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 3f93_1_B DATA FIRST_RESID 5 DATA SEQUENCE QVNWPYVNTK LKRDPAVEAQ IEKLLAKMTI EQKVAQMIQP EIGYLTVEQM DATA SEQUENCE RKYGFGSYLN GGNXXXXXXX XXXQATWLKY ADEMYLAAMD STLDGIAIPT DATA SEQUENCE VWGTDAMHGH SNVYGATLFP HNIGLGAARD TDLIKRIGQA TAKEVAATGI DATA SEQUENCE EWSFAPTVAV VRDDRWGRTY ESYSEDPDLV KRYAGEMVTG IQGDVGADFL DATA SEQUENCE KGSNRIATAK HFVGDGGTER GVDRGNTLID EKGLRDIHSA GYFSAINQGV DATA SEQUENCE QSVMASFNSW NGKRVHGDKH LLTDVLKNQL GFDGFVVSDW NAHKFVEGcD DATA SEQUENCE LEQcAQAINA GVDVIMVPEH FEAFYHNTVK QVKAGVIAES RINDAVRRFL DATA SEQUENCE RAKIRWGVFT KSKPSARPES QHPQWLGAAE HRTLAREAVR KSLVLLKNNE DATA SEQUENCE SILPIKASSR ILVAGKGANA INMQAGGWSV SWQGTDNTNS DFPNATSIFS DATA SEQUENCE GLQSQVTKAG GKITLSESGE YTSKPDVAIV VIGEEPYAEW FGDIELLEFQ DATA SEQUENCE HETKHALALL KQLKADNIPV VTVFLSGRPL WVNKELNASD AFVAAWLPGS DATA SEQUENCE EGEGVADVLL TNKQGKTQFD FTGKLSFSWP KYDDQFTLNL NDADYDPLFA DATA SEQUENCE YGYGLTYQDN INVPVLSEKT SPXXXXXXXS HPLFVRSLAK NMTWQLADTS DATA SEQUENCE TQKVLASGAS ATSGDKQSLL MQSVNLSYQE DGRGFNWRAQ AALSLSYLEP DATA SEQUENCE TPLDSKFSTG YLELKMRIDK APEQGANLQV McSESNcLRD IDFSSFSQLM DATA SEQUENCE ADKSWHTLAI PLHcXXXXXX XQPITDALRI TSQNLSLAIA DVALTIKPSD DATA SEQUENCE DSISLTcAK 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 176.103 176.000 0.172 0.000 1.003 5 Q CA 0.000 55.892 55.803 0.149 0.000 1.022 5 Q CB 0.000 28.827 28.738 0.148 0.000 1.108 6 V N 2.835 122.902 119.914 0.256 0.000 2.567 6 V HA 0.418 4.538 4.120 0.000 0.000 0.289 6 V C -0.204 176.045 176.094 0.259 0.000 1.049 6 V CA -0.280 62.141 62.300 0.203 0.000 0.969 6 V CB 1.191 33.123 31.823 0.183 0.000 0.995 6 V HN 0.507 nan 8.190 nan 0.000 0.471 7 N N 3.205 121.969 118.700 0.107 0.000 2.420 7 N HA 0.267 5.007 4.740 0.000 0.000 0.249 7 N C -1.371 174.186 175.510 0.079 0.000 1.033 7 N CA -0.603 52.531 53.050 0.140 0.000 0.944 7 N CB 0.516 39.042 38.487 0.066 0.000 1.113 7 N HN 0.569 nan 8.380 nan 0.000 0.502 8 W N 4.920 126.255 121.300 0.059 0.000 2.469 8 W HA 0.393 5.053 4.660 0.000 0.000 0.320 8 W C -1.849 174.674 176.519 0.008 0.000 1.086 8 W CA -1.783 55.592 57.345 0.050 0.000 1.211 8 W CB 0.782 30.299 29.460 0.095 0.000 1.298 8 W HN 0.402 nan 8.180 nan 0.000 0.525 9 P HA -0.033 nan 4.420 nan 0.000 0.275 9 P C -1.114 176.249 177.300 0.104 0.000 1.227 9 P CA -0.275 62.827 63.100 0.003 0.000 0.781 9 P CB 0.662 32.214 31.700 -0.248 0.000 0.906 10 Y N 3.382 123.697 120.300 0.025 0.000 2.531 10 Y HA 0.142 4.692 4.550 0.000 0.000 0.347 10 Y C 1.277 177.196 175.900 0.032 0.000 1.024 10 Y CA 0.191 58.316 58.100 0.042 0.000 1.306 10 Y CB 0.287 38.766 38.460 0.031 0.000 1.149 10 Y HN 0.186 nan 8.280 nan 0.000 0.527 11 V N 1.697 121.383 119.914 -0.381 0.000 3.661 11 V HA 0.168 4.289 4.120 0.000 0.000 0.271 11 V C 0.671 176.593 176.094 -0.287 0.000 1.315 11 V CA 0.416 62.591 62.300 -0.208 0.000 1.072 11 V CB -0.003 31.820 31.823 0.001 0.000 0.830 11 V HN 0.702 nan 8.190 nan 0.000 0.443 12 N N 2.712 121.019 118.700 -0.655 0.000 3.254 12 N HA 0.098 4.838 4.740 0.000 0.000 0.308 12 N C 1.159 176.597 175.510 -0.120 0.000 1.281 12 N CA 0.853 53.691 53.050 -0.353 0.000 1.212 12 N CB -0.176 38.128 38.487 -0.305 0.000 1.478 12 N HN 0.730 nan 8.380 nan 0.000 0.548 13 T N -3.424 111.113 114.554 -0.028 0.000 3.040 13 T HA 0.173 4.523 4.350 0.000 0.000 0.250 13 T C 1.467 176.189 174.700 0.038 0.000 1.058 13 T CA 0.200 62.354 62.100 0.090 0.000 0.988 13 T CB 0.330 69.262 68.868 0.108 0.000 0.993 13 T HN 0.142 nan 8.240 nan 0.000 0.519 14 K N -0.060 120.338 120.400 -0.003 0.000 2.108 14 K HA 0.300 4.620 4.320 0.000 0.000 0.204 14 K C 0.386 176.943 176.600 -0.071 0.000 1.036 14 K CA -0.142 56.127 56.287 -0.030 0.000 0.965 14 K CB -0.062 32.417 32.500 -0.035 0.000 0.804 14 K HN 0.255 nan 8.250 nan 0.000 0.454 15 L N 3.061 124.223 121.223 -0.102 0.000 2.418 15 L HA 0.101 4.441 4.340 0.000 0.000 0.274 15 L C -0.970 175.838 176.870 -0.103 0.000 1.135 15 L CA 0.454 55.187 54.840 -0.178 0.000 0.870 15 L CB 0.538 42.469 42.059 -0.213 0.000 1.154 15 L HN -0.025 nan 8.230 nan 0.000 0.462 16 K N 5.626 125.960 120.400 -0.110 0.000 2.164 16 K HA 0.449 4.769 4.320 0.000 0.000 0.258 16 K C -0.236 176.332 176.600 -0.053 0.000 0.951 16 K CA -0.670 55.584 56.287 -0.055 0.000 0.844 16 K CB 1.414 33.892 32.500 -0.038 0.000 1.099 16 K HN 0.589 nan 8.250 nan 0.000 0.435 17 R N 0.842 121.330 120.500 -0.021 0.000 2.734 17 R HA 0.020 4.360 4.340 0.000 0.000 0.266 17 R C 0.170 176.473 176.300 0.005 0.000 1.044 17 R CA -0.102 55.997 56.100 -0.001 0.000 1.128 17 R CB 0.339 30.642 30.300 0.005 0.000 1.010 17 R HN 0.481 nan 8.270 nan 0.000 0.461 18 D N 2.393 122.807 120.400 0.023 0.000 2.313 18 D HA 0.132 4.772 4.640 0.000 0.000 0.239 18 D C -1.730 174.582 176.300 0.019 0.000 1.142 18 D CA -2.466 51.550 54.000 0.026 0.000 0.847 18 D CB 1.589 42.419 40.800 0.050 0.000 1.082 18 D HN 0.139 nan 8.370 nan 0.000 0.480 19 P HA -0.176 nan 4.420 nan 0.000 0.216 19 P C 0.857 178.160 177.300 0.005 0.000 1.154 19 P CA 1.679 64.782 63.100 0.006 0.000 0.865 19 P CB 0.273 31.975 31.700 0.003 0.000 0.789 20 A N -1.109 121.715 122.820 0.008 0.000 1.970 20 A HA -0.084 4.236 4.320 0.000 0.000 0.216 20 A C 2.315 179.902 177.584 0.004 0.000 1.170 20 A CA 1.217 53.255 52.037 0.002 0.000 0.645 20 A CB -1.475 17.527 19.000 0.004 0.000 0.816 20 A HN 0.019 nan 8.150 nan 0.000 0.447 21 V N 0.607 120.534 119.914 0.022 0.000 2.332 21 V HA -0.225 3.896 4.120 0.000 0.000 0.248 21 V C 2.501 178.607 176.094 0.020 0.000 1.055 21 V CA 2.210 64.531 62.300 0.035 0.000 1.038 21 V CB -0.616 31.242 31.823 0.059 0.000 0.651 21 V HN 0.546 nan 8.190 nan 0.000 0.450 22 E N 0.129 120.338 120.200 0.014 0.000 2.158 22 E HA -0.065 4.285 4.350 0.000 0.000 0.191 22 E C 2.341 178.939 176.600 -0.003 0.000 0.982 22 E CA 1.230 57.635 56.400 0.008 0.000 0.823 22 E CB -0.473 29.232 29.700 0.008 0.000 0.766 22 E HN 0.567 nan 8.360 nan 0.000 0.468 23 A N 1.627 124.441 122.820 -0.010 0.000 1.883 23 A HA -0.254 4.066 4.320 0.000 0.000 0.217 23 A C 2.171 179.733 177.584 -0.036 0.000 1.186 23 A CA 1.633 53.658 52.037 -0.021 0.000 0.624 23 A CB -0.557 18.430 19.000 -0.022 0.000 0.822 23 A HN 0.204 nan 8.150 nan 0.000 0.444 24 Q N -0.697 119.074 119.800 -0.048 0.000 2.119 24 Q HA -0.083 4.257 4.340 0.000 0.000 0.201 24 Q C 2.043 178.005 176.000 -0.064 0.000 0.972 24 Q CA 1.333 57.080 55.803 -0.093 0.000 0.847 24 Q CB -0.307 28.350 28.738 -0.135 0.000 0.903 24 Q HN 0.751 nan 8.270 nan 0.000 0.433 25 I N 0.948 121.508 120.570 -0.017 0.000 2.099 25 I HA -0.304 3.866 4.170 0.000 0.000 0.239 25 I C 2.212 178.329 176.117 -0.000 0.000 1.066 25 I CA 1.147 62.451 61.300 0.008 0.000 1.324 25 I CB -0.235 37.776 38.000 0.018 0.000 1.037 25 I HN 0.175 nan 8.210 nan 0.000 0.401 26 E N 0.663 120.859 120.200 -0.007 0.000 2.110 26 E HA -0.255 4.095 4.350 0.000 0.000 0.193 26 E C 1.997 178.589 176.600 -0.014 0.000 0.988 26 E CA 1.094 57.490 56.400 -0.006 0.000 0.804 26 E CB -0.319 29.377 29.700 -0.006 0.000 0.745 26 E HN 0.345 nan 8.360 nan 0.000 0.458 27 K N 0.609 120.991 120.400 -0.030 0.000 2.020 27 K HA -0.180 4.140 4.320 0.000 0.000 0.212 27 K C 2.030 178.610 176.600 -0.033 0.000 1.050 27 K CA 0.986 57.248 56.287 -0.041 0.000 0.929 27 K CB -0.258 32.199 32.500 -0.070 0.000 0.714 27 K HN -0.036 nan 8.250 nan 0.000 0.443 28 L N 0.823 122.025 121.223 -0.035 0.000 1.976 28 L HA -0.118 4.222 4.340 0.000 0.000 0.209 28 L C 2.268 179.148 176.870 0.015 0.000 1.071 28 L CA 1.566 56.403 54.840 -0.006 0.000 0.746 28 L CB -1.051 41.019 42.059 0.018 0.000 0.890 28 L HN 0.302 nan 8.230 nan 0.000 0.432 29 L N -0.801 120.434 121.223 0.020 0.000 2.051 29 L HA -0.316 4.024 4.340 0.000 0.000 0.214 29 L C 2.561 179.441 176.870 0.018 0.000 1.076 29 L CA 1.666 56.521 54.840 0.026 0.000 0.758 29 L CB -0.675 41.399 42.059 0.025 0.000 0.890 29 L HN 0.372 nan 8.230 nan 0.000 0.433 30 A N 0.852 123.677 122.820 0.008 0.000 1.948 30 A HA -0.249 4.071 4.320 0.000 0.000 0.220 30 A C 2.111 179.699 177.584 0.007 0.000 1.177 30 A CA 2.217 54.257 52.037 0.005 0.000 0.636 30 A CB -0.380 18.619 19.000 -0.002 0.000 0.815 30 A HN 0.646 nan 8.150 nan 0.000 0.449 31 K N -1.653 118.751 120.400 0.007 0.000 2.367 31 K HA 0.326 4.646 4.320 0.000 0.000 0.194 31 K C 0.376 176.986 176.600 0.017 0.000 1.027 31 K CA -0.106 56.186 56.287 0.009 0.000 1.075 31 K CB 0.006 32.508 32.500 0.004 0.000 0.845 31 K HN 0.408 nan 8.250 nan 0.000 0.529 32 M N 2.929 122.544 119.600 0.024 0.000 2.235 32 M HA 0.075 4.555 4.480 0.000 0.000 0.351 32 M C 0.255 176.575 176.300 0.033 0.000 1.178 32 M CA -0.413 54.908 55.300 0.035 0.000 1.143 32 M CB 1.468 34.097 32.600 0.047 0.000 1.530 32 M HN 0.179 nan 8.290 nan 0.000 0.461 33 T N -0.838 113.739 114.554 0.038 0.000 2.849 33 T HA 0.374 4.724 4.350 0.000 0.000 0.284 33 T C 1.141 175.868 174.700 0.045 0.000 1.004 33 T CA -0.743 61.379 62.100 0.037 0.000 1.021 33 T CB 0.695 69.586 68.868 0.038 0.000 1.013 33 T HN 0.598 nan 8.240 nan 0.000 0.527 34 I N 0.541 121.132 120.570 0.034 0.000 2.248 34 I HA -0.182 3.988 4.170 0.000 0.000 0.248 34 I C 2.594 178.739 176.117 0.047 0.000 1.107 34 I CA 1.504 62.822 61.300 0.029 0.000 1.373 34 I CB -0.484 37.519 38.000 0.005 0.000 1.055 34 I HN 0.704 nan 8.210 nan 0.000 0.418 35 E N 0.609 120.850 120.200 0.069 0.000 2.077 35 E HA -0.242 4.108 4.350 0.000 0.000 0.193 35 E C 2.218 178.955 176.600 0.228 0.000 0.989 35 E CA 1.170 57.661 56.400 0.152 0.000 0.800 35 E CB -0.166 29.653 29.700 0.198 0.000 0.746 35 E HN 0.499 nan 8.360 nan 0.000 0.452 36 Q N 0.301 120.185 119.800 0.141 0.000 2.079 36 Q HA -0.112 4.228 4.340 0.000 0.000 0.200 36 Q C 1.990 178.071 176.000 0.134 0.000 0.974 36 Q CA 1.268 57.144 55.803 0.121 0.000 0.840 36 Q CB -0.042 28.741 28.738 0.076 0.000 0.898 36 Q HN 0.153 nan 8.270 nan 0.000 0.430 37 K N -0.088 120.380 120.400 0.113 0.000 2.057 37 K HA -0.115 4.205 4.320 0.000 0.000 0.207 37 K C 2.043 178.722 176.600 0.132 0.000 1.049 37 K CA 1.309 57.661 56.287 0.108 0.000 0.931 37 K CB -0.071 32.474 32.500 0.075 0.000 0.714 37 K HN 0.023 nan 8.250 nan 0.000 0.440 38 V N 1.319 121.317 119.914 0.141 0.000 2.427 38 V HA -0.209 3.911 4.120 0.000 0.000 0.248 38 V C 2.288 178.565 176.094 0.306 0.000 1.051 38 V CA 1.869 64.265 62.300 0.161 0.000 1.048 38 V CB -0.546 31.293 31.823 0.027 0.000 0.666 38 V HN 0.346 nan 8.190 nan 0.000 0.456 39 A N -0.829 122.225 122.820 0.391 0.000 1.972 39 A HA -0.233 4.088 4.320 0.000 0.000 0.219 39 A C 2.146 179.892 177.584 0.269 0.000 1.169 39 A CA 1.378 53.620 52.037 0.343 0.000 0.635 39 A CB -0.391 18.684 19.000 0.125 0.000 0.810 39 A HN 0.509 nan 8.150 nan 0.000 0.446 40 Q N -0.843 119.085 119.800 0.213 0.000 2.226 40 Q HA -0.061 4.280 4.340 0.000 0.000 0.204 40 Q C 1.779 177.807 176.000 0.047 0.000 0.975 40 Q CA 1.390 57.324 55.803 0.217 0.000 0.866 40 Q CB -0.335 28.554 28.738 0.252 0.000 0.915 40 Q HN 0.807 nan 8.270 nan 0.000 0.440 41 M N -0.488 119.145 119.600 0.055 0.000 2.502 41 M HA 0.079 4.559 4.480 0.000 0.000 0.243 41 M C 0.024 176.304 176.300 -0.032 0.000 1.130 41 M CA 0.196 55.460 55.300 -0.060 0.000 1.055 41 M CB 0.641 33.258 32.600 0.029 0.000 1.457 41 M HN -0.113 nan 8.290 nan 0.000 0.488 42 I N 1.122 121.754 120.570 0.104 0.000 2.353 42 I HA 0.239 4.409 4.170 0.000 0.000 0.293 42 I C -0.117 175.958 176.117 -0.071 0.000 0.992 42 I CA -0.093 61.242 61.300 0.059 0.000 1.268 42 I CB 1.133 39.302 38.000 0.282 0.000 1.387 42 I HN 0.169 nan 8.210 nan 0.000 0.478 43 Q N 7.863 127.548 119.800 -0.192 0.000 2.401 43 Q HA 0.427 4.767 4.340 0.000 0.000 0.260 43 Q C -2.562 173.234 176.000 -0.340 0.000 1.034 43 Q CA -1.567 54.128 55.803 -0.181 0.000 0.737 43 Q CB 2.112 30.836 28.738 -0.023 0.000 1.227 43 Q HN 0.324 nan 8.270 nan 0.000 0.488 44 P HA 0.122 nan 4.420 nan 0.000 0.277 44 P C -0.882 176.217 177.300 -0.335 0.000 1.271 44 P CA -0.400 62.224 63.100 -0.793 0.000 0.795 44 P CB 0.794 31.441 31.700 -1.756 0.000 1.101 45 E N 0.526 120.608 120.200 -0.198 0.000 2.191 45 E HA 0.170 4.520 4.350 0.000 0.000 0.274 45 E C 1.178 177.824 176.600 0.077 0.000 0.948 45 E CA -0.550 55.883 56.400 0.055 0.000 0.802 45 E CB 1.273 31.069 29.700 0.160 0.000 1.137 45 E HN 0.382 nan 8.360 nan 0.000 0.397 46 I N 1.552 122.181 120.570 0.099 0.000 2.264 46 I HA -0.106 4.064 4.170 0.000 0.000 0.248 46 I C 1.880 177.949 176.117 -0.079 0.000 1.111 46 I CA 1.718 62.986 61.300 -0.054 0.000 1.382 46 I CB -0.616 37.273 38.000 -0.184 0.000 1.060 46 I HN 0.571 nan 8.210 nan 0.000 0.418 47 G N 0.687 109.451 108.800 -0.060 0.000 2.545 47 G HA2 -0.292 3.669 3.960 0.000 0.000 0.222 47 G HA3 -0.292 3.669 3.960 0.000 0.000 0.222 47 G C 1.216 175.943 174.900 -0.290 0.000 1.126 47 G CA 1.576 46.535 45.100 -0.234 0.000 0.754 47 G HN 0.663 nan 8.290 nan 0.000 0.583 48 Y N -1.431 118.904 120.300 0.057 0.000 2.481 48 Y HA 0.479 5.029 4.550 0.000 0.000 0.247 48 Y C 0.485 176.477 175.900 0.153 0.000 1.151 48 Y CA -0.959 57.217 58.100 0.127 0.000 1.238 48 Y CB 0.520 39.115 38.460 0.225 0.000 1.179 48 Y HN 0.082 nan 8.280 nan 0.000 0.524 49 L N 2.339 123.626 121.223 0.106 0.000 2.265 49 L HA 0.397 4.737 4.340 0.000 0.000 0.288 49 L C 0.405 177.281 176.870 0.010 0.000 1.058 49 L CA -0.396 54.420 54.840 -0.040 0.000 0.809 49 L CB 0.562 42.450 42.059 -0.286 0.000 1.179 49 L HN 0.155 nan 8.230 nan 0.000 0.429 50 T N 1.420 116.024 114.554 0.083 0.000 2.909 50 T HA 0.323 4.673 4.350 0.000 0.000 0.286 50 T C 1.413 176.125 174.700 0.020 0.000 1.002 50 T CA -0.600 61.535 62.100 0.059 0.000 1.074 50 T CB 1.352 70.274 68.868 0.090 0.000 0.984 50 T HN 0.334 nan 8.240 nan 0.000 0.495 51 V N 1.938 121.847 119.914 -0.009 0.000 2.278 51 V HA -0.172 3.948 4.120 0.000 0.000 0.251 51 V C 2.848 178.936 176.094 -0.010 0.000 1.062 51 V CA 2.002 64.281 62.300 -0.036 0.000 1.038 51 V CB -0.816 30.983 31.823 -0.039 0.000 0.646 51 V HN 0.867 nan 8.190 nan 0.000 0.447 52 E N -0.113 120.097 120.200 0.015 0.000 2.085 52 E HA -0.253 4.097 4.350 0.000 0.000 0.194 52 E C 2.273 178.908 176.600 0.058 0.000 0.994 52 E CA 1.425 57.839 56.400 0.024 0.000 0.801 52 E CB -0.400 29.319 29.700 0.032 0.000 0.743 52 E HN 0.715 nan 8.360 nan 0.000 0.453 53 Q N -0.413 119.470 119.800 0.138 0.000 2.084 53 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 53 Q C 2.161 178.306 176.000 0.241 0.000 0.978 53 Q CA 1.524 57.504 55.803 0.295 0.000 0.844 53 Q CB -0.208 28.779 28.738 0.415 0.000 0.898 53 Q HN 0.155 nan 8.270 nan 0.000 0.426 54 M N 0.603 120.275 119.600 0.120 0.000 2.213 54 M HA -0.153 4.327 4.480 0.000 0.000 0.263 54 M C 1.883 178.146 176.300 -0.061 0.000 1.062 54 M CA 1.596 56.915 55.300 0.031 0.000 1.105 54 M CB -0.103 32.461 32.600 -0.060 0.000 1.385 54 M HN -0.051 nan 8.290 nan 0.000 0.417 55 R N -0.361 120.107 120.500 -0.054 0.000 2.096 55 R HA -0.165 4.176 4.340 0.000 0.000 0.235 55 R C 2.300 178.516 176.300 -0.140 0.000 1.127 55 R CA 1.798 57.848 56.100 -0.084 0.000 0.968 55 R CB -0.172 30.092 30.300 -0.059 0.000 0.861 55 R HN 0.442 nan 8.270 nan 0.000 0.440 56 K N -1.168 119.129 120.400 -0.171 0.000 2.076 56 K HA -0.113 4.207 4.320 0.000 0.000 0.204 56 K C 1.312 177.552 176.600 -0.599 0.000 1.051 56 K CA 1.286 57.354 56.287 -0.365 0.000 0.949 56 K CB 0.075 32.328 32.500 -0.411 0.000 0.726 56 K HN 0.191 nan 8.250 nan 0.000 0.443 57 Y N -0.660 119.358 120.300 -0.469 0.000 2.479 57 Y HA 0.243 4.794 4.550 0.000 0.000 0.283 57 Y C 1.125 176.595 175.900 -0.717 0.000 1.109 57 Y CA 0.442 58.038 58.100 -0.840 0.000 1.239 57 Y CB 0.547 38.004 38.460 -1.671 0.000 1.108 57 Y HN 0.243 nan 8.280 nan 0.000 0.548 58 G N 1.198 109.756 108.800 -0.404 0.000 2.333 58 G HA2 -0.309 3.652 3.960 0.000 0.000 0.296 58 G HA3 -0.309 3.652 3.960 0.000 0.000 0.296 58 G C -0.375 174.428 174.900 -0.162 0.000 1.059 58 G CA -0.357 44.614 45.100 -0.215 0.000 1.050 58 G HN 0.129 nan 8.290 nan 0.000 0.508 59 F N -0.190 119.774 119.950 0.024 0.000 2.629 59 F HA 0.329 4.856 4.527 0.000 0.000 0.369 59 F C 1.941 177.804 175.800 0.106 0.000 1.125 59 F CA 1.047 59.070 58.000 0.038 0.000 1.330 59 F CB 0.481 39.461 39.000 -0.032 0.000 1.071 59 F HN 0.124 nan 8.300 nan 0.000 0.595 60 G N 0.896 109.909 108.800 0.355 0.000 2.509 60 G HA2 0.157 4.117 3.960 0.000 0.000 0.218 60 G HA3 0.157 4.117 3.960 0.000 0.000 0.218 60 G C -0.020 175.190 174.900 0.518 0.000 1.124 60 G CA 0.817 46.177 45.100 0.433 0.000 0.776 60 G HN 0.749 nan 8.290 nan 0.000 0.547 61 S N -1.622 114.328 115.700 0.417 0.000 2.578 61 S HA 0.612 5.082 4.470 0.000 0.000 0.272 61 S C -1.067 173.757 174.600 0.373 0.000 1.145 61 S CA -1.044 57.434 58.200 0.464 0.000 0.835 61 S CB 1.466 65.028 63.200 0.603 0.000 1.104 61 S HN 0.804 nan 8.310 nan 0.000 0.458 62 Y N 0.207 120.615 120.300 0.180 0.000 2.638 62 Y HA 0.912 5.463 4.550 0.000 0.000 0.339 62 Y C -1.422 174.598 175.900 0.201 0.000 1.084 62 Y CA -1.639 56.473 58.100 0.021 0.000 1.068 62 Y CB 0.692 39.052 38.460 -0.167 0.000 1.294 62 Y HN 0.832 nan 8.280 nan 0.000 0.480 63 L N 2.304 123.638 121.223 0.185 0.000 2.319 63 L HA 0.623 4.963 4.340 0.000 0.000 0.267 63 L C -1.333 175.809 176.870 0.452 0.000 1.011 63 L CA -0.602 54.398 54.840 0.266 0.000 0.818 63 L CB 2.097 44.281 42.059 0.208 0.000 1.316 63 L HN 0.943 nan 8.230 nan 0.000 0.432 64 N N 2.780 121.740 118.700 0.434 0.000 2.519 64 N HA 0.638 5.378 4.740 0.000 0.000 0.291 64 N C -0.798 174.900 175.510 0.314 0.000 1.107 64 N CA 0.416 53.725 53.050 0.431 0.000 0.904 64 N CB 1.963 40.759 38.487 0.515 0.000 1.500 64 N HN 1.002 nan 8.380 nan 0.000 0.510 65 G N 1.712 110.739 108.800 0.377 0.000 2.441 65 G HA2 0.199 4.159 3.960 0.000 0.000 0.222 65 G HA3 0.199 4.159 3.960 0.000 0.000 0.222 65 G C 0.260 175.314 174.900 0.257 0.000 1.254 65 G CA -0.004 45.329 45.100 0.389 0.000 0.959 65 G HN 0.651 nan 8.290 nan 0.000 0.474 66 G N -0.485 108.410 108.800 0.157 0.000 2.572 66 G HA2 0.351 4.311 3.960 0.000 0.000 0.144 66 G HA3 0.351 4.311 3.960 0.000 0.000 0.144 66 G C 0.524 175.437 174.900 0.022 0.000 1.747 66 G CA 1.247 46.353 45.100 0.011 0.000 1.007 66 G HN 1.675 nan 8.290 nan 0.000 0.452 79 A N 0.116 123.065 122.820 0.214 0.000 2.042 79 A HA -0.210 4.110 4.320 0.000 0.000 0.222 79 A C 1.768 179.459 177.584 0.178 0.000 1.167 79 A CA 2.927 55.063 52.037 0.165 0.000 0.649 79 A CB -0.461 18.596 19.000 0.095 0.000 0.809 79 A HN 0.672 nan 8.150 nan 0.000 0.457 80 T N -2.457 112.208 114.554 0.185 0.000 2.942 80 T HA -0.136 4.214 4.350 0.000 0.000 0.265 80 T C 1.494 176.307 174.700 0.188 0.000 1.062 80 T CA 1.435 63.594 62.100 0.098 0.000 1.139 80 T CB -0.357 68.528 68.868 0.029 0.000 0.883 80 T HN 0.642 nan 8.240 nan 0.000 0.468 81 W N 0.738 122.239 121.300 0.335 0.000 2.354 81 W HA 0.053 4.714 4.660 0.001 0.000 0.315 81 W C 2.118 178.935 176.519 0.498 0.000 1.206 81 W CA 0.034 57.647 57.345 0.447 0.000 1.290 81 W CB -0.901 28.692 29.460 0.221 0.000 1.152 81 W HN 0.202 nan 8.180 nan 0.000 0.489 82 L N 1.036 122.580 121.223 0.535 0.000 2.079 82 L HA -0.212 4.129 4.340 0.000 0.000 0.210 82 L C 2.442 179.488 176.870 0.293 0.000 1.081 82 L CA 1.701 56.765 54.840 0.374 0.000 0.752 82 L CB -1.383 40.818 42.059 0.238 0.000 0.896 82 L HN -0.027 nan 8.230 nan 0.000 0.433 83 K N -1.092 119.432 120.400 0.207 0.000 2.026 83 K HA -0.224 4.096 4.320 0.000 0.000 0.208 83 K C 2.296 178.895 176.600 -0.001 0.000 1.048 83 K CA 1.694 58.005 56.287 0.039 0.000 0.929 83 K CB -0.316 32.124 32.500 -0.098 0.000 0.713 83 K HN 0.247 nan 8.250 nan 0.000 0.439 84 Y N 0.718 121.082 120.300 0.107 0.000 2.163 84 Y HA -0.152 4.398 4.550 0.000 0.000 0.288 84 Y C 2.467 178.352 175.900 -0.024 0.000 1.136 84 Y CA 1.396 59.472 58.100 -0.040 0.000 1.147 84 Y CB -0.697 37.662 38.460 -0.168 0.000 0.987 84 Y HN 0.183 nan 8.280 nan 0.000 0.509 85 A N 0.306 123.386 122.820 0.434 0.000 1.873 85 A HA -0.269 4.051 4.320 0.000 0.000 0.218 85 A C 1.936 179.701 177.584 0.302 0.000 1.193 85 A CA 2.378 54.706 52.037 0.485 0.000 0.629 85 A CB -0.995 18.378 19.000 0.621 0.000 0.826 85 A HN 0.391 nan 8.150 nan 0.000 0.447 86 D N -0.666 119.866 120.400 0.220 0.000 2.087 86 D HA -0.126 4.514 4.640 0.000 0.000 0.192 86 D C 1.996 178.385 176.300 0.148 0.000 0.993 86 D CA 1.557 55.652 54.000 0.158 0.000 0.828 86 D CB -0.461 40.399 40.800 0.100 0.000 0.968 86 D HN 0.637 nan 8.370 nan 0.000 0.448 87 E N -0.553 119.686 120.200 0.066 0.000 2.086 87 E HA -0.209 4.141 4.350 0.000 0.000 0.200 87 E C 2.034 178.632 176.600 -0.002 0.000 1.012 87 E CA 1.069 57.474 56.400 0.008 0.000 0.812 87 E CB -0.012 29.651 29.700 -0.062 0.000 0.743 87 E HN 0.203 nan 8.360 nan 0.000 0.453 88 M N -0.728 118.848 119.600 -0.040 0.000 2.200 88 M HA -0.112 4.368 4.480 0.000 0.000 0.265 88 M C 2.137 178.436 176.300 -0.001 0.000 1.066 88 M CA 1.239 56.444 55.300 -0.159 0.000 1.127 88 M CB -0.938 31.324 32.600 -0.563 0.000 1.379 88 M HN 0.201 nan 8.290 nan 0.000 0.420 89 Y N 1.470 121.783 120.300 0.020 0.000 2.097 89 Y HA -0.224 4.327 4.550 0.000 0.000 0.282 89 Y C 2.133 178.046 175.900 0.022 0.000 1.152 89 Y CA 1.880 60.014 58.100 0.058 0.000 1.136 89 Y CB -0.394 38.127 38.460 0.103 0.000 0.975 89 Y HN 0.091 nan 8.280 nan 0.000 0.498 90 L N -0.236 121.087 121.223 0.167 0.000 2.093 90 L HA -0.181 4.159 4.340 0.000 0.000 0.208 90 L C 2.775 179.619 176.870 -0.043 0.000 1.085 90 L CA 1.011 55.887 54.840 0.060 0.000 0.755 90 L CB -0.963 41.168 42.059 0.119 0.000 0.904 90 L HN 0.351 nan 8.230 nan 0.000 0.435 91 A N 0.136 122.930 122.820 -0.043 0.000 1.933 91 A HA -0.121 4.199 4.320 0.000 0.000 0.218 91 A C 2.527 180.051 177.584 -0.099 0.000 1.175 91 A CA 1.652 53.648 52.037 -0.067 0.000 0.628 91 A CB -0.577 18.381 19.000 -0.071 0.000 0.814 91 A HN 0.388 nan 8.150 nan 0.000 0.444 92 A N -1.247 121.495 122.820 -0.131 0.000 1.929 92 A HA 0.006 4.327 4.320 0.000 0.000 0.216 92 A C 2.006 179.479 177.584 -0.185 0.000 1.176 92 A CA 1.612 53.559 52.037 -0.149 0.000 0.628 92 A CB -0.359 18.555 19.000 -0.144 0.000 0.816 92 A HN 0.392 nan 8.150 nan 0.000 0.444 93 M N 0.364 119.810 119.600 -0.257 0.000 2.562 93 M HA 0.039 4.520 4.480 0.000 0.000 0.257 93 M C 0.056 176.294 176.300 -0.104 0.000 1.099 93 M CA 0.250 55.417 55.300 -0.222 0.000 1.099 93 M CB -0.989 31.425 32.600 -0.311 0.000 1.427 93 M HN 0.254 nan 8.290 nan 0.000 0.489 94 D N 1.154 121.500 120.400 -0.090 0.000 2.338 94 D HA 0.064 4.705 4.640 0.000 0.000 0.255 94 D C 0.640 176.905 176.300 -0.060 0.000 1.237 94 D CA 0.145 54.109 54.000 -0.059 0.000 0.883 94 D CB 0.899 41.666 40.800 -0.055 0.000 1.087 94 D HN 0.191 nan 8.370 nan 0.000 0.485 95 S N 1.436 117.111 115.700 -0.041 0.000 2.597 95 S HA -0.009 4.461 4.470 0.000 0.000 0.224 95 S C 1.582 176.158 174.600 -0.040 0.000 0.955 95 S CA -0.291 57.886 58.200 -0.038 0.000 0.933 95 S CB 0.257 63.447 63.200 -0.017 0.000 0.788 95 S HN 0.375 nan 8.310 nan 0.000 0.488 96 T N 3.177 117.705 114.554 -0.044 0.000 2.652 96 T HA 0.015 4.365 4.350 0.000 0.000 0.267 96 T C 1.488 176.154 174.700 -0.056 0.000 1.039 96 T CA 1.766 63.840 62.100 -0.043 0.000 1.153 96 T CB -0.360 68.484 68.868 -0.040 0.000 0.863 96 T HN 0.388 nan 8.240 nan 0.000 0.428 97 L N 0.719 121.894 121.223 -0.080 0.000 2.221 97 L HA 0.090 4.430 4.340 0.000 0.000 0.202 97 L C 2.370 179.168 176.870 -0.120 0.000 1.074 97 L CA 0.826 55.603 54.840 -0.104 0.000 0.795 97 L CB -0.274 41.702 42.059 -0.138 0.000 0.960 97 L HN 0.298 nan 8.230 nan 0.000 0.458 98 D N -0.683 119.640 120.400 -0.129 0.000 2.354 98 D HA 0.013 4.653 4.640 0.000 0.000 0.209 98 D C 1.503 177.767 176.300 -0.060 0.000 1.015 98 D CA 0.969 54.897 54.000 -0.121 0.000 0.867 98 D CB 0.461 41.167 40.800 -0.156 0.000 0.933 98 D HN 0.263 nan 8.370 nan 0.000 0.520 99 G N 0.674 109.445 108.800 -0.049 0.000 2.175 99 G HA2 -0.240 3.720 3.960 0.000 0.000 0.244 99 G HA3 -0.240 3.720 3.960 0.000 0.000 0.244 99 G C 0.070 174.963 174.900 -0.011 0.000 0.982 99 G CA 0.319 45.404 45.100 -0.025 0.000 0.641 99 G HN 0.512 nan 8.290 nan 0.000 0.527 100 I N -0.284 120.278 120.570 -0.014 0.000 2.994 100 I HA 0.685 4.855 4.170 0.000 0.000 0.306 100 I C -0.384 175.734 176.117 0.002 0.000 1.195 100 I CA -0.804 60.500 61.300 0.007 0.000 1.001 100 I CB 2.048 40.063 38.000 0.026 0.000 1.244 100 I HN 0.382 nan 8.210 nan 0.000 0.437 101 A N 7.640 130.481 122.820 0.035 0.000 3.218 101 A HA 0.559 4.880 4.320 0.000 0.000 0.321 101 A C -0.656 176.966 177.584 0.063 0.000 1.012 101 A CA -0.295 51.755 52.037 0.022 0.000 0.948 101 A CB -0.455 18.566 19.000 0.036 0.000 1.050 101 A HN 0.480 nan 8.150 nan 0.000 0.492 102 I N 1.685 122.269 120.570 0.022 0.000 2.315 102 I HA 0.265 4.436 4.170 0.000 0.000 0.291 102 I C -2.348 173.655 176.117 -0.191 0.000 1.006 102 I CA -2.250 59.039 61.300 -0.019 0.000 1.265 102 I CB 1.785 39.826 38.000 0.069 0.000 1.387 102 I HN 0.221 nan 8.210 nan 0.000 0.475 103 P HA 0.008 nan 4.420 nan 0.000 0.267 103 P C 0.005 177.225 177.300 -0.135 0.000 1.205 103 P CA 0.113 63.002 63.100 -0.352 0.000 0.765 103 P CB 0.557 32.069 31.700 -0.313 0.000 0.828 104 T N 2.017 116.562 114.554 -0.015 0.000 2.816 104 T HA 0.464 4.814 4.350 0.000 0.000 0.282 104 T C -0.240 174.600 174.700 0.233 0.000 0.993 104 T CA -0.385 61.811 