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 1lsh_1_A DATA FIRST_RESID 18 DATA SEQUENCE FQPGKVYRYS YDAFSISGLP EPGVNRAGLS GEMKIEIHGH THNQATLKIT DATA SEQUENCE QVNLKYFLGP WPSDSFYPLT GGYDHFIQQL EVPVRFDYSA GRIGDIYAPP DATA SEQUENCE QVTDTAVNIV RGILNLFQLS LKKNQQTFEL QETGVEGIcQ TTYVVQEGYR DATA SEQUENCE TNEMAVVKTK DLNNcDHKVY KTMGTAYAER CPTCQKMNKN LRSTAVYNYA DATA SEQUENCE IFDEPSGYII KSAHSEEIQQ LSVFDIKEGN VVIESRQKLI LEGIQSAPAA DATA SEQUENCE SQAASLQNRG GLMYKFPSSA ITKMSSLFVT KGKNLESEIH TVLKHLVENN DATA SEQUENCE QLSVHEDAPA KFLRLTAFLR NVDAGVLQSI WHKLHQQKDY RRWILDAVPA DATA SEQUENCE MATSEALLFL KRTLASEQLT SAEATQIVAS TLSNQQATRE SLSYARELLN DATA SEQUENCE TSFIRNRPIL RKTAVLGYGS LVFRYcANTV ScPDELLQPL HDLLSQSSDR DATA SEQUENCE AKEEEIVLAL KALGNAGQPN SIKKIQRFLP GQGKSLDEYS TRVQAEAIMA DATA SEQUENCE LRNIAKRDPR KVQEIVLPIF LNVAIKSELR IRSCIVFFES KPSVALVSMV DATA SEQUENCE AVRLRREPNL QVASFVYSQM RSLSRSSNPE FRDVAAACSV AIKMLGSKLD DATA SEQUENCE RLGCRYSKAV HVDTFNARTM AGVSADYFRI NSPSGPLPRA VAAKIRGQGM DATA SEQUENCE GYASDIVEFG LRAEGLQELL YXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX DWKSVPEERP LASGYVKVHG QEVVFAELDK KMXXXXXXXX DATA SEQUENCE XXXXXXXXXX QEQIGAVVSK LEQGMDVLLT KGYVVSEVRY MQPVCIGIPM DATA SEQUENCE DLNLLVSGVT TNRANLSASF SXSLPADMKL ADLLATNIEL RVAATTSMSQ DATA SEQUENCE HAVAIMGLTT DLAKAGMQTH YKTSAGLGVN GKIEMNARES NFKASLKPFQ DATA SEQUENCE QKTVVVLSTM ESIVFVRDPS GSRILPVLPP KMTXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXQKQ IHDIMTARPV MRRKQSCSKS DATA SEQUENCE AALSSKVCFS ARLRNAAFIR NALLYKITGD YVSKVYVQPT SSKAQITKVE DATA SEQUENCE LELQAG 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 18 F HA 0.000 nan 4.527 nan 0.000 0.279 18 F C 0.000 175.896 175.800 0.160 0.000 0.967 18 F CA 0.000 57.989 58.000 -0.018 0.000 1.383 18 F CB 0.000 38.922 39.000 -0.130 0.000 1.145 19 Q N 3.697 123.772 119.800 0.457 0.000 2.274 19 Q HA 0.176 4.517 4.340 0.001 0.000 0.280 19 Q C -2.335 173.811 176.000 0.244 0.000 1.047 19 Q CA -1.336 54.639 55.803 0.286 0.000 0.907 19 Q CB 0.979 29.866 28.738 0.248 0.000 1.171 19 Q HN 0.149 nan 8.270 nan 0.000 0.381 20 P HA -0.026 nan 4.420 nan 0.000 0.264 20 P C 0.454 177.838 177.300 0.140 0.000 1.193 20 P CA 0.833 64.032 63.100 0.165 0.000 0.763 20 P CB 0.522 32.303 31.700 0.137 0.000 0.810 21 G N 1.538 110.437 108.800 0.166 0.000 2.195 21 G HA2 -0.179 3.782 3.960 0.001 0.000 0.246 21 G HA3 -0.179 3.782 3.960 0.001 0.000 0.246 21 G C 0.026 174.908 174.900 -0.031 0.000 0.984 21 G CA -0.251 44.912 45.100 0.104 0.000 0.633 21 G HN 0.469 nan 8.290 nan 0.000 0.525 22 K N 0.501 120.870 120.400 -0.051 0.000 2.182 22 K HA 0.703 5.024 4.320 0.001 0.000 0.262 22 K C -0.213 176.167 176.600 -0.366 0.000 0.957 22 K CA -0.672 55.464 56.287 -0.252 0.000 0.842 22 K CB 2.464 34.770 32.500 -0.324 0.000 1.099 22 K HN 0.150 nan 8.250 nan 0.000 0.438 23 V N 4.086 123.703 119.914 -0.495 0.000 2.370 23 V HA 0.309 4.429 4.120 0.001 0.000 0.283 23 V C -0.988 174.890 176.094 -0.361 0.000 1.023 23 V CA -0.862 61.213 62.300 -0.375 0.000 0.857 23 V CB 0.453 32.070 31.823 -0.344 0.000 0.985 23 V HN 0.507 nan 8.190 nan 0.000 0.443 24 Y N 4.006 124.285 120.300 -0.035 0.000 2.331 24 Y HA 0.602 5.153 4.550 0.001 0.000 0.338 24 Y C 0.671 176.547 175.900 -0.040 0.000 0.992 24 Y CA -0.717 57.381 58.100 -0.004 0.000 1.121 24 Y CB 1.227 39.822 38.460 0.225 0.000 1.184 24 Y HN 0.433 nan 8.280 nan 0.000 0.469 25 R N 3.324 123.806 120.500 -0.031 0.000 2.393 25 R HA 0.504 4.845 4.340 0.001 0.000 0.310 25 R C -1.623 174.605 176.300 -0.120 0.000 0.968 25 R CA -0.911 55.188 56.100 -0.002 0.000 0.867 25 R CB 1.353 31.644 30.300 -0.015 0.000 1.124 25 R HN 0.656 nan 8.270 nan 0.000 0.450 26 Y N -0.256 120.126 120.300 0.137 0.000 2.512 26 Y HA 0.231 4.782 4.550 0.001 0.000 0.348 26 Y C 0.284 176.253 175.900 0.115 0.000 0.990 26 Y CA -0.734 57.453 58.100 0.145 0.000 1.033 26 Y CB 2.366 40.943 38.460 0.194 0.000 1.259 26 Y HN 0.566 nan 8.280 nan 0.000 0.461 27 S N 1.317 117.173 115.700 0.260 0.000 2.578 27 S HA 0.632 5.103 4.470 0.001 0.000 0.283 27 S C -1.525 173.217 174.600 0.235 0.000 1.195 27 S CA -0.627 57.686 58.200 0.189 0.000 1.050 27 S CB 1.536 64.799 63.200 0.105 0.000 1.012 27 S HN 0.600 nan 8.310 nan 0.000 0.511 28 Y N 0.932 121.257 120.300 0.042 0.000 2.386 28 Y HA 0.573 5.124 4.550 0.001 0.000 0.334 28 Y C -2.037 173.848 175.900 -0.026 0.000 1.002 28 Y CA -0.988 57.111 58.100 -0.002 0.000 1.068 28 Y CB 1.604 40.068 38.460 0.006 0.000 1.203 28 Y HN 0.755 nan 8.280 nan 0.000 0.443 29 D N 4.468 124.533 120.400 -0.559 0.000 2.738 29 D HA 0.786 5.427 4.640 0.001 0.000 0.237 29 D C -1.320 174.558 176.300 -0.704 0.000 1.123 29 D CA -0.311 53.392 54.000 -0.495 0.000 0.856 29 D CB 2.060 42.704 40.800 -0.260 0.000 1.552 29 D HN 0.729 nan 8.370 nan 0.000 0.480 30 A N 1.059 123.550 122.820 -0.549 0.000 2.549 30 A HA 0.822 5.142 4.320 0.001 0.000 0.297 30 A C -1.559 175.929 177.584 -0.159 0.000 1.061 30 A CA -0.838 50.923 52.037 -0.459 0.000 0.690 30 A CB 1.236 19.940 19.000 -0.493 0.000 1.287 30 A HN 0.477 nan 8.150 nan 0.000 0.402 31 F N -0.606 119.254 119.950 -0.150 0.000 2.711 31 F HA 0.871 5.398 4.527 0.001 0.000 0.313 31 F C -0.434 175.299 175.800 -0.113 0.000 1.141 31 F CA -0.753 57.203 58.000 -0.073 0.000 0.941 31 F CB 1.480 40.499 39.000 0.033 0.000 1.349 31 F HN 0.920 nan 8.300 nan 0.000 0.464 32 S N 2.265 118.130 115.700 0.276 0.000 2.668 32 S HA 0.733 5.204 4.470 0.001 0.000 0.277 32 S C -1.481 173.131 174.600 0.020 0.000 1.170 32 S CA -0.534 57.723 58.200 0.096 0.000 0.994 32 S CB 1.265 64.457 63.200 -0.013 0.000 1.051 32 S HN 1.159 nan 8.310 nan 0.000 0.484 33 I N 2.396 122.901 120.570 -0.108 0.000 2.608 33 I HA 0.681 4.852 4.170 0.001 0.000 0.295 33 I C -0.943 175.020 176.117 -0.256 0.000 1.049 33 I CA -0.450 60.678 61.300 -0.287 0.000 1.063 33 I CB 2.231 39.805 38.000 -0.709 0.000 1.248 33 I HN 0.835 nan 8.210 nan 0.000 0.424 34 S N 4.325 119.901 115.700 -0.207 0.000 2.621 34 S HA 1.024 5.495 4.470 0.001 0.000 0.302 34 S C -0.142 174.369 174.600 -0.149 0.000 1.093 34 S CA -0.356 57.744 58.200 -0.166 0.000 1.017 34 S CB 1.854 64.971 63.200 -0.139 0.000 1.077 34 S HN 1.166 nan 8.310 nan 0.000 0.517 35 G N 0.127 108.859 108.800 -0.115 0.000 2.356 35 G HA2 0.246 4.207 3.960 0.001 0.000 0.288 35 G HA3 0.246 4.207 3.960 0.001 0.000 0.288 35 G C -1.807 173.051 174.900 -0.070 0.000 1.302 35 G CA -1.182 43.867 45.100 -0.085 0.000 0.887 35 G HN 0.654 nan 8.290 nan 0.000 0.521 36 L N 1.757 122.937 121.223 -0.071 0.000 2.426 36 L HA 0.327 4.667 4.340 0.001 0.000 0.271 36 L C -1.459 175.409 176.870 -0.003 0.000 1.169 36 L CA -1.393 53.406 54.840 -0.067 0.000 0.836 36 L CB 1.141 43.086 42.059 -0.190 0.000 1.112 36 L HN 0.342 nan 8.230 nan 0.000 0.465 37 P HA 0.138 nan 4.420 nan 0.000 0.225 37 P C -0.817 176.545 177.300 0.103 0.000 1.813 37 P CA 0.003 63.145 63.100 0.071 0.000 1.013 37 P CB 0.314 32.053 31.700 0.064 0.000 1.961 38 E N 2.344 122.603 120.200 0.098 0.000 2.292 38 E HA 0.354 4.705 4.350 0.001 0.000 0.272 38 E C -2.661 173.997 176.600 0.095 0.000 0.881 38 E CA -2.235 54.220 56.400 0.092 0.000 0.754 38 E CB 2.699 32.443 29.700 0.073 0.000 1.201 38 E HN 0.226 nan 8.360 nan 0.000 0.425 39 P HA 0.143 nan 4.420 nan 0.000 0.275 39 P C 0.692 178.030 177.300 0.063 0.000 1.227 39 P CA 0.512 63.651 63.100 0.065 0.000 0.781 39 P CB 1.002 32.718 31.700 0.027 0.000 0.906 40 G N 1.445 110.286 108.800 0.067 0.000 2.308 40 G HA2 -0.222 3.739 3.960 0.001 0.000 0.221 40 G HA3 -0.222 3.739 3.960 0.001 0.000 0.221 40 G C 0.120 175.068 174.900 0.080 0.000 1.032 40 G CA 0.139 45.281 45.100 0.070 0.000 0.623 40 G HN 0.729 nan 8.290 nan 0.000 0.506 41 V N -0.539 119.421 119.914 0.077 0.000 2.904 41 V HA 0.704 4.825 4.120 0.001 0.000 0.305 41 V C 0.371 176.511 176.094 0.077 0.000 1.067 41 V CA -0.701 61.635 62.300 0.060 0.000 1.044 41 V CB 1.172 33.002 31.823 0.011 0.000 1.050 41 V HN 0.367 nan 8.190 nan 0.000 0.475 42 N N 2.039 120.773 118.700 0.057 0.000 2.525 42 N HA 0.492 5.232 4.740 0.001 0.000 0.271 42 N C -0.401 175.150 175.510 0.069 0.000 1.194 42 N CA -0.554 52.535 53.050 0.065 0.000 0.964 42 N CB 0.629 39.133 38.487 0.029 0.000 1.126 42 N HN 0.643 nan 8.380 nan 0.000 0.452 43 R N 0.677 121.254 120.500 0.129 0.000 2.867 43 R HA 0.794 5.135 4.340 0.001 0.000 0.268 43 R C -1.336 175.048 176.300 0.139 0.000 1.014 43 R CA -1.011 55.146 56.100 0.095 0.000 0.946 43 R CB 2.010 32.350 30.300 0.067 0.000 1.208 43 R HN 0.549 nan 8.270 nan 0.000 0.477 44 A N 0.047 122.879 122.820 0.020 0.000 2.498 44 A HA 0.909 5.229 4.320 0.001 0.000 0.298 44 A C -0.696 176.881 177.584 -0.012 0.000 1.075 44 A CA -0.273 51.786 52.037 0.036 0.000 0.714 44 A CB 2.320 21.223 19.000 -0.162 0.000 1.299 44 A HN 0.801 nan 8.150 nan 0.000 0.407 45 G N -0.558 108.291 108.800 0.081 0.000 2.490 45 G HA2 0.555 4.516 3.960 0.001 0.000 0.308 45 G HA3 0.555 4.516 3.960 0.001 0.000 0.308 45 G C -1.764 173.219 174.900 0.139 0.000 1.286 45 G CA -0.632 44.479 45.100 0.019 0.000 0.825 45 G HN 0.813 nan 8.290 nan 0.000 0.479 46 L N 0.029 121.330 121.223 0.130 0.000 2.319 46 L HA 0.871 5.212 4.340 0.001 0.000 0.267 46 L C 0.049 177.054 176.870 0.225 0.000 1.011 46 L CA -0.955 53.990 54.840 0.174 0.000 0.818 46 L CB 2.186 44.308 42.059 0.104 0.000 1.316 46 L HN 0.676 nan 8.230 nan 0.000 0.432 47 S N -0.188 115.639 115.700 0.211 0.000 2.552 47 S HA 0.832 5.303 4.470 0.001 0.000 0.272 47 S C -1.103 173.550 174.600 0.087 0.000 1.150 47 S CA -0.203 58.115 58.200 0.196 0.000 0.849 47 S CB 1.942 65.320 63.200 0.298 0.000 1.113 47 S HN 0.899 nan 8.310 nan 0.000 0.458 48 G N 1.383 110.196 108.800 0.021 0.000 2.672 48 G HA2 0.708 4.669 3.960 0.001 0.000 0.292 48 G HA3 0.708 4.669 3.960 0.001 0.000 0.292 48 G C -2.023 172.832 174.900 -0.075 0.000 1.375 48 G CA -0.696 44.404 45.100 0.000 0.000 0.890 48 G HN 0.648 nan 8.290 nan 0.000 0.476 49 E N 0.335 120.512 120.200 -0.038 0.000 2.263 49 E HA 0.522 4.873 4.350 0.001 0.000 0.268 49 E C -0.747 175.872 176.600 0.032 0.000 0.884 49 E CA -0.460 55.912 56.400 -0.047 0.000 0.766 49 E CB 2.557 32.217 29.700 -0.068 0.000 1.196 49 E HN 0.390 nan 8.360 nan 0.000 0.416 50 M N 1.611 121.262 119.600 0.085 0.000 2.658 50 M HA 0.530 5.011 4.480 0.001 0.000 0.295 50 M C -0.890 175.491 176.300 0.134 0.000 1.248 50 M CA -1.252 54.125 55.300 0.129 0.000 0.843 50 M CB 2.124 34.856 32.600 0.220 0.000 1.749 50 M HN 0.053 nan 8.290 nan 0.000 0.464 51 K N 2.160 122.627 120.400 0.112 0.000 2.270 51 K HA 0.773 5.093 4.320 0.001 0.000 0.255 51 K C -1.225 175.443 176.600 0.113 0.000 0.936 51 K CA -0.267 56.089 56.287 0.115 0.000 0.809 51 K CB 1.794 34.342 32.500 0.080 0.000 1.131 51 K HN 0.631 nan 8.250 nan 0.000 0.427 52 I N 0.908 121.564 120.570 0.142 0.000 2.828 52 I HA 0.375 4.545 4.170 0.001 0.000 0.302 52 I C -0.315 175.893 176.117 0.151 0.000 1.101 52 I CA -0.837 60.533 61.300 0.117 0.000 1.031 52 I CB 2.560 40.615 38.000 0.092 0.000 1.231 52 I HN 0.367 nan 8.210 nan 0.000 0.427 53 E N 4.306 124.568 120.200 0.103 0.000 2.272 53 E HA 0.634 4.984 4.350 0.001 0.000 0.269 53 E C -1.441 175.198 176.600 0.065 0.000 0.877 53 E CA -0.631 55.834 56.400 0.108 0.000 0.755 53 E CB 3.304 33.047 29.700 0.072 0.000 1.192 53 E HN 0.380 nan 8.360 nan 0.000 0.422 54 I N 2.294 122.902 120.570 0.064 0.000 2.436 54 I HA 0.212 4.383 4.170 0.001 0.000 0.289 54 I C -0.715 175.381 176.117 -0.034 0.000 1.010 54 I CA -0.689 60.538 61.300 -0.121 0.000 1.098 54 I CB 1.426 39.117 38.000 -0.515 0.000 1.266 54 I HN 0.408 nan 8.210 nan 0.000 0.434 55 H N 5.045 123.993 119.070 -0.203 0.000 2.519 55 H HA 0.425 4.982 4.556 0.001 0.000 0.316 55 H C -0.121 174.917 175.328 -0.483 0.000 1.065 55 H CA -0.373 55.535 56.048 -0.234 0.000 1.264 55 H CB 1.761 31.386 29.762 -0.229 0.000 1.413 55 H HN 0.764 nan 8.280 nan 0.000 0.465 56 G N 4.244 113.036 108.800 -0.013 0.000 2.390 56 G HA2 0.246 4.206 3.960 0.001 0.000 0.270 56 G HA3 0.246 4.206 3.960 0.001 0.000 0.270 56 G C -0.420 174.408 174.900 -0.120 0.000 1.211 56 G CA -0.220 44.869 45.100 -0.019 0.000 0.842 56 G HN 0.657 nan 8.290 nan 0.000 0.519 57 H N -0.330 118.801 119.070 0.103 0.000 2.896 57 H HA 0.549 5.106 4.556 0.001 0.000 0.318 57 H C 0.675 176.045 175.328 0.070 0.000 1.409 57 H CA -0.340 55.745 56.048 0.062 0.000 1.328 57 H CB 1.305 31.053 29.762 -0.023 0.000 1.940 57 H HN 0.616 nan 8.280 nan 0.000 0.665 58 T N -2.588 112.109 114.554 0.239 0.000 2.824 58 T HA 0.190 4.541 4.350 0.001 0.000 0.277 58 T C -0.107 174.731 174.700 0.230 0.000 0.975 58 T CA -0.432 61.779 62.100 0.184 0.000 0.966 58 T CB 0.619 69.617 68.868 0.216 0.000 1.054 58 T HN 0.772 nan 8.240 nan 0.000 0.533 59 H N -0.162 118.921 119.070 0.022 0.000 2.936 59 H HA -0.169 4.388 4.556 0.001 0.000 0.276 59 H C 0.259 175.594 175.328 0.012 0.000 1.216 59 H CA 0.590 56.642 56.048 0.006 0.000 1.132 59 H CB -2.548 27.206 29.762 -0.013 0.000 1.303 59 H HN 0.944 nan 8.280 nan 0.000 0.370 60 N N -0.249 118.490 118.700 0.064 0.000 2.738 60 N HA -0.228 4.512 4.740 0.001 0.000 0.249 60 N C -0.641 174.910 175.510 0.069 0.000 1.047 60 N CA 1.140 54.224 53.050 0.056 0.000 0.707 60 N CB -0.265 38.240 38.487 0.030 0.000 0.937 60 N HN 0.677 nan 8.380 nan 0.000 0.545 61 Q N -0.542 119.286 119.800 0.046 0.000 2.484 61 Q HA 0.900 5.240 4.340 0.001 0.000 0.285 61 Q C -0.947 174.955 176.000 -0.164 0.000 1.097 61 Q CA -0.850 54.918 55.803 -0.059 0.000 0.802 61 Q CB 2.592 31.316 28.738 -0.023 0.000 1.444 61 Q HN 0.237 nan 8.270 nan 0.000 0.429 62 A N 0.414 122.926 122.820 -0.514 0.000 2.609 62 A HA 0.819 5.140 4.320 0.001 0.000 0.291 62 A C -1.280 175.938 177.584 -0.610 0.000 1.096 62 A CA -0.534 51.098 52.037 -0.674 0.000 0.684 62 A CB 2.173 20.617 19.000 -0.925 0.000 1.282 62 A HN 0.484 nan 8.150 nan 0.000 0.412 63 T N 1.133 115.503 114.554 -0.307 0.000 2.824 63 T HA 0.580 4.930 4.350 0.001 0.000 0.282 63 T C -0.938 173.806 174.700 0.073 0.000 0.993 63 T CA -0.207 61.898 62.100 0.007 0.000 0.967 63 T CB 1.092 70.028 68.868 0.114 0.000 0.960 63 T HN 0.696 nan 8.240 nan 0.000 0.441 64 L N 3.228 124.556 121.223 0.176 0.000 2.313 64 L HA 0.681 5.022 4.340 0.001 0.000 0.283 64 L C -0.539 176.344 176.870 0.021 0.000 1.013 64 L CA -0.573 54.297 54.840 0.050 0.000 0.816 64 L CB 0.929 42.946 42.059 -0.071 0.000 1.236 64 L HN 0.372 nan 8.230 nan 0.000 0.419 65 K N 5.946 126.356 120.400 0.016 0.000 2.397 65 K HA 0.489 4.810 4.320 0.001 0.000 0.253 65 K C -1.212 175.394 176.600 0.010 0.000 0.932 65 K CA -0.671 55.626 56.287 0.017 0.000 0.795 65 K CB 1.690 34.214 32.500 0.041 0.000 1.159 65 K HN 0.629 nan 8.250 nan 0.000 0.424 66 I N 3.582 124.149 120.570 -0.004 0.000 2.342 66 I HA 0.071 4.242 4.170 0.001 0.000 0.291 66 I C 1.402 177.530 176.117 0.018 0.000 1.010 66 I CA -0.098 61.206 61.300 0.006 0.000 1.308 66 I CB 1.639 39.631 38.000 -0.014 0.000 1.400 66 I HN 0.752 nan 8.210 nan 0.000 0.488 67 T N 1.310 115.885 114.554 0.035 0.000 2.990 67 T HA 0.148 4.498 4.350 0.001 0.000 0.250 67 T C 0.366 175.088 174.700 0.037 0.000 1.041 67 T CA -0.102 62.019 62.100 0.036 0.000 1.010 67 T CB 0.394 69.288 68.868 0.042 0.000 1.003 67 T HN 0.612 nan 8.240 nan 0.000 0.499 68 Q N 0.339 120.165 119.800 0.043 0.000 2.327 68 Q HA 0.571 4.912 4.340 0.001 0.000 0.265 68 Q C -2.375 173.656 176.000 0.051 0.000 0.993 68 Q CA -0.721 55.108 55.803 0.044 0.000 0.885 68 Q CB 2.875 31.639 28.738 0.044 0.000 1.379 68 Q HN 0.193 nan 8.270 nan 0.000 0.408 69 V N 4.037 123.980 119.914 0.048 0.000 2.686 69 V HA 0.675 4.796 4.120 0.001 0.000 0.306 69 V C -1.929 174.197 176.094 0.053 0.000 1.065 69 V CA -0.405 61.929 62.300 0.056 0.000 0.894 69 V CB 2.141 34.001 31.823 0.060 0.000 1.004 69 V HN 0.871 nan 8.190 nan 0.000 0.424 70 N N 6.655 125.382 118.700 0.044 0.000 2.483 70 N HA 0.512 5.252 4.740 0.001 0.000 0.267 70 N C -0.988 174.538 175.510 0.027 0.000 0.998 70 N CA -0.264 52.807 53.050 0.034 0.000 0.918 70 N CB 2.158 40.656 38.487 0.017 0.000 1.215 70 N HN 0.660 nan 8.380 nan 0.000 0.500 71 L N 1.830 123.065 121.223 0.020 0.000 2.334 71 L HA 0.494 4.834 4.340 0.001 0.000 0.277 71 L C 0.574 177.449 176.870 0.009 0.000 1.075 71 L CA -0.250 54.586 54.840 -0.007 0.000 0.804 71 L CB 0.900 42.900 42.059 -0.098 0.000 1.174 71 L HN 0.227 nan 8.230 nan 0.000 0.438 72 K N 1.936 122.372 120.400 0.060 0.000 2.509 72 K HA 0.504 4.825 4.320 0.001 0.000 0.266 72 K C -1.598 175.145 176.600 0.238 0.000 0.987 72 K CA -0.861 55.502 56.287 0.127 0.000 0.868 72 K CB 2.897 35.467 32.500 0.116 0.000 1.421 72 K HN 0.436 nan 8.250 nan 0.000 0.444 73 Y N -1.302 119.111 120.300 0.189 0.000 2.562 73 Y HA 0.710 5.261 4.550 0.001 0.000 0.343 73 Y C -1.143 174.880 175.900 0.206 0.000 1.025 73 Y CA -1.365 56.836 58.100 0.168 0.000 1.082 73 Y CB 1.042 39.567 38.460 0.108 0.000 1.264 73 Y HN 0.479 nan 8.280 nan 0.000 0.478 74 F N 4.031 124.018 119.950 0.062 0.000 2.482 74 F HA 0.718 5.246 4.527 0.001 0.000 0.331 74 F C -1.760 174.027 175.800 -0.022 0.000 1.115 74 F CA -1.225 56.608 58.000 -0.278 0.000 0.955 74 F CB 1.597 40.219 39.000 -0.629 0.000 1.136 74 F HN 0.609 nan 8.300 nan 0.000 0.452 75 L N 6.228 127.089 121.223 -0.602 0.000 2.617 75 L HA 0.794 5.135 4.340 0.001 0.000 0.259 75 L C -0.735 175.892 176.870 -0.406 0.000 0.995 75 L CA 0.296 54.995 54.840 -0.235 0.000 0.899 75 L CB 1.248 43.391 42.059 0.141 0.000 1.181 75 L HN 0.879 nan 8.230 nan 0.000 0.437 76 G N 3.721 112.286 108.800 -0.390 0.000 2.327 76 G HA2 0.302 4.263 3.960 0.001 0.000 0.291 76 G HA3 0.302 4.263 3.960 0.001 0.000 0.291 76 G C -3.524 171.371 174.900 -0.008 0.000 1.290 76 G CA -0.519 44.436 45.100 -0.243 0.000 0.857 76 G HN 0.296 nan 8.290 nan 0.000 0.520 77 P HA 0.252 nan 4.420 nan 0.000 0.278 77 P C -0.964 176.521 177.300 0.309 0.000 1.238 77 P CA -0.163 63.030 63.100 0.156 0.000 0.794 77 P CB 1.287 33.027 31.700 0.067 0.000 0.955 78 W N 4.518 125.878 121.300 0.101 0.000 2.532 78 W HA 0.368 5.029 4.660 0.001 0.000 0.321 78 W C -2.753 173.772 176.519 0.009 0.000 1.037 78 W CA -2.517 54.860 57.345 0.052 0.000 1.220 78 W CB 1.971 31.396 29.460 -0.058 0.000 1.361 78 W HN 0.272 nan 8.180 nan 0.000 0.468 79 P HA 0.249 nan 4.420 nan 0.000 0.275 79 P C -0.821 176.200 177.300 -0.465 0.000 1.228 79 P CA 0.330 62.715 63.100 -1.191 0.000 0.786 79 P CB 1.574 32.736 31.700 -0.896 0.000 0.927 80 S N -0.166 115.327 115.700 -0.344 0.000 2.645 80 S HA 0.202 4.673 4.470 0.001 0.000 0.268 80 S C -1.429 173.195 174.600 0.040 0.000 1.110 80 S CA -0.844 57.302 58.200 -0.091 0.000 0.823 80 S CB 0.876 64.059 63.200 -0.028 0.000 1.091 80 S HN 0.378 nan 8.310 nan 0.000 0.466 81 D N 1.297 121.706 120.400 0.014 0.000 3.139 81 D HA 0.329 4.970 4.640 0.001 0.000 0.268 81 D C -0.268 175.970 176.300 -0.103 0.000 1.322 81 D CA -0.222 53.841 54.000 0.105 0.000 0.940 81 D CB -0.033 40.801 40.800 0.056 0.000 1.050 81 D HN 0.465 nan 8.370 nan 0.000 0.503 82 S N 1.131 116.629 115.700 -0.337 0.000 3.149 82 S HA 0.214 4.685 4.470 0.001 0.000 0.228 82 S C -0.086 173.824 174.600 -1.151 0.000 1.393 82 S CA -0.481 57.261 58.200 -0.763 0.000 1.224 82 S CB -0.501 62.255 63.200 -0.740 0.000 1.112 82 S HN 0.200 nan 8.310 nan 0.000 0.502 83 F N 1.620 121.084 119.950 -0.811 0.000 2.421 83 F HA 0.598 5.125 4.527 0.001 0.000 0.337 83 F C -0.079 175.099 175.800 -1.036 0.000 1.105 83 F CA -0.888 56.750 58.000 -0.602 0.000 1.049 83 F CB 0.922 39.789 39.000 -0.223 0.000 1.139 83 F HN 0.197 nan 8.300 nan 0.000 0.479 84 Y N 1.670 121.758 120.300 -0.354 0.000 2.553 84 Y HA 0.446 4.997 4.550 0.001 0.000 0.347 84 Y C -2.579 173.158 175.900 -0.273 0.000 1.019 84 Y CA -3.122 54.729 58.100 -0.415 0.000 1.032 84 Y CB 1.449 39.442 38.460 -0.779 0.000 1.284 84 Y HN 0.357 nan 8.280 nan 0.000 0.466 85 P HA 0.072 nan 4.420 nan 0.000 0.265 85 P C -0.745 176.710 177.300 0.259 0.000 1.193 85 P CA 0.277 63.460 63.100 0.139 0.000 0.765 85 P CB 0.507 32.290 31.700 0.139 0.000 0.823 86 L N 3.320 124.654 121.223 0.185 0.000 2.278 86 L HA 0.177 4.518 4.340 0.001 0.000 0.287 86 L C 1.723 178.702 176.870 0.182 0.000 1.072 86 L CA 0.016 54.955 54.840 0.165 0.000 0.819 86 L CB 0.802 42.713 42.059 -0.247 0.000 1.176 86 L HN 0.526 nan 8.230 nan 0.000 0.435 87 T N 0.114 114.853 114.554 0.309 0.000 3.139 87 T HA 0.122 4.473 4.350 0.001 0.000 0.226 87 T C 0.893 175.813 174.700 0.366 0.000 1.010 87 T CA 0.331 62.602 62.100 0.285 0.000 1.487 87 T CB -0.337 68.653 68.868 0.204 0.000 1.204 87 T HN 0.516 nan 8.240 nan 0.000 0.437 88 G N -0.653 108.305 108.800 0.263 0.000 2.444 88 G HA2 0.447 4.407 3.960 0.001 0.000 0.268 88 G HA3 0.447 4.407 3.960 0.001 0.000 0.268 88 G C 0.968 175.814 174.900 -0.090 0.000 1.203 88 G CA -0.176 45.000 45.100 0.127 0.000 0.835 88 G HN 1.577 nan 8.290 nan 0.000 0.543 89 G N -0.180 108.549 108.800 -0.119 0.000 2.176 89 G HA2 -0.290 3.670 3.960 0.001 0.000 0.253 89 G HA3 -0.290 3.670 3.960 0.001 0.000 0.253 89 G C 0.611 175.293 174.900 -0.363 0.000 0.979 89 G CA 0.899 45.832 45.100 -0.278 0.000 0.641 89 G HN 0.702 nan 8.290 nan 0.000 0.530 90 Y N 0.850 121.231 120.300 0.136 0.000 2.467 90 Y HA 0.220 4.771 4.550 0.001 0.000 0.250 90 Y C 2.090 178.113 175.900 0.206 0.000 1.155 90 Y CA 0.200 58.412 58.100 0.187 0.000 1.249 90 Y CB 0.224 38.794 38.460 0.184 0.000 1.146 90 Y HN 0.176 nan 8.280 nan 0.000 0.524 91 D N -0.178 120.376 120.400 0.257 0.000 2.123 91 D HA -0.256 4.385 4.640 0.001 0.000 0.196 91 D C 1.889 178.323 176.300 0.224 0.000 0.992 91 D CA 1.721 55.845 54.000 0.207 0.000 0.833 91 D CB -0.498 40.392 40.800 0.150 0.000 0.954 91 D HN 0.551 nan 8.370 nan 0.000 0.455 92 H N -0.807 118.340 119.070 0.128 0.000 2.353 92 H HA -0.153 4.403 4.556 0.001 0.000 0.300 92 H C 2.122 177.531 175.328 0.135 0.000 1.090 92 H CA 0.908 57.022 56.048 0.110 0.000 1.327 92 H CB -0.131 29.694 29.762 0.104 0.000 1.383 92 H HN 0.054 nan 8.280 nan 0.000 0.508 93 F N 1.282 121.223 119.950 -0.015 0.000 2.146 93 F HA -0.100 4.427 4.527 0.001 0.000 0.298 93 F C 2.325 178.121 175.800 -0.006 0.000 1.096 93 F CA 1.071 59.021 58.000 -0.082 0.000 1.275 93 F CB -0.454 38.582 39.000 0.060 0.000 1.008 93 F HN 0.092 nan 8.300 nan 0.000 0.480 94 I N 0.001 120.582 120.570 0.018 0.000 2.264 94 I HA -0.335 3.836 4.170 0.001 0.000 0.248 94 I C 2.321 178.377 176.117 -0.103 0.000 1.111 94 I CA 1.406 62.673 61.300 -0.054 0.000 1.382 94 I CB -0.524 37.530 38.000 0.090 0.000 1.060 94 I HN 0.268 nan 8.210 nan 0.000 0.418 95 Q N 0.076 119.850 119.800 -0.045 0.000 2.119 95 Q HA -0.233 4.108 4.340 0.001 0.000 0.201 95 Q C 2.230 178.173 176.000 -0.095 0.000 0.972 95 Q CA 1.267 57.056 55.803 -0.023 0.000 0.847 95 Q CB 0.004 28.781 28.738 0.066 0.000 0.903 95 Q HN 0.572 nan 8.270 nan 0.000 0.433 96 Q N 0.070 119.743 119.800 -0.212 0.000 2.119 96 Q HA -0.098 4.243 4.340 0.001 0.000 0.201 96 Q C 2.001 177.828 176.000 -0.289 0.000 0.972 96 Q CA 0.835 56.482 55.803 -0.260 0.000 0.847 96 Q CB 0.037 28.537 28.738 -0.398 0.000 0.903 96 Q HN 0.381 nan 8.270 nan 0.000 0.433 97 L N 0.608 121.584 121.223 -0.411 0.000 2.275 97 L HA -0.152 4.189 4.340 0.001 0.000 0.215 97 L C 1.497 178.274 176.870 -0.154 0.000 1.119 97 L CA 0.934 55.587 54.840 -0.311 0.000 0.790 97 L CB -0.099 41.769 42.059 -0.319 0.000 0.919 97 L HN 0.236 nan 8.230 nan 0.000 0.443 98 E N -0.771 119.358 120.200 -0.119 0.000 2.489 98 E HA 0.047 4.398 4.350 0.001 0.000 0.193 98 E C 0.155 176.732 176.600 -0.038 0.000 1.057 98 E CA -0.229 56.138 56.400 -0.056 0.000 0.866 98 E CB 0.507 30.189 29.700 -0.031 0.000 0.916 98 E HN 0.162 nan 8.360 nan 0.000 0.500 99 V N 3.092 122.977 119.914 -0.049 0.000 2.583 99 V HA 0.101 4.222 4.120 0.001 0.000 0.287 99 V C -2.089 173.997 176.094 -0.014 0.000 1.051 99 V CA -1.670 60.615 62.300 -0.025 0.000 1.010 99 V CB 0.773 32.581 31.823 -0.026 0.000 0.988 99 V HN -0.001 nan 8.190 nan 0.000 0.478 100 P HA 0.188 nan 4.420 nan 0.000 0.268 100 P C -0.930 176.391 177.300 0.036 0.000 1.205 100 P CA 0.071 63.183 63.100 0.021 0.000 0.771 100 P CB 0.568 32.281 31.700 0.022 0.000 0.858 101 V N 4.002 123.953 119.914 0.062 0.000 2.540 101 V HA 0.424 4.545 4.120 0.001 0.000 0.302 101 V C 0.303 176.514 176.094 0.194 0.000 1.035 101 V CA -0.708 61.654 62.300 0.104 0.000 0.873 101 V CB 1.764 33.623 31.823 0.060 0.000 0.992 101 V HN 0.462 nan 8.190 nan 0.000 0.428 102 R N 4.126 124.761 120.500 0.224 0.000 2.428 102 R HA 0.702 5.042 4.340 0.001 0.000 0.294 102 R C -1.462 175.105 176.300 0.446 0.000 1.000 102 R CA -0.305 55.924 56.100 0.216 0.000 0.960 102 R CB 1.244 31.573 30.300 0.049 0.000 1.076 102 R HN 0.658 nan 8.270 nan 0.000 0.475 103 F N 0.274 120.312 119.950 0.146 0.000 2.601 103 F HA 0.452 4.979 4.527 0.001 0.000 0.309 103 F C -1.282 174.646 175.800 0.213 0.000 1.089 103 F CA -1.516 56.599 58.000 0.192 0.000 0.940 103 F CB 1.180 40.209 39.000 0.048 0.000 1.273 103 F HN 0.303 nan 8.300 nan 0.000 0.450 104 D N 1.646 122.253 120.400 0.344 0.000 2.256 104 D HA 0.212 4.853 4.640 0.001 0.000 0.250 104 D C -1.555 174.960 176.300 0.357 0.000 1.093 104 D CA 0.410 54.554 54.000 0.239 0.000 0.882 104 D CB 1.790 42.739 40.800 0.249 0.000 1.185 104 D HN 0.666 nan 8.370 nan 0.000 0.437 105 Y N 1.110 121.467 120.300 0.095 0.000 2.330 105 Y HA 0.253 4.804 4.550 0.001 0.000 0.324 105 Y C -1.300 174.645 175.900 0.075 0.000 1.093 105 Y CA -0.955 57.239 58.100 0.156 0.000 1.103 105 Y CB 1.269 39.885 38.460 0.260 0.000 1.183 105 Y HN 0.310 nan 8.280 nan 0.000 0.433 106 S N 3.301 118.915 115.700 -0.143 0.000 2.575 106 S HA 0.714 5.184 4.470 0.001 0.000 0.278 106 S C 0.117 174.548 174.600 -0.281 0.000 1.139 106 S CA -0.502 57.578 58.200 -0.199 0.000 0.954 106 S CB 1.432 64.589 63.200 -0.072 0.000 1.054 106 S HN 1.959 nan 8.310 nan 0.000 0.483 107 A N 1.562 124.200 122.820 -0.303 0.000 2.745 107 A HA 0.167 4.487 4.320 0.001 0.000 0.296 107 A C 1.782 179.198 177.584 -0.280 0.000 1.500 107 A CA 1.069 52.963 52.037 -0.237 0.000 0.766 107 A CB -2.085 16.832 19.000 -0.139 0.000 1.030 107 A HN 2.976 nan 8.150 nan 0.000 0.489 108 G N -1.893 106.548 108.800 -0.599 0.000 2.184 108 G HA2 -0.242 3.719 3.960 0.001 0.000 0.264 108 G HA3 -0.242 3.719 3.960 0.001 0.000 0.264 108 G C 0.146 174.966 174.900 -0.132 0.000 0.975 108 G CA 1.366 46.197 45.100 -0.448 0.000 0.642 108 G HN 2.074 nan 8.290 nan 0.000 0.536 109 R N 0.598 121.023 120.500 -0.125 0.000 2.294 109 R HA 0.614 4.955 4.340 0.001 0.000 0.319 109 R C 0.574 177.031 176.300 0.262 0.000 0.984 109 R CA -0.929 55.227 56.100 0.092 0.000 0.861 109 R CB 0.321 30.642 30.300 0.035 0.000 1.104 109 R HN 0.054 nan 8.270 nan 0.000 0.451 110 I N 4.541 125.324 120.570 0.355 0.000 2.588 110 I HA 0.179 4.350 4.170 0.001 0.000 0.283 110 I C 1.086 177.340 176.117 0.229 0.000 1.119 110 I CA 0.498 62.021 61.300 0.371 0.000 1.419 110 I CB 0.777 38.918 38.000 0.234 0.000 1.394 110 I HN 0.975 nan 8.210 nan 0.000 0.562 111 G N 5.927 114.867 108.800 0.234 0.000 3.157 111 G HA2 0.152 4.113 3.960 0.001 0.000 0.206 111 G HA3 0.152 4.113 3.960 0.001 0.000 0.206 111 G C -0.303 174.658 174.900 0.102 0.000 1.903 111 G CA -0.087 45.100 45.100 0.145 0.000 0.771 111 G HN 0.494 nan 8.290 nan 0.000 0.750 112 D N 0.253 120.701 120.400 0.080 0.000 2.312 112 D HA 0.512 5.152 4.640 0.001 0.000 0.248 112 D C -0.199 176.040 176.300 -0.101 0.000 1.086 112 D CA 0.100 54.036 54.000 -0.105 0.000 0.948 112 D CB 2.095 42.722 40.800 -0.289 0.000 1.162 112 D HN 0.063 nan 8.370 nan 0.000 0.446 113 I N 1.316 121.728 120.570 -0.264 0.000 2.474 113 I HA 0.280 4.451 4.170 0.001 0.000 0.294 113 I C -1.019 174.903 176.117 -0.325 0.000 1.005 113 I CA -0.848 60.396 61.300 -0.094 0.000 1.113 113 I CB 1.137 39.102 38.000 -0.059 0.000 1.289 113 I HN 0.160 nan 8.210 nan 0.000 0.436 114 Y N 4.124 124.457 120.300 0.055 0.000 2.391 114 Y HA 0.778 5.329 4.550 0.001 0.000 0.341 114 Y C 0.020 175.930 175.900 0.017 0.000 0.965 114 Y CA -0.894 57.222 58.100 0.027 0.000 1.067 114 Y CB 2.072 40.546 38.460 0.024 0.000 1.199 114 Y HN 0.593 nan 8.280 nan 0.000 0.450 115 A N 3.809 126.703 122.820 0.123 0.000 2.574 115 A HA 0.822 5.143 4.320 0.001 0.000 0.297 115 A C -3.216 174.397 177.584 0.049 0.000 1.062 115 A CA -2.083 49.994 52.037 0.067 0.000 0.686 115 A CB 1.643 20.656 19.000 0.022 0.000 1.285 115 A HN 0.418 nan 8.150 nan 0.000 0.403 116 P HA 0.190 nan 4.420 nan 0.000 0.268 116 P C -1.970 175.344 177.300 0.024 0.000 1.208 116 P CA -0.745 62.373 63.100 0.029 0.000 0.777 116 P CB 0.287 32.000 31.700 0.022 0.000 0.875 117 P HA -0.128 nan 4.420 nan 0.000 0.220 117 P C 1.149 178.470 177.300 0.035 0.000 1.148 117 P CA 1.489 64.605 63.100 0.026 0.000 0.803 117 P CB -0.151 31.565 31.700 0.027 0.000 0.782 118 Q N -0.997 118.829 119.800 0.043 0.000 2.369 118 Q HA -0.002 4.338 4.340 0.001 0.000 0.206 118 Q C 0.167 176.195 176.000 0.046 0.000 0.963 118 Q CA 0.421 56.265 55.803 0.068 0.000 0.894 118 Q CB -0.126 28.662 28.738 0.083 0.000 0.965 118 Q HN 0.110 nan 8.270 nan 0.000 0.475 119 V N 3.108 123.029 119.914 0.011 0.000 2.387 119 V HA 0.027 4.147 4.120 0.001 0.000 0.260 119 V C 0.645 176.734 176.094 -0.008 0.000 1.054 119 V CA -0.297 61.985 62.300 -0.029 0.000 0.967 119 V CB 0.212 32.013 31.823 -0.037 0.000 1.036 119 V HN 0.297 nan 8.190 nan 0.000 0.481 120 T N 0.881 115.440 114.554 0.009 0.000 2.903 120 T HA 0.027 4.378 4.350 0.001 0.000 0.314 120 T C 0.956 175.672 174.700 0.026 0.000 1.078 120 T CA -0.494 61.632 62.100 0.043 0.000 1.114 120 T CB 0.644 69.570 68.868 0.096 0.000 0.987 120 T HN 0.580 nan 8.240 nan 0.000 0.548 121 D N 1.367 121.765 120.400 -0.004 0.000 2.228 121 D HA -0.088 4.552 4.640 0.001 0.000 0.203 121 D C 2.081 178.345 176.300 -0.059 0.000 0.988 121 D CA 1.338 55.301 54.000 -0.062 0.000 0.864 121 D CB -0.513 40.225 40.800 -0.103 0.000 0.928 121 D HN 0.711 nan 8.370 nan 0.000 0.469 122 T N 0.293 114.866 114.554 0.030 0.000 2.746 122 T HA -0.096 4.255 4.350 0.001 0.000 0.267 122 T C 1.976 176.799 174.700 0.206 0.000 1.039 122 T CA 1.404 63.557 62.100 0.089 0.000 1.142 122 T CB -0.109 68.820 68.868 0.103 0.000 0.866 122 T HN 0.222 nan 8.240 nan 0.000 0.444 123 A N 0.713 123.687 122.820 0.257 0.000 1.968 123 A HA 0.036 4.357 4.320 0.001 0.000 0.217 123 A C 2.502 180.096 177.584 0.018 0.000 1.169 123 A CA 0.928 53.048 52.037 0.139 0.000 0.638 123 A CB -0.693 18.241 19.000 -0.110 0.000 0.812 123 A HN 0.365 nan 8.150 nan 0.000 0.446 124 V N 0.971 120.875 119.914 -0.017 0.000 2.427 124 V HA -0.208 3.913 4.120 0.001 0.000 0.248 124 V C 2.188 178.243 176.094 -0.065 0.000 1.051 124 V CA 1.898 64.164 62.300 -0.056 0.000 1.048 124 V CB -0.911 30.866 31.823 -0.077 0.000 0.666 124 V HN 0.523 nan 8.190 nan 0.000 0.456 125 N N 0.299 118.953 118.700 -0.077 0.000 2.188 125 N HA -0.043 4.698 4.740 0.001 0.000 0.184 125 N C 1.786 177.321 175.510 0.042 0.000 1.018 125 N CA 1.371 54.377 53.050 -0.074 0.000 0.858 125 N CB -0.261 38.111 38.487 -0.191 0.000 0.989 125 N HN 0.418 nan 8.380 nan 0.000 0.426 126 I N 0.456 121.076 120.570 0.083 0.000 2.264 126 I HA -0.218 3.953 4.170 0.001 0.000 0.248 126 I C 1.998 178.124 176.117 0.014 0.000 1.111 126 I CA 0.675 62.034 61.300 0.100 0.000 1.382 126 I CB -0.072 38.035 38.000 0.177 0.000 1.060 126 I HN -0.088 nan 8.210 nan 0.000 0.418 127 V N 0.619 120.509 119.914 -0.040 0.000 2.407 127 V HA -0.261 3.860 4.120 0.001 0.000 0.248 127 V C 2.466 178.473 176.094 -0.145 0.000 1.055 127 V CA 1.758 63.985 62.300 -0.122 0.000 1.049 127 V CB -0.713 31.033 31.823 -0.128 0.000 0.662 127 V HN 0.378 nan 8.190 nan 0.000 0.455 128 R N 0.066 120.512 120.500 -0.089 0.000 2.148 128 R HA -0.079 4.262 4.340 0.001 0.000 0.227 128 R C 2.419 178.690 176.300 -0.047 0.000 1.103 128 R CA 1.223 57.276 56.100 -0.078 0.000 0.983 128 R CB -0.656 29.625 30.300 -0.031 0.000 0.874 128 R HN 0.594 nan 8.270 nan 0.000 0.451 129 G N 1.042 109.836 108.800 -0.010 0.000 2.408 129 G HA2 -0.205 3.755 3.960 0.001 0.000 0.217 129 G HA3 -0.205 3.755 3.960 0.001 0.000 0.217 129 G C 1.399 176.279 174.900 -0.034 0.000 1.150 129 G CA 0.504 45.623 45.100 0.031 0.000 0.776 129 G HN 0.155 nan 8.290 nan 0.000 0.542 130 I N 0.303 120.759 120.570 -0.190 0.000 2.193 130 I HA -0.060 4.110 4.170 0.001 0.000 0.240 130 I C 2.623 178.647 176.117 -0.154 0.000 1.084 130 I CA 0.592 61.664 61.300 -0.381 0.000 1.365 130 I CB -0.240 37.400 38.000 -0.600 0.000 1.064 130 I HN 0.075 nan 8.210 nan 0.000 0.410 131 L N 0.647 121.754 121.223 -0.192 0.000 2.187 131 L HA -0.237 4.104 4.340 0.001 0.000 0.213 131 L C 2.243 179.105 176.870 -0.014 0.000 1.100 131 L CA 1.233 55.972 54.840 -0.169 0.000 0.765 131 L CB -0.861 40.967 42.059 -0.386 0.000 0.904 131 L HN 0.357 nan 8.230 nan 0.000 0.437 132 N N 0.597 119.276 118.700 -0.035 0.000 2.192 132 N HA -0.199 4.542 4.740 0.001 0.000 0.188 132 N C 1.768 177.241 175.510 -0.062 0.000 1.013 132 N CA 1.244 54.277 53.050 -0.029 0.000 0.863 132 N CB -0.146 38.334 38.487 -0.012 0.000 0.990 132 N HN 0.264 nan 8.380 nan 0.000 0.430 133 L N -1.264 119.923 121.223 -0.060 0.000 2.201 133 L HA -0.068 4.273 4.340 0.001 0.000 0.212 133 L C 1.146 177.960 176.870 -0.093 0.000 1.105 133 L CA 0.684 55.459 54.840 -0.108 0.000 0.775 133 L CB -0.366 41.526 42.059 -0.277 0.000 0.913 133 L HN 0.147 nan 8.230 nan 0.000 0.440 134 F N -0.635 119.301 119.950 -0.024 0.000 2.811 134 F HA 0.011 4.538 4.527 0.001 0.000 0.301 134 F C 1.394 177.277 175.800 0.139 0.000 1.151 134 F CA -0.165 57.836 58.000 0.001 