 G HN 0.206 nan 8.290 nan 0.000 0.538 903 V N 0.316 120.328 119.914 0.163 0.000 2.743 903 V HA 0.238 4.259 4.120 -0.166 0.000 0.301 903 V C -0.277 175.828 176.094 0.020 0.000 1.057 903 V CA -1.079 61.314 62.300 0.156 0.000 1.006 903 V CB 1.917 33.951 31.823 0.351 0.000 1.024 903 V HN 0.093 nan 8.190 nan 0.000 0.473 904 D N 4.471 124.842 120.400 -0.049 0.000 2.365 904 D HA 0.225 4.765 4.640 -0.166 0.000 0.237 904 D C -2.124 173.918 176.300 -0.430 0.000 1.190 904 D CA -2.120 51.781 54.000 -0.165 0.000 0.867 904 D CB 1.368 42.105 40.800 -0.106 0.000 1.050 904 D HN 0.260 nan 8.370 nan 0.000 0.491 905 P HA 0.113 nan 4.420 nan 0.000 0.231 905 P C -0.613 176.249 177.300 -0.731 0.000 1.756 905 P CA -0.260 62.036 63.100 -1.341 0.000 0.990 905 P CB -0.311 31.105 31.700 -0.474 0.000 1.973 906 L N 0.779 121.684 121.223 -0.531 0.000 2.341 906 L HA 0.457 4.697 4.340 -0.166 0.000 0.267 906 L C -0.704 176.206 176.870 0.067 0.000 1.009 906 L CA -1.233 53.538 54.840 -0.115 0.000 0.819 906 L CB 1.613 43.620 42.059 -0.087 0.000 1.323 906 L HN -0.111 nan 8.230 nan 0.000 0.425 907 L N 3.333 124.635 121.223 0.133 0.000 2.436 907 L HA 0.825 5.065 4.340 -0.166 0.000 0.265 907 L C 0.702 177.642 176.870 0.117 0.000 1.168 907 L CA 0.191 55.131 54.840 0.167 0.000 0.815 907 L CB 0.633 42.789 42.059 0.162 0.000 1.109 907 L HN 0.869 nan 8.230 nan 0.000 0.462 908 G N 0.418 109.292 108.800 0.123 0.000 2.570 908 G HA2 0.354 4.214 3.960 -0.166 0.000 0.310 908 G HA3 0.354 4.214 3.960 -0.166 0.000 0.310 908 G C -2.687 172.279 174.900 0.109 0.000 1.266 908 G CA -0.334 44.816 45.100 0.085 0.000 0.825 908 G HN 0.306 nan 8.290 nan 0.000 0.483 909 P HA 0.102 nan 4.420 nan 0.000 0.233 909 P C 0.224 177.630 177.300 0.177 0.000 1.167 909 P CA 0.870 64.037 63.100 0.112 0.000 0.770 909 P CB 0.557 32.273 31.700 0.027 0.000 0.837 910 E N 0.013 120.259 120.200 0.077 0.000 2.171 910 E HA 0.323 4.573 4.350 -0.166 0.000 0.271 910 E C -0.573 175.934 176.600 -0.155 0.000 0.916 910 E CA -1.061 55.314 56.400 -0.042 0.000 0.774 910 E CB 1.121 30.779 29.700 -0.071 0.000 1.128 910 E HN -0.105 nan 8.360 nan 0.000 0.403 911 M N 4.159 123.473 119.600 -0.477 0.000 2.238 911 M HA 0.107 4.488 4.480 -0.166 0.000 0.350 911 M C 0.145 176.303 176.300 -0.237 0.000 1.321 911 M CA 0.688 55.727 55.300 -0.436 0.000 1.097 911 M CB 0.326 32.483 32.600 -0.739 0.000 1.713 911 M HN 0.503 nan 8.290 nan 0.000 0.455 912 R N 1.183 121.606 120.500 -0.129 0.000 2.555 912 R HA 0.169 4.409 4.340 -0.166 0.000 0.312 912 R C -0.056 176.230 176.300 -0.023 0.000 0.938 912 R CA 0.150 56.204 56.100 -0.076 0.000 1.112 912 R CB 0.693 30.983 30.300 -0.017 0.000 1.535 912 R HN 0.834 nan 8.270 nan 0.000 0.525 913 S N -0.574 115.083 115.700 -0.071 0.000 2.585 913 S HA 0.067 4.437 4.470 -0.166 0.000 0.273 913 S C 1.202 175.778 174.600 -0.040 0.000 1.339 913 S CA 0.160 58.312 58.200 -0.078 0.000 1.028 913 S CB 1.552 64.708 63.200 -0.073 0.000 0.906 913 S HN 0.276 nan 8.310 nan 0.000 0.528 914 T N -0.690 113.836 114.554 -0.047 0.000 3.023 914 T HA 0.482 4.732 4.350 -0.166 0.000 0.249 914 T C 0.852 175.533 174.700 -0.031 0.000 1.050 914 T CA 0.280 62.364 62.100 -0.026 0.000 1.088 914 T CB -0.266 68.582 68.868 -0.032 0.000 0.946 914 T HN 1.049 nan 8.240 nan 0.000 0.480 915 G N 0.567 109.339 108.800 -0.047 0.000 2.827 915 G HA2 0.641 4.501 3.960 -0.166 0.000 0.296 915 G HA3 0.641 4.501 3.960 -0.166 0.000 0.296 915 G C -1.978 172.880 174.900 -0.070 0.000 1.362 915 G CA -0.888 44.183 45.100 -0.048 0.000 0.809 915 G HN 0.526 nan 8.290 nan 0.000 0.522 916 E N -1.940 118.214 120.200 -0.077 0.000 2.433 916 E HA 0.650 4.901 4.350 -0.166 0.000 0.278 916 E C -1.115 175.430 176.600 -0.091 0.000 0.976 916 E CA -0.981 55.357 56.400 -0.104 0.000 0.793 916 E CB 2.142 31.759 29.700 -0.139 0.000 1.311 916 E HN 0.940 nan 8.360 nan 0.000 0.460 917 V N -1.750 118.098 119.914 -0.111 0.000 3.126 917 V HA 0.754 4.774 4.120 -0.166 0.000 0.314 917 V C -0.395 175.652 176.094 -0.079 0.000 1.138 917 V CA -1.137 61.113 62.300 -0.084 0.000 1.034 917 V CB 1.819 33.586 31.823 -0.093 0.000 1.075 917 V HN 0.920 nan 8.190 nan 0.000 0.442 918 M N 1.735 121.324 119.600 -0.018 0.000 2.395 918 M HA 0.839 5.220 4.480 -0.166 0.000 0.307 918 M C -0.428 175.886 176.300 0.024 0.000 1.091 918 M CA -0.234 55.107 55.300 0.068 0.000 0.919 918 M CB 1.945 34.693 32.600 0.247 0.000 1.662 918 M HN 1.131 nan 8.290 nan 0.000 0.440 919 G N 3.131 111.946 108.800 0.027 0.000 2.461 919 G HA2 0.641 4.501 3.960 -0.166 0.000 0.323 919 G HA3 0.641 4.501 3.960 -0.166 0.000 0.323 919 G C -1.611 173.318 174.900 0.048 0.000 1.229 919 G CA -0.541 44.542 45.100 -0.028 0.000 0.941 919 G HN 0.615 nan 8.290 nan 0.000 0.477 920 V N 1.504 121.428 119.914 0.016 0.000 2.409 920 V HA 0.873 4.894 4.120 -0.166 0.000 0.291 920 V C 0.628 176.743 176.094 0.036 0.000 1.020 920 V CA -0.141 62.177 62.300 0.030 0.000 0.848 920 V CB 1.046 32.811 31.823 -0.097 0.000 0.990 920 V HN 1.071 nan 8.190 nan 0.000 0.430 921 G N 3.383 112.269 108.800 0.143 0.000 2.725 921 G HA2 0.547 4.407 3.960 -0.166 0.000 0.288 921 G HA3 0.547 4.407 3.960 -0.166 0.000 0.288 921 G C -0.065 174.986 174.900 0.253 0.000 1.399 921 G CA -0.728 44.457 45.100 0.142 0.000 0.859 921 G HN 0.506 nan 8.290 nan 0.000 0.479 922 R N -1.190 119.429 120.500 0.198 0.000 2.161 922 R HA 0.160 4.400 4.340 -0.166 0.000 0.213 922 R C 0.952 177.453 176.300 0.336 0.000 1.055 922 R CA 1.378 57.614 56.100 0.228 0.000 0.996 922 R CB 0.145 30.532 30.300 0.145 0.000 0.901 922 R HN 0.633 nan 8.270 nan 0.000 0.456 923 T N -3.957 110.777 114.554 0.300 0.000 2.906 923 T HA 0.200 4.450 4.350 -0.166 0.000 0.295 923 T C 0.437 175.163 174.700 0.043 0.000 1.075 923 T CA -0.894 61.379 62.100 0.288 0.000 1.005 923 T CB 1.500 70.458 68.868 0.150 0.000 1.136 923 T HN 0.024 nan 8.240 nan 0.000 0.498 924 F N 2.148 121.730 119.950 -0.612 0.000 2.091 924 F HA -0.029 4.397 4.527 -0.168 0.000 0.299 924 F C 2.534 178.194 175.800 -0.233 0.000 1.103 924 F CA 2.273 59.822 58.000 -0.752 0.000 1.228 924 F CB -0.876 37.580 39.000 -0.907 0.000 0.984 924 F HN 0.783 nan 8.300 