62.100 0.160 0.000 0.994 104 T CB 0.217 69.232 68.868 0.244 0.000 1.025 104 T HN 0.220 nan 8.240 nan 0.000 0.529 105 V N 0.553 120.635 119.914 0.281 0.000 2.962 105 V HA 0.706 4.826 4.120 0.000 0.000 0.313 105 V C -1.243 174.978 176.094 0.213 0.000 1.099 105 V CA -1.296 61.138 62.300 0.224 0.000 0.971 105 V CB 1.770 33.642 31.823 0.080 0.000 1.028 105 V HN 0.883 nan 8.190 nan 0.000 0.430 106 W N 2.244 123.448 121.300 -0.161 0.000 2.433 106 W HA 0.845 5.505 4.660 0.000 0.000 0.315 106 W C 0.271 176.659 176.519 -0.219 0.000 1.087 106 W CA -0.616 56.407 57.345 -0.536 0.000 1.205 106 W CB 1.544 30.734 29.460 -0.449 0.000 1.288 106 W HN 1.069 nan 8.180 nan 0.000 0.504 107 G N 2.461 111.302 108.800 0.068 0.000 2.452 107 G HA2 0.565 4.525 3.960 0.000 0.000 0.324 107 G HA3 0.565 4.525 3.960 0.000 0.000 0.324 107 G C -1.341 173.131 174.900 -0.714 0.000 1.214 107 G CA -0.341 44.494 45.100 -0.441 0.000 0.947 107 G HN 0.357 nan 8.290 nan 0.000 0.478 108 T N -0.102 113.737 114.554 -1.191 0.000 2.868 108 T HA 0.415 4.765 4.350 0.000 0.000 0.306 108 T C -1.558 172.419 174.700 -1.204 0.000 1.224 108 T CA -0.543 61.010 62.100 -0.913 0.000 1.012 108 T CB 2.001 70.585 68.868 -0.473 0.000 1.221 108 T HN 0.497 nan 8.240 nan 0.000 0.499 109 D N 1.813 121.939 120.400 -0.456 0.000 2.317 109 D HA 0.531 5.172 4.640 0.000 0.000 0.252 109 D C -0.208 176.049 176.300 -0.071 0.000 1.174 109 D CA -0.207 53.728 54.000 -0.109 0.000 0.866 109 D CB 0.911 41.798 40.800 0.144 0.000 1.127 109 D HN 0.624 nan 8.370 nan 0.000 0.467 110 A N 5.496 128.268 122.820 -0.079 0.000 3.079 110 A HA 0.168 4.488 4.320 0.000 0.000 0.315 110 A C 1.302 178.917 177.584 0.052 0.000 1.334 110 A CA -0.538 51.495 52.037 -0.008 0.000 1.048 110 A CB -0.110 18.841 19.000 -0.081 0.000 1.156 110 A HN 0.653 nan 8.150 nan 0.000 0.523 111 M N 0.827 120.493 119.600 0.110 0.000 2.086 111 M HA -0.100 4.381 4.480 0.000 0.000 0.261 111 M C 0.848 177.333 176.300 0.308 0.000 1.067 111 M CA 1.841 57.223 55.300 0.136 0.000 1.116 111 M CB -0.799 31.907 32.600 0.176 0.000 1.348 111 M HN 0.940 nan 8.290 nan 0.000 0.407 112 H N -2.342 116.800 119.070 0.121 0.000 2.600 112 H HA 0.535 5.092 4.556 0.000 0.000 0.224 112 H C 0.193 175.660 175.328 0.231 0.000 1.413 112 H CA -0.335 55.785 56.048 0.121 0.000 1.401 112 H CB -0.263 29.448 29.762 -0.085 0.000 1.772 112 H HN 0.403 nan 8.280 nan 0.000 0.528 113 G N 0.901 109.866 108.800 0.275 0.000 2.660 113 G HA2 -0.291 3.669 3.960 0.000 0.000 0.247 113 G HA3 -0.291 3.669 3.960 0.000 0.000 0.247 113 G C -0.743 174.228 174.900 0.119 0.000 1.328 113 G CA -0.459 44.802 45.100 0.269 0.000 0.884 113 G HN 0.825 nan 8.290 nan 0.000 0.531 114 H N 1.301 120.339 119.070 -0.053 0.000 3.220 114 H HA 0.340 4.897 4.556 0.000 0.000 0.225 114 H C 2.009 177.265 175.328 -0.121 0.000 1.869 114 H CA 0.439 56.408 56.048 -0.131 0.000 1.428 114 H CB -0.262 29.383 29.762 -0.195 0.000 1.792 114 H HN 0.594 nan 8.280 nan 0.000 0.595 115 S N 1.341 117.070 115.700 0.049 0.000 2.522 115 S HA -0.148 4.322 4.470 0.000 0.000 0.227 115 S C 1.316 175.965 174.600 0.082 0.000 0.986 115 S CA 0.382 58.592 58.200 0.016 0.000 0.929 115 S CB -0.041 63.232 63.200 0.122 0.000 0.769 115 S HN 0.792 nan 8.310 nan 0.000 0.529 116 N N 1.079 119.808 118.700 0.049 0.000 2.295 116 N HA 0.108 4.848 4.740 0.000 0.000 0.221 116 N C -0.526 174.987 175.510 0.005 0.000 1.129 116 N CA -0.152 52.955 53.050 0.094 0.000 0.836 116 N CB 0.406 39.022 38.487 0.215 0.000 1.040 116 N HN 0.204 nan 8.380 nan 0.000 0.494 117 V N 1.677 121.451 119.914 -0.233 0.000 2.513 117 V HA 0.174 4.295 4.120 0.000 0.000 0.299 117 V C -0.601 175.472 176.094 -0.035 0.000 1.035 117 V CA -1.007 61.142 62.300 -0.253 0.000 0.889 117 V CB 1.239 32.494 31.823 -0.946 0.000 0.988 117 V HN 0.174 nan 8.190 nan 0.000 0.440 118 Y N 3.520 123.820 120.300 -0.000 0.000 2.544 118 Y HA 0.421 4.972 4.550 0.000 0.000 0.330 118 Y C 1.319 177.208 175.900 -0.017 0.000 1.136 118 Y CA 1.150 59.251 58.100 0.002 0.000 1.417 118 Y CB 0.506 39.000 38.460 0.056 0.000 1.229 118 Y HN 0.976 nan 8.280 nan 0.000 0.532 119 G N 3.331 111.851 108.800 -0.468 0.000 2.179 119 G HA2 -0.266 3.695 3.960 0.000 0.000 0.260 119 G HA3 -0.266 3.695 3.960 0.000 0.000 0.260 119 G C 0.387 175.179 174.900 -0.180 0.000 0.977 119 G CA 0.077 44.964 45.100 -0.354 0.000 0.641 119 G HN 1.256 nan 8.290 nan 0.000 0.533 120 A N 0.311 123.039 122.820 -0.153 0.000 2.483 120 A HA 0.557 4.878 4.320 0.000 0.000 0.238 120 A C 0.912 178.401 177.584 -0.158 0.000 1.070 120 A CA 1.285 53.245 52.037 -0.128 0.000 0.770 120 A CB 0.172 19.078 19.000 -0.156 0.000 1.008 120 A HN 0.896 nan 8.150 nan 0.000 0.497 121 T N 2.938 117.385 114.554 -0.179 0.000 2.799 121 T HA 0.361 4.711 4.350 0.000 0.000 0.296 121 T C 0.028 174.428 174.700 -0.499 0.000 0.947 121 T CA 0.352 62.238 62.100 -0.358 0.000 1.141 121 T CB -0.269 68.323 68.868 -0.459 0.000 0.891 121 T HN 0.381 nan 8.240 nan 0.000 0.533 122 L N 4.806 125.732 121.223 -0.495 0.000 2.259 122 L HA 0.436 4.776 4.340 0.000 0.000 0.288 122 L C -0.086 176.475 176.870 -0.516 0.000 1.051 122 L CA -0.751 53.763 54.840 -0.543 0.000 0.824 122 L CB 0.071 41.858 42.059 -0.454 0.000 1.206 122 L HN 0.536 nan 8.230 nan 0.000 0.429 123 F N 3.508 123.338 119.950 -0.200 0.000 2.403 123 F HA 0.307 4.835 4.527 0.001 0.000 0.320 123 F C -1.616 174.176 175.800 -0.014 0.000 1.176 123 F CA -2.112 55.840 58.000 -0.080 0.000 1.206 123 F CB -0.262 38.712 39.000 -0.043 0.000 1.235 123 F HN 0.287 nan 8.300 nan 0.000 0.565 124 P HA -0.066 nan 4.420 nan 0.000 0.263 124 P C -0.307 177.100 177.300 0.179 0.000 1.175 124 P CA 0.476 63.673 63.100 0.162 0.000 0.761 124 P CB 0.202 32.015 31.700 0.189 0.000 0.794 125 H N 2.175 121.344 119.070 0.165 0.000 2.895 125 H HA 0.007 4.563 4.556 0.000 0.000 0.371 125 H C 1.553 176.963 175.328 0.137 0.000 1.219 125 H CA 0.788 56.898 56.048 0.103 0.000 1.431 125 H CB 0.233 29.999 29.762 0.007 0.000 1.414 125 H HN 0.527 nan 8.280 nan 0.000 0.617 126 N N 0.910 119.762 118.700 0.252 0.000 2.137 126 N HA -0.189 4.551 4.740 0.000 0.000 0.190 126 N C 2.029 177.669 175.510 0.216 0.000 1.017 126 N CA 0.939 54.072 53.050 0.139 0.000 0.859 126 N CB 0.060 38.334 38.487 -0.354 0.000 1.002 126 N HN 0.517 nan 8.380 nan 0.000 0.428 127 I N 1.202 121.846 120.570 0.123 0.000 2.118 127 I HA -0.246 3.924 4.170 0.000 0.000 0.241 127 I C 2.349 178.306 176.117 -0.267 0.000 1.070 127 I CA 1.646 62.928 61.300 -0.030 0.000 1.327 127 I CB -0.512 37.367 38.000 -0.202 0.000 1.034 127 I HN 0.124 nan 8.210 nan 0.000 0.405 128 G N 0.861 109.553 108.800 -0.180 0.000 2.476 128 G HA2 -0.273 3.687 3.960 0.000 0.000 0.218 128 G HA3 -0.273 3.687 3.960 0.000 0.000 0.218 128 G C 1.606 176.560 174.900 0.090 0.000 1.164 128 G CA 1.160 46.226 45.100 -0.057 0.000 0.768 128 G HN 0.469 nan 8.290 nan 0.000 0.560 129 L N 0.847 122.192 121.223 0.204 0.000 2.191 129 L HA 0.021 4.362 4.340 0.000 0.000 0.212 129 L C 3.121 180.214 176.870 0.372 0.000 1.103 129 L CA 0.764 55.780 54.840 0.292 0.000 0.769 129 L CB -0.659 41.627 42.059 0.378 0.000 0.908 129 L HN 0.338 nan 8.230 nan 0.000 0.438 130 G N -0.082 108.878 108.800 0.268 0.000 2.404 130 G HA2 -0.225 3.736 3.960 0.000 0.000 0.215 130 G HA3 -0.225 3.736 3.960 0.000 0.000 0.215 130 G C 1.817 176.716 174.900 -0.001 0.000 1.174 130 G CA 0.744 45.861 45.100 0.028 0.000 0.780 130 G HN 0.441 nan 8.290 nan 0.000 0.537 131 A N 1.287 124.108 122.820 0.002 0.000 1.940 131 A HA 0.174 4.494 4.320 0.000 0.000 0.219 131 A C 2.797 180.440 177.584 0.099 0.000 1.176 131 A CA 2.308 54.377 52.037 0.054 0.000 0.631 131 A CB -0.786 18.309 19.000 0.159 0.000 0.814 131 A HN 0.867 nan 8.150 nan 0.000 0.446 132 A N -1.139 121.760 122.820 0.131 0.000 1.978 132 A HA -0.104 4.217 4.320 0.000 0.000 0.220 132 A C 1.224 178.872 177.584 0.106 0.000 1.170 132 A CA 1.208 53.315 52.037 0.116 0.000 0.636 132 A CB -0.346 18.718 19.000 0.106 0.000 0.810 132 A HN 0.490 nan 8.150 nan 0.000 0.448 133 R N 0.040 120.637 120.500 0.161 0.000 3.251 133 R HA -0.151 4.189 4.340 0.000 0.000 0.249 133 R C -0.962 175.417 176.300 0.132 0.000 0.949 133 R CA 1.081 57.278 56.100 0.162 0.000 0.645 133 R CB -2.304 28.032 30.300 0.060 0.000 1.065 133 R HN 0.665 nan 8.270 nan 0.000 0.452 134 D N -0.233 120.228 120.400 0.102 0.000 2.402 134 D HA 0.153 4.794 4.640 0.000 0.000 0.252 134 D C 1.118 177.273 176.300 -0.241 0.000 1.294 134 D CA 0.144 54.113 54.000 -0.052 0.000 0.948 134 D CB 0.954 41.720 40.800 -0.058 0.000 1.202 134 D HN 0.198 nan 8.370 nan 0.000 0.561 135 T N 0.230 114.673 114.554 -0.186 0.000 2.904 135 T HA -0.146 4.204 4.350 0.000 0.000 0.267 135 T C 1.336 175.880 174.700 -0.260 0.000 1.059 135 T CA 0.815 62.741 62.100 -0.291 0.000 1.137 135 T CB 0.187 68.975 68.868 -0.134 0.000 0.879 135 T HN 0.193 nan 8.240 nan 0.000 0.467 136 D N 0.643 120.938 120.400 -0.174 0.000 2.224 136 D HA 0.010 4.650 4.640 0.000 0.000 0.205 136 D C 1.855 178.047 176.300 -0.181 0.000 0.965 136 D CA 0.187 54.096 54.000 -0.151 0.000 0.852 136 D CB -0.362 40.379 40.800 -0.098 0.000 0.947 136 D HN 0.261 nan 8.370 nan 0.000 0.494 137 L N 0.482 121.587 121.223 -0.197 0.000 1.994 137 L HA -0.145 4.195 4.340 0.000 0.000 0.208 137 L C 1.963 178.667 176.870 -0.277 0.000 1.071 137 L CA 1.482 56.202 54.840 -0.200 0.000 0.745 137 L CB -0.724 41.235 42.059 -0.165 0.000 0.892 137 L HN 0.043 nan 8.230 nan 0.000 0.431 138 I N 0.146 120.485 120.570 -0.385 0.000 2.087 138 I HA -0.379 3.791 4.170 0.000 0.000 0.240 138 I C 2.562 178.485 176.117 -0.322 0.000 1.054 138 I CA 1.794 62.834 61.300 -0.433 0.000 1.311 138 I CB -1.573 35.992 38.000 -0.725 0.000 1.024 138 I HN 0.451 nan 8.210 nan 0.000 0.402 139 K N 0.711 120.947 120.400 -0.275 0.000 2.063 139 K HA -0.180 4.140 4.320 0.000 0.000 0.208 139 K C 2.312 178.784 176.600 -0.213 0.000 1.048 139 K CA 1.431 57.595 56.287 -0.205 0.000 0.928 139 K CB -0.034 32.373 32.500 -0.156 0.000 0.713 139 K HN 0.242 nan 8.250 nan 0.000 0.442 140 R N 0.152 120.522 120.500 -0.218 0.000 2.120 140 R HA -0.086 4.255 4.340 0.000 0.000 0.234 140 R C 2.332 178.445 176.300 -0.311 0.000 1.123 140 R CA 1.363 57.333 56.100 -0.216 0.000 0.975 140 R CB -0.259 29.942 30.300 -0.165 0.000 0.866 140 R HN 0.279 nan 8.270 nan 0.000 0.446 141 I N -0.181 120.144 120.570 -0.409 0.000 2.353 141 I HA -0.138 4.033 4.170 0.000 0.000 0.248 141 I C 2.491 178.281 176.117 -0.545 0.000 1.119 141 I CA 1.208 62.090 61.300 -0.697 0.000 1.417 141 I CB -0.419 37.087 38.000 -0.823 0.000 1.078 141 I HN 0.274 nan 8.210 nan 0.000 0.421 142 G N -0.044 108.547 108.800 -0.349 0.000 2.418 142 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 142 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 142 G C 1.551 176.306 174.900 -0.241 0.000 1.158 142 G CA 0.437 45.391 45.100 -0.244 0.000 0.771 142 G HN 0.380 nan 8.290 nan 0.000 0.545 143 Q N 0.174 119.824 119.800 -0.250 0.000 2.084 143 Q HA 0.031 4.372 4.340 0.000 0.000 0.202 143 Q C 3.001 178.798 176.000 -0.337 0.000 0.978 143 Q CA 1.243 56.898 55.803 -0.248 0.000 0.844 143 Q CB -0.249 28.362 28.738 -0.213 0.000 0.898 143 Q HN 0.478 nan 8.270 nan 0.000 0.426 144 A N 0.470 123.040 122.820 -0.416 0.000 1.898 144 A HA -0.164 4.156 4.320 0.000 0.000 0.216 144 A C 2.250 179.558 177.584 -0.460 0.000 1.181 144 A CA 1.793 53.444 52.037 -0.644 0.000 0.620 144 A CB -0.873 17.746 19.000 -0.635 0.000 0.819 144 A HN 0.306 nan 8.150 nan 0.000 0.442 145 T N 0.467 114.847 114.554 -0.290 0.000 2.708 145 T HA -0.059 4.291 4.350 0.000 0.000 0.266 145 T C 2.216 176.806 174.700 -0.184 0.000 1.037 145 T CA 1.652 63.660 62.100 -0.153 0.000 1.146 145 T CB -0.493 68.289 68.868 -0.143 0.000 0.865 145 T HN 0.600 nan 8.240 nan 0.000 0.435 146 A N 1.512 124.209 122.820 -0.204 0.000 1.940 146 A HA -0.152 4.168 4.320 0.000 0.000 0.219 146 A C 2.263 179.751 177.584 -0.160 0.000 1.176 146 A CA 1.720 53.657 52.037 -0.166 0.000 0.631 146 A CB -0.437 18.479 19.000 -0.140 0.000 0.814 146 A HN 0.462 nan 8.150 nan 0.000 0.446 147 K N -0.464 119.777 120.400 -0.264 0.000 2.103 147 K HA -0.081 4.240 4.320 0.000 0.000 0.204 147 K C 1.988 178.611 176.600 0.038 0.000 1.052 147 K CA 1.339 57.419 56.287 -0.347 0.000 0.945 147 K CB -0.099 31.868 32.500 -0.889 0.000 0.722 147 K HN 0.589 nan 8.250 nan 0.000 0.443 148 E N 0.383 120.596 120.200 0.022 0.000 2.072 148 E HA -0.147 4.203 4.350 0.000 0.000 0.191 148 E C 2.072 178.695 176.600 0.038 0.000 0.985 148 E CA 1.224 57.703 56.400 0.132 0.000 0.801 148 E CB -0.008 29.777 29.700 0.143 0.000 0.750 148 E HN 0.060 nan 8.360 nan 0.000 0.452 149 V N 1.873 121.654 119.914 -0.221 0.000 2.295 149 V HA -0.272 3.848 4.120 0.000 0.000 0.246 149 V C 2.521 178.506 176.094 -0.182 0.000 1.049 149 V CA 1.828 63.802 62.300 -0.544 0.000 1.024 149 V CB -0.973 30.477 31.823 -0.622 0.000 0.648 149 V HN 0.269 nan 8.190 nan 0.000 0.447 150 A N 0.431 123.251 122.820 -0.000 0.000 1.927 150 A HA -0.252 4.068 4.320 0.000 0.000 0.220 150 A C 2.415 180.129 177.584 0.217 0.000 1.185 150 A CA 2.549 54.689 52.037 0.172 0.000 0.639 150 A CB -0.980 18.211 19.000 0.319 0.000 0.820 150 A HN 0.664 nan 8.150 nan 0.000 0.451 151 A N -0.675 122.309 122.820 0.274 0.000 2.076 151 A HA -0.059 4.261 4.320 0.000 0.000 0.220 151 A C 2.146 179.811 177.584 0.135 0.000 1.160 151 A CA 2.238 54.414 52.037 0.232 0.000 0.653 151 A CB -1.091 18.082 19.000 0.289 0.000 0.801 151 A HN 0.886 nan 8.150 nan 0.000 0.455 152 T N -4.634 109.964 114.554 0.074 0.000 3.086 152 T HA 0.416 4.767 4.350 0.000 0.000 0.250 152 T C 1.249 176.060 174.700 0.185 0.000 1.074 152 T CA 0.930 63.072 62.100 0.070 0.000 0.988 152 T CB 0.012 68.743 68.868 -0.228 0.000 0.988 152 T HN 1.645 nan 8.240 nan 0.000 0.530 153 G N 1.555 110.454 108.800 0.165 0.000 2.160 153 G HA2 -0.216 3.744 3.960 0.000 0.000 0.251 153 G HA3 -0.216 3.744 3.960 0.000 0.000 0.251 153 G C -0.070 174.958 174.900 0.214 0.000 1.008 153 G CA 0.067 45.302 45.100 0.226 0.000 0.724 153 G HN 0.669 nan 8.290 nan 0.000 0.514 154 I N -0.010 120.574 120.570 0.022 0.000 2.331 154 I HA 0.367 4.537 4.170 0.000 0.000 0.292 154 I C 1.122 177.167 176.117 -0.119 0.000 0.998 154 I CA -0.797 60.441 61.300 -0.103 0.000 1.267 154 I CB 1.477 39.221 38.000 -0.426 0.000 1.386 154 I HN 0.069 nan 8.210 nan 0.000 0.476 155 E N 4.204 124.309 120.200 -0.157 0.000 2.318 155 E HA -0.037 4.313 4.350 0.000 0.000 0.193 155 E C -0.590 175.851 176.600 -0.265 0.000 0.998 155 E CA 0.439 56.583 56.400 -0.427 0.000 0.859 155 E CB 0.235 29.312 29.700 -1.038 0.000 0.812 155 E HN 0.540 nan 8.360 nan 0.000 0.492 156 W N 2.037 123.135 121.300 -0.337 0.000 2.499 156 W HA 0.449 5.109 4.660 0.000 0.000 0.320 156 W C -0.959 175.377 176.519 -0.306 0.000 1.010 156 W CA -1.814 55.395 57.345 -0.227 0.000 1.267 156 W CB 0.948 30.373 29.460 -0.057 0.000 1.316 156 W HN -0.164 nan 8.180 nan 0.000 0.431 157 S N 4.776 120.441 115.700 -0.058 0.000 2.509 157 S HA 0.645 5.116 4.470 0.000 0.000 0.297 157 S C -0.765 173.756 174.600 -0.132 0.000 1.118 157 S CA -0.674 57.334 58.200 -0.319 0.000 1.074 157 S CB 0.966 64.033 63.200 -0.221 0.000 1.038 157 S HN 0.340 nan 8.310 nan 0.000 0.498 158 F N 2.257 122.080 119.950 -0.212 0.000 2.368 158 F HA 0.636 5.163 4.527 0.000 0.000 0.362 158 F C 0.832 176.555 175.800 -0.128 0.000 1.137 158 F CA -0.279 57.617 58.000 -0.172 0.000 1.161 158 F CB 0.423 39.289 39.000 -0.222 0.000 1.265 158 F HN 0.994 nan 8.300 nan 0.000 0.530 159 A N 4.799 127.674 122.820 0.091 0.000 2.586 159 A HA 0.536 4.856 4.320 0.000 0.000 0.298 159 A C -3.105 174.493 177.584 0.024 0.000 1.013 159 A CA -1.253 50.795 52.037 0.018 0.000 0.707 159 A CB 1.256 20.256 19.000 -0.000 0.000 1.276 159 A HN 0.293 nan 8.150 nan 0.000 0.414 160 P HA 0.476 nan 4.420 nan 0.000 0.278 160 P C -0.322 176.920 177.300 -0.097 0.000 1.258 160 P CA -0.003 63.094 63.100 -0.005 0.000 0.811 160 P CB 0.834 32.598 31.700 0.107 0.000 1.063 161 T N 0.669 115.132 114.554 -0.151 0.000 2.749 161 T HA 0.232 4.582 4.350 0.000 0.000 0.295 161 T C 0.999 175.590 174.700 -0.181 0.000 0.936 161 T CA -0.245 61.744 62.100 -0.186 0.000 1.060 161 T CB 0.088 68.844 68.868 -0.188 0.000 0.904 161 T HN 0.322 nan 8.240 nan 0.000 0.500 162 V N 0.679 120.501 119.914 -0.154 0.000 3.121 162 V HA 0.655 4.775 4.120 0.000 0.000 0.344 162 V C 0.949 177.022 176.094 -0.034 0.000 1.390 162 V CA -0.855 61.368 62.300 -0.129 0.000 1.177 162 V CB -0.926 30.696 31.823 -0.336 0.000 1.163 162 V HN 0.897 nan 8.190 nan 0.000 0.484 163 A N 0.531 123.390 122.820 0.065 0.000 2.555 163 A HA 0.487 4.807 4.320 0.000 0.000 0.233 163 A C 0.091 177.772 177.584 0.161 0.000 1.060 163 A CA 0.493 52.644 52.037 0.190 0.000 0.759 163 A CB 0.277 19.499 19.000 0.371 0.000 0.995 163 A HN 0.880 nan 8.150 nan 0.000 0.506 164 V N 4.073 124.099 119.914 0.186 0.000 2.349 164 V HA 0.283 4.403 4.120 0.000 0.000 0.284 164 V C -0.192 176.022 176.094 0.201 0.000 1.014 164 V CA -0.490 61.870 62.300 0.100 0.000 0.826 164 V CB 1.203 32.995 31.823 -0.053 0.000 1.009 164 V HN 0.629 nan 8.190 nan 0.000 0.431 165 V N 6.820 126.901 119.914 0.278 0.000 2.407 165 V HA 0.454 4.574 4.120 0.000 0.000 0.278 165 V C 0.953 177.256 176.094 0.350 0.000 1.037 165 V CA -0.459 62.091 62.300 0.417 0.000 0.900 165 V CB 1.609 33.801 31.823 0.616 0.000 0.983 165 V HN 0.789 nan 8.190 nan 0.000 0.459 166 R N 1.866 122.531 120.500 0.276 0.000 2.307 166 R HA 0.274 4.614 4.340 0.000 0.000 0.200 166 R C -0.053 176.379 176.300 0.220 0.000 0.893 166 R CA 0.052 56.278 56.100 0.209 0.000 1.042 166 R CB 0.375 30.778 30.300 0.171 0.000 1.059 166 R HN 0.688 nan 8.270 nan 0.000 0.530 167 D N 0.735 121.276 120.400 0.234 0.000 2.602 167 D HA 0.114 4.754 4.640 0.000 0.000 0.245 167 D C -0.546 175.905 176.300 0.251 0.000 1.325 167 D CA -0.249 53.883 54.000 0.219 0.000 0.952 167 D CB 1.305 42.190 40.800 0.141 0.000 1.317 167 D HN -0.247 nan 8.370 nan 0.000 0.577 168 D N 2.256 122.803 120.400 0.245 0.000 2.390 168 D HA -0.008 4.632 4.640 0.000 0.000 0.235 168 D C 1.624 178.029 176.300 0.175 0.000 1.040 168 D CA 0.277 54.392 54.000 0.192 0.000 0.923 168 D CB 0.250 41.128 40.800 0.130 0.000 0.886 168 D HN 0.382 nan 8.370 nan 0.000 0.532 169 R N -0.614 119.994 120.500 0.180 0.000 2.189 169 R HA -0.050 4.290 4.340 0.000 0.000 0.218 169 R C 0.538 176.926 176.300 0.145 0.000 1.074 169 R CA -0.058 56.108 56.100 0.110 0.000 0.991 169 R CB 0.060 30.364 30.300 0.008 0.000 0.883 169 R HN 0.153 nan 8.270 nan 0.000 0.457 170 W N 1.227 122.520 121.300 -0.011 0.000 2.251 170 W HA 0.077 4.737 4.660 0.000 0.000 0.327 170 W C 1.113 177.622 176.519 -0.017 0.000 1.361 170 W CA -0.699 56.639 57.345 -0.011 0.000 1.234 170 W CB 0.506 29.978 29.460 0.019 0.000 1.212 170 W HN 0.056 nan 8.180 nan 0.000 0.557 171 G N 4.748 113.443 108.800 -0.176 0.000 2.708 171 G HA2 -0.158 3.802 3.960 0.000 0.000 0.210 171 G HA3 -0.158 3.802 3.960 0.000 0.000 0.210 171 G C 1.084 175.726 174.900 -0.429 0.000 1.141 171 G CA 0.173 45.105 45.100 -0.279 0.000 0.788 171 G HN 0.565 nan 8.290 nan 0.000 0.531 172 R N -0.861 118.967 120.500 -1.121 0.000 2.535 172 R HA 0.121 4.461 4.340 0.000 0.000 0.323 172 R C 1.820 177.497 176.300 -1.038 0.000 0.979 172 R CA 0.164 55.427 56.100 -1.396 0.000 1.120 172 R CB 0.070 29.230 30.300 -1.900 0.000 1.306 172 R HN 0.109 nan 8.270 nan 0.000 0.540 173 T N 1.207 115.470 114.554 -0.485 0.000 2.714 173 T HA -0.245 4.105 4.350 0.000 0.000 0.268 173 T C 1.493 176.070 174.700 -0.205 0.000 1.036 173 T CA 2.034 64.055 62.100 -0.131 0.000 1.148 173 T CB -0.307 68.528 68.868 -0.055 0.000 0.856 173 T HN 0.518 nan 8.240 nan 0.000 0.462 174 Y N 1.159 121.325 120.300 -0.222 0.000 2.519 174 Y HA 0.307 4.858 4.550 0.000 0.000 0.287 174 Y C 1.721 177.493 175.900 -0.213 0.000 1.128 174 Y CA 0.009 57.977 58.100 -0.222 0.000 1.282 174 Y CB -0.746 37.570 38.460 -0.239 0.000 1.027 174 Y HN 0.225 nan 8.280 nan 0.000 0.551 175 E N 0.774 120.652 120.200 -0.537 0.000 2.515 175 E HA -0.036 4.314 4.350 0.000 0.000 0.201 175 E C 0.272 176.728 176.600 -0.240 0.000 1.071 175 E CA 0.551 56.726 56.400 -0.376 0.000 0.880 175 E CB 0.062 29.458 29.700 -0.507 0.000 0.828 175 E HN 0.277 nan 8.360 nan 0.000 0.540 176 S N -0.767 114.870 115.700 -0.105 0.000 2.475 176 S HA 0.192 4.662 4.470 0.000 0.000 0.298 176 S C 0.293 174.965 174.600 0.120 0.000 1.119 176 S CA -0.722 57.489 58.200 0.020 0.000 1.085 176 S CB 0.545 63.923 63.200 0.297 0.000 1.028 176 S HN 0.041 nan 8.310 nan 0.000 0.489 177 Y N 2.856 123.238 120.300 0.136 0.000 2.314 177 Y HA 0.218 4.769 4.550 0.001 0.000 0.293 177 Y C 1.635 177.525 175.900 -0.017 0.000 1.129 177 Y CA 0.707 58.837 58.100 0.049 0.000 1.201 177 Y CB -0.017 38.379 38.460 -0.106 0.000 0.999 177 Y HN 0.577 nan 8.280 nan 0.000 0.541 178 S N -1.699 113.998 115.700 -0.007 0.000 2.587 178 S HA 0.187 4.657 4.470 0.000 0.000 0.269 178 S C 0.333 174.449 174.600 -0.806 0.000 1.154 178 S CA -0.410 57.447 58.200 -0.571 0.000 0.824 178 S CB 0.894 63.938 63.200 -0.260 0.000 1.118 178 S HN 0.378 nan 8.310 nan 0.000 0.462 179 E N 0.633 120.174 120.200 -1.099 0.000 2.435 179 E HA 0.044 4.394 4.350 0.000 0.000 0.195 179 E C -0.190 176.211 176.600 -0.330 0.000 1.029 179 E CA 0.283 56.380 56.400 -0.506 0.000 0.865 179 E CB 0.010 29.522 29.700 -0.312 0.000 0.833 179 E HN 0.388 nan 8.360 nan 0.000 0.510 180 D N 1.764 121.949 120.400 -0.358 0.000 2.317 180 D HA 0.112 4.752 4.640 0.000 0.000 0.234 180 D C -1.527 174.635 176.300 -0.230 0.000 1.112 180 D CA -2.877 50.914 54.000 -0.349 0.000 0.840 180 D CB 1.685 42.178 40.800 -0.513 0.000 1.078 180 D HN -0.210 nan 8.370 nan 0.000 0.486 181 P HA -0.184 nan 4.420 nan 0.000 0.216 181 P C 0.606 177.840 177.300 -0.110 0.000 1.157 181 P CA 1.108 64.117 63.100 -0.152 0.000 0.880 181 P CB 0.361 31.972 31.700 -0.149 0.000 0.791 182 D N -0.403 119.933 120.400 -0.107 0.000 2.133 182 D HA -0.152 4.488 4.640 0.000 0.000 0.195 182 D C 2.095 178.357 176.300 -0.063 0.000 0.997 182 D CA 0.775 54.739 54.000 -0.061 0.000 0.840 182 D CB -1.025 39.739 40.800 -0.060 0.000 0.947 182 D HN 0.160 nan 8.370 nan 0.000 0.452 183 L N 0.162 121.324 121.223 -0.103 0.000 2.056 183 L HA -0.145 4.195 4.340 0.000 0.000 0.207 183 L C 2.122 178.838 176.870 -0.257 0.000 1.078 183 L CA 0.875 55.602 54.840 -0.189 0.000 0.749 183 L CB -0.026 41.905 42.059 -0.214 0.000 0.901 183 L HN -0.093 nan 8.230 nan 0.000 0.433 184 V N 0.130 119.952 119.914 -0.153 0.000 2.407 184 V HA -0.314 3.806 4.120 0.000 0.000 0.248 184 V C 2.563 178.654 176.094 -0.006 0.000 1.055 184 V CA 2.083 64.363 62.300 -0.032 0.000 1.049 184 V CB -0.655 31.176 31.823 0.014 0.000 0.662 184 V HN 0.467 nan 8.190 nan 0.000 0.455 185 K N 0.031 120.417 120.400 -0.023 0.000 2.057 185 K HA -0.171 4.149 4.320 0.000 0.000 0.207 185 K C 2.416 179.043 176.600 0.045 0.000 1.049 185 K CA 1.363 57.661 56.287 0.018 0.000 0.931 185 K CB -0.091 32.439 32.500 0.051 0.000 0.714 185 K HN 0.372 nan 8.250 nan 0.000 0.440 186 R N -0.801 119.725 120.500 0.043 0.000 2.096 186 R HA -0.140 4.200 4.340 0.000 0.000 0.235 186 R C 2.182 178.573 176.300 0.153 0.000 1.127 186 R CA 1.296 57.450 56.100 0.089 0.000 0.968 186 R CB -0.244 30.116 30.300 0.099 0.000 0.861 186 R HN 0.261 nan 8.270 nan 0.000 0.440 187 Y N 0.374 120.564 120.300 -0.184 0.000 2.206 187 Y HA 0.035 4.586 4.550 0.000 0.000 0.292 187 Y C 2.520 178.307 175.900 -0.188 0.000 1.123 187 Y CA 0.289 58.195 58.100 -0.323 0.000 1.142 187 Y CB -0.942 37.034 38.460 -0.807 0.000 1.006 187 Y HN 0.030 nan 8.280 nan 0.000 0.518 188 A N 0.208 123.078 122.820 0.083 0.000 1.903 188 A HA -0.220 4.101 4.320 0.000 0.000 0.219 188 A C 2.626 180.225 177.584 0.026 0.000 1.191 188 A CA 2.205 54.284 52.037 0.070 0.000 0.638 188 A CB -1.511 17.496 19.000 0.012 0.000 0.823 188 A HN 0.476 nan 8.150 nan 0.000 0.451 189 G N -0.819 107.994 108.800 0.022 0.000 2.432 189 G HA2 -0.164 3.796 3.960 0.000 0.000 0.219 189 G HA3 -0.164 3.796 3.960 0.000 0.000 0.219 189 G C 1.398 176.295 174.900 -0.005 0.000 1.135 189 G CA 0.987 46.100 45.100 0.022 0.000 0.767 189 G HN 0.536 nan 8.290 nan 0.000 0.550 190 E N -0.060 120.111 120.200 -0.047 0.000 2.047 190 E HA -0.089 4.261 4.350 0.000 0.000 0.191 190 E C 2.385 178.927 176.600 -0.096 0.000 0.987 190 E CA 0.908 57.251 56.400 -0.095 0.000 0.799 190 E CB -0.425 29.165 29.700 -0.182 0.000 0.752 190 E HN 0.410 nan 8.360 nan 0.000 0.449 191 M N 0.903 120.449 119.600 -0.091 0.000 2.108 191 M HA -0.135 4.345 4.480 0.000 0.000 0.261 191 M C 2.204 178.488 176.300 -0.028 0.000 1.066 191 M CA 1.103 56.366 55.300 -0.063 0.000 1.107 191 M CB -0.374 32.233 32.600 0.011 0.000 1.356 191 M HN -0.092 nan 8.290 nan 0.000 0.406 192 V N 0.067 119.985 119.914 0.005 0.000 2.255 192 V HA -0.332 3.788 4.120 0.000 0.000 0.247 192 V C 2.460 178.577 176.094 0.039 0.000 1.051 192 V CA 2.440 64.762 62.300 0.036 0.000 1.018 192 V CB -1.665 30.197 31.823 0.066 0.000 0.641 192 V HN 0.761 nan 8.190 nan 0.000 0.445 193 T N -1.780 112.794 114.554 0.033 0.000 2.915 193 T HA -0.048 4.302 4.350 0.000 0.000 0.269 193 T C 1.936 176.628 174.700 -0.012 0.000 1.071 193 T CA 1.287 63.410 62.100 0.038 0.000 1.132 193 T CB -0.668 68.223 