0.000 1.412 134 F CB -0.242 38.632 39.000 -0.210 0.000 1.113 134 F HN 0.019 nan 8.300 nan 0.000 0.579 135 Q N 1.772 121.694 119.800 0.202 0.000 2.307 135 Q HA 0.370 4.711 4.340 0.001 0.000 0.261 135 Q C -1.125 174.943 176.000 0.114 0.000 1.051 135 Q CA 0.520 56.437 55.803 0.189 0.000 0.911 135 Q CB 0.175 28.965 28.738 0.086 0.000 1.227 135 Q HN 0.343 nan 8.270 nan 0.000 0.418 136 L N 3.408 124.699 121.223 0.114 0.000 2.471 136 L HA 0.338 4.679 4.340 0.001 0.000 0.263 136 L C -0.527 176.326 176.870 -0.029 0.000 0.985 136 L CA -0.331 54.523 54.840 0.022 0.000 0.868 136 L CB 1.841 43.844 42.059 -0.093 0.000 1.203 136 L HN 0.511 nan 8.230 nan 0.000 0.429 137 S N 4.293 119.962 115.700 -0.052 0.000 3.812 137 S HA 0.376 4.847 4.470 0.001 0.000 0.195 137 S C 0.186 174.557 174.600 -0.382 0.000 1.460 137 S CA -0.443 57.656 58.200 -0.168 0.000 1.052 137 S CB -0.520 62.648 63.200 -0.055 0.000 1.385 137 S HN 0.354 nan 8.310 nan 0.000 0.490 138 L N 2.129 123.152 121.223 -0.333 0.000 2.367 138 L HA 0.318 4.658 4.340 0.001 0.000 0.275 138 L C 0.487 177.110 176.870 -0.412 0.000 1.129 138 L CA -0.124 54.488 54.840 -0.380 0.000 0.839 138 L CB 0.432 42.182 42.059 -0.516 0.000 1.133 138 L HN 0.112 nan 8.230 nan 0.000 0.453 139 K N 3.880 123.826 120.400 -0.757 0.000 2.292 139 K HA 0.188 4.508 4.320 0.001 0.000 0.270 139 K C 0.596 177.001 176.600 -0.325 0.000 1.062 139 K CA -0.687 55.234 56.287 -0.611 0.000 0.916 139 K CB 1.483 33.425 32.500 -0.929 0.000 1.166 139 K HN 0.426 nan 8.250 nan 0.000 0.458 140 K N 1.653 121.970 120.400 -0.138 0.000 2.127 140 K HA -0.305 4.015 4.320 0.001 0.000 0.222 140 K C 0.433 177.031 176.600 -0.004 0.000 1.034 140 K CA 2.182 58.459 56.287 -0.016 0.000 0.955 140 K CB -0.093 32.399 32.500 -0.014 0.000 0.786 140 K HN 0.618 nan 8.250 nan 0.000 0.465 141 N N -0.364 118.317 118.700 -0.032 0.000 2.241 141 N HA 0.047 4.788 4.740 0.001 0.000 0.238 141 N C -0.792 174.729 175.510 0.019 0.000 1.244 141 N CA -0.141 52.912 53.050 0.005 0.000 0.880 141 N CB 0.942 39.434 38.487 0.007 0.000 1.179 141 N HN 0.158 nan 8.380 nan 0.000 0.513 142 Q N 1.173 120.976 119.800 0.005 0.000 2.314 142 Q HA 0.075 4.416 4.340 0.001 0.000 0.257 142 Q C 0.818 176.968 176.000 0.251 0.000 0.975 142 Q CA -0.111 55.748 55.803 0.095 0.000 0.933 142 Q CB 1.552 30.313 28.738 0.037 0.000 1.195 142 Q HN 0.326 nan 8.270 nan 0.000 0.426 143 Q N 2.236 122.141 119.800 0.176 0.000 2.167 143 Q HA -0.091 4.250 4.340 0.001 0.000 0.202 143 Q C 0.009 176.077 176.000 0.114 0.000 0.970 143 Q CA 1.283 57.166 55.803 0.135 0.000 0.855 143 Q CB 0.543 29.324 28.738 0.072 0.000 0.911 143 Q HN 0.645 nan 8.270 nan 0.000 0.438 144 T N -1.481 113.162 114.554 0.150 0.000 2.991 144 T HA 0.570 4.921 4.350 0.001 0.000 0.303 144 T C -0.728 174.062 174.700 0.150 0.000 1.015 144 T CA -0.922 61.186 62.100 0.013 0.000 1.007 144 T CB 1.181 70.056 68.868 0.012 0.000 1.034 144 T HN 0.275 nan 8.240 nan 0.000 0.446 145 F N -0.128 119.865 119.950 0.071 0.000 2.779 145 F HA 0.889 5.417 4.527 0.001 0.000 0.316 145 F C -1.065 174.802 175.800 0.110 0.000 1.164 145 F CA -1.214 56.819 58.000 0.056 0.000 0.924 145 F CB 1.210 40.212 39.000 0.003 0.000 1.348 145 F HN 0.867 nan 8.300 nan 0.000 0.467 146 E N 1.442 121.834 120.200 0.319 0.000 2.408 146 E HA 0.847 5.198 4.350 0.001 0.000 0.275 146 E C -1.770 174.969 176.600 0.233 0.000 0.935 146 E CA -1.225 55.308 56.400 0.221 0.000 0.775 146 E CB 3.373 33.140 29.700 0.112 0.000 1.277 146 E HN 1.286 nan 8.360 nan 0.000 0.455 147 L N -2.088 119.250 121.223 0.192 0.000 2.921 147 L HA 0.357 4.698 4.340 0.001 0.000 0.261 147 L C -1.562 175.382 176.870 0.124 0.000 0.984 147 L CA -1.226 53.703 54.840 0.148 0.000 0.951 147 L CB 1.905 44.057 42.059 0.156 0.000 1.495 147 L HN 0.420 nan 8.230 nan 0.000 0.414 148 Q N 2.464 122.321 119.800 0.094 0.000 2.307 148 Q HA 0.250 4.591 4.340 0.001 0.000 0.261 148 Q C -0.944 175.112 176.000 0.092 0.000 1.051 148 Q CA 0.474 56.328 55.803 0.085 0.000 0.911 148 Q CB 1.218 29.999 28.738 0.072 0.000 1.227 148 Q HN 0.652 nan 8.270 nan 0.000 0.418 149 E N 2.060 122.319 120.200 0.099 0.000 2.210 149 E HA 0.277 4.627 4.350 0.001 0.000 0.266 149 E C -0.917 175.733 176.600 0.084 0.000 0.883 149 E CA -0.481 55.979 56.400 0.101 0.000 0.761 149 E CB 1.344 31.126 29.700 0.137 0.000 1.156 149 E HN 0.311 nan 8.360 nan 0.000 0.412 150 T N 2.240 116.841 114.554 0.079 0.000 2.916 150 T HA 0.475 4.825 4.350 0.001 0.000 0.303 150 T C 0.069 174.806 174.700 0.062 0.000 1.025 150 T CA 0.145 62.291 62.100 0.077 0.000 1.142 150 T CB 1.052 69.962 68.868 0.070 0.000 0.947 150 T HN 0.594 nan 8.240 nan 0.000 0.544 151 G N 0.375 109.212 108.800 0.062 0.000 2.788 151 G HA2 0.458 4.419 3.960 0.001 0.000 0.293 151 G HA3 0.458 4.419 3.960 0.001 0.000 0.293 151 G C 0.732 175.673 174.900 0.067 0.000 1.392 151 G CA -0.359 44.764 45.100 0.040 0.000 0.810 151 G HN 0.537 nan 8.290 nan 0.000 0.508 152 V N -0.358 119.594 119.914 0.063 0.000 2.490 152 V HA -0.044 4.077 4.120 0.001 0.000 0.250 152 V C 2.081 178.240 176.094 0.109 0.000 1.061 152 V CA 2.767 65.122 62.300 0.091 0.000 1.064 152 V CB -0.362 31.513 31.823 0.086 0.000 0.670 152 V HN 0.788 nan 8.190 nan 0.000 0.461 153 E N -0.369 119.881 120.200 0.084 0.000 2.481 153 E HA 0.331 4.682 4.350 0.001 0.000 0.195 153 E C 0.881 177.542 176.600 0.103 0.000 1.047 153 E CA 0.496 56.939 56.400 0.071 0.000 0.867 153 E CB 0.216 29.948 29.700 0.053 0.000 0.858 153 E HN 0.791 nan 8.360 nan 0.000 0.513 154 G N 0.740 109.620 108.800 0.134 0.000 2.298 154 G HA2 -0.117 3.844 3.960 0.001 0.000 0.309 154 G HA3 -0.117 3.844 3.960 0.001 0.000 0.309 154 G C -1.118 173.876 174.900 0.157 0.000 1.279 154 G CA -0.954 44.260 45.100 0.189 0.000 1.042 154 G HN 0.057 nan 8.290 nan 0.000 0.480 155 I N 1.125 121.802 120.570 0.178 0.000 2.330 155 I HA 0.443 4.614 4.170 0.001 0.000 0.286 155 I C 0.128 176.311 176.117 0.110 0.000 1.025 155 I CA -0.538 60.842 61.300 0.132 0.000 1.197 155 I CB 0.733 38.816 38.000 0.138 0.000 1.358 155 I HN 0.566 nan 8.210 nan 0.000 0.467 156 c N 3.544 122.196 118.600 0.087 0.000 2.719 156 c HA 0.387 4.958 4.570 0.001 0.000 0.327 156 c C 0.325 174.456 174.090 0.067 0.000 1.238 156 c CA -0.719 55.652 56.329 0.071 0.000 1.727 156 c CB 1.538 44.085 42.510 0.061 0.000 2.256 156 c HN 0.633 nan 8.230 nan 0.000 0.489 157 Q N 1.447 121.281 119.800 0.056 0.000 2.247 157 Q HA 0.291 4.631 4.340 0.001 0.000 0.288 157 Q C -0.483 175.546 176.000 0.048 0.000 1.079 157 Q CA 1.355 57.191 55.803 0.054 0.000 0.932 157 Q CB 0.160 28.921 28.738 0.038 0.000 1.133 157 Q HN 0.823 nan 8.270 nan 0.000 0.377 158 T N 4.144 118.737 114.554 0.066 0.000 2.848 158 T HA 0.561 4.912 4.350 0.001 0.000 0.285 158 T C -0.920 173.807 174.700 0.044 0.000 0.995 158 T CA -0.719 61.404 62.100 0.037 0.000 0.970 158 T CB 1.623 70.535 68.868 0.073 0.000 0.976 158 T HN 0.558 nan 8.240 nan 0.000 0.441 159 T N 2.750 117.267 114.554 -0.062 0.000 2.863 159 T HA 0.608 4.958 4.350 0.001 0.000 0.285 159 T C -1.302 173.235 174.700 -0.272 0.000 1.009 159 T CA -0.537 61.513 62.100 -0.083 0.000 0.989 159 T CB 0.805 69.629 68.868 -0.074 0.000 1.004 159 T HN 0.411 nan 8.240 nan 0.000 0.455 160 Y N 0.769 120.793 120.300 -0.459 0.000 2.429 160 Y HA 0.619 5.170 4.550 0.001 0.000 0.342 160 Y C -0.235 175.337 175.900 -0.546 0.000 1.004 160 Y CA -0.971 56.765 58.100 -0.606 0.000 1.075 160 Y CB 1.749 39.427 38.460 -1.304 0.000 1.214 160 Y HN 0.311 nan 8.280 nan 0.000 0.455 161 V N 4.213 124.023 119.914 -0.174 0.000 2.407 161 V HA 0.442 4.562 4.120 0.001 0.000 0.291 161 V C -0.846 175.224 176.094 -0.040 0.000 1.018 161 V CA -0.883 61.353 62.300 -0.107 0.000 0.842 161 V CB 1.530 33.310 31.823 -0.072 0.000 0.996 161 V HN 0.502 nan 8.190 nan 0.000 0.426 162 V N 5.679 125.589 119.914 -0.007 0.000 2.398 162 V HA 0.537 4.658 4.120 0.001 0.000 0.286 162 V C -0.176 175.931 176.094 0.022 0.000 1.026 162 V CA -0.408 61.911 62.300 0.031 0.000 0.868 162 V CB 1.597 33.470 31.823 0.083 0.000 0.982 162 V HN 0.951 nan 8.190 nan 0.000 0.443 163 Q N 2.250 122.055 119.800 0.008 0.000 2.458 163 Q HA 0.573 4.914 4.340 0.001 0.000 0.282 163 Q C -1.304 174.693 176.000 -0.005 0.000 1.106 163 Q CA -1.097 54.703 55.803 -0.004 0.000 0.814 163 Q CB 2.512 31.232 28.738 -0.031 0.000 1.425 163 Q HN 0.544 nan 8.270 nan 0.000 0.437 164 E N 0.749 120.944 120.200 -0.008 0.000 2.259 164 E HA 0.360 4.711 4.350 0.001 0.000 0.281 164 E C -0.042 176.521 176.600 -0.063 0.000 1.027 164 E CA -0.022 56.376 56.400 -0.003 0.000 0.838 164 E CB 1.110 30.821 29.700 0.019 0.000 1.066 164 E HN 0.700 nan 8.360 nan 0.000 0.401 165 G N 1.306 110.066 108.800 -0.068 0.000 2.508 165 G HA2 0.143 4.103 3.960 0.001 0.000 0.278 165 G HA3 0.143 4.103 3.960 0.001 0.000 0.278 165 G C -0.098 174.736 174.900 -0.111 0.000 1.389 165 G CA -0.110 44.860 45.100 -0.217 0.000 1.050 165 G HN 0.565 nan 8.290 nan 0.000 0.522 166 Y N -1.095 119.246 120.300 0.068 0.000 2.396 166 Y HA 0.415 4.966 4.550 0.001 0.000 0.292 166 Y C 1.894 177.835 175.900 0.068 0.000 1.128 166 Y CA -0.808 57.328 58.100 0.060 0.000 1.194 166 Y CB -1.047 37.442 38.460 0.047 0.000 1.124 166 Y HN 0.207 nan 8.280 nan 0.000 0.543 167 R N 0.712 121.449 120.500 0.395 0.000 2.971 167 R HA 0.089 4.430 4.340 0.001 0.000 0.278 167 R C 0.379 176.789 176.300 0.184 0.000 1.022 167 R CA 0.832 57.071 56.100 0.232 0.000 1.187 167 R CB 0.030 30.475 30.300 0.242 0.000 1.126 167 R HN 0.246 nan 8.270 nan 0.000 0.510 168 T N -0.297 114.333 114.554 0.127 0.000 2.918 168 T HA 0.186 4.537 4.350 0.001 0.000 0.283 168 T C 0.465 175.226 174.700 0.101 0.000 1.001 168 T CA 0.139 62.297 62.100 0.097 0.000 1.041 168 T CB 0.381 69.284 68.868 0.058 0.000 1.028 168 T HN 0.801 nan 8.240 nan 0.000 0.511 169 N N -0.196 118.563 118.700 0.098 0.000 2.927 169 N HA -0.192 4.549 4.740 0.001 0.000 0.215 169 N C -0.096 175.540 175.510 0.211 0.000 0.868 169 N CA 1.374 54.494 53.050 0.117 0.000 1.075 169 N CB -0.745 37.773 38.487 0.053 0.000 0.989 169 N HN 0.800 nan 8.380 nan 0.000 0.609 170 E N 0.965 121.314 120.200 0.247 0.000 2.343 170 E HA 0.436 4.787 4.350 0.001 0.000 0.269 170 E C -0.555 176.151 176.600 0.177 0.000 1.047 170 E CA 0.029 56.619 56.400 0.317 0.000 0.874 170 E CB 0.699 30.602 29.700 0.339 0.000 1.033 170 E HN 0.105 nan 8.360 nan 0.000 0.409 171 M N 2.188 121.873 119.600 0.141 0.000 2.572 171 M HA 0.545 5.025 4.480 0.001 0.000 0.299 171 M C -1.126 175.198 176.300 0.040 0.000 1.205 171 M CA -1.043 54.300 55.300 0.072 0.000 0.876 171 M CB 2.327 34.965 32.600 0.064 0.000 1.728 171 M HN 0.506 nan 8.290 nan 0.000 0.458 172 A N 1.998 124.823 122.820 0.008 0.000 2.271 172 A HA 0.803 5.123 4.320 0.001 0.000 0.317 172 A C -0.818 176.786 177.584 0.032 0.000 1.245 172 A CA -0.621 51.421 52.037 0.009 0.000 0.857 172 A CB 0.707 19.678 19.000 -0.048 0.000 1.175 172 A HN 0.609 nan 8.150 nan 0.000 0.512 173 V N 2.450 122.417 119.914 0.089 0.000 2.735 173 V HA 0.709 4.830 4.120 0.001 0.000 0.310 173 V C -0.620 175.574 176.094 0.167 0.000 1.061 173 V CA -0.597 61.767 62.300 0.106 0.000 0.913 173 V CB 1.808 33.684 31.823 0.088 0.000 1.005 173 V HN 0.903 nan 8.190 nan 0.000 0.428 174 V N 5.248 125.208 119.914 0.077 0.000 2.668 174 V HA 0.724 4.844 4.120 0.001 0.000 0.304 174 V C -0.860 175.179 176.094 -0.093 0.000 1.071 174 V CA -0.468 61.852 62.300 0.034 0.000 0.894 174 V CB 1.869 33.679 31.823 -0.023 0.000 1.008 174 V HN 1.031 nan 8.190 nan 0.000 0.425 175 K N 3.069 123.401 120.400 -0.114 0.000 2.385 175 K HA 0.855 5.176 4.320 0.001 0.000 0.248 175 K C -1.165 175.358 176.600 -0.128 0.000 0.955 175 K CA -0.672 55.398 56.287 -0.362 0.000 0.816 175 K CB 2.417 34.373 32.500 -0.908 0.000 1.250 175 K HN 0.584 nan 8.250 nan 0.000 0.434 176 T N 0.653 115.116 114.554 -0.152 0.000 2.916 176 T HA 0.369 4.719 4.350 0.001 0.000 0.298 176 T C -1.606 173.080 174.700 -0.025 0.000 1.031 176 T CA -0.841 61.230 62.100 -0.047 0.000 0.993 176 T CB 1.151 69.977 68.868 -0.070 0.000 1.045 176 T HN 0.622 nan 8.240 nan 0.000 0.454 177 K N 3.221 123.643 120.400 0.036 0.000 2.244 177 K HA 0.342 4.663 4.320 0.001 0.000 0.260 177 K C -1.076 175.536 176.600 0.020 0.000 0.951 177 K CA -0.930 55.382 56.287 0.042 0.000 0.826 177 K CB 1.423 33.985 32.500 0.104 0.000 1.108 177 K HN 0.514 nan 8.250 nan 0.000 0.433 178 D N 4.394 124.802 120.400 0.014 0.000 2.411 178 D HA 0.101 4.742 4.640 0.001 0.000 0.225 178 D C 0.612 176.919 176.300 0.012 0.000 1.156 178 D CA -0.244 53.758 54.000 0.004 0.000 0.874 178 D CB 0.680 41.481 40.800 0.001 0.000 1.034 178 D HN 0.450 nan 8.370 nan 0.000 0.502 179 L N 2.982 124.209 121.223 0.008 0.000 2.552 179 L HA 0.037 4.377 4.340 0.001 0.000 0.227 179 L C 1.046 177.916 176.870 -0.001 0.000 1.146 179 L CA 0.416 55.264 54.840 0.012 0.000 0.858 179 L CB -0.205 41.862 42.059 0.012 0.000 0.969 179 L HN 0.268 nan 8.230 nan 0.000 0.451 180 N N -0.485 118.208 118.700 -0.011 0.000 2.270 180 N HA -0.019 4.721 4.740 0.001 0.000 0.198 180 N C 0.238 175.743 175.510 -0.010 0.000 1.117 180 N CA -0.043 52.994 53.050 -0.021 0.000 0.845 180 N CB 0.202 38.670 38.487 -0.032 0.000 0.980 180 N HN 0.063 nan 8.380 nan 0.000 0.486 181 N N 0.986 119.688 118.700 0.005 0.000 2.804 181 N HA 0.252 4.992 4.740 0.001 0.000 0.251 181 N C -1.900 173.628 175.510 0.030 0.000 1.250 181 N CA -0.383 52.675 53.050 0.014 0.000 0.820 181 N CB 0.116 38.610 38.487 0.013 0.000 1.156 181 N HN -0.023 nan 8.380 nan 0.000 0.512 182 c N 0.869 119.490 118.600 0.036 0.000 2.498 182 c HA 0.399 4.970 4.570 0.001 0.000 0.316 182 c C 1.223 175.358 174.090 0.074 0.000 1.209 182 c CA -0.778 55.586 56.329 0.057 0.000 1.518 182 c CB 1.773 44.316 42.510 0.056 0.000 2.147 182 c HN 0.543 nan 8.230 nan 0.000 0.483 183 D N -0.108 120.349 120.400 0.095 0.000 2.219 183 D HA -0.028 4.613 4.640 0.001 0.000 0.205 183 D C 0.375 176.787 176.300 0.187 0.000 0.970 183 D CA 1.719 55.787 54.000 0.114 0.000 0.851 183 D CB 0.005 40.868 40.800 0.105 0.000 0.943 183 D HN 0.793 nan 8.370 nan 0.000 0.488 184 H N -0.758 118.356 119.070 0.074 0.000 3.083 184 H HA 0.323 4.880 4.556 0.001 0.000 0.339 184 H C -1.314 174.086 175.328 0.120 0.000 1.020 184 H CA -0.784 55.319 56.048 0.093 0.000 1.360 184 H CB 0.985 30.793 29.762 0.076 0.000 1.811 184 H HN -0.315 nan 8.280 nan 0.000 0.493 185 K N 4.814 125.050 120.400 -0.273 0.000 2.235 185 K HA 0.461 4.782 4.320 0.001 0.000 0.266 185 K C -1.016 175.501 176.600 -0.138 0.000 0.980 185 K CA -0.915 55.319 56.287 -0.088 0.000 0.849 185 K CB 1.297 33.818 32.500 0.034 0.000 1.098 185 K HN 0.390 nan 8.250 nan 0.000 0.445 186 V N 6.230 126.158 119.914 0.025 0.000 2.461 186 V HA 0.309 4.430 4.120 0.001 0.000 0.275 186 V C -0.800 175.489 176.094 0.326 0.000 1.047 186 V CA -0.124 62.264 62.300 0.147 0.000 0.955 186 V CB -0.148 31.816 31.823 0.235 0.000 0.988 186 V HN 0.809 nan 8.190 nan 0.000 0.471 187 Y N 3.437 123.784 120.300 0.079 0.000 2.687 187 Y HA 0.735 5.286 4.550 0.001 0.000 0.338 187 Y C -1.438 174.247 175.900 -0.359 0.000 1.189 187 Y CA -1.534 56.508 58.100 -0.098 0.000 1.097 187 Y CB 1.335 39.637 38.460 -0.263 0.000 1.342 187 Y HN 0.320 nan 8.280 nan 0.000 0.461 188 K N 1.737 121.760 120.400 -0.628 0.000 2.426 188 K HA 0.707 5.028 4.320 0.001 0.000 0.251 188 K C -1.159 175.212 176.600 -0.380 0.000 0.941 188 K CA -0.361 55.487 56.287 -0.730 0.000 0.808 188 K CB 2.362 34.225 32.500 -1.062 0.000 1.265 188 K HN 1.024 nan 8.250 nan 0.000 0.432 189 T N -1.194 113.206 114.554 -0.256 0.000 2.916 189 T HA 0.765 5.116 4.350 0.001 0.000 0.292 189 T C -0.323 174.304 174.700 -0.122 0.000 1.055 189 T CA -0.914 61.131 62.100 -0.091 0.000 1.009 189 T CB 1.873 70.767 68.868 0.045 0.000 1.118 189 T HN 0.584 nan 8.240 nan 0.000 0.497 190 M N 1.251 120.805 119.600 -0.077 0.000 2.378 190 M HA 0.556 5.037 4.480 0.001 0.000 0.289 190 M C 0.508 176.767 176.300 -0.068 0.000 1.136 190 M CA 0.530 55.782 55.300 -0.079 0.000 0.917 190 M CB 1.416 33.980 32.600 -0.059 0.000 1.669 190 M HN 1.417 nan 8.290 nan 0.000 0.461 191 G N 1.779 110.522 108.800 -0.095 0.000 2.157 191 G HA2 -0.255 3.706 3.960 0.001 0.000 0.248 191 G HA3 -0.255 3.706 3.960 0.001 0.000 0.248 191 G C 0.233 175.047 174.900 -0.143 0.000 0.979 191 G CA 0.697 45.735 45.100 -0.103 0.000 0.650 191 G HN 1.103 nan 8.290 nan 0.000 0.529 192 T N -3.068 111.393 114.554 -0.155 0.000 3.132 192 T HA 0.663 5.014 4.350 0.001 0.000 0.274 192 T C 2.095 176.701 174.700 -0.157 0.000 1.011 192 T CA 1.144 63.151 62.100 -0.155 0.000 0.899 192 T CB 0.779 69.559 68.868 -0.147 0.000 1.089 192 T HN 1.275 nan 8.240 nan 0.000 0.543 193 A N 1.141 123.808 122.820 -0.254 0.000 1.940 193 A HA -0.011 4.310 4.320 0.001 0.000 0.219 193 A C 1.602 179.178 177.584 -0.013 0.000 1.176 193 A CA 1.124 53.026 52.037 -0.225 0.000 0.631 193 A CB -0.896 17.883 19.000 -0.368 0.000 0.814 193 A HN 0.596 nan 8.150 nan 0.000 0.446 194 Y N -0.462 119.895 120.300 0.096 0.000 2.490 194 Y HA 0.483 5.034 4.550 0.001 0.000 0.281 194 Y C 1.412 177.378 175.900 0.110 0.000 1.174 194 Y CA -0.689 57.474 58.100 0.105 0.000 1.295 194 Y CB -0.903 37.511 38.460 -0.077 0.000 1.062 194 Y HN 0.279 nan 8.280 nan 0.000 0.522 195 A N 1.145 124.080 122.820 0.191 0.000 2.450 195 A HA 0.338 4.659 4.320 0.001 0.000 0.255 195 A C 0.008 177.774 177.584 0.302 0.000 1.096 195 A CA -0.376 51.777 52.037 0.194 0.000 0.778 195 A CB -0.070 18.921 19.000 -0.015 0.000 1.031 195 A HN 0.411 nan 8.150 nan 0.000 0.494 196 E N 1.863 122.260 120.200 0.328 0.000 2.158 196 E HA 0.315 4.666 4.350 0.001 0.000 0.271 196 E C -0.386 176.333 176.600 0.198 0.000 0.911 196 E CA -0.845 55.713 56.400 0.263 0.000 0.767 196 E CB 1.786 31.589 29.700 0.172 0.000 1.120 196 E HN 0.673 nan 8.360 nan 0.000 0.405 197 R N 1.870 122.420 120.500 0.083 0.000 2.504 197 R HA -0.038 4.302 4.340 0.001 0.000 0.291 197 R C -0.695 175.451 176.300 -0.257 0.000 0.974 197 R CA 0.219 56.114 56.100 -0.342 0.000 1.077 197 R CB 0.233 30.411 30.300 -0.204 0.000 0.926 197 R HN 0.604 nan 8.270 nan 0.000 0.407 198 C N 9.175 128.269 119.300 -0.344 0.000 2.248 198 C HA 0.423 4.884 4.460 0.001 0.000 0.320 198 C C -1.424 173.430 174.990 -0.226 0.000 1.065 198 C CA -2.638 56.243 59.018 -0.229 0.000 1.558 198 C CB 0.365 27.997 27.740 -0.180 0.000 1.787 198 C HN 0.753 nan 8.230 nan 0.000 0.426 199 P HA -0.147 nan 4.420 nan 0.000 0.218 199 P C 1.665 178.882 177.300 -0.139 0.000 1.152 199 P CA 2.010 65.019 63.100 -0.152 0.000 0.857 199 P CB 0.150 31.778 31.700 -0.120 0.000 0.787 200 T N -1.456 113.008 114.554 -0.151 0.000 2.732 200 T HA -0.130 4.220 4.350 0.001 0.000 0.261 200 T C 1.781 176.393 174.700 -0.147 0.000 1.040 200 T CA 1.540 63.553 62.100 -0.144 0.000 1.145 200 T CB -1.229 67.541 68.868 -0.163 0.000 0.866 200 T HN 0.154 nan 8.240 nan 0.000 0.427 201 C N 1.959 121.156 119.300 -0.172 0.000 2.411 201 C HA -0.083 4.378 4.460 0.001 0.000 0.279 201 C C 2.778 177.720 174.990 -0.080 0.000 1.288 201 C CA 0.441 59.383 59.018 -0.128 0.000 1.764 201 C CB -1.258 26.429 27.740 -0.088 0.000 1.974 201 C HN 0.581 nan 8.230 nan 0.000 0.498 202 Q N 0.676 120.404 119.800 -0.119 0.000 2.311 202 Q HA -0.069 4.272 4.340 0.001 0.000 0.203 202 Q C 2.034 177.992 176.000 -0.071 0.000 0.954 202 Q CA 0.775 56.516 55.803 -0.103 0.000 0.885 202 Q CB -0.154 28.494 28.738 -0.150 0.000 0.963 202 Q HN 0.726 nan 8.270 nan 0.000 0.471 203 K N 0.153 120.509 120.400 -0.073 0.000 2.296 203 K HA 0.052 4.373 4.320 0.001 0.000 0.200 203 K C 1.907 178.485 176.600 -0.037 0.000 1.048 203 K CA 0.582 56.837 56.287 -0.054 0.000 0.966 203 K CB 0.087 32.553 32.500 -0.056 0.000 0.754 203 K HN 0.189 nan 8.250 nan 0.000 0.466 204 M N 0.192 119.772 119.600 -0.034 0.000 2.254 204 M HA -0.060 4.420 4.480 0.001 0.000 0.265 204 M C 0.672 176.982 176.300 0.016 0.000 1.066 204 M CA 0.915 56.212 55.300 -0.005 0.000 1.123 204 M CB 0.143 32.748 32.600 0.008 0.000 1.388 204 M HN 0.092 nan 8.290 nan 0.000 0.425 205 N N -0.019 118.689 118.700 0.014 0.000 2.555 205 N HA 0.141 4.882 4.740 0.001 0.000 0.265 205 N C -1.900 173.612 175.510 0.003 0.000 1.135 205 N CA -0.346 52.717 53.050 0.021 0.000 0.925 205 N CB 1.670 40.192 38.487 0.058 0.000 1.662 205 N HN -0.195 nan 8.380 nan 0.000 0.489 206 K N 2.169 122.564 120.400 -0.008 0.000 2.274 206 K HA 0.344 4.665 4.320 0.001 0.000 0.262 206 K C 0.273 176.856 176.600 -0.029 0.000 0.961 206 K CA -0.443 55.830 56.287 -0.025 0.000 0.833 206 K CB 1.165 33.644 32.500 -0.035 0.000 1.102 206 K HN 0.616 nan 8.250 nan 0.000 0.436 207 N N 0.833 119.512 118.700 -0.036 0.000 2.333 207 N HA -0.078 4.663 4.740 0.001 0.000 0.178 207 N C -0.095 175.360 175.510 -0.093 0.000 1.018 207 N CA 0.396 53.414 53.050 -0.054 0.000 0.882 207 N CB 0.178 38.637 38.487 -0.047 0.000 0.984 207 N HN 0.191 nan 8.380 nan 0.000 0.434 208 L N 1.217 122.368 121.223 -0.120 0.000 2.345 208 L HA 0.410 4.751 4.340 0.001 0.000 0.274 208 L C -1.144 175.665 176.870 -0.102 0.000 0.999 208 L CA -0.491 54.265 54.840 -0.140 0.000 0.849 208 L CB 0.942 42.852 42.059 -0.250 0.000 1.220 208 L HN -0.097 nan 8.230 nan 0.000 0.422 209 R N 3.093 123.549 120.500 -0.073 0.000 2.514 209 R HA 0.833 5.174 4.340 0.001 0.000 0.301 209 R C -0.852 175.417 176.300 -0.051 0.000 0.962 209 R CA -0.624 55.442 56.100 -0.056 0.000 0.882 209 R CB 2.009 32.283 30.300 -0.044 0.000 1.143 209 R HN 0.644 nan 8.270 nan 0.000 0.452 210 S N 0.369 116.043 115.700 -0.044 0.000 2.540 210 S HA 0.570 5.040 4.470 0.001 0.000 0.275 210 S C -1.053 173.526 174.600 -0.035 0.000 1.123 210 S CA -0.680 57.496 58.200 -0.040 0.000 0.907 210 S CB 2.438 65.621 63.200 -0.029 0.000 1.081 210 S HN 0.575 nan 8.310 nan 0.000 0.476 211 T N 0.740 115.267 114.554 -0.044 0.000 2.885 211 T HA 0.733 5.083 4.350 0.001 0.000 0.322 211 T C -1.983 172.673 174.700 -0.073 0.000 1.387 211 T CA -0.297 61.776 62.100 -0.044 0.000 1.041 211 T CB 1.384 70.224 68.868 -0.047 0.000 1.287 211 T HN 0.980 nan 8.240 nan 0.000 0.491 212 A N 2.525 125.305 122.820 -0.067 0.000 2.449 212 A HA 0.829 5.150 4.320 0.001 0.000 0.302 212 A C -1.418 176.048 177.584 -0.196 0.000 1.048 212 A CA -0.557 51.378 52.037 -0.170 0.000 0.708 212 A CB 1.892 20.839 19.000 -0.089 0.000 1.274 212 A HN 0.806 nan 8.150 nan 0.000 0.410 213 V N 2.447 122.132 119.914 -0.382 0.000 2.531 213 V HA 0.454 4.575 4.120 0.001 0.000 0.301 213 V C -1.566 174.256 176.094 -0.453 0.000 1.034 213 V CA -0.377 61.766 62.300 -0.261 0.000 0.865 213 V CB 1.327 33.033 31.823 -0.195 0.000 0.995 213 V HN 0.781 nan 8.190 nan 0.000 0.424 214 Y N 2.985 123.180 120.300 -0.176 0.000 2.335 214 Y HA 0.573 5.124 4.550 0.001 0.000 0.338 214 Y C 0.248 175.964 175.900 -0.306 0.000 0.977 214 Y CA -0.704 57.224 58.100 -0.288 0.000 1.114 214 Y CB 1.720 40.033 38.460 -0.244 0.000 1.182 214 Y HN 0.630 nan 8.280 nan 0.000 0.463 215 N N 2.545 121.078 118.700 -0.278 0.000 2.399 215 N HA 0.385 5.126 4.740 0.001 0.000 0.280 215 N C -2.018 173.356 175.510 -0.226 0.000 1.008 215 N CA -0.702 52.252 53.050 -0.161 0.000 0.894 215 N CB 0.646 39.066 38.487 -0.111 0.000 1.273 215 N HN 0.430 nan 8.380 nan 0.000 0.486 216 Y N 0.763 121.078 120.300 0.026 0.000 2.446 216 Y HA 0.697 5.248 4.550 0.001 0.000 0.345 216 Y C 0.040 175.939 175.900 -0.003 0.000 0.984 216 Y CA -1.276 56.832 58.100 0.014 0.000 1.058 216 Y CB 2.100 40.555 38.460 -0.009 0.000 1.220 216 Y HN 0.542 nan 8.280 nan 0.000 0.455 217 A N 4.215 127.124 122.820 0.147 0.000 2.256 217 A HA 0.769 5.090 4.320 0.001 0.000 0.317 217 A C -0.907 176.659 177.584 -0.031 0.000 1.318 217 A CA -0.424 51.640 52.037 0.045 0.000 0.894 217 A CB -0.150 18.854 19.000 0.007 0.000 1.165 217 A HN 0.754 nan 8.150 nan 0.000 0.525 218 I N 1.748 122.311 120.570 -0.012 0.000 2.646 218 I HA 0.474 4.645 4.170 0.001 0.000 0.299 218 I C -1.170 175.011 176.117 0.106 0.000 1.036 218 I CA -0.565 60.728 61.300 -0.012 0.000 1.074 218 I CB 2.085 40.102 38.000 0.027 0.000 1.258 218 I HN 0.507 nan 8.210 nan 0.000 0.430 219 F N 2.939 122.992 119.950 0.172 0.000 2.411 219 F HA 0.245 4.772 4.527 0.001 0.000 0.352 219 F C 0.319 176.226 175.800 0.178 0.000 1.123 219 F CA -1.321 56.773 58.000 0.156 0.000 1.044 219 F CB 0.785 39.870 39.000 0.142 0.000 1.135 219 F HN 0.296 nan 8.300 nan 0.000 0.461 220 D N 3.330 123.951 120.400 0.369 0.000 2.402 220 D HA 0.169 4.809 4.640 0.001 0.000 0.235 220 D C -0.545 175.810 176.300 0.092 0.000 1.226 220 D CA 0.169 54.311 54.000 0.237 0.000 0.918 220 D CB 0.070 41.011 40.800 0.236 0.000 1.043 220 D HN 0.449 nan 8.370 nan 0.000 0.506 221 E N 2.939 123.165 120.200 0.044 0.000 2.212 221 E HA 0.349 4.700 4.350 0.001 0.000 0.268 221 E C -1.650 174.911 176.600 -0.064 0.000 0.902 221 E CA -2.097 54.305 56.400 0.002 0.000 0.779 221 E CB 1.777 31.506 29.700 0.049 0.000 1.172 221 E HN 0.108 nan 8.360 nan 0.000 0.409 222 P HA -0.310 nan 4.420 nan 0.000 0.219 222 P C 1.196 178.449 177.300 -0.078 0.000 1.151 222 P CA 1.820 64.876 63.100 -0.073 0.000 0.850 222 P CB 0.171 31.845 31.700 -0.044 0.000 0.784 223 S N -1.783 113.893 115.700 -0.040 0.000 2.442 223 S HA 0.115 4.586 4.470 0.001 0.000 0.236 223 S C 1.053 175.597 174.600 -0.093 0.000 1.007 223 S CA 1.017 59.201 58.200 -0.026 0.000 0.965 223 S CB -0.926 62.307 63.200 0.054 0.000 0.773 223 S HN 0.394 nan 8.310 nan 0.000 0.504 224 G N -0.800 107.905 108.800 -0.159 0.000 2.355 224 G HA2 0.127 4.088 3.960 0.001 0.000 0.619 224 G HA3 0.127 4.088 3.960 0.001 0.000 0.619 224 G C -1.231 173.534 174.900 -0.225 0.000 1.337 224 G CA -0.704 44.222 45.100 -0.290 0.000 0.993 224 G HN 0.234 nan 8.290 nan 0.000 0.599 225 Y N -0.271 120.000 120.300 -0.049 0.000 2.650 225 Y HA 0.381 4.932 4.550 0.001 0.000 0.331 225 Y C 1.407 177.306 175.900 -0.003 0.000 1.165 225 Y CA 0.665 58.759 58.100 -0.009 0.000 1.473 225 Y CB 0.163 38.598 38.460 -0.042 0.000 1.224 225 Y HN 0.686 nan 8.280 nan 0.000 0.533 226 I N 1.573 122.284 120.570 0.234 0.000 2.474 226 I HA 0.566 4.737 4.170 0.001 0.000 0.294 226 I C -0.817 175.420 176.117 0.200 0.000 1.005 226 I CA -1.014 60.410 61.300 0.206 0.000 1.113 226 I CB 1.359 39.526 38.000 0.278 0.000 1.289 226 I HN 0.360 nan 8.210 nan 0.000 0.436 227 I N 5.945 126.658 120.570 0.238 0.000 2.416 227 I HA 0.231 4.401 4.170 0.001 0.000 0.288 227 I C 1.248 177.480 176.117 0.192 0.000 1.051 227 I CA -0.163 61.247 61.300 0.183 0.000 1.375 227 I CB 1.216 39.314 38.000 0.163 0.000 1.407 227 I HN 0.837 nan 8.210 nan 0.000 0.516 228 K N 4.429 124.771 120.400 -0.096 0.000 2.044 228 K HA 0.023 4.344 4.320 0.001 0.000 0.204 228 K C 0.380 176.994 176.600 0.023 0.000 1.045 228 K CA 0.897 57.071 56.287 -0.188 0.000 0.951 228 K CB 0.346 32.494 32.500 -0.588 0.000 0.738 228 K HN 0.772 nan 8.250 nan 0.000 0.443 229 S N -1.059 114.656 115.700 0.025 0.000 2.556 229 S HA 0.740 5.211 4.470 0.001 0.000 0.271 229 S C -1.339 173.243 174.600 -0.030 0.000 1.135 229 S CA -0.958 57.254 58.200 0.019 0.000 0.858 229 S CB 2.130 65.352 63.200 0.037 0.000 1.114 229 S HN 0.247 nan 8.310 nan 0.000 0.468 230 A N 1.378 124.066 122.820 -0.220 0.000 2.422 230 A HA 0.849 5.170 4.320 0.001 0.000 0.302 230 A C -1.537 175.759 177.584 -0.481 0.000 1.041 230 A CA -0.688 51.141 52.037 -0.347 0.000 0.708 230 A CB 0.922 19.681 19.000 -0.403 0.000 1.257 230 A HN 0.931 nan 8.150 nan 0.000 0.414 231 H N 0.422 119.310 119.070 -0.303 0.000 2.679 231 H HA 0.692 5.249 4.556 0.001 0.000 0.360 231 H C -0.013 175.121 175.328 -0.323 0.000 1.105 231 H CA -0.116 55.783 56.048 -0.249 0.000 1.196 231 H CB 2.018 31.666 29.762 -0.190 0.000 1.636 231 H HN 0.745 nan 8.280 nan 0.000 0.531 232 S N 1.383 116.942 115.700 -0.236 0.000 2.607 232 S HA 0.698 5.169 4.470 0.001 0.000 0.303 232 S C -0.556 173.809 174.600 -0.391 0.000 1.086 232 S CA -0.914 57.014 58.200 -0.454 0.000 0.995 232 S CB 2.703 65.522 63.200 -0.634 0.000 1.084 232 S HN 0.657 nan 8.310 nan 0.000 0.507 233 E N 0.282 120.217 120.200 -0.442 0.000 2.278 233 E HA 0.488 4.839 4.350 0.001 0.000 0.272 233 E C -1.463 174.934 176.600 -0.339 0.000 0.890 233 E CA -0.375 55.828 56.400 -0.328 0.000 0.770 233 E CB 1.720 31.282 29.700 -0.229 0.000 1.212 233 E HN 0.759 nan 8.360 nan 0.000 0.415 234 E N 5.059 125.092 120.200 -0.278 0.000 2.293 234 E HA 0.453 4.804 4.350 0.001 0.000 0.270 234 E C -1.083 175.425 176.600 -0.153 0.000 0.879 234 E CA -0.836 55.435 56.400 -0.215 0.000 0.756 234 E CB 1.052 30.631 29.700 -0.202 0.000 1.208 234 E HN 0.480 nan 8.360 nan 0.000 0.428 235 I N 3.392 123.893 120.570 -0.115 0.000 2.498 235 I HA 0.244 4.415 4.170 0.001 0.000 0.290 235 I C -0.734 175.340 176.117 -0.073 0.000 1.032 235 I CA -0.784 60.462 61.300 -0.091 0.000 1.073 235 I CB 1.799 39.755 38.000 -0.074 0.000 1.251 235 I HN 0.570 nan 8.210 nan 0.000 0.426 236 Q N 5.870 125.630 119.800 -0.067 0.000 2.357 236 Q HA 0.371 4.711 4.340 0.001 0.000 0.266 236 Q C -0.736 175.232 176.000 -0.054 0.000 1.021 236 Q CA -0.391 55.380 55.803 -0.053 0.000 0.784 236 Q CB 2.807 31.521 28.738 -0.040 0.000 1.243 236 Q HN 0.560 nan 8.270 nan 0.000 0.465 237 Q N 3.221 122.990 119.800 -0.052 0.000 2.357 237 Q HA 0.430 4.770 4.340 0.001 0.000 0.266 237 Q C -1.511 174.456 176.000 -0.055 0.000 1.021 237 Q CA -0.724 55.051 55.803 -0.046 0.000 0.784 237 Q CB 1.213 29.929 28.738 -0.037 0.000 1.243 237 Q HN 0.508 nan 8.270 nan 0.000 0.465 238 L N 3.099 124.288 121.223 -0.056 0.000 2.275 238 L HA 0.496 4.837 4.340 0.001 0.000 0.288 238 L C -1.201 175.631 176.870 -0.063 0.000 1.046 238 L CA 0.331 55.126 54.840 -0.075 0.000 0.805 238 L CB 1.831 43.841 42.059 -0.081 0.000 1.193 238 L HN 0.523 nan 8.230 nan 0.000 0.426 239 S N 3.914 119.573 115.700 -0.068 0.000 2.594 239 S HA 0.295 4.765 4.470 0.001 0.000 0.322 239 S C 0.975 175.509 174.600 -0.109 0.000 1.085 239 S CA -0.661 57.507 58.200 -0.055 0.000 1.116 239 S CB 1.541 64.734 63.200 -0.011 0.000 0.979 239 S HN 0.512 nan 8.310 nan 0.000 0.465 240 V N 2.930 122.702 119.914 -0.236 0.000 2.548 240 V HA 0.006 4.127 4.120 0.001 0.000 0.249 240 V C 0.362 176.229 176.094 -0.378 0.000 1.055 240 V CA 1.680 63.721 62.300 -0.431 0.000 1.065 240 V CB -0.506 30.826 31.823 -0.817 0.000 0.681 240 V HN 0.622 nan 8.190 nan 0.000 0.462 241 F N -0.786 119.170 119.950 0.010 0.000 2.780 241 F HA 0.472 5.000 4.527 0.001 0.000 0.394 241 F C 0.440 176.242 175.800 0.004 0.000 1.244 241 F CA -2.090 55.909 58.000 -0.001 0.000 1.133 241 F CB -0.281 38.715 39.000 -0.007 0.000 1.528 241 F HN -0.163 nan 8.300 nan 0.000 0.496 242 D N 0.289 120.826 120.400 0.229 0.000 2.419 242 D HA -0.034 4.606 4.640 0.001 0.000 0.236 242 D C 1.273 177.632 176.300 0.099 0.000 1.165 242 D CA 0.419 54.494 54.000 0.124 0.000 0.882 242 D CB 0.491 41.341 40.800 0.083 0.000 1.201 242 D HN 0.535 nan 8.370 nan 0.000 0.443 243 I N 1.758 122.362 120.570 0.056 0.000 2.454 243 I HA -0.188 3.982 4.170 0.001 0.000 0.254 243 I C 1.602 177.733 176.117 0.023 0.000 1.156 243 I CA 1.163 62.482 61.300 0.032 0.000 1.433 243 I CB 0.021 38.029 38.000 0.013 0.000 1.082 243 I HN 0.401 nan 8.210 nan 0.000 0.432 244 K N 0.475 120.885 120.400 0.017 0.000 2.487 244 K HA 0.015 4.336 4.320 0.001 0.000 0.192 244 K C 0.448 177.037 176.600 -0.019 0.000 1.027 244 K CA 0.234 56.514 56.287 -0.012 0.000 1.054 244 K CB 0.245 32.733 32.500 -0.020 0.000 0.824 244 K HN 0.299 nan 8.250 nan 0.000 0.510 245 E N 0.568 120.790 120.200 0.038 0.000 2.496 245 E HA 0.132 4.483 4.350 0.001 0.000 0.200 245 E C 0.032 176.708 176.600 0.126 0.000 1.016 245 E CA -0.150 56.289 56.400 0.065 0.000 0.962 245 E CB 0.836 30.611 29.700 0.126 0.000 1.071 245 E HN 0.363 nan 8.360 nan 0.000 0.457 246 G N 1.401 110.233 108.800 0.054 0.000 2.911 246 G HA2 -0.166 3.795 3.960 0.001 0.000 0.686 246 G HA3 -0.166 3.795 3.960 0.001 0.000 0.686 246 G C -0.876 174.131 174.900 0.177 0.000 1.136 246 G CA -0.954 44.228 45.100 0.136 0.000 0.764 246 G HN 0.220 nan 8.290 nan 0.000 0.626 247 N N -1.269 117.542 118.700 0.185 0.000 2.321 247 N HA 0.767 5.508 4.740 0.001 0.000 0.290 247 N C -0.082 175.472 175.510 0.074 0.000 1.212 247 N CA -0.601 52.501 53.050 0.086 0.000 0.767 247 N CB 2.732 41.247 38.487 0.048 0.000 1.494 247 N HN 1.057 nan 8.380 nan 0.000 0.479 248 V N -1.345 118.575 119.914 0.011 0.000 2.667 248 V HA 0.824 4.945 4.120 0.001 0.000 0.308 248 V C -0.492 175.584 176.094 -0.029 0.000 1.048 248 V CA -0.658 61.633 62.300 -0.015 0.000 0.928 248 V CB 1.511 33.314 31.823 -0.033 0.000 1.004 248 V HN 0.336 nan 8.190 nan 0.000 0.444 249 V N 4.587 124.475 119.914 -0.044 0.000 2.709 249 V HA 0.526 4.647 4.120 0.001 0.000 0.308 249 V C -0.446 175.596 176.094 -0.087 0.000 1.062 249 V CA -0.412 61.853 62.300 -0.057 0.000 0.901 249 V CB 2.055 33.849 31.823 -0.049 0.000 1.003 249 V HN 0.860 nan 8.190 nan 0.000 0.425 250 I N 3.799 124.317 120.570 -0.085 0.000 2.321 250 I HA 0.443 4.614 4.170 0.001 0.000 0.291 250 I C -0.023 176.024 176.117 -0.118 0.000 0.998 250 I CA -0.152 61.085 61.300 -0.105 0.000 1.227 250 I CB 1.445 39.397 38.000 -0.080 0.000 1.368 250 I HN 0.681 nan 8.210 nan 0.000 0.466 251 E N 5.566 125.673 120.200 -0.155 0.000 2.176 251 E HA 0.516 4.867 4.350 0.001 0.000 0.267 251 E C -1.346 175.158 176.600 -0.160 0.000 0.893 251 E CA -0.446 55.859 56.400 -0.157 0.000 0.761 251 E CB 1.397 30.989 29.700 -0.180 0.000 1.133 251 E HN 0.546 nan 8.360 nan 0.000 0.409 252 S N 3.660 119.229 115.700 -0.218 0.000 2.566 252 S HA 0.664 5.135 4.470 0.001 0.000 0.298 252 S C -0.735 173.555 174.600 -0.516 