nan 0.000 0.477 925 A N -0.175 122.613 122.820 -0.053 0.000 1.948 925 A HA -0.301 3.919 4.320 -0.166 0.000 0.220 925 A C 2.241 179.752 177.584 -0.121 0.000 1.177 925 A CA 2.067 54.060 52.037 -0.075 0.000 0.636 925 A CB -1.122 17.910 19.000 0.052 0.000 0.815 925 A HN 0.661 nan 8.150 nan 0.000 0.449 926 E N -0.402 119.752 120.200 -0.077 0.000 2.028 926 E HA -0.075 4.176 4.350 -0.166 0.000 0.191 926 E C 2.224 178.767 176.600 -0.094 0.000 0.988 926 E CA 0.965 57.333 56.400 -0.053 0.000 0.799 926 E CB -0.281 29.423 29.700 0.007 0.000 0.755 926 E HN 0.532 nan 8.360 nan 0.000 0.447 927 A N 0.617 123.373 122.820 -0.105 0.000 1.883 927 A HA -0.211 4.010 4.320 -0.166 0.000 0.217 927 A C 2.047 179.501 177.584 -0.218 0.000 1.186 927 A CA 1.470 53.449 52.037 -0.098 0.000 0.624 927 A CB -1.008 17.996 19.000 0.006 0.000 0.822 927 A HN 0.510 nan 8.150 nan 0.000 0.444 928 F N 0.707 120.334 119.950 -0.539 0.000 2.171 928 F HA -0.081 4.346 4.527 -0.168 0.000 0.300 928 F C 2.526 178.135 175.800 -0.318 0.000 1.090 928 F CA 1.276 58.947 58.000 -0.549 0.000 1.293 928 F CB -0.189 38.273 39.000 -0.898 0.000 1.013 928 F HN 0.251 nan 8.300 nan 0.000 0.486 929 A N -0.348 122.383 122.820 -0.148 0.000 2.015 929 A HA -0.168 4.052 4.320 -0.166 0.000 0.219 929 A C 2.157 179.605 177.584 -0.226 0.000 1.163 929 A CA 1.653 53.598 52.037 -0.153 0.000 0.646 929 A CB -0.511 18.435 19.000 -0.089 0.000 0.806 929 A HN 0.436 nan 8.150 nan 0.000 0.448 930 K N -0.525 119.746 120.400 -0.216 0.000 2.076 930 K HA 0.141 4.361 4.320 -0.166 0.000 0.204 930 K C 2.295 178.758 176.600 -0.228 0.000 1.051 930 K CA 0.865 57.040 56.287 -0.187 0.000 0.949 930 K CB -0.210 32.212 32.500 -0.129 0.000 0.726 930 K HN 0.392 nan 8.250 nan 0.000 0.443 931 A N 1.243 123.876 122.820 -0.312 0.000 1.898 931 A HA -0.235 3.985 4.320 -0.166 0.000 0.216 931 A C 2.127 179.469 177.584 -0.403 0.000 1.181 931 A CA 1.446 53.280 52.037 -0.339 0.000 0.620 931 A CB -0.493 18.264 19.000 -0.405 0.000 0.819 931 A HN 0.345 nan 8.150 nan 0.000 0.442 932 Q N -0.846 118.611 119.800 -0.571 0.000 2.020 932 Q HA -0.187 4.053 4.340 -0.166 0.000 0.202 932 Q C 2.019 177.850 176.000 -0.281 0.000 0.982 932 Q CA 1.782 57.297 55.803 -0.480 0.000 0.838 932 Q CB -0.270 28.144 28.738 -0.539 0.000 0.899 932 Q HN 0.521 nan 8.270 nan 0.000 0.423 933 L N 0.487 121.563 121.223 -0.245 0.000 2.079 933 L HA -0.055 4.186 4.340 -0.166 0.000 0.210 933 L C 2.133 178.933 176.870 -0.117 0.000 1.081 933 L CA 2.389 57.127 54.840 -0.170 0.000 0.752 933 L CB -0.982 40.967 42.059 -0.185 0.000 0.896 933 L HN 0.323 nan 8.230 nan 0.000 0.433 934 G N -1.417 107.303 108.800 -0.133 0.000 2.422 934 G HA2 -0.296 3.564 3.960 -0.166 0.000 0.218 934 G HA3 -0.296 3.564 3.960 -0.166 0.000 0.218 934 G C 1.500 176.351 174.900 -0.082 0.000 1.146 934 G CA 0.910 45.955 45.100 -0.092 0.000 0.769 934 G HN 0.592 nan 8.290 nan 0.000 0.547 935 S N -0.446 115.187 115.700 -0.111 0.000 2.660 935 S HA 0.036 4.406 4.470 -0.166 0.000 0.223 935 S C 1.066 175.635 174.600 -0.052 0.000 0.963 935 S CA 0.807 58.954 58.200 -0.088 0.000 0.932 935 S CB -0.555 62.578 63.200 -0.111 0.000 0.775 935 S HN 0.605 nan 8.310 nan 0.000 0.531 936 N N 0.012 118.689 118.700 -0.038 0.000 2.937 936 N HA -0.189 4.451 4.740 -0.166 0.000 0.248 936 N C -0.328 175.191 175.510 0.015 0.000 1.069 936 N CA 0.598 53.646 53.050 -0.003 0.000 0.822 936 N CB -1.649 36.839 38.487 0.001 0.000 1.122 936 N HN 0.533 nan 8.380 nan 0.000 0.554 937 S N -0.012 115.680 115.700 -0.014 0.000 2.562 937 S HA 0.191 4.561 4.470 -0.166 0.000 0.281 937 S C 1.537 176.152 174.600 0.026 0.000 1.333 937 S CA 0.778 58.982 58.200 0.006 0.000 1.052 937 S CB 1.077 64.180 63.200 -0.160 0.000 0.884 937 S HN 0.317 nan 8.310 nan 0.000 0.506 938 T N 2.862 117.481 114.554 0.108 0.000 3.163 938 T HA 0.222 4.472 4.350 -0.166 0.000 0.252 938 T C 0.539 175.309 174.700 0.117 0.000 1.056 938 T CA -0.439 61.732 62.100 0.119 0.000 0.947 938 T CB -0.351 68.612 68.868 0.158 0.000 1.016 938 T HN 0.562 nan 8.240 nan 0.000 0.554 939 M N 3.410 123.026 119.600 0.027 0.000 2.261 939 M HA 0.191 4.571 4.480 -0.166 0.000 0.350 939 M C -0.187 176.117 176.300 0.007 0.000 1.343 939 M CA -0.081 55.217 55.300 -0.004 0.000 1.003 939 M CB 0.158 32.579 32.600 -0.299 0.000 1.848 939 M HN 0.054 nan 8.290 nan 0.000 0.456 940 K N 4.637 125.068 120.400 0.051 0.000 2.211 940 K HA 0.345 4.566 4.320 -0.166 0.000 0.237 940 K C -0.048 176.586 176.600 0.057 0.000 1.002 940 K CA -0.771 55.502 56.287 -0.022 0.000 0.885 940 K CB 0.979 33.322 32.500 -0.261 0.000 1.136 940 K HN 0.623 nan 8.250 nan 0.000 0.448 941 K N 0.786 121.210 120.400 0.040 0.000 2.404 941 K HA 0.018 4.239 4.320 -0.166 0.000 0.194 941 K C 0.341 176.904 176.600 -0.062 0.000 1.023 941 K CA 0.335 56.687 56.287 0.109 0.000 1.094 941 K CB 0.183 32.743 32.500 0.100 0.000 0.841 941 K HN 0.615 nan 8.250 nan 0.000 0.523 942 H N -2.434 116.421 119.070 -0.358 0.000 2.960 942 H HA 0.600 5.057 4.556 -0.165 0.000 0.323 942 H C 0.030 174.919 175.328 -0.732 0.000 1.326 942 H CA -0.242 55.333 56.048 -0.788 0.000 1.124 942 H CB 1.386 30.948 29.762 -0.333 0.000 1.853 942 H HN 0.100 nan 8.280 nan 0.000 0.536 943 G N 0.442 108.907 108.800 -0.560 0.000 2.352 943 G HA2 -0.018 3.842 3.960 -0.166 0.000 0.324 943 G HA3 -0.018 3.842 3.960 -0.166 0.000 0.324 943 G C -1.421 173.552 174.900 0.121 0.000 1.249 943 G CA -0.513 44.522 45.100 -0.108 0.000 1.053 943 G HN 0.809 nan 8.290 nan 0.000 0.492 944 R N 0.193 120.883 120.500 0.317 0.000 2.514 944 R HA 0.715 4.955 4.340 -0.166 0.000 0.301 944 R C 0.145 176.803 176.300 0.597 0.000 0.962 944 R CA 0.077 56.437 56.100 0.433 0.000 0.882 944 R CB 1.303 31.772 30.300 0.282 0.000 1.143 944 R HN 1.368 nan 8.270 nan 0.000 0.452 945 A N 4.087 127.194 122.820 0.479 0.000 2.312 945 A HA 0.488 4.708 4.320 -0.166 0.000 0.328 945 A C -1.346 176.236 177.584 -0.003 0.000 1.158 945 A CA -0.721 51.451 52.037 0.224 0.000 0.821 945 A CB 1.216 20.290 19.000 0.123 0.000 1.170 945 A HN 0.593 nan 8.150 nan 0.000 0.490 946 L N 2.423 123.427 121.223 -0.365 0.000 2.305 946 L HA 0.705 4.946 4.340 -0.166 