68.868 0.038 0.000 0.878 193 T HN 0.486 nan 8.240 nan 0.000 0.479 194 G N 1.693 110.461 108.800 -0.052 0.000 2.421 194 G HA2 -0.063 3.898 3.960 0.000 0.000 0.216 194 G HA3 -0.063 3.898 3.960 0.000 0.000 0.216 194 G C 1.516 176.360 174.900 -0.093 0.000 1.171 194 G CA 0.843 45.886 45.100 -0.096 0.000 0.775 194 G HN 0.565 nan 8.290 nan 0.000 0.543 195 I N -0.127 120.403 120.570 -0.068 0.000 2.277 195 I HA -0.097 4.073 4.170 0.000 0.000 0.243 195 I C 2.822 178.918 176.117 -0.034 0.000 1.094 195 I CA 1.037 62.302 61.300 -0.058 0.000 1.393 195 I CB -0.146 37.834 38.000 -0.034 0.000 1.078 195 I HN 0.219 nan 8.210 nan 0.000 0.417 196 Q N 0.643 120.431 119.800 -0.019 0.000 2.384 196 Q HA 0.252 4.592 4.340 0.000 0.000 0.207 196 Q C 0.745 176.698 176.000 -0.078 0.000 0.904 196 Q CA 0.426 56.190 55.803 -0.064 0.000 0.933 196 Q CB 0.828 29.526 28.738 -0.067 0.000 1.077 196 Q HN 0.552 nan 8.270 nan 0.000 0.522 197 G N 1.669 110.466 108.800 -0.005 0.000 2.730 197 G HA2 -0.162 3.798 3.960 0.000 0.000 0.686 197 G HA3 -0.162 3.798 3.960 0.000 0.000 0.686 197 G C -1.209 173.777 174.900 0.143 0.000 1.343 197 G CA -0.759 44.363 45.100 0.037 0.000 0.826 197 G HN 0.120 nan 8.290 nan 0.000 0.582 198 D N -0.455 120.022 120.400 0.128 0.000 2.372 198 D HA 0.331 4.971 4.640 0.000 0.000 0.243 198 D C 1.211 177.649 176.300 0.231 0.000 1.121 198 D CA -0.097 53.989 54.000 0.145 0.000 0.898 198 D CB 1.579 42.421 40.800 0.069 0.000 1.202 198 D HN 0.397 nan 8.370 nan 0.000 0.428 199 V N 1.611 121.609 119.914 0.141 0.000 2.720 199 V HA 0.378 4.498 4.120 0.000 0.000 0.307 199 V C 1.181 177.263 176.094 -0.020 0.000 1.071 199 V CA 1.306 63.558 62.300 -0.080 0.000 1.199 199 V CB 0.252 31.942 31.823 -0.222 0.000 0.900 199 V HN 0.925 nan 8.190 nan 0.000 0.494 200 G N 3.643 112.428 108.800 -0.026 0.000 2.298 200 G HA2 0.302 4.262 3.960 0.000 0.000 0.309 200 G HA3 0.302 4.262 3.960 0.000 0.000 0.309 200 G C 0.520 175.468 174.900 0.080 0.000 1.279 200 G CA -0.238 44.874 45.100 0.020 0.000 1.042 200 G HN 1.155 nan 8.290 nan 0.000 0.480 201 A N -0.236 122.620 122.820 0.059 0.000 1.908 201 A HA -0.001 4.320 4.320 0.000 0.000 0.218 201 A C 1.977 179.608 177.584 0.078 0.000 1.181 201 A CA 2.751 54.823 52.037 0.059 0.000 0.627 201 A CB -0.665 18.355 19.000 0.033 0.000 0.818 201 A HN 1.308 nan 8.150 nan 0.000 0.445 202 D N -1.570 118.879 120.400 0.083 0.000 2.355 202 D HA -0.053 4.588 4.640 0.000 0.000 0.218 202 D C 0.597 176.953 176.300 0.092 0.000 1.004 202 D CA -0.362 53.676 54.000 0.064 0.000 0.880 202 D CB -0.678 40.147 40.800 0.041 0.000 0.911 202 D HN 0.383 nan 8.370 nan 0.000 0.528 203 F N 2.266 122.217 119.950 0.001 0.000 2.593 203 F HA -0.022 4.505 4.527 0.001 0.000 0.393 203 F C 1.050 176.860 175.800 0.016 0.000 1.037 203 F CA 0.037 58.048 58.000 0.017 0.000 1.195 203 F CB 0.175 39.190 39.000 0.024 0.000 1.034 203 F HN -0.085 nan 8.300 nan 0.000 0.552 204 L N 4.024 124.927 121.223 -0.534 0.000 3.737 204 L HA -0.340 4.000 4.340 0.000 0.000 0.418 204 L C -0.286 176.420 176.870 -0.274 0.000 1.216 204 L CA 0.569 55.192 54.840 -0.362 0.000 0.915 204 L CB -1.696 40.138 42.059 -0.375 0.000 1.834 204 L HN 0.593 nan 8.230 nan 0.000 0.943 205 K N -0.115 120.175 120.400 -0.183 0.000 2.267 205 K HA 0.704 5.024 4.320 0.000 0.000 0.246 205 K C 0.964 177.482 176.600 -0.135 0.000 0.954 205 K CA -0.103 56.072 56.287 -0.187 0.000 0.824 205 K CB 2.103 34.543 32.500 -0.100 0.000 1.167 205 K HN 0.119 nan 8.250 nan 0.000 0.431 206 G N 1.098 109.815 108.800 -0.140 0.000 2.556 206 G HA2 -0.388 3.573 3.960 0.000 0.000 0.283 206 G HA3 -0.388 3.573 3.960 0.000 0.000 0.283 206 G C 0.809 175.731 174.900 0.037 0.000 1.177 206 G CA 0.611 45.693 45.100 -0.030 0.000 0.978 206 G HN 0.679 nan 8.290 nan 0.000 0.554 207 S N 0.935 116.686 115.700 0.084 0.000 2.555 207 S HA 0.052 4.523 4.470 0.000 0.000 0.230 207 S C 0.881 175.524 174.600 0.072 0.000 0.978 207 S CA 1.012 59.278 58.200 0.111 0.000 0.934 207 S CB -0.266 62.922 63.200 -0.020 0.000 0.766 207 S HN 0.714 nan 8.310 nan 0.000 0.533 208 N N 3.369 122.094 118.700 0.041 0.000 2.411 208 N HA 0.114 4.854 4.740 0.000 0.000 0.261 208 N C 0.108 175.756 175.510 0.230 0.000 1.248 208 N CA 0.399 53.480 53.050 0.050 0.000 0.885 208 N CB 0.229 38.700 38.487 -0.025 0.000 1.062 208 N HN 0.353 nan 8.380 nan 0.000 0.471 209 R N 1.567 122.159 120.500 0.152 0.000 2.596 209 R HA 0.465 4.805 4.340 0.000 0.000 0.267 209 R C 0.469 176.834 176.300 0.110 0.000 1.026 209 R CA -0.904 55.285 56.100 0.149 0.000 1.087 209 R CB 0.878 31.187 30.300 0.016 0.000 1.132 209 R HN 0.470 nan 8.270 nan 0.000 0.531 210 I N 1.303 121.883 120.570 0.017 0.000 2.588 210 I HA 0.115 4.285 4.170 0.000 0.000 0.283 210 I C 0.582 176.839 176.117 0.233 0.000 1.119 210 I CA 0.152 61.492 61.300 0.068 0.000 1.419 210 I CB 0.920 38.870 38.000 -0.083 0.000 1.394 210 I HN 0.505 nan 8.210 nan 0.000 0.562 211 A N 4.706 127.644 122.820 0.196 0.000 2.325 211 A HA 0.760 5.080 4.320 0.000 0.000 0.333 211 A C -0.347 177.409 177.584 0.287 0.000 1.155 211 A CA -0.440 51.730 52.037 0.222 0.000 0.814 211 A CB 1.000 20.071 19.000 0.119 0.000 1.206 211 A HN 0.637 nan 8.150 nan 0.000 0.482 212 T N 1.977 116.725 114.554 0.324 0.000 2.791 212 T HA 0.573 4.924 4.350 0.000 0.000 0.288 212 T C 0.075 174.822 174.700 0.078 0.000 0.999 212 T CA 0.036 62.290 62.100 0.257 0.000 0.952 212 T CB 1.204 70.302 68.868 0.383 0.000 0.938 212 T HN 1.046 nan 8.240 nan 0.000 0.444 213 A N 4.547 127.375 122.820 0.014 0.000 2.362 213 A HA 0.607 4.928 4.320 0.000 0.000 0.276 213 A C 0.369 177.933 177.584 -0.035 0.000 1.153 213 A CA -0.493 51.516 52.037 -0.048 0.000 0.813 213 A CB 0.180 19.140 19.000 -0.068 0.000 1.081 213 A HN 0.828 nan 8.150 nan 0.000 0.507 214 K N 2.411 122.709 120.400 -0.169 0.000 2.395 214 K HA 0.688 5.008 4.320 0.000 0.000 0.247 214 K C -1.466 175.056 176.600 -0.131 0.000 0.973 214 K CA -0.871 55.248 56.287 -0.280 0.000 0.828 214 K CB 1.378 33.318 32.500 -0.933 0.000 1.272 214 K HN 0.710 nan 8.250 nan 0.000 0.439 215 H N 0.088 119.268 119.070 0.184 0.000 2.529 215 H HA 0.360 4.916 4.556 0.000 0.000 0.348 215 H C -1.649 173.865 175.328 0.310 0.000 1.152 215 H CA -0.557 55.621 56.048 0.215 0.000 1.202 215 H CB 1.386 31.240 29.762 0.154 0.000 1.562 215 H HN 0.497 nan 8.280 nan 0.000 0.515 216 F N 3.278 123.291 119.950 0.106 0.000 2.371 216 F HA 0.493 5.021 4.527 0.000 0.000 0.363 216 F C -0.816 174.889 175.800 -0.160 0.000 1.122 216 F CA -0.375 57.499 58.000 -0.210 0.000 1.129 216 F CB 0.372 38.989 39.000 -0.639 0.000 1.173 216 F HN 0.316 nan 8.300 nan 0.000 0.489 217 V N 5.069 124.725 119.914 -0.431 0.000 3.147 217 V HA 0.695 4.815 4.120 0.000 0.000 0.299 217 V C -0.102 175.758 176.094 -0.390 0.000 1.302 217 V CA 0.063 61.981 62.300 -0.637 0.000 1.015 217 V CB 1.746 32.627 31.823 -1.570 0.000 1.086 217 V HN 1.053 nan 8.190 nan 0.000 0.437 218 G N 4.005 112.616 108.800 -0.315 0.000 2.130 218 G HA2 -0.170 3.790 3.960 0.000 0.000 0.216 218 G HA3 -0.170 3.790 3.960 0.000 0.000 0.216 218 G C 0.173 174.796 174.900 -0.462 0.000 0.999 218 G CA 0.672 45.453 45.100 -0.533 0.000 0.686 218 G HN 1.255 nan 8.290 nan 0.000 0.515 219 D N 0.200 120.439 120.400 -0.267 0.000 2.269 219 D HA 0.092 4.732 4.640 0.000 0.000 0.208 219 D C 1.923 177.693 176.300 -0.883 0.000 0.963 219 D CA 1.243 55.018 54.000 -0.374 0.000 0.864 219 D CB -0.766 40.022 40.800 -0.021 0.000 0.936 219 D HN 0.766 nan 8.370 nan 0.000 0.505 220 G N -0.441 108.090 108.800 -0.448 0.000 3.371 220 G HA2 0.365 4.325 3.960 0.000 0.000 0.248 220 G HA3 0.365 4.325 3.960 0.000 0.000 0.248 220 G C 0.972 175.813 174.900 -0.098 0.000 1.161 220 G CA -0.019 44.923 45.100 -0.262 0.000 0.796 220 G HN 0.417 nan 8.290 nan 0.000 0.539 221 G N 0.287 108.879 108.800 -0.346 0.000 3.596 221 G HA2 0.277 4.237 3.960 0.000 0.000 0.274 221 G HA3 0.277 4.237 3.960 0.000 0.000 0.274 221 G C 0.715 175.505 174.900 -0.183 0.000 1.007 221 G CA 0.398 45.374 45.100 -0.207 0.000 0.825 221 G HN 0.435 nan 8.290 nan 0.000 0.508 222 T N -0.416 113.972 114.554 -0.276 0.000 2.916 222 T HA 0.285 4.635 4.350 0.000 0.000 0.303 222 T C 0.076 174.711 174.700 -0.108 0.000 1.025 222 T CA -0.454 61.526 62.100 -0.200 0.000 1.142 222 T CB 1.503 70.197 68.868 -0.291 0.000 0.947 222 T HN 0.038 nan 8.240 nan 0.000 0.544 223 E N 2.217 122.391 120.200 -0.043 0.000 2.502 223 E HA -0.032 4.319 4.350 0.000 0.000 0.261 223 E C 1.008 177.582 176.600 -0.044 0.000 0.974 223 E CA 0.381 56.775 56.400 -0.011 0.000 0.936 223 E CB 0.163 29.885 29.700 0.036 0.000 0.926 223 E HN 0.780 nan 8.360 nan 0.000 0.459 224 R N 1.318 121.783 120.500 -0.058 0.000 3.946 224 R HA -0.274 4.066 4.340 0.000 0.000 0.329 224 R C 1.073 177.308 176.300 -0.109 0.000 1.209 224 R CA 0.585 56.607 56.100 -0.130 0.000 0.909 224 R CB -2.158 28.043 30.300 -0.166 0.000 1.355 224 R HN 0.935 nan 8.270 nan 0.000 0.539 225 G N -0.502 108.258 108.800 -0.068 0.000 2.187 225 G HA2 -0.351 3.610 3.960 0.000 0.000 0.261 225 G HA3 -0.351 3.610 3.960 0.000 0.000 0.261 225 G C 0.290 175.179 174.900 -0.019 0.000 1.000 225 G CA 0.215 45.297 45.100 -0.030 0.000 0.718 225 G HN 0.285 nan 8.290 nan 0.000 0.519 226 V N 0.968 120.839 119.914 -0.071 0.000 2.493 226 V HA 0.181 4.301 4.120 0.000 0.000 0.292 226 V C 0.998 177.084 176.094 -0.013 0.000 1.016 226 V CA 0.115 62.399 62.300 -0.028 0.000 1.097 226 V CB 1.010 32.796 31.823 -0.060 0.000 0.947 226 V HN 0.460 nan 8.190 nan 0.000 0.479 227 D N 4.908 125.436 120.400 0.214 0.000 2.493 227 D HA 0.084 4.724 4.640 0.000 0.000 0.240 227 D C 1.082 177.445 176.300 0.106 0.000 1.142 227 D CA 0.482 54.705 54.000 0.372 0.000 0.872 227 D CB 0.144 41.267 40.800 0.539 0.000 1.173 227 D HN 0.579 nan 8.370 nan 0.000 0.467 228 R N 1.160 121.704 120.500 0.073 0.000 3.951 228 R HA -0.160 4.180 4.340 0.000 0.000 0.352 228 R C 0.884 177.141 176.300 -0.071 0.000 1.178 228 R CA 0.569 56.656 56.100 -0.021 0.000 0.949 228 R CB -2.190 27.991 30.300 -0.198 0.000 1.452 228 R HN 0.527 nan 8.270 nan 0.000 0.540 229 G N 0.740 109.492 108.800 -0.081 0.000 2.546 229 G HA2 0.194 4.154 3.960 0.000 0.000 0.239 229 G HA3 0.194 4.154 3.960 0.000 0.000 0.239 229 G C -0.275 174.606 174.900 -0.031 0.000 1.476 229 G CA -0.125 44.945 45.100 -0.050 0.000 1.064 229 G HN 0.144 nan 8.290 nan 0.000 0.561 230 N N -0.692 118.009 118.700 0.001 0.000 2.446 230 N HA 0.343 5.083 4.740 0.000 0.000 0.265 230 N C -0.776 174.732 175.510 -0.002 0.000 0.975 230 N CA -0.316 52.744 53.050 0.015 0.000 0.928 230 N CB 1.177 39.690 38.487 0.042 0.000 1.160 230 N HN 0.178 nan 8.380 nan 0.000 0.495 231 T N 4.544 119.103 114.554 0.007 0.000 2.738 231 T HA 0.231 4.582 4.350 0.000 0.000 0.294 231 T C 0.241 175.015 174.700 0.123 0.000 0.914 231 T CA -0.202 61.910 62.100 0.021 0.000 1.052 231 T CB -0.120 68.725 68.868 -0.038 0.000 0.897 231 T HN 0.312 nan 8.240 nan 0.000 0.522 232 L N 5.644 126.914 121.223 0.078 0.000 2.270 232 L HA 0.655 4.996 4.340 0.000 0.000 0.286 232 L C -0.309 176.637 176.870 0.125 0.000 1.059 232 L CA -0.370 54.510 54.840 0.066 0.000 0.839 232 L CB 0.450 42.526 42.059 0.028 0.000 1.221 232 L HN 0.620 nan 8.230 nan 0.000 0.431 233 I N 2.182 122.878 120.570 0.209 0.000 2.842 233 I HA 0.188 4.358 4.170 0.000 0.000 0.296 233 I C -1.300 175.047 176.117 0.384 0.000 1.538 233 I CA -0.668 60.788 61.300 0.261 0.000 0.994 233 I CB 2.450 40.615 38.000 0.275 0.000 1.372 233 I HN 0.503 nan 8.210 nan 0.000 0.478 234 D N 4.805 125.368 120.400 0.272 0.000 2.357 234 D HA 0.033 4.674 4.640 0.000 0.000 0.242 234 D C 0.680 177.242 176.300 0.436 0.000 1.153 234 D CA -0.107 54.080 54.000 0.311 0.000 0.918 234 D CB 1.003 41.904 40.800 0.169 0.000 1.181 234 D HN 0.694 nan 8.370 nan 0.000 0.435 235 E N 0.367 120.902 120.200 0.560 0.000 2.097 235 E HA -0.296 4.054 4.350 0.000 0.000 0.196 235 E C 1.717 178.399 176.600 0.137 0.000 1.000 235 E CA 1.332 58.009 56.400 0.461 0.000 0.804 235 E CB 0.084 30.129 29.700 0.576 0.000 0.740 235 E HN 0.518 nan 8.360 nan 0.000 0.454 236 K N -0.579 119.865 120.400 0.074 0.000 2.032 236 K HA -0.154 4.166 4.320 0.000 0.000 0.209 236 K C 2.087 178.640 176.600 -0.080 0.000 1.048 236 K CA 1.503 57.748 56.287 -0.069 0.000 0.927 236 K CB -0.353 32.134 32.500 -0.022 0.000 0.712 236 K HN 0.233 nan 8.250 nan 0.000 0.441 237 G N 1.067 109.876 108.800 0.016 0.000 2.408 237 G HA2 -0.233 3.727 3.960 0.000 0.000 0.217 237 G HA3 -0.233 3.727 3.960 0.000 0.000 0.217 237 G C 1.384 176.303 174.900 0.032 0.000 1.150 237 G CA 0.568 45.682 45.100 0.023 0.000 0.776 237 G HN 0.268 nan 8.290 nan 0.000 0.542 238 L N 0.403 121.662 121.223 0.061 0.000 2.083 238 L HA 0.095 4.435 4.340 0.000 0.000 0.209 238 L C 2.722 179.577 176.870 -0.025 0.000 1.083 238 L CA 1.831 56.697 54.840 0.043 0.000 0.752 238 L CB -0.295 41.677 42.059 -0.145 0.000 0.899 238 L HN 0.227 nan 8.230 nan 0.000 0.433 239 R N -0.929 119.412 120.500 -0.265 0.000 2.075 239 R HA -0.111 4.229 4.340 0.000 0.000 0.226 239 R C 1.555 177.759 176.300 -0.160 0.000 1.114 239 R CA 1.638 57.391 56.100 -0.579 0.000 0.972 239 R CB -0.145 29.368 30.300 -1.312 0.000 0.869 239 R HN 0.363 nan 8.270 nan 0.000 0.437 240 D N 0.019 120.335 120.400 -0.139 0.000 2.213 240 D HA -0.011 4.629 4.640 0.000 0.000 0.205 240 D C 1.876 178.114 176.300 -0.103 0.000 0.961 240 D CA 0.940 54.900 54.000 -0.066 0.000 0.853 240 D CB 0.199 40.951 40.800 -0.079 0.000 0.967 240 D HN 0.314 nan 8.370 nan 0.000 0.496 241 I N -0.587 119.883 120.570 -0.167 0.000 2.556 241 I HA -0.082 4.089 4.170 0.000 0.000 0.251 241 I C 1.417 177.294 176.117 -0.401 0.000 1.105 241 I CA 0.704 61.804 61.300 -0.333 0.000 1.436 241 I CB 0.091 37.787 38.000 -0.506 0.000 1.139 241 I HN -0.045 nan 8.210 nan 0.000 0.438 242 H N -1.274 117.736 119.070 -0.100 0.000 2.705 242 H HA 0.230 4.786 4.556 0.000 0.000 0.269 242 H C 1.742 177.004 175.328 -0.110 0.000 0.998 242 H CA 0.144 56.132 56.048 -0.100 0.000 1.193 242 H CB 0.642 30.337 29.762 -0.113 0.000 1.485 242 H HN 0.014 nan 8.280 nan 0.000 0.521 243 S N -0.144 115.506 115.700 -0.083 0.000 2.539 243 S HA 0.198 4.668 4.470 0.000 0.000 0.221 243 S C 2.086 176.271 174.600 -0.692 0.000 0.987 243 S CA 0.404 58.509 58.200 -0.158 0.000 0.929 243 S CB 0.425 63.656 63.200 0.052 0.000 0.832 243 S HN 0.514 nan 8.310 nan 0.000 0.492 244 A N 1.903 124.370 122.820 -0.588 0.000 1.873 244 A HA -0.044 4.276 4.320 0.000 0.000 0.218 244 A C 2.279 179.640 177.584 -0.371 0.000 1.193 244 A CA 1.968 53.662 52.037 -0.571 0.000 0.629 244 A CB -1.507 17.385 19.000 -0.180 0.000 0.826 244 A HN 0.513 nan 8.150 nan 0.000 0.447 245 G N -2.042 106.610 108.800 -0.247 0.000 2.475 245 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 245 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 245 G C 1.422 176.176 174.900 -0.243 0.000 1.125 245 G CA 1.300 46.277 45.100 -0.205 0.000 0.755 245 G HN 0.558 nan 8.290 nan 0.000 0.565 246 Y N 0.000 120.204 120.300 -0.161 0.000 2.293 246 Y HA 0.067 4.617 4.550 0.000 0.000 0.291 246 Y C 2.506 178.439 175.900 0.055 0.000 1.137 246 Y CA 0.455 58.520 58.100 -0.059 0.000 1.202 246 Y CB -0.363 38.117 38.460 0.034 0.000 0.990 246 Y HN 0.155 nan 8.280 nan 0.000 0.537 247 F N -0.259 119.816 119.950 0.209 0.000 2.095 247 F HA -0.264 4.263 4.527 0.001 0.000 0.298 247 F C 2.677 178.521 175.800 0.072 0.000 1.104 247 F CA 1.320 59.397 58.000 0.128 0.000 1.232 247 F CB -1.607 37.452 39.000 0.099 0.000 0.987 247 F HN 0.063 nan 8.300 nan 0.000 0.475 248 S N -0.133 115.704 115.700 0.229 0.000 2.406 248 S HA 0.113 4.583 4.470 0.000 0.000 0.224 248 S C 2.203 176.860 174.600 0.094 0.000 1.030 248 S CA 0.496 58.776 58.200 0.133 0.000 0.958 248 S CB -0.908 62.349 63.200 0.094 0.000 0.811 248 S HN 0.231 nan 8.310 nan 0.000 0.489 249 A N 2.239 125.101 122.820 0.070 0.000 1.873 249 A HA 0.151 4.472 4.320 0.000 0.000 0.215 249 A C 2.202 179.846 177.584 0.101 0.000 1.186 249 A CA 1.343 53.413 52.037 0.055 0.000 0.616 249 A CB -0.887 18.101 19.000 -0.021 0.000 0.823 249 A HN 0.534 nan 8.150 nan 0.000 0.442 250 I N -0.021 120.627 120.570 0.130 0.000 2.286 250 I HA -0.270 3.900 4.170 0.000 0.000 0.248 250 I C 2.377 178.555 176.117 0.101 0.000 1.115 250 I CA 1.641 63.027 61.300 0.142 0.000 1.392 250 I CB -0.440 37.644 38.000 0.140 0.000 1.065 250 I HN 0.440 nan 8.210 nan 0.000 0.418 251 N N 0.698 119.448 118.700 0.083 0.000 2.149 251 N HA -0.216 4.524 4.740 0.000 0.000 0.188 251 N C 1.720 177.255 175.510 0.042 0.000 1.019 251 N CA 1.327 54.405 53.050 0.046 0.000 0.857 251 N CB 0.045 38.566 38.487 0.057 0.000 0.997 251 N HN 0.231 nan 8.380 nan 0.000 0.426 252 Q N -0.592 119.249 119.800 0.069 0.000 2.444 252 Q HA 0.188 4.528 4.340 0.000 0.000 0.206 252 Q C 0.517 176.591 176.000 0.122 0.000 0.948 252 Q CA 0.633 56.483 55.803 0.078 0.000 0.946 252 Q CB 0.069 28.858 28.738 0.084 0.000 1.027 252 Q HN 0.492 nan 8.270 nan 0.000 0.513 253 G N 1.196 110.068 108.800 0.119 0.000 2.248 253 G HA2 -0.253 3.708 3.960 0.000 0.000 0.263 253 G HA3 -0.253 3.708 3.960 0.000 0.000 0.263 253 G C 0.086 175.174 174.900 0.314 0.000 1.082 253 G CA 0.323 45.522 45.100 0.165 0.000 0.863 253 G HN 0.304 nan 8.290 nan 0.000 0.495 254 V N 0.172 120.237 119.914 0.253 0.000 2.617 254 V HA 0.134 4.254 4.120 0.000 0.000 0.304 254 V C 1.579 177.863 176.094 0.316 0.000 1.040 254 V CA 0.995 63.435 62.300 0.234 0.000 1.149 254 V CB 1.295 33.201 31.823 0.138 0.000 0.914 254 V HN 0.517 nan 8.190 nan 0.000 0.487 255 Q N 3.551 123.493 119.800 0.237 0.000 2.212 255 Q HA 0.120 4.460 4.340 0.000 0.000 0.199 255 Q C 0.878 176.904 176.000 0.044 0.000 0.950 255 Q CA 1.103 57.022 55.803 0.193 0.000 0.863 255 Q CB 0.363 29.184 28.738 0.138 0.000 0.944 255 Q HN 0.809 nan 8.270 nan 0.000 0.465 256 S N -0.710 114.957 115.700 -0.055 0.000 2.570 256 S HA 0.611 5.081 4.470 0.000 0.000 0.286 256 S C -1.181 173.327 174.600 -0.154 0.000 1.099 256 S CA -0.687 57.296 58.200 -0.362 0.000 0.913 256 S CB 1.828 64.570 63.200 -0.763 0.000 1.085 256 S HN -0.118 nan 8.310 nan 0.000 0.480 257 V N 4.403 124.165 119.914 -0.253 0.000 2.656 257 V HA 0.540 4.661 4.120 0.000 0.000 0.307 257 V C -0.366 175.638 176.094 -0.150 0.000 1.051 257 V CA -0.661 61.453 62.300 -0.311 0.000 0.893 257 V CB 1.832 33.168 31.823 -0.812 0.000 0.999 257 V HN 0.976 nan 8.190 nan 0.000 0.426 258 M N 4.379 123.927 119.600 -0.087 0.000 2.101 258 M HA 0.692 5.172 4.480 0.000 0.000 0.340 258 M C 0.314 176.608 176.300 -0.011 0.000 1.057 258 M CA -0.421 54.835 55.300 -0.074 0.000 0.984 258 M CB 1.161 33.657 32.600 -0.173 0.000 1.560 258 M HN 0.846 nan 8.290 nan 0.000 0.435 259 A N 3.448 126.212 122.820 -0.093 0.000 2.429 259 A HA 0.424 4.744 4.320 0.000 0.000 0.242 259 A C 0.064 177.620 177.584 -0.046 0.000 1.088 259 A CA -0.042 51.875 52.037 -0.200 0.000 0.784 259 A CB 0.109 18.708 19.000 -0.668 0.000 1.038 259 A HN 0.884 nan 8.150 nan 0.000 0.501 260 S N -0.547 115.152 115.700 -0.002 0.000 2.593 260 S HA 0.603 5.073 4.470 0.000 0.000 0.297 260 S C 0.201 174.937 174.600 0.228 0.000 1.112 260 S CA -0.475 57.801 58.200 0.127 0.000 1.043 260 S CB 0.696 63.957 63.200 0.102 0.000 1.054 260 S HN 0.437 nan 8.310 nan 0.000 0.516 261 F N 2.124 122.194 119.950 0.200 0.000 2.234 261 F HA 0.022 4.549 4.527 0.000 0.000 0.299 261 F C 1.695 177.518 175.800 0.038 0.000 1.087 261 F CA 0.598 58.665 58.000 0.111 0.000 1.340 261 F CB -0.367 38.648 39.000 0.025 0.000 1.031 261 F HN 0.699 nan 8.300 nan 0.000 0.500 262 N N 0.122 118.937 118.700 0.192 0.000 2.371 262 N HA -0.014 4.726 4.740 0.000 0.000 0.243 262 N C -0.175 175.395 175.510 0.100 0.000 1.287 262 N CA 0.000 53.094 53.050 0.072 0.000 0.911 262 N CB 0.641 39.104 38.487 -0.040 0.000 1.142 262 N HN -0.091 nan 8.380 nan 0.000 0.451 263 S N -0.790 114.956 115.700 0.076 0.000 2.617 263 S HA 0.288 4.759 4.470 0.000 0.000 0.283 263 S C -1.088 173.615 174.600 0.172 0.000 1.189 263 S CA -0.689 57.580 58.200 0.114 0.000 1.036 263 S CB 0.567 63.807 63.200 0.067 0.000 1.014 263 S HN 0.670 nan 8.310 nan 0.000 0.522 264 W N 3.322 124.614 121.300 -0.012 0.000 2.361 264 W HA 0.419 5.079 4.660 0.000 0.000 0.314 264 W C -0.472 176.044 176.519 -0.006 0.000 1.041 264 W CA -1.034 56.299 57.345 -0.020 0.000 1.241 264 W CB -0.325 29.132 29.460 -0.005 0.000 1.279 264 W HN 0.742 nan 8.180 nan 0.000 0.436 265 N N 4.391 122.935 118.700 -0.260 0.000 2.714 265 N HA -0.201 4.539 4.740 0.000 0.000 0.252 265 N C 0.943 176.309 175.510 -0.241 0.000 1.014 265 N CA 2.177 55.012 53.050 -0.358 0.000 0.735 265 N CB -1.374 36.700 38.487 -0.689 0.000 0.924 265 N HN 1.284 nan 8.380 nan 0.000 0.540 266 G N -1.503 107.224 108.800 -0.122 0.000 2.234 266 G HA2 -0.341 3.619 3.960 0.000 0.000 0.235 266 G HA3 -0.341 3.619 3.960 0.000 0.000 0.235 266 G C -0.004 174.872 174.900 -0.039 0.000 0.997 266 G CA 0.581 45.628 45.100 -0.089 0.000 0.623 266 G HN 0.587 nan 8.290 nan 0.000 0.514 267 K N 1.029 121.419 120.400 -0.016 0.000 2.206 267 K HA 0.478 4.798 4.320 0.000 0.000 0.264 267 K C 0.260 176.930 176.600 0.118 0.000 0.967 267 K CA -0.994 55.319 56.287 0.044 0.000 0.844 267 K CB 0.537 33.061 32.500 0.040 0.000 1.099 267 K HN 0.043 nan 8.250 nan 0.000 0.441 268 R N 2.850 123.423 120.500 0.122 0.000 2.484 268 R HA -0.008 4.332 4.340 0.000 0.000 0.293 268 R C 1.022 177.447 176.300 0.208 0.000 1.023 268 R CA 0.067 56.268 56.100 0.168 0.000 1.037 268 R CB 0.500 30.907 30.300 0.177 0.000 0.951 268 R HN 0.496 nan 8.270 nan 0.000 0.418 269 V N 3.055 123.101 119.914 0.221 0.000 2.594 269 V HA -0.227 3.893 4.120 0.000 0.000 0.253 269 V C 1.563 177.744 176.094 0.145 0.000 1.069 269 V CA 1.702 64.108 62.300 0.177 0.000 1.082 269 V CB -0.710 31.176 31.823 0.105 0.000 0.680 269 V HN 0.709 nan 8.190 nan 0.000 0.469 270 H N -0.119 119.018 119.070 0.112 0.000 2.524 270 H HA 0.057 4.613 4.556 0.000 0.000 0.282 270 H C 2.090 177.484 175.328 0.111 0.000 1.016 270 H CA 1.263 57.374 56.048 0.105 0.000 1.270 270 H CB -0.026 29.807 29.762 0.118 0.000 1.394 270 H HN 0.457 nan 8.280 nan 0.000 0.568 271 G N -1.222 107.710 108.800 0.220 0.000 3.159 271 G HA2 -0.069 3.891 3.960 0.000 0.000 0.232 271 G HA3 -0.069 3.891 3.960 0.000 0.000 0.232 271 G C -0.000 174.980 174.900 0.134 0.000 1.116 271 G CA -0.186 45.011 45.100 0.161 0.000 0.767 271 G HN 0.166 nan 8.290 nan 0.000 0.547 272 D N 0.980 121.467 120.400 0.145 0.000 2.441 272 D HA 0.165 4.805 4.640 0.000 0.000 0.221 272 D C 1.265 177.642 176.300 0.128 0.000 1.156 272 D CA -0.231 53.868 54.000 0.165 0.000 0.896 272 D CB 1.069 42.007 40.800 0.230 0.000 1.028 272 D HN 0.124 nan 8.370 nan 0.000 0.509 273 K N 2.513 122.983 120.400 0.117 0.000 2.209 273 K HA -0.235 4.085 4.320 0.000 0.000 0.204 273 K C 1.581 178.228 176.600 0.079 0.000 1.048 273 K CA 0.998 57.333 56.287 0.080 0.000 0.940 273 K CB 0.049 32.596 32.500 0.079 0.000 0.729 273 K HN 0.444 nan 8.250 nan 0.000 0.451 274 H N 0.290 119.399 119.070 0.065 0.000 2.387 274 H HA -0.054 4.502 4.556 0.000 0.000 0.299 274 H C 1.733 177.058 175.328 -0.005 0.000 1.090 274 H CA 1.804 57.887 56.048 0.059 0.000 1.332 274 H CB 0.026 29.870 29.762 0.137 0.000 1.386 274 H HN 0.128 nan 8.280 nan 0.000 0.516 275 L N -0.542 120.649 121.223 -0.054 0.000 2.095 275 L HA -0.047 4.293 4.340 0.000 0.000 0.204 275 L C 2.207 178.978 176.870 -0.165 0.000 1.080 275 L CA 0.771 55.525 54.840 -0.143 0.000 0.759 275 L CB -0.123 41.951 42.059 0.025 0.000 0.914 275 L HN 0.295 nan 8.230 nan 0.000 0.439 276 L N -1.640 119.516 121.223 -0.111 0.000 2.307 276 L HA -0.002 4.338 4.340 0.000 0.000 0.211 276 L C 2.083 178.844 176.870 -0.181 0.000 1.099 276 L CA 0.691 55.424 54.840 -0.179 0.000 0.816 276 L CB -0.392 41.611 42.059 -0.094 0.000 0.952 276 L HN 0.218 nan 8.230 nan 0.000 0.455 277 T N -1.891 112.584 114.554 -0.132 0.000 3.111 277 T HA -0.073 4.277 4.350 0.000 0.000 0.236 277 T C 1.311 175.924 174.700 -0.144 0.000 0.984 277 T CA 0.610 62.647 62.100 -0.104 0.000 1.195 277 T CB 0.098 68.942 68.868 -0.040 0.000 0.929 277 T HN 0.138 nan 8.240 nan 0.000 0.431 278 D N 0.791 121.088 120.400 -0.173 0.000 2.117 278 D HA -0.074 4.566 4.640 0.000 0.000 0.197 278 D C 1.964 178.065 176.300 -0.332 0.000 0.987 278 D CA 0.893 54.774 54.000 -0.197 0.000 0.829 278 D CB 0.015 40.736 40.800 -0.133 0.000 0.961 278 D HN 0.119 nan 8.370 nan 0.000 0.460 279 V N 0.048 119.630 119.914 -0.552 0.000 2.326 279 V HA -0.058 4.062 4.120 0.000 0.000 0.238 279 V C 2.241 178.017 176.094 -0.530 0.000 1.038 279 V CA 0.934 62.780 62.300 -0.757 0.000 1.032 279 V CB -0.585 30.520 31.823 -1.198 0.000 0.675 279 V HN 0.230 nan 8.190 nan 0.000 0.467 280 L N 0.231 121.121 121.223 -0.555 0.000 1.994 280 L HA -0.147 4.193 4.340 0.000 0.000 0.208 280 L C 2.296 179.015 176.870 -0.251 0.000 1.071 280 L CA 2.123 56.590 54.840 -0.621 0.000 0.745 280 L CB -0.671 40.786 42.059 -1.003 0.000 0.892 280 L HN 0.210 nan 8.230 nan 0.000 0.431 281 K N -1.079 119.223 120.400 -0.163 0.000 2.099 281 K HA 0.037 4.358 4.320 0.000 0.000 0.203 281 K C 1.822 178.420 176.600 -0.004 0.000 1.047 281 K CA 1.230 57.496 56.287 -0.036 0.000 0.963 281 K CB -0.104 32.373 32.500 -0.038 0.000 0.759 281 K HN 0.453 nan 8.250 nan 0.000 0.451 282 N N 0.826 119.508 