0.000 1.083 252 S CA -0.859 57.145 58.200 -0.327 0.000 0.978 252 S CB 1.482 64.547 63.200 -0.225 0.000 1.073 252 S HN 0.482 nan 8.310 nan 0.000 0.491 253 R N 1.209 121.212 120.500 -0.829 0.000 2.584 253 R HA 0.440 4.781 4.340 0.001 0.000 0.276 253 R C -1.434 174.490 176.300 -0.626 0.000 1.046 253 R CA -0.705 54.955 56.100 -0.733 0.000 0.906 253 R CB 2.076 31.843 30.300 -0.888 0.000 1.215 253 R HN 0.602 nan 8.270 nan 0.000 0.449 254 Q N 1.449 121.010 119.800 -0.399 0.000 2.377 254 Q HA 0.471 4.812 4.340 0.001 0.000 0.271 254 Q C -1.147 174.685 176.000 -0.281 0.000 1.077 254 Q CA -0.915 54.688 55.803 -0.332 0.000 0.820 254 Q CB 3.396 32.061 28.738 -0.122 0.000 1.347 254 Q HN 0.246 nan 8.270 nan 0.000 0.444 255 K N 2.231 122.448 120.400 -0.306 0.000 2.541 255 K HA 0.502 4.823 4.320 0.001 0.000 0.250 255 K C -2.020 174.464 176.600 -0.194 0.000 0.950 255 K CA -0.692 55.407 56.287 -0.314 0.000 0.805 255 K CB 1.279 33.644 32.500 -0.225 0.000 1.166 255 K HN 0.509 nan 8.250 nan 0.000 0.430 256 L N 5.947 127.053 121.223 -0.196 0.000 2.381 256 L HA 0.576 4.917 4.340 0.001 0.000 0.274 256 L C -1.645 175.228 176.870 0.006 0.000 0.988 256 L CA -0.550 54.285 54.840 -0.007 0.000 0.824 256 L CB 1.443 43.444 42.059 -0.097 0.000 1.263 256 L HN 0.530 nan 8.230 nan 0.000 0.410 257 I N 5.898 126.577 120.570 0.182 0.000 2.512 257 I HA 0.251 4.422 4.170 0.001 0.000 0.287 257 I C -0.650 175.605 176.117 0.231 0.000 1.069 257 I CA -0.722 60.670 61.300 0.155 0.000 1.056 257 I CB 1.736 39.781 38.000 0.075 0.000 1.229 257 I HN 0.516 nan 8.210 nan 0.000 0.429 258 L N 6.935 128.246 121.223 0.148 0.000 2.477 258 L HA 0.164 4.504 4.340 0.001 0.000 0.272 258 L C 1.155 177.975 176.870 -0.082 0.000 1.157 258 L CA 1.087 55.801 54.840 -0.210 0.000 0.889 258 L CB 0.131 42.077 42.059 -0.188 0.000 1.158 258 L HN 0.613 nan 8.230 nan 0.000 0.473 259 E N 3.336 123.472 120.200 -0.108 0.000 2.389 259 E HA 0.337 4.687 4.350 0.001 0.000 0.199 259 E C 0.345 176.924 176.600 -0.035 0.000 0.978 259 E CA 0.334 56.715 56.400 -0.031 0.000 0.912 259 E CB 0.648 30.346 29.700 -0.004 0.000 0.907 259 E HN 0.826 nan 8.360 nan 0.000 0.494 260 G N 0.820 109.577 108.800 -0.073 0.000 2.442 260 G HA2 0.421 4.382 3.960 0.001 0.000 0.296 260 G HA3 0.421 4.382 3.960 0.001 0.000 0.296 260 G C -1.643 173.206 174.900 -0.085 0.000 1.564 260 G CA -0.857 44.213 45.100 -0.050 0.000 0.828 260 G HN -0.022 nan 8.290 nan 0.000 0.571 261 I N 0.793 121.307 120.570 -0.093 0.000 2.436 261 I HA 0.474 4.644 4.170 0.001 0.000 0.289 261 I C -0.239 175.760 176.117 -0.197 0.000 1.010 261 I CA -0.585 60.588 61.300 -0.210 0.000 1.098 261 I CB 2.241 40.133 38.000 -0.180 0.000 1.266 261 I HN 0.399 nan 8.210 nan 0.000 0.434 262 Q N 3.225 122.875 119.800 -0.251 0.000 2.397 262 Q HA 0.462 4.802 4.340 0.001 0.000 0.275 262 Q C -1.030 174.844 176.000 -0.210 0.000 1.090 262 Q CA -0.764 54.930 55.803 -0.181 0.000 0.809 262 Q CB 2.865 31.518 28.738 -0.142 0.000 1.362 262 Q HN 0.559 nan 8.270 nan 0.000 0.431 263 S N 0.943 116.559 115.700 -0.140 0.000 2.548 263 S HA 0.510 4.981 4.470 0.001 0.000 0.277 263 S C -0.731 173.806 174.600 -0.106 0.000 1.315 263 S CA -0.430 57.701 58.200 -0.114 0.000 1.050 263 S CB 0.671 63.831 63.200 -0.066 0.000 0.918 263 S HN 0.557 nan 8.310 nan 0.000 0.497 264 A N 5.065 127.821 122.820 -0.106 0.000 2.318 264 A HA 0.757 5.078 4.320 0.001 0.000 0.324 264 A C -2.375 175.233 177.584 0.041 0.000 1.170 264 A CA -1.654 50.347 52.037 -0.059 0.000 0.810 264 A CB 0.182 19.063 19.000 -0.199 0.000 1.198 264 A HN 0.560 nan 8.150 nan 0.000 0.484 265 P HA 0.334 nan 4.420 nan 0.000 0.280 265 P C 0.162 177.509 177.300 0.080 0.000 1.278 265 P CA -0.046 63.088 63.100 0.056 0.000 0.787 265 P CB 0.330 32.053 31.700 0.039 0.000 1.163 266 A N 0.369 123.220 122.820 0.051 0.000 2.581 266 A HA 0.230 4.551 4.320 0.001 0.000 0.257 266 A C 1.337 178.944 177.584 0.038 0.000 1.022 266 A CA 0.529 52.590 52.037 0.040 0.000 0.812 266 A CB -1.070 17.942 19.000 0.021 0.000 0.918 266 A HN 0.608 nan 8.150 nan 0.000 0.516 267 A N 3.435 126.276 122.820 0.036 0.000 3.172 267 A HA 0.218 4.538 4.320 0.001 0.000 0.192 267 A C 1.495 179.045 177.584 -0.056 0.000 0.754 267 A CA 1.716 53.749 52.037 -0.006 0.000 1.183 267 A CB -1.081 17.900 19.000 -0.033 0.000 0.751 267 A HN 2.653 nan 8.150 nan 0.000 0.513 268 S N -1.393 114.249 115.700 -0.097 0.000 3.896 268 S HA -0.115 4.355 4.470 0.001 0.000 0.589 268 S C -0.200 174.298 174.600 -0.171 0.000 0.691 268 S CA 0.732 58.864 58.200 -0.112 0.000 1.396 268 S CB -1.878 61.281 63.200 -0.070 0.000 0.831 268 S HN 0.719 nan 8.310 nan 0.000 0.800 269 Q N 1.849 121.492 119.800 -0.263 0.000 2.315 269 Q HA 0.325 4.665 4.340 0.001 0.000 0.289 269 Q C 1.178 177.048 176.000 -0.218 0.000 1.044 269 Q CA 0.751 56.332 55.803 -0.370 0.000 0.920 269 Q CB 0.487 28.928 28.738 -0.495 0.000 1.214 269 Q HN 0.782 nan 8.270 nan 0.000 0.392 270 A N 1.804 124.522 122.820 -0.170 0.000 2.431 270 A HA 0.437 4.758 4.320 0.001 0.000 0.239 270 A C 0.426 177.967 177.584 -0.073 0.000 1.230 270 A CA 0.124 52.102 52.037 -0.098 0.000 0.928 270 A CB 0.521 19.483 19.000 -0.063 0.000 1.006 270 A HN 0.697 nan 8.150 nan 0.000 0.520 271 A N 0.031 122.799 122.820 -0.086 0.000 2.293 271 A HA 0.621 4.942 4.320 0.001 0.000 0.302 271 A C 0.749 178.300 177.584 -0.055 0.000 1.119 271 A CA 0.249 52.258 52.037 -0.045 0.000 0.823 271 A CB 0.286 19.276 19.000 -0.017 0.000 1.097 271 A HN 0.652 nan 8.150 nan 0.000 0.491 272 S N -0.193 115.502 115.700 -0.009 0.000 2.572 272 S HA 0.222 4.693 4.470 0.001 0.000 0.267 272 S C 0.425 175.012 174.600 -0.021 0.000 1.361 272 S CA 0.043 58.247 58.200 0.006 0.000 1.009 272 S CB -0.051 63.183 63.200 0.058 0.000 0.888 272 S HN 0.572 nan 8.310 nan 0.000 0.553 273 L N 1.398 122.620 121.223 -0.003 0.000 3.122 273 L HA 0.325 4.665 4.340 0.001 0.000 0.274 273 L C 0.293 177.281 176.870 0.197 0.000 1.222 273 L CA -0.183 54.642 54.840 -0.025 0.000 1.028 273 L CB 0.244 42.253 42.059 -0.083 0.000 1.386 273 L HN 0.625 nan 8.230 nan 0.000 0.578 274 Q N 1.786 121.704 119.800 0.195 0.000 2.307 274 Q HA 0.108 4.448 4.340 0.001 0.000 0.259 274 Q C -0.005 176.110 176.000 0.192 0.000 0.998 274 Q CA 0.150 56.051 55.803 0.163 0.000 0.923 274 Q CB 0.546 29.335 28.738 0.085 0.000 1.196 274 Q HN 0.064 nan 8.270 nan 0.000 0.416 275 N N 3.557 122.328 118.700 0.119 0.000 2.442 275 N HA 0.061 4.802 4.740 0.001 0.000 0.265 275 N C -0.394 175.021 175.510 -0.157 0.000 1.138 275 N CA 0.043 52.995 53.050 -0.163 0.000 0.956 275 N CB 0.594 39.014 38.487 -0.111 0.000 1.067 275 N HN 0.544 nan 8.380 nan 0.000 0.474 276 R N 2.481 122.845 120.500 -0.226 0.000 2.468 276 R HA 0.282 4.622 4.340 0.001 0.000 0.280 276 R C 0.830 177.042 176.300 -0.146 0.000 0.963 276 R CA -0.104 55.914 56.100 -0.138 0.000 1.083 276 R CB -0.481 29.756 30.300 -0.105 0.000 1.200 276 R HN 0.827 nan 8.270 nan 0.000 0.541 277 G N -0.397 108.292 108.800 -0.185 0.000 2.610 277 G HA2 -0.163 3.798 3.960 0.001 0.000 0.304 277 G HA3 -0.163 3.798 3.960 0.001 0.000 0.304 277 G C 0.117 174.939 174.900 -0.130 0.000 1.309 277 G CA -0.695 44.324 45.100 -0.134 0.000 0.906 277 G HN 0.361 nan 8.290 nan 0.000 0.521 278 G N -1.660 107.095 108.800 -0.074 0.000 2.494 278 G HA2 0.592 4.552 3.960 0.001 0.000 0.270 278 G HA3 0.592 4.552 3.960 0.001 0.000 0.270 278 G C 1.292 176.176 174.900 -0.026 0.000 1.423 278 G CA 0.415 45.491 45.100 -0.039 0.000 1.055 278 G HN 1.559 nan 8.290 nan 0.000 0.536 279 L N -0.438 120.789 121.223 0.007 0.000 2.217 279 L HA 0.287 4.628 4.340 0.001 0.000 0.211 279 L C 1.801 178.685 176.870 0.025 0.000 1.107 279 L CA 0.639 55.485 54.840 0.010 0.000 0.783 279 L CB -0.537 41.543 42.059 0.034 0.000 0.919 279 L HN 0.351 nan 8.230 nan 0.000 0.442 280 M N -0.050 119.578 119.600 0.047 0.000 2.251 280 M HA -0.063 4.417 4.480 0.001 0.000 0.343 280 M C -0.275 176.075 176.300 0.083 0.000 1.245 280 M CA 0.083 55.440 55.300 0.093 0.000 1.061 280 M CB -0.107 32.569 32.600 0.125 0.000 1.723 280 M HN 0.097 nan 8.290 nan 0.000 0.449 281 Y N 4.423 124.704 120.300 -0.031 0.000 2.805 281 Y HA -0.062 4.489 4.550 0.001 0.000 0.337 281 Y C -0.259 175.575 175.900 -0.111 0.000 1.252 281 Y CA 0.681 58.717 58.100 -0.107 0.000 1.515 281 Y CB 0.423 38.776 38.460 -0.180 0.000 1.305 281 Y HN 0.378 nan 8.280 nan 0.000 0.600 282 K N 7.498 127.471 120.400 -0.711 0.000 2.413 282 K HA 0.210 4.530 4.320 0.001 0.000 0.257 282 K C -1.409 174.815 176.600 -0.626 0.000 0.946 282 K CA -0.672 55.371 56.287 -0.407 0.000 0.823 282 K CB 1.045 33.396 32.500 -0.248 0.000 1.109 282 K HN 0.532 nan 8.250 nan 0.000 0.427 283 F N 3.630 123.494 119.950 -0.143 0.000 2.504 283 F HA 0.146 4.674 4.527 0.001 0.000 0.369 283 F C -1.366 174.396 175.800 -0.064 0.000 1.082 283 F CA -1.229 56.765 58.000 -0.009 0.000 1.216 283 F CB 0.075 39.125 39.000 0.083 0.000 1.108 283 F HN 0.262 nan 8.300 nan 0.000 0.554 284 P HA -0.048 nan 4.420 nan 0.000 0.268 284 P C -0.364 176.993 177.300 0.095 0.000 1.208 284 P CA -0.051 63.081 63.100 0.053 0.000 0.777 284 P CB 0.560 32.292 31.700 0.052 0.000 0.875 285 S N 1.822 117.555 115.700 0.055 0.000 2.563 285 S HA -0.005 4.466 4.470 0.001 0.000 0.294 285 S C 0.634 175.259 174.600 0.042 0.000 1.279 285 S CA 0.773 58.999 58.200 0.044 0.000 1.069 285 S CB -0.897 62.321 63.200 0.029 0.000 0.828 285 S HN 0.517 nan 8.310 nan 0.000 0.497 286 S N 2.092 117.808 115.700 0.027 0.000 3.445 286 S HA -0.284 4.187 4.470 0.001 0.000 0.319 286 S C 1.288 175.900 174.600 0.020 0.000 1.209 286 S CA 0.713 58.920 58.200 0.011 0.000 0.934 286 S CB -1.771 61.437 63.200 0.013 0.000 0.999 286 S HN 1.032 nan 8.310 nan 0.000 0.582 287 A N 0.447 123.301 122.820 0.057 0.000 1.933 287 A HA -0.061 4.260 4.320 0.001 0.000 0.218 287 A C 1.864 179.473 177.584 0.042 0.000 1.175 287 A CA 1.751 53.841 52.037 0.089 0.000 0.628 287 A CB -0.368 18.773 19.000 0.235 0.000 0.814 287 A HN 0.639 nan 8.150 nan 0.000 0.444 288 I N 0.459 121.015 120.570 -0.023 0.000 2.530 288 I HA -0.198 3.973 4.170 0.001 0.000 0.257 288 I C 2.324 178.420 176.117 -0.035 0.000 1.179 288 I CA 2.273 63.535 61.300 -0.064 0.000 1.440 288 I CB -0.025 37.883 38.000 -0.153 0.000 1.087 288 I HN 0.536 nan 8.210 nan 0.000 0.440 289 T N -4.172 110.368 114.554 -0.023 0.000 3.038 289 T HA 0.113 4.463 4.350 0.001 0.000 0.244 289 T C 1.867 176.557 174.700 -0.016 0.000 1.016 289 T CA 0.037 62.127 62.100 -0.017 0.000 1.098 289 T CB -0.128 68.732 68.868 -0.013 0.000 0.954 289 T HN -0.013 nan 8.240 nan 0.000 0.469 290 K N 0.881 121.273 120.400 -0.013 0.000 2.116 290 K HA 0.321 4.642 4.320 0.001 0.000 0.203 290 K C 1.026 177.607 176.600 -0.031 0.000 1.052 290 K CA 0.429 56.701 56.287 -0.025 0.000 0.952 290 K CB -0.166 32.326 32.500 -0.013 0.000 0.729 290 K HN 0.394 nan 8.250 nan 0.000 0.446 291 M N 1.397 120.995 119.600 -0.005 0.000 2.094 291 M HA 0.114 4.595 4.480 0.001 0.000 0.348 291 M C -0.534 175.764 176.300 -0.002 0.000 1.267 291 M CA -0.114 55.184 55.300 -0.002 0.000 1.125 291 M CB 0.856 33.475 32.600 0.033 0.000 1.527 291 M HN -0.023 nan 8.290 nan 0.000 0.447 292 S N 2.295 117.985 115.700 -0.018 0.000 2.584 292 S HA 0.159 4.630 4.470 0.001 0.000 0.273 292 S C 0.853 175.433 174.600 -0.032 0.000 1.311 292 S CA -0.320 57.875 58.200 -0.009 0.000 1.034 292 S CB 1.465 64.686 63.200 0.036 0.000 0.939 292 S HN 0.829 nan 8.310 nan 0.000 0.513 293 S N 2.969 118.633 115.700 -0.061 0.000 2.524 293 S HA 0.237 4.708 4.470 0.001 0.000 0.216 293 S C 1.239 175.693 174.600 -0.244 0.000 0.987 293 S CA 0.058 58.212 58.200 -0.077 0.000 0.909 293 S CB -0.369 62.814 63.200 -0.028 0.000 0.781 293 S HN 0.730 nan 8.310 nan 0.000 0.521 294 L N -0.368 120.613 121.223 -0.404 0.000 2.537 294 L HA 0.456 4.797 4.340 0.001 0.000 0.224 294 L C -0.719 175.598 176.870 -0.923 0.000 1.065 294 L CA 0.144 54.495 54.840 -0.815 0.000 0.860 294 L CB 0.323 41.641 42.059 -1.235 0.000 1.086 294 L HN 0.204 nan 8.230 nan 0.000 0.482 295 F N -0.624 119.270 119.950 -0.093 0.000 2.518 295 F HA 0.386 4.914 4.527 0.001 0.000 0.323 295 F C -0.150 175.579 175.800 -0.119 0.000 1.129 295 F CA -1.157 56.794 58.000 -0.082 0.000 0.920 295 F CB 1.287 40.228 39.000 -0.099 0.000 1.160 295 F HN -0.465 nan 8.300 nan 0.000 0.440 296 V N 2.568 122.537 119.914 0.091 0.000 2.427 296 V HA 0.192 4.313 4.120 0.001 0.000 0.268 296 V C 0.778 176.854 176.094 -0.030 0.000 1.046 296 V CA 0.346 62.658 62.300 0.020 0.000 0.970 296 V CB 0.772 32.617 31.823 0.037 0.000 1.001 296 V HN 1.021 nan 8.190 nan 0.000 0.476 297 T N 1.226 115.687 114.554 -0.155 0.000 2.971 297 T HA 0.196 4.547 4.350 0.001 0.000 0.252 297 T C 0.691 175.355 174.700 -0.060 0.000 1.022 297 T CA -0.333 61.602 62.100 -0.274 0.000 0.980 297 T CB 0.143 68.672 68.868 -0.564 0.000 1.044 297 T HN 0.352 nan 8.240 nan 0.000 0.501 298 K N 1.486 121.861 120.400 -0.041 0.000 2.401 298 K HA 0.453 4.774 4.320 0.001 0.000 0.278 298 K C 1.363 177.974 176.600 0.017 0.000 1.018 298 K CA 1.277 57.560 56.287 -0.006 0.000 0.981 298 K CB -0.082 32.413 32.500 -0.008 0.000 0.933 298 K HN 0.380 nan 8.250 nan 0.000 0.477 299 G N 2.320 111.138 108.800 0.030 0.000 2.179 299 G HA2 -0.288 3.672 3.960 0.001 0.000 0.260 299 G HA3 -0.288 3.672 3.960 0.001 0.000 0.260 299 G C -0.188 174.739 174.900 0.045 0.000 0.977 299 G CA 0.377 45.494 45.100 0.029 0.000 0.641 299 G HN 0.516 nan 8.290 nan 0.000 0.533 300 K N 0.505 120.954 120.400 0.082 0.000 2.139 300 K HA 0.384 4.705 4.320 0.001 0.000 0.243 300 K C -0.007 176.646 176.600 0.088 0.000 0.983 300 K CA -0.602 55.749 56.287 0.106 0.000 0.890 300 K CB 0.632 33.268 32.500 0.227 0.000 1.090 300 K HN 0.283 nan 8.250 nan 0.000 0.445 301 N N 3.369 122.096 118.700 0.046 0.000 2.415 301 N HA 0.021 4.762 4.740 0.001 0.000 0.250 301 N C 0.712 176.225 175.510 0.006 0.000 1.127 301 N CA 0.070 53.127 53.050 0.011 0.000 0.945 301 N CB 0.447 38.921 38.487 -0.022 0.000 1.196 301 N HN 0.491 nan 8.380 nan 0.000 0.499 302 L N 0.980 122.233 121.223 0.049 0.000 1.973 302 L HA -0.143 4.198 4.340 0.001 0.000 0.208 302 L C 2.391 179.244 176.870 -0.029 0.000 1.073 302 L CA 1.374 56.271 54.840 0.096 0.000 0.746 302 L CB -0.478 41.658 42.059 0.129 0.000 0.891 302 L HN 0.534 nan 8.230 nan 0.000 0.433 303 E N -0.017 120.144 120.200 -0.065 0.000 2.187 303 E HA -0.226 4.125 4.350 0.001 0.000 0.199 303 E C 2.104 178.560 176.600 -0.239 0.000 1.004 303 E CA 1.671 57.975 56.400 -0.160 0.000 0.813 303 E CB 0.139 29.735 29.700 -0.174 0.000 0.736 303 E HN 0.364 nan 8.360 nan 0.000 0.468 304 S N 0.023 115.620 115.700 -0.171 0.000 2.406 304 S HA -0.034 4.437 4.470 0.001 0.000 0.224 304 S C 1.556 176.067 174.600 -0.149 0.000 1.030 304 S CA 0.348 58.467 58.200 -0.136 0.000 0.958 304 S CB 0.003 63.146 63.200 -0.095 0.000 0.811 304 S HN 0.257 nan 8.310 nan 0.000 0.489 305 E N 1.331 121.372 120.200 -0.266 0.000 2.106 305 E HA -0.025 4.326 4.350 0.001 0.000 0.192 305 E C 1.936 178.285 176.600 -0.418 0.000 0.984 305 E CA 0.702 56.808 56.400 -0.489 0.000 0.806 305 E CB -0.237 28.827 29.700 -1.059 0.000 0.750 305 E HN 0.500 nan 8.360 nan 0.000 0.458 306 I N 0.530 120.938 120.570 -0.269 0.000 2.252 306 I HA -0.245 3.926 4.170 0.001 0.000 0.245 306 I C 2.373 178.508 176.117 0.031 0.000 1.102 306 I CA 0.928 62.158 61.300 -0.117 0.000 1.385 306 I CB -0.263 37.725 38.000 -0.021 0.000 1.064 306 I HN 0.078 nan 8.210 nan 0.000 0.414 307 H N 0.675 119.691 119.070 -0.090 0.000 2.319 307 H HA -0.141 4.416 4.556 0.001 0.000 0.299 307 H C 2.402 177.705 175.328 -0.042 0.000 1.092 307 H CA 1.948 57.975 56.048 -0.035 0.000 1.302 307 H CB -0.681 29.063 29.762 -0.030 0.000 1.373 307 H HN 0.208 nan 8.280 nan 0.000 0.497 308 T N -0.282 114.290 114.554 0.031 0.000 2.674 308 T HA -0.139 4.211 4.350 0.001 0.000 0.265 308 T C 2.244 176.902 174.700 -0.071 0.000 1.039 308 T CA 1.489 63.568 62.100 -0.036 0.000 1.150 308 T CB -0.705 68.111 68.868 -0.085 0.000 0.864 308 T HN 0.204 nan 8.240 nan 0.000 0.427 309 V N 1.262 121.091 119.914 -0.141 0.000 2.548 309 V HA -0.013 4.107 4.120 0.001 0.000 0.249 309 V C 2.231 178.233 176.094 -0.153 0.000 1.055 309 V CA 1.163 63.361 62.300 -0.170 0.000 1.065 309 V CB -0.432 31.243 31.823 -0.247 0.000 0.681 309 V HN 0.360 nan 8.190 nan 0.000 0.462 310 L N 0.780 121.936 121.223 -0.112 0.000 2.083 310 L HA -0.146 4.195 4.340 0.001 0.000 0.209 310 L C 2.420 179.157 176.870 -0.222 0.000 1.083 310 L CA 2.644 57.406 54.840 -0.129 0.000 0.752 310 L CB -0.900 41.175 42.059 0.027 0.000 0.899 310 L HN 0.396 nan 8.230 nan 0.000 0.433 311 K N -1.868 118.480 120.400 -0.086 0.000 2.057 311 K HA -0.238 4.082 4.320 0.001 0.000 0.206 311 K C 2.400 178.891 176.600 -0.181 0.000 1.050 311 K CA 1.234 57.480 56.287 -0.069 0.000 0.935 311 K CB -0.369 32.150 32.500 0.031 0.000 0.715 311 K HN 0.475 nan 8.250 nan 0.000 0.439 312 H N 0.813 119.741 119.070 -0.236 0.000 2.319 312 H HA -0.126 4.431 4.556 0.001 0.000 0.299 312 H C 2.046 177.141 175.328 -0.387 0.000 1.092 312 H CA 1.988 57.874 56.048 -0.270 0.000 1.302 312 H CB -0.038 29.571 29.762 -0.255 0.000 1.373 312 H HN 0.186 nan 8.280 nan 0.000 0.497 313 L N -0.304 120.681 121.223 -0.397 0.000 2.017 313 L HA -0.171 4.170 4.340 0.001 0.000 0.208 313 L C 2.962 179.306 176.870 -0.877 0.000 1.073 313 L CA 0.912 55.284 54.840 -0.780 0.000 0.745 313 L CB -0.393 40.863 42.059 -1.337 0.000 0.894 313 L HN 0.068 nan 8.230 nan 0.000 0.432 314 V N -0.450 118.937 119.914 -0.878 0.000 2.255 314 V HA -0.256 3.865 4.120 0.001 0.000 0.247 314 V C 2.532 178.437 176.094 -0.315 0.000 1.051 314 V CA 1.719 63.648 62.300 -0.618 0.000 1.018 314 V CB -0.456 30.791 31.823 -0.960 0.000 0.641 314 V HN 0.432 nan 8.190 nan 0.000 0.445 315 E N 0.125 120.135 120.200 -0.317 0.000 2.152 315 E HA -0.089 4.261 4.350 0.001 0.000 0.192 315 E C 1.854 178.342 176.600 -0.187 0.000 0.983 315 E CA 0.795 57.077 56.400 -0.196 0.000 0.818 315 E CB -0.402 29.194 29.700 -0.174 0.000 0.758 315 E HN 0.631 nan 8.360 nan 0.000 0.467 316 N N 0.844 119.384 118.700 -0.267 0.000 2.353 316 N HA -0.002 4.739 4.740 0.001 0.000 0.185 316 N C -0.318 175.170 175.510 -0.037 0.000 1.098 316 N CA 0.138 53.073 53.050 -0.191 0.000 0.872 316 N CB 0.198 38.455 38.487 -0.383 0.000 0.970 316 N HN 0.068 nan 8.380 nan 0.000 0.467 317 N N 0.715 119.407 118.700 -0.013 0.000 2.918 317 N HA 0.184 4.925 4.740 0.001 0.000 0.270 317 N C 0.438 176.009 175.510 0.101 0.000 1.536 317 N CA -0.197 52.908 53.050 0.092 0.000 0.877 317 N CB 1.116 39.719 38.487 0.194 0.000 1.190 317 N HN -0.038 nan 8.380 nan 0.000 0.492 318 Q N 0.028 119.862 119.800 0.057 0.000 2.462 318 Q HA 0.283 4.624 4.340 0.001 0.000 0.224 318 Q C 1.177 177.205 176.000 0.047 0.000 0.911 318 Q CA 0.692 56.526 55.803 0.051 0.000 0.925 318 Q CB 0.720 29.474 28.738 0.026 0.000 1.063 318 Q HN 0.474 nan 8.270 nan 0.000 0.572 319 L N 0.318 121.566 121.223 0.040 0.000 2.515 319 L HA 0.172 4.513 4.340 0.001 0.000 0.223 319 L C 0.629 177.525 176.870 0.043 0.000 1.079 319 L CA 0.188 55.049 54.840 0.036 0.000 0.857 319 L CB 0.561 42.636 42.059 0.026 0.000 1.050 319 L HN 0.073 nan 8.230 nan 0.000 0.476 320 S N -2.274 113.458 115.700 0.053 0.000 2.627 320 S HA 0.361 4.831 4.470 0.001 0.000 0.268 320 S C -0.820 173.828 174.600 0.079 0.000 1.130 320 S CA -0.934 57.303 58.200 0.062 0.000 0.819 320 S CB 1.538 64.769 63.200 0.051 0.000 1.100 320 S HN -0.247 nan 8.310 nan 0.000 0.465 321 V N 3.241 123.208 119.914 0.088 0.000 2.555 321 V HA 0.269 4.389 4.120 0.001 0.000 0.286 321 V C 0.837 177.003 176.094 0.119 0.000 1.044 321 V CA -0.241 62.128 62.300 0.116 0.000 1.026 321 V CB 0.307 32.198 31.823 0.112 0.000 0.981 321 V HN 0.938 nan 8.190 nan 0.000 0.480 322 H N 3.844 122.945 119.070 0.052 0.000 2.732 322 H HA 0.096 4.653 4.556 0.001 0.000 0.351 322 H C 1.159 176.530 175.328 0.072 0.000 1.090 322 H CA 0.368 56.449 56.048 0.054 0.000 1.431 322 H CB 0.933 30.727 29.762 0.052 0.000 1.447 322 H HN 0.842 nan 8.280 nan 0.000 0.582 323 E N 2.325 122.424 120.200 -0.168 0.000 2.086 323 E HA -0.206 4.145 4.350 0.001 0.000 0.200 323 E C 0.344 177.122 176.600 0.297 0.000 1.012 323 E CA 1.713 58.144 56.400 0.052 0.000 0.812 323 E CB 0.251 29.911 29.700 -0.068 0.000 0.743 323 E HN 0.653 nan 8.360 nan 0.000 0.453 324 D N -0.936 119.766 120.400 0.503 0.000 2.325 324 D HA 0.083 4.723 4.640 0.001 0.000 0.225 324 D C 1.152 177.519 176.300 0.112 0.000 1.096 324 D CA 0.319 54.514 54.000 0.326 0.000 0.844 324 D CB 0.412 41.380 40.800 0.281 0.000 0.925 324 D HN 0.155 nan 8.370 nan 0.000 0.513 325 A N 1.880 124.777 122.820 0.128 0.000 1.902 325 A HA -0.096 4.224 4.320 0.001 0.000 0.217 325 A C -0.214 177.351 177.584 -0.031 0.000 1.181 325 A CA 1.074 53.128 52.037 0.029 0.000 0.623 325 A CB -1.193 17.860 19.000 0.088 0.000 0.818 325 A HN 0.167 nan 8.150 nan 0.000 0.443 326 P HA -0.070 nan 4.420 nan 0.000 0.218 326 P C 1.549 178.814 177.300 -0.059 0.000 1.149 326 P CA 1.726 64.721 63.100 -0.175 0.000 0.817 326 P CB -0.043 31.400 31.700 -0.428 0.000 0.785 327 A N -0.293 122.445 122.820 -0.136 0.000 1.968 327 A HA -0.120 4.200 4.320 0.001 0.000 0.217 327 A C 2.070 179.733 177.584 0.132 0.000 1.169 327 A CA 1.272 53.404 52.037 0.159 0.000 0.638 327 A CB -0.820 18.375 19.000 0.325 0.000 0.812 327 A HN 0.108 nan 8.150 nan 0.000 0.446 328 K N -1.604 118.807 120.400 0.019 0.000 2.155 328 K HA -0.017 4.304 4.320 0.001 0.000 0.203 328 K C 1.648 178.230 176.600 -0.029 0.000 1.052 328 K CA 1.108 57.344 56.287 -0.083 0.000 0.948 328 K CB -0.234 32.159 32.500 -0.177 0.000 0.728 328 K HN 0.480 nan 8.250 nan 0.000 0.448 329 F N 1.938 121.834 119.950 -0.090 0.000 2.146 329 F HA -0.124 4.404 4.527 0.001 0.000 0.298 329 F C 1.698 177.495 175.800 -0.004 0.000 1.096 329 F CA 1.161 59.152 58.000 -0.014 0.000 1.275 329 F CB -0.169 38.878 39.000 0.078 0.000 1.008 329 F HN -0.110 nan 8.300 nan 0.000 0.480 330 L N -0.101 121.170 121.223 0.078 0.000 2.083 330 L HA -0.227 4.113 4.340 0.001 0.000 0.209 330 L C 2.708 179.492 176.870 -0.143 0.000 1.083 330 L CA 1.605 56.474 54.840 0.049 0.000 0.752 330 L CB -0.620 41.613 42.059 0.291 0.000 0.899 330 L HN 0.131 nan 8.230 nan 0.000 0.433 331 R N 0.271 120.517 120.500 -0.423 0.000 2.075 331 R HA -0.199 4.142 4.340 0.001 0.000 0.232 331 R C 2.344 178.430 176.300 -0.356 0.000 1.126 331 R CA 1.279 56.810 56.100 -0.947 0.000 0.963 331 R CB -0.219 29.513 30.300 -0.947 0.000 0.858 331 R HN 0.192 nan 8.270 nan 0.000 0.435 332 L N 1.060 122.127 121.223 -0.260 0.000 2.012 332 L HA -0.173 4.168 4.340 0.001 0.000 0.210 332 L C 2.316 179.089 176.870 -0.162 0.000 1.073 332 L CA 2.664 57.404 54.840 -0.166 0.000 0.748 332 L CB -0.902 41.060 42.059 -0.163 0.000 0.891 332 L HN 0.429 nan 8.230 nan 0.000 0.431 333 T N -3.086 111.289 114.554 -0.299 0.000 2.867 333 T HA -0.047 4.304 4.350 0.001 0.000 0.268 333 T C 1.914 176.536 174.700 -0.129 0.000 1.057 333 T CA 0.928 62.881 62.100 -0.246 0.000 1.136 333 T CB -0.887 67.772 68.868 -0.349 0.000 0.874 333 T HN 0.386 nan 8.240 nan 0.000 0.466 334 A N 0.867 123.612 122.820 -0.125 0.000 1.902 334 A HA 0.131 4.451 4.320 0.001 0.000 0.217 334 A C 2.008 179.463 177.584 -0.216 0.000 1.181 334 A CA 1.184 53.145 52.037 -0.126 0.000 0.623 334 A CB -1.110 17.843 19.000 -0.077 0.000 0.818 334 A HN 0.507 nan 8.150 nan 0.000 0.443 335 F N -0.136 119.728 119.950 -0.144 0.000 2.146 335 F HA -0.052 4.476 4.527 0.001 0.000 0.298 335 F C 2.108 177.856 175.800 -0.087 0.000 1.096 335 F CA 1.217 59.152 58.000 -0.109 0.000 1.275 335 F CB -0.340 38.581 39.000 -0.133 0.000 1.008 335 F HN 0.087 nan 8.300 nan 0.000 0.480 336 L N -0.508 120.748 121.223 0.055 0.000 2.083 336 L HA -0.196 4.145 4.340 0.001 0.000 0.209 336 L C 2.372 179.232 176.870 -0.018 0.000 1.083 336 L CA 1.192 56.033 54.840 0.001 0.000 0.752 336 L CB -0.537 41.498 42.059 -0.040 0.000 0.899 336 L HN 0.017 nan 8.230 nan 0.000 0.433 337 R N -0.086 120.392 120.500 -0.035 0.000 2.241 337 R HA -0.099 4.242 4.340 0.001 0.000 0.224 337 R C 1.361 177.644 176.300 -0.028 0.000 1.101 337 R CA 0.771 56.852 56.100 -0.032 0.000 0.995 337 R CB -0.186 30.089 30.300 -0.042 0.000 0.870 337 R HN 0.423 nan 8.270 nan 0.000 0.463 338 N N 0.216 118.896 118.700 -0.033 0.000 2.280 338 N HA 0.011 4.751 4.740 0.001 0.000 0.192 338 N C -0.213 175.299 175.510 0.004 0.000 1.109 338 N CA 0.289 53.324 53.050 -0.024 0.000 0.855 338 N CB 1.072 39.521 38.487 -0.064 0.000 0.974 338 N HN 0.012 nan 8.380 nan 0.000 0.482 339 V N -1.085 118.833 119.914 0.007 0.000 2.815 339 V HA 0.506 4.627 4.120 0.001 0.000 0.314 339 V C -0.227 175.869 176.094 0.003 0.000 1.064 339 V CA -1.138 61.166 62.300 0.007 0.000 0.952 339 V CB 1.755 33.581 31.823 0.004 0.000 1.020 339 V HN -0.043 nan 8.190 nan 0.000 0.439 340 D N 2.928 123.332 120.400 0.007 0.000 2.478 340 D HA 0.575 5.216 4.640 0.001 0.000 0.269 340 D C 1.159 177.463 176.300 0.006 0.000 1.232 340 D CA 0.013 54.022 54.000 0.015 0.000 1.059 340 D CB 1.042 41.856 40.800 0.023 0.000 1.104 340 D HN 0.744 nan 8.370 nan 0.000 0.566 341 A N -0.579 122.253 122.820 0.020 0.000 2.015 341 A HA 0.110 4.430 4.320 0.001 0.000 0.219 341 A C 2.073 179.687 177.584 0.049 0.000 1.163 341 A CA 1.561 53.620 52.037 0.037 0.000 0.646 341 A CB -1.468 17.551 19.000 0.031 0.000 0.806 341 A HN 0.639 nan 8.150 nan 0.000 0.448 342 G N -0.260 108.557 108.800 0.029 0.000 2.421 342 G HA2 -0.145 3.816 3.960 0.001 0.000 0.216 342 G HA3 -0.145 3.816 3.960 0.001 0.000 0.216 342 G C 1.479 176.394 174.900 0.025 0.000 1.171 342 G CA 1.317 46.434 45.100 0.028 0.000 0.775 342 G HN 0.318 nan 8.290 nan 0.000 0.543 343 V N 0.674 120.591 119.914 0.005 0.000 2.427 343 V HA -0.103 4.018 4.120 0.001 0.000 0.248 343 V C 2.674 178.758 176.094 -0.016 0.000 1.051 343 V CA 1.333 63.628 62.300 -0.007 0.000 1.048 343 V CB -0.458 31.354 31.823 -0.018 0.000 0.666 343 V HN 0.298 nan 8.190 nan 0.000 0.456 344 L N 0.279 121.462 121.223 -0.066 0.000 2.017 344 L HA -0.197 4.144 4.340 0.001 0.000 0.208 344 L C 2.518 179.345 176.870 -0.072 0.000 1.073 344 L CA 1.911 56.621 54.840 -0.217 0.000 0.745 344 L CB -1.037 40.722 42.059 -0.499 0.000 0.894 344 L HN 0.373 nan 8.230 nan 0.000 0.432 345 Q N -1.227 118.644 119.800 0.117 0.000 2.135 345 Q HA -0.171 4.169 4.340 0.001 0.000 0.204 345 Q C 2.096 178.248 176.000 0.252 0.000 0.981 345 Q CA 1.850 57.829 55.803 0.293 0.000 0.856 345 Q CB -0.194 28.676 28.738 0.220 0.000 0.902 345 Q HN 0.544 nan 8.270 nan 0.000 0.425 346 S N 0.664 116.450 115.700 0.144 0.000 2.406 346 S HA -0.042 4.429 4.470 0.001 0.000 0.228 346 S C 1.930 176.653 174.600 0.205 0.000 1.020 346 S CA 0.669 58.952 58.200 0.139 0.000 0.965 346 S CB -0.051 63.186 63.200 0.061 0.000 0.798 346 S HN 0.274 nan 8.310 nan 0.000 0.488 347 I N 0.513 121.195 120.570 0.187 0.000 2.233 347 I HA -0.143 4.028 4.170 0.001 0.000 0.243 347 I C 2.355 178.643 176.117 0.285 0.000 1.093 347 I CA 0.986 62.431 61.300 0.241 0.000 1.380 347 I CB -0.266 37.847 38.000 0.188 0.000 1.067 347 I HN 0.482 nan 8.210 nan 0.000 0.413 348 W N 1.888 123.257 121.300 0.117 0.000 2.338 348 W HA -0.337 4.323 4.660 0.001 0.000 0.304 348 W C 2.634 179.203 176.519 0.083 0.000 1.212 348 W CA 2.246 59.690 57.345 0.166 0.000 1.264 348 W CB -0.446 29.201 29.460 0.312 0.000 1.142 348 W HN 0.311 nan 8.180 nan 0.000 0.512 349 H N 1.404 120.484 119.070 0.017 0.000 2.353 349 H HA -0.257 4.300 4.556 0.001 0.000 0.298 349 H C 2.067 177.348 175.328 -0.078 0.000 1.103 349 H CA 3.091 59.020 56.048 -0.198 0.000 1.293 349 H CB -0.461 29.284 29.762 -0.029 0.000 1.372 349 H HN -0.017 nan 8.280 nan 0.000 0.501 350 K N 0.149 120.493 120.400 -0.092 0.000 2.296 350 K HA 0.073 4.394 4.320 0.001 0.000 0.200 350 K C 1.103 177.618 176.600 -0.142 0.000 1.048 350 K CA 1.217 57.417 56.287 -0.145 0.000 0.966 350 K CB 0.103 32.604 32.500 0.003 0.000 0.754 350 K HN 0.518 nan 8.250 nan 0.000 0.466 351 L N 0.346 121.517 121.223 -0.086 0.000 3.086 351 L HA 0.196 4.536 4.340 0.001 0.000 0.274 351 L C 1.166 177.942 176.870 -0.157 0.000 1.184 351 L CA -0.219 54.540 54.840 -0.134 0.000 1.002 351 L CB 0.192 42.199 42.059 -0.087 0.000 1.383 351 L HN 0.203 nan 8.230 nan 0.000 0.582 352 H N -0.243 118.494 119.070 -0.555 0.000 2.521 352 H HA -0.042 4.515 4.556 0.001 0.000 0.286 352 H C 1.102 176.166 175.328 -0.439 0.000 1.034 352 H CA 0.799 56.340 56.048 -0.845 0.000 1.278 352 H CB -0.112 28.603 29.762 -1.745 0.000 1.386 352 H HN 0.462 nan 8.280 nan 0.000 0.567 353 Q N 0.540 119.945 119.800 -0.658 0.000 2.360 353 Q HA 0.076 4.417 4.340 0.001 0.000 0.202 353 Q C -0.113 175.753 176.000 -0.224 0.000 0.915 353 Q CA 0.016 55.541 55.803 -0.463 0.000 0.943 353 Q CB 0.654 29.125 28.738 -0.445 0.000 1.064 353 Q HN 0.479 nan 8.270 nan 0.000 0.511 354 Q N 1.130 120.837 119.800 -0.154 0.000 2.331 354 Q HA 0.140 4.481 4.340 0.001 0.000 0.257 354 Q C 0.437 176.479 176.000 0.070 0.000 0.957 354 Q CA -0.021 55.767 55.803 -0.024 0.000 0.923 354 Q CB 1.720 30.443 28.738 -0.024 0.000 1.212 354 Q HN 0.105 nan 8.270 nan 0.000 0.443 355 K N 2.698 123.131 120.400 0.055 0.000 2.089 355 K HA -0.235 4.086 4.320 0.001 0.000 0.210 355 K C 0.305 176.977 176.600 0.119 0.000 1.048 355 K CA 1.850 58.176 56.287 0.065 0.000 0.926 355 K CB 0.422 32.949 32.500 0.044 0.000 0.714 355 K HN 0.448 nan 8.250 nan 0.000 0.448 356 D N -0.819 119.683 120.400 0.169 0.000 2.162 356 D HA -0.082 4.559 4.640 0.001 0.000 0.205 356 D C 1.846 178.294 176.300 0.246 0.000 0.964 356 D CA 0.949 55.059 54.000 0.183 0.000 0.847 356 D CB -0.333 40.551 40.800 0.140 0.000 0.988 356 D HN 0.239 nan 8.370 nan 0.000 0.480 357 Y N 1.417 121.819 120.300 0.170 0.000 2.224 357 Y HA -0.108 4.443 4.550 0.001 0.000 0.289 357 Y C 2.556 178.594 175.900 0.231 0.000 1.146 357 Y CA 0.996 59.207 58.100 0.186 0.000 1.182 357 Y CB -0.309 38.188 38.460 0.062 0.000 0.983 357 Y HN -0.117 nan 8.280 nan 0.000 0.524 358 R N 0.634 121.321 120.500 0.312 0.000 2.080 358 R HA -0.217 4.124 4.340 0.001 0.000 0.236 358 R C 2.474 178.974 176.300 0.332 0.000 1.137 358 R CA 1.859 58.132 56.100 0.289 0.000 0.943 358 R CB -0.303 30.082 30.300 0.142 0.000 0.846 358 R HN 0.255 nan 8.270 nan 0.000 0.431 359 R N -0.602 120.022 120.500 0.207 0.000 2.096 359 R HA -0.177 4.164 4.340 0.001 0.000 0.235 359 R C 1.944 178.272 176.300 0.046 0.000 1.127 359 R CA 2.005 58.157 56.100 0.088 0.000 0.968 359 R CB -0.339 29.936 30.300 -0.041 0.000 0.861 359 R HN 0.351 nan 8.270 nan 0.000 0.440 360 W N 0.496 121.872 121.300 0.127 0.000 2.388 360 W HA -0.015 4.645 4.660 0.001 0.000 0.294 360 W C 1.908 178.553 176.519 0.210 0.000 1.212 360 W CA 0.740 58.163 57.345 0.130 0.000 1.271 360 W CB -0.007 29.481 29.460 0.045 0.000 1.126 360 W HN 0.060 nan 8.180 nan 0.000 0.535 361 I N -0.300 120.536 120.570 0.444 0.000 2.252 361 I HA -0.300 3.871 4.170 0.001 0.000 0.245 361 I C 2.076 178.381 176.117 0.314 0.000 1.102 361 I CA 1.197 62.724 61.300 0.378 0.000 1.385 361 I CB -0.794 37.478 38.000 0.453 0.000 1.064 361 I HN -0.062 nan 8.210 nan 0.000 0.414 362 L N 0.281 121.697 121.223 0.322 0.000 2.141 362 L HA -0.203 4.138 4.340 0.001 0.000 0.209 362 L C 2.074 179.064 176.870 0.200 0.000 1.094 362 L CA 1.054 56.037 54.840 0.238 0.000 0.763 362 L CB -0.668 41.519 42.059 0.214 0.000 0.908 362 L HN 0.225 nan 8.230 nan 0.000 0.437 363 D N 0.453 120.970 120.400 0.195 0.000 2.117 363 D HA -0.154 4.487 4.640 0.001 0.000 0.197 363 D C 2.233 178.775 176.300 0.404 0.000 0.987 363 D CA 1.502 55.634 54.000 0.220 0.000 0.829 363 D CB 0.002 40.857 40.800 0.091 0.000 0.961 363 D HN 0.298 nan 8.370 nan 0.000 0.460 364 A N 0.307 123.379 122.820 0.420 0.000 2.067 364 A HA -0.073 4.247 4.320 0.001 0.000 0.219 364 A C 2.437 180.102 177.584 0.135 0.000 1.158 364 A CA 0.668 52.872 52.037 0.277 0.000 0.661 364 A CB -0.447 18.666 19.000 0.188 0.000 0.801 364 A HN 0.125 nan 8.150 nan 0.000 0.452 365 V N 0.752 120.757 119.914 0.151 0.000 2.261 365 V HA -0.161 3.960 4.120 0.001 0.000 0.246 365 V C -0.148 176.017 176.094 0.118 0.000 1.047 365 V CA 2.581 64.950 62.300 0.115 0.000 1.015 365 V CB -1.335 30.589 31.823 0.169 0.000 0.642 365 V HN 0.400 nan 8.190 nan 0.000 0.446 366 P HA -0.108 nan 4.420 nan 0.000 0.217 366 P C 1.567 178.946 177.300 0.132 0.000 1.150 366 P CA 1.890 65.073 63.100 0.138 0.000 0.832 366 P CB -0.151 31.644 31.700 0.158 0.000 0.787 367 A N 0.211 123.120 122.820 0.150 0.000 1.969 367 A HA -0.174 4.147 4.320 0.001 0.000 0.218 367 A C 2.099 179.704 177.584 0.034 0.000 1.169 367 A CA 1.830 53.934 52.037 0.112 0.000 0.635 367 A CB -1.430 17.623 19.000 0.088 0.000 0.810 367 A HN 0.160 nan 8.150 nan 0.000 0.445 368 M N -1.834 117.776 119.600 0.018 0.000 2.106 368 M HA 0.012 4.493 4.480 0.001 0.000 0.259 368 M C 1.622 177.934 176.300 0.021 0.000 1.068 368 M CA 2.001 57.301 55.300 -0.000 0.000 1.100 368 M CB -1.086 31.512 32.600 -0.004 0.000 1.351 368 M HN 1.089 nan 8.290 nan 0.000 0.404 369 A N 0.424 123.273 122.820 0.047 0.000 3.172 369 A HA -0.167 4.154 4.320 0.001 0.000 0.263 369 A C 0.786 178.399 177.584 0.048 0.000 1.215 369 A CA 1.463 53.530 52.037 0.051 0.000 1.065 369 A CB -2.706 16.316 19.000 0.037 0.000 1.148 369 A HN 0.803 nan 8.150 nan 0.000 0.904 370 T N -2.458 112.127 114.554 0.052 0.000 2.936 370 T HA 0.649 4.999 4.350 0.001 0.000 0.282 370 T C 1.305 176.065 174.700 0.101 0.000 1.003 370 T CA 0.470 62.606 62.100 0.059 0.000 1.005 370 T CB 1.571 70.466 68.868 0.046 0.000 1.097 370 T HN 1.491 