0.000 0.284 946 L C -1.543 175.118 176.870 -0.348 0.000 1.013 946 L CA -0.287 54.243 54.840 -0.517 0.000 0.819 946 L CB 1.028 42.437 42.059 -1.082 0.000 1.227 946 L HN 0.490 nan 8.230 nan 0.000 0.417 947 L N 4.648 125.746 121.223 -0.208 0.000 2.305 947 L HA 0.641 4.882 4.340 -0.166 0.000 0.284 947 L C 0.012 176.803 176.870 -0.131 0.000 1.013 947 L CA 0.028 54.768 54.840 -0.166 0.000 0.819 947 L CB 1.740 43.740 42.059 -0.098 0.000 1.227 947 L HN 0.684 nan 8.230 nan 0.000 0.417 948 S N 3.524 119.143 115.700 -0.134 0.000 2.383 948 S HA 0.625 4.995 4.470 -0.166 0.000 0.196 948 S C -0.658 173.898 174.600 -0.073 0.000 1.364 948 S CA -0.577 57.568 58.200 -0.091 0.000 1.212 948 S CB 0.397 63.537 63.200 -0.100 0.000 1.171 948 S HN 0.417 nan 8.310 nan 0.000 0.456 949 V N 2.855 122.740 119.914 -0.049 0.000 3.096 949 V HA 0.838 4.858 4.120 -0.166 0.000 0.319 949 V C -0.086 175.999 176.094 -0.014 0.000 1.103 949 V CA -1.390 60.890 62.300 -0.033 0.000 1.016 949 V CB 1.198 33.004 31.823 -0.028 0.000 1.090 949 V HN 0.841 nan 8.190 nan 0.000 0.449 950 R N 0.453 120.950 120.500 -0.004 0.000 2.577 950 R HA 0.488 4.729 4.340 -0.166 0.000 0.269 950 R C 0.955 177.265 176.300 0.016 0.000 1.084 950 R CA -0.468 55.633 56.100 0.001 0.000 1.163 950 R CB 0.173 30.474 30.300 0.002 0.000 1.100 950 R HN 0.658 nan 8.270 nan 0.000 0.547 951 E N 1.330 121.539 120.200 0.014 0.000 2.082 951 E HA -0.208 4.043 4.350 -0.166 0.000 0.215 951 E C 2.031 178.654 176.600 0.038 0.000 1.048 951 E CA 2.434 58.849 56.400 0.024 0.000 0.869 951 E CB -0.937 28.775 29.700 0.020 0.000 0.773 951 E HN 0.910 nan 8.360 nan 0.000 0.466 952 G N 0.075 108.905 108.800 0.049 0.000 2.527 952 G HA2 -0.218 3.642 3.960 -0.166 0.000 0.219 952 G HA3 -0.218 3.642 3.960 -0.166 0.000 0.219 952 G C 0.883 175.822 174.900 0.065 0.000 1.117 952 G CA 1.055 46.194 45.100 0.064 0.000 0.759 952 G HN 0.176 nan 8.290 nan 0.000 0.556 953 D N -0.530 119.905 120.400 0.058 0.000 2.449 953 D HA 0.102 4.643 4.640 -0.166 0.000 0.210 953 D C 2.139 178.472 176.300 0.055 0.000 1.094 953 D CA 0.008 54.047 54.000 0.065 0.000 0.846 953 D CB 0.136 40.969 40.800 0.054 0.000 1.003 953 D HN 0.194 nan 8.370 nan 0.000 0.504 954 K N 0.807 121.232 120.400 0.042 0.000 2.228 954 K HA -0.174 4.046 4.320 -0.166 0.000 0.205 954 K C 1.763 178.388 176.600 0.042 0.000 1.045 954 K CA 0.949 57.257 56.287 0.034 0.000 0.931 954 K CB 0.242 32.760 32.500 0.028 0.000 0.727 954 K HN 0.223 nan 8.250 nan 0.000 0.458 955 E N 0.421 120.652 120.200 0.052 0.000 2.033 955 E HA -0.100 4.150 4.350 -0.166 0.000 0.189 955 E C 1.998 178.646 176.600 0.080 0.000 0.979 955 E CA 0.778 57.211 56.400 0.056 0.000 0.802 955 E CB 0.209 29.939 29.700 0.050 0.000 0.763 955 E HN 0.212 nan 8.360 nan 0.000 0.449 956 R N 0.280 120.848 120.500 0.113 0.000 2.115 956 R HA -0.064 4.176 4.340 -0.166 0.000 0.230 956 R C 2.431 178.879 176.300 0.247 0.000 1.111 956 R CA 0.646 56.867 56.100 0.201 0.000 0.976 956 R CB -0.408 30.067 30.300 0.291 0.000 0.870 956 R HN 0.094 nan 8.270 nan 0.000 0.445 957 V N 0.988 120.974 119.914 0.120 0.000 2.439 957 V HA -0.272 3.749 4.120 -0.166 0.000 0.253 957 V C 2.042 178.164 176.094 0.045 0.000 1.074 957 V CA 1.825 64.141 62.300 0.025 0.000 1.076 957 V CB -0.215 31.606 31.823 -0.005 0.000 0.664 957 V HN 0.153 nan 8.190 nan 0.000 0.461 958 V N 0.438 120.397 119.914 0.076 0.000 2.278 958 V HA -0.318 3.702 4.120 -0.166 0.000 0.251 958 V C 2.408 178.559 176.094 0.095 0.000 1.062 958 V CA 2.740 65.081 62.300 0.069 0.000 1.038 958 V CB -0.861 31.000 31.823 0.063 0.000 0.646 958 V HN 0.731 nan 8.190 nan 0.000 0.447 959 D N -0.524 119.976 120.400 0.167 0.000 2.117 959 D HA -0.144 4.397 4.640 -0.166 0.000 0.198 959 D C 1.922 178.381 176.300 0.264 0.000 0.982 959 D CA 1.093 55.227 54.000 0.224 0.000 0.828 959 D CB -0.174 40.775 40.800 0.248 0.000 0.967 959 D HN 0.326 nan 8.370 nan 0.000 0.464 960 L N 0.353 121.686 121.223 0.184 0.000 2.083 960 L HA 0.025 4.265 4.340 -0.166 0.000 0.209 960 L C 2.094 178.928 176.870 -0.061 0.000 1.083 960 L CA 2.023 56.778 54.840 -0.143 0.000 0.752 960 L CB -0.861 40.742 42.059 -0.760 0.000 0.899 960 L HN 0.032 nan 8.230 nan 0.000 0.433 961 A N -0.368 122.440 122.820 -0.020 0.000 1.933 961 A HA -0.067 4.153 4.320 -0.166 0.000 0.218 961 A C 2.474 180.081 177.584 0.038 0.000 1.175 961 A CA 1.670 53.709 52.037 0.004 0.000 0.628 961 A CB -1.126 17.884 19.000 0.015 0.000 0.814 961 A HN 0.586 nan 8.150 nan 0.000 0.444 962 A N 0.050 122.905 122.820 0.057 0.000 1.883 962 A HA -0.198 4.023 4.320 -0.166 0.000 0.217 962 A C 2.105 179.734 177.584 0.074 0.000 1.186 962 A CA 1.936 54.014 52.037 0.068 0.000 0.624 962 A CB -0.504 18.542 19.000 0.076 0.000 0.822 962 A HN 0.542 nan 8.150 nan 0.000 0.444 963 K N -0.400 120.048 120.400 0.079 0.000 2.063 963 K HA -0.093 4.127 4.320 -0.166 0.000 0.208 963 K C 1.858 178.500 176.600 0.069 0.000 1.048 963 K CA 1.532 57.864 56.287 0.076 0.000 0.928 963 K CB -0.436 32.118 32.500 0.090 0.000 0.713 963 K HN 0.475 nan 8.250 nan 0.000 0.442 964 L N 0.768 122.012 121.223 0.034 0.000 2.083 964 L HA -0.200 4.040 4.340 -0.166 0.000 0.209 964 L C 2.334 179.332 176.870 0.213 0.000 1.083 964 L CA 1.019 55.890 54.840 0.053 0.000 0.752 964 L CB -0.359 41.662 42.059 -0.063 0.000 0.899 964 L HN 0.199 nan 8.230 nan 0.000 0.433 965 L N -0.424 120.886 121.223 0.145 0.000 2.056 965 L HA -0.219 4.022 4.340 -0.166 0.000 0.207 965 L C 2.718 179.664 176.870 0.127 0.000 1.078 965 L CA 1.238 56.163 54.840 0.143 0.000 0.749 965 L CB -0.384 41.733 42.059 0.097 0.000 0.901 965 L HN 0.218 nan 8.230 nan 0.000 0.433 966 K N -0.447 120.018 120.400 0.107 0.000 2.103 966 K HA -0.234 3.986 4.320 -0.166 0.000 0.207 966 K C 2.077 178.738 176.600 0.101 0.000 1.048 966 K CA 1.248 57.588 56.287 0.088 0.000 0.930 966 K CB 0.043 32.588 32.500 0.076 0.000 0.716 966 K HN 0.186 nan 8.250 nan 0.000 0.444 967 Q N -0.507 119.384 119.800 0.152 0.000 2.515 967 Q HA -0.033 4.207 4.340 -0.166 0.000 0.212 967 Q C 0.621 176.699 176.000 0.129 0.000 0.970 967 Q CA 1.043 56.951 55.803 0.175 0.000 0.941 967 Q CB 0.548 29.443 28.738 