118.700 -0.030 0.000 2.093 282 N HA -0.130 4.610 4.740 0.000 0.000 0.191 282 N C 1.952 177.518 175.510 0.093 0.000 1.062 282 N CA 0.855 53.919 53.050 0.024 0.000 0.854 282 N CB -0.013 38.472 38.487 -0.004 0.000 1.043 282 N HN 0.122 nan 8.380 nan 0.000 0.438 283 Q N 0.674 120.500 119.800 0.043 0.000 2.079 283 Q HA -0.045 4.295 4.340 0.000 0.000 0.200 283 Q C 2.261 178.396 176.000 0.224 0.000 0.974 283 Q CA 0.976 56.867 55.803 0.146 0.000 0.840 283 Q CB -0.106 28.707 28.738 0.125 0.000 0.898 283 Q HN 0.400 nan 8.270 nan 0.000 0.430 284 L N -1.056 120.222 121.223 0.092 0.000 2.109 284 L HA -0.026 4.314 4.340 0.000 0.000 0.207 284 L C 1.457 178.240 176.870 -0.145 0.000 1.086 284 L CA 0.957 55.828 54.840 0.051 0.000 0.760 284 L CB -0.240 41.851 42.059 0.054 0.000 0.910 284 L HN 0.525 nan 8.230 nan 0.000 0.437 285 G N -0.727 108.070 108.800 -0.004 0.000 2.159 285 G HA2 -0.313 3.647 3.960 0.000 0.000 0.227 285 G HA3 -0.313 3.647 3.960 0.000 0.000 0.227 285 G C 0.221 175.129 174.900 0.014 0.000 0.986 285 G CA -0.263 44.849 45.100 0.021 0.000 0.651 285 G HN 0.135 nan 8.290 nan 0.000 0.523 286 F N 2.129 122.000 119.950 -0.131 0.000 2.549 286 F HA 0.339 4.866 4.527 0.000 0.000 0.400 286 F C 0.954 176.720 175.800 -0.057 0.000 1.011 286 F CA 0.360 58.291 58.000 -0.115 0.000 1.148 286 F CB 0.510 39.398 39.000 -0.188 0.000 0.993 286 F HN 0.116 nan 8.300 nan 0.000 0.540 287 D N 3.484 123.628 120.400 -0.425 0.000 2.369 287 D HA 0.209 4.850 4.640 0.000 0.000 0.211 287 D C 1.051 176.991 176.300 -0.600 0.000 1.077 287 D CA 0.521 54.283 54.000 -0.396 0.000 0.842 287 D CB 0.046 40.758 40.800 -0.146 0.000 0.947 287 D HN 0.632 nan 8.370 nan 0.000 0.509 288 G N -0.345 107.650 108.800 -1.342 0.000 2.531 288 G HA2 0.416 4.376 3.960 0.000 0.000 0.253 288 G HA3 0.416 4.376 3.960 0.000 0.000 0.253 288 G C -0.314 174.170 174.900 -0.693 0.000 1.439 288 G CA -0.658 43.898 45.100 -0.908 0.000 1.056 288 G HN 0.213 nan 8.290 nan 0.000 0.555 289 F N -1.423 118.452 119.950 -0.126 0.000 2.470 289 F HA 0.748 5.276 4.527 0.000 0.000 0.329 289 F C -0.529 175.491 175.800 0.367 0.000 1.072 289 F CA -1.481 56.582 58.000 0.106 0.000 0.989 289 F CB 1.781 40.866 39.000 0.142 0.000 1.193 289 F HN 0.229 nan 8.300 nan 0.000 0.481 290 V N 4.154 124.284 119.914 0.361 0.000 2.427 290 V HA 0.499 4.619 4.120 0.000 0.000 0.286 290 V C -0.524 175.719 176.094 0.249 0.000 1.034 290 V CA -0.848 61.567 62.300 0.191 0.000 0.893 290 V CB 1.322 33.200 31.823 0.092 0.000 0.982 290 V HN 0.840 nan 8.190 nan 0.000 0.452 291 V N 5.395 125.424 119.914 0.191 0.000 2.513 291 V HA 0.642 4.763 4.120 0.000 0.000 0.299 291 V C 0.494 176.645 176.094 0.096 0.000 1.035 291 V CA -0.175 62.266 62.300 0.234 0.000 0.889 291 V CB 2.467 34.549 31.823 0.431 0.000 0.988 291 V HN 1.088 nan 8.190 nan 0.000 0.440 292 S N 4.580 120.348 115.700 0.114 0.000 2.608 292 S HA 0.310 4.780 4.470 0.000 0.000 0.261 292 S C -0.103 174.586 174.600 0.149 0.000 1.314 292 S CA -0.446 57.880 58.200 0.210 0.000 0.992 292 S CB 1.115 64.475 63.200 0.267 0.000 0.935 292 S HN 0.848 nan 8.310 nan 0.000 0.564 293 D N -0.505 120.005 120.400 0.183 0.000 2.466 293 D HA 0.098 4.738 4.640 0.000 0.000 0.262 293 D C -0.441 175.913 176.300 0.089 0.000 1.177 293 D CA -0.865 53.107 54.000 -0.046 0.000 1.035 293 D CB 0.579 41.088 40.800 -0.486 0.000 1.105 293 D HN 0.726 nan 8.370 nan 0.000 0.551 294 W N 2.495 123.894 121.300 0.166 0.000 2.797 294 W HA -0.107 4.553 4.660 0.000 0.000 0.371 294 W C 0.147 176.868 176.519 0.337 0.000 1.334 294 W CA 0.259 57.785 57.345 0.301 0.000 1.333 294 W CB -0.918 28.781 29.460 0.398 0.000 1.445 294 W HN 0.492 nan 8.180 nan 0.000 0.579 295 N N 2.438 121.166 118.700 0.046 0.000 2.713 295 N HA -0.269 4.471 4.740 0.000 0.000 0.251 295 N C 1.135 176.601 175.510 -0.074 0.000 1.117 295 N CA 1.331 54.327 53.050 -0.089 0.000 0.770 295 N CB -1.360 37.085 38.487 -0.070 0.000 1.137 295 N HN 0.517 nan 8.380 nan 0.000 0.566 296 A N 0.142 123.020 122.820 0.096 0.000 2.024 296 A HA -0.204 4.116 4.320 0.000 0.000 0.220 296 A C 1.800 179.302 177.584 -0.136 0.000 1.164 296 A CA 2.130 54.170 52.037 0.006 0.000 0.643 296 A CB -0.829 17.601 19.000 -0.950 0.000 0.806 296 A HN 0.801 nan 8.150 nan 0.000 0.451 297 H N 0.255 119.260 119.070 -0.109 0.000 2.489 297 H HA -0.068 4.488 4.556 0.000 0.000 0.293 297 H C 1.590 176.903 175.328 -0.024 0.000 1.066 297 H CA 1.398 57.437 56.048 -0.015 0.000 1.305 297 H CB -0.331 29.445 29.762 0.023 0.000 1.386 297 H HN 0.623 nan 8.280 nan 0.000 0.551 298 K N 0.236 120.208 120.400 -0.714 0.000 2.439 298 K HA -0.076 4.244 4.320 0.000 0.000 0.197 298 K C 0.397 176.709 176.600 -0.481 0.000 1.041 298 K CA 0.912 56.834 56.287 -0.609 0.000 0.970 298 K CB -0.115 31.900 32.500 -0.807 0.000 0.773 298 K HN 0.327 nan 8.250 nan 0.000 0.479 299 F N 1.445 121.341 119.950 -0.089 0.000 2.746 299 F HA 0.128 4.655 4.527 0.000 0.000 0.297 299 F C 0.998 176.787 175.800 -0.019 0.000 1.113 299 F CA -0.514 57.459 58.000 -0.045 0.000 1.367 299 F CB 0.559 39.556 39.000 -0.005 0.000 1.111 299 F HN -0.129 nan 8.300 nan 0.000 0.590 300 V N 1.568 121.573 119.914 0.152 0.000 2.607 300 V HA 0.221 4.341 4.120 0.000 0.000 0.289 300 V C 0.370 176.501 176.094 0.062 0.000 1.053 300 V CA -1.048 61.329 62.300 0.129 0.000 0.996 300 V CB 0.794 32.717 31.823 0.167 0.000 0.995 300 V HN 0.432 nan 8.190 nan 0.000 0.476 301 E N 4.620 124.843 120.200 0.039 0.000 2.608 301 E HA 0.207 4.557 4.350 0.000 0.000 0.259 301 E C 1.016 177.612 176.600 -0.008 0.000 0.951 301 E CA 0.342 56.737 56.400 -0.008 0.000 0.945 301 E CB -0.182 29.511 29.700 -0.013 0.000 0.916 301 E HN 1.822 nan 8.360 nan 0.000 0.477 302 G N 2.301 111.078 108.800 -0.038 0.000 2.189 302 G HA2 -0.349 3.611 3.960 0.000 0.000 0.267 302 G HA3 -0.349 3.611 3.960 0.000 0.000 0.267 302 G C 0.222 175.111 174.900 -0.018 0.000 0.975 302 G CA 0.304 45.383 45.100 -0.034 0.000 0.644 302 G HN 0.697 nan 8.290 nan 0.000 0.537 303 c N 0.783 119.382 118.600 -0.001 0.000 2.407 303 c HA 0.897 5.467 4.570 0.000 0.000 0.366 303 c C 0.171 174.252 174.090 -0.014 0.000 1.213 303 c CA 0.195 56.541 56.329 0.029 0.000 2.011 303 c CB 1.530 44.104 42.510 0.106 0.000 2.306 303 c HN 0.806 nan 8.230 nan 0.000 0.527 304 D N -1.254 119.153 120.400 0.013 0.000 2.692 304 D HA 0.232 4.873 4.640 0.000 0.000 0.303 304 D C 0.376 176.682 176.300 0.010 0.000 1.278 304 D CA -0.857 53.102 54.000 -0.068 0.000 0.852 304 D CB -0.012 40.737 40.800 -0.085 0.000 1.375 304 D HN 0.233 nan 8.370 nan 0.000 0.453 305 L N -0.620 120.523 121.223 -0.133 0.000 2.151 305 L HA -0.182 4.159 4.340 0.000 0.000 0.215 305 L C 1.373 178.389 176.870 0.243 0.000 1.084 305 L CA 1.681 56.464 54.840 -0.094 0.000 0.764 305 L CB -0.358 41.406 42.059 -0.492 0.000 0.891 305 L HN 0.489 nan 8.230 nan 0.000 0.435 306 E N -1.088 119.192 120.200 0.134 0.000 2.499 306 E HA 0.126 4.476 4.350 0.000 0.000 0.199 306 E C 0.016 176.617 176.600 0.002 0.000 1.016 306 E CA -0.093 56.402 56.400 0.159 0.000 0.933 306 E CB 0.615 30.338 29.700 0.039 0.000 1.050 306 E HN 0.217 nan 8.360 nan 0.000 0.462 307 Q N 0.375 120.193 119.800 0.030 0.000 2.593 307 Q HA 0.105 4.445 4.340 0.000 0.000 0.242 307 Q C -2.174 173.827 176.000 0.002 0.000 0.944 307 Q CA -0.338 55.265 55.803 -0.333 0.000 1.041 307 Q CB 1.478 30.091 28.738 -0.209 0.000 1.588 307 Q HN 0.202 nan 8.270 nan 0.000 0.464 308 c N 3.916 122.484 118.600 -0.053 0.000 3.319 308 c HA 0.614 5.184 4.570 0.000 0.000 0.258 308 c C 1.362 175.507 174.090 0.091 0.000 1.068 308 c CA 0.555 56.973 56.329 0.147 0.000 1.193 308 c CB -0.421 42.303 42.510 0.355 0.000 1.770 308 c HN 0.911 nan 8.230 nan 0.000 0.604 309 A N 1.380 124.196 122.820 -0.006 0.000 1.927 309 A HA -0.286 4.034 4.320 0.000 0.000 0.220 309 A C 2.020 179.635 177.584 0.052 0.000 1.185 309 A CA 2.494 54.534 52.037 0.004 0.000 0.639 309 A CB -0.533 18.454 19.000 -0.022 0.000 0.820 309 A HN 0.923 nan 8.150 nan 0.000 0.451 310 Q N -0.197 119.640 119.800 0.063 0.000 2.112 310 Q HA -0.116 4.225 4.340 0.000 0.000 0.206 310 Q C 2.025 178.088 176.000 0.106 0.000 0.987 310 Q CA 2.482 58.331 55.803 0.076 0.000 0.858 310 Q CB -0.566 28.218 28.738 0.076 0.000 0.905 310 Q HN 0.584 nan 8.270 nan 0.000 0.420 311 A N 0.258 123.166 122.820 0.146 0.000 1.865 311 A HA -0.177 4.143 4.320 0.000 0.000 0.217 311 A C 2.127 179.787 177.584 0.128 0.000 1.191 311 A CA 1.745 53.885 52.037 0.172 0.000 0.623 311 A CB -0.840 18.304 19.000 0.239 0.000 0.826 311 A HN 0.502 nan 8.150 nan 0.000 0.444 312 I N 0.287 120.930 120.570 0.122 0.000 2.286 312 I HA -0.245 3.925 4.170 0.000 0.000 0.248 312 I C 1.874 178.031 176.117 0.066 0.000 1.115 312 I CA 1.165 62.521 61.300 0.094 0.000 1.392 312 I CB -0.373 37.682 38.000 0.091 0.000 1.065 312 I HN 0.282 nan 8.210 nan 0.000 0.418 313 N N 0.900 119.636 118.700 0.060 0.000 2.331 313 N HA -0.038 4.703 4.740 0.000 0.000 0.180 313 N C 1.872 177.411 175.510 0.049 0.000 1.019 313 N CA 1.301 54.380 53.050 0.047 0.000 0.881 313 N CB -0.297 38.214 38.487 0.040 0.000 0.972 313 N HN 0.340 nan 8.380 nan 0.000 0.435 314 A N -0.198 122.658 122.820 0.061 0.000 1.969 314 A HA 0.255 4.576 4.320 0.000 0.000 0.218 314 A C 1.664 179.267 177.584 0.032 0.000 1.169 314 A CA 1.767 53.838 52.037 0.057 0.000 0.635 314 A CB -0.252 18.795 19.000 0.078 0.000 0.810 314 A HN 0.374 nan 8.150 nan 0.000 0.445 315 G N -2.795 106.026 108.800 0.035 0.000 2.613 315 G HA2 -0.021 3.939 3.960 0.000 0.000 0.199 315 G HA3 -0.021 3.939 3.960 0.000 0.000 0.199 315 G C 0.048 174.970 174.900 0.037 0.000 0.991 315 G CA -0.095 45.017 45.100 0.021 0.000 0.756 315 G HN 0.602 nan 8.290 nan 0.000 0.515 316 V N 2.154 122.098 119.914 0.050 0.000 2.617 316 V HA 0.188 4.308 4.120 0.000 0.000 0.304 316 V C 0.941 177.087 176.094 0.087 0.000 1.040 316 V CA 1.091 63.433 62.300 0.070 0.000 1.149 316 V CB 1.159 33.039 31.823 0.096 0.000 0.914 316 V HN 0.309 nan 8.190 nan 0.000 0.487 317 D N 2.359 122.828 120.400 0.116 0.000 2.394 317 D HA 0.106 4.746 4.640 0.000 0.000 0.226 317 D C 0.413 176.723 176.300 0.017 0.000 0.990 317 D CA 0.798 54.861 54.000 0.104 0.000 0.902 317 D CB 1.295 42.213 40.800 0.198 0.000 1.038 317 D HN 0.453 nan 8.370 nan 0.000 0.499 318 V N 1.625 121.558 119.914 0.030 0.000 2.577 318 V HA 0.353 4.473 4.120 0.000 0.000 0.303 318 V C -1.232 174.849 176.094 -0.021 0.000 1.042 318 V CA -0.828 61.417 62.300 -0.093 0.000 0.872 318 V CB 2.028 33.611 31.823 -0.400 0.000 0.998 318 V HN -0.133 nan 8.190 nan 0.000 0.423 319 I N 6.963 127.469 120.570 -0.106 0.000 2.325 319 I HA 0.295 4.465 4.170 0.000 0.000 0.291 319 I C 0.432 176.407 176.117 -0.237 0.000 1.019 319 I CA -0.113 61.054 61.300 -0.222 0.000 1.302 319 I CB 1.514 39.172 38.000 -0.569 0.000 1.401 319 I HN 0.777 nan 8.210 nan 0.000 0.485 320 M N 8.030 127.545 119.600 -0.141 0.000 2.775 320 M HA 0.178 4.658 4.480 0.000 0.000 0.313 320 M C -0.851 175.309 176.300 -0.233 0.000 1.429 320 M CA -0.247 54.965 55.300 -0.148 0.000 1.494 320 M CB -0.146 32.420 32.600 -0.055 0.000 1.274 320 M HN 0.342 nan 8.290 nan 0.000 0.491 321 V N 6.576 126.298 119.914 -0.320 0.000 2.217 321 V HA 0.254 4.374 4.120 0.000 0.000 0.264 321 V C -1.691 174.261 176.094 -0.237 0.000 1.107 321 V CA -1.176 60.966 62.300 -0.263 0.000 0.913 321 V CB -0.319 31.309 31.823 -0.325 0.000 1.153 321 V HN 0.629 nan 8.190 nan 0.000 0.469 322 P HA -0.170 nan 4.420 nan 0.000 0.218 322 P C 1.077 178.222 177.300 -0.258 0.000 1.148 322 P CA 1.405 64.224 63.100 -0.469 0.000 0.822 322 P CB 0.810 31.868 31.700 -1.070 0.000 0.784 323 E N -1.583 118.392 120.200 -0.375 0.000 2.364 323 E HA -0.032 4.318 4.350 0.000 0.000 0.203 323 E C 0.652 176.887 176.600 -0.609 0.000 0.888 323 E CA 0.051 56.052 56.400 -0.666 0.000 0.989 323 E CB 0.096 29.147 29.700 -1.081 0.000 0.985 323 E HN 0.218 nan 8.360 nan 0.000 0.499 324 H N 0.096 118.977 119.070 -0.316 0.000 2.550 324 H HA 0.133 4.690 4.556 0.000 0.000 0.304 324 H C 0.571 175.746 175.328 -0.254 0.000 1.086 324 H CA 0.006 55.871 56.048 -0.306 0.000 1.089 324 H CB -0.194 29.501 29.762 -0.112 0.000 1.528 324 H HN 0.258 nan 8.280 nan 0.000 0.539 325 F N -0.415 119.449 119.950 -0.143 0.000 2.171 325 F HA -0.102 4.426 4.527 0.000 0.000 0.300 325 F C 2.103 177.848 175.800 -0.091 0.000 1.090 325 F CA 0.938 58.822 58.000 -0.193 0.000 1.293 325 F CB -0.370 38.325 39.000 -0.509 0.000 1.013 325 F HN 0.162 nan 8.300 nan 0.000 0.486 326 E N 1.049 120.982 120.200 -0.445 0.000 2.031 326 E HA -0.143 4.207 4.350 0.000 0.000 0.193 326 E C 2.382 178.935 176.600 -0.080 0.000 0.994 326 E CA 1.360 57.574 56.400 -0.310 0.000 0.800 326 E CB -0.409 29.086 29.700 -0.341 0.000 0.752 326 E HN 0.391 nan 8.360 nan 0.000 0.447 327 A N -0.018 122.815 122.820 0.021 0.000 1.930 327 A HA -0.144 4.176 4.320 0.000 0.000 0.217 327 A C 2.052 179.708 177.584 0.120 0.000 1.175 327 A CA 1.157 53.280 52.037 0.144 0.000 0.627 327 A CB -0.809 18.266 19.000 0.126 0.000 0.815 327 A HN 0.493 nan 8.150 nan 0.000 0.443 328 F N -1.056 118.897 119.950 0.005 0.000 2.146 328 F HA -0.164 4.363 4.527 0.000 0.000 0.298 328 F C 2.119 177.922 175.800 0.006 0.000 1.096 328 F CA 1.943 59.935 58.000 -0.013 0.000 1.275 328 F CB -0.413 38.550 39.000 -0.063 0.000 1.008 328 F HN 0.388 nan 8.300 nan 0.000 0.480 329 Y N 0.734 121.118 120.300 0.139 0.000 2.069 329 Y HA -0.383 4.167 4.550 0.000 0.000 0.278 329 Y C 2.767 178.638 175.900 -0.048 0.000 1.175 329 Y CA 2.529 60.648 58.100 0.032 0.000 1.134 329 Y CB -1.011 37.399 38.460 -0.083 0.000 0.965 329 Y HN 0.141 nan 8.280 nan 0.000 0.498 330 H N -0.307 118.792 119.070 0.049 0.000 2.389 330 H HA -0.105 4.451 4.556 0.000 0.000 0.299 330 H C 1.912 177.140 175.328 -0.166 0.000 1.081 330 H CA 1.763 57.773 56.048 -0.062 0.000 1.345 330 H CB -0.631 29.190 29.762 0.097 0.000 1.393 330 H HN 0.560 nan 8.280 nan 0.000 0.520 331 N N -0.315 118.340 118.700 -0.076 0.000 2.216 331 N HA -0.102 4.639 4.740 0.000 0.000 0.183 331 N C 1.772 177.140 175.510 -0.237 0.000 1.017 331 N CA 1.437 54.391 53.050 -0.161 0.000 0.861 331 N CB 0.030 38.389 38.487 -0.213 0.000 0.986 331 N HN 0.159 nan 8.380 nan 0.000 0.428 332 T N 0.539 114.887 114.554 -0.343 0.000 2.684 332 T HA -0.108 4.242 4.350 0.000 0.000 0.267 332 T C 2.130 176.708 174.700 -0.202 0.000 1.036 332 T CA 0.887 62.811 62.100 -0.294 0.000 1.148 332 T CB -0.389 68.320 68.868 -0.265 0.000 0.863 332 T HN -0.013 nan 8.240 nan 0.000 0.436 333 V N 1.595 121.356 119.914 -0.256 0.000 2.255 333 V HA -0.239 3.882 4.120 0.000 0.000 0.247 333 V C 2.478 178.499 176.094 -0.121 0.000 1.051 333 V CA 1.741 63.914 62.300 -0.211 0.000 1.018 333 V CB -0.536 31.100 31.823 -0.312 0.000 0.641 333 V HN 0.487 nan 8.190 nan 0.000 0.445 334 K N -0.428 119.908 120.400 -0.106 0.000 2.113 334 K HA -0.271 4.050 4.320 0.000 0.000 0.208 334 K C 2.258 178.814 176.600 -0.072 0.000 1.047 334 K CA 1.869 58.113 56.287 -0.072 0.000 0.928 334 K CB -0.252 32.212 32.500 -0.061 0.000 0.716 334 K HN 0.569 nan 8.250 nan 0.000 0.446 335 Q N 0.184 119.928 119.800 -0.094 0.000 2.119 335 Q HA -0.112 4.228 4.340 0.000 0.000 0.201 335 Q C 2.177 178.143 176.000 -0.057 0.000 0.972 335 Q CA 1.173 56.928 55.803 -0.079 0.000 0.847 335 Q CB 0.047 28.725 28.738 -0.100 0.000 0.903 335 Q HN 0.116 nan 8.270 nan 0.000 0.433 336 V N 1.321 121.199 119.914 -0.061 0.000 2.270 336 V HA -0.253 3.867 4.120 0.000 0.000 0.245 336 V C 2.017 178.092 176.094 -0.030 0.000 1.043 336 V CA 1.771 64.048 62.300 -0.039 0.000 1.014 336 V CB -0.435 31.365 31.823 -0.038 0.000 0.645 336 V HN 0.286 nan 8.190 nan 0.000 0.447 337 K N 0.470 120.849 120.400 -0.034 0.000 2.147 337 K HA -0.092 4.228 4.320 0.000 0.000 0.205 337 K C 2.154 178.741 176.600 -0.022 0.000 1.049 337 K CA 1.471 57.743 56.287 -0.024 0.000 0.936 337 K CB -0.349 32.136 32.500 -0.024 0.000 0.722 337 K HN 0.477 nan 8.250 nan 0.000 0.446 338 A N 0.351 123.154 122.820 -0.028 0.000 2.119 338 A HA 0.118 4.438 4.320 0.000 0.000 0.216 338 A C 1.526 179.098 177.584 -0.020 0.000 1.152 338 A CA 1.131 53.153 52.037 -0.024 0.000 0.708 338 A CB -0.242 18.741 19.000 -0.029 0.000 0.805 338 A HN 0.431 nan 8.150 nan 0.000 0.460 339 G N -1.442 107.346 108.800 -0.020 0.000 2.141 339 G HA2 -0.225 3.735 3.960 0.000 0.000 0.231 339 G HA3 -0.225 3.735 3.960 0.000 0.000 0.231 339 G C 1.070 175.962 174.900 -0.013 0.000 0.984 339 G CA 0.752 45.843 45.100 -0.014 0.000 0.660 339 G HN 1.551 nan 8.290 nan 0.000 0.525 340 V N -1.715 118.187 119.914 -0.020 0.000 2.871 340 V HA 0.493 4.613 4.120 0.000 0.000 0.256 340 V C 1.172 177.258 176.094 -0.013 0.000 1.082 340 V CA 1.286 63.576 62.300 -0.018 0.000 1.105 340 V CB -0.110 31.698 31.823 -0.026 0.000 0.713 340 V HN 0.464 nan 8.190 nan 0.000 0.473 341 I N 1.772 122.332 120.570 -0.017 0.000 2.406 341 I HA 0.689 4.860 4.170 0.000 0.000 0.290 341 I C 0.469 176.583 176.117 -0.004 0.000 0.999 341 I CA -0.582 60.713 61.300 -0.008 0.000 1.124 341 I CB 1.496 39.489 38.000 -0.012 0.000 1.289 341 I HN 0.180 nan 8.210 nan 0.000 0.441 342 A N 4.763 127.586 122.820 0.004 0.000 2.477 342 A HA 0.097 4.417 4.320 0.000 0.000 0.246 342 A C 1.191 178.780 177.584 0.008 0.000 1.078 342 A CA -0.103 51.937 52.037 0.006 0.000 0.770 342 A CB 0.263 19.269 19.000 0.010 0.000 1.011 342 A HN 0.929 nan 8.150 nan 0.000 0.494 343 E N 1.722 121.926 120.200 0.006 0.000 2.204 343 E HA -0.171 4.180 4.350 0.000 0.000 0.194 343 E C 1.923 178.531 176.600 0.015 0.000 0.989 343 E CA 1.440 57.846 56.400 0.009 0.000 0.824 343 E CB 0.019 29.724 29.700 0.007 0.000 0.756 343 E HN 0.910 nan 8.360 nan 0.000 0.477 344 S N 0.242 115.950 115.700 0.014 0.000 2.402 344 S HA -0.157 4.313 4.470 0.000 0.000 0.229 344 S C 1.929 176.541 174.600 0.020 0.000 1.021 344 S CA 0.850 59.060 58.200 0.016 0.000 0.974 344 S CB -0.177 63.031 63.200 0.013 0.000 0.800 344 S HN 0.090 nan 8.310 nan 0.000 0.484 345 R N 1.466 121.978 120.500 0.020 0.000 2.073 345 R HA 0.139 4.479 4.340 0.000 0.000 0.234 345 R C 1.913 178.233 176.300 0.033 0.000 1.134 345 R CA 1.365 57.480 56.100 0.026 0.000 0.952 345 R CB -1.228 29.087 30.300 0.025 0.000 0.850 345 R HN 0.437 nan 8.270 nan 0.000 0.433 346 I N 1.222 121.811 120.570 0.031 0.000 2.163 346 I HA -0.289 3.882 4.170 0.000 0.000 0.243 346 I C 1.635 177.778 176.117 0.045 0.000 1.085 346 I CA 1.459 62.783 61.300 0.039 0.000 1.347 346 I CB -0.522 37.498 38.000 0.033 0.000 1.044 346 I HN 0.233 nan 8.210 nan 0.000 0.408 347 N N 0.374 119.096 118.700 0.037 0.000 2.061 347 N HA -0.256 4.484 4.740 0.000 0.000 0.193 347 N C 1.691 177.225 175.510 0.040 0.000 1.030 347 N CA 1.806 54.878 53.050 0.037 0.000 0.856 347 N CB -0.653 37.850 38.487 0.027 0.000 1.023 347 N HN 0.414 nan 8.380 nan 0.000 0.424 348 D N 0.046 120.466 120.400 0.034 0.000 2.144 348 D HA -0.023 4.617 4.640 0.000 0.000 0.199 348 D C 1.719 178.048 176.300 0.048 0.000 0.984 348 D CA 1.322 55.342 54.000 0.032 0.000 0.834 348 D CB -0.128 40.686 40.800 0.023 0.000 0.955 348 D HN 0.280 nan 8.370 nan 0.000 0.465 349 A N -0.279 122.575 122.820 0.058 0.000 1.898 349 A HA -0.089 4.231 4.320 0.000 0.000 0.216 349 A C 2.482 180.125 177.584 0.098 0.000 1.181 349 A CA 1.499 53.582 52.037 0.077 0.000 0.620 349 A CB -0.783 18.255 19.000 0.064 0.000 0.819 349 A HN 0.203 nan 8.150 nan 0.000 0.442 350 V N 0.015 119.984 119.914 0.093 0.000 2.343 350 V HA -0.262 3.858 4.120 0.000 0.000 0.247 350 V C 2.625 178.780 176.094 0.101 0.000 1.051 350 V CA 2.187 64.560 62.300 0.121 0.000 1.036 350 V CB -0.844 31.039 31.823 0.101 0.000 0.654 350 V HN 0.504 nan 8.190 nan 0.000 0.451 351 R N -0.266 120.276 120.500 0.069 0.000 2.083 351 R HA -0.160 4.180 4.340 0.000 0.000 0.237 351 R C 2.587 178.916 176.300 0.049 0.000 1.137 351 R CA 1.759 57.887 56.100 0.047 0.000 0.951 351 R CB -0.336 29.983 30.300 0.032 0.000 0.851 351 R HN 0.461 nan 8.270 nan 0.000 0.434 352 R N -0.647 119.895 120.500 0.070 0.000 2.081 352 R HA -0.136 4.205 4.340 0.000 0.000 0.235 352 R C 2.123 178.520 176.300 0.162 0.000 1.131 352 R CA 1.477 57.632 56.100 0.093 0.000 0.960 352 R CB -0.342 30.016 30.300 0.097 0.000 0.856 352 R HN 0.163 nan 8.270 nan 0.000 0.436 353 F N 1.205 121.086 119.950 -0.114 0.000 2.128 353 F HA -0.044 4.483 4.527 0.000 0.000 0.295 353 F C 1.730 177.364 175.800 -0.276 0.000 1.100 353 F CA 1.268 58.990 58.000 -0.464 0.000 1.260 353 F CB -0.219 38.444 39.000 -0.563 0.000 1.009 353 F HN -0.116 nan 8.300 nan 0.000 0.476 354 L N -0.077 121.018 121.223 -0.213 0.000 2.217 354 L HA -0.125 4.215 4.340 0.000 0.000 0.211 354 L C 2.603 179.413 176.870 -0.099 0.000 1.107 354 L CA 1.122 55.834 54.840 -0.215 0.000 0.783 354 L CB -0.719 41.320 42.059 -0.034 0.000 0.919 354 L HN 0.093 nan 8.230 nan 0.000 0.442 355 R N 0.768 121.249 120.500 -0.030 0.000 2.103 355 R HA -0.217 4.123 4.340 0.000 0.000 0.242 355 R C 2.283 178.609 176.300 0.043 0.000 1.142 355 R CA 1.674 57.790 56.100 0.026 0.000 0.960 355 R CB -0.191 30.133 30.300 0.040 0.000 0.858 355 R HN 0.345 nan 8.270 nan 0.000 0.439 356 A N 0.875 123.703 122.820 0.014 0.000 1.872 356 A HA -0.090 4.231 4.320 0.000 0.000 0.214 356 A C 1.982 179.543 177.584 -0.038 0.000 1.187 356 A CA 1.312 53.377 52.037 0.047 0.000 0.614 356 A CB -0.299 18.815 19.000 0.190 0.000 0.826 356 A HN 0.300 nan 8.150 nan 0.000 0.442 357 K N -0.328 119.914 120.400 -0.263 0.000 2.002 357 K HA -0.058 4.262 4.320 0.000 0.000 0.209 357 K C 1.915 178.552 176.600 0.063 0.000 1.048 357 K CA 1.602 57.767 56.287 -0.204 0.000 0.930 357 K CB -0.427 31.792 32.500 -0.468 0.000 0.714 357 K HN 0.513 nan 8.250 nan 0.000 0.438 358 I N 0.585 121.193 120.570 0.063 0.000 2.163 358 I HA -0.302 3.868 4.170 0.000 0.000 0.243 358 I C 2.748 178.972 176.117 0.180 0.000 1.085 358 I CA 1.227 62.649 61.300 0.203 0.000 1.347 358 I CB -0.310 37.825 38.000 0.225 0.000 1.044 358 I HN 0.189 nan 8.210 nan 0.000 0.408 359 R N 0.222 120.808 120.500 0.144 0.000 2.091 359 R HA -0.259 4.081 4.340 0.000 0.000 0.238 359 R C 2.304 178.685 176.300 0.134 0.000 1.136 359 R CA 2.075 58.262 56.100 0.144 0.000 0.959 359 R CB -0.484 29.922 30.300 0.177 0.000 0.856 359 R HN 0.478 nan 8.270 nan 0.000 0.437 360 W N -0.017 121.270 121.300 -0.022 0.000 2.342 360 W HA -0.140 4.521 4.660 0.000 0.000 0.297 360 W C 0.643 177.156 176.519 -0.010 0.000 1.213 360 W CA 2.046 59.360 57.345 -0.052 0.000 1.251 360 W CB 0.039 29.458 29.460 -0.068 0.000 1.136 360 W HN 0.321 nan 8.180 nan 0.000 0.526 361 G N -0.578 108.293 108.800 0.117 0.000 2.245 361 G HA2 -0.218 3.742 3.960 0.000 0.000 0.116 361 G HA3 -0.218 3.742 3.960 0.000 0.000 0.116 361 G C 0.276 175.245 174.900 0.116 0.000 1.054 361 G CA -0.219 44.848 45.100 -0.056 0.000 0.728 361 G HN 0.301 nan 8.290 nan 0.000 0.483 362 V N -0.379 119.718 119.914 0.305 0.000 2.594 362 V HA 0.015 4.136 4.120 0.000 0.000 0.253 362 V C 2.294 178.391 176.094 0.006 0.000 1.069 362 V CA 2.571 65.006 62.300 0.224 0.000 1.082 362 V CB -0.420 31.413 31.823 0.017 0.000 0.680 362 V HN 0.480 nan 8.190 nan 0.000 0.469 363 F N 0.150 120.190 119.950 0.151 0.000 2.387 363 F HA -0.014 4.513 4.527 0.000 0.000 0.294 363 F C 2.578 178.429 175.800 0.084 0.000 1.093 363 F CA 1.331 59.398 58.000 0.112 0.000 1.420 363 F CB -0.803 38.237 39.000 0.066 0.000 1.086 363 F HN 0.281 nan 8.300 nan 0.000 0.531 364 T N -2.085 112.598 114.554 0.214 0.000 2.896 364 T HA -0.008 4.342 4.350 0.000 0.000 0.263 364 T C 0.968 175.703 174.700 0.058 0.000 1.050 364 T CA 0.433 62.596 62.100 0.104 0.000 1.140 364 T CB -0.292 68.597 68.868 0.035 0.000 0.877 364 T HN -0.022 nan 8.240 nan 0.000 0.457 365 K N 2.186 122.606 120.400 0.033 0.000 2.154 365 K HA 0.435 4.755 4.320 0.000 0.000 0.264 365 K C 0.684 177.320 176.600 0.060 0.000 1.008 365 K CA -0.434 55.855 56.287 0.003 0.000 0.937 365 K CB 1.068 33.524 32.500 -0.073 0.000 1.002 365 K HN 0.447 nan 8.250 nan 0.000 0.469 366 S N 0.998 116.706 115.700 0.013 0.000 2.607 366 S HA 0.144 4.615 4.470 0.000 0.000 0.272 366 S C -0.254 174.230 174.600 -0.193 0.000 1.166 366 S CA -0.844 57.352 58.200 -0.007 0.000 1.021 366 S CB 0.166 63.364 63.200 -0.002 0.000 1.113 366 S HN 0.607 nan 8.310 nan 0.000 0.531 367 K N 0.449 120.687 120.400 -0.269 0.000 2.485 367 K HA 0.155 4.476 4.320 0.000 0.000 0.277 367 K C -2.277 174.125 176.600 -0.330 0.000 0.990 367 K CA -0.968 54.971 56.287 -0.581 0.000 0.994 367 K CB -0.420 31.941 32.500 -0.231 0.000 0.906 367 K HN 0.124 nan 8.250 nan 0.000 0.488 368 P HA -0.348 nan 4.420 nan 0.000 0.218 368 P C 1.407 178.720 177.300 0.022 0.000 1.165 368 P CA 2.374 65.454 63.100 -0.034 0.000 0.922 368 P CB -0.111 31.640 31.700 0.085 0.000 0.794 369 S N -1.421 114.292 115.700 0.022 0.000 2.500 369 S HA -0.025 4.445 4.470 0.000 0.000 0.239 369 S C 1.822 176.424 174.600 0.004 0.000 0.989 369 S CA 1.067 59.289 58.200 0.035 0.000 0.951 369 S CB -1.024 62.201 63.200 0.042 0.000 0.759 369 S HN 0.171 nan 8.310 nan 0.000 0.523 370 A N 1.016 123.826 122.820 -0.016 0.000 2.220 370 A HA 0.357 4.677 4.320 0.000 0.000 0.211 370 A C 1.085 178.660 177.584 -0.013 0.000 1.176 370 A CA -0.520 51.505 52.037 -0.020 0.000 0.834 370 A CB -0.110 18.877 19.000 -0.022 0.000 0.868 370 A HN 0.474 nan 8.150 nan 0.000 0.488 371 R N 0.529 121.030 