nan 8.240 nan 0.000 0.532 371 S N -0.216 115.558 115.700 0.124 0.000 2.453 371 S HA -0.071 4.399 4.470 0.001 0.000 0.231 371 S C 1.496 176.274 174.600 0.297 0.000 1.005 371 S CA 0.228 58.564 58.200 0.227 0.000 0.949 371 S CB -0.517 62.788 63.200 0.174 0.000 0.774 371 S HN 0.694 nan 8.310 nan 0.000 0.510 372 E N 2.016 122.323 120.200 0.179 0.000 2.204 372 E HA 0.011 4.361 4.350 0.001 0.000 0.195 372 E C 2.276 178.932 176.600 0.093 0.000 0.990 372 E CA 1.156 57.623 56.400 0.113 0.000 0.821 372 E CB -0.646 29.096 29.700 0.070 0.000 0.750 372 E HN 0.716 nan 8.360 nan 0.000 0.477 373 A N 0.962 123.845 122.820 0.104 0.000 1.897 373 A HA -0.113 4.208 4.320 0.001 0.000 0.215 373 A C 2.198 179.877 177.584 0.159 0.000 1.181 373 A CA 0.980 53.090 52.037 0.123 0.000 0.620 373 A CB -0.428 18.630 19.000 0.097 0.000 0.821 373 A HN 0.243 nan 8.150 nan 0.000 0.443 374 L N -0.789 120.516 121.223 0.137 0.000 2.109 374 L HA -0.020 4.320 4.340 0.001 0.000 0.207 374 L C 2.168 179.037 176.870 -0.002 0.000 1.086 374 L CA 1.724 56.636 54.840 0.121 0.000 0.760 374 L CB -0.638 41.549 42.059 0.213 0.000 0.910 374 L HN 0.337 nan 8.230 nan 0.000 0.437 375 L N -0.986 120.155 121.223 -0.136 0.000 2.017 375 L HA -0.197 4.143 4.340 0.001 0.000 0.208 375 L C 2.388 179.143 176.870 -0.193 0.000 1.073 375 L CA 2.007 56.585 54.840 -0.437 0.000 0.745 375 L CB -1.022 40.658 42.059 -0.631 0.000 0.894 375 L HN 0.393 nan 8.230 nan 0.000 0.432 376 F N -0.288 119.546 119.950 -0.194 0.000 2.087 376 F HA -0.309 4.219 4.527 0.001 0.000 0.299 376 F C 2.163 177.833 175.800 -0.218 0.000 1.100 376 F CA 2.188 60.078 58.000 -0.183 0.000 1.226 376 F CB -0.721 38.189 39.000 -0.150 0.000 0.983 376 F HN 0.204 nan 8.300 nan 0.000 0.479 377 L N 1.178 122.223 121.223 -0.296 0.000 1.989 377 L HA -0.219 4.122 4.340 0.001 0.000 0.211 377 L C 2.546 179.196 176.870 -0.367 0.000 1.071 377 L CA 2.204 56.803 54.840 -0.402 0.000 0.749 377 L CB -1.217 40.773 42.059 -0.115 0.000 0.890 377 L HN 0.252 nan 8.230 nan 0.000 0.431 378 K N -0.538 119.720 120.400 -0.236 0.000 2.044 378 K HA -0.242 4.079 4.320 0.001 0.000 0.210 378 K C 2.256 178.715 176.600 -0.235 0.000 1.049 378 K CA 2.041 58.217 56.287 -0.185 0.000 0.927 378 K CB -0.104 32.307 32.500 -0.148 0.000 0.713 378 K HN 0.370 nan 8.250 nan 0.000 0.443 379 R N -0.393 119.935 120.500 -0.287 0.000 2.081 379 R HA -0.081 4.259 4.340 0.001 0.000 0.235 379 R C 2.428 178.517 176.300 -0.351 0.000 1.131 379 R CA 1.963 57.901 56.100 -0.271 0.000 0.960 379 R CB -0.522 29.642 30.300 -0.226 0.000 0.856 379 R HN 0.246 nan 8.270 nan 0.000 0.436 380 T N 1.665 115.863 114.554 -0.593 0.000 2.708 380 T HA -0.090 4.261 4.350 0.001 0.000 0.266 380 T C 1.935 176.359 174.700 -0.459 0.000 1.037 380 T CA 1.078 62.800 62.100 -0.631 0.000 1.146 380 T CB -0.209 67.951 68.868 -1.179 0.000 0.865 380 T HN 0.087 nan 8.240 nan 0.000 0.435 381 L N 0.938 121.887 121.223 -0.457 0.000 1.989 381 L HA -0.132 4.209 4.340 0.001 0.000 0.211 381 L C 3.079 179.717 176.870 -0.388 0.000 1.071 381 L CA 1.479 56.021 54.840 -0.497 0.000 0.749 381 L CB -0.731 41.161 42.059 -0.280 0.000 0.890 381 L HN 0.245 nan 8.230 nan 0.000 0.431 382 A N -0.273 122.427 122.820 -0.200 0.000 1.978 382 A HA -0.196 4.124 4.320 0.001 0.000 0.220 382 A C 2.313 179.851 177.584 -0.077 0.000 1.170 382 A CA 1.935 53.921 52.037 -0.086 0.000 0.636 382 A CB -0.628 18.331 19.000 -0.069 0.000 0.810 382 A HN 0.541 nan 8.150 nan 0.000 0.448 383 S N -1.345 114.284 115.700 -0.119 0.000 2.605 383 S HA 0.194 4.665 4.470 0.001 0.000 0.217 383 S C 0.307 174.870 174.600 -0.060 0.000 0.958 383 S CA 0.545 58.709 58.200 -0.061 0.000 0.919 383 S CB -0.311 62.861 63.200 -0.047 0.000 0.780 383 S HN 0.540 nan 8.310 nan 0.000 0.507 384 E N 0.304 120.407 120.200 -0.162 0.000 2.637 384 E HA -0.237 4.114 4.350 0.001 0.000 0.265 384 E C 0.383 176.922 176.600 -0.103 0.000 1.073 384 E CA 0.732 57.031 56.400 -0.168 0.000 0.778 384 E CB -1.668 28.070 29.700 0.064 0.000 1.362 384 E HN 0.787 nan 8.360 nan 0.000 0.413 385 Q N -0.552 119.181 119.800 -0.112 0.000 2.398 385 Q HA 0.147 4.487 4.340 0.001 0.000 0.204 385 Q C 0.898 176.968 176.000 0.117 0.000 0.932 385 Q CA 0.546 56.409 55.803 0.099 0.000 0.916 385 Q CB 0.454 29.373 28.738 0.302 0.000 1.024 385 Q HN 0.335 nan 8.270 nan 0.000 0.504 386 L N 1.032 122.193 121.223 -0.103 0.000 2.334 386 L HA 0.343 4.684 4.340 0.001 0.000 0.272 386 L C 0.646 177.543 176.870 0.045 0.000 1.020 386 L CA -0.833 53.998 54.840 -0.015 0.000 0.812 386 L CB 1.477 43.462 42.059 -0.124 0.000 1.264 386 L HN 0.041 nan 8.230 nan 0.000 0.439 387 T N -2.168 112.471 114.554 0.143 0.000 2.754 387 T HA 0.121 4.472 4.350 0.001 0.000 0.286 387 T C 1.127 175.992 174.700 0.276 0.000 0.997 387 T CA -0.544 61.679 62.100 0.206 0.000 0.982 387 T CB 1.197 70.149 68.868 0.139 0.000 1.027 387 T HN 0.535 nan 8.240 nan 0.000 0.529 388 S N 0.524 116.374 115.700 0.251 0.000 2.368 388 S HA -0.039 4.432 4.470 0.001 0.000 0.225 388 S C 2.459 177.137 174.600 0.129 0.000 1.030 388 S CA 1.012 59.324 58.200 0.185 0.000 0.999 388 S CB -0.963 62.272 63.200 0.058 0.000 0.844 388 S HN 0.865 nan 8.310 nan 0.000 0.459 389 A N 1.441 124.320 122.820 0.099 0.000 1.898 389 A HA -0.097 4.224 4.320 0.001 0.000 0.216 389 A C 1.994 179.624 177.584 0.077 0.000 1.181 389 A CA 1.342 53.421 52.037 0.070 0.000 0.620 389 A CB -0.494 18.539 19.000 0.054 0.000 0.819 389 A HN 0.517 nan 8.150 nan 0.000 0.442 390 E N -0.227 120.029 120.200 0.094 0.000 2.072 390 E HA -0.068 4.282 4.350 0.001 0.000 0.191 390 E C 2.288 178.938 176.600 0.082 0.000 0.985 390 E CA 0.891 57.344 56.400 0.088 0.000 0.801 390 E CB -0.278 29.487 29.700 0.108 0.000 0.750 390 E HN 0.603 nan 8.360 nan 0.000 0.452 391 A N 0.679 123.565 122.820 0.109 0.000 1.940 391 A HA -0.191 4.130 4.320 0.001 0.000 0.219 391 A C 2.327 179.969 177.584 0.098 0.000 1.176 391 A CA 1.849 53.955 52.037 0.114 0.000 0.631 391 A CB -0.792 18.363 19.000 0.259 0.000 0.814 391 A HN 0.174 nan 8.150 nan 0.000 0.446 392 T N -0.017 114.590 114.554 0.090 0.000 2.867 392 T HA -0.127 4.224 4.350 0.001 0.000 0.268 392 T C 2.013 176.744 174.700 0.052 0.000 1.057 392 T CA 1.671 63.808 62.100 0.061 0.000 1.136 392 T CB -0.187 68.708 68.868 0.044 0.000 0.874 392 T HN 0.671 nan 8.240 nan 0.000 0.466 393 Q N -0.021 119.811 119.800 0.052 0.000 2.137 393 Q HA 0.189 4.530 4.340 0.001 0.000 0.198 393 Q C 2.222 178.255 176.000 0.056 0.000 0.960 393 Q CA 0.870 56.700 55.803 0.045 0.000 0.847 393 Q CB -0.029 28.733 28.738 0.040 0.000 0.915 393 Q HN 0.459 nan 8.270 nan 0.000 0.448 394 I N -0.354 120.254 120.570 0.062 0.000 2.703 394 I HA -0.131 4.040 4.170 0.001 0.000 0.259 394 I C 1.798 177.956 176.117 0.068 0.000 1.151 394 I CA 0.307 61.647 61.300 0.068 0.000 1.470 394 I CB 0.366 38.400 38.000 0.058 0.000 1.112 394 I HN -0.025 nan 8.210 nan 0.000 0.437 395 V N 1.417 121.370 119.914 0.064 0.000 2.427 395 V HA -0.241 3.879 4.120 0.001 0.000 0.248 395 V C 2.623 178.765 176.094 0.080 0.000 1.051 395 V CA 1.732 64.074 62.300 0.069 0.000 1.048 395 V CB -0.863 31.003 31.823 0.073 0.000 0.666 395 V HN 0.544 nan 8.190 nan 0.000 0.456 396 A N -0.404 122.460 122.820 0.074 0.000 1.829 396 A HA -0.233 4.087 4.320 0.001 0.000 0.216 396 A C 2.507 180.143 177.584 0.086 0.000 1.207 396 A CA 2.426 54.508 52.037 0.075 0.000 0.622 396 A CB -1.133 17.903 19.000 0.060 0.000 0.846 396 A HN 0.465 nan 8.150 nan 0.000 0.447 397 S N -0.546 115.206 115.700 0.086 0.000 2.374 397 S HA -0.162 4.309 4.470 0.001 0.000 0.227 397 S C 2.063 176.730 174.600 0.112 0.000 1.037 397 S CA 2.009 60.271 58.200 0.103 0.000 1.024 397 S CB -0.634 62.632 63.200 0.110 0.000 0.861 397 S HN 0.741 nan 8.310 nan 0.000 0.456 398 T N 2.503 117.119 114.554 0.105 0.000 2.737 398 T HA 0.085 4.435 4.350 0.001 0.000 0.265 398 T C 1.810 176.574 174.700 0.107 0.000 1.038 398 T CA 0.871 63.035 62.100 0.107 0.000 1.144 398 T CB -0.396 68.532 68.868 0.100 0.000 0.866 398 T HN 0.227 nan 8.240 nan 0.000 0.434 399 L N 1.584 122.871 121.223 0.107 0.000 2.046 399 L HA -0.113 4.228 4.340 0.001 0.000 0.208 399 L C 2.893 179.829 176.870 0.109 0.000 1.077 399 L CA 1.531 56.438 54.840 0.111 0.000 0.747 399 L CB -0.598 41.532 42.059 0.119 0.000 0.896 399 L HN 0.396 nan 8.230 nan 0.000 0.432 400 S N -1.339 114.434 115.700 0.121 0.000 2.446 400 S HA -0.102 4.369 4.470 0.001 0.000 0.225 400 S C 1.632 176.316 174.600 0.140 0.000 1.016 400 S CA 0.784 59.073 58.200 0.149 0.000 0.943 400 S CB -0.356 62.942 63.200 0.163 0.000 0.786 400 S HN 0.348 nan 8.310 nan 0.000 0.508 401 N N 1.583 120.355 118.700 0.121 0.000 2.383 401 N HA 0.085 4.826 4.740 0.001 0.000 0.192 401 N C -0.072 175.482 175.510 0.072 0.000 1.141 401 N CA 0.004 53.115 53.050 0.103 0.000 0.851 401 N CB -0.260 38.295 38.487 0.114 0.000 0.976 401 N HN 0.369 nan 8.380 nan 0.000 0.465 402 Q N 0.507 120.349 119.800 0.070 0.000 2.337 402 Q HA -0.027 4.314 4.340 0.001 0.000 0.270 402 Q C -0.288 175.727 176.000 0.026 0.000 1.002 402 Q CA 0.099 55.936 55.803 0.056 0.000 0.888 402 Q CB 1.029 29.806 28.738 0.065 0.000 1.222 402 Q HN 0.268 nan 8.270 nan 0.000 0.400 403 Q N 1.569 121.380 119.800 0.017 0.000 2.664 403 Q HA 0.318 4.659 4.340 0.001 0.000 0.223 403 Q C -0.959 175.048 176.000 0.012 0.000 1.298 403 Q CA -0.124 55.674 55.803 -0.008 0.000 0.965 403 Q CB -0.124 28.603 28.738 -0.019 0.000 1.510 403 Q HN 0.580 nan 8.270 nan 0.000 0.567 404 A N 3.390 126.227 122.820 0.028 0.000 2.580 404 A HA 0.344 4.665 4.320 0.001 0.000 0.244 404 A C 0.406 178.089 177.584 0.164 0.000 1.045 404 A CA 0.768 52.859 52.037 0.091 0.000 0.761 404 A CB -0.267 18.815 19.000 0.136 0.000 0.962 404 A HN 0.826 nan 8.150 nan 0.000 0.512 405 T N -0.059 114.566 114.554 0.117 0.000 2.742 405 T HA 0.575 4.925 4.350 0.001 0.000 0.282 405 T C 1.033 175.699 174.700 -0.057 0.000 1.025 405 T CA -0.871 61.310 62.100 0.135 0.000 1.020 405 T CB 0.931 69.820 68.868 0.035 0.000 1.317 405 T HN 0.431 nan 8.240 nan 0.000 0.538 406 R N 0.228 120.667 120.500 -0.103 0.000 2.092 406 R HA 0.021 4.361 4.340 0.001 0.000 0.231 406 R C 2.119 178.270 176.300 -0.249 0.000 1.119 406 R CA 1.415 57.365 56.100 -0.249 0.000 0.970 406 R CB -0.938 29.262 30.300 -0.166 0.000 0.864 406 R HN 0.787 nan 8.270 nan 0.000 0.440 407 E N 0.521 120.570 120.200 -0.251 0.000 2.106 407 E HA -0.064 4.286 4.350 0.001 0.000 0.192 407 E C 1.857 178.085 176.600 -0.620 0.000 0.984 407 E CA 1.376 57.488 56.400 -0.480 0.000 0.806 407 E CB -0.068 29.395 29.700 -0.394 0.000 0.750 407 E HN 0.077 nan 8.360 nan 0.000 0.458 408 S N -0.002 115.522 115.700 -0.293 0.000 2.365 408 S HA -0.174 4.297 4.470 0.001 0.000 0.225 408 S C 1.885 176.433 174.600 -0.087 0.000 1.039 408 S CA 1.331 59.459 58.200 -0.121 0.000 1.033 408 S CB -0.372 62.813 63.200 -0.025 0.000 0.887 408 S HN 0.260 nan 8.310 nan 0.000 0.447 409 L N 0.890 122.033 121.223 -0.133 0.000 2.083 409 L HA -0.095 4.245 4.340 0.001 0.000 0.209 409 L C 2.560 179.444 176.870 0.023 0.000 1.083 409 L CA 0.914 55.724 54.840 -0.049 0.000 0.752 409 L CB -0.488 41.451 42.059 -0.200 0.000 0.899 409 L HN 0.247 nan 8.230 nan 0.000 0.433 410 S N -1.221 114.406 115.700 -0.122 0.000 2.345 410 S HA -0.160 4.310 4.470 0.001 0.000 0.220 410 S C 1.881 176.503 174.600 0.037 0.000 1.031 410 S CA 1.099 59.250 58.200 -0.082 0.000 0.996 410 S CB -0.338 62.756 63.200 -0.177 0.000 0.882 410 S HN 0.303 nan 8.310 nan 0.000 0.445 411 Y N 1.768 122.086 120.300 0.031 0.000 2.274 411 Y HA 0.057 4.608 4.550 0.001 0.000 0.290 411 Y C 2.596 178.523 175.900 0.045 0.000 1.145 411 Y CA -0.124 57.993 58.100 0.028 0.000 1.203 411 Y CB -1.326 37.150 38.460 0.027 0.000 0.984 411 Y HN 0.259 nan 8.280 nan 0.000 0.533 412 A N 0.251 123.206 122.820 0.226 0.000 1.930 412 A HA -0.169 4.152 4.320 0.001 0.000 0.217 412 A C 2.394 180.056 177.584 0.129 0.000 1.175 412 A CA 1.327 53.501 52.037 0.228 0.000 0.627 412 A CB -0.511 18.685 19.000 0.326 0.000 0.815 412 A HN 0.359 nan 8.150 nan 0.000 0.443 413 R N -0.366 120.167 120.500 0.056 0.000 2.073 413 R HA -0.139 4.201 4.340 0.001 0.000 0.234 413 R C 2.103 178.365 176.300 -0.064 0.000 1.134 413 R CA 1.697 57.711 56.100 -0.143 0.000 0.952 413 R CB -0.346 29.887 30.300 -0.111 0.000 0.850 413 R HN 0.674 nan 8.270 nan 0.000 0.433 414 E N 0.485 120.696 120.200 0.018 0.000 2.160 414 E HA -0.214 4.136 4.350 0.001 0.000 0.195 414 E C 1.870 178.481 176.600 0.018 0.000 0.991 414 E CA 0.837 57.253 56.400 0.026 0.000 0.810 414 E CB -0.074 29.668 29.700 0.071 0.000 0.742 414 E HN 0.104 nan 8.360 nan 0.000 0.466 415 L N 0.637 121.882 121.223 0.036 0.000 2.093 415 L HA -0.130 4.210 4.340 0.001 0.000 0.208 415 L C 1.935 178.815 176.870 0.017 0.000 1.085 415 L CA 1.388 56.248 54.840 0.033 0.000 0.755 415 L CB -0.132 41.962 42.059 0.059 0.000 0.904 415 L HN 0.131 nan 8.230 nan 0.000 0.435 416 L N -0.516 120.697 121.223 -0.017 0.000 2.353 416 L HA -0.148 4.193 4.340 0.001 0.000 0.220 416 L C 1.527 178.382 176.870 -0.025 0.000 1.133 416 L CA 0.533 55.352 54.840 -0.034 0.000 0.798 416 L CB -0.590 41.404 42.059 -0.108 0.000 0.922 416 L HN 0.350 nan 8.230 nan 0.000 0.445 417 N N -1.056 117.632 118.700 -0.020 0.000 2.336 417 N HA 0.020 4.761 4.740 0.001 0.000 0.189 417 N C 0.328 175.842 175.510 0.008 0.000 1.113 417 N CA 0.235 53.278 53.050 -0.012 0.000 0.858 417 N CB 0.306 38.784 38.487 -0.015 0.000 0.970 417 N HN 0.130 nan 8.380 nan 0.000 0.471 418 T N -0.064 114.503 114.554 0.021 0.000 2.884 418 T HA 0.022 4.372 4.350 0.001 0.000 0.298 418 T C 1.527 176.263 174.700 0.060 0.000 0.998 418 T CA -0.063 62.063 62.100 0.044 0.000 1.124 418 T CB 1.693 70.593 68.868 0.053 0.000 0.931 418 T HN 0.074 nan 8.240 nan 0.000 0.531 419 S N 3.185 118.925 115.700 0.067 0.000 2.368 419 S HA -0.135 4.336 4.470 0.001 0.000 0.224 419 S C 1.848 176.484 174.600 0.060 0.000 1.029 419 S CA 0.937 59.168 58.200 0.052 0.000 0.988 419 S CB -0.633 62.597 63.200 0.051 0.000 0.838 419 S HN 0.672 nan 8.310 nan 0.000 0.462 420 F N 1.610 121.552 119.950 -0.012 0.000 2.154 420 F HA -0.027 4.500 4.527 0.001 0.000 0.301 420 F C 1.819 177.614 175.800 -0.010 0.000 1.087 420 F CA 1.729 59.722 58.000 -0.010 0.000 1.274 420 F CB -0.249 38.741 39.000 -0.016 0.000 1.009 420 F HN 0.252 nan 8.300 nan 0.000 0.485 421 I N -0.313 120.343 120.570 0.142 0.000 2.333 421 I HA -0.210 3.961 4.170 0.001 0.000 0.246 421 I C 2.430 178.532 176.117 -0.025 0.000 1.106 421 I CA 0.960 62.295 61.300 0.058 0.000 1.411 421 I CB -0.406 37.648 38.000 0.089 0.000 1.082 421 I HN -0.027 nan 8.210 nan 0.000 0.420 422 R N 0.816 121.307 120.500 -0.015 0.000 2.081 422 R HA -0.115 4.226 4.340 0.001 0.000 0.235 422 R C 1.722 177.990 176.300 -0.054 0.000 1.131 422 R CA 1.416 57.500 56.100 -0.026 0.000 0.960 422 R CB -0.571 29.722 30.300 -0.012 0.000 0.856 422 R HN 0.368 nan 8.270 nan 0.000 0.436 423 N N 0.899 119.548 118.700 -0.085 0.000 2.573 423 N HA -0.076 4.665 4.740 0.001 0.000 0.187 423 N C -0.094 175.327 175.510 -0.148 0.000 1.107 423 N CA 0.851 53.834 53.050 -0.112 0.000 0.918 423 N CB 0.073 38.482 38.487 -0.130 0.000 0.966 423 N HN 0.155 nan 8.380 nan 0.000 0.448 424 R N 0.083 120.486 120.500 -0.162 0.000 2.371 424 R HA 0.226 4.567 4.340 0.001 0.000 0.312 424 R C -1.833 174.411 176.300 -0.093 0.000 0.980 424 R CA -1.623 54.384 56.100 -0.155 0.000 0.867 424 R CB 1.934 32.086 30.300 -0.246 0.000 1.163 424 R HN -0.078 nan 8.270 nan 0.000 0.492 425 P HA -0.249 nan 4.420 nan 0.000 0.214 425 P C 1.046 178.303 177.300 -0.071 0.000 1.172 425 P CA 1.503 64.566 63.100 -0.062 0.000 0.925 425 P CB 0.198 31.863 31.700 -0.058 0.000 0.793 426 I N -1.849 118.674 120.570 -0.078 0.000 2.361 426 I HA -0.209 3.962 4.170 0.001 0.000 0.251 426 I C 2.220 178.305 176.117 -0.053 0.000 1.133 426 I CA 1.202 62.450 61.300 -0.087 0.000 1.413 426 I CB -0.508 37.447 38.000 -0.075 0.000 1.073 426 I HN -0.042 nan 8.210 nan 0.000 0.424 427 L N 0.154 121.356 121.223 -0.035 0.000 2.072 427 L HA -0.151 4.190 4.340 0.001 0.000 0.205 427 L C 2.752 179.627 176.870 0.009 0.000 1.079 427 L CA 1.101 55.941 54.840 0.001 0.000 0.752 427 L CB -0.580 41.485 42.059 0.010 0.000 0.906 427 L HN 0.218 nan 8.230 nan 0.000 0.436 428 R N 0.799 121.293 120.500 -0.009 0.000 2.096 428 R HA -0.167 4.174 4.340 0.001 0.000 0.235 428 R C 2.238 178.551 176.300 0.022 0.000 1.127 428 R CA 1.347 57.451 56.100 0.006 0.000 0.968 428 R CB 0.028 30.324 30.300 -0.008 0.000 0.861 428 R HN 0.234 nan 8.270 nan 0.000 0.440 429 K N -0.750 119.651 120.400 0.002 0.000 2.057 429 K HA -0.076 4.245 4.320 0.001 0.000 0.206 429 K C 2.046 178.678 176.600 0.054 0.000 1.050 429 K CA 1.905 58.204 56.287 0.020 0.000 0.935 429 K CB -0.074 32.364 32.500 -0.103 0.000 0.715 429 K HN 0.170 nan 8.250 nan 0.000 0.439 430 T N 0.761 115.333 114.554 0.030 0.000 2.777 430 T HA -0.110 4.241 4.350 0.001 0.000 0.266 430 T C 1.873 176.621 174.700 0.081 0.000 1.040 430 T CA 1.361 63.493 62.100 0.053 0.000 1.141 430 T CB -0.147 68.743 68.868 0.036 0.000 0.868 430 T HN 0.321 nan 8.240 nan 0.000 0.444 431 A N 0.616 123.482 122.820 0.077 0.000 1.930 431 A HA 0.001 4.322 4.320 0.001 0.000 0.217 431 A C 2.514 180.175 177.584 0.128 0.000 1.175 431 A CA 1.128 53.224 52.037 0.099 0.000 0.627 431 A CB -0.769 18.278 19.000 0.079 0.000 0.815 431 A HN 0.366 nan 8.150 nan 0.000 0.443 432 V N 0.109 120.089 119.914 0.109 0.000 2.323 432 V HA -0.211 3.910 4.120 0.001 0.000 0.244 432 V C 2.530 178.725 176.094 0.168 0.000 1.041 432 V CA 1.743 64.123 62.300 0.132 0.000 1.025 432 V CB -0.763 31.116 31.823 0.094 0.000 0.656 432 V HN 0.564 nan 8.190 nan 0.000 0.451 433 L N 0.542 121.851 121.223 0.143 0.000 2.079 433 L HA -0.143 4.198 4.340 0.001 0.000 0.210 433 L C 2.586 179.526 176.870 0.118 0.000 1.081 433 L CA 1.790 56.705 54.840 0.125 0.000 0.752 433 L CB -1.092 41.044 42.059 0.129 0.000 0.896 433 L HN 0.497 nan 8.230 nan 0.000 0.433 434 G N -1.276 107.603 108.800 0.132 0.000 2.408 434 G HA2 -0.329 3.632 3.960 0.001 0.000 0.217 434 G HA3 -0.329 3.632 3.960 0.001 0.000 0.217 434 G C 1.469 176.448 174.900 0.131 0.000 1.150 434 G CA 0.512 45.688 45.100 0.126 0.000 0.776 434 G HN 0.360 nan 8.290 nan 0.000 0.542 435 Y N 1.982 122.320 120.300 0.064 0.000 2.242 435 Y HA 0.029 4.580 4.550 0.001 0.000 0.291 435 Y C 2.662 178.599 175.900 0.062 0.000 1.137 435 Y CA 1.382 59.513 58.100 0.053 0.000 1.181 435 Y CB -0.380 38.100 38.460 0.033 0.000 0.989 435 Y HN 0.111 nan 8.280 nan 0.000 0.527 436 G N -0.974 107.859 108.800 0.056 0.000 2.402 436 G HA2 -0.234 3.727 3.960 0.001 0.000 0.216 436 G HA3 -0.234 3.727 3.960 0.001 0.000 0.216 436 G C 1.821 176.735 174.900 0.023 0.000 1.162 436 G CA 1.016 46.123 45.100 0.013 0.000 0.777 436 G HN 0.435 nan 8.290 nan 0.000 0.539 437 S N 0.372 116.109 115.700 0.061 0.000 2.368 437 S HA -0.105 4.366 4.470 0.001 0.000 0.225 437 S C 2.145 176.836 174.600 0.151 0.000 1.030 437 S CA 1.056 59.339 58.200 0.138 0.000 0.999 437 S CB -0.292 62.991 63.200 0.139 0.000 0.844 437 S HN 0.223 nan 8.310 nan 0.000 0.459 438 L N 1.910 123.141 121.223 0.014 0.000 2.083 438 L HA -0.020 4.320 4.340 0.001 0.000 0.209 438 L C 2.137 178.965 176.870 -0.071 0.000 1.083 438 L CA 1.410 56.229 54.840 -0.036 0.000 0.752 438 L CB -0.669 41.312 42.059 -0.130 0.000 0.899 438 L HN 0.123 nan 8.230 nan 0.000 0.433 439 V N -0.882 118.918 119.914 -0.191 0.000 2.307 439 V HA -0.299 3.822 4.120 0.001 0.000 0.245 439 V C 2.298 178.424 176.094 0.054 0.000 1.045 439 V CA 1.974 64.198 62.300 -0.125 0.000 1.024 439 V CB -0.847 30.854 31.823 -0.204 0.000 0.651 439 V HN 0.498 nan 8.190 nan 0.000 0.449 440 F N 1.352 121.297 119.950 -0.008 0.000 2.126 440 F HA -0.234 4.294 4.527 0.001 0.000 0.299 440 F C 2.519 178.340 175.800 0.034 0.000 1.096 440 F CA 1.911 59.940 58.000 0.049 0.000 1.255 440 F CB -0.183 38.886 39.000 0.115 0.000 0.997 440 F HN 0.002 nan 8.300 nan 0.000 0.479 441 R N -1.526 119.114 120.500 0.232 0.000 2.073 441 R HA -0.171 4.170 4.340 0.001 0.000 0.229 441 R C 2.141 178.416 176.300 -0.041 0.000 1.120 441 R CA 1.615 57.743 56.100 0.048 0.000 0.967 441 R CB -1.062 29.239 30.300 0.002 0.000 0.862 441 R HN 0.407 nan 8.270 nan 0.000 0.436 442 Y N 0.450 120.688 120.300 -0.103 0.000 2.165 442 Y HA -0.301 4.250 4.550 0.001 0.000 0.286 442 Y C 1.864 177.678 175.900 -0.144 0.000 1.155 442 Y CA 1.295 59.323 58.100 -0.120 0.000 1.164 442 Y CB -0.109 38.285 38.460 -0.110 0.000 0.978 442 Y HN 0.053 nan 8.280 nan 0.000 0.513 443 c N -0.097 118.446 118.600 -0.095 0.000 2.618 443 c HA 0.252 4.823 4.570 0.001 0.000 0.264 443 c C 2.838 176.753 174.090 -0.292 0.000 1.334 443 c CA 0.377 56.602 56.329 -0.173 0.000 1.731 443 c CB -1.679 40.777 42.510 -0.090 0.000 1.852 443 c HN 0.695 nan 8.230 nan 0.000 0.566 444 A N 2.862 125.460 122.820 -0.370 0.000 1.978 444 A HA -0.206 4.115 4.320 0.001 0.000 0.220 444 A C 1.842 179.291 177.584 -0.225 0.000 1.170 444 A CA 2.296 54.103 52.037 -0.384 0.000 0.636 444 A CB -0.446 18.358 19.000 -0.327 0.000 0.810 444 A HN 0.732 nan 8.150 nan 0.000 0.448 445 N N -0.624 117.944 118.700 -0.220 0.000 2.236 445 N HA 0.017 4.757 4.740 0.001 0.000 0.196 445 N C 0.438 175.859 175.510 -0.149 0.000 1.114 445 N CA 0.886 53.841 53.050 -0.159 0.000 0.859 445 N CB -0.706 37.664 38.487 -0.195 0.000 0.982 445 N HN 0.402 nan 8.380 nan 0.000 0.493 446 T N -3.636 110.814 114.554 -0.174 0.000 2.943 446 T HA 0.363 4.714 4.350 0.001 0.000 0.284 446 T C 0.955 175.609 174.700 -0.078 0.000 1.015 446 T CA -0.628 61.396 62.100 -0.126 0.000 1.042 446 T CB 1.862 70.649 68.868 -0.136 0.000 1.055 446 T HN -0.156 nan 8.240 nan 0.000 0.500 447 V N 1.341 121.228 119.914 -0.045 0.000 2.379 447 V HA 0.166 4.287 4.120 0.001 0.000 0.245 447 V C 1.031 177.112 176.094 -0.022 0.000 1.044 447 V CA 1.967 64.252 62.300 -0.025 0.000 1.036 447 V CB -0.054 31.764 31.823 -0.008 0.000 0.664 447 V HN 1.040 nan 8.190 nan 0.000 0.453 448 S N -0.913 114.777 115.700 -0.017 0.000 2.605 448 S HA 0.336 4.807 4.470 0.001 0.000 0.308 448 S C -0.712 173.895 174.600 0.010 0.000 1.113 448 S CA -0.637 57.563 58.200 -0.000 0.000 1.049 448 S CB 0.851 64.057 63.200 0.010 0.000 1.001 448 S HN 0.516 nan 8.310 nan 0.000 0.480 449 c N 7.373 125.983 118.600 0.018 0.000 2.482 449 c HA 0.568 5.139 4.570 0.001 0.000 0.378 449 c C -2.373 171.751 174.090 0.056 0.000 1.284 449 c CA -1.730 54.626 56.329 0.045 0.000 1.826 449 c CB -0.410 42.117 42.510 0.029 0.000 2.473 449 c HN 0.705 nan 8.230 nan 0.000 0.562 450 P HA 0.097 nan 4.420 nan 0.000 0.264 450 P C 0.095 177.418 177.300 0.039 0.000 1.193 450 P CA 0.499 63.631 63.100 0.052 0.000 0.763 450 P CB 0.571 32.301 31.700 0.051 0.000 0.810 451 D N 2.197 122.623 120.400 0.044 0.000 2.097 451 D HA -0.181 4.459 4.640 0.001 0.000 0.195 451 D C 1.436 177.758 176.300 0.037 0.000 0.989 451 D CA 1.485 55.519 54.000 0.057 0.000 0.827 451 D CB -0.251 40.595 40.800 0.076 0.000 0.966 451 D HN 0.501 nan 8.370 nan 0.000 0.456 452 E N 0.362 120.578 120.200 0.026 0.000 2.233 452 E HA -0.172 4.179 4.350 0.001 0.000 0.199 452 E C 1.995 178.603 176.600 0.013 0.000 1.004 452 E CA 0.557 56.967 56.400 0.016 0.000 0.819 452 E CB -0.364 29.338 29.700 0.004 0.000 0.738 452 E HN 0.359 nan 8.360 nan 0.000 0.478 453 L N -0.261 120.962 121.223 -0.000 0.000 2.141 453 L HA -0.093 4.247 4.340 0.001 0.000 0.209 453 L C 2.002 178.910 176.870 0.063 0.000 1.094 453 L CA 0.836 55.686 54.840 0.017 0.000 0.763 453 L CB -0.253 41.765 42.059 -0.068 0.000 0.908 453 L HN 0.182 nan 8.230 nan 0.000 0.437 454 L N -1.227 119.973 121.223 -0.039 0.000 2.509 454 L HA -0.039 4.301 4.340 0.001 0.000 0.222 454 L C 2.527 179.246 176.870 -0.252 0.000 1.123 454 L CA -0.051 54.671 54.840 -0.197 0.000 0.856 454 L CB -0.313 41.458 42.059 -0.480 0.000 0.985 454 L HN 0.207 nan 8.230 nan 0.000 0.456 455 Q N 0.568 120.323 119.800 -0.076 0.000 2.096 455 Q HA -0.213 4.127 4.340 0.001 0.000 0.208 455 Q C -0.208 175.787 176.000 -0.008 0.000 0.993 455 Q CA 2.174 57.976 55.803 -0.002 0.000 0.862 455 Q CB -1.493 27.261 28.738 0.028 0.000 0.915 455 Q HN 0.352 nan 8.270 nan 0.000 0.416 456 P HA -0.134 nan 4.420 nan 0.000 0.215 456 P C 1.409 178.679 177.300 -0.051 0.000 1.153 456 P CA 1.172 64.207 63.100 -0.107 0.000 0.853 456 P CB -0.144 31.359 31.700 -0.329 0.000 0.788 457 L N -2.373 118.839 121.223 -0.018 0.000 2.131 457 L HA -0.101 4.240 4.340 0.001 0.000 0.206 457 L C 2.453 179.371 176.870 0.080 0.000 1.087 457 L CA 1.261 56.114 54.840 0.021 0.000 0.767 457 L CB -1.058 41.029 42.059 0.046 0.000 0.917 457 L HN 0.128 nan 8.230 nan 0.000 0.441 458 H N -0.378 118.725 119.070 0.056 0.000 2.389 458 H HA -0.140 4.417 4.556 0.001 0.000 0.299 458 H C 1.727 177.083 175.328 0.047 0.000 1.081 458 H CA 0.794 56.874 56.048 0.053 0.000 1.345 458 H CB 0.250 30.047 29.762 0.058 0.000 1.393 458 H HN 0.291 nan 8.280 nan 0.000 0.520 459 D N 0.833 121.326 120.400 0.156 0.000 2.097 459 D HA -0.156 4.485 4.640 0.001 0.000 0.195 459 D C 2.259 178.601 176.300 0.070 0.000 0.989 459 D CA 0.527 54.582 54.000 0.091 0.000 0.827 459 D CB -0.317 40.514 40.800 0.051 0.000 0.966 459 D HN 0.284 nan 8.370 nan 0.000 0.456 460 L N 0.392 121.645 121.223 0.051 0.000 2.012 460 L HA -0.175 4.166 4.340 0.001 0.000 0.210 460 L C 2.342 179.240 176.870 0.047 0.000 1.073 460 L CA 0.942 55.804 54.840 0.036 0.000 0.748 460 L CB -0.185 41.884 42.059 0.018 0.000 0.891 460 L HN 0.079 nan 8.230 nan 0.000 0.431 461 L N -0.814 120.444 121.223 0.059 0.000 2.131 461 L HA -0.202 4.138 4.340 0.001 0.000 0.210 461 L C 2.664 179.606 176.870 0.121 0.000 1.092 461 L CA 2.060 56.922 54.840 0.037 0.000 0.759 461 L CB -0.462 41.612 42.059 0.025 0.000 0.903 461 L HN 0.226 nan 8.230 nan 0.000 0.435 462 S N -1.467 114.313 115.700 0.132 0.000 2.406 462 S HA -0.161 4.309 4.470 0.001 0.000 0.228 462 S C 1.894 176.566 174.600 0.120 0.000 1.020 462 S CA 1.148 59.433 58.200 0.142 0.000 0.965 462 S CB -0.146 63.120 63.200 0.111 0.000 0.798 462 S HN 0.687 nan 8.310 nan 0.000 0.488 463 Q N 0.584 120.438 119.800 0.091 0.000 2.269 463 Q HA -0.005 4.336 4.340 0.001 0.000 0.201 463 Q C 2.422 178.472 176.000 0.083 0.000 0.946 463 Q CA 1.336 57.185 55.803 0.076 0.000 0.877 463 Q CB -0.090 28.681 28.738 0.054 0.000 0.963 463 Q HN 0.785 nan 8.270 nan 0.000 0.472 464 S N -0.191 115.558 115.700 0.082 0.000 2.406 464 S HA -0.115 4.355 4.470 0.001 0.000 0.228 464 S C 2.041 176.724 174.600 0.138 0.000 1.020 464 S CA 1.184 59.431 58.200 0.079 0.000 0.965 464 S CB -0.157 63.062 63.200 0.032 0.000 0.798 464 S HN 0.229 nan 8.310 nan 0.000 0.488 465 S N 1.641 117.464 115.700 0.205 0.000 2.395 465 S HA -0.101 4.369 4.470 0.001 0.000 0.225 465 S C 1.553 176.286 174.600 0.223 0.000 1.027 465 S CA 1.076 59.467 58.200 0.318 0.000 0.965 465 S CB -0.753 62.724 63.200 0.462 0.000 0.812 465 S HN 0.481 nan 8.310 nan 0.000 0.482 466 D N 1.306 121.801 120.400 0.159 0.000 2.149 466 D HA -0.052 4.588 4.640 0.001 0.000 0.198 466 D C 1.920 178.279 176.300 0.099 0.000 0.990 466 D CA 0.862 54.930 54.000 0.114 0.000 0.839 466 D CB -0.167 40.685 40.800 0.088 0.000 0.948 466 D HN 0.340 nan 8.370 nan 0.000 0.460 467 R N 0.179 120.737 120.500 0.098 0.000 2.299 467 R HA 0.240 4.581 4.340 0.001 0.000 0.197 467 R C 0.933 177.290 176.300 0.095 0.000 0.971 467 R CA 0.482 56.631 56.100 0.081 0.000 1.030 467 R CB -0.422 29.918 30.300 0.067 0.000 0.932 467 R HN 0.040 nan 8.270 nan 0.000 0.477 468 A N 1.844 124.743 122.820 0.132 0.000 2.704 468 A HA -0.224 4.097 4.320 0.001 0.000 0.299 468 A C 0.145 177.803 177.584 0.123 0.000 1.507 468 A CA 1.186 53.313 52.037 0.150 0.000 0.776 468 A CB -1.470 17.605 19.000 0.125 0.000 1.027 468 A HN 0.177 nan 8.150 nan 0.000 0.475 469 K N 0.861 121.328 120.400 0.111 0.000 2.299 469 K HA 0.430 4.751 4.320 0.001 0.000 0.268 469 K C 0.823 177.473 176.600 0.084 0.000 1.075 469 K CA 0.081 56.419 56.287 0.084 0.000 0.936 469 K CB 0.673 33.212 32.500 0.065 0.000 1.228 469 K HN 0.511 nan 8.250 nan 0.000 0.454 470 E N 3.158 123.410 120.200 0.087 0.000 2.077 470 E HA -0.212 4.139 4.350 0.001 0.000 0.193 470 E C 0.431 177.057 176.600 0.044 0.000 0.989 470 E CA 1.244 57.690 56.400 0.077 0.000 0.800 470 E CB 0.333 30.083 29.700 0.084 0.000 0.746 470 E HN 0.618 nan 8.360 nan 0.000 0.452 471 E N 0.615 120.849 120.200 0.056 0.000 2.058 471 E HA -0.198 4.153 4.350 0.001 0.000 0.194 471 E C 2.043 178.678 176.600 0.057 0.000 0.997 471 E CA 0.914 57.355 56.400 0.069 0.000 0.801 471 E CB -0.147 29.601 29.700 0.080 0.000 0.746 471 E HN 0.340 nan 8.360 nan 0.000 0.450 472 E N 0.594 120.820 120.200 0.043 0.000 2.072 472 E HA -0.099 4.252 4.350 0.001 0.000 0.191 472 E C 2.355 178.941 176.600 -0.024 0.000 0.985 472 E CA 0.407 56.824 56.400 0.028 0.000 0.801 472 E CB -0.262 29.458 29.700 0.033 0.000 0.750 472 E HN 0.327 nan 8.360 nan 0.000 0.452 473 I N 0.514 121.049 120.570 -0.057 0.000 2.208 473 I HA -0.258 3.912 4.170 0.001 0.000 0.245 473 I C 2.449 178.419 176.117 -0.245 0.000 1.097 473 I CA 0.726 61.910 61.300 -0.195 0.000 1.363 473 I CB -0.282 37.590 38.000 -0.215 0.000 1.051 473 I HN -0.063 nan 8.210 nan 0.000 0.413 474 V N 0.701 120.518 119.914 -0.161 0.000 2.261 474 V HA -0.283 3.837 4.120 0.001 0.000 0.246 474 V C 2.398 178.362 176.094 -0.217 0.000 1.047 474 V CA 1.920 64.101 62.300 -0.200 0.000 1.015 474 V CB -0.540 31.198 31.823 -0.142 0.000 0.642 474 V HN 0.377 nan 8.190 nan 0.000 0.446 475 L N 0.993 122.167 121.223 -0.082 0.000 2.012 475 L HA -0.138 4.203 4.340 0.001 0.000 0.210 475 L C 2.408 179.251 176.870 -0.045 0.000 1.073 475 L CA 2.619 57.466 54.840 0.012 0.000 0.748 475 L CB -1.031 41.127 42.059 0.165 0.000 0.891 475 L HN 0.225 nan 8.230 nan 0.000 0.431 476 A N -0.621 122.159 122.820 -0.067 0.000 1.933 476 A HA -0.143 4.177 4.320 0.001 0.000 0.218 476 A C 2.272 179.793 177.584 -0.106 0.000 1.175 476 A CA 1.932 53.931 52.037 -0.063 0.000 0.628 476 A CB -0.890 18.067 19.000 -0.072 0.000 0.814 476 A HN 0.534 nan 8.150 nan 0.000 0.444 477 L N -0.838 120.266 121.223 -0.199 0.000 2.017 477 L HA -0.195 4.146 4.340 0.001 0.000 0.208 477 L C 2.571 179.340 176.870 -0.168 0.000 1.073 477 L CA 1.745 56.459 54.840 -0.210 0.000 0.745 477 L CB -0.405 41.475 42.059 -0.298 0.000 0.894 477 L HN 0.321 nan 8.230 nan 0.000 0.432 478 K N -0.141 120.132 120.400 -0.212 0.000 2.147 478 K HA -0.151 4.169 4.320 0.001 0.000 0.205 478 K C 2.153 178.690 176.600 -0.105 0.000 1.049 478 K CA 1.339 57.497 56.287 -0.216 0.000 0.936 478 K CB -0.202 32.093 32.500 -0.343 0.000 0.722 478 K HN 0.313 nan 8.250 nan 0.000 0.446 479 A N 0.838 123.631 122.820 -0.046 0.000 1.930 479 A HA -0.040 4.281 4.320 0.001 0.000 0.215 479 A C 2.014 179.615 177.584 0.028 0.000 1.176 479 A CA 0.895 52.945 52.037 0.022 0.000 0.632 479 A CB -0.370 18.670 19.000 0.067 0.000 0.819 479 A HN 0.133 nan 8.150 nan 0.000 0.445 480 L N -0.521 120.711 121.223 0.014 0.000 2.141 480 L HA -0.069 4.271 4.340 0.001 0.000 0.209 480 L C 2.779 179.671 176.870 0.036 0.000 1.094 480 L CA 0.842 55.708 54.840 0.043 0.000 0.763 480 L CB -0.659 41.438 42.059 0.063 0.000 0.908 480 L HN 0.474 nan 8.230 nan 0.000 0.437 481 G N 0.082 108.874 108.800 -0.015 0.000 2.476 481 G HA2 -0.316 3.645 3.960 0.001 0.000 0.218 481 G HA3 -0.316 3.645 3.960 0.001 0.000 0.218 481 G C 1.384 176.280 174.900 -0.008 0.000 1.164 481 G CA 1.004 46.086 45.100 -0.031 0.000 0.768 481 G HN 0.316 nan 8.290 nan 0.000 0.560 482 N N 1.131 119.821 118.700 -0.017 0.000 2.084 482 N HA -0.038 4.703 4.740 0.001 0.000 0.190 482 N C 2.449 178.020 175.510 0.102 0.000 1.030 482 N CA 1.376 54.417 53.050 -0.016 0.000 0.849 482 N CB -0.593 37.890 38.487 -0.008 0.000 1.012 482 N HN 0.312 nan 8.380 nan 0.000 0.423 483 A N -0.030 122.865 122.820 0.124 0.000 1.972 483 A HA 0.167 4.488 4.320 0.001 0.000 0.219 483 A C 1.592 179.355 177.584 0.299 0.000 1.169 483 A CA 1.506 53.651 52.037 0.180 0.000 0.635 483 A CB -0.882 18.163 19.000 0.075 0.000 0.810 483 A HN 0.402 nan 8.150 nan 0.000 0.446 484 G N -1.418 107.530 108.800 0.246 0.000 2.221 484 G HA2 -0.209 3.752 3.960 0.001 0.000 0.265 484 G HA3 -0.209 3.752 3.960 0.001 0.000 0.265 484 G C -0.164 174.844 174.900 0.180 0.000 1.041 484 G CA 0.484 45.758 45.100 0.290 0.000 0.807 484 G HN 0.537 nan 8.290 nan 0.000 0.502 485 Q N -1.270 118.605 119.800 0.125 0.000 2.309 485 Q HA 0.399 4.740 4.340 0.001 0.000 0.264 485 Q C -1.606 174.449 176.000 0.091 0.000 1.008 485 Q CA -2.127 53.725 55.803 0.082 0.000 0.853 485 Q CB 2.018 30.797 28.738 0.067 0.000 1.314 485 Q HN 0.115 nan 8.270 nan 0.000 0.448 486 P HA -0.127 nan 4.420 nan 0.000 0.218 486 P C 0.329 177.673 177.300 0.074 0.000 1.149 486 P CA 1.097 64.235 63.100 0.063 0.000 0.817 486 P CB 0.411 32.137 31.700 0.044 0.000 0.785 487 N N -1.064 117.690 118.700 0.090 0.000 2.348 487 N HA -0.107 4.634 4.740 0.001 0.000 0.185 487 N C 1.398 176.996 175.510 0.147 0.000 1.019 487 N CA 1.151 54.270 53.050 0.115 0.000 0.880 487 N CB -1.137 37.442 38.487 0.153 0.000 0.965 487 N HN 0.102 nan 8.380 nan 0.000 0.437 488 S N 0.047 115.857 115.700 0.182 0.000 2.527 488 S HA 0.217 4.688 4.470 0.001 0.000 0.222 488 S C 1.729 176.372 174.600 0.072 0.000 0.985 488 S CA -0.138 58.186 58.200 0.207 0.000 0.921 488 S CB -0.025 63.343 63.200 0.279 0.000 0.772 488 S HN 0.267 nan 8.310 nan 0.000 0.529 489 I N 1.724 122.329 120.570 0.058 0.000 2.208 489 I HA -0.254 3.916 4.170 0.001 0.000 0.245 489 I C 2.256 178.384 176.117 0.020 