0.262 0.000 0.998 967 Q HN 0.633 nan 8.270 nan 0.000 0.518 968 G N 0.011 108.883 108.800 0.120 0.000 2.131 968 G HA2 -0.250 3.610 3.960 -0.166 0.000 0.223 968 G HA3 -0.250 3.610 3.960 -0.166 0.000 0.223 968 G C -0.197 174.692 174.900 -0.019 0.000 0.990 968 G CA -0.218 44.899 45.100 0.028 0.000 0.671 968 G HN 0.262 nan 8.290 nan 0.000 0.521 969 F N 0.845 120.831 119.950 0.060 0.000 2.371 969 F HA 0.557 4.985 4.527 -0.165 0.000 0.329 969 F C 1.053 176.898 175.800 0.075 0.000 1.107 969 F CA -0.290 57.756 58.000 0.076 0.000 1.137 969 F CB 0.905 39.952 39.000 0.079 0.000 1.214 969 F HN 0.058 nan 8.300 nan 0.000 0.536 970 E N 2.426 122.781 120.200 0.260 0.000 2.216 970 E HA 0.465 4.715 4.350 -0.166 0.000 0.279 970 E C -1.181 175.553 176.600 0.223 0.000 0.997 970 E CA -0.573 55.938 56.400 0.185 0.000 0.817 970 E CB 1.217 30.993 29.700 0.126 0.000 1.096 970 E HN 0.389 nan 8.360 nan 0.000 0.393 971 L N 2.581 123.901 121.223 0.161 0.000 2.334 971 L HA 0.504 4.745 4.340 -0.166 0.000 0.276 971 L C -0.367 176.577 176.870 0.122 0.000 1.014 971 L CA -0.999 53.927 54.840 0.143 0.000 0.815 971 L CB 1.305 43.419 42.059 0.093 0.000 1.268 971 L HN 0.357 nan 8.230 nan 0.000 0.428 972 D N 1.409 121.890 120.400 0.135 0.000 2.269 972 D HA 0.821 5.361 4.640 -0.166 0.000 0.244 972 D C -0.767 175.558 176.300 0.041 0.000 0.992 972 D CA -0.141 53.931 54.000 0.121 0.000 0.894 972 D CB 2.344 43.289 40.800 0.242 0.000 1.248 972 D HN 0.678 nan 8.370 nan 0.000 0.468 973 A N 0.313 123.148 122.820 0.026 0.000 2.574 973 A HA 0.603 4.823 4.320 -0.166 0.000 0.297 973 A C -0.299 177.286 177.584 0.002 0.000 1.062 973 A CA -0.845 51.188 52.037 -0.006 0.000 0.686 973 A CB 1.020 20.010 19.000 -0.016 0.000 1.285 973 A HN 0.454 nan 8.150 nan 0.000 0.403 974 T N -0.648 113.905 114.554 -0.002 0.000 2.913 974 T HA 0.358 4.609 4.350 -0.166 0.000 0.297 974 T C 1.129 175.867 174.700 0.063 0.000 1.029 974 T CA 0.732 62.850 62.100 0.030 0.000 1.104 974 T CB 0.543 69.422 68.868 0.019 0.000 0.964 974 T HN 0.864 nan 8.240 nan 0.000 0.532 975 H N 2.922 121.989 119.070 -0.005 0.000 2.291 975 H HA -0.276 4.180 4.556 -0.166 0.000 0.275 975 H C 2.370 177.699 175.328 0.002 0.000 1.115 975 H CA 3.027 59.076 56.048 0.002 0.000 1.200 975 H CB -0.916 28.850 29.762 0.007 0.000 1.444 975 H HN 0.872 nan 8.280 nan 0.000 0.576 976 G N -1.872 107.092 108.800 0.273 0.000 2.513 976 G HA2 -0.339 3.521 3.960 -0.166 0.000 0.219 976 G HA3 -0.339 3.521 3.960 -0.166 0.000 0.219 976 G C 1.750 176.688 174.900 0.063 0.000 1.160 976 G CA 1.614 46.821 45.100 0.178 0.000 0.767 976 G HN 0.537 nan 8.290 nan 0.000 0.571 977 T N 1.316 115.890 114.554 0.033 0.000 2.904 977 T HA 0.164 4.415 4.350 -0.166 0.000 0.267 977 T C 2.785 177.477 174.700 -0.014 0.000 1.059 977 T CA 1.253 63.356 62.100 0.005 0.000 1.137 977 T CB -0.251 68.612 68.868 -0.009 0.000 0.879 977 T HN 0.393 nan 8.240 nan 0.000 0.467 978 A N 1.692 124.490 122.820 -0.035 0.000 1.898 978 A HA -0.014 4.207 4.320 -0.166 0.000 0.216 978 A C 2.233 179.773 177.584 -0.074 0.000 1.181 978 A CA 0.909 52.910 52.037 -0.059 0.000 0.620 978 A CB -0.631 18.315 19.000 -0.089 0.000 0.819 978 A HN 0.371 nan 8.150 nan 0.000 0.442 979 I N -0.031 120.479 120.570 -0.101 0.000 2.163 979 I HA -0.213 3.857 4.170 -0.166 0.000 0.243 979 I C 2.509 178.608 176.117 -0.029 0.000 1.085 979 I CA 1.428 62.678 61.300 -0.083 0.000 1.347 979 I CB -1.134 36.836 38.000 -0.051 0.000 1.044 979 I HN 0.156 nan 8.210 nan 0.000 0.408 980 V N 0.982 120.891 119.914 -0.009 0.000 2.343 980 V HA -0.251 3.769 4.120 -0.166 0.000 0.247 980 V C 2.576 178.672 176.094 0.004 0.000 1.051 980 V CA 1.347 63.649 62.300 0.004 0.000 1.036 980 V CB -0.457 31.375 31.823 0.015 0.000 0.654 980 V HN 0.320 nan 8.190 nan 0.000 0.451 981 L N 0.296 121.519 121.223 -0.001 0.000 1.994 981 L HA -0.106 4.135 4.340 -0.166 0.000 0.208 981 L C 2.727 179.599 176.870 0.003 0.000 1.071 981 L CA 1.933 56.776 54.840 0.005 0.000 0.745 981 L CB -1.356 40.704 42.059 0.003 0.000 0.892 981 L HN 0.463 nan 8.230 nan 0.000 0.431 982 G N -0.416 108.379 108.800 -0.008 0.000 2.469 982 G HA2 -0.267 3.593 3.960 -0.166 0.000 0.220 982 G HA3 -0.267 3.593 3.960 -0.166 0.000 0.220 982 G C 1.360 176.259 174.900 -0.002 0.000 1.136 982 G CA 0.662 45.757 45.100 -0.008 0.000 0.759 982 G HN 0.448 nan 8.290 nan 0.000 0.562 983 E N 0.330 120.529 120.200 -0.001 0.000 2.401 983 E HA 0.029 4.280 4.350 -0.166 0.000 0.199 983 E C 2.302 178.908 176.600 0.010 0.000 1.023 983 E CA 0.520 56.923 56.400 0.005 0.000 0.859 983 E CB -0.029 29.675 29.700 0.008 0.000 0.780 983 E HN 0.479 nan 8.360 nan 0.000 0.523 984 A N -0.300 122.527 122.820 0.012 0.000 2.390 984 A HA 0.419 4.639 4.320 -0.166 0.000 0.232 984 A C 1.441 179.035 177.584 0.017 0.000 1.233 984 A CA 0.536 52.584 52.037 0.017 0.000 0.907 984 A CB 0.481 19.495 19.000 0.023 0.000 0.967 984 A HN 0.259 nan 8.150 nan 0.000 0.512 985 G N -0.841 107.968 108.800 0.014 0.000 2.184 985 G HA2 -0.150 3.710 3.960 -0.166 0.000 0.206 985 G HA3 -0.150 3.710 3.960 -0.166 0.000 0.206 985 G C -0.077 174.833 174.900 0.018 0.000 0.995 985 G CA 0.023 45.132 45.100 0.015 0.000 0.651 985 G HN 0.391 nan 8.290 nan 0.000 0.511 986 I N 1.611 122.191 120.570 0.017 0.000 2.355 986 I HA 0.319 4.389 4.170 -0.166 0.000 0.288 986 I C -0.218 175.907 176.117 0.013 0.000 0.999 986 I CA -0.603 60.709 61.300 0.019 0.000 1.163 986 I CB 1.496 39.511 38.000 0.025 0.000 1.316 986 I HN 0.082 nan 8.210 nan 0.000 0.454 987 N N 8.230 126.939 118.700 0.015 0.000 2.546 987 N HA 0.390 5.030 4.740 -0.166 0.000 0.238 987 N C -2.407 173.114 175.510 0.019 0.000 0.984 987 N CA -1.321 51.734 53.050 0.010 0.000 0.935 987 N CB 1.194 39.686 38.487 0.008 0.000 1.122 987 N HN 0.338 nan 8.380 nan 0.000 0.510 988 P HA 0.216 nan 4.420 nan 0.000 0.281 988 P C -0.770 176.546 177.300 0.027 0.000 1.281 988 P CA -0.608 62.510 63.100 0.030 0.000 0.811 988 P CB 1.195 32.908 31.700 0.021 0.000 1.154 989 R N 1.006 121.532 120.500 0.044 0.000 2.234 989 R HA 0.319 4.559 4.340 -0.166 0.000 0.324 989 R C -0.482 175.840 176.300 0.036 0.000 1.054 989 R CA -0.703 55.420 