120.500 0.002 0.000 2.640 371 R HA 0.120 4.460 4.340 0.000 0.000 0.270 371 R C -1.737 174.580 176.300 0.028 0.000 1.024 371 R CA -1.181 54.936 56.100 0.027 0.000 1.085 371 R CB 0.161 30.508 30.300 0.079 0.000 0.963 371 R HN 0.097 nan 8.270 nan 0.000 0.426 372 P HA -0.267 nan 4.420 nan 0.000 0.216 372 P C 0.907 178.274 177.300 0.111 0.000 1.153 372 P CA 1.402 64.536 63.100 0.056 0.000 0.858 372 P CB 0.038 31.786 31.700 0.079 0.000 0.789 373 E N -0.428 119.872 120.200 0.167 0.000 2.401 373 E HA -0.085 4.265 4.350 0.000 0.000 0.199 373 E C 1.009 177.719 176.600 0.183 0.000 1.023 373 E CA 1.155 57.723 56.400 0.281 0.000 0.859 373 E CB -0.833 29.079 29.700 0.352 0.000 0.780 373 E HN 0.194 nan 8.360 nan 0.000 0.523 374 S N 0.893 116.643 115.700 0.082 0.000 2.548 374 S HA 0.053 4.523 4.470 0.000 0.000 0.215 374 S C 1.186 175.722 174.600 -0.107 0.000 0.976 374 S CA -0.036 58.182 58.200 0.030 0.000 0.908 374 S CB 0.326 63.559 63.200 0.055 0.000 0.781 374 S HN 0.181 nan 8.310 nan 0.000 0.519 375 Q N 1.205 120.859 119.800 -0.244 0.000 2.322 375 Q HA 0.137 4.477 4.340 0.000 0.000 0.203 375 Q C -0.410 175.090 176.000 -0.833 0.000 0.923 375 Q CA 0.432 55.956 55.803 -0.464 0.000 0.949 375 Q CB -0.120 28.331 28.738 -0.479 0.000 1.039 375 Q HN 0.623 nan 8.270 nan 0.000 0.496 376 H N -0.447 118.338 119.070 -0.475 0.000 2.380 376 H HA 0.209 4.765 4.556 0.000 0.000 0.231 376 H C -1.866 173.178 175.328 -0.475 0.000 1.415 376 H CA -1.668 53.963 56.048 -0.695 0.000 1.433 376 H CB 1.261 30.076 29.762 -1.578 0.000 1.544 376 H HN -0.038 nan 8.280 nan 0.000 0.503 377 P HA -0.196 nan 4.420 nan 0.000 0.218 377 P C 2.015 179.320 177.300 0.008 0.000 1.149 377 P CA 1.005 64.083 63.100 -0.037 0.000 0.817 377 P CB 0.373 32.058 31.700 -0.025 0.000 0.785 378 Q N -1.064 118.717 119.800 -0.031 0.000 2.234 378 Q HA -0.205 4.135 4.340 0.000 0.000 0.206 378 Q C 1.534 177.608 176.000 0.124 0.000 0.980 378 Q CA 1.463 57.278 55.803 0.020 0.000 0.869 378 Q CB -1.427 27.312 28.738 0.000 0.000 0.912 378 Q HN 0.286 nan 8.270 nan 0.000 0.436 379 W N 1.736 123.040 121.300 0.007 0.000 2.325 379 W HA -0.009 4.651 4.660 0.000 0.000 0.299 379 W C 1.392 177.918 176.519 0.013 0.000 1.215 379 W CA 0.128 57.469 57.345 -0.005 0.000 1.244 379 W CB -0.830 28.692 29.460 0.103 0.000 1.140 379 W HN 0.177 nan 8.180 nan 0.000 0.523 380 L N 1.008 122.384 121.223 0.254 0.000 2.433 380 L HA 0.389 4.729 4.340 0.000 0.000 0.275 380 L C 1.325 178.227 176.870 0.054 0.000 1.128 380 L CA 1.006 55.929 54.840 0.138 0.000 0.875 380 L CB 0.173 42.281 42.059 0.081 0.000 1.171 380 L HN 0.357 nan 8.230 nan 0.000 0.463 381 G N 3.115 111.933 108.800 0.029 0.000 2.153 381 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 381 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 381 G C 0.486 175.348 174.900 -0.064 0.000 0.994 381 G CA 0.132 45.210 45.100 -0.037 0.000 0.698 381 G HN 1.265 nan 8.290 nan 0.000 0.521 382 A N -0.226 122.525 122.820 -0.116 0.000 2.561 382 A HA 0.659 4.980 4.320 0.000 0.000 0.234 382 A C 1.847 179.306 177.584 -0.209 0.000 1.055 382 A CA 1.086 52.969 52.037 -0.256 0.000 0.756 382 A CB 0.177 18.794 19.000 -0.638 0.000 0.986 382 A HN 1.860 nan 8.150 nan 0.000 0.505 383 A N 1.584 124.325 122.820 -0.131 0.000 1.933 383 A HA -0.137 4.183 4.320 0.000 0.000 0.218 383 A C 1.812 179.361 177.584 -0.058 0.000 1.175 383 A CA 1.852 53.843 52.037 -0.077 0.000 0.628 383 A CB -0.551 18.419 19.000 -0.050 0.000 0.814 383 A HN 0.934 nan 8.150 nan 0.000 0.444 384 E N -0.972 119.181 120.200 -0.078 0.000 2.085 384 E HA -0.223 4.127 4.350 0.000 0.000 0.194 384 E C 1.921 178.601 176.600 0.133 0.000 0.994 384 E CA 1.389 57.794 56.400 0.008 0.000 0.801 384 E CB -0.288 29.421 29.700 0.015 0.000 0.743 384 E HN 0.743 nan 8.360 nan 0.000 0.453 385 H N 0.347 119.420 119.070 0.006 0.000 2.389 385 H HA 0.010 4.566 4.556 0.000 0.000 0.299 385 H C 2.024 177.319 175.328 -0.055 0.000 1.081 385 H CA 0.906 56.974 56.048 0.032 0.000 1.345 385 H CB -0.180 29.596 29.762 0.024 0.000 1.393 385 H HN 0.095 nan 8.280 nan 0.000 0.520 386 R N -0.236 120.269 120.500 0.008 0.000 2.115 386 R HA -0.048 4.292 4.340 0.000 0.000 0.230 386 R C 2.073 178.346 176.300 -0.045 0.000 1.111 386 R CA 1.440 57.490 56.100 -0.083 0.000 0.976 386 R CB -0.265 29.979 30.300 -0.093 0.000 0.870 386 R HN 0.233 nan 8.270 nan 0.000 0.445 387 T N 1.858 116.409 114.554 -0.004 0.000 2.821 387 T HA -0.103 4.247 4.350 0.000 0.000 0.267 387 T C 1.751 176.464 174.700 0.021 0.000 1.046 387 T CA 0.935 63.035 62.100 -0.000 0.000 1.139 387 T CB -0.136 68.738 68.868 0.010 0.000 0.871 387 T HN 0.092 nan 8.240 nan 0.000 0.454 388 L N 1.490 122.763 121.223 0.085 0.000 2.027 388 L HA 0.114 4.454 4.340 0.000 0.000 0.206 388 L C 2.608 179.586 176.870 0.180 0.000 1.074 388 L CA 1.918 56.836 54.840 0.129 0.000 0.745 388 L CB -1.002 41.173 42.059 0.194 0.000 0.898 388 L HN 0.196 nan 8.230 nan 0.000 0.433 389 A N -0.245 122.699 122.820 0.205 0.000 1.883 389 A HA -0.279 4.041 4.320 0.000 0.000 0.217 389 A C 2.561 180.157 177.584 0.020 0.000 1.186 389 A CA 1.981 54.089 52.037 0.120 0.000 0.624 389 A CB -0.761 18.060 19.000 -0.299 0.000 0.822 389 A HN 0.529 nan 8.150 nan 0.000 0.444 390 R N -0.402 120.072 120.500 -0.044 0.000 2.091 390 R HA -0.199 4.142 4.340 0.000 0.000 0.238 390 R C 2.259 178.485 176.300 -0.123 0.000 1.136 390 R CA 1.858 57.905 56.100 -0.090 0.000 0.959 390 R CB -0.329 29.913 30.300 -0.097 0.000 0.856 390 R HN 0.750 nan 8.270 nan 0.000 0.437 391 E N -0.324 119.812 120.200 -0.107 0.000 2.058 391 E HA -0.214 4.136 4.350 0.000 0.000 0.194 391 E C 1.756 178.299 176.600 -0.094 0.000 0.997 391 E CA 1.331 57.644 56.400 -0.145 0.000 0.801 391 E CB -0.095 29.552 29.700 -0.088 0.000 0.746 391 E HN 0.477 nan 8.360 nan 0.000 0.450 392 A N 0.481 123.294 122.820 -0.011 0.000 1.902 392 A HA -0.129 4.191 4.320 0.000 0.000 0.217 392 A C 2.416 180.022 177.584 0.036 0.000 1.181 392 A CA 1.358 53.415 52.037 0.033 0.000 0.623 392 A CB -0.672 18.399 19.000 0.118 0.000 0.818 392 A HN 0.217 nan 8.150 nan 0.000 0.443 393 V N 0.210 120.132 119.914 0.014 0.000 2.255 393 V HA -0.319 3.801 4.120 0.000 0.000 0.247 393 V C 2.662 178.736 176.094 -0.033 0.000 1.051 393 V CA 2.404 64.707 62.300 0.005 0.000 1.018 393 V CB -0.835 30.965 31.823 -0.038 0.000 0.641 393 V HN 0.546 nan 8.190 nan 0.000 0.445 394 R N 0.000 120.422 120.500 -0.130 0.000 2.105 394 R HA -0.183 4.158 4.340 0.000 0.000 0.239 394 R C 2.310 178.528 176.300 -0.137 0.000 1.135 394 R CA 1.559 57.529 56.100 -0.217 0.000 0.967 394 R CB -0.323 29.725 30.300 -0.419 0.000 0.861 394 R HN 0.524 nan 8.270 nan 0.000 0.442 395 K N 0.137 120.494 120.400 -0.072 0.000 2.296 395 K HA -0.018 4.302 4.320 0.000 0.000 0.200 395 K C 2.142 178.796 176.600 0.089 0.000 1.048 395 K CA 1.209 57.493 56.287 -0.006 0.000 0.966 395 K CB 0.142 32.637 32.500 -0.008 0.000 0.754 395 K HN 0.147 nan 8.250 nan 0.000 0.466 396 S N 0.935 116.714 115.700 0.132 0.000 2.453 396 S HA -0.006 4.464 4.470 0.000 0.000 0.231 396 S C 0.892 175.746 174.600 0.424 0.000 1.005 396 S CA 0.026 58.389 58.200 0.271 0.000 0.949 396 S CB -0.407 62.971 63.200 0.297 0.000 0.774 396 S HN 0.101 nan 8.310 nan 0.000 0.510 397 L N 2.666 124.058 121.223 0.280 0.000 2.455 397 L HA 0.275 4.615 4.340 0.000 0.000 0.272 397 L C -0.628 176.477 176.870 0.391 0.000 1.174 397 L CA -0.507 54.511 54.840 0.297 0.000 0.869 397 L CB 0.736 42.931 42.059 0.226 0.000 1.130 397 L HN 0.090 nan 8.230 nan 0.000 0.474 398 V N 4.936 125.002 119.914 0.253 0.000 2.357 398 V HA 0.183 4.303 4.120 0.000 0.000 0.284 398 V C 0.039 175.984 176.094 -0.247 0.000 1.018 398 V CA -0.614 61.745 62.300 0.098 0.000 0.841 398 V CB 1.688 33.660 31.823 0.247 0.000 0.991 398 V HN 0.417 nan 8.190 nan 0.000 0.437 399 L N 6.082 126.920 121.223 -0.642 0.000 2.407 399 L HA 0.303 4.643 4.340 0.000 0.000 0.282 399 L C 0.795 177.323 176.870 -0.569 0.000 1.110 399 L CA 0.724 55.012 54.840 -0.920 0.000 0.863 399 L CB 0.187 41.324 42.059 -1.537 0.000 1.207 399 L HN 0.600 nan 8.230 nan 0.000 0.454 400 L N 3.454 124.394 121.223 -0.472 0.000 2.202 400 L HA 0.156 4.496 4.340 0.000 0.000 0.205 400 L C 0.789 177.364 176.870 -0.490 0.000 1.083 400 L CA 0.450 54.908 54.840 -0.637 0.000 0.790 400 L CB -0.143 41.371 42.059 -0.909 0.000 0.942 400 L HN 0.593 nan 8.230 nan 0.000 0.452 401 K N 0.068 120.297 120.400 -0.284 0.000 2.535 401 K HA 0.239 4.559 4.320 0.000 0.000 0.251 401 K C -1.281 175.253 176.600 -0.110 0.000 0.942 401 K CA -0.453 55.749 56.287 -0.142 0.000 0.798 401 K CB 1.719 34.169 32.500 -0.083 0.000 1.267 401 K HN -0.226 nan 8.250 nan 0.000 0.434 402 N N 3.095 121.749 118.700 -0.076 0.000 2.673 402 N HA 0.199 4.940 4.740 0.000 0.000 0.265 402 N C -1.720 173.778 175.510 -0.020 0.000 1.709 402 N CA -0.482 52.544 53.050 -0.040 0.000 0.792 402 N CB 0.357 38.830 38.487 -0.023 0.000 1.286 402 N HN 0.554 nan 8.380 nan 0.000 0.506 403 N N 1.896 120.584 118.700 -0.019 0.000 2.440 403 N HA 0.040 4.781 4.740 0.000 0.000 0.265 403 N C -0.126 175.375 175.510 -0.015 0.000 1.239 403 N CA 0.704 53.745 53.050 -0.015 0.000 0.909 403 N CB 0.360 38.837 38.487 -0.015 0.000 1.066 403 N HN 0.226 nan 8.380 nan 0.000 0.474 404 E N 0.375 120.567 120.200 -0.013 0.000 3.181 404 E HA -0.221 4.129 4.350 0.000 0.000 0.293 404 E C -0.681 175.904 176.600 -0.024 0.000 0.936 404 E CA 0.806 57.196 56.400 -0.017 0.000 0.975 404 E CB -2.054 27.635 29.700 -0.019 0.000 1.496 404 E HN 0.652 nan 8.360 nan 0.000 0.429 405 S N -1.197 114.491 115.700 -0.020 0.000 3.682 405 S HA -0.262 4.208 4.470 0.000 0.000 0.354 405 S C 1.109 175.672 174.600 -0.062 0.000 1.034 405 S CA 0.864 59.042 58.200 -0.036 0.000 1.084 405 S CB -1.603 61.570 63.200 -0.045 0.000 0.903 405 S HN 0.572 nan 8.310 nan 0.000 0.470 406 I N -0.182 120.363 120.570 -0.041 0.000 2.361 406 I HA -0.057 4.113 4.170 0.000 0.000 0.251 406 I C 0.679 176.763 176.117 -0.056 0.000 1.133 406 I CA 1.438 62.711 61.300 -0.044 0.000 1.413 406 I CB 0.138 38.122 38.000 -0.028 0.000 1.073 406 I HN 0.391 nan 8.210 nan 0.000 0.424 407 L N 2.742 123.944 121.223 -0.035 0.000 2.325 407 L HA 0.373 4.713 4.340 0.000 0.000 0.279 407 L C -2.237 174.357 176.870 -0.461 0.000 1.054 407 L CA -1.939 52.873 54.840 -0.046 0.000 0.804 407 L CB 1.025 43.235 42.059 0.252 0.000 1.200 407 L HN -0.070 nan 8.230 nan 0.000 0.436 408 P HA 0.206 nan 4.420 nan 0.000 0.278 408 P C -0.547 176.662 177.300 -0.151 0.000 1.238 408 P CA -0.268 62.654 63.100 -0.297 0.000 0.794 408 P CB 1.020 32.530 31.700 -0.315 0.000 0.955 409 I N 2.099 122.633 120.570 -0.060 0.000 2.529 409 I HA 0.109 4.279 4.170 0.000 0.000 0.284 409 I C 1.378 177.465 176.117 -0.051 0.000 1.082 409 I CA -0.247 61.024 61.300 -0.049 0.000 1.406 409 I CB 0.257 38.243 38.000 -0.024 0.000 1.405 409 I HN 0.218 nan 8.210 nan 0.000 0.548 410 K N 4.542 124.910 120.400 -0.053 0.000 2.416 410 K HA 0.162 4.482 4.320 0.000 0.000 0.283 410 K C 0.900 177.479 176.600 -0.035 0.000 1.037 410 K CA -0.018 56.241 56.287 -0.046 0.000 0.995 410 K CB 0.873 33.346 32.500 -0.045 0.000 0.938 410 K HN 0.777 nan 8.250 nan 0.000 0.475 411 A N 2.655 125.456 122.820 -0.033 0.000 2.121 411 A HA -0.102 4.218 4.320 0.000 0.000 0.218 411 A C 1.614 179.182 177.584 -0.027 0.000 1.154 411 A CA 1.624 53.643 52.037 -0.029 0.000 0.679 411 A CB -0.272 18.710 19.000 -0.029 0.000 0.795 411 A HN 0.761 nan 8.150 nan 0.000 0.458 412 S N -0.269 115.415 115.700 -0.027 0.000 2.593 412 S HA 0.161 4.631 4.470 0.000 0.000 0.217 412 S C 0.729 175.316 174.600 -0.021 0.000 0.966 412 S CA 0.204 58.390 58.200 -0.023 0.000 0.914 412 S CB -0.341 62.845 63.200 -0.023 0.000 0.776 412 S HN 0.335 nan 8.310 nan 0.000 0.523 413 S N 1.871 117.557 115.700 -0.023 0.000 2.624 413 S HA 0.313 4.783 4.470 0.000 0.000 0.263 413 S C 0.149 174.738 174.600 -0.018 0.000 1.287 413 S CA -0.778 57.408 58.200 -0.023 0.000 0.990 413 S CB 0.499 63.682 63.200 -0.028 0.000 0.950 413 S HN 0.535 nan 8.310 nan 0.000 0.561 414 R N 0.948 121.436 120.500 -0.019 0.000 2.202 414 R HA 0.459 4.799 4.340 0.000 0.000 0.334 414 R C -1.255 175.029 176.300 -0.026 0.000 1.036 414 R CA -0.106 55.984 56.100 -0.016 0.000 0.878 414 R CB -0.155 30.135 30.300 -0.017 0.000 1.067 414 R HN 0.553 nan 8.270 nan 0.000 0.457 415 I N 5.258 125.821 120.570 -0.011 0.000 2.465 415 I HA 0.268 4.438 4.170 0.000 0.000 0.291 415 I C -0.853 175.265 176.117 0.001 0.000 1.014 415 I CA -1.227 60.066 61.300 -0.012 0.000 1.093 415 I CB 1.969 39.969 38.000 0.001 0.000 1.267 415 I HN 0.462 nan 8.210 nan 0.000 0.431 416 L N 7.561 128.764 121.223 -0.033 0.000 2.289 416 L HA 0.559 4.899 4.340 0.000 0.000 0.285 416 L C -0.719 176.159 176.870 0.012 0.000 1.049 416 L CA -0.254 54.574 54.840 -0.021 0.000 0.804 416 L CB 1.554 43.553 42.059 -0.100 0.000 1.195 416 L HN 0.338 nan 8.230 nan 0.000 0.428 417 V N 5.767 125.712 119.914 0.052 0.000 2.334 417 V HA 0.832 4.953 4.120 0.000 0.000 0.281 417 V C 0.311 176.408 176.094 0.005 0.000 1.016 417 V CA -0.123 62.214 62.300 0.061 0.000 0.832 417 V CB 0.535 32.472 31.823 0.191 0.000 0.999 417 V HN 0.988 nan 8.190 nan 0.000 0.439 418 A N 3.627 126.447 122.820 0.001 0.000 2.347 418 A HA 1.067 5.388 4.320 0.000 0.000 0.301 418 A C 0.361 177.946 177.584 0.001 0.000 1.163 418 A CA -0.296 51.738 52.037 -0.004 0.000 0.860 418 A CB 1.403 20.406 19.000 0.005 0.000 1.367 418 A HN 2.157 nan 8.150 nan 0.000 0.461 419 G N -0.677 108.130 108.800 0.012 0.000 2.690 419 G HA2 -0.091 3.869 3.960 0.000 0.000 0.686 419 G HA3 -0.091 3.869 3.960 0.000 0.000 0.686 419 G C 0.155 175.081 174.900 0.044 0.000 1.277 419 G CA 0.048 45.167 45.100 0.032 0.000 0.799 419 G HN 0.840 nan 8.290 nan 0.000 0.613 420 K N 0.567 121.015 120.400 0.081 0.000 2.103 420 K HA -0.080 4.240 4.320 0.000 0.000 0.207 420 K C 2.621 179.245 176.600 0.040 0.000 1.048 420 K CA 1.598 57.930 56.287 0.076 0.000 0.930 420 K CB -0.096 32.472 32.500 0.114 0.000 0.716 420 K HN 0.770 nan 8.250 nan 0.000 0.444 421 G N 1.154 109.972 108.800 0.030 0.000 2.572 421 G HA2 -0.066 3.895 3.960 0.000 0.000 0.216 421 G HA3 -0.066 3.895 3.960 0.000 0.000 0.216 421 G C 1.606 176.505 174.900 -0.001 0.000 1.133 421 G CA 0.574 45.673 45.100 -0.001 0.000 0.791 421 G HN 0.288 nan 8.290 nan 0.000 0.538 422 A N 1.156 123.981 122.820 0.009 0.000 1.909 422 A HA -0.243 4.077 4.320 0.000 0.000 0.221 422 A C 1.791 179.416 177.584 0.068 0.000 1.223 422 A CA 2.227 54.282 52.037 0.029 0.000 0.658 422 A CB -0.321 18.678 19.000 -0.002 0.000 0.831 422 A HN 0.444 nan 8.150 nan 0.000 0.462 423 N N -2.015 116.706 118.700 0.035 0.000 2.536 423 N HA 0.441 5.181 4.740 0.000 0.000 0.286 423 N C -0.794 174.740 175.510 0.039 0.000 1.577 423 N CA 0.617 53.706 53.050 0.065 0.000 0.883 423 N CB 0.721 39.218 38.487 0.017 0.000 1.390 423 N HN 0.397 nan 8.380 nan 0.000 0.491 424 A N 0.970 123.799 122.820 0.015 0.000 2.709 424 A HA 0.398 4.718 4.320 0.000 0.000 0.332 424 A C 1.110 178.671 177.584 -0.038 0.000 1.241 424 A CA -0.510 51.535 52.037 0.013 0.000 0.782 424 A CB -0.357 18.651 19.000 0.013 0.000 1.109 424 A HN 0.343 nan 8.150 nan 0.000 0.472 425 I N 1.237 121.770 120.570 -0.062 0.000 2.236 425 I HA -0.331 3.839 4.170 0.000 0.000 0.249 425 I C 2.651 178.550 176.117 -0.363 0.000 1.102 425 I CA 1.730 62.864 61.300 -0.278 0.000 1.365 425 I CB -0.273 37.474 38.000 -0.422 0.000 1.051 425 I HN 0.845 nan 8.210 nan 0.000 0.420 426 N N 1.833 120.485 118.700 -0.080 0.000 2.289 426 N HA -0.218 4.523 4.740 0.000 0.000 0.184 426 N C 1.711 177.184 175.510 -0.062 0.000 1.016 426 N CA 1.617 54.690 53.050 0.039 0.000 0.872 426 N CB -0.392 38.228 38.487 0.223 0.000 0.973 426 N HN 0.421 nan 8.380 nan 0.000 0.433 427 M N 0.507 120.060 119.600 -0.078 0.000 2.236 427 M HA -0.095 4.385 4.480 0.000 0.000 0.266 427 M C 2.397 178.609 176.300 -0.146 0.000 1.070 427 M CA 1.403 56.643 55.300 -0.100 0.000 1.137 427 M CB -0.165 32.397 32.600 -0.063 0.000 1.378 427 M HN 0.353 nan 8.290 nan 0.000 0.426 428 Q N -0.029 119.673 119.800 -0.163 0.000 2.269 428 Q HA 0.028 4.368 4.340 0.000 0.000 0.201 428 Q C 1.826 177.717 176.000 -0.182 0.000 0.946 428 Q CA 1.170 56.875 55.803 -0.163 0.000 0.877 428 Q CB -0.178 28.467 28.738 -0.155 0.000 0.963 428 Q HN 0.389 nan 8.270 nan 0.000 0.472 429 A N 1.547 124.219 122.820 -0.247 0.000 1.872 429 A HA 0.320 4.640 4.320 0.000 0.000 0.214 429 A C 1.404 178.938 177.584 -0.085 0.000 1.187 429 A CA 1.416 53.338 52.037 -0.192 0.000 0.614 429 A CB -1.126 17.671 19.000 -0.338 0.000 0.826 429 A HN 0.720 nan 8.150 nan 0.000 0.442 430 G N -2.136 106.578 108.800 -0.142 0.000 2.698 430 G HA2 0.225 4.185 3.960 0.000 0.000 0.233 430 G HA3 0.225 4.185 3.960 0.000 0.000 0.233 430 G C 0.585 175.393 174.900 -0.154 0.000 1.352 430 G CA -0.193 44.751 45.100 -0.259 0.000 0.879 430 G HN 1.547 nan 8.290 nan 0.000 0.567 431 G N -2.633 105.972 108.800 -0.326 0.000 2.699 431 G HA2 0.451 4.411 3.960 0.000 0.000 0.246 431 G HA3 0.451 4.411 3.960 0.000 0.000 0.246 431 G C 0.545 175.549 174.900 0.174 0.000 1.219 431 G CA 0.805 45.777 45.100 -0.213 0.000 0.866 431 G HN 1.864 nan 8.290 nan 0.000 0.572 432 W N -0.954 120.405 121.300 0.098 0.000 5.121 432 W HA -0.168 4.492 4.660 0.001 0.000 0.372 432 W C 0.474 177.245 176.519 0.421 0.000 1.394 432 W CA 0.503 58.005 57.345 0.262 0.000 0.885 432 W CB -1.889 27.745 29.460 0.290 0.000 2.520 432 W HN 0.467 nan 8.180 nan 0.000 1.455 433 S N 0.106 116.075 115.700 0.449 0.000 2.539 433 S HA 0.405 4.875 4.470 0.000 0.000 0.235 433 S C 0.701 175.486 174.600 0.308 0.000 1.326 433 S CA -0.105 58.358 58.200 0.437 0.000 1.183 433 S CB 1.756 65.220 63.200 0.440 0.000 1.073 433 S HN 0.377 nan 8.310 nan 0.000 0.480 434 V N 1.319 121.369 119.914 0.227 0.000 0.735 434 V HA -0.301 3.820 4.120 0.000 0.000 0.053 434 V C 0.717 176.879 176.094 0.112 0.000 2.562 434 V CA 2.265 64.644 62.300 0.132 0.000 3.564 434 V CB -1.775 30.066 31.823 0.031 0.000 1.229 434 V HN 0.930 nan 8.190 nan 0.000 1.090 435 S N -3.412 112.357 115.700 0.115 0.000 2.671 435 S HA 0.564 5.034 4.470 0.000 0.000 0.277 435 S C -0.475 174.161 174.600 0.060 0.000 1.165 435 S CA -0.013 58.236 58.200 0.081 0.000 0.822 435 S CB 1.769 64.982 63.200 0.023 0.000 1.150 435 S HN 0.488 nan 8.310 nan 0.000 0.479 436 W N 1.045 122.193 121.300 -0.254 0.000 2.418 436 W HA 0.118 4.778 4.660 0.000 0.000 0.319 436 W C 2.216 178.369 176.519 -0.611 0.000 1.183 436 W CA 1.904 58.924 57.345 -0.541 0.000 1.327 436 W CB -0.610 28.485 29.460 -0.609 0.000 1.163 436 W HN 0.679 nan 8.180 nan 0.000 0.479 437 Q N -0.071 119.336 119.800 -0.656 0.000 2.172 437 Q HA 0.086 4.426 4.340 0.000 0.000 0.200 437 Q C 2.056 177.796 176.000 -0.435 0.000 0.964 437 Q CA 1.900 57.205 55.803 -0.830 0.000 0.855 437 Q CB -0.827 27.397 28.738 -0.858 0.000 0.918 437 Q HN 0.599 nan 8.270 nan 0.000 0.444 438 G N -0.229 108.430 108.800 -0.235 0.000 2.234 438 G HA2 -0.350 3.610 3.960 0.000 0.000 0.260 438 G HA3 -0.350 3.610 3.960 0.000 0.000 0.260 438 G C 1.129 175.993 174.900 -0.061 0.000 0.987 438 G CA 1.063 46.110 45.100 -0.088 0.000 0.625 438 G HN 0.389 nan 8.290 nan 0.000 0.532 439 T N 0.996 115.484 114.554 -0.110 0.000 2.778 439 T HA -0.062 4.288 4.350 0.000 0.000 0.269 439 T C 1.738 176.425 174.700 -0.022 0.000 1.050 439 T CA 2.339 64.403 62.100 -0.059 0.000 1.137 439 T CB -0.334 68.493 68.868 -0.069 0.000 0.860 439 T HN 0.923 nan 8.240 nan 0.000 0.468 440 D N -0.706 119.679 120.400 -0.026 0.000 2.433 440 D HA 0.064 4.704 4.640 0.000 0.000 0.211 440 D C 0.163 176.457 176.300 -0.009 0.000 1.114 440 D CA -0.460 53.532 54.000 -0.013 0.000 0.837 440 D CB -0.178 40.609 40.800 -0.020 0.000 0.984 440 D HN 0.056 nan 8.370 nan 0.000 0.505 441 N N 1.089 119.793 118.700 0.007 0.000 2.441 441 N HA 0.194 4.934 4.740 0.000 0.000 0.251 441 N C 0.211 175.762 175.510 0.068 0.000 1.242 441 N CA 0.529 53.578 53.050 -0.001 0.000 0.898 441 N CB 1.055 39.594 38.487 0.087 0.000 1.100 441 N HN 0.317 nan 8.380 nan 0.000 0.443 442 T N -1.682 112.891 114.554 0.033 0.000 2.888 442 T HA 0.345 4.695 4.350 0.000 0.000 0.288 442 T C 1.030 175.836 174.700 0.177 0.000 1.063 442 T CA -0.871 61.291 62.100 0.104 0.000 1.010 442 T CB 0.888 69.785 68.868 0.049 0.000 1.214 442 T HN 0.162 nan 8.240 nan 0.000 0.533 443 N N 1.347 120.172 118.700 0.209 0.000 2.192 443 N HA -0.143 4.597 4.740 0.000 0.000 0.188 443 N C 2.045 177.674 175.510 0.198 0.000 1.013 443 N CA 1.685 54.899 53.050 0.273 0.000 0.863 443 N CB -0.576 38.010 38.487 0.165 0.000 0.990 443 N HN 0.786 nan 8.380 nan 0.000 0.430 444 S N -0.226 115.527 115.700 0.088 0.000 2.474 444 S HA -0.034 4.436 4.470 0.000 0.000 0.235 444 S C 1.119 175.739 174.600 0.032 0.000 0.997 444 S CA 0.660 58.897 58.200 0.061 0.000 0.949 444 S CB 0.024 63.252 63.200 0.046 0.000 0.766 444 S HN 0.139 nan 8.310 nan 0.000 0.517 445 D N 0.534 120.838 120.400 -0.159 0.000 2.363 445 D HA 0.100 4.740 4.640 0.000 0.000 0.220 445 D C -0.626 175.330 176.300 -0.573 0.000 0.994 445 D CA 0.575 54.360 54.000 -0.358 0.000 0.890 445 D CB -0.030 40.327 40.800 -0.737 0.000 0.906 445 D HN 0.528 nan 8.370 nan 0.000 0.530 446 F N 1.378 121.331 119.950 0.004 0.000 2.523 446 F HA 0.273 4.801 4.527 0.000 0.000 0.322 446 F C -2.176 173.542 175.800 -0.136 0.000 1.361 446 F CA -2.300 55.639 58.000 -0.102 0.000 1.151 446 F CB 0.932 39.890 39.000 -0.070 0.000 1.391 446 F HN -0.263 nan 8.300 nan 0.000 0.566 447 P HA 0.116 nan 4.420 nan 0.000 0.271 447 P C -0.111 177.138 177.300 -0.086 0.000 1.216 447 P CA 0.445 63.491 63.100 -0.090 0.000 0.771 447 P CB 0.831 32.429 31.700 -0.169 0.000 0.864 448 N N -1.573 117.100 118.700 -0.046 0.000 2.972 448 N HA -0.193 4.547 4.740 0.000 0.000 0.225 448 N C 0.253 175.728 175.510 -0.058 0.000 0.883 448 N CA 0.791 53.808 53.050 -0.055 0.000 1.010 448 N CB -1.536 36.904 38.487 -0.078 0.000 1.052 448 N HN 0.636 nan 8.380 nan 0.000 0.598 449 A N 0.498 123.299 122.820 -0.032 0.000 2.332 449 A HA 0.622 4.942 4.320 0.000 0.000 0.258 449 A C 0.422 177.975 177.584 -0.053 0.000 1.087 449 A CA 0.538 52.539 52.037 -0.060 0.000 0.802 449 A CB 0.591 19.556 19.000 -0.059 0.000 1.042 449 A HN 0.139 nan 8.150 nan 0.000 0.489 450 T N 1.216 115.720 114.554 -0.084 0.000 2.861 450 T HA 0.532 4.883 4.350 0.000 0.000 0.287 450 T C 0.186 174.840 174.700 -0.076 0.000 1.003 450 T CA -0.156 61.904 62.100 -0.066 0.000 0.977 450 T CB 1.325 70.149 68.868 -0.073 0.000 0.996 450 T HN 1.007 nan 8.240 nan 0.000 0.448 451 S N 2.183 117.861 115.700 -0.036 0.000 2.617 451 S HA 0.386 4.856 4.470 0.000 0.000 0.269 451 S C 1.460 176.053 174.600 -0.011 0.000 1.292 451 S CA -0.746 57.444 58.200 -0.017 0.000 1.010 451 S CB 0.216 63.449 63.200 0.055 0.000 0.944 451 S HN 0.578 nan 8.310 nan 0.000 0.536 452 I N 0.842 121.409 120.570 -0.004 0.000 2.264 452 I HA -0.129 4.041 4.170 0.000 0.000 0.248 452 I C 2.123 178.262 176.117 0.037 0.000 1.111 452 I CA 1.663 62.962 61.300 -0.002 0.000 1.382 452 I CB -0.472 37.525 38.000 -0.005 0.000 1.060 452 I HN 0.804 nan 8.210 nan 0.000 0.418 453 F N 0.825 120.753 119.950 -0.036 0.000 2.113 453 F HA -0.238 4.290 4.527 0.000 0.000 0.297 453 F C 2.750 178.537 175.800 -0.022 0.000 1.103 453 F CA 1.821 59.806 58.000 -0.024 0.000 1.248 453 F CB -0.664 38.327 39.000 -0.015 0.000 0.999 453 F HN -0.003 nan 8.300 nan 0.000 0.475 454 S N 0.023 115.608 115.700 -0.192 0.000 2.399 454 S HA -0.076 4.394 4.470 0.000 0.000 0.231 454 S C 2.302 176.733 174.600 -0.282 0.000 1.022 454 S CA 1.354 59.358 58.200 -0.325 0.000 0.983 454 S CB -1.246 61.911 63.200 -0.071 0.000 0.803 454 S HN 0.584 nan 8.310 nan 0.000 0.480 455 G N 1.103 109.795 108.800 -0.180 0.000 2.421 455 G HA2 0.002 3.962 3.960 0.000 0.000 0.217 455 G HA3 0.002 3.962 3.960 0.000 0.000 0.217 455 G C 1.397 176.205 174.900 -0.155 0.000 1.143 455 G CA 0.639 45.656 45.100 -0.138 0.000 0.784 455 G HN 0.521 nan 8.290 nan 0.000 0.541 456 L N -0.167 120.945 121.223 -0.185 0.000 2.072 456 L HA -0.039 4.301 4.340 0.000 0.000 0.205 456 L C 2.916 179.650 176.870 -0.226 0.000 1.079 456 L CA 1.343 56.087 54.840 -0.159 0.000 0.752 456 L CB -0.393 41.609 42.059 -0.095 0.000 0.906 456 L HN 0.288 nan 8.230 nan 0.000 0.436 457 Q N -0.386 119.155 119.800 -0.432 0.000 2.084 457 Q HA -0.241 4.099 4.340 0.000 0.000 0.202 457 Q C 2.402 178.265 176.000 -0.228 0.000 0.978 457 Q CA 2.059 57.613 55.803 -0.416 0.000 0.844 457 Q CB -0.060 28.243 28.738 -0.724 0.000 0.898 457 Q HN 0.371 nan 8.270 nan 0.000 0.426 458 S N -0.260 115.315 115.700 -0.207 0.000 2.356 458 S HA -0.216 4.254 4.470 0.000 0.000 0.223 458 S C 1.894 176.439 174.600 -0.091 0.000 1.032 458 S CA 1.679 59.803 58.200 -0.127 0.000 1.005 458 S CB -0.161 62.974 63.200 -0.109 0.000 0.867 458 S HN 0.515 nan 8.310 nan 0.000 0.449 459 Q N 0.273 120.020 119.800 -0.088 0.000 2.119 459 Q HA -0.057 4.283 4.340 0.000 0.000 0.201 459 Q C 2.414 178.381 176.000 -0.055 0.000 0.972 459 Q CA 1.682 57.449 55.803 -0.059 0.000 0.847 459 Q CB -0.447 28.264 28.738 -0.045 0.000 0.903 459 Q HN 0.701 nan 8.270 nan 0.000 0.433 460 V N -1.314 118.560 119.914 -0.067 0.000 2.453 460 V HA -0.173 3.947 4.120 0.000 0.000 0.247 460 V C 1.971 178.039 176.094 -0.043 0.000 1.048 460 V CA 