0.000 1.097 489 I CA 1.277 62.602 61.300 0.041 0.000 1.363 489 I CB -0.159 37.864 38.000 0.039 0.000 1.051 489 I HN 0.225 nan 8.210 nan 0.000 0.413 490 K N 0.331 120.728 120.400 -0.005 0.000 2.148 490 K HA -0.135 4.186 4.320 0.001 0.000 0.204 490 K C 2.074 178.655 176.600 -0.032 0.000 1.050 490 K CA 0.900 57.174 56.287 -0.021 0.000 0.942 490 K CB 0.004 32.484 32.500 -0.033 0.000 0.724 490 K HN 0.176 nan 8.250 nan 0.000 0.446 491 K N 0.838 121.199 120.400 -0.066 0.000 2.116 491 K HA 0.002 4.323 4.320 0.001 0.000 0.203 491 K C 2.074 178.743 176.600 0.115 0.000 1.052 491 K CA 0.954 57.219 56.287 -0.036 0.000 0.952 491 K CB -0.145 32.235 32.500 -0.200 0.000 0.729 491 K HN 0.175 nan 8.250 nan 0.000 0.446 492 I N 1.443 122.073 120.570 0.099 0.000 2.315 492 I HA -0.251 3.919 4.170 0.001 0.000 0.248 492 I C 2.357 178.576 176.117 0.170 0.000 1.117 492 I CA 1.081 62.474 61.300 0.156 0.000 1.404 492 I CB -0.221 37.824 38.000 0.075 0.000 1.071 492 I HN 0.193 nan 8.210 nan 0.000 0.419 493 Q N 0.430 120.275 119.800 0.075 0.000 2.291 493 Q HA -0.167 4.174 4.340 0.001 0.000 0.206 493 Q C 2.228 178.221 176.000 -0.012 0.000 0.976 493 Q CA 0.971 56.794 55.803 0.034 0.000 0.875 493 Q CB -0.047 28.696 28.738 0.009 0.000 0.927 493 Q HN 0.474 nan 8.270 nan 0.000 0.450 494 R N -0.473 119.983 120.500 -0.074 0.000 2.159 494 R HA -0.125 4.216 4.340 0.001 0.000 0.237 494 R C 1.191 177.246 176.300 -0.409 0.000 1.131 494 R CA 1.038 56.970 56.100 -0.280 0.000 0.982 494 R CB -0.090 29.928 30.300 -0.469 0.000 0.868 494 R HN 0.271 nan 8.270 nan 0.000 0.453 495 F N 0.346 120.229 119.950 -0.111 0.000 2.727 495 F HA 0.209 4.737 4.527 0.001 0.000 0.302 495 F C 0.913 176.661 175.800 -0.087 0.000 1.097 495 F CA -0.180 57.681 58.000 -0.231 0.000 1.330 495 F CB 0.157 38.927 39.000 -0.384 0.000 1.084 495 F HN -0.172 nan 8.300 nan 0.000 0.578 496 L N 2.097 123.372 121.223 0.086 0.000 2.439 496 L HA 0.318 4.658 4.340 0.001 0.000 0.259 496 L C -1.919 174.978 176.870 0.045 0.000 1.129 496 L CA -2.060 52.815 54.840 0.059 0.000 0.803 496 L CB 0.495 42.576 42.059 0.037 0.000 1.161 496 L HN -0.227 nan 8.230 nan 0.000 0.462 497 P HA 0.069 nan 4.420 nan 0.000 0.274 497 P C 0.283 177.580 177.300 -0.004 0.000 1.237 497 P CA 0.037 63.145 63.100 0.013 0.000 0.793 497 P CB 0.834 32.536 31.700 0.004 0.000 0.977 498 G N 1.873 110.662 108.800 -0.018 0.000 2.341 498 G HA2 -0.243 3.717 3.960 0.001 0.000 0.292 498 G HA3 -0.243 3.717 3.960 0.001 0.000 0.292 498 G C 0.739 175.625 174.900 -0.024 0.000 1.021 498 G CA 0.055 45.139 45.100 -0.027 0.000 0.905 498 G HN 0.496 nan 8.290 nan 0.000 0.508 499 Q N -0.870 118.916 119.800 -0.024 0.000 2.360 499 Q HA 0.353 4.694 4.340 0.001 0.000 0.202 499 Q C 1.480 177.461 176.000 -0.032 0.000 0.915 499 Q CA 1.187 56.976 55.803 -0.024 0.000 0.943 499 Q CB 0.802 29.526 28.738 -0.023 0.000 1.064 499 Q HN 0.988 nan 8.270 nan 0.000 0.511 500 G N -0.454 108.322 108.800 -0.039 0.000 2.694 500 G HA2 0.202 4.162 3.960 0.001 0.000 0.246 500 G HA3 0.202 4.162 3.960 0.001 0.000 0.246 500 G C -0.540 174.332 174.900 -0.046 0.000 1.205 500 G CA -0.631 44.444 45.100 -0.042 0.000 0.891 500 G HN -0.080 nan 8.290 nan 0.000 0.515 501 K N 0.606 120.975 120.400 -0.051 0.000 2.589 501 K HA 0.379 4.699 4.320 0.001 0.000 0.192 501 K C 0.614 177.173 176.600 -0.069 0.000 1.029 501 K CA 1.047 57.303 56.287 -0.053 0.000 1.031 501 K CB -0.011 32.460 32.500 -0.049 0.000 0.821 501 K HN 1.072 nan 8.250 nan 0.000 0.502 502 S N 0.015 115.669 115.700 -0.077 0.000 2.966 502 S HA -0.160 4.311 4.470 0.001 0.000 0.857 502 S C -0.945 173.566 174.600 -0.147 0.000 0.947 502 S CA -0.427 57.714 58.200 -0.098 0.000 1.385 502 S CB -0.540 62.606 63.200 -0.089 0.000 0.990 502 S HN 0.225 nan 8.310 nan 0.000 0.243 503 L N 4.673 125.783 121.223 -0.189 0.000 2.556 503 L HA 0.516 4.856 4.340 0.001 0.000 0.243 503 L C -0.330 176.317 176.870 -0.371 0.000 1.331 503 L CA -0.194 54.460 54.840 -0.310 0.000 0.927 503 L CB 0.907 42.782 42.059 -0.307 0.000 1.219 503 L HN 0.715 nan 8.230 nan 0.000 0.490 504 D N 2.743 122.947 120.400 -0.327 0.000 2.419 504 D HA -0.016 4.625 4.640 0.001 0.000 0.281 504 D C 0.949 177.003 176.300 -0.411 0.000 1.398 504 D CA 0.699 54.528 54.000 -0.285 0.000 1.047 504 D CB 0.512 41.194 40.800 -0.197 0.000 1.115 504 D HN 0.748 nan 8.370 nan 0.000 0.540 505 E N 1.454 121.385 120.200 -0.449 0.000 2.702 505 E HA 0.021 4.371 4.350 0.001 0.000 0.225 505 E C -0.592 175.607 176.600 -0.669 0.000 0.942 505 E CA -0.434 55.620 56.400 -0.576 0.000 1.210 505 E CB 0.222 29.501 29.700 -0.702 0.000 1.143 505 E HN 0.162 nan 8.360 nan 0.000 0.544 506 Y N 1.889 122.178 120.300 -0.018 0.000 2.462 506 Y HA 0.388 4.939 4.550 0.001 0.000 0.346 506 Y C 0.539 176.456 175.900 0.029 0.000 0.976 506 Y CA -1.557 56.570 58.100 0.046 0.000 1.044 506 Y CB 1.924 40.447 38.460 0.106 0.000 1.230 506 Y HN 0.056 nan 8.280 nan 0.000 0.455 507 S N -0.344 115.477 115.700 0.202 0.000 2.596 507 S HA 0.037 4.508 4.470 0.001 0.000 0.260 507 S C 0.989 175.646 174.600 0.094 0.000 1.336 507 S CA 0.002 58.269 58.200 0.111 0.000 0.993 507 S CB 0.749 64.004 63.200 0.091 0.000 0.923 507 S HN 0.726 nan 8.310 nan 0.000 0.567 508 T N 1.103 115.691 114.554 0.056 0.000 2.759 508 T HA -0.114 4.237 4.350 0.001 0.000 0.269 508 T C 1.992 176.710 174.700 0.030 0.000 1.042 508 T CA 1.215 63.337 62.100 0.037 0.000 1.140 508 T CB -0.330 68.552 68.868 0.023 0.000 0.864 508 T HN 0.528 nan 8.240 nan 0.000 0.455 509 R N 0.859 121.379 120.500 0.032 0.000 2.081 509 R HA -0.053 4.287 4.340 0.001 0.000 0.235 509 R C 2.338 178.634 176.300 -0.007 0.000 1.131 509 R CA 1.129 57.238 56.100 0.015 0.000 0.960 509 R CB -0.886 29.429 30.300 0.025 0.000 0.856 509 R HN 0.323 nan 8.270 nan 0.000 0.436 510 V N 1.548 121.471 119.914 0.015 0.000 2.358 510 V HA -0.240 3.881 4.120 0.001 0.000 0.246 510 V C 2.541 178.617 176.094 -0.030 0.000 1.047 510 V CA 1.734 64.019 62.300 -0.025 0.000 1.035 510 V CB -0.443 31.400 31.823 0.033 0.000 0.658 510 V HN 0.405 nan 8.190 nan 0.000 0.452 511 Q N -0.105 119.715 119.800 0.032 0.000 2.084 511 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 511 Q C 2.454 178.449 176.000 -0.008 0.000 0.978 511 Q CA 1.813 57.636 55.803 0.033 0.000 0.844 511 Q CB -0.439 28.332 28.738 0.055 0.000 0.898 511 Q HN 0.666 nan 8.270 nan 0.000 0.426 512 A N 1.173 123.982 122.820 -0.019 0.000 1.902 512 A HA -0.236 4.085 4.320 0.001 0.000 0.217 512 A C 1.921 179.463 177.584 -0.070 0.000 1.181 512 A CA 1.715 53.729 52.037 -0.039 0.000 0.623 512 A CB -0.410 18.571 19.000 -0.031 0.000 0.818 512 A HN 0.237 nan 8.150 nan 0.000 0.443 513 E N -0.303 119.840 120.200 -0.096 0.000 2.150 513 E HA 0.020 4.371 4.350 0.001 0.000 0.193 513 E C 2.095 178.610 176.600 -0.142 0.000 0.985 513 E CA 1.132 57.440 56.400 -0.153 0.000 0.814 513 E CB -0.333 29.247 29.700 -0.201 0.000 0.752 513 E HN 0.545 nan 8.360 nan 0.000 0.466 514 A N 0.046 122.801 122.820 -0.109 0.000 1.930 514 A HA -0.116 4.205 4.320 0.001 0.000 0.217 514 A C 2.148 179.709 177.584 -0.040 0.000 1.175 514 A CA 1.047 53.040 52.037 -0.074 0.000 0.627 514 A CB -0.467 18.530 19.000 -0.005 0.000 0.815 514 A HN 0.258 nan 8.150 nan 0.000 0.443 515 I N -0.711 119.837 120.570 -0.036 0.000 2.286 515 I HA -0.214 3.957 4.170 0.001 0.000 0.245 515 I C 2.363 178.456 176.117 -0.039 0.000 1.104 515 I CA 0.901 62.187 61.300 -0.023 0.000 1.397 515 I CB -0.211 37.775 38.000 -0.022 0.000 1.072 515 I HN 0.214 nan 8.210 nan 0.000 0.417 516 M N 0.247 119.803 119.600 -0.072 0.000 2.296 516 M HA -0.065 4.416 4.480 0.001 0.000 0.265 516 M C 2.490 178.736 176.300 -0.090 0.000 1.064 516 M CA 1.322 56.566 55.300 -0.092 0.000 1.109 516 M CB -1.439 31.068 32.600 -0.155 0.000 1.396 516 M HN 0.266 nan 8.290 nan 0.000 0.430 517 A N 0.111 122.876 122.820 -0.091 0.000 2.125 517 A HA -0.069 4.252 4.320 0.001 0.000 0.219 517 A C 2.173 179.746 177.584 -0.018 0.000 1.156 517 A CA 0.956 52.950 52.037 -0.071 0.000 0.671 517 A CB -0.864 18.090 19.000 -0.076 0.000 0.794 517 A HN 0.509 nan 8.150 nan 0.000 0.459 518 L N -1.535 119.685 121.223 -0.004 0.000 2.492 518 L HA -0.019 4.322 4.340 0.001 0.000 0.223 518 L C 2.520 179.412 176.870 0.037 0.000 1.132 518 L CA 0.246 55.101 54.840 0.025 0.000 0.850 518 L CB -0.370 41.706 42.059 0.029 0.000 0.966 518 L HN 0.351 nan 8.230 nan 0.000 0.454 519 R N 0.346 120.860 120.500 0.022 0.000 2.070 519 R HA -0.124 4.217 4.340 0.001 0.000 0.233 519 R C 1.947 178.285 176.300 0.063 0.000 1.137 519 R CA 1.542 57.665 56.100 0.038 0.000 0.945 519 R CB -0.292 30.021 30.300 0.021 0.000 0.845 519 R HN 0.360 nan 8.270 nan 0.000 0.430 520 N N 0.636 119.375 118.700 0.065 0.000 2.331 520 N HA -0.051 4.689 4.740 0.001 0.000 0.180 520 N C 1.766 177.398 175.510 0.204 0.000 1.019 520 N CA 0.891 54.026 53.050 0.142 0.000 0.881 520 N CB -0.002 38.551 38.487 0.111 0.000 0.972 520 N HN 0.255 nan 8.380 nan 0.000 0.435 521 I N 0.873 121.526 120.570 0.139 0.000 2.361 521 I HA -0.195 3.976 4.170 0.001 0.000 0.251 521 I C 2.017 178.191 176.117 0.095 0.000 1.133 521 I CA 0.741 62.111 61.300 0.118 0.000 1.413 521 I CB -0.251 37.800 38.000 0.086 0.000 1.073 521 I HN 0.045 nan 8.210 nan 0.000 0.424 522 A N 0.529 123.399 122.820 0.084 0.000 2.168 522 A HA -0.112 4.209 4.320 0.001 0.000 0.215 522 A C 2.163 179.785 177.584 0.064 0.000 1.152 522 A CA 0.855 52.929 52.037 0.061 0.000 0.716 522 A CB -0.320 18.710 19.000 0.050 0.000 0.794 522 A HN 0.321 nan 8.150 nan 0.000 0.465 523 K N -1.066 119.396 120.400 0.102 0.000 2.288 523 K HA -0.063 4.257 4.320 0.001 0.000 0.201 523 K C 2.081 178.729 176.600 0.081 0.000 1.048 523 K CA 1.154 57.507 56.287 0.109 0.000 0.956 523 K CB 0.028 32.643 32.500 0.192 0.000 0.746 523 K HN 0.256 nan 8.250 nan 0.000 0.461 524 R N 0.382 120.923 120.500 0.069 0.000 2.164 524 R HA 0.069 4.410 4.340 0.001 0.000 0.198 524 R C -0.219 176.096 176.300 0.024 0.000 1.028 524 R CA 0.831 56.952 56.100 0.035 0.000 1.083 524 R CB 0.660 30.971 30.300 0.018 0.000 1.026 524 R HN -0.110 nan 8.270 nan 0.000 0.514 525 D N 0.355 120.774 120.400 0.032 0.000 2.441 525 D HA 0.211 4.852 4.640 0.001 0.000 0.287 525 D C -2.015 174.299 176.300 0.022 0.000 1.198 525 D CA -1.920 52.094 54.000 0.023 0.000 0.894 525 D CB 1.504 42.320 40.800 0.027 0.000 1.070 525 D HN 0.041 nan 8.370 nan 0.000 0.499 526 P HA -0.125 nan 4.420 nan 0.000 0.219 526 P C 1.461 178.761 177.300 -0.000 0.000 1.150 526 P CA 0.287 63.387 63.100 -0.001 0.000 0.814 526 P CB 0.608 32.294 31.700 -0.024 0.000 0.787 527 R N 1.199 121.700 120.500 0.001 0.000 2.092 527 R HA -0.127 4.213 4.340 0.001 0.000 0.231 527 R C 2.076 178.390 176.300 0.023 0.000 1.119 527 R CA 1.605 57.711 56.100 0.009 0.000 0.970 527 R CB -0.657 29.646 30.300 0.005 0.000 0.864 527 R HN -0.054 nan 8.270 nan 0.000 0.440 528 K N 0.199 120.613 120.400 0.023 0.000 2.217 528 K HA 0.000 4.321 4.320 0.001 0.000 0.202 528 K C 1.907 178.529 176.600 0.037 0.000 1.051 528 K CA 1.000 57.304 56.287 0.028 0.000 0.952 528 K CB -0.202 32.314 32.500 0.026 0.000 0.736 528 K HN 0.036 nan 8.250 nan 0.000 0.453 529 V N 0.917 120.855 119.914 0.040 0.000 2.379 529 V HA -0.210 3.910 4.120 0.001 0.000 0.245 529 V C 2.191 178.327 176.094 0.070 0.000 1.044 529 V CA 1.769 64.099 62.300 0.050 0.000 1.036 529 V CB -0.463 31.389 31.823 0.048 0.000 0.664 529 V HN 0.381 nan 8.190 nan 0.000 0.453 530 Q N -0.121 119.726 119.800 0.078 0.000 2.096 530 Q HA -0.268 4.072 4.340 0.001 0.000 0.204 530 Q C 2.225 178.291 176.000 0.111 0.000 0.982 530 Q CA 1.989 57.881 55.803 0.148 0.000 0.850 530 Q CB -0.224 28.594 28.738 0.134 0.000 0.901 530 Q HN 0.682 nan 8.270 nan 0.000 0.422 531 E N 0.177 120.418 120.200 0.069 0.000 2.160 531 E HA -0.178 4.173 4.350 0.001 0.000 0.195 531 E C 1.793 178.416 176.600 0.038 0.000 0.991 531 E CA 0.846 57.275 56.400 0.047 0.000 0.810 531 E CB -0.015 29.706 29.700 0.034 0.000 0.742 531 E HN 0.411 nan 8.360 nan 0.000 0.466 532 I N 0.234 120.830 120.570 0.043 0.000 2.339 532 I HA -0.161 4.009 4.170 0.001 0.000 0.245 532 I C 2.347 178.486 176.117 0.036 0.000 1.096 532 I CA 0.613 61.934 61.300 0.035 0.000 1.408 532 I CB 0.045 38.067 38.000 0.036 0.000 1.092 532 I HN 0.051 nan 8.210 nan 0.000 0.423 533 V N -1.736 118.211 119.914 0.054 0.000 2.951 533 V HA -0.056 4.064 4.120 0.001 0.000 0.255 533 V C 2.209 178.315 176.094 0.020 0.000 1.088 533 V CA 0.648 62.979 62.300 0.051 0.000 1.109 533 V CB -0.436 31.437 31.823 0.083 0.000 0.724 533 V HN 0.272 nan 8.190 nan 0.000 0.471 534 L N 1.335 122.550 121.223 -0.013 0.000 2.056 534 L HA 0.148 4.489 4.340 0.001 0.000 0.207 534 L C -0.149 176.717 176.870 -0.007 0.000 1.078 534 L CA 2.137 56.911 54.840 -0.110 0.000 0.749 534 L CB -1.505 40.459 42.059 -0.158 0.000 0.901 534 L HN 0.276 nan 8.230 nan 0.000 0.433 535 P HA -0.066 nan 4.420 nan 0.000 0.221 535 P C 2.006 179.297 177.300 -0.016 0.000 1.150 535 P CA 1.344 64.439 63.100 -0.008 0.000 0.800 535 P CB 0.078 31.774 31.700 -0.007 0.000 0.787 536 I N -1.766 118.806 120.570 0.003 0.000 2.233 536 I HA -0.210 3.961 4.170 0.001 0.000 0.243 536 I C 2.193 178.297 176.117 -0.020 0.000 1.093 536 I CA 1.224 62.521 61.300 -0.006 0.000 1.380 536 I CB -0.582 37.426 38.000 0.013 0.000 1.067 536 I HN -0.101 nan 8.210 nan 0.000 0.413 537 F N 1.744 121.633 119.950 -0.102 0.000 2.161 537 F HA -0.183 4.344 4.527 0.001 0.000 0.300 537 F C 2.031 177.777 175.800 -0.090 0.000 1.089 537 F CA 1.633 59.568 58.000 -0.108 0.000 1.282 537 F CB -0.236 38.653 39.000 -0.186 0.000 1.010 537 F HN -0.097 nan 8.300 nan 0.000 0.485 538 L N 0.170 121.192 121.223 -0.335 0.000 2.478 538 L HA -0.064 4.277 4.340 0.001 0.000 0.223 538 L C 0.487 177.191 176.870 -0.277 0.000 1.140 538 L CA 0.213 54.846 54.840 -0.344 0.000 0.842 538 L CB -0.786 41.234 42.059 -0.064 0.000 0.953 538 L HN 0.105 nan 8.230 nan 0.000 0.452 539 N N 0.597 119.162 118.700 -0.225 0.000 2.415 539 N HA 0.023 4.764 4.740 0.001 0.000 0.246 539 N C 0.948 176.357 175.510 -0.169 0.000 1.078 539 N CA -0.028 52.931 53.050 -0.152 0.000 0.942 539 N CB 1.660 40.088 38.487 -0.100 0.000 1.140 539 N HN -0.001 nan 8.380 nan 0.000 0.501 540 V N 2.316 122.141 119.914 -0.149 0.000 3.141 540 V HA 0.051 4.172 4.120 0.001 0.000 0.265 540 V C 1.631 177.670 176.094 -0.091 0.000 1.126 540 V CA 1.611 63.832 62.300 -0.132 0.000 1.141 540 V CB -0.818 30.940 31.823 -0.109 0.000 0.743 540 V HN 0.542 nan 8.190 nan 0.000 0.492 541 A N 0.188 122.961 122.820 -0.079 0.000 2.169 541 A HA 0.390 4.711 4.320 0.001 0.000 0.212 541 A C 1.123 178.673 177.584 -0.056 0.000 1.153 541 A CA 0.199 52.201 52.037 -0.059 0.000 0.756 541 A CB -0.416 18.553 19.000 -0.052 0.000 0.813 541 A HN 0.595 nan 8.150 nan 0.000 0.471 542 I N 0.957 121.486 120.570 -0.068 0.000 2.519 542 I HA 0.103 4.274 4.170 0.001 0.000 0.287 542 I C -0.142 175.944 176.117 -0.051 0.000 1.047 542 I CA -0.693 60.574 61.300 -0.056 0.000 1.381 542 I CB 1.002 38.966 38.000 -0.060 0.000 1.417 542 I HN 0.099 nan 8.210 nan 0.000 0.540 543 K N 3.572 123.951 120.400 -0.035 0.000 2.518 543 K HA -0.003 4.318 4.320 0.001 0.000 0.276 543 K C 1.103 177.682 176.600 -0.034 0.000 0.974 543 K CA 0.082 56.352 56.287 -0.027 0.000 0.986 543 K CB 0.144 32.634 32.500 -0.017 0.000 0.901 543 K HN 0.503 nan 8.250 nan 0.000 0.497 544 S N 1.396 117.079 115.700 -0.027 0.000 2.365 544 S HA -0.260 4.211 4.470 0.001 0.000 0.225 544 S C 1.735 176.306 174.600 -0.049 0.000 1.039 544 S CA 1.651 59.835 58.200 -0.026 0.000 1.033 544 S CB -0.243 62.955 63.200 -0.005 0.000 0.887 544 S HN 0.795 nan 8.310 nan 0.000 0.447 545 E N 0.982 121.155 120.200 -0.045 0.000 2.085 545 E HA -0.163 4.188 4.350 0.001 0.000 0.194 545 E C 1.966 178.517 176.600 -0.082 0.000 0.994 545 E CA 1.029 57.388 56.400 -0.069 0.000 0.801 545 E CB -0.171 29.504 29.700 -0.041 0.000 0.743 545 E HN 0.464 nan 8.360 nan 0.000 0.453 546 L N -0.032 121.160 121.223 -0.052 0.000 2.109 546 L HA -0.104 4.237 4.340 0.001 0.000 0.207 546 L C 2.793 179.641 176.870 -0.037 0.000 1.086 546 L CA 0.945 55.760 54.840 -0.042 0.000 0.760 546 L CB -0.362 41.682 42.059 -0.024 0.000 0.910 546 L HN 0.085 nan 8.230 nan 0.000 0.437 547 R N 0.196 120.675 120.500 -0.035 0.000 2.075 547 R HA -0.095 4.246 4.340 0.001 0.000 0.232 547 R C 2.292 178.621 176.300 0.049 0.000 1.126 547 R CA 1.230 57.336 56.100 0.011 0.000 0.963 547 R CB -0.294 29.980 30.300 -0.044 0.000 0.858 547 R HN 0.310 nan 8.270 nan 0.000 0.435 548 I N 0.444 120.961 120.570 -0.089 0.000 2.226 548 I HA -0.276 3.894 4.170 0.001 0.000 0.245 548 I C 2.416 178.336 176.117 -0.328 0.000 1.100 548 I CA 1.354 62.462 61.300 -0.320 0.000 1.374 548 I CB -0.214 37.429 38.000 -0.595 0.000 1.057 548 I HN 0.156 nan 8.210 nan 0.000 0.413 549 R N 0.251 120.619 120.500 -0.219 0.000 2.081 549 R HA -0.117 4.224 4.340 0.001 0.000 0.235 549 R C 2.481 178.737 176.300 -0.073 0.000 1.131 549 R CA 1.664 57.660 56.100 -0.174 0.000 0.960 549 R CB -0.329 29.902 30.300 -0.115 0.000 0.856 549 R HN 0.249 nan 8.270 nan 0.000 0.436 550 S N 0.229 115.924 115.700 -0.009 0.000 2.400 550 S HA -0.214 4.256 4.470 0.001 0.000 0.232 550 S C 2.095 176.750 174.600 0.092 0.000 1.025 550 S CA 1.271 59.503 58.200 0.052 0.000 0.993 550 S CB -0.394 62.854 63.200 0.080 0.000 0.808 550 S HN 0.523 nan 8.310 nan 0.000 0.478 551 C N 1.410 120.776 119.300 0.111 0.000 2.440 551 C HA 0.079 4.540 4.460 0.001 0.000 0.278 551 C C 2.344 177.536 174.990 0.337 0.000 1.295 551 C CA 0.168 59.307 59.018 0.202 0.000 1.738 551 C CB -1.440 26.483 27.740 0.305 0.000 1.987 551 C HN 0.580 nan 8.230 nan 0.000 0.492 552 I N 0.558 121.200 120.570 0.120 0.000 2.252 552 I HA -0.142 4.028 4.170 0.001 0.000 0.245 552 I C 2.522 178.699 176.117 0.099 0.000 1.102 552 I CA 1.496 62.793 61.300 -0.005 0.000 1.385 552 I CB -0.371 37.397 38.000 -0.386 0.000 1.064 552 I HN 0.183 nan 8.210 nan 0.000 0.414 553 V N 0.580 120.541 119.914 0.078 0.000 2.358 553 V HA -0.300 3.821 4.120 0.001 0.000 0.246 553 V C 2.272 178.439 176.094 0.121 0.000 1.047 553 V CA 1.878 64.231 62.300 0.088 0.000 1.035 553 V CB -0.737 31.123 31.823 0.061 0.000 0.658 553 V HN 0.365 nan 8.190 nan 0.000 0.452 554 F N 0.615 120.538 119.950 -0.045 0.000 2.095 554 F HA -0.211 4.317 4.527 0.001 0.000 0.298 554 F C 2.029 177.717 175.800 -0.187 0.000 1.104 554 F CA 1.751 59.648 58.000 -0.171 0.000 1.232 554 F CB -0.497 38.303 39.000 -0.333 0.000 0.987 554 F HN 0.135 nan 8.300 nan 0.000 0.475 555 F N 0.755 120.701 119.950 -0.006 0.000 2.206 555 F HA -0.077 4.451 4.527 0.001 0.000 0.298 555 F C 2.470 178.239 175.800 -0.052 0.000 1.090 555 F CA 1.567 59.500 58.000 -0.111 0.000 1.323 555 F CB -0.800 38.225 39.000 0.041 0.000 1.028 555 F HN 0.022 nan 8.300 nan 0.000 0.492 556 E N -0.317 120.000 120.200 0.195 0.000 2.268 556 E HA -0.148 4.203 4.350 0.001 0.000 0.195 556 E C 2.013 178.657 176.600 0.074 0.000 0.995 556 E CA 1.080 57.590 56.400 0.184 0.000 0.836 556 E CB -0.104 29.708 29.700 0.187 0.000 0.763 556 E HN 0.331 nan 8.360 nan 0.000 0.491 557 S N 0.377 116.060 115.700 -0.029 0.000 2.603 557 S HA 0.007 4.478 4.470 0.001 0.000 0.220 557 S C 0.280 174.803 174.600 -0.129 0.000 0.967 557 S CA -0.080 58.077 58.200 -0.072 0.000 0.920 557 S CB -0.125 63.017 63.200 -0.096 0.000 0.773 557 S HN 0.118 nan 8.310 nan 0.000 0.529 558 K N 1.192 121.508 120.400 -0.140 0.000 3.585 558 K HA -0.080 4.241 4.320 0.001 0.000 0.275 558 K C -2.691 173.775 176.600 -0.222 0.000 1.026 558 K CA 0.500 56.706 56.287 -0.135 0.000 0.800 558 K CB -1.771 30.672 32.500 -0.095 0.000 1.401 558 K HN 0.481 nan 8.250 nan 0.000 0.453 559 P HA -0.012 nan 4.420 nan 0.000 0.272 559 P C 0.262 177.431 177.300 -0.218 0.000 1.230 559 P CA -0.162 62.661 63.100 -0.462 0.000 0.788 559 P CB 0.864 31.879 31.700 -1.142 0.000 0.949 560 S N 0.238 115.862 115.700 -0.127 0.000 2.600 560 S HA 0.065 4.536 4.470 0.001 0.000 0.265 560 S C 1.619 176.209 174.600 -0.015 0.000 1.325 560 S CA -0.090 58.079 58.200 -0.052 0.000 1.002 560 S CB -0.036 63.149 63.200 -0.024 0.000 0.921 560 S HN 0.399 nan 8.310 nan 0.000 0.554 561 V N -0.112 119.804 119.914 0.004 0.000 2.317 561 V HA -0.154 3.967 4.120 0.001 0.000 0.251 561 V C 2.704 178.826 176.094 0.045 0.000 1.065 561 V CA 2.160 64.477 62.300 0.028 0.000 1.049 561 V CB -2.201 29.636 31.823 0.022 0.000 0.651 561 V HN 1.046 nan 8.190 nan 0.000 0.450 562 A N 0.644 123.487 122.820 0.037 0.000 1.873 562 A HA -0.004 4.317 4.320 0.001 0.000 0.215 562 A C 2.296 179.921 177.584 0.068 0.000 1.186 562 A CA 2.064 54.128 52.037 0.046 0.000 0.616 562 A CB -0.648 18.372 19.000 0.034 0.000 0.823 562 A HN 0.572 nan 8.150 nan 0.000 0.442 563 L N -0.403 120.871 121.223 0.085 0.000 2.046 563 L HA -0.159 4.181 4.340 0.001 0.000 0.208 563 L C 2.496 179.496 176.870 0.217 0.000 1.077 563 L CA 1.217 56.154 54.840 0.163 0.000 0.747 563 L CB -0.638 41.561 42.059 0.233 0.000 0.896 563 L HN 0.253 nan 8.230 nan 0.000 0.432 564 V N -0.939 119.084 119.914 0.182 0.000 2.515 564 V HA -0.219 3.901 4.120 0.001 0.000 0.250 564 V C 2.520 178.711 176.094 0.162 0.000 1.058 564 V CA 1.730 64.156 62.300 0.210 0.000 1.064 564 V CB -0.177 31.768 31.823 0.202 0.000 0.675 564 V HN 0.371 nan 8.190 nan 0.000 0.461 565 S N -0.472 115.297 115.700 0.115 0.000 2.368 565 S HA -0.182 4.289 4.470 0.001 0.000 0.224 565 S C 1.923 176.577 174.600 0.089 0.000 1.029 565 S CA 1.771 60.028 58.200 0.096 0.000 0.988 565 S CB -0.365 62.878 63.200 0.072 0.000 0.838 565 S HN 0.560 nan 8.310 nan 0.000 0.462 566 M N 1.391 121.036 119.600 0.075 0.000 2.106 566 M HA -0.156 4.324 4.480 0.001 0.000 0.259 566 M C 1.872 178.221 176.300 0.080 0.000 1.068 566 M CA 1.603 56.941 55.300 0.063 0.000 1.100 566 M CB -0.336 32.290 32.600 0.043 0.000 1.351 566 M HN 0.168 nan 8.290 nan 0.000 0.404 567 V N 0.384 120.332 119.914 0.057 0.000 2.427 567 V HA -0.218 3.903 4.120 0.001 0.000 0.248 567 V C 2.572 178.767 176.094 0.169 0.000 1.051 567 V CA 1.838 64.181 62.300 0.070 0.000 1.048 567 V CB -1.204 30.516 31.823 -0.171 0.000 0.666 567 V HN 0.648 nan 8.190 nan 0.000 0.456 568 A N -0.472 122.439 122.820 0.152 0.000 1.929 568 A HA -0.091 4.230 4.320 0.001 0.000 0.216 568 A C 2.361 180.032 177.584 0.144 0.000 1.176 568 A CA 1.589 53.729 52.037 0.171 0.000 0.628 568 A CB -0.490 18.604 19.000 0.157 0.000 0.816 568 A HN 0.313 nan 8.150 nan 0.000 0.444 569 V N 0.402 120.385 119.914 0.114 0.000 2.295 569 V HA -0.234 3.887 4.120 0.001 0.000 0.246 569 V C 2.651 178.797 176.094 0.088 0.000 1.049 569 V CA 1.939 64.292 62.300 0.087 0.000 1.024 569 V CB -0.776 31.087 31.823 0.066 0.000 0.648 569 V HN 0.442 nan 8.190 nan 0.000 0.447 570 R N -0.464 120.100 120.500 0.108 0.000 2.170 570 R HA -0.124 4.217 4.340 0.001 0.000 0.242 570 R C 1.998 178.364 176.300 0.110 0.000 1.145 570 R CA 1.097 57.257 56.100 0.101 0.000 0.984 570 R CB -0.997 29.378 30.300 0.125 0.000 0.869 570 R HN 0.363 nan 8.270 nan 0.000 0.455 571 L N 1.695 123.013 121.223 0.159 0.000 2.291 571 L HA -0.075 4.265 4.340 0.001 0.000 0.214 571 L C 2.524 179.440 176.870 0.077 0.000 1.120 571 L CA 1.270 56.199 54.840 0.148 0.000 0.799 571 L CB -0.411 41.772 42.059 0.205 0.000 0.925 571 L HN 0.163 nan 8.230 nan 0.000 0.446 572 R N -0.394 120.142 120.500 0.061 0.000 2.152 572 R HA -0.124 4.217 4.340 0.001 0.000 0.232 572 R C 1.164 177.470 176.300 0.009 0.000 1.117 572 R CA 1.358 57.473 56.100 0.026 0.000 0.981 572 R CB -0.411 29.905 30.300 0.027 0.000 0.870 572 R HN 0.290 nan 8.270 nan 0.000 0.451 573 R N 0.835 121.343 120.500 0.014 0.000 2.577 573 R HA 0.140 4.480 4.340 0.001 0.000 0.344 573 R C -0.610 175.688 176.300 -0.004 0.000 1.037 573 R CA -0.373 55.728 56.100 0.001 0.000 1.102 573 R CB 0.617 30.917 30.300 -0.001 0.000 1.313 573 R HN 0.093 nan 8.270 nan 0.000 0.561 574 E N 3.070 123.274 120.200 0.006 0.000 2.351 574 E HA 0.017 4.367 4.350 0.001 0.000 0.266 574 E C -1.247 175.348 176.600 -0.009 0.000 1.031 574 E CA -1.621 54.776 56.400 -0.005 0.000 0.911 574 E CB 0.845 30.562 29.700 0.030 0.000 0.986 574 E HN -0.009 nan 8.360 nan 0.000 0.446 575 P HA -0.086 nan 4.420 nan 0.000 0.221 575 P C -0.164 177.136 177.300 0.001 0.000 1.155 575 P CA 0.386 63.479 63.100 -0.013 0.000 0.812 575 P CB 0.285 31.972 31.700 -0.022 0.000 0.801 576 N N 0.800 119.501 118.700 0.002 0.000 2.408 576 N HA 0.047 4.788 4.740 0.001 0.000 0.257 576 N C 0.874 176.423 175.510 0.066 0.000 1.064 576 N CA -0.222 52.845 53.050 0.029 0.000 0.952 576 N CB 0.995 39.488 38.487 0.011 0.000 1.093 576 N HN -0.169 nan 8.380 nan 0.000 0.490 577 L N 4.016 125.297 121.223 0.096 0.000 2.156 577 L HA -0.029 4.312 4.340 0.001 0.000 0.208 577 L C 2.168 179.167 176.870 0.215 0.000 1.095 577 L CA 1.381 56.290 54.840 0.115 0.000 0.770 577 L CB -0.233 41.894 42.059 0.115 0.000 0.914 577 L HN 0.579 nan 8.230 nan 0.000 0.439 578 Q N -0.738 119.214 119.800 0.252 0.000 2.061 578 Q HA -0.156 4.185 4.340 0.001 0.000 0.204 578 Q C 2.318 178.467 176.000 0.249 0.000 0.984 578 Q CA 1.942 57.907 55.803 0.271 0.000 0.846 578 Q CB -0.714 28.116 28.738 0.154 0.000 0.902 578 Q HN 0.420 nan 8.270 nan 0.000 0.421 579 V N 1.102 121.125 119.914 0.182 0.000 2.343 579 V HA -0.235 3.886 4.120 0.001 0.000 0.247 579 V C 2.379 178.651 176.094 0.296 0.000 1.051 579 V CA 1.716 64.143 62.300 0.212 0.000 1.036 579 V CB -1.091 30.796 31.823 0.108 0.000 0.654 579 V HN 0.323 nan 8.190 nan 0.000 0.451 580 A N 0.870 123.820 122.820 0.217 0.000 1.873 580 A HA -0.188 4.133 4.320 0.001 0.000 0.215 580 A C 2.564 180.284 177.584 0.227 0.000 1.186 580 A CA 2.168 54.327 52.037 0.204 0.000 0.616 580 A CB -0.795 18.262 19.000 0.096 0.000 0.823 580 A HN 0.670 nan 8.150 nan 0.000 0.442 581 S N -1.181 114.640 115.700 0.203 0.000 2.382 581 S HA -0.163 4.308 4.470 0.001 0.000 0.228 581 S C 1.838 176.591 174.600 0.254 0.000 1.027 581 S CA 1.386 59.705 58.200 0.199 0.000 0.991 581 S CB -0.729 62.584 63.200 0.188 0.000 0.823 581 S HN 0.492 nan 8.310 nan 0.000 0.469 582 F N 2.729 122.790 119.950 0.186 0.000 2.060 582 F HA -0.038 4.489 4.527 0.001 0.000 0.295 582 F C 2.324 178.215 175.800 0.151 0.000 1.120 582 F CA 1.623 59.725 58.000 0.170 0.000 1.205 582 F CB -0.526 38.571 39.000 0.162 0.000 0.986 582 F HN 0.054 nan 8.300 nan 0.000 0.470 583 V N -0.416 119.733 119.914 0.393 0.000 2.343 583 V HA -0.330 3.790 4.120 0.001 0.000 0.247 583 V C 2.050 178.205 176.094 0.101 0.000 1.051 583 V CA 2.171 64.634 62.300 0.272 0.000 1.036 583 V CB -1.258 30.794 31.823 0.382 0.000 0.654 583 V HN 0.525 nan 8.190 nan 0.000 0.451 584 Y N 2.013 122.342 120.300 0.049 0.000 2.242 584 Y HA -0.238 4.313 4.550 0.001 0.000 0.291 584 Y C 2.829 178.684 175.900 -0.074 0.000 1.137 584 Y CA 1.643 59.743 58.100 0.000 0.000 1.181 584 Y CB -0.269 38.202 38.460 0.018 0.000 0.989 584 Y HN 0.396 nan 8.280 nan 0.000 0.527 585 S N -0.946 114.692 115.700 -0.103 0.000 2.414 585 S HA -0.184 4.287 4.470 0.001 0.000 0.227 585 S C 1.932 176.340 174.600 -0.320 0.000 1.022 585 S CA 1.005 59.084 58.200 -0.200 0.000 0.958 585 S CB -0.481 62.658 63.200 -0.102 0.000 0.797 585 S HN 0.518 nan 8.310 nan 0.000 0.493 586 Q N 1.495 121.047 119.800 -0.413 0.000 2.079 586 Q HA 0.086 4.427 4.340 0.001 0.000 0.200 586 Q C 2.103 177.776 176.000 -0.545 0.000 0.974 586 Q CA 1.815 57.325 55.803 -0.489 0.000 0.840 586 Q CB -0.569 27.812 28.738 -0.595 0.000 0.898 586 Q HN 0.672 nan 8.270 nan 0.000 0.430 587 M N -0.564 118.713 119.600 -0.538 0.000 2.099 587 M HA -0.097 4.383 4.480 0.001 0.000 0.262 587 M C 2.084 178.163 176.300 -0.369 0.000 1.067 587 M CA 1.238 56.267 55.300 -0.452 0.000 1.124 587 M CB -0.191 32.243 32.600 -0.277 0.000 1.353 587 M HN 0.094 nan 8.290 nan 0.000 0.410 588 R N -0.160 120.069 120.500 -0.450 0.000 2.096 588 R HA -0.082 4.258 4.340 0.001 0.000 0.235 588 R C 2.407 178.560 176.300 -0.244 0.000 1.127 588 R CA 1.484 57.363 56.100 -0.368 0.000 0.968 588 R CB -1.158 28.877 30.300 -0.441 0.000 0.861 588 R HN 0.334 nan 8.270 nan 0.000 0.440 589 S N 0.600 116.153 115.700 -0.245 0.000 2.371 589 S HA 0.041 4.512 4.470 0.001 0.000 0.224 589 S C 2.006 176.509 174.600 -0.161 0.000 1.029 589 S CA 0.508 58.609 58.200 -0.166 0.000 0.978 589 S CB -0.002 63.109 63.200 -0.148 0.000 0.833 589 S HN 0.199 nan 8.310 nan 0.000 0.466 590 L N 1.727 122.797 121.223 -0.255 0.000 2.217 590 L HA -0.031 4.310 4.340 0.001 0.000 0.211 590 L C 2.635 179.389 176.870 -0.193 0.000 1.107 590 L CA 1.255 55.904 54.840 -0.318 0.000 0.783 590 L CB -0.516 41.318 42.059 -0.376 0.000 0.919 590 L HN 0.485 nan 8.230 nan 0.000 0.442 591 S N -0.624 114.980 115.700 -0.159 0.000 2.469 591 S HA -0.119 4.352 4.470 0.001 0.000 0.238 591 S C 1.839 176.398 174.600 -0.068 0.000 0.998 591 S CA 0.513 58.654 58.200 -0.099 0.000 0.957 591 S CB -0.213 62.929 63.200 -0.097 0.000 0.764 591 S HN 0.360 nan 8.310 nan 0.000 0.514 592 R N 1.679 122.138 120.500 -0.068 0.000 2.334 592 R HA 0.287 4.628 4.340 0.001 0.000 0.220 592 R C 0.732 177.029 176.300 -0.006 0.000 0.917 592 R CA 0.139 56.218 56.100 -0.035 0.000 1.073 592 R CB -0.393 29.885 30.300 -0.038 0.000 1.056 592 R HN 0.503 nan 8.270 nan 0.000 0.506 593 S N 1.337 117.034 115.700 -0.005 0.000 2.558 593 S HA -0.008 4.463 4.470 0.001 0.000 0.288 593 S C 0.956 175.595 174.600 0.065 0.000 1.318 593 S CA -0.082 58.152 58.200 0.058 0.000 1.056 593 S CB 0.611 63.837 63.200 0.044 0.000 0.853 593 S HN 0.362 nan 8.310 nan 0.000 0.505 594 S N 3.495 119.247 115.700 0.086 0.000 2.624 594 S HA 0.254 4.725 4.470 0.001 0.000 0.246 594 S C -0.144 174.516 174.600 0.101 0.000 1.072 594 S CA -0.869 57.376 58.200 0.074 0.000 1.045 594 S CB -0.360 62.880 63.200 0.065 0.000 0.851 594 S HN 0.708 nan 8.310 nan 0.000 0.480 595 N N 2.403 121.196 118.700 0.154 0.000 2.399 595 N HA 0.360 5.101 4.740 0.001 0.000 0.295 595 N C -1.927 173.565 175.510 -0.030 0.000 1.048 595 N CA -2.080 51.053 53.050 0.139 0.000 0.886 595 N CB 2.252 40.957 38.487 0.364 0.000 1.185 595 N HN -0.045 nan 8.380 nan 0.000 0.487 596 P HA -0.184 nan 4.420 nan 0.000 0.217 596 P C 0.889 178.027 177.300 -0.269 0.000 1.148 596 P CA 1.237 64.118 63.100 -0.365 0.000 0.828 596 P CB 0.421 31.741 31.700 -0.633 0.000 0.783 597 E N -0.565 119.455 120.200 -0.300 0.000 2.160 597 E HA -0.167 4.183 4.350 0.001 0.000 0.195 597 E C 0.819 177.065 176.600 -0.590 0.000 0.991 597 E CA 0.938 57.065 56.400 -0.455 0.000 0.810 597 E CB -0.361 28.980 29.700 -0.599 0.000 0.742 597 E HN 0.230 nan 8.360 nan 0.000 0.466 598 F N -0.275 119.638 119.950 -0.062 0.000 2.641 598 F HA 0.307 4.834 4.527 0.001 0.000 0.302 598 F C 1.921 177.672 175.800 -0.081 0.000 1.098 598 F CA -0.341 57.616 58.000 -0.072 0.000 1.318 598 F CB 0.144 39.092 39.000 -0.086 0.000 1.035 598 F HN -0.106 nan 8.300 nan 0.000 0.551 599 R N 0.748 121.252 120.500 0.006 0.000 2.080 599 R HA -0.160 4.181 4.340 0.001 0.000 0.236 599 R C 1.482 177.776 176.300 -0.011 0.000 1.137 599 R CA 2.146 58.240 56.100 -0.011 0.000 0.943 599 R CB -0.208 30.056 30.300 -0.061 0.000 0.846 599 R HN 0.154 nan 8.270 nan 0.000 0.431 600 D N -0.267 120.113 120.400 -0.034 0.000 2.117 600 D HA -0.142 4.498 4.640 0.001 0.000 0.197 600 D C 1.767 178.062 176.300 -0.008 0.000 0.987 600 D CA 0.904 54.886 54.000 -0.030 0.000 0.829 600 D CB -0.319 40.450 40.800 -0.052 0.000 0.961 600 D HN 0.085 nan 8.370 nan 0.000 0.460 601 V N 0.640 120.560 119.914 0.011 0.000 2.453 601 V HA -0.129 3.991 4.120 0.001 0.000 0.247 601 V C 2.127 178.248 176.094 0.046 0.000 1.048 601 V CA 1.925 64.251 62.300 0.043 0.000 1.049 601 V CB -0.381 31.497 31.823 0.092 0.000 0.672 601 V HN 0.174 nan 8.190 nan 0.000 0.457 602 A N -0.029 122.811 122.820 0.033 0.000 1.902 602 A HA -0.060 4.260 4.320 0.001 0.000 0.217 602 A C 2.411 179.994 177.584 -0.002 0.000 1.181 602 A CA 2.137 54.172 52.037 -0.003 0.000 0.623 602 A CB -0.966 18.035 19.000 0.001 0.000 0.818 602 A HN 0.804 nan 8.150 nan 0.000 0.443 603 A N -0.223 122.599 122.820 0.004 0.000 1.930 603 A HA 0.213 4.533 4.320 0.001 0.000 0.217 603 A C 2.480 180.072 177.584 0.013 0.000 1.175 603 A CA 1.871 53.909 52.037 0.003 0.000 0.627 603 A CB -0.948 18.051 19.000 -0.002 0.000 0.815 603 A HN 1.040 nan 8.150 nan 0.000 0.443 604 A N -0.859 121.974 122.820 0.022 0.000 1.908 604 A HA -0.206 4.115 4.320 0.001 0.000 0.218 604 A C 2.291 179.912 177.584 0.061 0.000 1.181 604 A CA 1.788 53.849 52.037 0.040 0.000 0.627 604 A CB -1.271 17.753 19.000 0.042 0.000 0.818 604 A HN 0.600 nan 8.150 nan 0.000 0.445 605 C N -0.853 118.482 119.300 0.058 0.000 2.440 605 C HA -0.023 4.438 4.460 0.001 0.000 0.278 605 C C 3.242 178.235 174.990 0.005 0.000 1.295 605 C CA 1.187 60.229 59.018 0.040 0.000 1.738 605 C CB -1.186 26.538 27.740 -0.026 0.000 1.987 605 C HN 0.619 nan 8.230 nan 0.000 0.492 606 S N 0.809 116.507 115.700 -0.003 0.000 2.383 606 S HA -0.120 4.350 4.470 0.001 0.000 0.227 606 S C 1.878 176.486 174.600 0.013 0.000 1.026 606 S CA 1.290 59.486 58.200 -0.006 0.000 0.981 606 S CB -0.281 62.914 63.200 -0.008 0.000 0.818 606 S HN 0.506 nan 8.310 nan 0.000 0.472 607 V N 1.956 121.884 119.914 0.023 0.000 2.358 607 V HA -0.164 3.957 4.120 0.001 0.000 0.246 607 V C 2.644 178.765 176.094 0.045 0.000 1.047 607 V CA 1.616 63.934 62.300 0.031 0.000 1.035 607 V CB -1.196 30.645 31.823 0.031 0.000 0.658 607 V HN 0.532 nan 8.190 nan 0.000 0.452 608 A N 1.078 123.933 122.820 0.058 0.000 1.877 608 A HA -0.178 4.143 4.320 0.001 0.000 0.216 608 A C 2.112 179.746 177.584 0.083 0.000 1.186 608 