56.100 0.038 0.000 0.912 989 R CB -0.022 30.307 30.300 0.048 0.000 1.030 989 R HN 0.332 nan 8.270 nan 0.000 0.455 990 L N 5.842 127.075 121.223 0.017 0.000 2.410 990 L HA 0.220 4.461 4.340 -0.166 0.000 0.273 990 L C -0.630 176.259 176.870 0.032 0.000 1.152 990 L CA 0.296 55.144 54.840 0.012 0.000 0.855 990 L CB 1.395 43.448 42.059 -0.010 0.000 1.129 990 L HN 0.496 nan 8.230 nan 0.000 0.463 991 V N 5.436 125.376 119.914 0.043 0.000 2.919 991 V HA 0.546 4.566 4.120 -0.166 0.000 0.316 991 V C -0.335 175.783 176.094 0.040 0.000 1.077 991 V CA -0.756 61.577 62.300 0.055 0.000 0.977 991 V CB 2.148 34.030 31.823 0.098 0.000 1.039 991 V HN 0.958 nan 8.190 nan 0.000 0.441 992 N N 3.083 121.804 118.700 0.035 0.000 2.438 992 N HA 0.400 5.040 4.740 -0.166 0.000 0.282 992 N C -0.780 174.717 175.510 -0.022 0.000 1.037 992 N CA -0.665 52.386 53.050 0.003 0.000 0.942 992 N CB 1.165 39.658 38.487 0.009 0.000 1.136 992 N HN 0.664 nan 8.380 nan 0.000 0.481 993 K N 0.701 121.015 120.400 -0.144 0.000 2.234 993 K HA 0.036 4.256 4.320 -0.166 0.000 0.251 993 K C 0.989 177.393 176.600 -0.327 0.000 1.011 993 K CA -0.526 55.609 56.287 -0.254 0.000 0.889 993 K CB 0.535 32.834 32.500 -0.335 0.000 1.011 993 K HN 0.203 nan 8.250 nan 0.000 0.505 994 V N 1.328 121.057 119.914 -0.308 0.000 2.287 994 V HA -0.280 3.740 4.120 -0.166 0.000 0.248 994 V C 2.061 178.064 176.094 -0.151 0.000 1.053 994 V CA 2.305 64.408 62.300 -0.327 0.000 1.027 994 V CB -1.098 30.454 31.823 -0.451 0.000 0.646 994 V HN 0.863 nan 8.190 nan 0.000 0.447 995 H N 0.046 119.098 119.070 -0.030 0.000 2.546 995 H HA 0.007 4.463 4.556 -0.167 0.000 0.277 995 H C 1.772 177.114 175.328 0.022 0.000 1.004 995 H CA 1.256 57.303 56.048 -0.002 0.000 1.231 995 H CB -0.406 29.343 29.762 -0.023 0.000 1.382 995 H HN 0.546 nan 8.280 nan 0.000 0.580 996 E N 0.341 120.302 120.200 -0.398 0.000 2.385 996 E HA 0.290 4.541 4.350 -0.166 0.000 0.194 996 E C 0.795 177.372 176.600 -0.038 0.000 1.013 996 E CA 0.310 56.627 56.400 -0.140 0.000 0.866 996 E CB 0.756 30.367 29.700 -0.148 0.000 0.832 996 E HN 0.579 nan 8.360 nan 0.000 0.500 997 G N 0.434 109.227 108.800 -0.010 0.000 2.321 997 G HA2 0.264 4.124 3.960 -0.166 0.000 0.298 997 G HA3 0.264 4.124 3.960 -0.166 0.000 0.298 997 G C -1.723 173.179 174.900 0.003 0.000 1.385 997 G CA -1.153 43.952 45.100 0.008 0.000 0.856 997 G HN -0.064 nan 8.290 nan 0.000 0.584 998 R N 0.878 121.347 120.500 -0.051 0.000 2.439 998 R HA 0.553 4.793 4.340 -0.166 0.000 0.310 998 R C -2.378 173.855 176.300 -0.112 0.000 0.955 998 R CA -1.304 54.707 56.100 -0.148 0.000 0.853 998 R CB 2.051 32.255 30.300 -0.160 0.000 1.171 998 R HN 0.426 nan 8.270 nan 0.000 0.449 999 P HA 0.215 nan 4.420 nan 0.000 0.279 999 P C -0.834 176.373 177.300 -0.155 0.000 1.252 999 P CA -0.422 62.539 63.100 -0.232 0.000 0.811 999 P CB 0.716 32.311 31.700 -0.174 0.000 1.035 1000 H N -1.122 117.930 119.070 -0.031 0.000 2.812 1000 H HA 0.423 4.880 4.556 -0.165 0.000 0.355 1000 H C 0.962 176.287 175.328 -0.005 0.000 1.207 1000 H CA -0.978 55.050 56.048 -0.032 0.000 1.217 1000 H CB 1.057 30.784 29.762 -0.058 0.000 1.874 1000 H HN 0.084 nan 8.280 nan 0.000 0.581 1001 I N -0.072 120.656 120.570 0.263 0.000 2.093 1001 I HA -0.393 3.677 4.170 -0.166 0.000 0.239 1001 I C 2.830 179.086 176.117 0.232 0.000 1.026 1001 I CA 1.967 63.389 61.300 0.204 0.000 1.295 1001 I CB -0.547 37.491 38.000 0.063 0.000 1.007 1001 I HN 0.699 nan 8.210 nan 0.000 0.401 1002 Q N 0.953 120.887 119.800 0.222 0.000 2.133 1002 Q HA -0.269 3.971 4.340 -0.166 0.000 0.208 1002 Q C 1.716 177.824 176.000 0.179 0.000 0.991 1002 Q CA 2.163 58.055 55.803 0.148 0.000 0.867 1002 Q CB -0.359 28.363 28.738 -0.027 0.000 0.911 1002 Q HN 0.559 nan 8.270 nan 0.000 0.417 1003 D N -0.171 120.412 120.400 0.306 0.000 2.077 1003 D HA -0.164 4.377 4.640 -0.166 0.000 0.193 1003 D C 2.099 178.359 176.300 -0.067 0.000 0.989 1003 D CA 1.120 55.120 54.000 -0.001 0.000 0.831 1003 D CB -0.149 40.522 40.800 -0.216 0.000 0.979 1003 D HN 0.305 nan 8.370 nan 0.000 0.449 1004 R N 0.512 120.989 120.500 -0.037 0.000 2.103 1004 R HA -0.143 4.097 4.340 -0.166 0.000 0.242 1004 R C 2.632 178.839 176.300 -0.154 0.000 1.142 1004 R CA 0.864 56.881 56.100 -0.137 0.000 0.960 1004 R CB -0.418 29.809 30.300 -0.123 0.000 0.858 1004 R HN 0.287 nan 8.270 nan 0.000 0.439 1005 I N 1.004 121.591 120.570 0.028 0.000 2.099 1005 I HA -0.352 3.719 4.170 -0.166 0.000 0.239 1005 I C 2.627 178.572 176.117 -0.286 0.000 1.066 1005 I CA 1.585 62.910 61.300 0.042 0.000 1.324 1005 I CB -0.399 37.659 38.000 0.097 0.000 1.037 1005 I HN 0.170 nan 8.210 nan 0.000 0.401 1006 K N 1.301 121.432 120.400 -0.449 0.000 2.113 1006 K HA -0.262 3.958 4.320 -0.166 0.000 0.208 1006 K C 1.696 177.972 176.600 -0.540 0.000 1.047 1006 K CA 1.958 57.726 56.287 -0.864 0.000 0.928 1006 K CB -0.281 31.939 32.500 -0.468 0.000 0.716 1006 K HN 0.322 nan 8.250 nan 0.000 0.446 1007 N N -0.426 118.099 118.700 -0.291 0.000 2.314 1007 N HA -0.012 4.628 4.740 -0.166 0.000 0.200 1007 N C -0.102 175.320 175.510 -0.148 0.000 1.135 1007 N CA 0.678 53.617 53.050 -0.185 0.000 0.835 1007 N CB 0.227 38.625 38.487 -0.149 0.000 0.989 1007 N HN 0.440 nan 8.380 nan 0.000 0.478 1008 G N 1.698 110.404 108.800 -0.156 0.000 2.273 1008 G HA2 -0.248 3.612 3.960 -0.166 0.000 0.280 1008 G HA3 -0.248 3.612 3.960 -0.166 0.000 0.280 1008 G C 0.515 175.351 174.900 -0.106 0.000 1.047 1008 G CA 0.256 45.319 45.100 -0.062 0.000 0.869 1008 G HN 0.553 nan 8.290 nan 0.000 0.502 1009 E N -1.580 118.462 120.200 -0.264 0.000 2.358 1009 E HA 0.041 4.292 4.350 -0.166 0.000 0.195 1009 E C 0.124 176.424 176.600 -0.501 0.000 1.010 1009 E CA 0.698 56.830 56.400 -0.447 0.000 0.856 1009 E CB 0.252 29.530 29.700 -0.703 0.000 0.795 1009 E HN 0.683 nan 8.360 nan 0.000 0.504 1010 Y N -0.401 119.933 120.300 0.057 0.000 2.485 1010 Y HA 0.135 4.585 4.550 -0.165 0.000 0.345 1010 Y C 1.278 177.260 175.900 0.137 0.000 0.998 1010 Y CA -0.892 57.268 58.100 0.099 0.000 1.059 1010 Y CB 1.809 40.311 38.460 0.070 0.000 1.234 1010 Y HN -0.173 nan 8.280 nan 0.000 0.461 1011 T N -2.410 