2.037 64.308 62.300 -0.050 0.000 1.049 460 V CB -0.880 30.916 31.823 -0.044 0.000 0.672 460 V HN 0.204 nan 8.190 nan 0.000 0.457 461 T N 0.759 115.282 114.554 -0.052 0.000 2.624 461 T HA -0.242 4.108 4.350 0.000 0.000 0.268 461 T C 1.901 176.582 174.700 -0.032 0.000 1.041 461 T CA 2.598 64.674 62.100 -0.039 0.000 1.159 461 T CB -0.383 68.457 68.868 -0.046 0.000 0.863 461 T HN 0.606 nan 8.240 nan 0.000 0.434 462 K N 0.967 121.346 120.400 -0.035 0.000 2.097 462 K HA 0.044 4.364 4.320 0.000 0.000 0.206 462 K C 2.491 179.075 176.600 -0.026 0.000 1.049 462 K CA 1.207 57.477 56.287 -0.029 0.000 0.933 462 K CB -0.222 32.260 32.500 -0.029 0.000 0.717 462 K HN 0.309 nan 8.250 nan 0.000 0.442 463 A N 0.612 123.416 122.820 -0.028 0.000 2.167 463 A HA 0.113 4.433 4.320 0.000 0.000 0.214 463 A C 1.400 178.971 177.584 -0.022 0.000 1.151 463 A CA 0.954 52.976 52.037 -0.026 0.000 0.735 463 A CB -0.394 18.589 19.000 -0.028 0.000 0.802 463 A HN 0.429 nan 8.150 nan 0.000 0.467 464 G N -1.592 107.195 108.800 -0.021 0.000 2.198 464 G HA2 -0.014 3.946 3.960 0.000 0.000 0.257 464 G HA3 -0.014 3.946 3.960 0.000 0.000 0.257 464 G C 0.664 175.556 174.900 -0.014 0.000 1.042 464 G CA 0.587 45.678 45.100 -0.016 0.000 0.791 464 G HN 1.255 nan 8.290 nan 0.000 0.502 465 G N -1.115 107.676 108.800 -0.016 0.000 2.531 465 G HA2 0.661 4.622 3.960 0.000 0.000 0.281 465 G HA3 0.661 4.622 3.960 0.000 0.000 0.281 465 G C -0.280 174.617 174.900 -0.006 0.000 1.382 465 G CA -0.540 44.552 45.100 -0.013 0.000 1.045 465 G HN 0.277 nan 8.290 nan 0.000 0.533 466 K N -0.658 119.742 120.400 0.000 0.000 2.422 466 K HA 0.626 4.946 4.320 0.000 0.000 0.251 466 K C -1.433 175.183 176.600 0.027 0.000 0.933 466 K CA -0.518 55.778 56.287 0.015 0.000 0.798 466 K CB 2.578 35.087 32.500 0.016 0.000 1.238 466 K HN 0.436 nan 8.250 nan 0.000 0.428 467 I N 0.376 120.979 120.570 0.056 0.000 2.692 467 I HA 0.336 4.506 4.170 0.000 0.000 0.293 467 I C -1.323 174.900 176.117 0.176 0.000 1.200 467 I CA -0.169 61.195 61.300 0.106 0.000 1.036 467 I CB 2.407 40.461 38.000 0.091 0.000 1.258 467 I HN 0.439 nan 8.210 nan 0.000 0.421 468 T N 7.105 121.767 114.554 0.180 0.000 2.893 468 T HA 0.483 4.834 4.350 0.000 0.000 0.293 468 T C -1.119 173.609 174.700 0.046 0.000 1.027 468 T CA -0.381 61.797 62.100 0.128 0.000 0.988 468 T CB 1.788 70.700 68.868 0.073 0.000 1.043 468 T HN 0.399 nan 8.240 nan 0.000 0.461 469 L N 2.804 123.900 121.223 -0.212 0.000 2.275 469 L HA 0.785 5.125 4.340 0.000 0.000 0.288 469 L C -0.255 176.478 176.870 -0.229 0.000 1.046 469 L CA 0.278 54.821 54.840 -0.494 0.000 0.805 469 L CB 1.410 42.750 42.059 -1.198 0.000 1.193 469 L HN 0.633 nan 8.230 nan 0.000 0.426 470 S N 3.124 118.739 115.700 -0.142 0.000 2.382 470 S HA 0.254 4.724 4.470 0.000 0.000 0.228 470 S C 0.591 175.170 174.600 -0.034 0.000 0.996 470 S CA -0.524 57.638 58.200 -0.065 0.000 1.094 470 S CB 0.327 63.528 63.200 0.002 0.000 1.209 470 S HN 0.864 nan 8.310 nan 0.000 0.420 471 E N 1.808 121.983 120.200 -0.042 0.000 2.136 471 E HA -0.173 4.178 4.350 0.000 0.000 0.202 471 E C 1.536 178.156 176.600 0.033 0.000 1.019 471 E CA 1.885 58.284 56.400 -0.002 0.000 0.819 471 E CB -0.011 29.696 29.700 0.012 0.000 0.739 471 E HN 0.775 nan 8.360 nan 0.000 0.458 472 S N -1.109 114.616 115.700 0.042 0.000 2.605 472 S HA 0.251 4.722 4.470 0.000 0.000 0.217 472 S C 1.281 175.913 174.600 0.052 0.000 0.958 472 S CA 0.179 58.414 58.200 0.058 0.000 0.919 472 S CB 0.713 63.956 63.200 0.072 0.000 0.780 472 S HN 0.390 nan 8.310 nan 0.000 0.507 473 G N 1.001 109.839 108.800 0.063 0.000 2.160 473 G HA2 -0.237 3.723 3.960 0.000 0.000 0.244 473 G HA3 -0.237 3.723 3.960 0.000 0.000 0.244 473 G C -0.344 174.685 174.900 0.215 0.000 1.022 473 G CA -0.044 45.130 45.100 0.124 0.000 0.741 473 G HN 0.635 nan 8.290 nan 0.000 0.508 474 E N -0.719 119.553 120.200 0.118 0.000 2.383 474 E HA 0.593 4.944 4.350 0.000 0.000 0.264 474 E C 0.154 176.858 176.600 0.174 0.000 1.050 474 E CA 0.160 56.590 56.400 0.051 0.000 0.896 474 E CB 0.562 30.262 29.700 -0.000 0.000 0.982 474 E HN 0.869 nan 8.360 nan 0.000 0.424 475 Y N -2.120 118.176 120.300 -0.006 0.000 2.732 475 Y HA 0.276 4.826 4.550 0.000 0.000 0.342 475 Y C -0.201 175.699 175.900 -0.001 0.000 1.203 475 Y CA -0.931 57.167 58.100 -0.004 0.000 1.092 475 Y CB 0.605 39.065 38.460 -0.001 0.000 1.345 475 Y HN 0.290 nan 8.280 nan 0.000 0.458 476 T N -0.465 114.176 114.554 0.145 0.000 3.156 476 T HA 0.139 4.489 4.350 0.000 0.000 0.236 476 T C 0.173 174.980 174.700 0.179 0.000 0.978 476 T CA 0.754 62.890 62.100 0.060 0.000 1.240 476 T CB -0.224 68.667 68.868 0.038 0.000 0.951 476 T HN 0.585 nan 8.240 nan 0.000 0.420 477 S N 2.326 118.143 115.700 0.196 0.000 2.528 477 S HA 0.345 4.816 4.470 0.000 0.000 0.277 477 S C -0.029 174.709 174.600 0.231 0.000 1.297 477 S CA -0.556 57.748 58.200 0.174 0.000 1.052 477 S CB 0.809 64.062 63.200 0.088 0.000 0.917 477 S HN 0.152 nan 8.310 nan 0.000 0.492 478 K N 4.514 125.017 120.400 0.171 0.000 2.430 478 K HA 0.082 4.402 4.320 0.000 0.000 0.280 478 K C -2.015 174.517 176.600 -0.113 0.000 1.063 478 K CA -1.174 55.103 56.287 -0.017 0.000 1.071 478 K CB 0.059 32.581 32.500 0.036 0.000 0.899 478 K HN 0.330 nan 8.250 nan 0.000 0.473 479 P HA 0.061 nan 4.420 nan 0.000 0.274 479 P C -0.397 176.832 177.300 -0.118 0.000 1.246 479 P CA -0.265 62.739 63.100 -0.160 0.000 0.795 479 P CB 0.787 32.363 31.700 -0.208 0.000 1.006 480 D N -0.815 119.539 120.400 -0.076 0.000 2.224 480 D HA 0.023 4.663 4.640 0.000 0.000 0.205 480 D C 0.508 176.768 176.300 -0.066 0.000 0.965 480 D CA 1.171 55.135 54.000 -0.059 0.000 0.852 480 D CB 0.249 41.024 40.800 -0.043 0.000 0.947 480 D HN 0.068 nan 8.370 nan 0.000 0.494 481 V N -0.682 119.187 119.914 -0.076 0.000 3.098 481 V HA 0.572 4.692 4.120 0.000 0.000 0.294 481 V C -1.876 174.172 176.094 -0.077 0.000 1.351 481 V CA -0.879 61.380 62.300 -0.068 0.000 0.999 481 V CB 2.163 33.958 31.823 -0.047 0.000 1.104 481 V HN 0.025 nan 8.190 nan 0.000 0.438 482 A N 6.510 129.287 122.820 -0.072 0.000 2.304 482 A HA 0.842 5.162 4.320 0.000 0.000 0.314 482 A C -0.766 176.794 177.584 -0.040 0.000 1.187 482 A CA -0.496 51.501 52.037 -0.067 0.000 0.810 482 A CB 0.772 19.722 19.000 -0.084 0.000 1.183 482 A HN 0.776 nan 8.150 nan 0.000 0.487 483 I N 3.300 123.857 120.570 -0.022 0.000 2.312 483 I HA 0.268 4.438 4.170 0.000 0.000 0.291 483 I C -0.641 175.465 176.117 -0.018 0.000 1.031 483 I CA -0.500 60.789 61.300 -0.017 0.000 1.293 483 I CB 1.458 39.459 38.000 0.001 0.000 1.403 483 I HN 0.310 nan 8.210 nan 0.000 0.484 484 V N 7.537 127.427 119.914 -0.039 0.000 2.313 484 V HA 0.259 4.379 4.120 0.000 0.000 0.278 484 V C 0.085 176.149 176.094 -0.051 0.000 1.017 484 V CA -0.705 61.575 62.300 -0.034 0.000 0.823 484 V CB 1.396 33.201 31.823 -0.030 0.000 1.010 484 V HN 0.389 nan 8.190 nan 0.000 0.443 485 V N 7.329 127.226 119.914 -0.027 0.000 2.318 485 V HA 0.536 4.656 4.120 0.000 0.000 0.271 485 V C 0.020 176.107 176.094 -0.011 0.000 1.030 485 V CA -0.163 62.114 62.300 -0.039 0.000 0.844 485 V CB 0.624 32.434 31.823 -0.021 0.000 1.015 485 V HN 0.831 nan 8.190 nan 0.000 0.460 486 I N 2.060 122.622 120.570 -0.014 0.000 3.108 486 I HA 1.132 5.302 4.170 0.000 0.000 0.312 486 I C 0.357 176.452 176.117 -0.038 0.000 1.095 486 I CA -0.679 60.660 61.300 0.066 0.000 1.000 486 I CB 2.434 40.545 38.000 0.185 0.000 1.229 486 I HN 0.689 nan 8.210 nan 0.000 0.454 487 G N 1.256 110.108 108.800 0.087 0.000 2.368 487 G HA2 0.151 4.112 3.960 0.000 0.000 0.269 487 G HA3 0.151 4.112 3.960 0.000 0.000 0.269 487 G C -1.760 173.284 174.900 0.240 0.000 1.291 487 G CA -0.886 44.132 45.100 -0.136 0.000 0.903 487 G HN 0.758 nan 8.290 nan 0.000 0.483 488 E N 1.136 121.384 120.200 0.081 0.000 2.338 488 E HA 0.293 4.643 4.350 0.000 0.000 0.272 488 E C -0.187 176.464 176.600 0.085 0.000 1.029 488 E CA -0.374 56.135 56.400 0.182 0.000 0.872 488 E CB 0.881 30.723 29.700 0.237 0.000 1.015 488 E HN 0.285 nan 8.360 nan 0.000 0.417 489 E N 3.881 124.146 120.200 0.108 0.000 2.437 489 E HA 0.028 4.378 4.350 0.000 0.000 0.263 489 E C -2.032 174.594 176.600 0.044 0.000 1.030 489 E CA -1.545 54.891 56.400 0.059 0.000 0.934 489 E CB -0.165 29.571 29.700 0.060 0.000 0.943 489 E HN 0.318 nan 8.360 nan 0.000 0.444 490 P HA 0.020 nan 4.420 nan 0.000 0.269 490 P C -0.838 176.374 177.300 -0.146 0.000 1.209 490 P CA 0.331 63.306 63.100 -0.207 0.000 0.776 490 P CB 0.120 31.722 31.700 -0.162 0.000 0.876 491 Y N -1.465 118.690 120.300 -0.241 0.000 2.565 491 Y HA 0.713 5.263 4.550 0.000 0.000 0.330 491 Y C -1.852 173.813 175.900 -0.391 0.000 1.150 491 Y CA -1.740 56.164 58.100 -0.327 0.000 1.055 491 Y CB 0.473 38.824 38.460 -0.182 0.000 1.337 491 Y HN 0.581 nan 8.280 nan 0.000 0.457 492 A N 2.227 124.692 122.820 -0.592 0.000 2.365 492 A HA 0.833 5.153 4.320 0.000 0.000 0.318 492 A C -0.113 177.109 177.584 -0.603 0.000 1.091 492 A CA -0.001 51.599 52.037 -0.727 0.000 0.763 492 A CB 0.888 18.881 19.000 -1.678 0.000 1.248 492 A HN 1.068 nan 8.150 nan 0.000 0.442 493 E N -0.842 119.229 120.200 -0.215 0.000 3.259 493 E HA -0.368 3.982 4.350 0.000 0.000 0.332 493 E C 0.795 177.379 176.600 -0.026 0.000 1.477 493 E CA 2.224 58.586 56.400 -0.064 0.000 1.742 493 E CB -0.995 28.793 29.700 0.146 0.000 1.842 493 E HN 1.232 nan 8.360 nan 0.000 0.499 494 W N 0.699 122.069 121.300 0.116 0.000 2.465 494 W HA 0.106 4.766 4.660 0.000 0.000 0.268 494 W C 1.804 178.332 176.519 0.015 0.000 1.242 494 W CA 0.635 58.023 57.345 0.073 0.000 1.248 494 W CB -0.698 28.802 29.460 0.068 0.000 1.118 494 W HN 0.321 nan 8.180 nan 0.000 0.587 495 F N 1.498 121.085 119.950 -0.605 0.000 2.408 495 F HA 0.036 4.563 4.527 0.000 0.000 0.300 495 F C 2.465 178.046 175.800 -0.365 0.000 1.090 495 F CA 1.223 58.941 58.000 -0.468 0.000 1.427 495 F CB -0.359 38.258 39.000 -0.638 0.000 1.070 495 F HN 0.127 nan 8.300 nan 0.000 0.549 496 G N -1.545 107.106 108.800 -0.249 0.000 3.088 496 G HA2 -0.026 3.935 3.960 0.000 0.000 0.217 496 G HA3 -0.026 3.935 3.960 0.000 0.000 0.217 496 G C -0.213 174.413 174.900 -0.458 0.000 1.159 496 G CA -0.242 44.422 45.100 -0.726 0.000 0.760 496 G HN 0.019 nan 8.290 nan 0.000 0.550 497 D N 1.107 121.393 120.400 -0.189 0.000 2.458 497 D HA 0.331 4.971 4.640 0.000 0.000 0.243 497 D C 0.651 176.857 176.300 -0.157 0.000 1.146 497 D CA 0.380 54.324 54.000 -0.095 0.000 0.877 497 D CB 1.021 41.812 40.800 -0.015 0.000 1.176 497 D HN 0.423 nan 8.370 nan 0.000 0.461 498 I N -1.367 119.129 120.570 -0.124 0.000 2.934 498 I HA 0.441 4.611 4.170 0.000 0.000 0.306 498 I C 0.762 176.807 176.117 -0.119 0.000 1.110 498 I CA -0.854 60.375 61.300 -0.117 0.000 1.019 498 I CB 2.368 40.326 38.000 -0.069 0.000 1.227 498 I HN 0.315 nan 8.210 nan 0.000 0.434 499 E N 2.829 122.952 120.200 -0.128 0.000 2.244 499 E HA 0.207 4.557 4.350 0.000 0.000 0.196 499 E C -0.108 176.463 176.600 -0.048 0.000 0.939 499 E CA -0.052 56.248 56.400 -0.167 0.000 0.884 499 E CB 0.235 29.824 29.700 -0.184 0.000 0.850 499 E HN 0.320 nan 8.360 nan 0.000 0.481 500 L N 1.804 123.024 121.223 -0.005 0.000 2.325 500 L HA 0.288 4.629 4.340 0.000 0.000 0.279 500 L C 1.147 178.119 176.870 0.170 0.000 1.054 500 L CA -0.307 54.571 54.840 0.062 0.000 0.804 500 L CB 1.356 43.308 42.059 -0.179 0.000 1.200 500 L HN 0.214 nan 8.230 nan 0.000 0.436 501 L N 0.565 121.919 121.223 0.217 0.000 2.446 501 L HA 0.097 4.438 4.340 0.000 0.000 0.219 501 L C 0.982 178.054 176.870 0.336 0.000 1.116 501 L CA 0.151 55.135 54.840 0.239 0.000 0.844 501 L CB 0.125 42.276 42.059 0.153 0.000 0.970 501 L HN 0.703 nan 8.230 nan 0.000 0.457 502 E N 1.297 121.718 120.200 0.369 0.000 2.351 502 E HA -0.101 4.249 4.350 0.000 0.000 0.266 502 E C -0.236 176.655 176.600 0.485 0.000 1.031 502 E CA -0.488 56.263 56.400 0.583 0.000 0.911 502 E CB 0.372 30.470 29.700 0.664 0.000 0.986 502 E HN 0.035 nan 8.360 nan 0.000 0.446 503 F N 4.881 125.044 119.950 0.354 0.000 2.602 503 F HA -0.047 4.480 4.527 0.000 0.000 0.385 503 F C 0.462 176.429 175.800 0.277 0.000 1.063 503 F CA 0.647 58.843 58.000 0.327 0.000 1.233 503 F CB 0.160 39.401 39.000 0.402 0.000 1.067 503 F HN 0.724 nan 8.300 nan 0.000 0.564 504 Q N 3.399 122.943 119.800 -0.427 0.000 2.451 504 Q HA -0.377 3.964 4.340 0.000 0.000 0.305 504 Q C 0.997 176.962 176.000 -0.058 0.000 1.345 504 Q CA 1.091 56.662 55.803 -0.386 0.000 0.854 504 Q CB -1.629 26.706 28.738 -0.671 0.000 1.162 504 Q HN 0.985 nan 8.270 nan 0.000 0.440 505 H N 0.687 119.750 119.070 -0.013 0.000 2.353 505 H HA -0.165 4.391 4.556 0.000 0.000 0.298 505 H C 1.775 177.118 175.328 0.025 0.000 1.103 505 H CA 2.221 58.300 56.048 0.052 0.000 1.293 505 H CB 0.495 30.298 29.762 0.068 0.000 1.372 505 H HN 0.306 nan 8.280 nan 0.000 0.501 506 E N -0.844 119.411 120.200 0.092 0.000 2.106 506 E HA -0.105 4.245 4.350 0.000 0.000 0.192 506 E C 2.267 178.857 176.600 -0.017 0.000 0.984 506 E CA 1.781 58.203 56.400 0.036 0.000 0.806 506 E CB -0.306 29.422 29.700 0.047 0.000 0.750 506 E HN 0.785 nan 8.360 nan 0.000 0.458 507 T N -2.909 111.632 114.554 -0.022 0.000 2.999 507 T HA 0.102 4.452 4.350 0.000 0.000 0.247 507 T C 0.696 175.412 174.700 0.027 0.000 1.012 507 T CA -0.163 61.938 62.100 0.001 0.000 1.048 507 T CB 0.375 69.248 68.868 0.009 0.000 1.020 507 T HN -0.200 nan 8.240 nan 0.000 0.478 508 K N 1.091 121.495 120.400 0.008 0.000 3.016 508 K HA -0.255 4.065 4.320 0.000 0.000 0.262 508 K C 0.571 177.223 176.600 0.087 0.000 1.043 508 K CA 1.104 57.416 56.287 0.042 0.000 0.761 508 K CB -2.335 30.186 32.500 0.035 0.000 1.230 508 K HN 0.778 nan 8.250 nan 0.000 0.485 509 H N -0.177 118.894 119.070 0.002 0.000 2.387 509 H HA 0.075 4.631 4.556 0.000 0.000 0.299 509 H C 1.864 177.239 175.328 0.078 0.000 1.090 509 H CA 2.324 58.389 56.048 0.028 0.000 1.332 509 H CB 0.176 29.945 29.762 0.010 0.000 1.386 509 H HN 0.372 nan 8.280 nan 0.000 0.516 510 A N 0.404 123.244 122.820 0.033 0.000 1.897 510 A HA -0.058 4.262 4.320 0.000 0.000 0.215 510 A C 2.377 180.001 177.584 0.066 0.000 1.181 510 A CA 1.251 53.333 52.037 0.075 0.000 0.620 510 A CB -0.948 18.295 19.000 0.406 0.000 0.821 510 A HN 0.453 nan 8.150 nan 0.000 0.443 511 L N 0.067 121.363 121.223 0.122 0.000 2.043 511 L HA -0.196 4.145 4.340 0.000 0.000 0.212 511 L C 2.704 179.586 176.870 0.020 0.000 1.075 511 L CA 2.285 57.172 54.840 0.079 0.000 0.752 511 L CB -0.776 41.333 42.059 0.084 0.000 0.891 511 L HN 0.386 nan 8.230 nan 0.000 0.432 512 A N -0.672 122.144 122.820 -0.007 0.000 1.873 512 A HA -0.257 4.064 4.320 0.000 0.000 0.218 512 A C 2.248 179.808 177.584 -0.041 0.000 1.193 512 A CA 2.141 54.165 52.037 -0.021 0.000 0.629 512 A CB -1.212 17.775 19.000 -0.022 0.000 0.826 512 A HN 0.508 nan 8.150 nan 0.000 0.447 513 L N -0.029 121.133 121.223 -0.102 0.000 2.012 513 L HA -0.167 4.173 4.340 0.000 0.000 0.210 513 L C 2.297 179.155 176.870 -0.020 0.000 1.073 513 L CA 1.932 56.727 54.840 -0.074 0.000 0.748 513 L CB -0.718 41.264 42.059 -0.127 0.000 0.891 513 L HN 0.431 nan 8.230 nan 0.000 0.431 514 L N -0.630 120.588 121.223 -0.008 0.000 2.017 514 L HA -0.228 4.113 4.340 0.000 0.000 0.208 514 L C 2.660 179.534 176.870 0.007 0.000 1.073 514 L CA 1.634 56.478 54.840 0.007 0.000 0.745 514 L CB -0.804 41.269 42.059 0.024 0.000 0.894 514 L HN 0.241 nan 8.230 nan 0.000 0.432 515 K N -0.298 120.107 120.400 0.008 0.000 2.103 515 K HA -0.256 4.064 4.320 0.000 0.000 0.207 515 K C 2.169 178.778 176.600 0.014 0.000 1.048 515 K CA 1.422 57.715 56.287 0.009 0.000 0.930 515 K CB -0.172 32.334 32.500 0.010 0.000 0.716 515 K HN 0.153 nan 8.250 nan 0.000 0.444 516 Q N 1.348 121.158 119.800 0.017 0.000 2.045 516 Q HA -0.119 4.221 4.340 0.000 0.000 0.206 516 Q C 1.913 177.939 176.000 0.043 0.000 0.991 516 Q CA 1.622 57.444 55.803 0.031 0.000 0.851 516 Q CB -0.277 28.482 28.738 0.035 0.000 0.911 516 Q HN 0.304 nan 8.270 nan 0.000 0.418 517 L N -0.048 121.195 121.223 0.034 0.000 2.156 517 L HA -0.083 4.257 4.340 0.000 0.000 0.208 517 L C 2.524 179.399 176.870 0.007 0.000 1.095 517 L CA 1.025 55.879 54.840 0.023 0.000 0.770 517 L CB -0.472 41.585 42.059 -0.004 0.000 0.914 517 L HN 0.183 nan 8.230 nan 0.000 0.439 518 K N 0.794 121.198 120.400 0.006 0.000 2.002 518 K HA -0.175 4.145 4.320 0.000 0.000 0.209 518 K C 2.157 178.762 176.600 0.008 0.000 1.048 518 K CA 1.482 57.770 56.287 0.002 0.000 0.930 518 K CB -0.097 32.404 32.500 0.000 0.000 0.714 518 K HN 0.265 nan 8.250 nan 0.000 0.438 519 A N 1.463 124.291 122.820 0.015 0.000 2.019 519 A HA -0.139 4.181 4.320 0.000 0.000 0.219 519 A C 1.095 178.694 177.584 0.025 0.000 1.164 519 A CA 1.749 53.797 52.037 0.018 0.000 0.644 519 A CB -0.238 18.774 19.000 0.020 0.000 0.805 519 A HN 0.361 nan 8.150 nan 0.000 0.449 520 D N 0.602 121.024 120.400 0.038 0.000 2.352 520 D HA 0.034 4.674 4.640 0.000 0.000 0.236 520 D C -0.144 176.172 176.300 0.028 0.000 1.148 520 D CA 0.002 54.033 54.000 0.051 0.000 0.844 520 D CB -0.380 40.484 40.800 0.107 0.000 0.933 520 D HN 0.378 nan 8.370 nan 0.000 0.507 521 N N 0.485 119.192 118.700 0.011 0.000 2.696 521 N HA -0.221 4.519 4.740 0.000 0.000 0.249 521 N C -0.286 175.214 175.510 -0.017 0.000 1.090 521 N CA 0.547 53.595 53.050 -0.002 0.000 0.716 521 N CB -1.445 37.042 38.487 0.001 0.000 1.020 521 N HN 0.430 nan 8.380 nan 0.000 0.548 522 I N 1.304 121.857 120.570 -0.029 0.000 2.325 522 I HA 0.202 4.373 4.170 0.000 0.000 0.291 522 I C -1.912 174.176 176.117 -0.049 0.000 1.019 522 I CA -1.820 59.444 61.300 -0.060 0.000 1.302 522 I CB 0.973 38.906 38.000 -0.112 0.000 1.401 522 I HN -0.258 nan 8.210 nan 0.000 0.485 523 P HA -0.012 nan 4.420 nan 0.000 0.264 523 P C -0.646 176.630 177.300 -0.041 0.000 1.193 523 P CA 0.017 63.094 63.100 -0.037 0.000 0.763 523 P CB 0.700 32.378 31.700 -0.037 0.000 0.810 524 V N 5.263 125.158 119.914 -0.031 0.000 2.417 524 V HA 0.445 4.565 4.120 0.000 0.000 0.291 524 V C -0.846 175.231 176.094 -0.029 0.000 1.024 524 V CA -0.716 61.565 62.300 -0.031 0.000 0.861 524 V CB 1.828 33.637 31.823 -0.023 0.000 0.985 524 V HN 0.154 nan 8.190 nan 0.000 0.436 525 V N 5.999 125.890 119.914 -0.038 0.000 2.378 525 V HA 0.473 4.593 4.120 0.000 0.000 0.288 525 V C 0.305 176.347 176.094 -0.086 0.000 1.016 525 V CA -0.243 62.029 62.300 -0.046 0.000 0.840 525 V CB 1.946 33.754 31.823 -0.025 0.000 0.994 525 V HN 1.008 nan 8.190 nan 0.000 0.431 526 T N 4.843 119.303 114.554 -0.156 0.000 2.767 526 T HA 0.517 4.867 4.350 0.000 0.000 0.284 526 T C -0.259 174.183 174.700 -0.429 0.000 0.973 526 T CA -0.296 61.632 62.100 -0.287 0.000 0.996 526 T CB 1.459 70.101 68.868 -0.377 0.000 0.927 526 T HN 0.327 nan 8.240 nan 0.000 0.456 527 V N 4.665 124.397 119.914 -0.304 0.000 2.357 527 V HA 0.408 4.528 4.120 0.000 0.000 0.284 527 V C -0.671 175.279 176.094 -0.240 0.000 1.018 527 V CA -0.874 61.264 62.300 -0.269 0.000 0.841 527 V CB 0.765 32.505 31.823 -0.137 0.000 0.991 527 V HN 0.778 nan 8.190 nan 0.000 0.437 528 F N 6.307 125.935 119.950 -0.537 0.000 2.391 528 F HA 0.588 5.115 4.527 0.000 0.000 0.359 528 F C -0.156 175.483 175.800 -0.268 0.000 1.122 528 F CA -0.927 56.812 58.000 -0.435 0.000 1.120 528 F CB 0.923 39.651 39.000 -0.455 0.000 1.142 528 F HN 0.294 nan 8.300 nan 0.000 0.483 529 L N 6.314 127.238 121.223 -0.498 0.000 2.272 529 L HA 0.617 4.957 4.340 0.000 0.000 0.289 529 L C -0.217 176.321 176.870 -0.554 0.000 1.032 529 L CA -0.370 54.242 54.840 -0.381 0.000 0.810 529 L CB 1.021 42.938 42.059 -0.237 0.000 1.205 529 L HN 0.735 nan 8.230 nan 0.000 0.422 530 S N 0.677 116.181 115.700 -0.327 0.000 2.611 530 S HA 0.512 4.983 4.470 0.000 0.000 0.268 530 S C 0.059 174.693 174.600 0.056 0.000 1.156 530 S CA -0.152 57.930 58.200 -0.196 0.000 0.817 530 S CB 1.441 64.466 63.200 -0.291 0.000 1.122 530 S HN 0.593 nan 8.310 nan 0.000 0.466 531 G N 0.185 109.055 108.800 0.116 0.000 3.277 531 G HA2 0.505 4.465 3.960 0.000 0.000 0.243 531 G HA3 0.505 4.465 3.960 0.000 0.000 0.243 531 G C 0.221 175.237 174.900 0.192 0.000 1.107 531 G CA -0.414 44.787 45.100 0.170 0.000 0.771 531 G HN 0.973 nan 8.290 nan 0.000 0.544 532 R N -1.562 119.079 120.500 0.235 0.000 2.712 532 R HA 0.408 4.749 4.340 0.000 0.000 0.272 532 R C -3.612 172.799 176.300 0.184 0.000 1.032 532 R CA -1.716 54.444 56.100 0.100 0.000 0.874 532 R CB 0.249 30.574 30.300 0.040 0.000 1.256 532 R HN -0.218 nan 8.270 nan 0.000 0.468 533 P HA 0.236 nan 4.420 nan 0.000 0.271 533 P C -0.835 176.192 177.300 -0.454 0.000 1.218 533 P CA -0.201 62.446 63.100 -0.755 0.000 0.780 533 P CB 0.578 31.813 31.700 -0.774 0.000 0.901 534 L N 1.255 122.190 121.223 -0.479 0.000 2.393 534 L HA 0.436 4.776 4.340 0.000 0.000 0.260 534 L C -0.688 176.215 176.870 0.054 0.000 1.002 534 L CA -0.961 53.889 54.840 0.015 0.000 0.818 534 L CB 1.991 44.279 42.059 0.382 0.000 1.369 534 L HN 0.424 nan 8.230 nan 0.000 0.412 535 W N 3.392 124.702 121.300 0.016 0.000 2.655 535 W HA 0.365 5.026 4.660 0.000 0.000 0.333 535 W C 0.352 176.945 176.519 0.123 0.000 1.382 535 W CA -0.225 57.151 57.345 0.051 0.000 1.398 535 W CB 0.639 30.117 29.460 0.030 0.000 1.481 535 W HN 0.184 nan 8.180 nan 0.000 0.526 536 V N 3.533 123.243 119.914 -0.340 0.000 2.841 536 V HA 0.214 4.334 4.120 0.000 0.000 0.363 536 V C 0.985 176.677 176.094 -0.671 0.000 1.330 536 V CA -0.251 61.797 62.300 -0.420 0.000 1.207 536 V CB -0.321 31.247 31.823 -0.425 0.000 1.318 536 V HN 0.735 nan 8.190 nan 0.000 0.603 537 N N 1.489 119.547 118.700 -1.071 0.000 2.069 537 N HA -0.166 4.574 4.740 0.000 0.000 0.191 537 N C 1.620 176.809 175.510 -0.534 0.000 1.031 537 N CA 1.934 54.493 53.050 -0.817 0.000 0.852 537 N CB -0.032 37.915 38.487 -0.899 0.000 1.018 537 N HN 0.570 nan 8.380 nan 0.000 0.423 538 K N 1.026 121.119 120.400 -0.512 0.000 2.044 538 K HA -0.186 4.134 4.320 0.000 0.000 0.210 538 K C 1.761 178.267 176.600 -0.158 0.000 1.049 538 K CA 1.491 57.634 56.287 -0.240 0.000 0.927 538 K CB -0.072 32.344 32.500 -0.139 0.000 0.713 538 K HN 0.170 nan 8.250 nan 0.000 0.443 539 E N 0.772 120.880 120.200 -0.153 0.000 2.208 539 E HA -0.076 4.275 4.350 0.000 0.000 0.193 539 E C 1.883 178.440 176.600 -0.071 0.000 0.988 539 E CA 0.565 56.942 56.400 -0.039 0.000 0.828 539 E CB -0.048 29.693 29.700 0.067 0.000 0.763 539 E HN 0.169 nan 8.360 nan 0.000 0.478 540 L N 0.841 121.889 121.223 -0.292 0.000 1.976 540 L HA -0.217 4.123 4.340 0.000 0.000 0.209 540 L C 1.900 178.677 176.870 -0.154 0.000 1.071 540 L CA 1.098 55.745 54.840 -0.322 0.000 0.746 540 L CB -0.521 41.235 42.059 -0.506 0.000 0.890 540 L HN 0.145 nan 8.230 nan 0.000 0.432 541 N N 0.444 119.048 118.700 -0.160 0.000 2.069 541 N HA -0.243 4.497 4.740 0.000 0.000 0.196 541 N C 1.646 177.124 175.510 -0.054 0.000 1.024 541 N CA 1.861 54.852 53.050 -0.098 0.000 0.869 541 N CB -0.501 37.927 38.487 -0.097 0.000 1.035 541 N HN 0.392 nan 8.380 nan 0.000 0.434 542 A N -0.340 122.456 122.820 -0.041 0.000 2.235 542 A HA 0.140 4.460 4.320 0.000 0.000 0.208 542 A C 0.662 178.249 177.584 0.006 0.000 1.172 542 A CA 0.215 52.245 52.037 -0.011 0.000 0.786 542 A CB 0.047 19.047 19.000 -0.000 0.000 0.804 542 A HN 0.192 nan 8.150 nan 0.000 0.479 543 S N -0.413 115.297 115.700 0.017 0.000 2.568 543 S HA 0.375 4.846 4.470 0.000 0.000 0.302 543 S C -0.135 174.472 174.600 0.012 0.000 1.082 543 S CA -0.695 57.526 58.200 0.034 0.000 1.009 543 S CB 1.572 64.845 63.200 0.122 0.000 1.069 543 S HN 0.372 nan 8.310 nan 0.000 0.500 544 D N 0.913 121.314 120.400 0.002 0.000 2.259 544 D HA 0.210 4.850 4.640 0.000 0.000 0.216 544 D C 0.562 176.859 176.300 -0.005 0.000 0.961 544 D CA 0.644 54.639 54.000 -0.007 0.000 0.878 544 D CB 0.252 41.043 40.800 -0.015 0.000 1.009 544 D HN 0.546 nan 8.370 nan 0.000 0.490 545 A N 0.084 122.903 122.820 -0.001 0.000 2.380 545 A HA 0.607 4.927 4.320 0.000 0.000 0.315 545 A C -1.649 175.946 177.584 0.018 0.000 1.101 545 A CA -0.515 51.519 52.037 -0.005 0.000 0.771 545 A CB 1.687 20.680 19.000 -0.011 0.000 1.287 545 A HN 0.076 nan 8.150 nan 0.000 0.436 546 F N 1.925 121.760 119.950 -0.191 0.000 2.579 546 F HA 0.564 5.091 4.527 0.000 0.000 0.325 546 F C -1.063 174.562 175.800 -0.291 0.000 1.162 546 F CA -0.435 57.422 58.000 -0.238 0.000 0.946 546 F CB 1.879 40.695 39.000 -0.306 0.000 1.211 546 F HN 0.400 nan 8.300 nan 0.000 0.447 547 V N 5.100 124.783 119.914 -0.384 0.000 2.459 547 V HA 0.707 4.827 4.120 0.000 0.000 0.295 547 V C -0.144 175.764 176.094 -0.310 0.000 1.029 547 V CA -0.822 61.325 62.300 -0.255 0.000 0.874 547 V CB 1.595 33.367 31.823 -0.086 0.000 0.985 547 V HN 0.873 nan 8.190 nan 0.000 0.438 548 A N 3.439 126.084 122.820 -0.291 0.000 2.294 548 A HA 0.699 5.019 4.320 0.000 0.000 0.316 548 A C 0.922 178.063 177.584 -0.739 0.000 1.359 548 A CA 0.213 51.945 52.037 -0.508 0.000 0.956 548 A CB 0.684 19.255 19.000 -0.715 0.000 1.155 548 A HN 1.243 nan 8.150 nan 0.000 0.544 549 A N 2.491 125.009 122.820 -0.503 0.000 2.267 549 A HA 0.446 4.766 4.320 0.000 0.000 0.213 549 A C 0.721 178.210 177.584 -0.158 0.000 1.192 549 A CA 0.386 52.260 52.037 -0.272 0.000 0.851 549 A CB -0.814 18.105 19.000 -0.136 0.000 0.881 549 A HN 1.191 nan 8.150 nan 0.000 0.494 550 W N -1.806 119.551 121.300 