A CA 1.989 54.075 52.037 0.081 0.000 0.620 608 A CB -0.654 18.414 19.000 0.115 0.000 0.822 608 A HN 0.696 nan 8.150 nan 0.000 0.443 609 I N -3.825 116.780 120.570 0.059 0.000 3.083 609 I HA -0.093 4.078 4.170 0.001 0.000 0.273 609 I C 1.255 177.427 176.117 0.091 0.000 1.297 609 I CA 1.132 62.479 61.300 0.078 0.000 1.452 609 I CB -0.309 37.691 38.000 0.000 0.000 1.078 609 I HN -0.027 nan 8.210 nan 0.000 0.484 610 K N 1.435 121.874 120.400 0.064 0.000 2.365 610 K HA 0.095 4.416 4.320 0.001 0.000 0.199 610 K C 1.712 178.350 176.600 0.063 0.000 1.045 610 K CA 0.970 57.291 56.287 0.057 0.000 0.962 610 K CB -0.227 32.297 32.500 0.040 0.000 0.759 610 K HN 0.516 nan 8.250 nan 0.000 0.469 611 M N 0.891 120.535 119.600 0.075 0.000 2.659 611 M HA 0.000 4.481 4.480 0.001 0.000 0.243 611 M C -0.370 175.975 176.300 0.075 0.000 1.111 611 M CA 0.474 55.816 55.300 0.070 0.000 1.070 611 M CB -0.133 32.511 32.600 0.073 0.000 1.525 611 M HN -0.098 nan 8.290 nan 0.000 0.517 612 L N -3.839 117.440 121.223 0.094 0.000 2.630 612 L HA 0.824 5.165 4.340 0.001 0.000 0.258 612 L C 0.189 177.091 176.870 0.053 0.000 1.072 612 L CA -1.231 53.649 54.840 0.067 0.000 0.885 612 L CB -0.565 41.533 42.059 0.065 0.000 1.502 612 L HN -0.073 nan 8.230 nan 0.000 0.406 613 G N -0.531 108.262 108.800 -0.012 0.000 2.611 613 G HA2 0.423 4.384 3.960 0.001 0.000 0.273 613 G HA3 0.423 4.384 3.960 0.001 0.000 0.273 613 G C 0.378 175.221 174.900 -0.095 0.000 1.305 613 G CA 0.221 45.299 45.100 -0.036 0.000 1.010 613 G HN 1.046 nan 8.290 nan 0.000 0.509 614 S N -1.648 114.004 115.700 -0.080 0.000 2.575 614 S HA 0.072 4.543 4.470 0.001 0.000 0.237 614 S C 1.546 176.034 174.600 -0.186 0.000 0.975 614 S CA 0.259 58.404 58.200 -0.091 0.000 0.960 614 S CB 0.212 63.460 63.200 0.080 0.000 0.822 614 S HN 0.780 nan 8.310 nan 0.000 0.472 615 K N 1.453 121.721 120.400 -0.220 0.000 2.280 615 K HA 0.027 4.347 4.320 0.001 0.000 0.202 615 K C 1.497 177.967 176.600 -0.218 0.000 1.047 615 K CA 1.035 57.216 56.287 -0.176 0.000 0.942 615 K CB -0.708 31.710 32.500 -0.136 0.000 0.739 615 K HN 0.406 nan 8.250 nan 0.000 0.457 616 L N 1.350 122.347 121.223 -0.376 0.000 2.362 616 L HA -0.084 4.257 4.340 0.001 0.000 0.219 616 L C 1.377 178.193 176.870 -0.091 0.000 1.134 616 L CA 0.657 55.329 54.840 -0.279 0.000 0.807 616 L CB -0.333 41.508 42.059 -0.363 0.000 0.927 616 L HN 0.146 nan 8.230 nan 0.000 0.447 617 D N 0.222 120.614 120.400 -0.015 0.000 2.371 617 D HA -0.077 4.563 4.640 0.001 0.000 0.221 617 D C 2.076 178.393 176.300 0.029 0.000 0.986 617 D CA 0.658 54.720 54.000 0.103 0.000 0.899 617 D CB 0.136 41.036 40.800 0.167 0.000 0.902 617 D HN 0.250 nan 8.370 nan 0.000 0.530 618 R N -0.516 119.970 120.500 -0.024 0.000 2.276 618 R HA 0.165 4.506 4.340 0.001 0.000 0.196 618 R C 0.593 176.873 176.300 -0.033 0.000 0.961 618 R CA -0.061 56.023 56.100 -0.026 0.000 1.024 618 R CB 0.313 30.586 30.300 -0.044 0.000 0.940 618 R HN 0.125 nan 8.270 nan 0.000 0.480 619 L N 0.590 121.767 121.223 -0.077 0.000 2.456 619 L HA 0.091 4.432 4.340 0.001 0.000 0.272 619 L C 1.198 178.117 176.870 0.082 0.000 1.189 619 L CA -0.219 54.548 54.840 -0.121 0.000 0.846 619 L CB 0.545 42.387 42.059 -0.363 0.000 1.111 619 L HN 0.145 nan 8.230 nan 0.000 0.475 620 G N 0.291 109.220 108.800 0.216 0.000 2.695 620 G HA2 0.174 4.135 3.960 0.001 0.000 0.213 620 G HA3 0.174 4.135 3.960 0.001 0.000 0.213 620 G C 1.053 176.093 174.900 0.233 0.000 1.406 620 G CA 0.158 45.372 45.100 0.189 0.000 1.049 620 G HN 0.909 nan 8.290 nan 0.000 0.573 621 C N -0.797 118.589 119.300 0.143 0.000 2.422 621 C HA 0.178 4.638 4.460 0.001 0.000 0.286 621 C C 2.282 177.307 174.990 0.058 0.000 1.412 621 C CA 0.119 59.200 59.018 0.104 0.000 1.786 621 C CB -0.979 26.800 27.740 0.066 0.000 1.835 621 C HN 0.421 nan 8.230 nan 0.000 0.533 622 R N -0.406 120.097 120.500 0.004 0.000 2.307 622 R HA 0.195 4.535 4.340 0.001 0.000 0.199 622 R C -0.458 175.587 176.300 -0.425 0.000 1.000 622 R CA 0.403 56.364 56.100 -0.232 0.000 1.023 622 R CB -0.567 29.517 30.300 -0.359 0.000 0.908 622 R HN 0.680 nan 8.270 nan 0.000 0.473 623 Y N -0.078 120.263 120.300 0.067 0.000 2.387 623 Y HA 0.233 4.784 4.550 0.001 0.000 0.336 623 Y C 0.798 176.779 175.900 0.135 0.000 1.067 623 Y CA -0.644 57.511 58.100 0.091 0.000 1.114 623 Y CB 1.373 39.883 38.460 0.084 0.000 1.208 623 Y HN -0.197 nan 8.280 nan 0.000 0.458 624 S N 4.059 119.950 115.700 0.318 0.000 2.566 624 S HA 0.232 4.703 4.470 0.001 0.000 0.280 624 S C -0.271 174.558 174.600 0.382 0.000 1.343 624 S CA -0.299 58.116 58.200 0.360 0.000 1.036 624 S CB 0.188 63.628 63.200 0.401 0.000 0.866 624 S HN 0.393 nan 8.310 nan 0.000 0.526 625 K N 0.013 120.631 120.400 0.364 0.000 2.579 625 K HA 0.724 5.045 4.320 0.001 0.000 0.284 625 K C -1.269 175.319 176.600 -0.021 0.000 0.990 625 K CA -0.742 55.611 56.287 0.110 0.000 0.880 625 K CB 2.022 34.605 32.500 0.138 0.000 1.488 625 K HN 0.609 nan 8.250 nan 0.000 0.425 626 A N 0.662 123.332 122.820 -0.250 0.000 2.422 626 A HA 0.740 5.061 4.320 0.001 0.000 0.302 626 A C -1.377 176.137 177.584 -0.117 0.000 1.041 626 A CA -0.664 51.269 52.037 -0.173 0.000 0.708 626 A CB 1.608 20.349 19.000 -0.431 0.000 1.257 626 A HN 0.234 nan 8.150 nan 0.000 0.414 627 V N 2.260 122.125 119.914 -0.082 0.000 2.577 627 V HA 0.425 4.545 4.120 0.001 0.000 0.303 627 V C -0.993 175.030 176.094 -0.118 0.000 1.042 627 V CA -0.397 61.858 62.300 -0.076 0.000 0.872 627 V CB 1.856 33.662 31.823 -0.028 0.000 0.998 627 V HN 1.045 nan 8.190 nan 0.000 0.423 628 H N 3.789 122.734 119.070 -0.209 0.000 2.505 628 H HA 0.794 5.351 4.556 0.001 0.000 0.338 628 H C -0.850 174.355 175.328 -0.205 0.000 1.057 628 H CA -0.475 55.424 56.048 -0.248 0.000 1.202 628 H CB 1.819 31.397 29.762 -0.307 0.000 1.466 628 H HN 0.575 nan 8.280 nan 0.000 0.499 629 V N 2.609 122.167 119.914 -0.595 0.000 2.789 629 V HA 0.708 4.828 4.120 0.001 0.000 0.311 629 V C -1.134 174.676 176.094 -0.472 0.000 1.073 629 V CA -0.818 61.255 62.300 -0.379 0.000 0.921 629 V CB 1.802 33.495 31.823 -0.218 0.000 1.009 629 V HN 0.991 nan 8.190 nan 0.000 0.426 630 D N 0.752 121.003 120.400 -0.249 0.000 2.665 630 D HA 0.773 5.414 4.640 0.001 0.000 0.287 630 D C -0.773 175.527 176.300 -0.000 0.000 1.266 630 D CA -0.447 53.478 54.000 -0.126 0.000 0.830 630 D CB 1.902 42.668 40.800 -0.057 0.000 1.356 630 D HN 0.868 nan 8.370 nan 0.000 0.437 631 T N -0.709 113.892 114.554 0.079 0.000 3.047 631 T HA 0.538 4.888 4.350 0.001 0.000 0.340 631 T C -2.315 172.506 174.700 0.203 0.000 1.421 631 T CA -0.648 61.515 62.100 0.104 0.000 1.090 631 T CB 0.536 69.426 68.868 0.036 0.000 1.292 631 T HN 0.421 nan 8.240 nan 0.000 0.480 632 F N 4.373 124.342 119.950 0.032 0.000 2.581 632 F HA 0.636 5.164 4.527 0.001 0.000 0.311 632 F C -0.936 174.875 175.800 0.017 0.000 1.113 632 F CA -0.839 57.184 58.000 0.038 0.000 0.935 632 F CB 1.786 40.820 39.000 0.056 0.000 1.232 632 F HN 0.503 nan 8.300 nan 0.000 0.445 633 N N 3.841 122.237 118.700 -0.507 0.000 2.446 633 N HA 0.402 5.143 4.740 0.001 0.000 0.265 633 N C 0.237 175.540 175.510 -0.345 0.000 0.975 633 N CA 0.312 53.179 53.050 -0.305 0.000 0.928 633 N CB 2.039 40.360 38.487 -0.277 0.000 1.160 633 N HN 0.837 nan 8.380 nan 0.000 0.495 634 A N 4.639 127.440 122.820 -0.033 0.000 1.969 634 A HA -0.083 4.237 4.320 0.001 0.000 0.218 634 A C 2.041 179.627 177.584 0.004 0.000 1.169 634 A CA 1.047 53.137 52.037 0.088 0.000 0.635 634 A CB -0.079 18.991 19.000 0.118 0.000 0.810 634 A HN 0.775 nan 8.150 nan 0.000 0.445 635 R N -0.607 119.852 120.500 -0.068 0.000 2.073 635 R HA -0.080 4.261 4.340 0.001 0.000 0.229 635 R C 2.339 178.571 176.300 -0.114 0.000 1.120 635 R CA 1.814 57.863 56.100 -0.084 0.000 0.967 635 R CB -0.601 29.622 30.300 -0.128 0.000 0.862 635 R HN 0.717 nan 8.270 nan 0.000 0.436 636 T N -1.886 112.543 114.554 -0.208 0.000 3.067 636 T HA 0.037 4.388 4.350 0.001 0.000 0.261 636 T C 1.036 175.739 174.700 0.005 0.000 1.110 636 T CA 0.122 62.123 62.100 -0.165 0.000 1.113 636 T CB 0.174 68.888 68.868 -0.256 0.000 0.917 636 T HN 0.021 nan 8.240 nan 0.000 0.499 637 M N 0.440 119.949 119.600 -0.153 0.000 2.393 637 M HA -0.125 4.356 4.480 0.001 0.000 0.201 637 M C 0.106 176.238 176.300 -0.279 0.000 0.403 637 M CA 0.519 55.758 55.300 -0.102 0.000 0.471 637 M CB -2.719 29.993 32.600 0.187 0.000 1.669 637 M HN 0.734 nan 8.290 nan 0.000 0.864 638 A N -1.180 121.222 122.820 -0.696 0.000 2.469 638 A HA 1.007 5.328 4.320 0.001 0.000 0.299 638 A C 0.400 177.634 177.584 -0.582 0.000 1.098 638 A CA 0.163 51.975 52.037 -0.375 0.000 0.737 638 A CB 2.016 20.951 19.000 -0.109 0.000 1.312 638 A HN 0.972 nan 8.150 nan 0.000 0.414 639 G N -1.274 107.463 108.800 -0.105 0.000 2.554 639 G HA2 0.620 4.581 3.960 0.001 0.000 0.306 639 G HA3 0.620 4.581 3.960 0.001 0.000 0.306 639 G C -1.905 173.079 174.900 0.140 0.000 1.320 639 G CA -0.120 45.012 45.100 0.053 0.000 0.800 639 G HN 1.354 nan 8.290 nan 0.000 0.481 640 V N 0.019 120.023 119.914 0.151 0.000 3.049 640 V HA 0.843 4.964 4.120 0.001 0.000 0.309 640 V C -0.332 175.833 176.094 0.118 0.000 1.148 640 V CA -0.302 62.069 62.300 0.118 0.000 0.990 640 V CB 2.199 34.052 31.823 0.051 0.000 1.039 640 V HN 1.522 nan 8.190 nan 0.000 0.430 641 S N 1.612 117.370 115.700 0.095 0.000 2.564 641 S HA 0.983 5.454 4.470 0.001 0.000 0.274 641 S C -0.760 173.776 174.600 -0.106 0.000 1.124 641 S CA -0.316 57.864 58.200 -0.033 0.000 0.869 641 S CB 2.230 65.497 63.200 0.112 0.000 1.105 641 S HN 1.664 nan 8.310 nan 0.000 0.472 642 A N 1.288 123.940 122.820 -0.281 0.000 2.475 642 A HA 0.863 5.183 4.320 0.001 0.000 0.301 642 A C -1.603 175.813 177.584 -0.280 0.000 1.059 642 A CA -0.741 51.183 52.037 -0.189 0.000 0.710 642 A CB 1.403 20.322 19.000 -0.134 0.000 1.288 642 A HN 0.855 nan 8.150 nan 0.000 0.408 643 D N -0.729 119.551 120.400 -0.201 0.000 2.645 643 D HA 0.585 5.225 4.640 0.001 0.000 0.228 643 D C -1.542 174.539 176.300 -0.366 0.000 1.148 643 D CA 0.021 53.822 54.000 -0.332 0.000 0.860 643 D CB 2.011 42.560 40.800 -0.419 0.000 1.548 643 D HN 0.543 nan 8.370 nan 0.000 0.460 644 Y N 1.298 121.206 120.300 -0.654 0.000 2.441 644 Y HA 0.593 5.144 4.550 0.001 0.000 0.334 644 Y C -2.209 173.414 175.900 -0.461 0.000 1.061 644 Y CA -0.968 56.858 58.100 -0.457 0.000 1.032 644 Y CB 0.821 39.154 38.460 -0.211 0.000 1.266 644 Y HN 0.291 nan 8.280 nan 0.000 0.441 645 F N 5.290 124.960 119.950 -0.467 0.000 2.520 645 F HA 0.645 5.173 4.527 0.001 0.000 0.322 645 F C -0.400 175.147 175.800 -0.421 0.000 1.103 645 F CA -0.912 56.980 58.000 -0.179 0.000 0.926 645 F CB 2.138 41.222 39.000 0.140 0.000 1.154 645 F HN 0.490 nan 8.300 nan 0.000 0.453 646 R N 4.164 124.722 120.500 0.097 0.000 2.483 646 R HA 0.630 4.971 4.340 0.001 0.000 0.303 646 R C -1.809 174.612 176.300 0.202 0.000 0.987 646 R CA -0.370 55.765 56.100 0.060 0.000 0.881 646 R CB 0.969 31.333 30.300 0.106 0.000 1.177 646 R HN 0.785 nan 8.270 nan 0.000 0.451 647 I N 4.094 124.729 120.570 0.109 0.000 2.312 647 I HA 0.258 4.428 4.170 0.001 0.000 0.290 647 I C -0.242 175.912 176.117 0.062 0.000 1.008 647 I CA -0.717 60.621 61.300 0.063 0.000 1.226 647 I CB 1.655 39.636 38.000 -0.032 0.000 1.371 647 I HN 0.630 nan 8.210 nan 0.000 0.468 648 N N 3.156 121.897 118.700 0.068 0.000 2.477 648 N HA 0.479 5.220 4.740 0.001 0.000 0.284 648 N C -0.911 174.597 175.510 -0.003 0.000 1.182 648 N CA -0.424 52.640 53.050 0.024 0.000 0.949 648 N CB 1.586 40.067 38.487 -0.010 0.000 1.204 648 N HN 0.459 nan 8.380 nan 0.000 0.526 649 S N 0.231 115.915 115.700 -0.026 0.000 2.607 649 S HA 0.393 4.863 4.470 0.001 0.000 0.303 649 S C -1.913 172.634 174.600 -0.087 0.000 1.086 649 S CA -1.123 57.058 58.200 -0.031 0.000 0.995 649 S CB 1.949 65.155 63.200 0.010 0.000 1.084 649 S HN 0.448 nan 8.310 nan 0.000 0.507 650 P HA 0.086 nan 4.420 nan 0.000 0.225 650 P C 0.947 178.176 177.300 -0.119 0.000 1.156 650 P CA 0.584 63.627 63.100 -0.096 0.000 0.787 650 P CB 0.076 31.750 31.700 -0.043 0.000 0.802 651 S N -1.078 114.572 115.700 -0.084 0.000 2.469 651 S HA 0.168 4.638 4.470 0.001 0.000 0.238 651 S C 1.194 175.583 174.600 -0.352 0.000 0.998 651 S CA 1.205 59.354 58.200 -0.086 0.000 0.957 651 S CB -0.579 62.660 63.200 0.066 0.000 0.764 651 S HN 0.420 nan 8.310 nan 0.000 0.514 652 G N 0.197 108.718 108.800 -0.466 0.000 2.313 652 G HA2 0.322 4.283 3.960 0.001 0.000 0.296 652 G HA3 0.322 4.283 3.960 0.001 0.000 0.296 652 G C -2.840 171.757 174.900 -0.504 0.000 1.356 652 G CA -0.473 44.053 45.100 -0.958 0.000 0.833 652 G HN -0.109 nan 8.290 nan 0.000 0.552 653 P HA 0.148 nan 4.420 nan 0.000 0.231 653 P C 0.844 178.155 177.300 0.019 0.000 1.168 653 P CA 0.199 63.223 63.100 -0.127 0.000 0.779 653 P CB 0.434 32.088 31.700 -0.077 0.000 0.844 654 L N 1.919 123.239 121.223 0.162 0.000 2.410 654 L HA 0.327 4.667 4.340 0.001 0.000 0.273 654 L C -2.385 174.565 176.870 0.134 0.000 1.152 654 L CA -2.089 52.865 54.840 0.191 0.000 0.855 654 L CB -0.069 42.145 42.059 0.259 0.000 1.129 654 L HN -0.177 nan 8.230 nan 0.000 0.463 655 P HA 0.133 nan 4.420 nan 0.000 0.271 655 P C -0.358 176.989 177.300 0.077 0.000 1.218 655 P CA -0.295 62.850 63.100 0.076 0.000 0.780 655 P CB 0.668 32.414 31.700 0.076 0.000 0.901 656 R N 2.956 123.493 120.500 0.061 0.000 2.090 656 R HA 0.172 4.513 4.340 0.001 0.000 0.228 656 R C -0.042 176.287 176.300 0.048 0.000 1.110 656 R CA 1.544 57.677 56.100 0.054 0.000 0.973 656 R CB -0.470 29.852 30.300 0.036 0.000 0.869 656 R HN 0.523 nan 8.270 nan 0.000 0.440 657 A N -0.860 121.987 122.820 0.045 0.000 2.605 657 A HA 0.579 4.900 4.320 0.001 0.000 0.294 657 A C -1.504 176.105 177.584 0.042 0.000 1.062 657 A CA -0.248 51.818 52.037 0.048 0.000 0.682 657 A CB 1.473 20.504 19.000 0.050 0.000 1.278 657 A HN 0.395 nan 8.150 nan 0.000 0.410 658 V N -2.211 117.723 119.914 0.034 0.000 2.888 658 V HA 1.022 5.143 4.120 0.001 0.000 0.309 658 V C -0.265 175.835 176.094 0.010 0.000 1.114 658 V CA -0.182 62.109 62.300 -0.015 0.000 0.940 658 V CB 0.982 32.804 31.823 -0.002 0.000 1.021 658 V HN 2.537 nan 8.190 nan 0.000 0.426 659 A N 2.443 125.266 122.820 0.005 0.000 2.572 659 A HA 1.101 5.421 4.320 0.001 0.000 0.295 659 A C -0.440 177.183 177.584 0.065 0.000 1.072 659 A CA -0.279 51.822 52.037 0.108 0.000 0.691 659 A CB 1.902 21.077 19.000 0.291 0.000 1.291 659 A HN 2.651 nan 8.150 nan 0.000 0.404 660 A N 1.289 124.193 122.820 0.139 0.000 2.549 660 A HA 0.856 5.176 4.320 0.001 0.000 0.297 660 A C -0.833 176.843 177.584 0.153 0.000 1.061 660 A CA -0.428 51.683 52.037 0.123 0.000 0.690 660 A CB 1.404 20.529 19.000 0.208 0.000 1.287 660 A HN 1.335 nan 8.150 nan 0.000 0.402 661 K N 1.263 121.714 120.400 0.084 0.000 2.536 661 K HA 0.817 5.138 4.320 0.001 0.000 0.269 661 K C -1.684 174.949 176.600 0.055 0.000 0.965 661 K CA -0.620 55.721 56.287 0.090 0.000 0.860 661 K CB 2.238 34.808 32.500 0.118 0.000 1.423 661 K HN 0.825 nan 8.250 nan 0.000 0.438 662 I N 0.769 121.370 120.570 0.051 0.000 2.582 662 I HA 0.499 4.670 4.170 0.001 0.000 0.292 662 I C -1.361 174.791 176.117 0.059 0.000 1.066 662 I CA -0.798 60.528 61.300 0.043 0.000 1.053 662 I CB 2.099 40.121 38.000 0.037 0.000 1.241 662 I HN 0.859 nan 8.210 nan 0.000 0.421 663 R N 4.576 125.129 120.500 0.089 0.000 2.854 663 R HA 0.822 5.163 4.340 0.001 0.000 0.271 663 R C -1.232 175.154 176.300 0.143 0.000 0.994 663 R CA -0.723 55.456 56.100 0.132 0.000 0.945 663 R CB 2.210 32.631 30.300 0.202 0.000 1.194 663 R HN 0.800 nan 8.270 nan 0.000 0.476 664 G N 1.355 110.249 108.800 0.157 0.000 2.519 664 G HA2 0.507 4.467 3.960 0.001 0.000 0.307 664 G HA3 0.507 4.467 3.960 0.001 0.000 0.307 664 G C -1.683 173.329 174.900 0.186 0.000 1.266 664 G CA -0.431 44.763 45.100 0.157 0.000 0.970 664 G HN 0.409 nan 8.290 nan 0.000 0.481 665 Q N -0.944 118.979 119.800 0.205 0.000 2.372 665 Q HA 0.791 5.131 4.340 0.001 0.000 0.273 665 Q C -0.094 176.044 176.000 0.230 0.000 1.078 665 Q CA -0.339 55.609 55.803 0.241 0.000 0.806 665 Q CB 2.711 31.649 28.738 0.334 0.000 1.332 665 Q HN 1.123 nan 8.270 nan 0.000 0.435 666 G N 0.801 109.736 108.800 0.225 0.000 2.596 666 G HA2 0.413 4.374 3.960 0.001 0.000 0.296 666 G HA3 0.413 4.374 3.960 0.001 0.000 0.296 666 G C -0.583 174.435 174.900 0.196 0.000 1.513 666 G CA -0.864 44.347 45.100 0.185 0.000 0.851 666 G HN 0.619 nan 8.290 nan 0.000 0.548 667 M N 0.179 119.878 119.600 0.164 0.000 2.503 667 M HA -0.251 4.229 4.480 0.001 0.000 0.199 667 M C 1.610 178.039 176.300 0.214 0.000 0.466 667 M CA 1.670 57.061 55.300 0.152 0.000 0.510 667 M CB -1.187 31.475 32.600 0.104 0.000 1.858 667 M HN 2.537 nan 8.290 nan 0.000 0.799 668 G N -1.536 107.350 108.800 0.144 0.000 2.159 668 G HA2 -0.292 3.669 3.960 0.001 0.000 0.256 668 G HA3 -0.292 3.669 3.960 0.001 0.000 0.256 668 G C -0.355 174.385 174.900 -0.267 0.000 0.977 668 G CA 0.613 45.693 45.100 -0.033 0.000 0.652 668 G HN 0.599 nan 8.290 nan 0.000 0.531 669 Y N -0.284 120.043 120.300 0.046 0.000 2.633 669 Y HA 0.762 5.313 4.550 0.001 0.000 0.339 669 Y C 0.397 176.339 175.900 0.069 0.000 1.045 669 Y CA -0.244 57.883 58.100 0.044 0.000 1.098 669 Y CB 2.145 40.630 38.460 0.042 0.000 1.296 669 Y HN 0.605 nan 8.280 nan 0.000 0.494 670 A N 0.747 123.708 122.820 0.234 0.000 2.515 670 A HA 0.833 5.154 4.320 0.001 0.000 0.296 670 A C -1.165 176.542 177.584 0.206 0.000 1.094 670 A CA -0.588 51.560 52.037 0.186 0.000 0.718 670 A CB 1.933 20.996 19.000 0.104 0.000 1.307 670 A HN 0.544 nan 8.150 nan 0.000 0.408 671 S N 0.152 115.971 115.700 0.198 0.000 2.537 671 S HA 0.511 4.982 4.470 0.001 0.000 0.270 671 S C -1.759 172.951 174.600 0.184 0.000 1.142 671 S CA -0.663 57.664 58.200 0.213 0.000 0.870 671 S CB 1.325 64.686 63.200 0.269 0.000 1.112 671 S HN 0.658 nan 8.310 nan 0.000 0.466 672 D N 2.616 123.106 120.400 0.151 0.000 2.424 672 D HA 0.302 4.943 4.640 0.001 0.000 0.244 672 D C 1.117 177.442 176.300 0.041 0.000 1.134 672 D CA 0.116 54.169 54.000 0.087 0.000 0.881 672 D CB 0.827 41.646 40.800 0.031 0.000 1.191 672 D HN 0.529 nan 8.370 nan 0.000 0.445 673 I N 0.961 121.520 120.570 -0.018 0.000 2.726 673 I HA 0.044 4.215 4.170 0.001 0.000 0.243 673 I C 0.710 176.688 176.117 -0.231 0.000 1.082 673 I CA 0.341 61.563 61.300 -0.129 0.000 1.447 673 I CB 0.432 38.408 38.000 -0.039 0.000 1.250 673 I HN 0.125 nan 8.210 nan 0.000 0.453 674 V N 0.551 120.372 119.914 -0.156 0.000 3.048 674 V HA 0.444 4.565 4.120 0.001 0.000 0.303 674 V C -1.817 174.140 176.094 -0.229 0.000 1.214 674 V CA -0.341 61.802 62.300 -0.262 0.000 0.984 674 V CB 2.293 33.941 31.823 -0.292 0.000 1.054 674 V HN 0.365 nan 8.190 nan 0.000 0.430 675 E N 4.230 124.216 120.200 -0.356 0.000 2.356 675 E HA 0.673 5.024 4.350 0.001 0.000 0.275 675 E C -2.247 174.110 176.600 -0.405 0.000 0.904 675 E CA -0.538 55.757 56.400 -0.176 0.000 0.757 675 E CB 2.271 31.999 29.700 0.047 0.000 1.232 675 E HN 0.528 nan 8.360 nan 0.000 0.442 676 F N 0.978 120.887 119.950 -0.069 0.000 2.569 676 F HA 0.676 5.203 4.527 0.001 0.000 0.312 676 F C 0.427 175.969 175.800 -0.430 0.000 1.109 676 F CA -0.505 57.333 58.000 -0.270 0.000 0.919 676 F CB 2.640 41.547 39.000 -0.155 0.000 1.211 676 F HN 0.526 nan 8.300 nan 0.000 0.446 677 G N 2.104 110.426 108.800 -0.796 0.000 2.574 677 G HA2 0.838 4.799 3.960 0.001 0.000 0.299 677 G HA3 0.838 4.799 3.960 0.001 0.000 0.299 677 G C -2.010 172.674 174.900 -0.360 0.000 1.298 677 G CA -0.859 43.885 45.100 -0.594 0.000 0.952 677 G HN 0.572 nan 8.290 nan 0.000 0.477 678 L N 0.185 121.353 121.223 -0.092 0.000 2.455 678 L HA 0.672 5.013 4.340 0.001 0.000 0.264 678 L C -0.186 176.712 176.870 0.046 0.000 0.968 678 L CA -0.850 53.983 54.840 -0.011 0.000 0.827 678 L CB 2.888 44.946 42.059 -0.002 0.000 1.317 678 L HN 0.574 nan 8.230 nan 0.000 0.407 679 R N 1.913 122.455 120.500 0.070 0.000 2.807 679 R HA 0.874 5.215 4.340 0.001 0.000 0.276 679 R C -0.982 175.352 176.300 0.058 0.000 0.979 679 R CA -0.376 55.766 56.100 0.071 0.000 0.928 679 R CB 2.195 32.548 30.300 0.088 0.000 1.191 679 R HN 0.733 nan 8.270 nan 0.000 0.471 680 A N 2.984 125.834 122.820 0.051 0.000 3.165 680 A HA 0.128 4.449 4.320 0.001 0.000 0.212 680 A C 0.490 178.096 177.584 0.037 0.000 0.935 680 A CA -0.488 51.573 52.037 0.040 0.000 1.100 680 A CB 0.288 19.310 19.000 0.037 0.000 1.260 680 A HN 1.002 nan 8.150 nan 0.000 0.532 681 E N 0.445 120.669 120.200 0.040 0.000 2.038 681 E HA -0.195 4.156 4.350 0.001 0.000 0.195 681 E C 2.025 178.640 176.600 0.025 0.000 1.000 681 E CA 1.884 58.307 56.400 0.039 0.000 0.803 681 E CB -0.086 29.636 29.700 0.038 0.000 0.750 681 E HN 0.643 nan 8.360 nan 0.000 0.448 682 G N 1.662 110.472 108.800 0.017 0.000 2.433 682 G HA2 -0.255 3.706 3.960 0.001 0.000 0.216 682 G HA3 -0.255 3.706 3.960 0.001 0.000 0.216 682 G C 1.583 176.468 174.900 -0.025 0.000 1.186 682 G CA 0.464 45.565 45.100 0.002 0.000 0.779 682 G HN 0.254 nan 8.290 nan 0.000 0.543 683 L N 0.272 121.479 121.223 -0.027 0.000 2.064 683 L HA -0.245 4.095 4.340 0.001 0.000 0.216 683 L C 2.980 179.771 176.870 -0.132 0.000 1.077 683 L CA 2.165 56.966 54.840 -0.064 0.000 0.766 683 L CB -0.548 41.488 42.059 -0.039 0.000 0.890 683 L HN 0.422 nan 8.230 nan 0.000 0.435 684 Q N -0.564 119.192 119.800 -0.074 0.000 2.020 684 Q HA -0.269 4.072 4.340 0.001 0.000 0.202 684 Q C 1.916 177.842 176.000 -0.123 0.000 0.982 684 Q CA 1.763 57.518 55.803 -0.079 0.000 0.838 684 Q CB -0.110 28.706 28.738 0.131 0.000 0.899 684 Q HN 0.454 nan 8.270 nan 0.000 0.423 685 E N 0.227 120.415 120.200 -0.021 0.000 2.393 685 E HA -0.138 4.213 4.350 0.001 0.000 0.201 685 E C 1.291 177.859 176.600 -0.053 0.000 1.025 685 E CA 0.725 57.124 56.400 -0.002 0.000 0.856 685 E CB 0.142 29.850 29.700 0.013 0.000 0.771 685 E HN 0.266 nan 8.360 nan 0.000 0.526 686 L N -0.625 120.525 121.223 -0.123 0.000 2.664 686 L HA 0.103 4.444 4.340 0.001 0.000 0.233 686 L C 1.227 177.973 176.870 -0.206 0.000 1.113 686 L CA -0.130 54.637 54.840 -0.121 0.000 0.896 686 L CB 0.371 42.379 42.059 -0.085 0.000 1.163 686 L HN 0.168 nan 8.230 nan 0.000 0.497 687 L N -0.998 119.967 121.223 -0.430 0.000 2.513 687 L HA 0.247 4.587 4.340 0.001 0.000 0.222 687 L C -0.051 176.425 176.870 -0.657 0.000 1.096 687 L CA 0.886 55.316 54.840 -0.683 0.000 0.857 687 L CB 0.015 41.406 42.059 -1.113 0.000 1.026 687 L HN -0.059 nan 8.230 nan 0.000 0.469 729 W N 0.264 121.543 121.300 -0.036 0.000 3.074 729 W HA 0.693 5.354 4.660 0.001 0.000 0.332 729 W C -1.718 174.773 176.519 -0.047 0.000 1.253 729 W CA -1.002 56.312 57.345 -0.051 0.000 1.180 729 W CB 1.646 31.061 29.460 -0.074 0.000 1.445 729 W HN 0.153 nan 8.180 nan 0.000 0.573 730 K N 2.317 122.951 120.400 0.390 0.000 2.790 730 K HA 0.229 4.550 4.320 0.001 0.000 0.253 730 K C -0.379 176.358 176.600 0.228 0.000 1.082 730 K CA -0.220 56.201 56.287 0.223 0.000 1.067 730 K CB 1.064 33.618 32.500 0.090 0.000 1.284 730 K HN 0.618 nan 8.250 nan 0.000 0.529 731 S N 1.141 117.029 115.700 0.313 0.000 2.561 731 S HA 0.044 4.514 4.470 0.001 0.000 0.294 731 S C 0.307 174.962 174.600 0.093 0.000 1.294 731 S CA -0.529 57.756 58.200 0.141 0.000 1.055 731 S CB 0.386 63.687 63.200 0.169 0.000 0.819 731 S HN 0.230 nan 8.310 nan 0.000 0.503 732 V N 6.151 126.102 119.914 0.061 0.000 2.427 732 V HA 0.277 4.398 4.120 0.001 0.000 0.268 732 V C -1.927 174.227 176.094 0.100 0.000 1.046 732 V CA -1.611 60.760 62.300 0.118 0.000 0.970 732 V CB 0.373 32.329 31.823 0.221 0.000 1.001 732 V HN 0.798 nan 8.190 nan 0.000 0.476 733 P HA 0.079 nan 4.420 nan 0.000 0.262 733 P C -0.329 177.013 177.300 0.071 0.000 1.199 733 P CA 0.134 63.276 63.100 0.070 0.000 0.763 733 P CB 0.269 32.005 31.700 0.061 0.000 0.790 734 E N 3.299 123.536 120.200 0.062 0.000 2.052 734 E HA 0.087 4.438 4.350 0.001 0.000 0.283 734 E C -0.160 176.471 176.600 0.051 0.000 1.071 734 E CA -0.635 55.802 56.400 0.061 0.000 0.851 734 E CB 0.446 30.180 29.700 0.057 0.000 1.066 734 E HN 0.381 nan 8.360 nan 0.000 0.396 735 E N 3.012 123.244 120.200 0.054 0.000 2.292 735 E HA 0.022 4.372 4.350 0.001 0.000 0.265 735 E C -0.223 176.404 176.600 0.045 0.000 1.093 735 E CA -0.012 56.416 56.400 0.048 0.000 0.922 735 E CB 0.295 30.027 29.700 0.053 0.000 1.001 735 E HN 0.197 nan 8.360 nan 0.000 0.444 736 R N 4.180 124.702 120.500 0.038 0.000 2.391 736 R HA 0.256 4.596 4.340 0.001 0.000 0.310 736 R C -2.442 173.878 176.300 0.033 0.000 1.174 736 R CA -2.143 53.978 56.100 0.035 0.000 1.118 736 R CB 0.218 30.535 30.300 0.029 0.000 1.134 736 R HN 0.248 nan 8.270 nan 0.000 0.524 737 P HA 0.028 nan 4.420 nan 0.000 0.271 737 P C 0.591 177.910 177.300 0.031 0.000 1.220 737 P CA -0.072 63.053 63.100 0.041 0.000 0.768 737 P CB 0.793 32.529 31.700 0.059 0.000 0.848 738 L N 1.872 123.108 121.223 0.021 0.000 2.051 738 L HA -0.153 4.188 4.340 0.001 0.000 0.214 738 L C 1.038 177.919 176.870 0.019 0.000 1.076 738 L CA 1.832 56.678 54.840 0.010 0.000 0.758 738 L CB -0.375 41.685 42.059 0.002 0.000 0.890 738 L HN 0.475 nan 8.230 nan 0.000 0.433 739 A N -1.673 121.166 122.820 0.032 0.000 2.608 739 A HA 0.606 4.927 4.320 0.001 0.000 0.292 739 A C -0.875 176.748 177.584 0.065 0.000 1.066 739 A CA -0.030 52.033 52.037 0.043 0.000 0.676 739 A CB 1.405 20.424 19.000 0.031 0.000 1.277 739 A HN 0.035 nan 8.150 nan 0.000 0.413 740 S N -0.433 115.317 115.700 0.083 0.000 2.618 740 S HA 0.963 5.434 4.470 0.001 0.000 0.277 740 S C -0.247 174.430 174.600 0.128 0.000 1.138 740 S CA -0.174 58.102 58.200 0.126 0.000 0.844 740 S CB 1.642 64.937 63.200 0.158 0.000 1.127 740 S HN 2.440 nan 8.310 nan 0.000 0.474 741 G N 0.266 109.170 108.800 0.173 0.000 2.704 741 G HA2 0.703 4.664 3.960 0.001 0.000 0.293 741 G HA3 0.703 4.664 3.960 0.001 0.000 0.293 741 G C -1.702 173.343 174.900 0.241 0.000 1.421 741 G CA -0.714 44.456 45.100 0.117 0.000 0.870 741 G HN 1.420 nan 8.290 nan 0.000 0.492 742 Y N -1.774 118.626 120.300 0.166 0.000 2.689 742 Y HA 0.840 5.390 4.550 0.001 0.000 0.333 742 Y C -1.282 174.688 175.900 0.116 0.000 1.190 742 Y CA -1.708 56.492 58.100 0.166 0.000 1.063 742 Y CB 1.575 40.111 38.460 0.126 0.000 1.294 742 Y HN 0.552 nan 8.280 nan 0.000 0.466 743 V N 1.617 121.694 119.914 0.272 0.000 2.760 743 V HA 0.494 4.615 4.120 0.001 0.000 0.309 743 V C -0.955 175.178 176.094 0.066 0.000 1.077 743 V CA -1.244 61.057 62.300 0.002 0.000 0.910 743 V CB 2.000 33.778 31.823 -0.076 0.000 1.008 743 V HN 0.771 nan 8.190 nan 0.000 0.424 744 K N 2.811 123.180 120.400 -0.053 0.000 2.316 744 K HA 0.871 5.191 4.320 0.001 0.000 0.251 744 K C -1.578 174.897 176.600 -0.209 0.000 0.934 744 K CA -0.840 55.401 56.287 -0.078 0.000 0.802 744 K CB 2.818 35.304 32.500 -0.024 0.000 1.171 744 K HN 0.388 nan 8.250 nan 0.000 0.426 745 V N 2.540 122.324 119.914 -0.217 0.000 2.577 745 V HA 0.176 4.296 4.120 0.001 0.000 0.303 745 V C -0.365 175.525 176.094 -0.339 0.000 1.042 745 V CA -0.673 61.443 62.300 -0.306 0.000 0.872 745 V CB 1.057 32.735 31.823 -0.242 0.000 0.998 745 V HN 0.954 nan 8.190 nan 0.000 0.423 746 H N 3.357 122.282 119.070 -0.241 0.000 2.776 746 H HA -0.218 4.339 4.556 0.001 0.000 0.300 746 H C 1.449 176.503 175.328 -0.456 0.000 1.161 746 H CA 1.305 57.151 56.048 -0.337 0.000 1.147 746 H CB -0.930 28.492 29.762 -0.567 0.000 1.366 746 H HN 1.436 nan 8.280 nan 0.000 0.397 747 G N -1.241 107.422 108.800 -0.228 0.000 2.217 747 G HA2 -0.303 3.658 3.960 0.001 0.000 0.246 747 G HA3 -0.303 3.658 3.960 0.001 0.000 0.246 747 G C 0.048 174.768 174.900 -0.300 0.000 0.990 747 G CA 0.259 45.218 45.100 -0.235 0.000 0.627 747 G HN 0.403 nan 8.290 nan 0.000 0.522 748 Q N 0.737 120.327 119.800 -0.349 0.000 2.325 748 Q HA 0.452 4.793 4.340 0.001 0.000 0.262 748 Q C -0.166 175.741 176.000 -0.155 0.000 0.968 748 Q CA -0.484 55.149 55.803 -0.283 0.000 0.877 748 Q CB 1.868 30.400 28.738 -0.343 0.000 1.253 748 Q HN 0.643 nan 8.270 nan 0.000 0.448 749 E N 1.712 121.849 120.200 -0.105 0.000 2.299 749 E HA 0.106 4.456 4.350 0.001 0.000 0.272 749 E C 0.647 177.267 176.600 0.032 0.000 1.043 749 E CA -0.126 56.258 56.400 -0.027 0.000 0.895 749 E CB 0.651 30.316 29.700 -0.057 0.000 1.011 749 E HN 0.474 nan 8.360 nan 0.000 0.432 750 V N 2.437 122.384 119.914 0.054 0.000 3.570 750 V HA 0.341 4.461 4.120 0.001 0.000 0.257 750 V C 0.259 176.406 176.094 0.088 0.000 1.272 750 V CA 0.055 62.388 62.300 0.055 0.000 1.079 750 V CB 0.874 32.707 31.823 0.017 0.000 0.829 750 V HN 0.378 nan 8.190 nan 0.000 0.454 751 V N 1.678 121.676 119.914 0.140 0.000 2.950 751 V HA 0.693 4.813 4.120 0.001 0.000 0.295 751 V C -1.821 174.431 176.094 0.263 0.000 1.297 751 V CA -0.680 61.691 62.300 0.119 0.000 0.962 751 V CB 2.269 34.121 31.823 0.049 0.000 1.081 751 V HN 0.681 nan 8.190 nan 0.000 0.432 752 F N 4.171 124.171 119.950 0.084 0.000 2.613 752 F HA 1.050 5.577 4.527 0.001 0.000 0.314 752 F C -0.423 175.424 175.800 0.079 0.000 1.075 752 F CA -0.513 57.557 58.000 0.118 0.000 0.945 752 F CB 1.655 40.738 39.000 0.138 0.000 1.310 752 F HN 0.850 nan 8.300 nan 0.000 0.467 753 A N 1.358 124.271 122.820 0.154 0.000 2.556 753 A HA 0.792 5.112 4.320 0.001 0.000 0.294 753 A C -1.593 176.065 177.584 0.124 0.000 1.091 753 A CA -0.848 51.200 52.037 0.018 0.000 0.704 753 A CB 1.794 20.792 19.000 -0.005 0.000 1.300 753 A HN 0.860 nan 8.150 nan 0.000 0.406 754 E N -0.353 119.894 120.200 0.078 0.000 2.256 754 E HA 0.541 4.892 4.350 0.001 0.000 0.267 754 E C -1.530 175.099 176.600 0.048 0.000 0.892 754 E CA -0.729 55.724 56.400 0.089 0.000 0.775 754 E CB 2.646 32.410 29.700 0.106 0.000 1.207 754 E HN 0.451 nan 8.360 nan 0.000 0.420 755 L N 2.900 124.150 121.223 0.044 0.000 2.408 755 L HA 0.364 4.704 4.340 0.001 0.000 0.257 755 L C -0.667 176.217 176.870 0.024 0.000 1.053 755 L CA 0.054 54.910 54.840 0.026 0.000 0.922 755 L CB 0.327 42.399 42.059 0.022 0.000 1.261 755 L HN 0.499 nan 8.230 nan 0.000 0.458 756 D N 1.760 122.173 120.400 0.022 0.000 2.432 756 D HA 0.150 4.791 4.640 0.001 0.000 0.270 756 D C 0.256 176.562 176.300 0.011 0.000 1.256 756 D CA 0.522 54.534 54.000 0.019 0.000 1.022 756 D CB 0.582 41.396 40.800 0.023 0.000 0.916 756 D HN 0.398 nan 8.370 nan 0.000 0.253 757 K N 0.496 120.901 120.400 0.009 0.000 3.100 757 K HA 0.122 4.443 4.320 0.001 0.000 0.256 757 K C 0.700 177.302 176.600 0.003 0.000 1.146 757 K CA 0.018 56.308 56.287 0.005 0.000 1.233 757 K CB 0.306 32.809 32.500 0.005 0.000 1.226 757 K HN 0.022 nan 8.250 nan 0.000 0.442 758 K N 1.167 121.568 120.400 0.003 0.000 2.372 758 K HA 0.154 4.475 4.320 0.001 0.000 0.200 758 K C 0.542 177.142 176.600 -0.001 0.000 1.022 758 K CA -0.173 56.115 56.287 0.001 0.000 1.125 758 K CB 0.144 32.645 32.500 0.001 0.000 0.855 758 K HN 0.240 nan 8.250 nan 0.000 0.524 779 E N 0.877 121.067 120.200 -0.016 0.000 2.169 779 E HA -0.307 4.044 4.350 0.001 0.000 0.202 779 E C 1.314 177.906 176.600 -0.013 0.000 1.016 779 E CA 1.622 58.013 56.400 -0.015 0.000 0.817 779 E CB 0.282 29.976 29.700 -0.010 0.000 0.736 779 E HN 0.575 nan 8.360 nan 0.000 0.462 780 Q N 0.122 119.916 119.800 -0.010 0.000 2.291 780 Q HA -0.121 4.220 4.340 0.001 0.000 0.206 780 Q C 2.080 178.076 176.000 -0.007 0.000 0.976 780 Q CA 0.913 56.712 55.803 -0.006 0.000 0.875 780 Q CB -0.030 28.705 28.738 -0.004 0.000 0.927 780 Q HN 0.465 nan 8.270 nan 0.000 0.450 781 I N -1.583 118.979 120.570 -0.014 0.000 4.032 781 I HA 0.073 4.244 4.170 0.001 0.000 0.313 781 I C 1.769 177.867 176.117 -0.033 0.000 1.272 781 I CA 0.686 61.975 61.300 -0.018 0.000 1.307 781 I CB 0.015 38.002 38.000 -0.021 0.000 1.155 781 I HN 0.157 nan 8.210 nan 0.000 0.431 782 G N 0.892 109.668 108.800 -0.040 0.000 2.422 782 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 782 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 782 G C 1.688 176.566 174.900 -0.038 0.000 1.146 782 G CA 0.821 45.888 45.100 -0.055 0.000 0.769 782 G HN 0.481 nan 8.290 nan 0.000 0.547 783 A N 0.221 123.029 122.820 -0.021 0.000 1.883 783 A HA 0.029 4.350 4.320 0.001 0.000 0.217 783 A C 2.615 180.201 177.584 0.003 0.000 1.186 783 A CA 1.937 53.970 52.037 -0.008 0.000 0.624 783 A CB -0.672 18.326 19.000 -0.004 0.000 0.822 783 A HN 0.260 nan 8.150 nan 0.000 0.444 784 V N -0.517 119.401 119.914 0.006 0.000 2.307 784 V HA -0.218 3.903 4.120 0.001 0.000 0.245 784 V C 2.572 178.692 176.094 0.044 0.000 1.045 784 V CA 1.890 64.204 62.300 0.023 0.000 1.024 784 V CB -0.799 31.039 31.823 0.025 0.000 0.651 784 V HN 0.362 nan 8.190 nan 0.000 0.449 785 V N -0.078 119.853 119.914 0.028 0.000 2.332 785 V HA -0.291 3.830 4.120 0.001 0.000 0.248 785 V C 2.720 178.856 176.094 0.069 0.000 1.055 785 V CA 2.504 64.834 62.300 0.050 0.000 1.038 785 V CB -0.709 31.030 31.823 -0.140 0.000 0.651 785 V HN 0.650 nan 8.190 nan 0.000 0.450 786 S N -0.756 114.956 115.700 0.019 0.000 2.368 786 S HA -0.270 4.200 4.470 0.001 0.000 0.225 786 S C 2.152 176.775 174.600 0.040 0.000 1.030 786 S CA 2.096 60.311 58.200 0.025 0.000 0.999 786 S CB -0.282 62.920 63.200 0.003 0.000 0.844 786 S HN 0.602 nan 8.310 nan 0.000 0.459 787 K N 0.346 120.767 120.400 0.035 0.000 2.032 787 K HA -0.035 4.285 4.320 0.001 0.000 0.209 787 K C 2.205 178.832 176.600 0.044 0.000 1.048 787 K CA 1.602 57.908 56.287 0.033 0.000 0.927 787 K CB -0.356 32.161 32.500 0.028 0.000 0.712 787 K HN 0.416 nan 8.250 nan 0.000 0.441 788 L N 0.711 121.974 121.223 0.067 0.000 2.131 788 L HA -0.175 4.166 4.340 0.001 0.000 0.210 788 L C 2.111 179.030 176.870 