112.393 114.554 0.415 0.000 3.010 1011 T HA 0.252 4.502 4.350 -0.166 0.000 0.257 1011 T C -0.706 174.255 174.700 0.435 0.000 1.020 1011 T CA 0.027 62.330 62.100 0.337 0.000 0.938 1011 T CB -0.079 68.917 68.868 0.213 0.000 1.049 1011 T HN 0.463 nan 8.240 nan 0.000 0.522 1012 Y N 0.159 120.595 120.300 0.226 0.000 2.521 1012 Y HA 0.633 5.084 4.550 -0.166 0.000 0.332 1012 Y C -2.428 173.454 175.900 -0.030 0.000 1.121 1012 Y CA -2.555 55.602 58.100 0.093 0.000 1.037 1012 Y CB 1.360 39.783 38.460 -0.060 0.000 1.330 1012 Y HN 0.146 nan 8.280 nan 0.000 0.452 1013 I N 6.714 126.767 120.570 -0.862 0.000 2.569 1013 I HA 0.418 4.488 4.170 -0.166 0.000 0.290 1013 I C -1.579 173.998 176.117 -0.902 0.000 1.088 1013 I CA -0.924 59.918 61.300 -0.764 0.000 1.047 1013 I CB 2.165 39.913 38.000 -0.420 0.000 1.237 1013 I HN 0.494 nan 8.210 nan 0.000 0.421 1014 I N 7.151 127.312 120.570 -0.683 0.000 2.411 1014 I HA 0.412 4.482 4.170 -0.166 0.000 0.284 1014 I C -1.050 174.920 176.117 -0.246 0.000 1.012 1014 I CA -0.492 60.559 61.300 -0.415 0.000 1.119 1014 I CB 0.910 38.730 38.000 -0.300 0.000 1.261 1014 I HN 0.580 nan 8.210 nan 0.000 0.448 1015 N N 5.633 124.235 118.700 -0.164 0.000 2.504 1015 N HA 0.399 5.039 4.740 -0.166 0.000 0.280 1015 N C -1.362 174.111 175.510 -0.062 0.000 1.052 1015 N CA -0.184 52.792 53.050 -0.123 0.000 0.887 1015 N CB 1.505 39.899 38.487 -0.154 0.000 1.323 1015 N HN 0.640 nan 8.380 nan 0.000 0.509 1016 T N 0.333 114.858 114.554 -0.048 0.000 2.841 1016 T HA 0.603 4.853 4.350 -0.166 0.000 0.283 1016 T C -0.478 174.209 174.700 -0.021 0.000 1.000 1016 T CA -0.385 61.706 62.100 -0.015 0.000 0.977 1016 T CB 1.800 70.673 68.868 0.009 0.000 0.979 1016 T HN 0.244 nan 8.240 nan 0.000 0.446 1017 T N 1.980 116.525 114.554 -0.015 0.000 2.912 1017 T HA 0.665 4.915 4.350 -0.166 0.000 0.299 1017 T C -0.943 173.736 174.700 -0.035 0.000 1.052 1017 T CA -0.756 61.323 62.100 -0.036 0.000 0.996 1017 T CB 1.885 70.723 68.868 -0.050 0.000 1.070 1017 T HN 0.692 nan 8.240 nan 0.000 0.465 1018 S N 1.320 116.970 115.700 -0.085 0.000 2.779 1018 S HA 0.754 5.125 4.470 -0.166 0.000 0.293 1018 S C -0.322 174.069 174.600 -0.349 0.000 1.150 1018 S CA 0.043 58.151 58.200 -0.153 0.000 1.057 1018 S CB 0.506 63.645 63.200 -0.101 0.000 1.021 1018 S HN 1.389 nan 8.310 nan 0.000 0.485 1019 G N 3.467 112.045 108.800 -0.371 0.000 3.101 1019 G HA2 -0.021 3.839 3.960 -0.166 0.000 0.672 1019 G HA3 -0.021 3.839 3.960 -0.166 0.000 0.672 1019 G C -0.043 174.753 174.900 -0.173 0.000 1.331 1019 G CA -0.325 44.536 45.100 -0.398 0.000 0.925 1019 G HN 0.650 nan 8.290 nan 0.000 0.596 1020 R N 1.246 121.684 120.500 -0.105 0.000 2.159 1020 R HA -0.205 4.035 4.340 -0.166 0.000 0.249 1020 R C 2.528 178.795 176.300 -0.056 0.000 1.136 1020 R CA 3.039 59.113 56.100 -0.043 0.000 0.951 1020 R CB -0.299 30.004 30.300 0.005 0.000 0.876 1020 R HN 0.689 nan 8.270 nan 0.000 0.440 1021 R N -0.887 119.570 120.500 -0.071 0.000 2.055 1021 R HA -0.008 4.232 4.340 -0.166 0.000 0.228 1021 R C 2.168 178.422 176.300 -0.076 0.000 1.143 1021 R CA 1.531 57.591 56.100 -0.068 0.000 0.945 1021 R CB -0.583 29.676 30.300 -0.068 0.000 0.841 1021 R HN 0.311 nan 8.270 nan 0.000 0.429 1022 A N 1.021 123.785 122.820 -0.093 0.000 1.958 1022 A HA -0.228 3.992 4.320 -0.166 0.000 0.221 1022 A C 2.182 179.720 177.584 -0.077 0.000 1.178 1022 A CA 1.861 53.846 52.037 -0.087 0.000 0.642 1022 A CB -0.735 18.203 19.000 -0.104 0.000 0.816 1022 A HN 0.448 nan 8.150 nan 0.000 0.453 1023 I N -0.760 119.763 120.570 -0.078 0.000 2.113 1023 I HA -0.272 3.799 4.170 -0.166 0.000 0.238 1023 I C 2.514 178.594 176.117 -0.062 0.000 1.070 1023 I CA 1.849 63.109 61.300 -0.066 0.000 1.332 1023 I CB -0.430 37.536 38.000 -0.057 0.000 1.044 1023 I HN 0.415 nan 8.210 nan 0.000 0.402 1024 E N 0.470 120.637 120.200 -0.056 0.000 2.171 1024 E HA -0.252 3.999 4.350 -0.166 0.000 0.197 1024 E C 1.451 178.018 176.600 -0.054 0.000 0.997 1024 E CA 1.311 57.681 56.400 -0.050 0.000 0.810 1024 E CB -0.101 29.574 29.700 -0.042 0.000 0.738 1024 E HN 0.493 nan 8.360 nan 0.000 0.467 1025 D N -0.462 119.903 120.400 -0.059 0.000 2.347 1025 D HA -0.025 4.515 4.640 -0.166 0.000 0.213 1025 D C 1.489 177.761 176.300 -0.047 0.000 0.985 1025 D CA 0.794 54.761 54.000 -0.055 0.000 0.879 1025 D CB 0.278 41.039 40.800 -0.065 0.000 0.919 1025 D HN 0.146 nan 8.370 nan 0.000 0.526 1026 S N -0.355 115.309 115.700 -0.060 0.000 2.523 1026 S HA 0.086 4.457 4.470 -0.166 0.000 0.217 1026 S C 1.693 176.237 174.600 -0.094 0.000 0.996 1026 S CA -0.523 57.633 58.200 -0.072 0.000 0.921 1026 S CB 0.872 64.026 63.200 -0.077 0.000 0.829 1026 S HN 0.067 nan 8.310 nan 0.000 0.495 1027 R N 1.846 122.294 120.500 -0.085 0.000 2.162 1027 R HA -0.183 4.057 4.340 -0.166 0.000 0.245 1027 R C 2.142 178.377 176.300 -0.108 0.000 1.129 1027 R CA 2.192 58.235 56.100 -0.095 0.000 0.940 1027 R CB -1.164 29.093 30.300 -0.072 0.000 0.875 1027 R HN 0.366 nan 8.270 nan 0.000 0.437 1028 V N 1.527 121.389 119.914 -0.087 0.000 2.363 1028 V HA -0.278 3.742 4.120 -0.166 0.000 0.254 1028 V C 2.299 178.330 176.094 -0.106 0.000 1.074 1028 V CA 2.255 64.505 62.300 -0.084 0.000 1.069 1028 V CB -0.311 31.463 31.823 -0.081 0.000 0.659 1028 V HN 0.405 nan 8.190 nan 0.000 0.455 1029 I N -0.281 120.210 120.570 -0.132 0.000 2.127 1029 I HA -0.270 3.801 4.170 -0.166 0.000 0.241 1029 I C 2.818 178.780 176.117 -0.258 0.000 1.075 1029 I CA 2.299 63.498 61.300 -0.167 0.000 1.334 1029 I CB -0.657 37.238 38.000 -0.175 0.000 1.040 1029 I HN 0.309 nan 8.210 nan 0.000 0.405 1030 R N 0.650 120.959 120.500 -0.319 0.000 2.081 1030 R HA -0.126 4.114 4.340 -0.166 0.000 0.235 1030 R C 2.456 178.527 176.300 -0.381 0.000 1.131 1030 R CA 1.175 56.970 56.100 -0.508 0.000 0.960 1030 R CB -0.387 29.675 30.300 -0.397 0.000 0.856 1030 R HN 0.441 nan 8.270 nan 0.000 0.436 1031 R N 0.359 120.737 120.500 -0.205 0.000 2.075 1031 R HA -0.020 4.221 4.340 -0.166 0.000 0.232 1031 R C 2.469 178.732 176.300 -0.062 0.000 1.126 1031 R CA 1.513 57.546 56.100 -0.112 0.000 0.963 1031 R CB -0.320 29.941 30.300 -0.065 0.000 0.858 1031 R