0.095 0.000 1.922 550 W HA -0.300 4.361 4.660 0.000 0.000 0.275 550 W C 0.136 176.628 176.519 -0.045 0.000 1.129 550 W CA 0.550 57.927 57.345 0.053 0.000 1.077 550 W CB -1.342 28.184 29.460 0.110 0.000 0.883 550 W HN 0.078 nan 8.180 nan 0.000 0.546 551 L N 2.479 123.852 121.223 0.251 0.000 2.445 551 L HA 0.233 4.573 4.340 0.000 0.000 0.252 551 L C -1.425 175.482 176.870 0.063 0.000 1.105 551 L CA -1.642 53.229 54.840 0.051 0.000 0.943 551 L CB 0.995 43.037 42.059 -0.028 0.000 1.277 551 L HN -0.005 nan 8.230 nan 0.000 0.465 552 P HA -0.073 nan 4.420 nan 0.000 0.225 552 P C 0.987 178.270 177.300 -0.029 0.000 1.148 552 P CA 1.265 64.383 63.100 0.030 0.000 0.779 552 P CB 0.589 32.286 31.700 -0.005 0.000 0.780 553 G N 0.516 109.264 108.800 -0.086 0.000 2.512 553 G HA2 -0.290 3.670 3.960 0.000 0.000 0.240 553 G HA3 -0.290 3.670 3.960 0.000 0.000 0.240 553 G C 1.052 175.815 174.900 -0.229 0.000 1.246 553 G CA 0.588 45.599 45.100 -0.148 0.000 0.919 553 G HN 0.323 nan 8.290 nan 0.000 0.577 554 S N -0.175 115.366 115.700 -0.265 0.000 2.453 554 S HA 0.109 4.579 4.470 0.000 0.000 0.231 554 S C 0.805 175.283 174.600 -0.202 0.000 1.005 554 S CA 1.878 59.919 58.200 -0.264 0.000 0.949 554 S CB 0.134 63.184 63.200 -0.250 0.000 0.774 554 S HN 0.597 nan 8.310 nan 0.000 0.510 555 E N 2.004 122.098 120.200 -0.176 0.000 2.069 555 E HA 0.351 4.702 4.350 0.000 0.000 0.254 555 E C 1.206 177.737 176.600 -0.114 0.000 1.088 555 E CA -0.080 56.238 56.400 -0.137 0.000 1.017 555 E CB 0.085 29.708 29.700 -0.128 0.000 1.226 555 E HN 0.470 nan 8.360 nan 0.000 0.458 556 G N 2.524 111.257 108.800 -0.112 0.000 2.469 556 G HA2 -0.341 3.619 3.960 0.000 0.000 0.219 556 G HA3 -0.341 3.619 3.960 0.000 0.000 0.219 556 G C 1.150 176.000 174.900 -0.083 0.000 1.150 556 G CA 0.677 45.722 45.100 -0.092 0.000 0.763 556 G HN 0.345 nan 8.290 nan 0.000 0.561 557 E N 0.685 120.834 120.200 -0.086 0.000 2.171 557 E HA -0.048 4.302 4.350 0.000 0.000 0.197 557 E C 2.492 179.042 176.600 -0.084 0.000 0.997 557 E CA 0.952 57.304 56.400 -0.080 0.000 0.810 557 E CB -1.087 28.568 29.700 -0.075 0.000 0.738 557 E HN 0.353 nan 8.360 nan 0.000 0.467 558 G N 0.791 109.530 108.800 -0.101 0.000 2.462 558 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 558 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 558 G C 1.677 176.502 174.900 -0.125 0.000 1.121 558 G CA 0.924 45.945 45.100 -0.133 0.000 0.758 558 G HN 0.267 nan 8.290 nan 0.000 0.559 559 V N 1.059 120.919 119.914 -0.091 0.000 2.427 559 V HA -0.055 4.065 4.120 0.000 0.000 0.248 559 V C 3.221 179.278 176.094 -0.062 0.000 1.051 559 V CA 1.885 64.140 62.300 -0.076 0.000 1.048 559 V CB -0.487 31.304 31.823 -0.053 0.000 0.666 559 V HN 0.475 nan 8.190 nan 0.000 0.456 560 A N -0.214 122.575 122.820 -0.053 0.000 1.897 560 A HA -0.197 4.123 4.320 0.000 0.000 0.215 560 A C 1.946 179.526 177.584 -0.008 0.000 1.181 560 A CA 1.636 53.653 52.037 -0.033 0.000 0.620 560 A CB -0.619 18.354 19.000 -0.046 0.000 0.821 560 A HN 0.498 nan 8.150 nan 0.000 0.443 561 D N -0.170 120.224 120.400 -0.009 0.000 2.170 561 D HA -0.156 4.485 4.640 0.000 0.000 0.193 561 D C 1.904 178.275 176.300 0.119 0.000 1.004 561 D CA 1.774 55.821 54.000 0.079 0.000 0.860 561 D CB -0.269 40.513 40.800 -0.031 0.000 0.931 561 D HN 0.284 nan 8.370 nan 0.000 0.448 562 V N 0.171 120.066 119.914 -0.031 0.000 2.492 562 V HA -0.030 4.090 4.120 0.000 0.000 0.241 562 V C 2.465 178.559 176.094 -0.001 0.000 1.041 562 V CA 0.506 62.730 62.300 -0.127 0.000 1.057 562 V CB -0.189 31.343 31.823 -0.486 0.000 0.711 562 V HN 0.163 nan 8.190 nan 0.000 0.468 563 L N -0.362 120.874 121.223 0.021 0.000 2.275 563 L HA 0.014 4.355 4.340 0.000 0.000 0.215 563 L C 0.554 177.475 176.870 0.085 0.000 1.119 563 L CA 0.751 55.660 54.840 0.115 0.000 0.790 563 L CB -0.168 41.937 42.059 0.076 0.000 0.919 563 L HN 0.255 nan 8.230 nan 0.000 0.443 564 L N -0.657 120.596 121.223 0.050 0.000 2.334 564 L HA 0.305 4.645 4.340 0.000 0.000 0.273 564 L C 0.701 177.579 176.870 0.014 0.000 1.013 564 L CA -0.271 54.579 54.840 0.016 0.000 0.816 564 L CB 1.673 43.733 42.059 0.000 0.000 1.278 564 L HN 0.004 nan 8.230 nan 0.000 0.431 565 T N -0.746 113.797 114.554 -0.019 0.000 2.754 565 T HA 0.329 4.679 4.350 0.000 0.000 0.286 565 T C 0.386 175.071 174.700 -0.025 0.000 0.997 565 T CA -0.697 61.385 62.100 -0.030 0.000 0.982 565 T CB 0.401 69.239 68.868 -0.050 0.000 1.027 565 T HN 0.625 nan 8.240 nan 0.000 0.529 566 N N -0.004 118.675 118.700 -0.035 0.000 2.364 566 N HA 0.115 4.856 4.740 0.000 0.000 0.264 566 N C 1.081 176.571 175.510 -0.034 0.000 1.263 566 N CA -0.625 52.404 53.050 -0.034 0.000 0.959 566 N CB 0.345 38.806 38.487 -0.044 0.000 1.204 566 N HN 0.907 nan 8.380 nan 0.000 0.550 567 K N -1.591 118.790 120.400 -0.031 0.000 2.218 567 K HA -0.179 4.141 4.320 0.000 0.000 0.205 567 K C 0.753 177.335 176.600 -0.030 0.000 1.046 567 K CA 1.390 57.660 56.287 -0.029 0.000 0.933 567 K CB -0.191 32.294 32.500 -0.026 0.000 0.728 567 K HN 0.410 nan 8.250 nan 0.000 0.454 568 Q N 0.120 119.900 119.800 -0.033 0.000 2.365 568 Q HA 0.097 4.437 4.340 0.000 0.000 0.203 568 Q C 0.863 176.841 176.000 -0.037 0.000 0.929 568 Q CA 0.896 56.679 55.803 -0.033 0.000 0.948 568 Q CB 0.836 29.553 28.738 -0.034 0.000 1.043 568 Q HN 0.710 nan 8.270 nan 0.000 0.505 569 G N 1.223 110.000 108.800 -0.040 0.000 2.136 569 G HA2 -0.288 3.673 3.960 0.000 0.000 0.242 569 G HA3 -0.288 3.673 3.960 0.000 0.000 0.242 569 G C 0.046 174.915 174.900 -0.052 0.000 0.989 569 G CA 0.334 45.407 45.100 -0.045 0.000 0.682 569 G HN 0.241 nan 8.290 nan 0.000 0.522 570 K N 0.778 121.147 120.400 -0.052 0.000 2.123 570 K HA 0.602 4.922 4.320 0.000 0.000 0.259 570 K C 0.690 177.255 176.600 -0.059 0.000 0.960 570 K CA -0.248 56.005 56.287 -0.056 0.000 0.872 570 K CB 0.869 33.336 32.500 -0.055 0.000 1.079 570 K HN 0.055 nan 8.250 nan 0.000 0.440 571 T N 3.173 117.696 114.554 -0.053 0.000 2.849 571 T HA -0.078 4.273 4.350 0.000 0.000 0.289 571 T C 0.985 175.649 174.700 -0.059 0.000 1.010 571 T CA 0.482 62.571 62.100 -0.019 0.000 1.161 571 T CB 0.396 69.291 68.868 0.044 0.000 0.989 571 T HN 0.533 nan 8.240 nan 0.000 0.523 572 Q N 1.654 121.423 119.800 -0.052 0.000 1.990 572 Q HA 0.182 4.522 4.340 0.000 0.000 0.195 572 Q C -0.205 175.533 176.000 -0.436 0.000 0.977 572 Q CA 0.920 56.604 55.803 -0.198 0.000 0.828 572 Q CB 0.250 28.961 28.738 -0.046 0.000 0.896 572 Q HN 0.611 nan 8.270 nan 0.000 0.447 573 F N 0.323 120.264 119.950 -0.014 0.000 2.546 573 F HA 0.292 4.820 4.527 0.000 0.000 0.320 573 F C -0.133 175.609 175.800 -0.097 0.000 1.076 573 F CA -1.222 56.738 58.000 -0.066 0.000 0.928 573 F CB 1.636 40.561 39.000 -0.125 0.000 1.189 573 F HN -0.069 nan 8.300 nan 0.000 0.465 574 D N 0.841 121.265 120.400 0.040 0.000 2.332 574 D HA 0.344 4.984 4.640 0.000 0.000 0.252 574 D C -0.816 175.299 176.300 -0.309 0.000 1.050 574 D CA -0.399 53.484 54.000 -0.196 0.000 0.970 574 D CB 0.939 41.714 40.800 -0.042 0.000 1.141 574 D HN 0.153 nan 8.370 nan 0.000 0.485 575 F N 0.014 119.701 119.950 -0.437 0.000 2.484 575 F HA 0.143 4.670 4.527 0.000 0.000 0.360 575 F C 1.868 177.573 175.800 -0.160 0.000 1.101 575 F CA 0.358 58.195 58.000 -0.272 0.000 1.251 575 F CB 1.171 39.974 39.000 -0.328 0.000 1.132 575 F HN 0.347 nan 8.300 nan 0.000 0.570 576 T N -1.138 113.465 114.554 0.081 0.000 2.980 576 T HA 0.257 4.607 4.350 0.000 0.000 0.252 576 T C 1.044 175.785 174.700 0.067 0.000 0.962 576 T CA 0.220 62.349 62.100 0.049 0.000 0.932 576 T CB -0.476 68.407 68.868 0.024 0.000 1.188 576 T HN 0.687 nan 8.240 nan 0.000 0.500 577 G N 2.321 111.195 108.800 0.124 0.000 2.368 577 G HA2 0.404 4.364 3.960 0.000 0.000 0.233 577 G HA3 0.404 4.364 3.960 0.000 0.000 0.233 577 G C -0.619 174.336 174.900 0.092 0.000 1.267 577 G CA -0.162 45.027 45.100 0.149 0.000 0.873 577 G HN 0.298 nan 8.290 nan 0.000 0.539 578 K N 1.635 122.081 120.400 0.076 0.000 2.443 578 K HA 0.229 4.549 4.320 0.000 0.000 0.252 578 K C -0.676 175.956 176.600 0.053 0.000 0.933 578 K CA -1.234 55.064 56.287 0.018 0.000 0.792 578 K CB 2.397 34.862 32.500 -0.058 0.000 1.185 578 K HN 0.245 nan 8.250 nan 0.000 0.425 579 L N 2.759 124.069 121.223 0.145 0.000 2.737 579 L HA -0.104 4.236 4.340 0.000 0.000 0.279 579 L C 1.386 178.216 176.870 -0.067 0.000 1.200 579 L CA 0.953 55.939 54.840 0.242 0.000 0.952 579 L CB -0.325 41.977 42.059 0.405 0.000 1.240 579 L HN 0.784 nan 8.230 nan 0.000 0.486 580 S N 2.805 118.507 115.700 0.003 0.000 2.556 580 S HA 0.267 4.737 4.470 0.000 0.000 0.216 580 S C 0.177 174.773 174.600 -0.007 0.000 0.970 580 S CA -0.301 57.842 58.200 -0.095 0.000 0.912 580 S CB -0.078 63.069 63.200 -0.087 0.000 0.790 580 S HN 0.285 nan 8.310 nan 0.000 0.504 581 F N 1.471 121.562 119.950 0.235 0.000 2.561 581 F HA 0.494 5.022 4.527 0.001 0.000 0.313 581 F C 0.226 176.265 175.800 0.399 0.000 1.126 581 F CA -0.874 57.305 58.000 0.299 0.000 0.918 581 F CB 2.030 41.144 39.000 0.189 0.000 1.199 581 F HN -0.132 nan 8.300 nan 0.000 0.444 582 S N 2.261 118.295 115.700 0.557 0.000 2.560 582 S HA -0.035 4.435 4.470 0.000 0.000 0.284 582 S C -0.843 174.023 174.600 0.443 0.000 1.327 582 S CA -0.338 58.165 58.200 0.506 0.000 1.055 582 S CB 0.517 64.002 63.200 0.475 0.000 0.868 582 S HN 0.525 nan 8.310 nan 0.000 0.506 583 W N 5.506 126.962 121.300 0.260 0.000 2.349 583 W HA 0.307 4.967 4.660 0.000 0.000 0.309 583 W C -2.785 173.762 176.519 0.046 0.000 1.083 583 W CA -2.702 54.769 57.345 0.210 0.000 1.224 583 W CB 1.261 30.891 29.460 0.284 0.000 1.256 583 W HN 0.409 nan 8.180 nan 0.000 0.461 584 P HA 0.058 nan 4.420 nan 0.000 0.271 584 P C 0.054 177.446 177.300 0.154 0.000 1.216 584 P CA 0.294 63.430 63.100 0.060 0.000 0.776 584 P CB 1.798 33.521 31.700 0.038 0.000 0.881 585 K N 2.032 122.421 120.400 -0.018 0.000 2.287 585 K HA 0.069 4.389 4.320 0.000 0.000 0.199 585 K C -0.099 176.395 176.600 -0.177 0.000 1.061 585 K CA 0.494 56.629 56.287 -0.253 0.000 0.976 585 K CB 0.218 32.362 32.500 -0.593 0.000 0.898 585 K HN 0.371 nan 8.250 nan 0.000 0.492 586 Y N 1.376 121.729 120.300 0.089 0.000 2.446 586 Y HA 0.111 4.662 4.550 0.000 0.000 0.338 586 Y C 0.552 176.055 175.900 -0.662 0.000 1.055 586 Y CA -1.430 56.525 58.100 -0.242 0.000 1.101 586 Y CB 1.248 39.573 38.460 -0.224 0.000 1.221 586 Y HN 0.125 nan 8.280 nan 0.000 0.460 587 D N -0.133 119.528 120.400 -1.231 0.000 2.403 587 D HA -0.142 4.498 4.640 0.000 0.000 0.227 587 D C -0.031 175.897 176.300 -0.621 0.000 0.995 587 D CA 0.897 54.285 54.000 -1.021 0.000 0.928 587 D CB -0.149 39.938 40.800 -1.188 0.000 0.887 587 D HN 0.754 nan 8.370 nan 0.000 0.529 588 D N -0.799 119.229 120.400 -0.619 0.000 2.540 588 D HA -0.035 4.605 4.640 0.000 0.000 0.229 588 D C 0.275 176.005 176.300 -0.949 0.000 1.250 588 D CA -0.284 53.130 54.000 -0.976 0.000 0.817 588 D CB -0.747 39.718 40.800 -0.559 0.000 1.060 588 D HN 0.073 nan 8.370 nan 0.000 0.508 589 Q N 0.536 120.029 119.800 -0.511 0.000 3.159 589 Q HA 0.170 4.510 4.340 0.000 0.000 0.280 589 Q C 0.001 175.913 176.000 -0.147 0.000 1.403 589 Q CA -0.284 55.384 55.803 -0.225 0.000 0.957 589 Q CB -0.098 28.608 28.738 -0.052 0.000 1.729 589 Q HN 0.156 nan 8.270 nan 0.000 0.551 590 F N -0.007 119.972 119.950 0.048 0.000 2.113 590 F HA -0.113 4.414 4.527 0.000 0.000 0.297 590 F C 1.747 177.598 175.800 0.085 0.000 1.103 590 F CA 0.700 58.733 58.000 0.055 0.000 1.248 590 F CB -0.369 38.651 39.000 0.034 0.000 0.999 590 F HN 0.127 nan 8.300 nan 0.000 0.475 591 T N -0.015 114.702 114.554 0.272 0.000 2.832 591 T HA 0.539 4.889 4.350 0.000 0.000 0.313 591 T C -0.865 173.943 174.700 0.180 0.000 1.035 591 T CA -0.525 61.698 62.100 0.205 0.000 0.950 591 T CB 0.847 69.816 68.868 0.168 0.000 0.984 591 T HN 0.050 nan 8.240 nan 0.000 0.486 592 L N 3.595 124.940 121.223 0.204 0.000 2.457 592 L HA 0.641 4.981 4.340 0.000 0.000 0.266 592 L C -1.638 175.417 176.870 0.309 0.000 0.979 592 L CA -0.398 54.586 54.840 0.240 0.000 0.857 592 L CB 1.369 43.535 42.059 0.178 0.000 1.213 592 L HN 0.651 nan 8.230 nan 0.000 0.418 593 N N 4.162 123.054 118.700 0.319 0.000 2.287 593 N HA 0.348 5.089 4.740 0.000 0.000 0.289 593 N C -1.244 174.186 175.510 -0.133 0.000 1.066 593 N CA -0.641 52.496 53.050 0.144 0.000 0.841 593 N CB 2.821 41.332 38.487 0.040 0.000 1.599 593 N HN 0.619 nan 8.380 nan 0.000 0.476 594 L N 2.950 124.005 121.223 -0.280 0.000 2.640 594 L HA -0.049 4.291 4.340 0.000 0.000 0.280 594 L C 0.679 177.214 176.870 -0.559 0.000 1.229 594 L CA 1.085 55.546 54.840 -0.632 0.000 0.919 594 L CB -0.386 41.300 42.059 -0.622 0.000 1.168 594 L HN 0.627 nan 8.230 nan 0.000 0.496 595 N N 1.267 119.579 118.700 -0.647 0.000 2.984 595 N HA -0.197 4.543 4.740 0.000 0.000 0.227 595 N C -0.439 174.936 175.510 -0.226 0.000 0.903 595 N CA 1.125 53.966 53.050 -0.349 0.000 0.995 595 N CB -1.384 36.956 38.487 -0.245 0.000 1.065 595 N HN 0.743 nan 8.380 nan 0.000 0.585 596 D N 0.208 120.477 120.400 -0.219 0.000 2.419 596 D HA 0.252 4.893 4.640 0.000 0.000 0.236 596 D C 1.486 177.794 176.300 0.014 0.000 1.165 596 D CA 0.802 54.787 54.000 -0.026 0.000 0.882 596 D CB 0.536 41.407 40.800 0.117 0.000 1.201 596 D HN 0.316 nan 8.370 nan 0.000 0.443 597 A N 2.207 125.046 122.820 0.032 0.000 1.858 597 A HA -0.151 4.169 4.320 0.000 0.000 0.216 597 A C 1.028 178.658 177.584 0.078 0.000 1.190 597 A CA 1.314 53.375 52.037 0.040 0.000 0.617 597 A CB -0.023 18.996 19.000 0.032 0.000 0.827 597 A HN 0.526 nan 8.150 nan 0.000 0.443 598 D N -1.493 118.966 120.400 0.098 0.000 2.427 598 D HA 0.379 5.020 4.640 0.000 0.000 0.226 598 D C -1.753 174.660 176.300 0.189 0.000 1.076 598 D CA -0.297 53.773 54.000 0.117 0.000 0.849 598 D CB 0.346 41.193 40.800 0.078 0.000 1.052 598 D HN 0.320 nan 8.370 nan 0.000 0.515 599 Y N 2.934 123.259 120.300 0.042 0.000 2.363 599 Y HA 0.281 4.832 4.550 0.000 0.000 0.325 599 Y C -0.840 175.094 175.900 0.056 0.000 0.984 599 Y CA -0.738 57.393 58.100 0.051 0.000 1.248 599 Y CB 1.215 39.703 38.460 0.046 0.000 1.116 599 Y HN 0.129 nan 8.280 nan 0.000 0.470 600 D N 8.331 128.613 120.400 -0.196 0.000 3.010 600 D HA 0.268 4.908 4.640 0.000 0.000 0.347 600 D C -2.775 173.361 176.300 -0.273 0.000 1.340 600 D CA -2.069 51.825 54.000 -0.177 0.000 0.858 600 D CB 0.689 41.496 40.800 0.013 0.000 1.111 600 D HN 0.262 nan 8.370 nan 0.000 0.482 601 P HA 0.009 nan 4.420 nan 0.000 0.274 601 P C 0.978 178.092 177.300 -0.309 0.000 1.237 601 P CA -0.604 62.292 63.100 -0.341 0.000 0.793 601 P CB 1.681 33.146 31.700 -0.392 0.000 0.977 602 L N 1.754 122.794 121.223 -0.305 0.000 1.993 602 L HA 0.128 4.468 4.340 0.000 0.000 0.206 602 L C 0.505 176.856 176.870 -0.865 0.000 1.074 602 L CA 1.858 56.323 54.840 -0.625 0.000 0.746 602 L CB -0.896 40.737 42.059 -0.710 0.000 0.896 602 L HN 0.192 nan 8.230 nan 0.000 0.435 603 F N 0.284 120.106 119.950 -0.212 0.000 2.444 603 F HA 0.647 5.174 4.527 0.000 0.000 0.342 603 F C 0.632 176.419 175.800 -0.023 0.000 1.121 603 F CA -0.979 56.781 58.000 -0.399 0.000 0.997 603 F CB 0.390 38.977 39.000 -0.689 0.000 1.130 603 F HN 0.045 nan 8.300 nan 0.000 0.454 604 A N 2.835 125.770 122.820 0.193 0.000 2.386 604 A HA 0.207 4.527 4.320 0.000 0.000 0.248 604 A C -0.711 177.156 177.584 0.471 0.000 1.082 604 A CA -0.401 51.842 52.037 0.343 0.000 0.789 604 A CB -0.128 19.085 19.000 0.354 0.000 1.025 604 A HN 0.755 nan 8.150 nan 0.000 0.490 605 Y N 1.106 121.649 120.300 0.405 0.000 2.895 605 Y HA 0.206 4.756 4.550 0.000 0.000 0.334 605 Y C 1.471 177.518 175.900 0.245 0.000 1.261 605 Y CA 1.714 59.989 58.100 0.291 0.000 1.560 605 Y CB 0.137 38.708 38.460 0.185 0.000 1.253 605 Y HN 1.576 nan 8.280 nan 0.000 0.582 606 G N 3.442 112.075 108.800 -0.278 0.000 2.217 606 G HA2 -0.382 3.578 3.960 0.000 0.000 0.246 606 G HA3 -0.382 3.578 3.960 0.000 0.000 0.246 606 G C -0.060 174.871 174.900 0.052 0.000 0.990 606 G CA 0.066 45.069 45.100 -0.161 0.000 0.627 606 G HN 0.940 nan 8.290 nan 0.000 0.522 607 Y N 1.486 121.814 120.300 0.046 0.000 2.480 607 Y HA 0.413 4.963 4.550 0.000 0.000 0.338 607 Y C 0.676 176.566 175.900 -0.017 0.000 1.220 607 Y CA 1.142 59.270 58.100 0.046 0.000 1.430 607 Y CB 1.110 39.643 38.460 0.122 0.000 1.311 607 Y HN 0.926 nan 8.280 nan 0.000 0.575 608 G N 6.654 115.032 108.800 -0.703 0.000 1.895 608 G HA2 0.237 4.197 3.960 0.000 0.000 0.302 608 G HA3 0.237 4.197 3.960 0.000 0.000 0.302 608 G C -1.733 172.791 174.900 -0.628 0.000 1.691 608 G CA -0.958 43.802 45.100 -0.568 0.000 0.929 608 G HN 0.804 nan 8.290 nan 0.000 0.629 609 L N 1.512 122.298 121.223 -0.729 0.000 2.473 609 L HA 0.635 4.975 4.340 0.000 0.000 0.268 609 L C 1.355 178.013 176.870 -0.353 0.000 1.215 609 L CA -0.001 54.541 54.840 -0.496 0.000 0.823 609 L CB 1.023 42.827 42.059 -0.424 0.000 1.099 609 L HN 0.730 nan 8.230 nan 0.000 0.483 610 T N -3.290 111.144 114.554 -0.199 0.000 2.831 610 T HA 0.323 4.673 4.350 0.000 0.000 0.287 610 T C 0.696 175.413 174.700 0.029 0.000 1.070 610 T CA -0.618 61.421 62.100 -0.100 0.000 1.010 610 T CB 0.700 69.541 68.868 -0.044 0.000 1.264 610 T HN 0.426 nan 8.240 nan 0.000 0.532 611 Y N 0.080 120.432 120.300 0.087 0.000 2.439 611 Y HA -0.049 4.501 4.550 0.000 0.000 0.292 611 Y C 2.767 178.676 175.900 0.016 0.000 1.130 611 Y CA -0.263 57.871 58.100 0.056 0.000 1.254 611 Y CB 0.154 38.661 38.460 0.078 0.000 1.000 611 Y HN 0.448 nan 8.280 nan 0.000 0.554 612 Q N 0.463 120.354 119.800 0.151 0.000 2.364 612 Q HA -0.063 4.277 4.340 0.000 0.000 0.207 612 Q C -0.169 175.857 176.000 0.044 0.000 0.970 612 Q CA 0.829 56.678 55.803 0.077 0.000 0.888 612 Q CB -0.374 28.392 28.738 0.048 0.000 0.951 612 Q HN 0.452 nan 8.270 nan 0.000 0.469 613 D N 1.139 121.561 120.400 0.036 0.000 2.329 613 D HA 0.128 4.769 4.640 0.000 0.000 0.246 613 D C 0.078 176.391 176.300 0.020 0.000 1.111 613 D CA 0.045 54.050 54.000 0.009 0.000 0.941 613 D CB 0.613 41.394 40.800 -0.032 0.000 1.169 613 D HN -0.056 nan 8.370 nan 0.000 0.441 614 N N 1.511 120.216 118.700 0.010 0.000 2.733 614 N HA 0.256 4.997 4.740 0.000 0.000 0.271 614 N C -0.832 174.682 175.510 0.007 0.000 1.720 614 N CA -0.165 52.891 53.050 0.009 0.000 0.803 614 N CB 0.954 39.445 38.487 0.008 0.000 1.208 614 N HN 0.299 nan 8.380 nan 0.000 0.498 615 I N 0.163 120.736 120.570 0.005 0.000 2.530 615 I HA 0.380 4.551 4.170 0.000 0.000 0.297 615 I C -0.343 175.782 176.117 0.013 0.000 1.011 615 I CA -0.906 60.403 61.300 0.015 0.000 1.107 615 I CB 1.778 39.795 38.000 0.029 0.000 1.285 615 I HN -0.101 nan 8.210 nan 0.000 0.436 616 N N 3.664 122.374 118.700 0.016 0.000 2.408 616 N HA 0.367 5.108 4.740 0.000 0.000 0.280 616 N C -0.763 174.759 175.510 0.021 0.000 1.002 616 N CA -0.433 52.623 53.050 0.010 0.000 0.907 616 N CB 2.130 40.618 38.487 0.001 0.000 1.161 616 N HN 0.260 nan 8.380 nan 0.000 0.488 617 V N 5.034 124.961 119.914 0.022 0.000 2.439 617 V HA 0.207 4.327 4.120 0.000 0.000 0.271 617 V C -1.483 174.603 176.094 -0.014 0.000 1.040 617 V CA -1.019 61.296 62.300 0.025 0.000 1.002 617 V CB 0.412 32.263 31.823 0.047 0.000 1.000 617 V HN 0.635 nan 8.190 nan 0.000 0.477 618 P HA 0.146 nan 4.420 nan 0.000 0.275 618 P C -0.349 176.916 177.300 -0.058 0.000 1.270 618 P CA -0.287 62.791 63.100 -0.037 0.000 0.791 618 P CB 0.561 32.239 31.700 -0.036 0.000 1.089 619 V N 0.830 120.713 119.914 -0.052 0.000 2.529 619 V HA -0.031 4.089 4.120 0.000 0.000 0.292 619 V C 0.902 176.951 176.094 -0.076 0.000 1.028 619 V CA 0.135 62.398 62.300 -0.061 0.000 1.074 619 V CB -0.535 31.264 31.823 -0.041 0.000 0.958 619 V HN 0.284 nan 8.190 nan 0.000 0.481 620 L N 4.116 125.274 121.223 -0.108 0.000 2.421 620 L HA 0.384 4.725 4.340 0.000 0.000 0.263 620 L C 0.712 177.539 176.870 -0.070 0.000 1.122 620 L CA 0.507 55.269 54.840 -0.129 0.000 0.804 620 L CB 1.448 43.377 42.059 -0.217 0.000 1.150 620 L HN 0.792 nan 8.230 nan 0.000 0.457 621 S N 0.743 116.426 115.700 -0.029 0.000 2.528 621 S HA 0.158 4.628 4.470 0.000 0.000 0.277 621 S C 0.532 175.211 174.600 0.131 0.000 1.297 621 S CA -0.242 57.995 58.200 0.061 0.000 1.052 621 S CB 0.208 63.479 63.200 0.118 0.000 0.917 621 S HN 0.638 nan 8.310 nan 0.000 0.492 622 E N 2.438 122.724 120.200 0.143 0.000 2.465 622 E HA 0.103 4.453 4.350 0.000 0.000 0.195 622 E C -0.445 176.360 176.600 0.342 0.000 1.028 622 E CA -0.194 56.339 56.400 0.221 0.000 0.899 622 E CB 0.274 30.033 29.700 0.099 0.000 1.032 622 E HN 0.509 nan 8.360 nan 0.000 0.468 623 K N 2.333 122.895 120.400 0.272 0.000 2.416 623 K HA 0.045 4.365 4.320 0.000 0.000 0.283 623 K C 0.207 176.882 176.600 0.125 0.000 1.037 623 K CA 0.148 56.542 56.287 0.177 0.000 0.995 623 K CB 0.626 33.194 32.500 0.114 0.000 0.938 623 K HN 0.019 nan 8.250 nan 0.000 0.475 624 T N -0.588 113.985 114.554 0.031 0.000 2.875 624 T HA 0.333 4.683 4.350 0.000 0.000 0.284 624 T C 0.254 174.877 174.700 -0.129 0.000 0.995 624 T CA -1.113 60.895 62.100 -0.153 0.000 1.060 624 T CB 1.274 70.112 68.868 -0.050 0.000 0.967 624 T HN 0.484 nan 8.240 nan 0.000 0.476 625 S N 2.723 118.299 115.700 -0.207 0.000 2.585 625 S HA 0.457 4.927 4.470 0.000 0.000 0.273 625 S C -2.025 172.523 174.600 -0.087 0.000 1.339 625 S CA -0.943 57.165 58.200 -0.153 0.000 1.028 625 S CB -0.740 62.340 63.200 -0.200 0.000 0.906 625 S HN 0.737 nan 8.310 nan 0.000 0.528 635 H N 2.927 122.066 119.070 0.117 0.000 2.685 635 H HA 0.604 5.161 4.556 0.000 0.000 0.286 635 H C -2.864 172.443 175.328 -0.034 0.000 1.102 635 H CA -1.452 54.637 56.048 0.068 0.000 1.254 635 H CB 0.929 30.764 29.762 0.121 0.000 1.397 635 H HN 0.410 nan 8.280 nan 0.000 0.473 636 P HA 0.026 nan 4.420 nan 0.000 0.276 636 P C 0.145 177.235 177.300 -0.349 0.000 1.235 636 P CA 0.003 62.945 63.100 -0.264 0.000 0.772 636 P CB 1.375 32.946 31.700 -0.215 0.000 0.871 637 L N 1.939 123.037 121.223 -0.209 0.000 2.349 637 L HA 0.311 4.651 4.340 0.000 0.000 0.200 637 L C 0.594 177.397 176.870 -0.111 0.000 1.064 637 L CA 0.631 55.350 54.840 -0.201 0.000 0.821 637 L CB 0.035 41.989 42.059 -0.175 0.000 1.027 637 L HN 0.268 nan 8.230 nan 0.000 0.476 638 F N 0.938 120.779 119.950 -0.182 0.000 2.902 638 F HA 0.490 5.018 4.527 0.000 0.000 0.368 638 F C -1.171 174.606 175.800 -0.040 0.000 1.202 638 F CA -0.701 57.233 58.000 -0.110 0.000 1.109 638 F CB 1.186 40.150 39.000 -0.059 0.000 1.418 638 F HN -0.407 nan 8.300 nan 0.000 0.527 639 V N 7.642 127.266 119.914 -0.484 0.000 2.276 639 V HA 0.397 4.517 4.120 0.000 0.000 0.268 639 V C 0.555 176.314 176.094 -0.558 0.000 1.032 639 V CA -0.425 61.619 62.300 -0.427 0.000 0.810 639 V CB 0.695 32.369 31.823 -0.247 0.000 1.060 639 V HN 0.883 nan 8.190 nan 0.000 0.446 640 R N 1.226 121.283 120.500 -0.739 0.000 3.870 640 R HA -0.176 4.165 4.340 0.000 0.000 0.463 640 R C 0.450 176.403 176.300 -0.578 0.000 0.790 640 R CA 1.265 57.015 56.100 -0.584 0.000 1.576 640 R CB -1.505 28.540 30.300 -0.424 0.000 2.233 640 R HN 0.872 nan 8.270 nan 0.000 0.463 641 S N -0.667 114.593 115.700 -0.733 0.000 2.565 641 S HA 0.506 4.977 4.470 0.000 0.000 0.274 641 S C -0.253 174.180 174.600 -0.277 0.000 1.144 641 S CA -1.186 56.778 58.200 -0.393 0.000 0.849 641 S CB 1.687 64.816 63.200 -0.118 0.000 1.103 641 S HN 0.166 nan 8.310 nan 0.000 0.455 642 L N 2.018 123.350 121.223 0.181 0.000 2.640 642 L HA 0.303 4.644 4.340 0.000 0.000 0.280 642 L C 1.204 178.038 176.870 -0.061 0.000 1.229 642 L CA 0.373 55.278 54.840 0.107 0.000 0.919 642 L CB -0.242 41.837 42.059 0.034 0.000 1.168 642 L HN 0.977 nan 8.230 nan 0.000 0.496 643 A N 5.014 127.762 122.820 -0.120 0.000 2.296 643 A HA 0.303 4.623 4.320 0.000 0.000 0.264 643 A C 0.131 177.656 177.584 -0.099 0.000 1.097 643 A CA -0.604 51.352 52.037 -0.135 0.000 0.811 643 A CB 0.257 19.142 19.000 -0.191 0.000 1.072 643 A HN 0.725 nan 8.150 nan 0.000 0.495 644 K N 0.940 121.300 120.400 -0.068 0.000 2.511 644 K HA -0.022 4.298 4.320 0.000 0.000 0.280 644 K C 0.397 176.989 176.600 -0.013 0.000 1.008 644 K CA 1.077 57.347 56.287 -0.028 0.000 1.050 644 K CB -0.005 32.492 32.500 -0.006 0.000 0.889 644 K HN 0.792 nan 8.250 nan 0.000 0.484 645 N N 0.588 119.287 118.700 -0.001 0.000 2.980 645 N HA -0.137 4.603 4.740 0.000 0.000 0.213 645 N C -1.091 174.396 175.510 -0.039 0.000 0.892 645 N CA 1.262 54.330 53.050 0.030 0.000 1.025 645 N CB -0.370 38.188 38.487 0.119 0.000 1.030 645 N HN 0.414 nan 8.380 nan 0.000 0.585 646 M N 0.246 119.771 119.600 -0.126 0.000 2.423 646 M HA 0.608 5.088 4.480 0.000 0.000 0.335 646 M C 0.514 176.685 176.300 -0.215 0.000 1.177 646 M CA -0.259 54.891 55.300 -0.250 0.000 1.038 646 M CB 1.155 33.556 32.600 -0.331 0.000 1.641 646 M HN 0.147 nan 8.290 nan 0.000 0.455 647 T N 0.982 115.372 114.554 -0.274 0.000 2.889 647 T HA 0.576 4.927 4.350 0.000 0.000 0.315 647 T C -1.996 172.547 174.700 -0.262 0.000 1.291 647 T CA -0.501 61.478 62.100 -0.202 0.000 1.028 647 T CB 0.824 69.661 68.868 -0.053 0.000 1.235 647 T HN 0.561 nan 8.240 nan 0.000 0.491 648 W N 2.357 123.655 121.300 -0.002 0.000 2.251 648 W HA 0.577 5.237 4.660 0.000 0.000 0.329 648 W C 0.603 177.118 176.519 -0.006 0.000 1.234 648 W CA -0.591 56.750 57.345 -0.008 0.000 1.228 648 W CB 0.752 30.233 29.460 0.035 0.000 1.135 648 W HN 0.446 nan 8.180 nan 0.000 