0.082 0.000 1.092 788 L CA 1.352 56.239 54.840 0.079 0.000 0.759 788 L CB -0.218 41.912 42.059 0.118 0.000 0.903 788 L HN 0.307 nan 8.230 nan 0.000 0.435 789 E N -0.819 119.449 120.200 0.114 0.000 2.285 789 E HA -0.146 4.204 4.350 0.001 0.000 0.194 789 E C 1.891 178.523 176.600 0.053 0.000 0.997 789 E CA 0.403 56.865 56.400 0.104 0.000 0.845 789 E CB 0.196 29.978 29.700 0.137 0.000 0.782 789 E HN 0.447 nan 8.360 nan 0.000 0.491 790 Q N -0.180 119.646 119.800 0.043 0.000 2.425 790 Q HA 0.120 4.461 4.340 0.001 0.000 0.204 790 Q C 0.588 176.598 176.000 0.017 0.000 0.933 790 Q CA 0.594 56.413 55.803 0.026 0.000 0.939 790 Q CB 1.228 29.978 28.738 0.021 0.000 1.044 790 Q HN 0.235 nan 8.270 nan 0.000 0.513 791 G N 1.265 110.076 108.800 0.018 0.000 2.895 791 G HA2 -0.166 3.795 3.960 0.001 0.000 0.686 791 G HA3 -0.166 3.795 3.960 0.001 0.000 0.686 791 G C -0.792 174.115 174.900 0.011 0.000 1.108 791 G CA -0.636 44.469 45.100 0.009 0.000 0.761 791 G HN 0.079 nan 8.290 nan 0.000 0.611 792 M N 1.451 121.057 119.600 0.009 0.000 2.327 792 M HA 0.429 4.910 4.480 0.001 0.000 0.298 792 M C -0.859 175.446 176.300 0.008 0.000 1.065 792 M CA -0.697 54.609 55.300 0.011 0.000 0.916 792 M CB 2.447 35.056 32.600 0.014 0.000 1.630 792 M HN 0.676 nan 8.290 nan 0.000 0.442 793 D N 2.505 122.911 120.400 0.010 0.000 2.381 793 D HA 0.562 5.203 4.640 0.001 0.000 0.235 793 D C -1.673 174.635 176.300 0.013 0.000 1.068 793 D CA -0.371 53.635 54.000 0.010 0.000 0.832 793 D CB 1.390 42.196 40.800 0.010 0.000 1.101 793 D HN 0.272 nan 8.370 nan 0.000 0.515 794 V N 4.453 124.375 119.914 0.013 0.000 2.604 794 V HA 0.549 4.669 4.120 0.001 0.000 0.305 794 V C -0.836 175.268 176.094 0.016 0.000 1.043 794 V CA -0.875 61.433 62.300 0.015 0.000 0.888 794 V CB 1.649 33.480 31.823 0.013 0.000 0.995 794 V HN 0.593 nan 8.190 nan 0.000 0.429 795 L N 5.973 127.207 121.223 0.017 0.000 2.381 795 L HA 0.784 5.124 4.340 0.001 0.000 0.274 795 L C -1.465 175.410 176.870 0.008 0.000 0.988 795 L CA -0.383 54.469 54.840 0.020 0.000 0.824 795 L CB 1.685 43.762 42.059 0.031 0.000 1.263 795 L HN 0.593 nan 8.230 nan 0.000 0.410 796 L N 4.846 126.070 121.223 0.000 0.000 2.372 796 L HA 0.789 5.130 4.340 0.001 0.000 0.274 796 L C -0.472 176.372 176.870 -0.044 0.000 0.988 796 L CA 0.195 55.019 54.840 -0.027 0.000 0.833 796 L CB 1.887 43.932 42.059 -0.022 0.000 1.236 796 L HN 0.846 nan 8.230 nan 0.000 0.410 797 T N 1.401 115.890 114.554 -0.108 0.000 2.932 797 T HA 0.738 5.089 4.350 0.001 0.000 0.289 797 T C -0.607 173.896 174.700 -0.327 0.000 1.039 797 T CA -0.858 61.143 62.100 -0.165 0.000 1.024 797 T CB 2.071 70.848 68.868 -0.151 0.000 1.090 797 T HN 0.632 nan 8.240 nan 0.000 0.496 798 K N 0.222 120.431 120.400 -0.318 0.000 2.501 798 K HA 0.621 4.942 4.320 0.001 0.000 0.252 798 K C -0.644 175.695 176.600 -0.435 0.000 0.934 798 K CA -0.718 55.360 56.287 -0.348 0.000 0.797 798 K CB 1.887 34.343 32.500 -0.074 0.000 1.270 798 K HN 1.006 nan 8.250 nan 0.000 0.431 799 G N 2.947 111.302 108.800 -0.743 0.000 2.415 799 G HA2 0.641 4.602 3.960 0.001 0.000 0.327 799 G HA3 0.641 4.602 3.960 0.001 0.000 0.327 799 G C -1.651 172.714 174.900 -0.893 0.000 1.182 799 G CA -0.488 43.945 45.100 -1.111 0.000 0.924 799 G HN 0.564 nan 8.290 nan 0.000 0.470 800 Y N -0.985 118.933 120.300 -0.638 0.000 2.624 800 Y HA 0.617 5.167 4.550 0.001 0.000 0.334 800 Y C -1.210 174.840 175.900 0.250 0.000 1.155 800 Y CA -1.658 56.431 58.100 -0.018 0.000 1.046 800 Y CB 1.155 39.605 38.460 -0.017 0.000 1.316 800 Y HN 0.384 nan 8.280 nan 0.000 0.457 801 V N 3.141 123.355 119.914 0.500 0.000 2.333 801 V HA 0.190 4.310 4.120 0.001 0.000 0.274 801 V C 0.586 176.890 176.094 0.351 0.000 1.028 801 V CA -0.435 62.083 62.300 0.363 0.000 0.851 801 V CB 0.830 32.825 31.823 0.287 0.000 1.000 801 V HN 0.948 nan 8.190 nan 0.000 0.456 802 V N 3.682 123.803 119.914 0.344 0.000 2.379 802 V HA 0.002 4.123 4.120 0.001 0.000 0.245 802 V C 0.860 177.084 176.094 0.217 0.000 1.044 802 V CA 1.634 64.113 62.300 0.298 0.000 1.036 802 V CB 0.076 32.072 31.823 0.289 0.000 0.664 802 V HN 0.962 nan 8.190 nan 0.000 0.453 803 S N -0.972 114.839 115.700 0.185 0.000 2.543 803 S HA 0.632 5.102 4.470 0.001 0.000 0.274 803 S C -1.054 173.615 174.600 0.115 0.000 1.149 803 S CA -0.793 57.495 58.200 0.145 0.000 0.866 803 S CB 2.612 65.893 63.200 0.135 0.000 1.111 803 S HN 0.394 nan 8.310 nan 0.000 0.457 804 E N 0.870 121.120 120.200 0.084 0.000 2.334 804 E HA 0.571 4.922 4.350 0.001 0.000 0.280 804 E C -2.081 174.536 176.600 0.030 0.000 0.899 804 E CA -0.704 55.732 56.400 0.060 0.000 0.813 804 E CB 1.882 31.621 29.700 0.065 0.000 1.318 804 E HN 0.592 nan 8.360 nan 0.000 0.399 805 V N 4.770 124.698 119.914 0.023 0.000 2.735 805 V HA 0.748 4.868 4.120 0.001 0.000 0.310 805 V C -1.171 174.934 176.094 0.018 0.000 1.061 805 V CA -0.536 61.767 62.300 0.005 0.000 0.913 805 V CB 1.885 33.705 31.823 -0.005 0.000 1.005 805 V HN 0.764 nan 8.190 nan 0.000 0.428 806 R N 4.399 124.912 120.500 0.021 0.000 2.584 806 R HA 0.455 4.796 4.340 0.001 0.000 0.276 806 R C -2.482 173.870 176.300 0.087 0.000 1.046 806 R CA -0.620 55.507 56.100 0.045 0.000 0.906 806 R CB 2.051 32.359 30.300 0.012 0.000 1.215 806 R HN 0.803 nan 8.270 nan 0.000 0.449 807 Y N 5.440 125.731 120.300 -0.016 0.000 2.326 807 Y HA 0.503 5.054 4.550 0.001 0.000 0.329 807 Y C -1.327 174.595 175.900 0.036 0.000 0.973 807 Y CA -0.664 57.440 58.100 0.006 0.000 1.162 807 Y CB 1.460 39.908 38.460 -0.020 0.000 1.147 807 Y HN 0.486 nan 8.280 nan 0.000 0.456 808 M N 6.059 125.402 119.600 -0.429 0.000 2.465 808 M HA 0.483 4.964 4.480 0.001 0.000 0.316 808 M C -1.311 174.848 176.300 -0.236 0.000 1.121 808 M CA -0.754 54.428 55.300 -0.197 0.000 0.934 808 M CB 2.560 35.198 32.600 0.063 0.000 1.692 808 M HN 0.676 nan 8.290 nan 0.000 0.444 809 Q N 3.115 122.858 119.800 -0.094 0.000 2.352 809 Q HA 0.491 4.831 4.340 0.001 0.000 0.270 809 Q C -2.854 172.996 176.000 -0.250 0.000 1.006 809 Q CA -1.628 54.126 55.803 -0.082 0.000 0.880 809 Q CB 3.540 32.258 28.738 -0.034 0.000 1.392 809 Q HN 0.281 nan 8.270 nan 0.000 0.401 810 P HA 0.041 nan 4.420 nan 0.000 0.271 810 P C -0.174 176.975 177.300 -0.251 0.000 1.218 810 P CA -0.060 62.649 63.100 -0.652 0.000 0.780 810 P CB 0.792 32.039 31.700 -0.755 0.000 0.901 811 V N 0.402 120.209 119.914 -0.178 0.000 3.234 811 V HA 0.230 4.350 4.120 0.001 0.000 0.317 811 V C 1.925 177.988 176.094 -0.051 0.000 1.081 811 V CA -0.238 62.009 62.300 -0.088 0.000 1.037 811 V CB 0.301 32.078 31.823 -0.076 0.000 1.148 811 V HN 0.806 nan 8.190 nan 0.000 0.453 812 C N 0.468 119.755 119.300 -0.021 0.000 2.419 812 C HA -0.073 4.387 4.460 0.001 0.000 0.283 812 C C 2.174 177.197 174.990 0.055 0.000 1.373 812 C CA 1.003 60.046 59.018 0.042 0.000 1.781 812 C CB -1.880 25.897 27.740 0.061 0.000 1.886 812 C HN 0.916 nan 8.230 nan 0.000 0.520 813 I N -0.757 119.828 120.570 0.024 0.000 3.428 813 I HA 0.357 4.527 4.170 0.001 0.000 0.286 813 I C 1.608 177.782 176.117 0.096 0.000 1.287 813 I CA 0.970 62.314 61.300 0.073 0.000 1.396 813 I CB -0.751 37.272 38.000 0.039 0.000 1.062 813 I HN 0.455 nan 8.210 nan 0.000 0.471 814 G N 2.592 111.436 108.800 0.074 0.000 2.134 814 G HA2 -0.209 3.752 3.960 0.001 0.000 0.209 814 G HA3 -0.209 3.752 3.960 0.001 0.000 0.209 814 G C 0.104 175.106 174.900 0.170 0.000 0.993 814 G CA 0.206 45.391 45.100 0.142 0.000 0.669 814 G HN 0.728 nan 8.290 nan 0.000 0.519 815 I N -1.902 118.707 120.570 0.065 0.000 2.750 815 I HA 0.847 5.017 4.170 0.001 0.000 0.308 815 I C -2.433 173.619 176.117 -0.109 0.000 1.016 815 I CA -3.309 58.024 61.300 0.055 0.000 1.098 815 I CB 2.356 40.384 38.000 0.047 0.000 1.279 815 I HN -0.091 nan 8.210 nan 0.000 0.454 816 P HA 0.221 nan 4.420 nan 0.000 0.285 816 P C -0.832 176.416 177.300 -0.086 0.000 1.259 816 P CA -0.489 62.470 63.100 -0.236 0.000 0.794 816 P CB 1.471 33.064 31.700 -0.178 0.000 0.940 817 M N 2.320 121.872 119.600 -0.079 0.000 2.255 817 M HA 0.400 4.881 4.480 0.001 0.000 0.336 817 M C -0.854 175.468 176.300 0.036 0.000 1.135 817 M CA 0.415 55.710 55.300 -0.008 0.000 1.145 817 M CB 0.714 33.318 32.600 0.007 0.000 1.473 817 M HN 0.116 nan 8.290 nan 0.000 0.462 818 D N 3.972 124.409 120.400 0.063 0.000 2.855 818 D HA 0.439 5.080 4.640 0.001 0.000 0.241 818 D C -1.922 174.438 176.300 0.099 0.000 1.277 818 D CA -0.286 53.763 54.000 0.083 0.000 0.918 818 D CB 1.327 42.171 40.800 0.073 0.000 1.462 818 D HN 0.719 nan 8.370 nan 0.000 0.559 819 L N 3.883 125.186 121.223 0.133 0.000 2.305 819 L HA 0.558 4.899 4.340 0.001 0.000 0.284 819 L C -0.110 176.811 176.870 0.085 0.000 1.013 819 L CA -0.699 54.203 54.840 0.104 0.000 0.819 819 L CB 1.617 43.743 42.059 0.111 0.000 1.227 819 L HN 0.346 nan 8.230 nan 0.000 0.417 820 N N 3.203 121.934 118.700 0.052 0.000 2.454 820 N HA 0.459 5.200 4.740 0.001 0.000 0.291 820 N C -1.872 173.651 175.510 0.023 0.000 1.079 820 N CA -0.657 52.414 53.050 0.036 0.000 0.893 820 N CB 2.248 40.750 38.487 0.024 0.000 1.512 820 N HN 0.341 nan 8.380 nan 0.000 0.497 821 L N 5.228 126.465 121.223 0.024 0.000 2.319 821 L HA 0.601 4.942 4.340 0.001 0.000 0.281 821 L C -1.788 175.105 176.870 0.038 0.000 1.005 821 L CA -0.390 54.467 54.840 0.028 0.000 0.828 821 L CB 1.028 43.104 42.059 0.028 0.000 1.227 821 L HN 0.457 nan 8.230 nan 0.000 0.415 822 L N 6.052 127.298 121.223 0.038 0.000 2.376 822 L HA 0.675 5.015 4.340 0.001 0.000 0.275 822 L C -1.010 175.910 176.870 0.085 0.000 0.987 822 L CA -0.726 54.150 54.840 0.059 0.000 0.828 822 L CB 2.112 44.198 42.059 0.044 0.000 1.249 822 L HN 0.271 nan 8.230 nan 0.000 0.409 823 V N 2.042 122.027 119.914 0.120 0.000 2.443 823 V HA 0.613 4.734 4.120 0.001 0.000 0.293 823 V C -0.134 176.061 176.094 0.167 0.000 1.021 823 V CA -0.335 62.052 62.300 0.145 0.000 0.848 823 V CB 1.814 33.726 31.823 0.149 0.000 0.998 823 V HN 0.867 nan 8.190 nan 0.000 0.424 824 S N 3.595 119.388 115.700 0.155 0.000 2.632 824 S HA 0.997 5.468 4.470 0.001 0.000 0.289 824 S C -0.366 174.199 174.600 -0.059 0.000 1.115 824 S CA -0.208 58.047 58.200 0.091 0.000 0.889 824 S CB 2.458 65.767 63.200 0.180 0.000 1.116 824 S HN 1.226 nan 8.310 nan 0.000 0.486 825 G N -0.038 108.479 108.800 -0.473 0.000 2.733 825 G HA2 0.606 4.567 3.960 0.001 0.000 0.297 825 G HA3 0.606 4.567 3.960 0.001 0.000 0.297 825 G C -1.912 172.437 174.900 -0.919 0.000 1.422 825 G CA -0.637 44.096 45.100 -0.613 0.000 0.942 825 G HN 0.974 nan 8.290 nan 0.000 0.510 826 V N 0.542 120.241 119.914 -0.357 0.000 2.588 826 V HA 0.748 4.869 4.120 0.001 0.000 0.304 826 V C -0.077 176.016 176.094 -0.002 0.000 1.042 826 V CA -0.642 61.540 62.300 -0.196 0.000 0.877 826 V CB 1.894 33.717 31.823 0.000 0.000 0.996 826 V HN 0.866 nan 8.190 nan 0.000 0.425 827 T N 2.984 117.564 114.554 0.044 0.000 2.829 827 T HA 0.631 4.982 4.350 0.001 0.000 0.280 827 T C -0.570 174.158 174.700 0.046 0.000 0.999 827 T CA -0.148 62.002 62.100 0.084 0.000 0.983 827 T CB 1.337 70.279 68.868 0.124 0.000 0.968 827 T HN 0.717 nan 8.240 nan 0.000 0.446 828 T N 5.231 119.823 114.554 0.064 0.000 2.841 828 T HA 0.554 4.905 4.350 0.001 0.000 0.285 828 T C -1.070 173.658 174.700 0.047 0.000 0.991 828 T CA -0.738 61.397 62.100 0.059 0.000 0.966 828 T CB 0.706 69.628 68.868 0.090 0.000 0.962 828 T HN 0.705 nan 8.240 nan 0.000 0.438 829 N N 1.878 120.598 118.700 0.032 0.000 2.410 829 N HA 0.541 5.282 4.740 0.001 0.000 0.287 829 N C -0.934 174.592 175.510 0.026 0.000 1.044 829 N CA -0.882 52.186 53.050 0.029 0.000 0.881 829 N CB 2.102 40.602 38.487 0.022 0.000 1.405 829 N HN 0.341 nan 8.380 nan 0.000 0.490 830 R N 1.651 122.168 120.500 0.027 0.000 2.621 830 R HA 0.856 5.197 4.340 0.001 0.000 0.292 830 R C -1.708 174.603 176.300 0.018 0.000 0.969 830 R CA -0.767 55.347 56.100 0.023 0.000 0.887 830 R CB 1.389 31.704 30.300 0.026 0.000 1.180 830 R HN 0.632 nan 8.270 nan 0.000 0.450 831 A N 3.719 126.548 122.820 0.015 0.000 2.398 831 A HA 0.362 4.683 4.320 0.001 0.000 0.301 831 A C -1.471 176.117 177.584 0.008 0.000 1.041 831 A CA -0.824 51.219 52.037 0.011 0.000 0.711 831 A CB 1.545 20.552 19.000 0.012 0.000 1.240 831 A HN 0.759 nan 8.150 nan 0.000 0.420 832 N N 2.712 121.414 118.700 0.003 0.000 2.408 832 N HA 0.650 5.391 4.740 0.001 0.000 0.280 832 N C -1.557 173.950 175.510 -0.006 0.000 1.002 832 N CA -0.153 52.897 53.050 -0.000 0.000 0.907 832 N CB 0.902 39.388 38.487 -0.002 0.000 1.161 832 N HN 0.621 nan 8.380 nan 0.000 0.488 833 L N 1.486 122.706 121.223 -0.005 0.000 2.408 833 L HA 0.430 4.771 4.340 0.001 0.000 0.268 833 L C -0.320 176.540 176.870 -0.015 0.000 0.986 833 L CA -0.652 54.180 54.840 -0.013 0.000 0.820 833 L CB 2.102 44.157 42.059 -0.006 0.000 1.303 833 L HN 0.387 nan 8.230 nan 0.000 0.411 834 S N 1.626 117.307 115.700 -0.032 0.000 2.677 834 S HA 0.843 5.314 4.470 0.001 0.000 0.283 834 S C -0.945 173.611 174.600 -0.073 0.000 1.159 834 S CA -0.359 57.820 58.200 -0.034 0.000 1.001 834 S CB 1.549 64.731 63.200 -0.030 0.000 1.032 834 S HN 0.705 nan 8.310 nan 0.000 0.487 835 A N 3.317 126.091 122.820 -0.077 0.000 2.324 835 A HA 0.855 5.176 4.320 0.001 0.000 0.330 835 A C -0.118 177.299 177.584 -0.278 0.000 1.165 835 A CA -0.527 51.383 52.037 -0.213 0.000 0.813 835 A CB 1.472 20.342 19.000 -0.217 0.000 1.197 835 A HN 0.670 nan 8.150 nan 0.000 0.484 836 S N 0.153 115.572 115.700 -0.467 0.000 2.536 836 S HA 0.878 5.348 4.470 0.001 0.000 0.298 836 S C -1.239 172.965 174.600 -0.661 0.000 1.083 836 S CA -0.209 57.773 58.200 -0.362 0.000 0.995 836 S CB 0.542 63.632 63.200 -0.183 0.000 1.058 836 S HN 0.485 nan 8.310 nan 0.000 0.488 837 F N 0.220 120.157 119.950 -0.022 0.000 2.692 837 F HA 0.677 5.205 4.527 0.001 0.000 0.320 837 F C 0.498 176.288 175.800 -0.018 0.000 1.123 837 F CA -0.807 57.180 58.000 -0.021 0.000 0.961 837 F CB 1.489 40.478 39.000 -0.018 0.000 1.383 837 F HN 0.487 nan 8.300 nan 0.000 0.483 841 L N 3.379 124.611 121.223 0.015 0.000 2.513 841 L HA 0.453 4.793 4.340 0.001 0.000 0.272 841 L C -2.267 174.577 176.870 -0.043 0.000 1.187 841 L CA -0.897 53.926 54.840 -0.030 0.000 0.895 841 L CB -0.434 41.566 42.059 -0.099 0.000 1.147 841 L HN 0.142 nan 8.230 nan 0.000 0.483 842 P HA 0.080 nan 4.420 nan 0.000 0.266 842 P C 0.061 177.330 177.300 -0.052 0.000 1.195 842 P CA 0.190 63.267 63.100 -0.038 0.000 0.768 842 P CB 0.716 32.395 31.700 -0.034 0.000 0.838 843 A N 3.230 126.026 122.820 -0.041 0.000 1.933 843 A HA -0.145 4.176 4.320 0.001 0.000 0.218 843 A C 1.227 178.783 177.584 -0.046 0.000 1.175 843 A CA 1.624 53.636 52.037 -0.042 0.000 0.628 843 A CB -0.856 18.127 19.000 -0.028 0.000 0.814 843 A HN 0.670 nan 8.150 nan 0.000 0.444 844 D N 0.768 121.144 120.400 -0.040 0.000 2.870 844 D HA 0.135 4.776 4.640 0.001 0.000 0.241 844 D C 0.620 176.891 176.300 -0.048 0.000 1.234 844 D CA -0.381 53.595 54.000 -0.039 0.000 0.844 844 D CB -1.109 39.674 40.800 -0.028 0.000 1.051 844 D HN 0.660 nan 8.370 nan 0.000 0.469 845 M N -0.956 118.602 119.600 -0.068 0.000 2.245 845 M HA 0.098 4.578 4.480 0.001 0.000 0.335 845 M C -0.322 175.936 176.300 -0.071 0.000 1.155 845 M CA 0.339 55.588 55.300 -0.085 0.000 1.055 845 M CB 0.737 33.253 32.600 -0.141 0.000 1.670 845 M HN -0.226 nan 8.290 nan 0.000 0.447 846 K N 1.592 121.956 120.400 -0.060 0.000 2.313 846 K HA 0.399 4.720 4.320 0.001 0.000 0.235 846 K C 0.434 177.007 176.600 -0.045 0.000 1.035 846 K CA -1.061 55.199 56.287 -0.045 0.000 0.868 846 K CB 1.340 33.822 32.500 -0.030 0.000 1.232 846 K HN 0.598 nan 8.250 nan 0.000 0.459 847 L N 1.976 123.181 121.223 -0.029 0.000 2.012 847 L HA -0.131 4.209 4.340 0.001 0.000 0.210 847 L C 2.015 178.879 176.870 -0.010 0.000 1.073 847 L CA 2.204 57.033 54.840 -0.018 0.000 0.748 847 L CB -1.262 40.793 42.059 -0.007 0.000 0.891 847 L HN 0.859 nan 8.230 nan 0.000 0.431 848 A N -0.807 122.008 122.820 -0.009 0.000 1.940 848 A HA -0.223 4.098 4.320 0.001 0.000 0.219 848 A C 1.945 179.527 177.584 -0.004 0.000 1.176 848 A CA 1.833 53.868 52.037 -0.003 0.000 0.631 848 A CB -0.739 18.259 19.000 -0.004 0.000 0.814 848 A HN 0.590 nan 8.150 nan 0.000 0.446 849 D N 0.017 120.407 120.400 -0.017 0.000 2.144 849 D HA -0.102 4.539 4.640 0.001 0.000 0.200 849 D C 1.974 178.268 176.300 -0.009 0.000 0.978 849 D CA 0.871 54.860 54.000 -0.019 0.000 0.833 849 D CB -0.241 40.535 40.800 -0.040 0.000 0.961 849 D HN 0.449 nan 8.370 nan 0.000 0.470 850 L N 0.554 121.767 121.223 -0.017 0.000 2.027 850 L HA -0.104 4.237 4.340 0.001 0.000 0.206 850 L C 2.355 179.262 176.870 0.062 0.000 1.074 850 L CA 0.711 55.562 54.840 0.020 0.000 0.745 850 L CB -0.409 41.658 42.059 0.014 0.000 0.898 850 L HN 0.014 nan 8.230 nan 0.000 0.433 851 L N -0.254 120.992 121.223 0.039 0.000 2.642 851 L HA -0.119 4.222 4.340 0.001 0.000 0.236 851 L C 1.718 178.610 176.870 0.036 0.000 1.169 851 L CA 0.423 55.286 54.840 0.040 0.000 0.851 851 L CB -0.573 41.503 42.059 0.028 0.000 0.968 851 L HN 0.243 nan 8.230 nan 0.000 0.453 852 A N -1.307 121.534 122.820 0.035 0.000 2.551 852 A HA 0.276 4.596 4.320 0.001 0.000 0.252 852 A C 0.762 178.369 177.584 0.037 0.000 1.199 852 A CA -0.111 51.944 52.037 0.030 0.000 0.972 852 A CB 0.121 19.132 19.000 0.019 0.000 1.153 852 A HN 0.265 nan 8.150 nan 0.000 0.559 853 T N -0.754 113.836 114.554 0.061 0.000 2.938 853 T HA 0.398 4.749 4.350 0.001 0.000 0.285 853 T C -0.442 174.297 174.700 0.065 0.000 1.028 853 T CA -0.976 61.170 62.100 0.076 0.000 1.005 853 T CB 0.654 69.602 68.868 0.132 0.000 1.157 853 T HN 0.098 nan 8.240 nan 0.000 0.550 854 N N 1.501 120.230 118.700 0.047 0.000 2.415 854 N HA 0.261 5.002 4.740 0.001 0.000 0.250 854 N C -0.739 174.747 175.510 -0.041 0.000 1.127 854 N CA -0.056 52.991 53.050 -0.006 0.000 0.945 854 N CB 0.086 38.561 38.487 -0.020 0.000 1.196 854 N HN 0.521 nan 8.380 nan 0.000 0.499 855 I N 1.383 121.900 120.570 -0.089 0.000 2.291 855 I HA 0.085 4.255 4.170 0.001 0.000 0.292 855 I C 0.769 176.701 176.117 -0.308 0.000 1.064 855 I CA -0.319 60.830 61.300 -0.252 0.000 1.269 855 I CB 0.596 38.514 38.000 -0.136 0.000 1.418 855 I HN 0.248 nan 8.210 nan 0.000 0.485 856 E N 6.711 126.689 120.200 -0.370 0.000 2.089 856 E HA 0.254 4.605 4.350 0.001 0.000 0.284 856 E C -1.165 175.263 176.600 -0.288 0.000 1.023 856 E CA -0.789 55.444 56.400 -0.278 0.000 0.819 856 E CB 1.099 30.674 29.700 -0.208 0.000 1.076 856 E HN 0.384 nan 8.360 nan 0.000 0.396 857 L N 5.401 126.489 121.223 -0.225 0.000 2.277 857 L HA 0.405 4.746 4.340 0.001 0.000 0.284 857 L C -0.686 176.112 176.870 -0.120 0.000 1.028 857 L CA -0.505 54.232 54.840 -0.171 0.000 0.835 857 L CB 0.728 42.701 42.059 -0.142 0.000 1.215 857 L HN 0.357 nan 8.230 nan 0.000 0.425 858 R N 3.045 123.485 120.500 -0.100 0.000 2.347 858 R HA 0.628 4.968 4.340 0.001 0.000 0.304 858 R C -1.256 175.013 176.300 -0.052 0.000 1.072 858 R CA 0.022 56.079 56.100 -0.071 0.000 0.980 858 R CB 0.836 31.099 30.300 -0.061 0.000 0.986 858 R HN 0.507 nan 8.270 nan 0.000 0.448 859 V N 2.723 122.611 119.914 -0.043 0.000 2.709 859 V HA 0.739 4.860 4.120 0.001 0.000 0.308 859 V C -0.791 175.288 176.094 -0.025 0.000 1.062 859 V CA -0.948 61.335 62.300 -0.028 0.000 0.901 859 V CB 2.059 33.869 31.823 -0.022 0.000 1.003 859 V HN 0.840 nan 8.190 nan 0.000 0.425 860 A N 3.652 126.462 122.820 -0.017 0.000 2.363 860 A HA 0.946 5.267 4.320 0.001 0.000 0.296 860 A C -0.279 177.302 177.584 -0.006 0.000 1.237 860 A CA -0.093 51.935 52.037 -0.015 0.000 0.773 860 A CB 1.077 20.069 19.000 -0.013 0.000 1.153 860 A HN 1.419 nan 8.150 nan 0.000 0.473 861 A N 1.867 124.685 122.820 -0.004 0.000 2.475 861 A HA 0.943 5.263 4.320 0.001 0.000 0.301 861 A C -0.365 177.226 177.584 0.011 0.000 1.059 861 A CA -0.530 51.511 52.037 0.006 0.000 0.710 861 A CB 1.562 20.567 19.000 0.008 0.000 1.288 861 A HN 0.757 nan 8.150 nan 0.000 0.408 862 T N 0.988 115.555 114.554 0.021 0.000 2.916 862 T HA 0.642 4.993 4.350 0.001 0.000 0.298 862 T C -0.777 173.946 174.700 0.038 0.000 1.031 862 T CA -0.336 61.783 62.100 0.031 0.000 0.993 862 T CB 1.713 70.601 68.868 0.034 0.000 1.045 862 T HN 0.805 nan 8.240 nan 0.000 0.454 863 T N 1.966 116.548 114.554 0.046 0.000 2.841 863 T HA 0.736 5.086 4.350 0.001 0.000 0.285 863 T C -0.834 173.903 174.700 0.061 0.000 0.991 863 T CA -0.426 61.704 62.100 0.050 0.000 0.966 863 T CB 0.569 69.464 68.868 0.046 0.000 0.962 863 T HN 0.817 nan 8.240 nan 0.000 0.438 864 S N 4.595 120.334 115.700 0.065 0.000 2.607 864 S HA 0.876 5.346 4.470 0.001 0.000 0.273 864 S C -1.054 173.596 174.600 0.083 0.000 1.148 864 S CA -0.950 57.295 58.200 0.075 0.000 0.833 864 S CB 2.050 65.294 63.200 0.073 0.000 1.130 864 S HN 0.867 nan 8.310 nan 0.000 0.470 865 M N 1.828 121.484 119.600 0.093 0.000 2.373 865 M HA 0.531 5.011 4.480 0.001 0.000 0.290 865 M C -1.891 174.477 176.300 0.113 0.000 1.143 865 M CA -0.094 55.270 55.300 0.106 0.000 0.949 865 M CB 2.114 34.783 32.600 0.114 0.000 1.756 865 M HN 0.981 nan 8.290 nan 0.000 0.494 866 S N 3.430 119.196 115.700 0.111 0.000 2.571 866 S HA 0.649 5.119 4.470 0.001 0.000 0.284 866 S C -1.808 172.875 174.600 0.139 0.000 1.128 866 S CA -0.465 57.819 58.200 0.141 0.000 0.970 866 S CB 1.982 65.265 63.200 0.138 0.000 1.039 866 S HN 0.769 nan 8.310 nan 0.000 0.485 867 Q N 3.297 123.230 119.800 0.222 0.000 2.323 867 Q HA 0.345 4.685 4.340 0.001 0.000 0.271 867 Q C -1.315 174.922 176.000 0.395 0.000 1.048 867 Q CA -0.508 55.434 55.803 0.231 0.000 0.792 867 Q CB 1.990 30.852 28.738 0.206 0.000 1.280 867 Q HN 0.800 nan 8.270 nan 0.000 0.441 868 H N 0.349 119.517 119.070 0.163 0.000 2.481 868 H HA 0.591 5.147 4.556 0.001 0.000 0.333 868 H C -0.810 174.605 175.328 0.144 0.000 1.066 868 H CA -0.686 55.491 56.048 0.215 0.000 1.209 868 H CB 1.846 31.767 29.762 0.265 0.000 1.445 868 H HN 0.633 nan 8.280 nan 0.000 0.488 869 A N 4.008 126.976 122.820 0.247 0.000 2.273 869 A HA 0.490 4.811 4.320 0.001 0.000 0.315 869 A C -0.573 177.048 177.584 0.062 0.000 1.256 869 A CA -0.616 51.521 52.037 0.166 0.000 0.851 869 A CB 0.569 19.680 19.000 0.186 0.000 1.172 869 A HN 0.436 nan 8.150 nan 0.000 0.508 870 V N 1.698 121.575 119.914 -0.062 0.000 2.409 870 V HA 0.737 4.857 4.120 0.001 0.000 0.291 870 V C 0.370 176.439 176.094 -0.041 0.000 1.020 870 V CA -0.398 61.792 62.300 -0.184 0.000 0.848 870 V CB 1.200 32.835 31.823 -0.313 0.000 0.990 870 V HN 1.142 nan 8.190 nan 0.000 0.430 871 A N 6.196 129.016 122.820 0.000 0.000 2.331 871 A HA 0.943 5.264 4.320 0.001 0.000 0.320 871 A C -0.862 176.739 177.584 0.028 0.000 1.138 871 A CA -0.490 51.565 52.037 0.029 0.000 0.790 871 A CB 0.840 19.882 19.000 0.070 0.000 1.206 871 A HN 0.789 nan 8.150 nan 0.000 0.470 872 I N 2.008 122.600 120.570 0.036 0.000 2.582 872 I HA 0.482 4.653 4.170 0.001 0.000 0.292 872 I C -0.455 175.707 176.117 0.075 0.000 1.066 872 I CA -0.295 61.055 61.300 0.083 0.000 1.053 872 I CB 2.329 40.383 38.000 0.090 0.000 1.241 872 I HN 0.767 nan 8.210 nan 0.000 0.421 873 M N 5.675 125.322 119.600 0.078 0.000 2.142 873 M HA 0.748 5.228 4.480 0.001 0.000 0.299 873 M C -0.760 175.554 176.300 0.023 0.000 0.960 873 M CA 0.023 55.348 55.300 0.042 0.000 0.920 873 M CB 1.522 34.124 32.600 0.003 0.000 1.541 873 M HN 0.790 nan 8.290 nan 0.000 0.429 874 G N 3.551 112.369 108.800 0.030 0.000 2.494 874 G HA2 0.550 4.511 3.960 0.001 0.000 0.308 874 G HA3 0.550 4.511 3.960 0.001 0.000 0.308 874 G C -2.317 172.583 174.900 0.000 0.000 1.263 874 G CA -0.897 44.188 45.100 -0.026 0.000 0.840 874 G HN 0.635 nan 8.290 nan 0.000 0.479 875 L N 0.548 121.761 121.223 -0.017 0.000 2.322 875 L HA 0.738 5.079 4.340 0.001 0.000 0.281 875 L C 0.135 177.029 176.870 0.039 0.000 1.014 875 L CA -0.580 54.261 54.840 0.003 0.000 0.815 875 L CB 2.254 44.306 42.059 -0.011 0.000 1.247 875 L HN 0.595 nan 8.230 nan 0.000 0.421 876 T N 1.157 115.737 114.554 0.044 0.000 2.916 876 T HA 0.781 5.132 4.350 0.001 0.000 0.298 876 T C -0.559 174.167 174.700 0.044 0.000 1.031 876 T CA -0.259 61.877 62.100 0.059 0.000 0.993 876 T CB 1.214 70.122 68.868 0.068 0.000 1.045 876 T HN 0.801 nan 8.240 nan 0.000 0.454 877 T N 1.034 115.607 114.554 0.032 0.000 2.838 877 T HA 0.450 4.801 4.350 0.001 0.000 0.292 877 T C 0.374 175.072 174.700 -0.004 0.000 1.113 877 T CA -0.729 61.372 62.100 0.002 0.000 1.008 877 T CB 1.316 70.152 68.868 -0.053 0.000 1.259 877 T HN 0.369 nan 8.240 nan 0.000 0.520 878 D N -0.074 120.308 120.400 -0.029 0.000 2.221 878 D HA -0.002 4.639 4.640 0.001 0.000 0.204 878 D C 1.595 177.876 176.300 -0.032 0.000 0.982 878 D CA 1.141 55.124 54.000 -0.029 0.000 0.857 878 D CB 0.110 40.890 40.800 -0.034 0.000 0.934 878 D HN 0.427 nan 8.370 nan 0.000 0.475 879 L N -0.947 120.253 121.223 -0.037 0.000 2.672 879 L HA 0.333 4.674 4.340 0.001 0.000 0.236 879 L C 0.432 177.352 176.870 0.083 0.000 1.092 879 L CA -0.099 54.728 54.840 -0.022 0.000 0.887 879 L CB 0.702 42.706 42.059 -0.091 0.000 1.168 879 L HN -0.169 nan 8.230 nan 0.000 0.502 880 A N 0.555 123.441 122.820 0.110 0.000 2.408 880 A HA 0.710 5.031 4.320 0.001 0.000 0.295 880 A C -1.151 176.493 177.584 0.100 0.000 1.040 880 A CA -0.487 51.641 52.037 0.152 0.000 0.707 880 A CB 1.366 20.481 19.000 0.192 0.000 1.235 880 A HN -0.022 nan 8.150 nan 0.000 0.418 881 K N 0.594 121.069 120.400 0.125 0.000 2.318 881 K HA 0.881 5.202 4.320 0.001 0.000 0.249 881 K C -0.541 176.169 176.600 0.183 0.000 0.942 881 K CA -0.090 56.300 56.287 0.173 0.000 0.808 881 K CB 2.463 35.104 32.500 0.235 0.000 1.189 881 K HN 1.138 nan 8.250 nan 0.000 0.428 882 A N 0.886 123.714 122.820 0.014 0.000 2.572 882 A HA 0.942 5.263 4.320 0.001 0.000 0.295 882 A C -0.570 176.592 177.584 -0.704 0.000 1.072 882 A CA -0.097 51.721 52.037 -0.365 0.000 0.691 882 A CB 1.763 20.671 19.000 -0.154 0.000 1.291 882 A HN 0.786 nan 8.150 nan 0.000 0.404 883 G N -0.380 107.642 108.800 -1.296 0.000 2.367 883 G HA2 0.522 4.483 3.960 0.001 0.000 0.272 883 G HA3 0.522 4.483 3.960 0.001 0.000 0.272 883 G C -1.220 173.258 174.900 -0.704 0.000 1.271 883 G CA -0.060 44.575 45.100 -0.774 0.000 0.893 883 G HN 1.404 nan 8.290 nan 0.000 0.485 884 M N 0.711 120.186 119.600 -0.208 0.000 2.436 884 M HA 0.764 5.245 4.480 0.001 0.000 0.331 884 M C -0.835 175.587 176.300 0.204 0.000 1.135 884 M CA -0.674 54.621 55.300 -0.009 0.000 0.987 884 M CB 2.056 34.634 32.600 -0.036 0.000 1.687 884 M HN 0.712 nan 8.290 nan 0.000 0.445 885 Q N 2.713 122.652 119.800 0.231 0.000 2.305 885 Q HA 0.464 4.805 4.340 0.001 0.000 0.271 885 Q C -1.815 174.225 176.000 0.068 0.000 1.046 885 Q CA -0.579 55.325 55.803 0.169 0.000 0.798 885 Q CB 2.488 31.332 28.738 0.178 0.000 1.286 885 Q HN 0.756 nan 8.270 nan 0.000 0.435 886 T N 3.326 117.894 114.554 0.022 0.000 2.779 886 T HA 0.308 4.659 4.350 0.001 0.000 0.280 886 T C -1.246 173.418 174.700 -0.060 0.000 0.987 886 T CA -0.414 61.654 62.100 -0.052 0.000 0.966 886 T CB 0.676 69.504 68.868 -0.066 0.000 0.933 886 T HN 0.389 nan 8.240 nan 0.000 0.442 887 H N 2.858 121.801 119.070 -0.211 0.000 2.587 887 H HA 0.349 4.906 4.556 0.001 0.000 0.325 887 H C -1.450 173.719 175.328 -0.266 0.000 1.012 887 H CA -0.759 55.199 56.048 -0.151 0.000 1.213 887 H CB 0.488 30.172 29.762 -0.130 0.000 1.431 887 H HN 0.592 nan 8.280 nan 0.000 0.492 888 Y N 3.781 124.189 120.300 0.180 0.000 2.331 888 Y HA 0.313 4.864 4.550 0.001 0.000 0.338 888 Y C 0.155 176.134 175.900 0.132 0.000 0.976 888 Y CA -0.607 57.580 58.100 0.145 0.000 1.137 888 Y CB 1.287 39.817 38.460 0.117 0.000 1.172 888 Y HN 0.328 nan 8.280 nan 0.000 0.478 889 K N 1.806 122.317 120.400 0.185 0.000 2.345 889 K HA 0.605 4.925 4.320 0.001 0.000 0.255 889 K C -0.836 175.862 176.600 0.164 0.000 0.934 889 K CA -0.948 55.392 56.287 0.088 0.000 0.801 889 K CB 2.359 34.750 32.500 -0.181 0.000 1.137 889 K HN 0.478 nan 8.250 nan 0.000 0.424 890 T N 0.792 115.470 114.554 0.207 0.000 2.879 890 T HA 0.390 4.741 4.350 0.001 0.000 0.290 890 T C -1.202 173.604 174.700 0.177 0.000 0.993 890 T CA -0.512 61.697 62.100 0.183 0.000 0.975 890 T CB 0.920 69.899 68.868 0.185 0.000 0.981 890 T HN 0.457 nan 8.240 nan 0.000 0.439 891 S N 2.805 118.590 115.700 0.142 0.000 2.502 891 S HA 0.880 5.350 4.470 0.001 0.000 0.304 891 S C -0.659 174.005 174.600 0.107 0.000 1.097 891 S CA -0.723 57.551 58.200 0.123 0.000 1.045 891 S CB 1.559 64.820 63.200 0.101 0.000 1.019 891 S HN 1.056 nan 8.310 nan 0.000 0.481 892 A N 1.852 124.734 122.820 0.103 0.000 2.498 892 A HA 1.005 5.326 4.320 0.001 0.000 0.298 892 A C -0.256 177.382 177.584 0.090 0.000 1.075 892 A CA -0.743 51.352 52.037 0.096 0.000 0.714 892 A CB 1.849 20.907 19.000 0.098 0.000 1.299 892 A HN 1.143 nan 8.150 nan 0.000 0.407 893 G N -0.330 108.524 108.800 0.091 0.000 2.733 893 G HA2 0.625 4.586 3.960 0.001 0.000 0.297 893 G HA3 0.625 4.586 3.960 0.001 0.000 0.297 893 G C -2.137 172.828 174.900 0.107 0.000 1.452 893 G CA -0.341 44.813 45.100 0.090 0.000 0.940 893 G HN 1.372 nan 8.290 nan 0.000 0.547 894 L N 1.033 122.318 121.223 0.102 0.000 2.371 894 L HA 0.985 5.325 4.340 0.001 0.000 0.262 894 L C 0.272 177.194 176.870 0.087 0.000 1.006 894 L CA -0.278 54.638 54.840 0.126 0.000 0.818 894 L CB 2.329 44.462 42.059 0.123 0.000 1.354 894 L HN 0.986 nan 8.230 nan 0.000 0.415 895 G N 1.273 110.116 108.800 0.071 0.000 2.533 895 G HA2 0.669 4.629 3.960 0.001 0.000 0.304 895 G HA3 0.669 4.629 3.960 0.001 0.000 0.304 895 G C -2.036 172.837 174.900 -0.045 0.000 1.263 895 G CA -0.642 44.465 45.100 0.012 0.000 0.964 895 G HN 0.755 nan 8.290 nan 0.000 0.479 896 V N 1.575 121.462 119.914 -0.045 0.000 2.653 896 V HA 0.565 4.685 4.120 0.001 0.000 0.298 896 V C -1.669 174.395 176.094 -0.050 0.000 1.097 896 V CA -1.004 61.258 62.300 -0.063 0.000 0.908 896 V CB 1.799 33.603 31.823 -0.031 0.000 1.024 896 V HN 0.792 nan 8.190 nan 0.000 0.435 897 N N 4.725 123.384 118.700 -0.068 0.000 2.448 897 N HA 0.833 5.573 4.740 0.001 0.000 0.279 897 N C -0.223 175.255 175.510 -0.054 0.000 1.025 897 N CA 0.666 53.684 53.050 -0.052 0.000 0.898 897 N CB 2.333 40.789 38.487 -0.051 0.000 1.303 897 N HN 1.034 nan 8.380 nan 0.000 0.495 898 G N 2.154 110.927 108.800 -0.044 0.000 2.435 898 G HA2 0.289 4.249 3.960 0.001 0.000 0.228 898 G HA3 0.289 4.249 3.960 0.001 0.000 0.228 898 G C -1.776 173.096 174.900 -0.047 0.000 1.198 898 G CA -0.490 44.583 45.100 -0.044 0.000 0.948 898 G HN 0.404 nan 8.290 nan 0.000 0.487 899 K N -0.196 120.173 120.400 -0.051 0.000 2.468 899 K HA 0.642 4.963 4.320 0.001 0.000 0.252 899 K C -1.397 175.147 176.600 -0.094 0.000 0.932 899 K CA -0.557 55.685 56.287 -0.075 0.000 0.794 899 K CB 2.672 35.125 32.500 -0.077 0.000 1.241 899 K HN 0.364 nan 8.250 nan 0.000 0.428 900 I N 2.373 122.859 120.570 -0.140 0.000 2.418 900 I HA 0.234 4.405 4.170 0.001 0.000 0.287 900 I C -0.638 175.299 176.117 -0.300 0.000 1.008 900 I CA -0.587 60.566 61.300 -0.245 0.000 1.104 900 I CB 1.927 39.794 38.000 -0.222 0.000 1.264 900 I HN 0.444 nan 8.210 nan 0.000 0.438 901 E N 7.537 127.519 120.200 -0.364 0.000 2.145 901 E HA 0.524 4.875 4.350 0.001 0.000 0.262 901 E C -0.890 175.481 176.600 -0.382 0.000 0.883 901 E CA -0.523 55.699 56.400 -0.298 0.000 0.748 901 E CB 2.574 32.157 29.700 -0.196 0.000 1.140 901 E HN 0.471 nan 8.360 nan 0.000 0.417 902 M N 3.084 122.502 119.600 -0.305 0.000 2.602 902 M HA 0.450 4.931 4.480 0.001 0.000 0.312 902 M C -1.618 174.625 176.300 -0.094 0.000 1.181 902 M CA -0.698 54.462 55.300 -0.234 0.000 0.910 902 M CB 1.982 34.451 32.600 -0.219 0.000 1.723 902 M HN 0.323 nan 8.290 nan 0.000 0.459 903 N N 2.197 120.876 118.700 -0.035 0.000 2.664 903 N HA 0.367 5.108 4.740 0.001 0.000 0.268 903 N C -0.129 175.397 175.510 0.026 0.000 1.222 903 N CA 0.201 53.252 53.050 0.001 0.000 0.805 903 N CB 1.508 39.994 38.487 -0.001 0.000 1.399 903 N HN 0.816 nan 8.380 nan 0.000 0.547 904 A N 3.004 125.845 122.820 0.035 0.000 1.917 904 A HA -0.174 4.147 4.320 0.001 0.000 0.219 904 A C 2.045 179.651 177.584 0.035 0.000 1.182 904 A CA 1.317 53.379 52.037 0.043 0.000 0.633 904 A CB -0.216 18.810 19.000 0.042 0.000 0.819 904 A HN 0.661 nan 8.150 nan 0.000 0.448 905 R N -0.448 120.069 120.500 0.029 0.000 2.119 905 R HA -0.025 4.316 4.340 0.001 0.000 0.222 905 R C 1.613 177.927 176.300 0.022 0.000 1.088 905 R CA 1.381 57.495 56.100 0.023 0.000 0.984 905 R CB -0.188 30.123 30.300 0.019 0.000 0.884 905 R HN 0.654 nan 8.270 nan 0.000 0.447 906 E N 0.199 120.412 120.200 0.023 0.000 2.511 906 E HA 0.010 4.360 4.350 0.001 0.000 0.196 906 E C -0.363 176.254 176.600 0.028 0.000 1.066 906 E CA 0.052 56.464 56.400 0.021 0.000 0.871 906 E CB 0.259 29.969 29.700 0.016 0.000 0.863 906 E HN 0.144 nan 8.360 nan 0.000 0.520 907 S N 1.053 116.774 115.700 0.035 0.000 3.614 907 S HA -0.192 4.279 4.470 0.001 0.000 0.360 907 S C -0.566 174.071 174.600 0.060 0.000 1.023 907 S CA 0.572 58.800 58.200 0.046 0.000 1.114 907 S CB -1.232 61.989 63.200 0.035 0.000 0.907 907 S HN 0.403 nan 8.310 nan 0.000 0.470 908 N N 0.147 118.887 118.700 0.066 0.000 2.296 908 N HA 0.614 5.355 4.740 0.001 0.000 0.294 908 N C -1.334 174.244 175.510 0.113 0.000 1.033 908 N CA -0.336 52.762 53.050 0.080 0.000 0.839 908 N CB 1.239 39.749 38.487 0.040 0.000 1.395 908 N HN 0.194 nan 8.380 nan 0.000 0.479 909 F N 2.642 122.589 119.950 -0.005 0.000 2.532 909 F HA 0.544 5.072 4.527 0.001 0.000 0.321 909 F C -0.737 175.056 175.800 -0.011 0.000 1.089 909 F CA -0.645 57.350 58.000 -0.008 0.000 0.926 909 F CB 1.323 