HN 0.126 nan 8.270 nan 0.000 0.435 1032 S N 1.264 116.946 115.700 -0.029 0.000 2.359 1032 S HA -0.170 4.200 4.470 -0.166 0.000 0.224 1032 S C 2.202 176.908 174.600 0.175 0.000 1.035 1032 S CA 1.347 59.623 58.200 0.128 0.000 1.018 1032 S CB -0.303 62.981 63.200 0.140 0.000 0.876 1032 S HN 0.489 nan 8.310 nan 0.000 0.448 1033 A N 1.433 124.246 122.820 -0.012 0.000 1.883 1033 A HA -0.105 4.115 4.320 -0.166 0.000 0.217 1033 A C 2.160 179.795 177.584 0.085 0.000 1.186 1033 A CA 1.634 53.661 52.037 -0.018 0.000 0.624 1033 A CB -0.837 17.941 19.000 -0.371 0.000 0.822 1033 A HN 0.406 nan 8.150 nan 0.000 0.444 1034 L N -0.260 120.968 121.223 0.007 0.000 2.017 1034 L HA -0.206 4.035 4.340 -0.166 0.000 0.208 1034 L C 2.593 179.498 176.870 0.059 0.000 1.073 1034 L CA 2.709 57.649 54.840 0.167 0.000 0.745 1034 L CB -0.803 41.336 42.059 0.133 0.000 0.894 1034 L HN 0.621 nan 8.230 nan 0.000 0.432 1035 Q N -1.663 118.115 119.800 -0.036 0.000 2.096 1035 Q HA -0.259 3.981 4.340 -0.166 0.000 0.204 1035 Q C 1.687 177.433 176.000 -0.422 0.000 0.982 1035 Q CA 2.123 57.789 55.803 -0.228 0.000 0.850 1035 Q CB -0.273 28.284 28.738 -0.302 0.000 0.901 1035 Q HN 0.665 nan 8.270 nan 0.000 0.422 1036 Y N 0.495 120.830 120.300 0.057 0.000 2.490 1036 Y HA 0.095 4.546 4.550 -0.165 0.000 0.281 1036 Y C 0.029 175.985 175.900 0.092 0.000 1.174 1036 Y CA 0.250 58.391 58.100 0.069 0.000 1.295 1036 Y CB 0.690 39.191 38.460 0.068 0.000 1.062 1036 Y HN 0.023 nan 8.280 nan 0.000 0.522 1037 K N -1.482 119.018 120.400 0.166 0.000 3.192 1037 K HA -0.148 4.072 4.320 -0.166 0.000 0.278 1037 K C -0.712 176.022 176.600 0.224 0.000 1.164 1037 K CA 0.393 56.784 56.287 0.173 0.000 0.816 1037 K CB -2.716 29.857 32.500 0.122 0.000 1.256 1037 K HN 0.113 nan 8.250 nan 0.000 0.497 1038 V N 1.836 121.908 119.914 0.263 0.000 2.432 1038 V HA 0.113 4.134 4.120 -0.166 0.000 0.275 1038 V C 0.849 177.134 176.094 0.319 0.000 1.043 1038 V CA -0.640 61.828 62.300 0.281 0.000 0.925 1038 V CB 0.999 32.977 31.823 0.259 0.000 0.985 1038 V HN 0.333 nan 8.190 nan 0.000 0.466 1039 H N 5.363 124.578 119.070 0.242 0.000 2.928 1039 H HA 0.333 4.790 4.556 -0.165 0.000 0.338 1039 H C -0.651 174.835 175.328 0.263 0.000 1.047 1039 H CA 0.239 56.414 56.048 0.210 0.000 1.435 1039 H CB 0.198 30.084 29.762 0.207 0.000 1.428 1039 H HN 0.674 nan 8.280 nan 0.000 0.590 1040 Y N 1.313 121.111 120.300 -0.836 0.000 2.571 1040 Y HA 0.486 4.934 4.550 -0.171 0.000 0.341 1040 Y C -1.597 174.031 175.900 -0.454 0.000 1.076 1040 Y CA -1.345 56.427 58.100 -0.546 0.000 1.029 1040 Y CB 1.336 39.602 38.460 -0.323 0.000 1.308 1040 Y HN 0.449 nan 8.280 nan 0.000 0.461 1041 D N 0.963 121.289 120.400 -0.124 0.000 2.433 1041 D HA 0.359 4.900 4.640 -0.166 0.000 0.236 1041 D C 0.075 176.412 176.300 0.061 0.000 1.026 1041 D CA -0.369 53.622 54.000 -0.015 0.000 0.884 1041 D CB 2.241 43.110 40.800 0.115 0.000 1.384 1041 D HN 0.799 nan 8.370 nan 0.000 0.477 1042 T N -3.233 111.373 114.554 0.086 0.000 3.132 1042 T HA 0.217 4.468 4.350 -0.166 0.000 0.274 1042 T C 0.473 175.218 174.700 0.075 0.000 1.011 1042 T CA -0.264 61.887 62.100 0.086 0.000 0.899 1042 T CB -0.127 68.810 68.868 0.114 0.000 1.089 1042 T HN 0.413 nan 8.240 nan 0.000 0.543 1043 T N -0.998 113.606 114.554 0.082 0.000 2.909 1043 T HA 0.628 4.879 4.350 -0.166 0.000 0.299 1043 T C 0.505 175.256 174.700 0.085 0.000 1.073 1043 T CA -0.874 61.285 62.100 0.097 0.000 0.999 1043 T CB 1.881 70.826 68.868 0.129 0.000 1.098 1043 T HN -0.077 nan 8.240 nan 0.000 0.477 1044 L N 2.066 123.344 121.223 0.092 0.000 2.072 1044 L HA 0.117 4.357 4.340 -0.166 0.000 0.205 1044 L C 2.215 179.193 176.870 0.180 0.000 1.079 1044 L CA 1.663 56.549 54.840 0.075 0.000 0.752 1044 L CB -0.933 41.203 42.059 0.128 0.000 0.906 1044 L HN 0.720 nan 8.230 nan 0.000 0.436 1045 N N -0.047 118.796 118.700 0.238 0.000 2.149 1045 N HA -0.148 4.492 4.740 -0.166 0.000 0.188 1045 N C 1.784 177.419 175.510 0.210 0.000 1.019 1045 N CA 1.405 54.620 53.050 0.275 0.000 0.857 1045 N CB -0.812 37.805 38.487 0.216 0.000 0.997 1045 N HN 0.494 nan 8.380 nan 0.000 0.426 1046 G N 0.107 109.005 108.800 0.165 0.000 2.418 1046 G HA2 -0.168 3.693 3.960 -0.166 0.000 0.217 1046 G HA3 -0.168 3.693 3.960 -0.166 0.000 0.217 1046 G C 1.634 176.609 174.900 0.125 0.000 1.158 1046 G CA 1.078 46.271 45.100 0.156 0.000 0.771 1046 G HN 0.435 nan 8.290 nan 0.000 0.545 1047 G N 0.365 109.215 108.800 0.084 0.000 2.418 1047 G HA2 -0.134 3.726 3.960 -0.166 0.000 0.217 1047 G HA3 -0.134 3.726 3.960 -0.166 0.000 0.217 1047 G C 1.595 176.440 174.900 -0.093 0.000 1.158 1047 G CA 0.764 45.877 45.100 0.021 0.000 0.771 1047 G HN 0.322 nan 8.290 nan 0.000 0.545 1048 F N 1.785 121.741 119.950 0.010 0.000 2.102 1048 F HA 0.048 4.475 4.527 -0.167 0.000 0.298 1048 F C 3.068 178.808 175.800 -0.101 0.000 1.105 1048 F CA 0.937 58.919 58.000 -0.030 0.000 1.239 1048 F CB -0.637 38.357 39.000 -0.011 0.000 0.991 1048 F HN 0.241 nan 8.300 nan 0.000 0.474 1049 A N -0.469 122.334 122.820 -0.030 0.000 1.883 1049 A HA -0.218 4.002 4.320 -0.166 0.000 0.217 1049 A C 2.254 179.598 177.584 -0.401 0.000 1.186 1049 A CA 2.435 54.205 52.037 -0.445 0.000 0.624 1049 A CB -1.406 16.876 19.000 -1.196 0.000 0.822 1049 A HN 0.365 nan 8.150 nan 0.000 0.444 1050 T N 0.231 114.694 114.554 -0.151 0.000 2.720 1050 T HA -0.069 4.182 4.350 -0.166 0.000 0.268 1050 T C 2.179 176.814 174.700 -0.109 0.000 1.037 1050 T CA 1.691 63.781 62.100 -0.018 0.000 1.144 1050 T CB -0.454 68.395 68.868 -0.031 0.000 0.864 1050 T HN 0.629 nan 8.240 nan 0.000 0.444 1051 A N 1.297 124.047 122.820 -0.117 0.000 1.858 1051 A HA -0.024 4.196 4.320 -0.166 0.000 0.216 1051 A C 2.360 179.937 177.584 -0.011 0.000 1.190 1051 A CA 1.496 53.477 52.037 -0.093 0.000 0.617 1051 A CB -0.724 18.247 19.000 -0.048 0.000 0.827 1051 A HN 0.426 nan 8.150 nan 0.000 0.443 1052 M N -0.521 119.096 119.600 0.028 0.000 2.144 1052 M HA -0.224 4.157 4.480 -0.166 0.000 0.260 1052 M C 2.357 178.682 176.300 0.041 0.000 1.067 1052 M CA 1.535 56.870 55.300 0.059 0.000 1.095 1052 M CB -0.370 32.296 32.600 0.109 0.000 1.365 1052 