40.319 39.000 -0.006 0.000 1.168 909 F HN 0.370 nan 8.300 nan 0.000 0.459 910 K N 4.428 124.693 120.400 -0.225 0.000 2.581 910 K HA 0.762 5.083 4.320 0.001 0.000 0.249 910 K C -2.006 174.532 176.600 -0.105 0.000 0.966 910 K CA -0.677 55.600 56.287 -0.017 0.000 0.811 910 K CB 1.620 34.093 32.500 -0.045 0.000 1.223 910 K HN 0.756 nan 8.250 nan 0.000 0.438 911 A N 2.421 125.311 122.820 0.116 0.000 2.304 911 A HA 0.550 4.871 4.320 0.001 0.000 0.314 911 A C -1.001 176.605 177.584 0.037 0.000 1.187 911 A CA -0.647 51.441 52.037 0.085 0.000 0.810 911 A CB 1.222 20.355 19.000 0.221 0.000 1.183 911 A HN 0.543 nan 8.150 nan 0.000 0.487 912 S N 3.219 118.916 115.700 -0.005 0.000 2.601 912 S HA 0.502 4.973 4.470 0.001 0.000 0.312 912 S C -0.467 174.120 174.600 -0.022 0.000 1.107 912 S CA -0.399 57.794 58.200 -0.011 0.000 1.129 912 S CB 0.103 63.289 63.200 -0.025 0.000 0.982 912 S HN 0.581 nan 8.310 nan 0.000 0.469 913 L N 2.865 124.075 121.223 -0.021 0.000 2.282 913 L HA 0.482 4.823 4.340 0.001 0.000 0.288 913 L C 0.440 177.271 176.870 -0.064 0.000 1.033 913 L CA -0.992 53.819 54.840 -0.048 0.000 0.807 913 L CB 0.779 42.806 42.059 -0.055 0.000 1.209 913 L HN 0.298 nan 8.230 nan 0.000 0.423 914 K N 4.183 124.536 120.400 -0.078 0.000 2.451 914 K HA 0.199 4.519 4.320 0.001 0.000 0.280 914 K C -2.080 174.434 176.600 -0.143 0.000 1.020 914 K CA -1.121 55.116 56.287 -0.083 0.000 1.008 914 K CB 0.802 33.259 32.500 -0.072 0.000 0.917 914 K HN 0.385 nan 8.250 nan 0.000 0.478 915 P HA 0.160 nan 4.420 nan 0.000 0.277 915 P C -0.501 176.719 177.300 -0.133 0.000 1.271 915 P CA -0.476 62.552 63.100 -0.120 0.000 0.795 915 P CB 0.404 32.110 31.700 0.010 0.000 1.101 916 F N 0.368 120.331 119.950 0.022 0.000 2.543 916 F HA 0.075 4.603 4.527 0.001 0.000 0.375 916 F C 2.120 177.934 175.800 0.022 0.000 1.075 916 F CA 0.400 58.415 58.000 0.026 0.000 1.225 916 F CB 0.119 39.140 39.000 0.035 0.000 1.099 916 F HN 0.226 nan 8.300 nan 0.000 0.561 917 Q N 1.849 121.752 119.800 0.172 0.000 2.204 917 Q HA -0.017 4.324 4.340 0.001 0.000 0.198 917 Q C 0.440 176.501 176.000 0.103 0.000 0.946 917 Q CA 0.894 56.760 55.803 0.105 0.000 0.859 917 Q CB 0.263 29.037 28.738 0.061 0.000 0.946 917 Q HN 0.787 nan 8.270 nan 0.000 0.474 918 Q N -0.391 119.479 119.800 0.118 0.000 2.587 918 Q HA 0.399 4.739 4.340 0.001 0.000 0.293 918 Q C -0.803 175.244 176.000 0.078 0.000 1.083 918 Q CA -0.862 54.987 55.803 0.077 0.000 0.792 918 Q CB 1.394 30.162 28.738 0.049 0.000 1.484 918 Q HN -0.188 nan 8.270 nan 0.000 0.446 919 K N 0.909 121.327 120.400 0.031 0.000 2.466 919 K HA 0.068 4.389 4.320 0.001 0.000 0.278 919 K C -1.134 175.463 176.600 -0.005 0.000 1.048 919 K CA 0.764 57.054 56.287 0.005 0.000 1.088 919 K CB 0.205 32.658 32.500 -0.079 0.000 0.884 919 K HN 0.578 nan 8.250 nan 0.000 0.478 920 T N 4.031 118.589 114.554 0.007 0.000 2.847 920 T HA 0.219 4.570 4.350 0.001 0.000 0.291 920 T C -0.819 173.897 174.700 0.026 0.000 0.998 920 T CA -0.764 61.355 62.100 0.033 0.000 0.967 920 T CB 1.410 70.359 68.868 0.136 0.000 0.954 920 T HN 0.315 nan 8.240 nan 0.000 0.441 921 V N 4.449 124.378 119.914 0.026 0.000 2.488 921 V HA 0.173 4.293 4.120 0.001 0.000 0.277 921 V C 1.429 177.564 176.094 0.069 0.000 1.046 921 V CA -0.051 62.280 62.300 0.051 0.000 0.986 921 V CB 1.085 32.908 31.823 -0.001 0.000 0.989 921 V HN 0.881 nan 8.190 nan 0.000 0.475 922 V N 3.093 123.055 119.914 0.081 0.000 3.379 922 V HA 0.349 4.469 4.120 0.001 0.000 0.249 922 V C 0.358 176.506 176.094 0.090 0.000 1.184 922 V CA 0.211 62.562 62.300 0.085 0.000 1.106 922 V CB 0.773 32.639 31.823 0.072 0.000 0.826 922 V HN 0.463 nan 8.190 nan 0.000 0.465 923 V N 2.692 122.664 119.914 0.096 0.000 2.482 923 V HA 0.610 4.731 4.120 0.001 0.000 0.295 923 V C -1.022 175.129 176.094 0.096 0.000 1.026 923 V CA -0.350 62.013 62.300 0.106 0.000 0.856 923 V CB 1.755 33.655 31.823 0.128 0.000 1.001 923 V HN 0.381 nan 8.190 nan 0.000 0.424 924 L N 4.771 126.042 121.223 0.080 0.000 2.298 924 L HA 0.794 5.134 4.340 0.001 0.000 0.284 924 L C -0.151 176.762 176.870 0.072 0.000 1.013 924 L CA 0.545 55.414 54.840 0.048 0.000 0.824 924 L CB 1.852 43.925 42.059 0.023 0.000 1.221 924 L HN 0.600 nan 8.230 nan 0.000 0.418 925 S N 2.639 118.377 115.700 0.063 0.000 2.605 925 S HA 0.788 5.259 4.470 0.001 0.000 0.308 925 S C -0.471 174.175 174.600 0.077 0.000 1.113 925 S CA -0.531 57.743 58.200 0.124 0.000 1.049 925 S CB 1.504 64.845 63.200 0.235 0.000 1.001 925 S HN 0.811 nan 8.310 nan 0.000 0.480 926 T N 0.700 115.318 114.554 0.106 0.000 2.916 926 T HA 0.797 5.148 4.350 0.001 0.000 0.292 926 T C -0.631 174.154 174.700 0.142 0.000 1.055 926 T CA -0.829 61.316 62.100 0.076 0.000 1.009 926 T CB 1.738 70.592 68.868 -0.023 0.000 1.118 926 T HN 0.548 nan 8.240 nan 0.000 0.497 927 M N 1.586 121.258 119.600 0.120 0.000 2.433 927 M HA 0.557 5.038 4.480 0.001 0.000 0.290 927 M C -2.007 174.246 176.300 -0.078 0.000 1.173 927 M CA -0.379 54.889 55.300 -0.054 0.000 0.905 927 M CB 2.325 34.890 32.600 -0.059 0.000 1.692 927 M HN 1.051 nan 8.290 nan 0.000 0.462 928 E N 2.032 122.141 120.200 -0.152 0.000 2.291 928 E HA 0.443 4.793 4.350 0.001 0.000 0.276 928 E C -1.748 174.800 176.600 -0.086 0.000 0.896 928 E CA -0.315 56.033 56.400 -0.086 0.000 0.774 928 E CB 2.218 31.872 29.700 -0.076 0.000 1.227 928 E HN 0.706 nan 8.360 nan 0.000 0.413 929 S N 4.466 120.133 115.700 -0.054 0.000 2.433 929 S HA 0.576 5.047 4.470 0.001 0.000 0.310 929 S C -0.151 174.451 174.600 0.003 0.000 1.097 929 S CA -0.626 57.555 58.200 -0.031 0.000 1.103 929 S CB 0.305 63.482 63.200 -0.039 0.000 0.992 929 S HN 0.479 nan 8.310 nan 0.000 0.469 930 I N 0.104 120.697 120.570 0.039 0.000 3.145 930 I HA 0.887 5.058 4.170 0.001 0.000 0.313 930 I C -0.742 175.435 176.117 0.099 0.000 1.122 930 I CA -1.507 59.831 61.300 0.063 0.000 0.987 930 I CB 1.924 39.973 38.000 0.082 0.000 1.236 930 I HN 0.379 nan 8.210 nan 0.000 0.453 931 V N 0.708 120.666 119.914 0.073 0.000 2.715 931 V HA 0.819 4.939 4.120 0.001 0.000 0.310 931 V C -0.741 175.394 176.094 0.068 0.000 1.054 931 V CA -0.548 61.760 62.300 0.014 0.000 0.928 931 V CB 1.319 33.111 31.823 -0.052 0.000 1.007 931 V HN 0.909 nan 8.190 nan 0.000 0.437 932 F N 1.052 120.993 119.950 -0.015 0.000 2.626 932 F HA 0.943 5.471 4.527 0.001 0.000 0.311 932 F C -1.256 174.520 175.800 -0.041 0.000 1.088 932 F CA -1.374 56.604 58.000 -0.036 0.000 0.949 932 F CB 1.806 40.778 39.000 -0.046 0.000 1.322 932 F HN 0.397 nan 8.300 nan 0.000 0.461 933 V N 2.452 122.420 119.914 0.090 0.000 2.525 933 V HA 0.596 4.717 4.120 0.001 0.000 0.299 933 V C -0.697 175.440 176.094 0.071 0.000 1.034 933 V CA -0.741 61.564 62.300 0.008 0.000 0.863 933 V CB 1.905 33.583 31.823 -0.242 0.000 0.999 933 V HN 0.826 nan 8.190 nan 0.000 0.423 934 R N 3.485 124.082 120.500 0.162 0.000 2.562 934 R HA 0.767 5.107 4.340 0.001 0.000 0.298 934 R C -1.162 175.175 176.300 0.061 0.000 0.961 934 R CA -0.697 55.450 56.100 0.077 0.000 0.881 934 R CB 2.179 32.505 30.300 0.044 0.000 1.159 934 R HN 0.904 nan 8.270 nan 0.000 0.450 935 D N 1.707 122.130 120.400 0.037 0.000 2.825 935 D HA 0.252 4.893 4.640 0.001 0.000 0.327 935 D C -2.323 173.988 176.300 0.017 0.000 1.277 935 D CA -1.756 52.276 54.000 0.053 0.000 0.950 935 D CB 0.422 41.309 40.800 0.146 0.000 1.438 935 D HN 0.041 nan 8.370 nan 0.000 0.526 936 P HA -0.011 nan 4.420 nan 0.000 0.219 936 P C 1.089 178.391 177.300 0.004 0.000 1.146 936 P CA 1.455 64.548 63.100 -0.013 0.000 0.808 936 P CB 0.115 31.780 31.700 -0.058 0.000 0.779 937 S N -1.474 114.231 115.700 0.007 0.000 2.469 937 S HA 0.159 4.629 4.470 0.001 0.000 0.238 937 S C 1.225 175.831 174.600 0.009 0.000 0.998 937 S CA 1.043 59.252 58.200 0.015 0.000 0.957 937 S CB -0.765 62.453 63.200 0.030 0.000 0.764 937 S HN 0.432 nan 8.310 nan 0.000 0.514 938 G N 0.380 109.185 108.800 0.008 0.000 2.396 938 G HA2 -0.057 3.903 3.960 0.001 0.000 0.254 938 G HA3 -0.057 3.903 3.960 0.001 0.000 0.254 938 G C -0.846 174.047 174.900 -0.012 0.000 1.248 938 G CA -0.534 44.569 45.100 0.006 0.000 1.033 938 G HN 0.320 nan 8.290 nan 0.000 0.502 939 S N -0.078 115.612 115.700 -0.016 0.000 2.549 939 S HA 0.826 5.297 4.470 0.001 0.000 0.297 939 S C -0.206 174.371 174.600 -0.040 0.000 1.115 939 S CA -0.664 57.523 58.200 -0.020 0.000 1.059 939 S CB 1.779 64.970 63.200 -0.015 0.000 1.046 939 S HN 0.713 nan 8.310 nan 0.000 0.506 940 R N 1.351 121.815 120.500 -0.060 0.000 2.437 940 R HA 0.680 5.020 4.340 0.001 0.000 0.310 940 R C -1.065 175.230 176.300 -0.008 0.000 0.955 940 R CA -0.161 55.898 56.100 -0.070 0.000 0.851 940 R CB 0.740 30.945 30.300 -0.159 0.000 1.161 940 R HN 0.567 nan 8.270 nan 0.000 0.446 941 I N 3.711 124.284 120.570 0.005 0.000 2.582 941 I HA 0.445 4.616 4.170 0.001 0.000 0.292 941 I C -0.835 175.291 176.117 0.015 0.000 1.066 941 I CA -0.704 60.619 61.300 0.038 0.000 1.053 941 I CB 1.747 39.772 38.000 0.042 0.000 1.241 941 I HN 0.263 nan 8.210 nan 0.000 0.421 942 L N 6.656 127.892 121.223 0.022 0.000 2.341 942 L HA 0.627 4.967 4.340 0.001 0.000 0.267 942 L C -2.463 174.417 176.870 0.017 0.000 1.009 942 L CA -1.941 52.904 54.840 0.009 0.000 0.819 942 L CB 2.470 44.529 42.059 -0.001 0.000 1.323 942 L HN 0.265 nan 8.230 nan 0.000 0.425 943 P HA 0.058 nan 4.420 nan 0.000 0.275 943 P C 0.809 178.119 177.300 0.016 0.000 1.228 943 P CA -0.303 62.806 63.100 0.014 0.000 0.786 943 P CB 1.601 33.308 31.700 0.012 0.000 0.927 944 V N 2.814 122.735 119.914 0.012 0.000 2.324 944 V HA -0.195 3.926 4.120 0.001 0.000 0.250 944 V C 1.442 177.548 176.094 0.020 0.000 1.060 944 V CA 1.699 64.001 62.300 0.003 0.000 1.042 944 V CB -0.675 31.133 31.823 -0.025 0.000 0.650 944 V HN 0.455 nan 8.190 nan 0.000 0.450 945 L N 1.654 122.900 121.223 0.039 0.000 2.264 945 L HA 0.351 4.692 4.340 0.001 0.000 0.287 945 L C -2.437 174.472 176.870 0.065 0.000 1.039 945 L CA -1.894 52.996 54.840 0.083 0.000 0.829 945 L CB 1.083 43.221 42.059 0.131 0.000 1.211 945 L HN 0.094 nan 8.230 nan 0.000 0.427 946 P HA 0.028 nan 4.420 nan 0.000 0.260 946 P C -1.970 175.345 177.300 0.025 0.000 1.185 946 P CA -0.806 62.316 63.100 0.037 0.000 0.763 946 P CB 0.231 31.955 31.700 0.040 0.000 0.776 947 P HA -0.196 nan 4.420 nan 0.000 0.220 947 P C -0.108 177.183 177.300 -0.014 0.000 1.155 947 P CA 1.907 65.004 63.100 -0.004 0.000 0.880 947 P CB 0.177 31.873 31.700 -0.006 0.000 0.790 948 K N -1.865 118.530 120.400 -0.008 0.000 2.469 948 K HA 0.674 4.994 4.320 0.001 0.000 0.254 948 K C -0.480 176.119 176.600 -0.002 0.000 0.939 948 K CA -0.711 55.567 56.287 -0.015 0.000 0.812 948 K CB 2.490 34.982 32.500 -0.013 0.000 1.301 948 K HN -0.149 nan 8.250 nan 0.000 0.433 949 M N -0.142 119.454 119.600 -0.005 0.000 3.748 949 M HA 0.362 4.843 4.480 0.001 0.000 0.354 949 M C -1.710 174.592 176.300 0.003 0.000 1.543 949 M CA -0.206 55.102 55.300 0.013 0.000 0.907 949 M CB 2.492 35.119 32.600 0.045 0.000 2.192 949 M HN 0.651 nan 8.290 nan 0.000 0.508 996 K N 1.365 121.772 120.400 0.011 0.000 1.991 996 K HA -0.035 4.286 4.320 0.001 0.000 0.207 996 K C 1.895 178.534 176.600 0.064 0.000 1.045 996 K CA 1.810 58.111 56.287 0.023 0.000 0.937 996 K CB -0.011 32.497 32.500 0.013 0.000 0.720 996 K HN 0.181 nan 8.250 nan 0.000 0.438 997 Q N 0.847 120.676 119.800 0.048 0.000 2.012 997 Q HA -0.248 4.093 4.340 0.001 0.000 0.211 997 Q C 2.230 178.268 176.000 0.063 0.000 1.009 997 Q CA 2.557 58.389 55.803 0.050 0.000 0.866 997 Q CB -0.481 28.278 28.738 0.035 0.000 0.945 997 Q HN 0.386 nan 8.270 nan 0.000 0.414 998 I N 0.056 120.662 120.570 0.061 0.000 2.074 998 I HA -0.412 3.759 4.170 0.001 0.000 0.238 998 I C 2.584 178.751 176.117 0.082 0.000 1.037 998 I CA 2.222 63.559 61.300 0.062 0.000 1.301 998 I CB -0.645 37.389 38.000 0.057 0.000 1.016 998 I HN 0.435 nan 8.210 nan 0.000 0.400 999 H N 0.703 119.774 119.070 0.002 0.000 2.426 999 H HA -0.213 4.344 4.556 0.001 0.000 0.298 999 H C 1.805 177.127 175.328 -0.010 0.000 1.107 999 H CA 2.185 58.231 56.048 -0.004 0.000 1.298 999 H CB -0.036 29.721 29.762 -0.008 0.000 1.377 999 H HN 0.325 nan 8.280 nan 0.000 0.519 1000 D N 0.152 120.589 120.400 0.061 0.000 2.091 1000 D HA -0.100 4.541 4.640 0.001 0.000 0.199 1000 D C 2.358 178.630 176.300 -0.046 0.000 0.980 1000 D CA 1.472 55.466 54.000 -0.010 0.000 0.831 1000 D CB -0.140 40.697 40.800 0.061 0.000 0.987 1000 D HN 0.485 nan 8.370 nan 0.000 0.460 1001 I N 0.453 121.023 120.570 0.001 0.000 2.286 1001 I HA -0.140 4.030 4.170 0.001 0.000 0.245 1001 I C 0.979 177.103 176.117 0.013 0.000 1.104 1001 I CA 0.656 61.967 61.300 0.018 0.000 1.397 1001 I CB -0.029 37.990 38.000 0.031 0.000 1.072 1001 I HN -0.087 nan 8.210 nan 0.000 0.417 1002 M N 1.400 120.996 119.600 -0.007 0.000 3.690 1002 M HA 0.180 4.661 4.480 0.001 0.000 0.209 1002 M C 0.218 176.491 176.300 -0.045 0.000 1.403 1002 M CA 0.261 55.559 55.300 -0.003 0.000 1.621 1002 M CB -1.047 31.556 32.600 0.005 0.000 1.056 1002 M HN -0.033 nan 8.290 nan 0.000 0.593 1003 T N -0.037 114.493 114.554 -0.040 0.000 2.856 1003 T HA 0.684 5.035 4.350 0.001 0.000 0.283 1003 T C 0.656 175.359 174.700 0.004 0.000 1.008 1003 T CA -0.386 61.644 62.100 -0.117 0.000 0.997 1003 T CB 1.397 70.115 68.868 -0.251 0.000 0.992 1003 T HN 0.505 nan 8.240 nan 0.000 0.454 1004 A N 4.335 127.143 122.820 -0.019 0.000 2.345 1004 A HA 0.387 4.708 4.320 0.001 0.000 0.225 1004 A C 0.729 178.345 177.584 0.053 0.000 1.243 1004 A CA -0.261 51.855 52.037 0.132 0.000 0.875 1004 A CB -0.139 18.913 19.000 0.087 0.000 0.929 1004 A HN 0.819 nan 8.150 nan 0.000 0.502 1005 R N -0.780 119.493 120.500 -0.379 0.000 2.888 1005 R HA 0.647 4.988 4.340 0.001 0.000 0.264 1005 R C -3.289 172.175 176.300 -1.394 0.000 1.045 1005 R CA -2.231 53.467 56.100 -0.669 0.000 0.962 1005 R CB 0.848 30.966 30.300 -0.302 0.000 1.210 1005 R HN -0.108 nan 8.270 nan 0.000 0.479 1006 P HA 0.115 nan 4.420 nan 0.000 0.278 1006 P C -0.717 176.356 177.300 -0.379 0.000 1.238 1006 P CA -0.433 62.203 63.100 -0.774 0.000 0.794 1006 P CB 1.310 32.884 31.700 -0.210 0.000 0.955 1007 V N 4.562 124.332 119.914 -0.240 0.000 2.409 1007 V HA 0.262 4.382 4.120 0.001 0.000 0.291 1007 V C 0.567 176.639 176.094 -0.037 0.000 1.020 1007 V CA -0.792 61.436 62.300 -0.120 0.000 0.848 1007 V CB 1.439 33.200 31.823 -0.104 0.000 0.990 1007 V HN 0.577 nan 8.190 nan 0.000 0.430 1008 M N 5.844 125.432 119.600 -0.020 0.000 2.246 1008 M HA 0.314 4.795 4.480 0.001 0.000 0.350 1008 M C 0.114 176.428 176.300 0.023 0.000 1.406 1008 M CA 0.787 56.092 55.300 0.009 0.000 1.089 1008 M CB 0.038 32.638 32.600 0.001 0.000 1.782 1008 M HN 0.564 nan 8.290 nan 0.000 0.457 1009 R N 3.896 124.425 120.500 0.047 0.000 2.598 1009 R HA 0.719 5.059 4.340 0.001 0.000 0.279 1009 R C -0.890 175.442 176.300 0.052 0.000 0.984 1009 R CA -0.783 55.350 56.100 0.055 0.000 0.999 1009 R CB 1.586 31.933 30.300 0.078 0.000 1.114 1009 R HN 0.680 nan 8.270 nan 0.000 0.493 1010 R N 1.170 121.697 120.500 0.045 0.000 2.621 1010 R HA 0.351 4.692 4.340 0.001 0.000 0.284 1010 R C -1.057 175.270 176.300 0.044 0.000 0.998 1010 R CA -1.083 55.035 56.100 0.029 0.000 0.895 1010 R CB 1.997 32.301 30.300 0.006 0.000 1.195 1010 R HN 0.286 nan 8.270 nan 0.000 0.450 1011 K N 1.398 121.824 120.400 0.042 0.000 2.400 1011 K HA 0.427 4.748 4.320 0.001 0.000 0.246 1011 K C -1.567 175.053 176.600 0.033 0.000 0.995 1011 K CA -0.684 55.651 56.287 0.081 0.000 0.840 1011 K CB 1.919 34.526 32.500 0.179 0.000 1.293 1011 K HN 0.387 nan 8.250 nan 0.000 0.445 1012 Q N 1.823 121.670 119.800 0.079 0.000 3.087 1012 Q HA 0.199 4.540 4.340 0.001 0.000 0.195 1012 Q C -1.630 174.416 176.000 0.076 0.000 0.853 1012 Q CA -0.024 55.805 55.803 0.043 0.000 1.290 1012 Q CB 0.490 29.235 28.738 0.013 0.000 1.614 1012 Q HN 0.798 nan 8.270 nan 0.000 0.625 1013 S N 0.888 116.661 115.700 0.122 0.000 2.745 1013 S HA 0.882 5.353 4.470 0.001 0.000 0.292 1013 S C -0.197 174.411 174.600 0.013 0.000 1.133 1013 S CA -0.411 57.837 58.200 0.080 0.000 0.998 1013 S CB 1.841 65.106 63.200 0.109 0.000 1.087 1013 S HN 0.744 nan 8.310 nan 0.000 0.551 1014 C N 0.305 119.599 119.300 -0.009 0.000 3.318 1014 C HA 0.871 5.332 4.460 0.001 0.000 0.329 1014 C C -0.896 174.071 174.990 -0.039 0.000 1.449 1014 C CA -0.479 58.510 59.018 -0.048 0.000 1.397 1014 C CB 1.949 29.664 27.740 -0.042 0.000 1.810 1014 C HN 0.823 nan 8.230 nan 0.000 0.449 1015 S N 1.029 116.699 115.700 -0.049 0.000 2.333 1015 S HA 0.243 4.713 4.470 0.001 0.000 0.250 1015 S C -1.417 173.162 174.600 -0.035 0.000 0.959 1015 S CA -0.630 57.549 58.200 -0.036 0.000 1.037 1015 S CB 0.667 63.845 63.200 -0.037 0.000 1.215 1015 S HN 0.632 nan 8.310 nan 0.000 0.410 1016 K N 1.528 121.914 120.400 -0.023 0.000 2.185 1016 K HA 0.570 4.891 4.320 0.001 0.000 0.271 1016 K C 0.113 176.709 176.600 -0.007 0.000 1.013 1016 K CA -0.265 56.013 56.287 -0.015 0.000 0.943 1016 K CB 1.094 33.589 32.500 -0.008 0.000 0.998 1016 K HN 0.379 nan 8.250 nan 0.000 0.468 1017 S N 1.473 117.173 115.700 -0.000 0.000 2.474 1017 S HA 0.466 4.937 4.470 0.001 0.000 0.321 1017 S C 0.505 175.113 174.600 0.012 0.000 1.080 1017 S CA -0.571 57.634 58.200 0.009 0.000 1.106 1017 S CB 1.109 64.320 63.200 0.019 0.000 0.984 1017 S HN 0.667 nan 8.310 nan 0.000 0.464 1018 A N 5.284 128.110 122.820 0.010 0.000 1.855 1018 A HA 0.304 4.625 4.320 0.001 0.000 0.213 1018 A C 2.311 179.904 177.584 0.015 0.000 1.195 1018 A CA 1.254 53.298 52.037 0.011 0.000 0.610 1018 A CB -1.358 17.647 19.000 0.008 0.000 0.837 1018 A HN 1.203 nan 8.150 nan 0.000 0.444 1019 A N -0.326 122.503 122.820 0.015 0.000 1.958 1019 A HA -0.115 4.206 4.320 0.001 0.000 0.221 1019 A C 1.909 179.507 177.584 0.024 0.000 1.178 1019 A CA 1.824 53.872 52.037 0.018 0.000 0.642 1019 A CB -0.531 18.479 19.000 0.016 0.000 0.816 1019 A HN 0.497 nan 8.150 nan 0.000 0.453 1020 L N -1.727 119.514 121.223 0.030 0.000 2.693 1020 L HA 0.133 4.473 4.340 0.001 0.000 0.235 1020 L C 0.643 177.541 176.870 0.046 0.000 1.127 1020 L CA 0.400 55.266 54.840 0.043 0.000 0.914 1020 L CB 0.179 42.274 42.059 0.060 0.000 1.193 1020 L HN 0.258 nan 8.230 nan 0.000 0.502 1021 S N 0.673 116.394 115.700 0.035 0.000 3.587 1021 S HA -0.159 4.312 4.470 0.001 0.000 0.337 1021 S C 0.334 174.960 174.600 0.042 0.000 1.119 1021 S CA 0.858 59.079 58.200 0.034 0.000 0.976 1021 S CB -1.715 61.505 63.200 0.034 0.000 0.922 1021 S HN 0.730 nan 8.310 nan 0.000 0.503 1022 S N -0.133 115.591 115.700 0.040 0.000 2.549 1022 S HA 0.757 5.228 4.470 0.001 0.000 0.280 1022 S C -0.998 173.604 174.600 0.003 0.000 1.109 1022 S CA -1.136 57.087 58.200 0.038 0.000 0.905 1022 S CB 2.248 65.497 63.200 0.081 0.000 1.081 1022 S HN 0.533 nan 8.310 nan 0.000 0.477 1023 K N 0.110 120.495 120.400 -0.025 0.000 2.316 1023 K HA 0.768 5.089 4.320 0.001 0.000 0.251 1023 K C -1.465 175.059 176.600 -0.126 0.000 0.934 1023 K CA -1.080 55.172 56.287 -0.059 0.000 0.802 1023 K CB 2.163 34.633 32.500 -0.050 0.000 1.171 1023 K HN 0.438 nan 8.250 nan 0.000 0.426 1024 V N 3.539 123.371 119.914 -0.136 0.000 2.311 1024 V HA 0.281 4.402 4.120 0.001 0.000 0.275 1024 V C -0.931 175.019 176.094 -0.240 0.000 1.022 1024 V CA -0.395 61.789 62.300 -0.193 0.000 0.830 1024 V CB 0.038 31.787 31.823 -0.123 0.000 1.012 1024 V HN 0.952 nan 8.190 nan 0.000 0.452 1025 C N 5.939 124.954 119.300 -0.474 0.000 2.365 1025 C HA 0.629 5.089 4.460 0.001 0.000 0.349 1025 C C -0.253 174.476 174.990 -0.434 0.000 1.191 1025 C CA -0.895 57.786 59.018 -0.560 0.000 2.114 1025 C CB 1.004 28.117 27.740 -1.044 0.000 2.367 1025 C HN 0.853 nan 8.230 nan 0.000 0.530 1026 F N 2.628 122.392 119.950 -0.310 0.000 2.577 1026 F HA 0.545 5.073 4.527 0.001 0.000 0.344 1026 F C 0.001 175.772 175.800 -0.048 0.000 1.145 1026 F CA -0.152 57.760 58.000 -0.146 0.000 0.996 1026 F CB 0.893 39.849 39.000 -0.074 0.000 1.248 1026 F HN 0.641 nan 8.300 nan 0.000 0.447 1027 S N 5.145 120.463 115.700 -0.637 0.000 2.519 1027 S HA 0.941 5.412 4.470 0.001 0.000 0.309 1027 S C -0.910 173.317 174.600 -0.621 0.000 1.100 1027 S CA -0.344 57.583 58.200 -0.454 0.000 1.059 1027 S CB 1.497 64.671 63.200 -0.042 0.000 1.008 1027 S HN 1.149 nan 8.310 nan 0.000 0.478 1028 A N 3.597 126.117 122.820 -0.499 0.000 2.393 1028 A HA 0.855 5.176 4.320 0.001 0.000 0.306 1028 A C -0.603 176.870 177.584 -0.184 0.000 1.050 1028 A CA -1.096 50.702 52.037 -0.397 0.000 0.724 1028 A CB 1.274 20.120 19.000 -0.256 0.000 1.248 1028 A HN 0.868 nan 8.150 nan 0.000 0.424 1029 R N 0.831 121.202 120.500 -0.215 0.000 2.437 1029 R HA 0.634 4.975 4.340 0.001 0.000 0.310 1029 R C -1.326 174.985 176.300 0.018 0.000 0.955 1029 R CA -0.507 55.544 56.100 -0.081 0.000 0.851 1029 R CB 1.952 32.197 30.300 -0.092 0.000 1.161 1029 R HN 0.520 nan 8.270 nan 0.000 0.446 1030 L N 2.318 123.625 121.223 0.141 0.000 2.362 1030 L HA 0.540 4.881 4.340 0.001 0.000 0.275 1030 L C -1.008 175.950 176.870 0.148 0.000 0.998 1030 L CA -0.508 54.484 54.840 0.253 0.000 0.820 1030 L CB 1.637 43.883 42.059 0.311 0.000 1.270 1030 L HN 0.642 nan 8.230 nan 0.000 0.415 1031 R N 3.878 124.465 120.500 0.144 0.000 2.545 1031 R HA 0.438 4.779 4.340 0.001 0.000 0.289 1031 R C -1.134 175.246 176.300 0.132 0.000 1.327 1031 R CA -0.354 55.809 56.100 0.105 0.000 1.040 1031 R CB 0.387 30.725 30.300 0.064 0.000 1.176 1031 R HN 0.928 nan 8.270 nan 0.000 0.518 1032 N N 1.975 120.772 118.700 0.163 0.000 3.061 1032 N HA 0.354 5.095 4.740 0.001 0.000 0.346 1032 N C -0.113 175.564 175.510 0.279 0.000 1.392 1032 N CA -0.507 52.648 53.050 0.177 0.000 0.762 1032 N CB 0.761 39.331 38.487 0.138 0.000 1.367 1032 N HN 0.221 nan 8.380 nan 0.000 0.607 1033 A N -1.584 121.348 122.820 0.187 0.000 2.423 1033 A HA 0.577 4.897 4.320 0.001 0.000 0.246 1033 A C 1.556 179.192 177.584 0.087 0.000 1.278 1033 A CA 0.322 52.414 52.037 0.091 0.000 0.903 1033 A CB -1.141 17.782 19.000 -0.127 0.000 0.997 1033 A HN 0.786 nan 8.150 nan 0.000 0.510 1034 A N 0.373 123.309 122.820 0.194 0.000 2.024 1034 A HA -0.067 4.253 4.320 0.001 0.000 0.220 1034 A C 1.805 179.455 177.584 0.111 0.000 1.164 1034 A CA 1.581 53.703 52.037 0.142 0.000 0.643 1034 A CB -0.979 18.100 19.000 0.131 0.000 0.806 1034 A HN 1.155 nan 8.150 nan 0.000 0.451 1035 F N -0.390 119.608 119.950 0.080 0.000 2.307 1035 F HA -0.100 4.428 4.527 0.001 0.000 0.301 1035 F C 1.589 177.429 175.800 0.067 0.000 1.076 1035 F CA 1.190 59.222 58.000 0.054 0.000 1.383 1035 F CB -0.568 38.453 39.000 0.035 0.000 1.055 1035 F HN 0.189 nan 8.300 nan 0.000 0.526 1036 I N -0.732 119.428 120.570 -0.684 0.000 2.400 1036 I HA 0.054 4.224 4.170 0.001 0.000 0.248 1036 I C 1.077 177.088 176.117 -0.177 0.000 1.109 1036 I CA 0.649 61.674 61.300 -0.459 0.000 1.425 1036 I CB -0.057 37.683 38.000 -0.432 0.000 1.094 1036 I HN 0.076 nan 8.210 nan 0.000 0.425 1037 R N 0.651 121.050 120.500 -0.169 0.000 2.643 1037 R HA 0.206 4.547 4.340 0.001 0.000 0.269 1037 R C -0.934 175.235 176.300 -0.218 0.000 1.037 1037 R CA -0.633 55.305 56.100 -0.270 0.000 0.894 1037 R CB 1.276 31.233 30.300 -0.572 0.000 1.238 1037 R HN -0.149 nan 8.270 nan 0.000 0.459 1038 N N 1.971 120.573 118.700 -0.164 0.000 2.968 1038 N HA 0.319 5.060 4.740 0.001 0.000 0.271 1038 N C -1.849 173.581 175.510 -0.133 0.000 1.174 1038 N CA 0.115 53.103 53.050 -0.103 0.000 1.096 1038 N CB 0.780 39.226 38.487 -0.068 0.000 1.403 1038 N HN 0.600 nan 8.380 nan 0.000 0.522 1039 A N 2.449 125.181 122.820 -0.146 0.000 2.486 1039 A HA 0.411 4.731 4.320 0.001 0.000 0.300 1039 A C 0.899 178.478 177.584 -0.009 0.000 1.048 1039 A CA -0.659 51.300 52.037 -0.131 0.000 0.696 1039 A CB 0.818 19.628 19.000 -0.318 0.000 1.278 1039 A HN 0.399 nan 8.150 nan 0.000 0.405 1040 L N 1.175 122.394 121.223 -0.006 0.000 2.012 1040 L HA -0.177 4.164 4.340 0.001 0.000 0.210 1040 L C 2.438 179.435 176.870 0.212 0.000 1.073 1040 L CA 1.568 56.390 54.840 -0.030 0.000 0.748 1040 L CB -0.455 41.362 42.059 -0.403 0.000 0.891 1040 L HN 0.861 nan 8.230 nan 0.000 0.431 1041 L N -0.953 120.531 121.223 0.436 0.000 2.079 1041 L HA -0.258 4.083 4.340 0.001 0.000 0.210 1041 L C 2.410 179.508 176.870 0.381 0.000 1.081 1041 L CA 1.882 57.014 54.840 0.487 0.000 0.752 1041 L CB -0.676 41.635 42.059 0.419 0.000 0.896 1041 L HN 0.118 nan 8.230 nan 0.000 0.433 1042 Y N 0.017 120.365 120.300 0.080 0.000 2.352 1042 Y HA -0.132 4.419 4.550 0.001 0.000 0.292 1042 Y C 2.443 178.369 175.900 0.043 0.000 1.136 1042 Y CA 0.922 59.040 58.100 0.031 0.000 1.227 1042 Y CB -0.604 37.842 38.460 -0.024 0.000 0.991 1042 Y HN 0.238 nan 8.280 nan 0.000 0.545 1043 K N 0.342 120.865 120.400 0.206 0.000 2.148 1043 K HA -0.076 4.245 4.320 0.001 0.000 0.204 1043 K C 1.436 178.100 176.600 0.107 0.000 1.050 1043 K CA 1.669 58.029 56.287 0.123 0.000 0.942 1043 K CB -0.286 32.254 32.500 0.066 0.000 0.724 1043 K HN 0.449 nan 8.250 nan 0.000 0.446 1044 I N -1.945 118.712 120.570 0.145 0.000 3.904 1044 I HA 0.136 4.306 4.170 0.001 0.000 0.333 1044 I C -0.359 175.840 176.117 0.136 0.000 1.361 1044 I CA -0.200 61.198 61.300 0.164 0.000 1.116 1044 I CB 0.544 38.699 38.000 0.258 0.000 1.028 1044 I HN -0.267 nan 8.210 nan 0.000 0.398 1045 T N 1.948 116.553 114.554 0.084 0.000 2.758 1045 T HA 0.758 5.108 4.350 0.001 0.000 0.285 1045 T C 0.314 175.025 174.700 0.019 0.000 0.981 1045 T CA 0.132 62.239 62.100 0.013 0.000 0.965 1045 T CB 1.664 70.485 68.868 -0.079 0.000 0.927 1045 T HN 0.690 nan 8.240 nan 0.000 0.448 1046 G N 3.485 112.291 108.800 0.011 0.000 2.480 1046 G HA2 0.340 4.301 3.960 0.001 0.000 0.109 1046 G HA3 0.340 4.301 3.960 0.001 0.000 0.109 1046 G C -2.134 172.787 174.900 0.034 0.000 1.172 1046 G CA -0.281 44.846 45.100 0.044 0.000 1.091 1046 G HN 0.789 nan 8.290 nan 0.000 0.464 1047 D N -1.194 119.251 120.400 0.075 0.000 2.602 1047 D HA 0.678 5.319 4.640 0.001 0.000 0.236 1047 D C -1.586 174.827 176.300 0.188 0.000 1.209 1047 D CA -0.644 53.405 54.000 0.082 0.000 0.831 1047 D CB 2.471 43.293 40.800 0.037 0.000 1.478 1047 D HN 0.926 nan 8.370 nan 0.000 0.438 1048 Y N 0.023 120.324 120.300 0.000 0.000 2.521 1048 Y HA 0.508 5.059 4.550 0.001 0.000 0.332 1048 Y C -2.283 173.624 175.900 0.013 0.000 1.121 1048 Y CA -0.629 57.487 58.100 0.027 0.000 1.037 1048 Y CB 1.801 40.302 38.460 0.069 0.000 1.330 1048 Y HN 0.432 nan 8.280 nan 0.000 0.452 1049 V N 5.035 124.665 119.914 -0.473 0.000 2.612 1049 V HA 0.668 4.788 4.120 0.001 0.000 0.301 1049 V C -1.066 174.639 176.094 -0.649 0.000 1.059 1049 V CA -0.326 61.719 62.300 -0.425 0.000 0.886 1049 V CB 1.714 33.396 31.823 -0.234 0.000 1.007 1049 V HN 0.855 nan 8.190 nan 0.000 0.426 1050 S N 4.033 119.397 115.700 -0.560 0.000 2.548 1050 S HA 0.856 5.327 4.470 0.001 0.000 0.286 1050 S C -1.132 173.332 174.600 -0.227 0.000 1.098 1050 S CA -0.976 56.941 58.200 -0.472 0.000 0.930 1050 S CB 2.541 65.554 63.200 -0.313 0.000 1.070 1050 S HN 0.617 nan 8.310 nan 0.000 0.480 1051 K N 1.485 121.728 120.400 -0.261 0.000 2.535 1051 K HA 0.534 4.854 4.320 0.001 0.000 0.250 1051 K C -1.770 174.853 176.600 0.038 0.000 0.948 1051 K CA -0.735 55.530 56.287 -0.038 0.000 0.796 1051 K CB 2.477 34.986 32.500 0.015 0.000 1.216 1051 K HN 0.504 nan 8.250 nan 0.000 0.432 1052 V N 5.033 125.040 119.914 0.154 0.000 2.333 1052 V HA 0.357 4.477 4.120 0.001 0.000 0.274 1052 V C -1.034 175.133 176.094 0.122 0.000 1.028 1052 V CA -0.454 61.933 62.300 0.145 0.000 0.851 1052 V CB -0.117 31.801 31.823 0.159 0.000 1.000 1052 V HN 0.653 nan 8.190 nan 0.000 0.456 1053 Y N 3.387 123.658 120.300 -0.048 0.000 2.605 1053 Y HA 0.902 5.453 4.550 0.001 0.000 0.343 1053 Y C -0.834 174.961 175.900 -0.176 0.000 1.036 1053 Y CA -1.645 56.388 58.100 -0.112 0.000 1.065 1053 Y CB 1.605 40.001 38.460 -0.107 0.000 1.288 1053 Y HN 0.166 nan 8.280 nan 0.000 0.481 1054 V N 2.156 121.990 119.914 -0.134 0.000 2.555 1054 V HA 0.529 4.650 4.120 0.001 0.000 0.302 1054 V C -0.773 175.208 176.094 -0.187 0.000 1.038 1054 V CA -0.610 61.471 62.300 -0.365 0.000 0.887 1054 V CB 1.524 32.755 31.823 -0.987 0.000 0.991 1054 V HN 0.882 nan 8.190 nan 0.000 0.434 1055 Q N 4.441 124.182 119.800 -0.098 0.000 2.418 1055 Q HA 0.489 4.829 4.340 0.001 0.000 0.282 1055 Q C -2.677 173.340 176.000 0.028 0.000 1.044 1055 Q CA -1.552 54.262 55.803 0.019 0.000 0.813 1055 Q CB 3.566 32.378 28.738 0.123 0.000 1.428 1055 Q HN 0.407 nan 8.270 nan 0.000 0.402 1056 P HA 0.316 nan 4.420 nan 0.000 0.330 1056 P C -0.204 177.123 177.300 0.045 0.000 1.434 1056 P CA 0.466 63.605 63.100 0.065 0.000 0.873 1056 P CB 0.536 32.279 31.700 0.072 0.000 2.146 1057 T N -4.552 110.026 114.554 0.040 0.000 3.694 1057 T HA 0.070 4.420 4.350 0.001 0.000 0.309 1057 T C 0.564 175.280 174.700 0.026 0.000 0.869 1057 T CA 0.643 62.761 62.100 0.030 0.000 1.060 1057 T CB -0.711 68.172 68.868 0.025 0.000 1.119 1057 T HN 0.212 nan 8.240 nan 0.000 0.576 1058 S N -0.654 115.063 115.700 0.028 0.000 3.220 1058 S HA -0.056 4.415 4.470 0.001 0.000 0.182 1058 S C 1.128 175.741 174.600 0.022 0.000 0.843 1058 S CA 0.611 58.825 58.200 0.023 0.000 0.980 1058 S CB -1.102 62.109 63.200 0.018 0.000 0.844 1058 S HN 0.264 nan 8.310 nan 0.000 0.645 1059 S N 1.966 117.680 115.700 0.023 0.000 2.559 1059 S HA -0.037 4.433 4.470 0.001 0.000 0.250 1059 S C 0.449 175.063 174.600 0.022 0.000 0.977 1059 S CA 0.873 59.085 58.200 0.021 0.000 0.958 1059 S CB -0.310 62.904 63.200 0.022 0.000 0.751 1059 S HN 0.417 nan 8.310 nan 0.000 0.534 1060 K N 0.718 121.133 120.400 0.026 0.000 4.418 1060 K HA -0.187 4.134 4.320 0.001 0.000 0.285 1060 K C 0.016 176.630 176.600 0.023 0.000 0.874 1060 K CA 0.644 56.946 56.287 0.025 0.000 0.844 1060 K CB -1.804 30.707 32.500 0.018 0.000 1.691 1060 K HN 0.485 nan 8.250 nan 0.000 0.433 1061 A N 1.752 124.590 122.820 0.030 0.000 2.488 1061 A HA 0.100 4.420 4.320 0.001 0.000 0.249 1061 A C 1.388 178.982 177.584 0.016 0.000 1.083 1061 A CA 0.167 52.219 52.037 0.025 0.000 0.768 1061 A CB 0.673 19.694 19.000 0.034 0.000 1.017 1061 A HN 0.562 nan 8.150 nan 0.000 0.496 1062 Q N 1.979 121.785 119.800 0.009 0.000 2.061 1062 Q HA 0.196 4.537 4.340 0.001 0.000 0.195 1062 Q C 0.178 176.175 176.000 -0.005 0.000 0.967 1062 Q CA 1.607 57.411 55.803 0.002 0.000 0.829 1062 Q CB 0.020 28.758 28.738 0.000 0.000 0.900 1062 Q HN 0.772 nan 8.270 nan 0.000 0.450 1063 I N -1.129 119.438 120.570 -0.004 0.000 3.174 1063 I HA 0.409 4.580 4.170 0.001 0.000 0.313 1063 I C -0.891 175.225 176.117 -0.002 0.000 1.155 1063 I CA -1.040 60.254 61.300 -0.010 0.000 0.977 1063 I CB 2.650 40.644 38.000 -0.010 0.000 1.248 1063 I HN -0.254 nan 8.210 nan 0.000 0.453 1064 T N 2.571 117.123 114.554 -0.004 0.000 2.965 1064 T HA 0.354 4.705 4.350 0.001 0.000 0.306 1064 T C -0.790 173.917 174.700 0.012 0.000 0.991 1064 T CA -0.738 61.367 62.100 0.007 0.000 1.001 1064 T CB 1.090 69.962 68.868 0.008 0.000 0.984 1064 T HN 0.397 nan 8.240 nan 0.000 0.446 1065 K N 2.275 122.687 120.400 0.019 0.000 2.206 1065 K HA 0.690 5.011 4.320 0.001 0.000 0.264 1065 K C -0.799 175.826 176.600 0.043 0.000 0.967 1065 K CA -0.863 55.441 56.287 0.029 0.000 0.844 1065 K CB 1.998 34.511 32.500 0.022 0.000 1.099 1065 K HN 0.266 nan 8.250 nan 0.000 0.441 1066 V N 2.492 122.448 119.914 0.070 0.000 2.357 1066 V HA 0.290 4.410 4.120 0.001 0.000 0.284 1066 V C -0.351 175.820 176.094 0.128 0.000 1.018 1066 V CA -0.707 61.639 62.300 0.077 0.000 0.841 1066 V CB 1.143 33.011 31.823 0.074 0.000 0.991 1066 V HN 0.798 nan 8.190 nan 0.000 0.437 1067 E N 4.468 124.725 120.200 0.095 0.000 2.224 1067 E HA 0.632 4.983 4.350 0.001 0.000 0.265 1067 E C -1.779 174.877 176.600 0.094 0.000 0.878 1067 E CA -0.626 55.847 56.400 0.121 0.000 0.759 1067 E CB 2.394 32.138 29.700 0.075 0.000 1.164 1067 E HN 0.678 nan 8.360 nan 0.000 0.414 1068 L N 3.351 124.653 121.223 0.130 0.000 2.342 1068 L HA 0.574 4.914 4.340 0.001 0.000 0.271 1068 L C -1.259 175.661 176.870 0.084 0.000 1.008 1068 L CA -0.624 54.259 54.840 0.072 0.000 0.818 1068 L CB 1.779 43.853 42.059 0.025 0.000 1.296 1068 L HN 0.568 nan 8.230 nan 0.000 0.427 1069 E N 3.778 124.007 120.200 0.049 0.000 2.343 1069 E HA 0.338 4.688 4.350 0.001 0.000 0.260 1069 E C -1.551 175.066 176.600 0.028 0.000 0.908 1069 E CA -0.301 56.125 56.400 0.042 0.000 0.814 1069 E CB 1.503 31.223 29.700 0.033 0.000 1.302 1069 E HN 0.629 nan 8.360 nan 0.000 0.408 1070 L N 3.148 124.388 121.223 0.029 0.000 2.721 1070 L HA 0.380 4.721 4.340 0.001 0.000 0.154 1070 L C 0.129 177.009 176.870 0.017 0.000 1.831 1070 L CA 0.328 55.179 54.840 0.019 0.000 2.816 1070 L CB 0.069 42.139 42.059 0.018 0.000 3.008 1070 L HN 0.964 nan 8.230 nan 0.000 0.696 1071 Q N -0.786 119.023 119.800 0.015 0.000 0.831 1071 Q HA -0.341 4.000 4.340 0.001 0.000 0.385 1071 Q C 0.484 176.491 176.000 0.011 0.000 1.056 1071 Q CA 1.112 56.923 55.803 0.013 0.000 0.406 1071 Q CB -1.707 27.040 28.738 0.016 0.000 5.334 1071 Q HN 0.665 nan 8.270 nan 0.000 0.421 1072 A N 0.287 123.113 122.820 0.010 0.000 1.972 1072 A HA 0.196 4.517 4.320 0.001 0.000 0.219 1072 A C 1.287 178.876 177.584 0.008 0.000 1.169 1072 A CA 1.784 53.826 52.037 0.008 0.000 0.635 1072 A CB -1.279 17.725 19.000 0.007 0.000 0.810 1072 A HN 1.061 nan 8.150 nan 0.000 0.446 1073 G N 0.000 108.806 108.800 0.010 0.000 5.446 1073 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 1073 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1073 G CA 0.000 45.106 45.100 0.010 0.000 0.502 1073 G HN 0.000 nan 8.290 nan 0.000 0.925