M HN 0.508 nan 8.290 nan 0.000 0.406 1053 A N -0.167 122.669 122.820 0.026 0.000 2.121 1053 A HA -0.057 4.163 4.320 -0.166 0.000 0.218 1053 A C 1.925 179.518 177.584 0.014 0.000 1.154 1053 A CA 0.893 52.956 52.037 0.043 0.000 0.679 1053 A CB -0.772 18.322 19.000 0.157 0.000 0.795 1053 A HN 0.483 nan 8.150 nan 0.000 0.458 1054 L N -0.696 120.532 121.223 0.007 0.000 2.275 1054 L HA -0.184 4.057 4.340 -0.166 0.000 0.215 1054 L C 2.076 178.962 176.870 0.028 0.000 1.119 1054 L CA 1.248 56.100 54.840 0.019 0.000 0.790 1054 L CB -0.510 41.574 42.059 0.042 0.000 0.919 1054 L HN 0.481 nan 8.230 nan 0.000 0.443 1055 N N -0.310 118.407 118.700 0.028 0.000 2.216 1055 N HA 0.006 4.647 4.740 -0.166 0.000 0.183 1055 N C 0.862 176.382 175.510 0.015 0.000 1.017 1055 N CA 0.477 53.544 53.050 0.028 0.000 0.861 1055 N CB 0.070 38.579 38.487 0.037 0.000 0.986 1055 N HN 0.283 nan 8.380 nan 0.000 0.428 1056 A N 0.428 123.251 122.820 0.006 0.000 2.272 1056 A HA 0.267 4.487 4.320 -0.166 0.000 0.275 1056 A C -0.562 177.004 177.584 -0.029 0.000 1.096 1056 A CA -0.141 51.891 52.037 -0.010 0.000 0.822 1056 A CB 0.532 19.522 19.000 -0.017 0.000 1.088 1056 A HN 0.111 nan 8.150 nan 0.000 0.495 1057 D N -0.310 120.064 120.400 -0.043 0.000 2.420 1057 D HA 0.512 5.053 4.640 -0.166 0.000 0.255 1057 D C 0.739 176.985 176.300 -0.091 0.000 1.185 1057 D CA 0.229 54.188 54.000 -0.068 0.000 0.904 1057 D CB 1.092 41.855 40.800 -0.062 0.000 1.102 1057 D HN 0.480 nan 8.370 nan 0.000 0.534 1058 A N 2.558 125.305 122.820 -0.121 0.000 2.084 1058 A HA -0.130 4.090 4.320 -0.166 0.000 0.221 1058 A C 1.731 179.222 177.584 -0.155 0.000 1.161 1058 A CA 2.022 53.974 52.037 -0.142 0.000 0.653 1058 A CB -0.477 18.420 19.000 -0.172 0.000 0.802 1058 A HN 0.574 nan 8.150 nan 0.000 0.457 1059 T N -3.668 110.783 114.554 -0.172 0.000 3.145 1059 T HA 0.229 4.479 4.350 -0.166 0.000 0.255 1059 T C 1.189 175.808 174.700 -0.135 0.000 1.039 1059 T CA 0.575 62.567 62.100 -0.180 0.000 0.928 1059 T CB 0.235 68.963 68.868 -0.234 0.000 1.029 1059 T HN 0.552 nan 8.240 nan 0.000 0.554 1060 E N 1.626 121.765 120.200 -0.102 0.000 2.028 1060 E HA 0.024 4.274 4.350 -0.166 0.000 0.190 1060 E C 0.674 177.236 176.600 -0.064 0.000 0.984 1060 E CA 0.622 56.978 56.400 -0.073 0.000 0.800 1060 E CB 0.246 29.915 29.700 -0.051 0.000 0.758 1060 E HN 0.580 nan 8.360 nan 0.000 0.448 1061 K N 0.589 120.953 120.400 -0.059 0.000 2.482 1061 K HA 0.298 4.519 4.320 -0.166 0.000 0.251 1061 K C -1.059 175.510 176.600 -0.050 0.000 0.936 1061 K CA -0.686 55.574 56.287 -0.046 0.000 0.791 1061 K CB 2.130 34.617 32.500 -0.021 0.000 1.213 1061 K HN 0.007 nan 8.250 nan 0.000 0.428 1062 V N 2.522 122.405 119.914 -0.052 0.000 2.667 1062 V HA 0.738 4.759 4.120 -0.166 0.000 0.308 1062 V C -0.503 175.650 176.094 0.099 0.000 1.048 1062 V CA -0.779 61.507 62.300 -0.023 0.000 0.928 1062 V CB 1.399 33.124 31.823 -0.163 0.000 1.004 1062 V HN 0.908 nan 8.190 nan 0.000 0.444 1063 I N 3.337 124.004 120.570 0.163 0.000 2.865 1063 I HA 0.733 4.803 4.170 -0.166 0.000 0.302 1063 I C 0.077 176.211 176.117 0.029 0.000 1.140 1063 I CA -0.326 61.040 61.300 0.110 0.000 1.021 1063 I CB 2.553 40.520 38.000 -0.056 0.000 1.233 1063 I HN 1.072 nan 8.210 nan 0.000 0.427 1064 S N 4.344 119.890 115.700 -0.256 0.000 2.654 1064 S HA 0.328 4.699 4.470 -0.166 0.000 0.283 1064 S C 0.964 175.308 174.600 -0.427 0.000 1.180 1064 S CA -0.635 57.184 58.200 -0.635 0.000 1.021 1064 S CB 1.833 64.504 63.200 -0.881 0.000 1.018 1064 S HN 0.515 nan 8.310 nan 0.000 0.532 1065 V N 2.184 121.834 119.914 -0.439 0.000 2.380 1065 V HA -0.235 3.785 4.120 -0.166 0.000 0.251 1065 V C 2.715 178.472 176.094 -0.561 0.000 1.063 1065 V CA 2.337 64.343 62.300 -0.491 0.000 1.055 1065 V CB -1.378 30.218 31.823 -0.379 0.000 0.657 1065 V HN 0.860 nan 8.190 nan 0.000 0.455 1066 Q N 0.125 119.706 119.800 -0.365 0.000 2.050 1066 Q HA -0.208 4.033 4.340 -0.166 0.000 0.202 1066 Q C 2.224 178.130 176.000 -0.156 0.000 0.980 1066 Q CA 2.001 57.669 55.803 -0.225 0.000 0.840 1066 Q CB -0.359 28.280 28.738 -0.165 0.000 0.898 1066 Q HN 0.720 nan 8.270 nan 0.000 0.424 1067 E N -0.001 120.096 120.200 -0.171 0.000 2.110 1067 E HA -0.188 4.062 4.350 -0.166 0.000 0.193 1067 E C 1.981 178.537 176.600 -0.072 0.000 0.988 1067 E CA 1.217 57.559 56.400 -0.096 0.000 0.804 1067 E CB -0.203 29.442 29.700 -0.093 0.000 0.745 1067 E HN 0.355 nan 8.360 nan 0.000 0.458 1068 M N 0.040 119.529 119.600 -0.185 0.000 2.073 1068 M HA -0.230 4.151 4.480 -0.166 0.000 0.258 1068 M C 2.041 178.477 176.300 0.227 0.000 1.070 1068 M CA 1.795 57.010 55.300 -0.141 0.000 1.103 1068 M CB -0.557 31.807 32.600 -0.392 0.000 1.321 1068 M HN 0.264 nan 8.290 nan 0.000 0.405 1069 H N -0.881 118.211 119.070 0.036 0.000 2.495 1069 H HA 0.049 4.505 4.556 -0.167 0.000 0.287 1069 H C 2.130 177.485 175.328 0.045 0.000 1.033 1069 H CA 0.439 56.522 56.048 0.058 0.000 1.307 1069 H CB 0.032 29.808 29.762 0.025 0.000 1.401 1069 H HN 0.464 nan 8.280 nan 0.000 0.555 1070 A N 1.064 123.976 122.820 0.153 0.000 2.015 1070 A HA -0.159 4.061 4.320 -0.166 0.000 0.219 1070 A C 2.071 179.708 177.584 0.088 0.000 1.163 1070 A CA 1.027 53.117 52.037 0.088 0.000 0.646 1070 A CB -0.165 18.862 19.000 0.044 0.000 0.806 1070 A HN 0.448 nan 8.150 nan 0.000 0.448 1071 Q N -0.464 119.412 119.800 0.126 0.000 2.435 1071 Q HA 0.157 4.397 4.340 -0.166 0.000 0.207 1071 Q C -0.130 175.923 176.000 0.088 0.000 0.956 1071 Q CA 0.101 55.975 55.803 0.119 0.000 0.917 1071 Q CB -0.025 28.825 28.738 0.187 0.000 0.997 1071 Q HN 0.622 nan 8.270 nan 0.000 0.497 1072 I N 2.199 122.823 120.570 0.090 0.000 2.416 1072 I HA 0.058 4.129 4.170 -0.166 0.000 0.288 1072 I C 0.386 176.508 176.117 0.008 0.000 1.051 1072 I CA -0.234 61.082 61.300 0.026 0.000 1.375 1072 I CB 0.520 38.521 38.000 0.001 0.000 1.407 1072 I HN -0.095 nan 8.210 nan 0.000 0.516 1073 K N 0.000 120.393 120.400 -0.011 0.000 2.780 1073 K HA 0.000 4.220 4.320 -0.166 0.000 0.191 1073 K CA 0.000 56.280 56.287 -0.011 0.000 0.838 1073 K CB 0.000 32.492 32.500 -0.012 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543