0.576 649 Q N 2.452 122.406 119.800 0.256 0.000 2.340 649 Q HA 0.518 4.858 4.340 0.000 0.000 0.268 649 Q C -1.392 174.666 176.000 0.097 0.000 1.031 649 Q CA -1.192 54.693 55.803 0.138 0.000 0.804 649 Q CB 2.215 31.006 28.738 0.090 0.000 1.286 649 Q HN 0.268 nan 8.270 nan 0.000 0.448 650 L N 1.783 123.038 121.223 0.053 0.000 2.343 650 L HA 0.690 5.030 4.340 0.000 0.000 0.278 650 L C -0.842 176.023 176.870 -0.008 0.000 0.996 650 L CA -0.247 54.587 54.840 -0.009 0.000 0.831 650 L CB 1.938 43.977 42.059 -0.033 0.000 1.232 650 L HN 0.676 nan 8.230 nan 0.000 0.413 651 A N 2.041 124.856 122.820 -0.009 0.000 2.410 651 A HA 0.715 5.036 4.320 0.000 0.000 0.289 651 A C -0.831 176.758 177.584 0.008 0.000 1.200 651 A CA -0.713 51.330 52.037 0.010 0.000 0.751 651 A CB 0.347 19.367 19.000 0.032 0.000 1.161 651 A HN 0.686 nan 8.150 nan 0.000 0.459 652 D N 1.207 121.606 120.400 -0.001 0.000 2.511 652 D HA 0.458 5.099 4.640 0.000 0.000 0.276 652 D C 1.192 177.501 176.300 0.016 0.000 1.220 652 D CA 0.399 54.403 54.000 0.005 0.000 1.077 652 D CB 0.150 40.946 40.800 -0.008 0.000 1.126 652 D HN 0.320 nan 8.370 nan 0.000 0.583 653 T N -4.899 109.665 114.554 0.016 0.000 3.001 653 T HA 0.095 4.445 4.350 0.000 0.000 0.251 653 T C 1.554 176.260 174.700 0.011 0.000 1.040 653 T CA 0.493 62.603 62.100 0.016 0.000 0.985 653 T CB -0.135 68.745 68.868 0.019 0.000 1.011 653 T HN 0.295 nan 8.240 nan 0.000 0.509 654 S N 1.708 117.412 115.700 0.007 0.000 2.460 654 S HA 0.180 4.650 4.470 0.000 0.000 0.226 654 S C 1.208 175.809 174.600 0.003 0.000 1.057 654 S CA 0.742 58.944 58.200 0.004 0.000 0.948 654 S CB -0.256 62.945 63.200 0.001 0.000 0.822 654 S HN 0.804 nan 8.310 nan 0.000 0.512 655 T N -0.390 114.165 114.554 0.001 0.000 2.870 655 T HA 0.668 5.018 4.350 0.000 0.000 0.277 655 T C -0.533 174.170 174.700 0.004 0.000 1.000 655 T CA -0.853 61.248 62.100 0.001 0.000 0.982 655 T CB 0.865 69.731 68.868 -0.003 0.000 1.249 655 T HN 0.258 nan 8.240 nan 0.000 0.589 656 Q N 0.795 120.598 119.800 0.005 0.000 2.396 656 Q HA 0.355 4.696 4.340 0.000 0.000 0.221 656 Q C 0.135 176.141 176.000 0.010 0.000 1.025 656 Q CA -0.752 55.056 55.803 0.009 0.000 0.946 656 Q CB 0.374 29.118 28.738 0.010 0.000 1.224 656 Q HN 0.743 nan 8.270 nan 0.000 0.539 657 K N -0.914 119.495 120.400 0.016 0.000 2.258 657 K HA 0.403 4.723 4.320 0.000 0.000 0.264 657 K C -0.866 175.746 176.600 0.021 0.000 1.007 657 K CA -0.570 55.728 56.287 0.019 0.000 0.941 657 K CB 0.563 33.080 32.500 0.028 0.000 0.966 657 K HN 0.251 nan 8.250 nan 0.000 0.480 658 V N 2.883 122.811 119.914 0.024 0.000 2.409 658 V HA 0.164 4.284 4.120 0.000 0.000 0.291 658 V C -0.682 175.442 176.094 0.050 0.000 1.020 658 V CA -1.079 61.237 62.300 0.027 0.000 0.848 658 V CB 1.265 33.096 31.823 0.014 0.000 0.990 658 V HN 0.569 nan 8.190 nan 0.000 0.430 659 L N 4.933 126.186 121.223 0.050 0.000 2.315 659 L HA 0.651 4.991 4.340 0.000 0.000 0.283 659 L C 0.528 177.447 176.870 0.082 0.000 1.089 659 L CA 0.389 55.268 54.840 0.066 0.000 0.833 659 L CB 0.821 42.910 42.059 0.048 0.000 1.170 659 L HN 0.805 nan 8.230 nan 0.000 0.442 660 A N 2.418 125.319 122.820 0.134 0.000 2.342 660 A HA 0.714 5.034 4.320 0.000 0.000 0.323 660 A C 0.319 178.033 177.584 0.217 0.000 1.125 660 A CA -0.093 52.042 52.037 0.163 0.000 0.785 660 A CB 1.168 20.277 19.000 0.181 0.000 1.221 660 A HN 0.716 nan 8.150 nan 0.000 0.463 661 S N 0.971 116.773 115.700 0.170 0.000 2.787 661 S HA 0.386 4.856 4.470 0.000 0.000 0.255 661 S C 0.882 175.585 174.600 0.171 0.000 1.051 661 S CA 0.269 58.571 58.200 0.169 0.000 1.124 661 S CB -0.031 63.224 63.200 0.091 0.000 1.104 661 S HN 1.202 nan 8.310 nan 0.000 0.623 662 G N 1.276 110.161 108.800 0.142 0.000 2.695 662 G HA2 0.644 4.604 3.960 0.000 0.000 0.213 662 G HA3 0.644 4.604 3.960 0.000 0.000 0.213 662 G C 0.859 175.822 174.900 0.106 0.000 1.406 662 G CA -0.133 45.025 45.100 0.097 0.000 1.049 662 G HN 0.405 nan 8.290 nan 0.000 0.573 663 A N -1.266 121.578 122.820 0.039 0.000 2.095 663 A HA 0.489 4.809 4.320 0.000 0.000 0.212 663 A C 1.276 178.816 177.584 -0.073 0.000 1.162 663 A CA 1.457 53.506 52.037 0.019 0.000 0.753 663 A CB -0.309 18.702 19.000 0.019 0.000 0.840 663 A HN 1.429 nan 8.150 nan 0.000 0.468 664 S N -2.318 113.329 115.700 -0.088 0.000 2.588 664 S HA 0.858 5.328 4.470 0.000 0.000 0.275 664 S C -0.626 173.912 174.600 -0.102 0.000 1.130 664 S CA 0.002 58.123 58.200 -0.133 0.000 0.855 664 S CB 1.723 64.847 63.200 -0.126 0.000 1.116 664 S HN 1.714 nan 8.310 nan 0.000 0.472 665 A N 0.904 123.652 122.820 -0.120 0.000 2.544 665 A HA 0.874 5.194 4.320 0.000 0.000 0.291 665 A C -0.401 177.128 177.584 -0.092 0.000 1.055 665 A CA -0.286 51.705 52.037 -0.077 0.000 0.651 665 A CB 0.743 19.721 19.000 -0.037 0.000 1.296 665 A HN 2.015 nan 8.150 nan 0.000 0.431 666 T N -1.343 113.171 114.554 -0.068 0.000 2.901 666 T HA 0.771 5.121 4.350 0.000 0.000 0.293 666 T C 0.364 175.027 174.700 -0.062 0.000 1.084 666 T CA 0.180 62.234 62.100 -0.077 0.000 1.008 666 T CB 1.178 70.007 68.868 -0.066 0.000 1.170 666 T HN 2.143 nan 8.240 nan 0.000 0.509 667 S N 0.223 115.876 115.700 -0.078 0.000 2.584 667 S HA 0.373 4.843 4.470 0.000 0.000 0.270 667 S C 1.827 176.404 174.600 -0.038 0.000 1.346 667 S CA -0.146 58.020 58.200 -0.057 0.000 1.018 667 S CB 0.082 63.239 63.200 -0.071 0.000 0.899 667 S HN 1.352 nan 8.310 nan 0.000 0.542 668 G N 0.913 109.699 108.800 -0.023 0.000 2.499 668 G HA2 -0.248 3.713 3.960 0.000 0.000 0.221 668 G HA3 -0.248 3.713 3.960 0.000 0.000 0.221 668 G C 0.804 175.693 174.900 -0.019 0.000 1.109 668 G CA 1.033 46.123 45.100 -0.016 0.000 0.749 668 G HN 0.966 nan 8.290 nan 0.000 0.568 669 D N -0.695 119.691 120.400 -0.022 0.000 2.339 669 D HA 0.048 4.688 4.640 0.000 0.000 0.217 669 D C 1.198 177.483 176.300 -0.026 0.000 1.050 669 D CA -0.073 53.915 54.000 -0.020 0.000 0.856 669 D CB -0.091 40.700 40.800 -0.016 0.000 0.922 669 D HN 0.250 nan 8.370 nan 0.000 0.518 670 K N -1.004 119.376 120.400 -0.033 0.000 3.407 670 K HA -0.297 4.023 4.320 0.000 0.000 0.312 670 K C 0.832 177.408 176.600 -0.039 0.000 1.302 670 K CA 1.248 57.513 56.287 -0.037 0.000 0.931 670 K CB -2.008 30.474 32.500 -0.031 0.000 1.257 670 K HN 0.483 nan 8.250 nan 0.000 0.454 671 Q N -1.516 118.259 119.800 -0.041 0.000 1.891 671 Q HA 0.167 4.507 4.340 0.000 0.000 0.206 671 Q C 1.145 177.118 176.000 -0.045 0.000 0.710 671 Q CA 0.324 56.105 55.803 -0.037 0.000 0.840 671 Q CB 0.626 29.350 28.738 -0.022 0.000 1.211 671 Q HN 0.201 nan 8.270 nan 0.000 0.424 672 S N 0.343 116.011 115.700 -0.052 0.000 2.362 672 S HA 0.062 4.532 4.470 0.000 0.000 0.221 672 S C 0.136 174.661 174.600 -0.124 0.000 1.032 672 S CA 0.650 58.818 58.200 -0.054 0.000 0.973 672 S CB 0.224 63.402 63.200 -0.037 0.000 0.849 672 S HN 0.282 nan 8.310 nan 0.000 0.465 673 L N 1.306 122.417 121.223 -0.187 0.000 2.439 673 L HA 0.547 4.887 4.340 0.000 0.000 0.270 673 L C -1.923 174.792 176.870 -0.259 0.000 0.972 673 L CA -0.343 54.285 54.840 -0.353 0.000 0.836 673 L CB 1.408 43.183 42.059 -0.473 0.000 1.255 673 L HN 0.053 nan 8.230 nan 0.000 0.404 674 L N 5.502 126.564 121.223 -0.268 0.000 2.372 674 L HA 0.575 4.915 4.340 0.000 0.000 0.274 674 L C -0.385 176.338 176.870 -0.245 0.000 0.988 674 L CA -0.466 54.257 54.840 -0.196 0.000 0.833 674 L CB 1.864 43.838 42.059 -0.142 0.000 1.236 674 L HN 0.690 nan 8.230 nan 0.000 0.410 675 M N 3.482 122.921 119.600 -0.268 0.000 2.209 675 M HA 0.388 4.868 4.480 0.000 0.000 0.355 675 M C -0.881 175.174 176.300 -0.409 0.000 1.171 675 M CA -0.057 54.937 55.300 -0.511 0.000 1.069 675 M CB 1.190 33.513 32.600 -0.461 0.000 1.622 675 M HN 0.578 nan 8.290 nan 0.000 0.459 676 Q N 1.614 121.126 119.800 -0.479 0.000 2.605 676 Q HA 0.518 4.858 4.340 0.000 0.000 0.296 676 Q C -1.094 174.739 176.000 -0.278 0.000 1.056 676 Q CA -0.477 55.165 55.803 -0.267 0.000 0.778 676 Q CB 2.533 31.192 28.738 -0.133 0.000 1.497 676 Q HN 0.860 nan 8.270 nan 0.000 0.443 677 S N -0.470 115.186 115.700 -0.074 0.000 2.541 677 S HA 0.774 5.245 4.470 0.000 0.000 0.283 677 S C 0.121 174.733 174.600 0.019 0.000 1.196 677 S CA -0.492 57.702 58.200 -0.010 0.000 1.062 677 S CB 1.047 64.308 63.200 0.103 0.000 1.009 677 S HN 0.466 nan 8.310 nan 0.000 0.502 678 V N -0.285 119.648 119.914 0.032 0.000 3.126 678 V HA 0.715 4.835 4.120 0.000 0.000 0.314 678 V C -1.256 174.868 176.094 0.050 0.000 1.138 678 V CA -1.228 61.106 62.300 0.057 0.000 1.034 678 V CB 1.936 33.855 31.823 0.160 0.000 1.075 678 V HN 0.893 nan 8.190 nan 0.000 0.442 679 N N 1.732 120.447 118.700 0.027 0.000 2.483 679 N HA 0.441 5.181 4.740 0.000 0.000 0.267 679 N C 0.081 175.579 175.510 -0.020 0.000 0.998 679 N CA -0.401 52.628 53.050 -0.035 0.000 0.918 679 N CB 2.028 40.452 38.487 -0.106 0.000 1.215 679 N HN 0.814 nan 8.380 nan 0.000 0.500 680 L N 2.573 123.724 121.223 -0.120 0.000 2.189 680 L HA 0.172 4.512 4.340 0.000 0.000 0.199 680 L C 1.504 178.224 176.870 -0.249 0.000 1.074 680 L CA 1.757 56.403 54.840 -0.322 0.000 0.783 680 L CB -0.256 41.378 42.059 -0.709 0.000 0.955 680 L HN 0.607 nan 8.230 nan 0.000 0.460 681 S N -3.254 112.335 115.700 -0.185 0.000 3.552 681 S HA 0.215 4.685 4.470 0.000 0.000 0.251 681 S C 0.385 174.857 174.600 -0.212 0.000 1.119 681 S CA -0.416 57.664 58.200 -0.200 0.000 0.830 681 S CB -0.376 62.683 63.200 -0.234 0.000 0.946 681 S HN 0.177 nan 8.310 nan 0.000 0.470 682 Y N 3.253 123.462 120.300 -0.151 0.000 2.314 682 Y HA 0.511 5.062 4.550 0.000 0.000 0.334 682 Y C 0.775 176.563 175.900 -0.187 0.000 1.266 682 Y CA -0.292 57.718 58.100 -0.150 0.000 1.391 682 Y CB 0.445 38.816 38.460 -0.149 0.000 1.306 682 Y HN 0.230 nan 8.280 nan 0.000 0.558 683 Q N 3.087 122.825 119.800 -0.104 0.000 2.255 683 Q HA -0.042 4.298 4.340 0.000 0.000 0.280 683 Q C 0.289 176.199 176.000 -0.150 0.000 1.068 683 Q CA 0.227 55.864 55.803 -0.276 0.000 0.911 683 Q CB 0.028 28.363 28.738 -0.672 0.000 1.157 683 Q HN 0.813 nan 8.270 nan 0.000 0.380 684 E N 1.225 121.360 120.200 -0.108 0.000 2.297 684 E HA -0.257 4.093 4.350 0.000 0.000 0.228 684 E C -0.791 175.832 176.600 0.039 0.000 1.213 684 E CA 0.935 57.328 56.400 -0.011 0.000 0.712 684 E CB -1.213 28.504 29.700 0.029 0.000 1.202 684 E HN 0.667 nan 8.360 nan 0.000 0.376 685 D N -0.004 120.410 120.400 0.024 0.000 2.333 685 D HA 0.130 4.770 4.640 0.000 0.000 0.208 685 D C 0.987 177.382 176.300 0.158 0.000 0.984 685 D CA 0.989 54.989 54.000 0.001 0.000 0.873 685 D CB 0.104 40.881 40.800 -0.039 0.000 0.935 685 D HN 0.416 nan 8.370 nan 0.000 0.521 686 G N -0.710 108.222 108.800 0.220 0.000 2.644 686 G HA2 0.626 4.587 3.960 0.000 0.000 0.307 686 G HA3 0.626 4.587 3.960 0.000 0.000 0.307 686 G C -0.713 174.343 174.900 0.260 0.000 1.250 686 G CA -0.921 44.404 45.100 0.375 0.000 0.996 686 G HN -0.132 nan 8.290 nan 0.000 0.489 687 R N -0.490 120.083 120.500 0.121 0.000 2.534 687 R HA 0.528 4.868 4.340 0.000 0.000 0.301 687 R C -0.037 176.005 176.300 -0.431 0.000 0.961 687 R CA -0.654 55.248 56.100 -0.330 0.000 0.871 687 R CB 1.737 31.559 30.300 -0.796 0.000 1.170 687 R HN 0.671 nan 8.270 nan 0.000 0.446 688 G N 2.103 110.575 108.800 -0.546 0.000 2.367 688 G HA2 0.635 4.595 3.960 0.000 0.000 0.314 688 G HA3 0.635 4.595 3.960 0.000 0.000 0.314 688 G C -1.058 173.388 174.900 -0.758 0.000 1.130 688 G CA -0.206 44.652 45.100 -0.402 0.000 0.864 688 G HN 0.307 nan 8.290 nan 0.000 0.486 689 F N 0.686 120.562 119.950 -0.123 0.000 2.561 689 F HA 0.427 4.954 4.527 0.000 0.000 0.313 689 F C -0.068 175.668 175.800 -0.107 0.000 1.126 689 F CA -1.057 56.803 58.000 -0.232 0.000 0.918 689 F CB 2.624 41.456 39.000 -0.278 0.000 1.199 689 F HN 0.219 nan 8.300 nan 0.000 0.444 690 N N 2.673 121.325 118.700 -0.080 0.000 2.448 690 N HA 0.177 4.917 4.740 0.000 0.000 0.279 690 N C -1.434 174.017 175.510 -0.098 0.000 1.025 690 N CA -0.402 52.659 53.050 0.019 0.000 0.898 690 N CB 1.905 40.379 38.487 -0.021 0.000 1.303 690 N HN 0.542 nan 8.380 nan 0.000 0.495 691 W N 1.513 122.791 121.300 -0.037 0.000 2.351 691 W HA 0.286 4.946 4.660 0.000 0.000 0.311 691 W C 1.068 177.558 176.519 -0.047 0.000 1.168 691 W CA -0.396 56.920 57.345 -0.049 0.000 1.200 691 W CB 1.757 31.166 29.460 -0.086 0.000 1.221 691 W HN 0.493 nan 8.180 nan 0.000 0.519 692 R N 1.511 122.081 120.500 0.117 0.000 2.513 692 R HA 0.330 4.670 4.340 0.000 0.000 0.245 692 R C 0.139 176.474 176.300 0.059 0.000 0.908 692 R CA 0.196 56.336 56.100 0.067 0.000 1.023 692 R CB 1.139 31.452 30.300 0.022 0.000 1.338 692 R HN 0.366 nan 8.270 nan 0.000 0.575 693 A N 0.161 123.026 122.820 0.074 0.000 2.583 693 A HA 0.413 4.733 4.320 0.000 0.000 0.289 693 A C -1.452 176.198 177.584 0.111 0.000 1.151 693 A CA -0.674 51.402 52.037 0.065 0.000 0.695 693 A CB 1.036 20.056 19.000 0.033 0.000 1.290 693 A HN 0.038 nan 8.150 nan 0.000 0.419 694 Q N 0.233 120.082 119.800 0.082 0.000 2.262 694 Q HA 0.424 4.764 4.340 0.000 0.000 0.298 694 Q C -0.286 175.788 176.000 0.122 0.000 1.083 694 Q CA 1.400 57.262 55.803 0.098 0.000 0.962 694 Q CB -0.054 28.715 28.738 0.052 0.000 1.104 694 Q HN 1.735 nan 8.270 nan 0.000 0.376 695 A N 3.077 126.026 122.820 0.215 0.000 2.610 695 A HA 0.866 5.187 4.320 0.000 0.000 0.291 695 A C -1.724 176.036 177.584 0.294 0.000 1.086 695 A CA -0.321 51.819 52.037 0.172 0.000 0.677 695 A CB 1.241 20.257 19.000 0.026 0.000 1.278 695 A HN 1.034 nan 8.150 nan 0.000 0.414 696 A N 0.726 123.656 122.820 0.183 0.000 2.410 696 A HA 0.608 4.928 4.320 0.000 0.000 0.289 696 A C -0.915 176.753 177.584 0.140 0.000 1.200 696 A CA -0.368 51.789 52.037 0.199 0.000 0.751 696 A CB 0.444 19.515 19.000 0.118 0.000 1.161 696 A HN 1.869 nan 8.150 nan 0.000 0.459 697 L N 2.430 123.775 121.223 0.203 0.000 2.331 697 L HA 0.701 5.041 4.340 0.000 0.000 0.278 697 L C -0.126 176.802 176.870 0.098 0.000 1.106 697 L CA 0.773 55.646 54.840 0.054 0.000 0.824 697 L CB 1.298 43.291 42.059 -0.109 0.000 1.142 697 L HN 0.472 nan 8.230 nan 0.000 0.443 698 S N 4.960 120.727 115.700 0.112 0.000 2.538 698 S HA 0.562 5.032 4.470 0.000 0.000 0.288 698 S C -1.153 173.545 174.600 0.164 0.000 1.108 698 S CA -0.508 57.767 58.200 0.125 0.000 0.971 698 S CB 1.610 64.863 63.200 0.088 0.000 1.041 698 S HN 0.639 nan 8.310 nan 0.000 0.483 699 L N 3.618 124.874 121.223 0.054 0.000 2.259 699 L HA 0.585 4.925 4.340 0.000 0.000 0.288 699 L C -0.477 176.270 176.870 -0.204 0.000 1.051 699 L CA 0.501 55.202 54.840 -0.232 0.000 0.824 699 L CB 0.230 42.078 42.059 -0.352 0.000 1.206 699 L HN 0.563 nan 8.230 nan 0.000 0.429 700 S N 3.290 118.869 115.700 -0.202 0.000 2.568 700 S HA 0.561 5.032 4.470 0.000 0.000 0.302 700 S C -1.000 173.499 174.600 -0.170 0.000 1.082 700 S CA -0.380 57.763 58.200 -0.095 0.000 1.009 700 S CB 1.048 64.253 63.200 0.008 0.000 1.069 700 S HN 0.380 nan 8.310 nan 0.000 0.500 701 Y N 1.503 121.785 120.300 -0.031 0.000 2.304 701 Y HA 0.270 4.821 4.550 0.000 0.000 0.328 701 Y C 1.297 177.190 175.900 -0.010 0.000 1.123 701 Y CA -0.340 57.749 58.100 -0.019 0.000 1.218 701 Y CB 0.369 38.828 38.460 -0.002 0.000 1.207 701 Y HN 0.551 nan 8.280 nan 0.000 0.495 702 L N 1.433 122.731 121.223 0.125 0.000 1.961 702 L HA -0.116 4.225 4.340 0.000 0.000 0.209 702 L C 0.615 177.538 176.870 0.088 0.000 1.075 702 L CA 1.104 55.991 54.840 0.078 0.000 0.749 702 L CB -0.281 41.806 42.059 0.047 0.000 0.890 702 L HN 0.636 nan 8.230 nan 0.000 0.433 703 E N 1.938 122.193 120.200 0.090 0.000 2.070 703 E HA 0.189 4.539 4.350 0.000 0.000 0.282 703 E C -2.370 174.273 176.600 0.071 0.000 1.104 703 E CA -2.212 54.229 56.400 0.067 0.000 0.876 703 E CB -0.175 29.554 29.700 0.049 0.000 1.055 703 E HN 0.135 nan 8.360 nan 0.000 0.401 704 P HA -0.065 nan 4.420 nan 0.000 0.261 704 P C -0.596 176.631 177.300 -0.122 0.000 1.183 704 P CA 0.092 63.173 63.100 -0.030 0.000 0.761 704 P CB 0.635 32.326 31.700 -0.016 0.000 0.785 705 T N 5.641 120.009 114.554 -0.309 0.000 2.795 705 T HA 0.364 4.714 4.350 0.000 0.000 0.282 705 T C -2.294 172.251 174.700 -0.258 0.000 0.980 705 T CA -1.908 60.028 62.100 -0.272 0.000 1.012 705 T CB 0.543 69.215 68.868 -0.326 0.000 0.936 705 T HN 0.303 nan 8.240 nan 0.000 0.457 706 P HA -0.030 nan 4.420 nan 0.000 0.262 706 P C 0.203 177.433 177.300 -0.117 0.000 1.182 706 P CA -0.531 62.504 63.100 -0.109 0.000 0.761 706 P CB 0.471 32.131 31.700 -0.067 0.000 0.795 707 L N 3.408 124.574 121.223 -0.095 0.000 2.601 707 L HA -0.009 4.331 4.340 0.000 0.000 0.277 707 L C 0.477 177.342 176.870 -0.008 0.000 1.219 707 L CA 0.692 55.501 54.840 -0.052 0.000 0.915 707 L CB -0.317 41.736 42.059 -0.011 0.000 1.160 707 L HN 0.415 nan 8.230 nan 0.000 0.494 708 D N 2.962 123.381 120.400 0.032 0.000 2.424 708 D HA -0.060 4.580 4.640 0.000 0.000 0.244 708 D C 1.265 177.575 176.300 0.016 0.000 1.134 708 D CA 0.547 54.562 54.000 0.026 0.000 0.881 708 D CB 1.314 42.146 40.800 0.054 0.000 1.191 708 D HN 0.618 nan 8.370 nan 0.000 0.445 709 S N 3.397 119.065 115.700 -0.053 0.000 2.515 709 S HA -0.140 4.330 4.470 0.000 0.000 0.231 709 S C 1.631 176.142 174.600 -0.148 0.000 0.987 709 S CA 0.633 58.792 58.200 -0.070 0.000 0.936 709 S CB -0.187 62.974 63.200 -0.065 0.000 0.766 709 S HN 0.576 nan 8.310 nan 0.000 0.528 710 K N -0.021 120.205 120.400 -0.291 0.000 2.280 710 K HA -0.021 4.300 4.320 0.000 0.000 0.202 710 K C -0.249 175.934 176.600 -0.696 0.000 1.047 710 K CA 1.053 57.002 56.287 -0.563 0.000 0.942 710 K CB -0.138 31.845 32.500 -0.862 0.000 0.739 710 K HN 0.556 nan 8.250 nan 0.000 0.457 711 F N -0.747 119.191 119.950 -0.021 0.000 2.805 711 F HA 0.223 4.750 4.527 0.000 0.000 0.317 711 F C 1.522 177.313 175.800 -0.016 0.000 1.146 711 F CA -0.461 57.539 58.000 -0.001 0.000 1.265 711 F CB 0.277 39.283 39.000 0.009 0.000 0.992 711 F HN -0.108 nan 8.300 nan 0.000 0.511 712 S N 0.789 116.521 115.700 0.054 0.000 2.353 712 S HA -0.195 4.275 4.470 0.000 0.000 0.222 712 S C 2.097 176.704 174.600 0.010 0.000 1.035 712 S CA 2.520 60.732 58.200 0.020 0.000 1.025 712 S CB -0.298 62.877 63.200 -0.042 0.000 0.902 712 S HN 0.480 nan 8.310 nan 0.000 0.440 713 T N -1.171 113.362 114.554 -0.034 0.000 3.186 713 T HA 0.528 4.878 4.350 0.000 0.000 0.257 713 T C 0.821 175.500 174.700 -0.035 0.000 1.029 713 T CA 0.128 62.188 62.100 -0.066 0.000 0.916 713 T CB 0.330 69.116 68.868 -0.135 0.000 1.041 713 T HN 0.352 nan 8.240 nan 0.000 0.562 714 G N 0.422 109.263 108.800 0.068 0.000 2.504 714 G HA2 0.564 4.524 3.960 0.000 0.000 0.257 714 G HA3 0.564 4.524 3.960 0.000 0.000 0.257 714 G C -1.189 173.686 174.900 -0.041 0.000 1.451 714 G CA -0.885 44.347 45.100 0.220 0.000 1.059 714 G HN 0.471 nan 8.290 nan 0.000 0.550 715 Y N -2.004 118.365 120.300 0.115 0.000 2.492 715 Y HA 0.444 4.995 4.550 0.000 0.000 0.346 715 Y C -0.391 175.496 175.900 -0.022 0.000 0.997 715 Y CA -0.812 57.313 58.100 0.040 0.000 1.025 715 Y CB 2.463 40.945 38.460 0.038 0.000 1.263 715 Y HN 0.428 nan 8.280 nan 0.000 0.454 716 L N 3.199 124.484 121.223 0.103 0.000 2.265 716 L HA 0.437 4.777 4.340 0.000 0.000 0.288 716 L C -0.589 176.330 176.870 0.081 0.000 1.058 716 L CA 0.161 55.030 54.840 0.049 0.000 0.809 716 L CB 0.538 42.609 42.059 0.020 0.000 1.179 716 L HN 0.607 nan 8.230 nan 0.000 0.429 717 E N 5.676 125.914 120.200 0.063 0.000 2.195 717 E HA 0.697 5.048 4.350 0.000 0.000 0.271 717 E C -1.376 175.267 176.600 0.071 0.000 0.923 717 E CA -0.737 55.700 56.400 0.061 0.000 0.790 717 E CB 2.218 31.944 29.700 0.044 0.000 1.155 717 E HN 0.635 nan 8.360 nan 0.000 0.402 718 L N -1.019 120.258 121.223 0.091 0.000 2.622 718 L HA 0.606 4.947 4.340 0.000 0.000 0.258 718 L C -1.276 175.702 176.870 0.179 0.000 0.996 718 L CA -1.201 53.726 54.840 0.146 0.000 0.858 718 L CB 1.707 43.870 42.059 0.174 0.000 1.449 718 L HN 0.206 nan 8.230 nan 0.000 0.411 719 K N 2.027 122.576 120.400 0.248 0.000 2.130 719 K HA 0.745 5.065 4.320 0.000 0.000 0.268 719 K C -1.027 175.900 176.600 0.546 0.000 0.983 719 K CA -0.561 55.946 56.287 0.367 0.000 0.893 719 K CB 2.042 34.712 32.500 0.284 0.000 1.066 719 K HN 0.778 nan 8.250 nan 0.000 0.450 720 M N 1.957 121.879 119.600 0.537 0.000 2.470 720 M HA 0.375 4.855 4.480 0.000 0.000 0.285 720 M C -1.849 174.491 176.300 0.067 0.000 1.213 720 M CA -0.708 54.797 55.300 0.342 0.000 0.901 720 M CB 2.462 35.229 32.600 0.280 0.000 1.718 720 M HN 0.633 nan 8.290 nan 0.000 0.469 721 R N 4.448 124.757 120.500 -0.319 0.000 2.514 721 R HA 0.596 4.936 4.340 0.000 0.000 0.296 721 R C -2.039 174.125 176.300 -0.226 0.000 1.012 721 R CA -0.462 55.352 56.100 -0.476 0.000 0.897 721 R CB 1.433 30.959 30.300 -1.291 0.000 1.184 721 R HN 0.817 nan 8.270 nan 0.000 0.440 722 I N 5.088 125.605 120.570 -0.088 0.000 2.307 722 I HA 0.144 4.314 4.170 0.000 0.000 0.289 722 I C 0.211 176.270 176.117 -0.097 0.000 1.021 722 I CA -0.567 60.704 61.300 -0.049 0.000 1.224 722 I CB 1.614 39.618 38.000 0.007 0.000 1.376 722 I HN 0.649 nan 8.210 nan 0.000 0.470 723 D N 4.514 124.850 120.400 -0.107 0.000 2.201 723 D HA -0.031 4.610 4.640 0.000 0.000 0.209 723 D C 0.787 177.020 176.300 -0.111 0.000 0.961 723 D CA 1.103 55.030 54.000 -0.122 0.000 0.861 723 D CB 0.431 41.159 40.800 -0.120 0.000 0.997 723 D HN 0.389 nan 8.370 nan 0.000 0.486 724 K N 0.991 121.336 120.400 -0.092 0.000 2.559 724 K HA 0.514 4.834 4.320 0.000 0.000 0.249 724 K C -1.036 175.500 176.600 -0.107 0.000 0.958 724 K CA -0.485 55.746 56.287 -0.093 0.000 0.901 724 K CB 1.686 34.140 32.500 -0.076 0.000 1.124 724 K HN -0.103 nan 8.250 nan 0.000 0.437 725 A N 4.975 127.729 122.820 -0.110 0.000 2.498 725 A HA 0.237 4.557 4.320 0.000 0.000 0.239 725 A C -2.132 175.360 177.584 -0.153 0.000 1.068 725 A CA -0.947 51.013 52.037 -0.129 0.000 0.766 725 A CB -0.349 18.585 19.000 -0.110 0.000 1.003 725 A HN 0.573 nan 8.150 nan 0.000 0.497 726 P HA 0.087 nan 4.420 nan 0.000 0.269 726 P C 0.372 177.579 177.300 -0.156 0.000 1.263 726 P CA 0.026 62.986 63.100 -0.232 0.000 0.813 726 P CB 0.777 32.269 31.700 -0.346 0.000 0.868 727 E N 2.925 123.051 120.200 -0.122 0.000 2.031 727 E HA -0.161 4.189 4.350 0.000 0.000 0.193 727 E C 0.666 177.217 176.600 -0.083 0.000 0.994 727 E CA 1.435 57.782 56.400 -0.089 0.000 0.800 727 E CB 0.025 29.684 29.700 -0.069 0.000 0.752 727 E HN 0.651 nan 8.360 nan 0.000 0.447 728 Q N 0.602 120.349 119.800 -0.088 0.000 2.526 728 Q HA 0.361 4.701 4.340 0.000 0.000 0.353 728 Q C 0.148 176.089 176.000 -0.098 0.000 0.977 728 Q CA 0.006 55.762 55.803 -0.077 0.000 1.027 728 Q CB 0.752 29.455 28.738 -0.059 0.000 1.272 728 Q HN 0.239 nan 8.270 nan 0.000 0.420 729 G N 0.819 109.550 108.800 -0.116 0.000 2.856 729 G HA2 -0.021 3.939 3.960 0.000 0.000 0.674 729 G HA3 -0.021 3.939 3.960 0.000 0.000 0.674 729 G C -0.823 173.957 174.900 -0.199 0.000 1.519 729 G CA -0.471 44.554 45.100 -0.124 0.000 0.940 729 G HN 0.620 nan 8.290 nan 0.000 0.564 730 A N 0.337 123.045 122.820 -0.186 0.000 2.589 730 A HA 0.785 5.105 4.320 0.000 0.000 0.296 730 A C -0.594 176.991 177.584 0.003 0.000 1.062 730 A CA -0.110 51.738 52.037 -0.314 0.000 0.686 730 A CB 1.978 20.456 19.000 -0.869 0.000 1.282 730 A HN 1.513 nan 8.150 nan 0.000 0.404 731 N N 0.465 119.164 118.700 -0.002 0.000 2.479 731 N HA 0.543 5.283 4.740 0.000 0.000 0.261 731 N C -1.337 174.328 175.510 0.259 0.000 0.979 731 N CA -0.276 52.861 53.050 0.146 0.000 0.930 731 N CB 1.288 39.803 38.487 0.047 0.000 1.172 731 N HN 0.631 nan 8.380 nan 0.000 0.499 732 L N 2.688 124.109 121.223 0.329 0.000 2.257 732 L HA 0.463 4.803 4.340 0.000 0.000 0.290 732 L C -0.566 176.366 176.870 0.102 0.000 1.044 732 L CA 0.007 54.986 54.840 0.232 0.000 0.810 732 L CB 0.675 42.776 42.059 0.069 0.000 1.193 732 L HN 0.535 nan 8.230 nan 0.000 0.425 733 Q N 3.204 123.059 119.800 0.092 0.000 2.301 733 Q HA 0.766 5.107 4.340 0.000 0.000 0.267 733 Q C -1.494 174.535 176.000 0.049 0.000 1.035 733 Q CA -0.911 54.926 55.803 0.057 0.000 0.856 733 Q CB 2.856 31.629 28.738 0.058 0.000 1.337 733 Q HN 0.518 nan 8.270 nan 0.000 0.450 734 V N 3.107 123.039 119.914 0.030 0.000 2.623 734 V HA 0.325 4.446 4.120 0.000 0.000 0.304 734 V C -0.757 175.355 176.094 0.031 0.000 1.054 734 V CA -0.892 61.425 62.300 0.029 0.000 0.882 734 V CB 1.832 33.658 31.823 0.005 0.000 1.002 734 V HN 0.821 nan 8.190 nan 0.000 0.424 735 M N 3.172 122.803 119.600 0.053 0.000 3.844 735 M HA -0.152 4.328 4.480 0.000 0.000 0.160 735 M C -0.434 175.890 176.300 0.041 0.000 1.495 735 M CA 0.561 55.896 55.300 0.058 0.000 1.034 735 M CB -2.077 30.547 32.600 0.039 0.000 1.329 735 M HN 0.787 nan 8.290 nan 0.000 0.375 736 c N 0.815 119.447 118.600 0.053 0.000 2.562 736 c HA 0.963 5.534 4.570 0.000 0.000 0.332 736 c C 1.012 175.124 174.090 0.037 0.000 1.201 736 c CA 0.048 56.401 56.329 0.038 0.000 1.803 736 c CB 1.228 43.764 42.510 0.043 0.000 2.328 736 c HN 1.607 nan 8.230 nan 0.000 0.500 737 S N 1.116 116.828 115.700 0.020 0.000 2.742 737 S HA 0.300 4.771 4.470 0.000 0.000 0.854 737 S C -0.199 174.414 174.600 0.022 0.000 0.769 737 S CA 0.637 58.846 58.200 0.016 0.000 1.572 737 S CB -1.169 nan 63.200 nan 0.000 1.127 737 S HN 1.737 nan 8.310 nan 0.000 0.384 738 E N 0.397 120.607 120.200 0.017 0.000 2.414 738 E HA 0.269 4.619 4.350 0.000 0.000 0.173 738 E C 1.200 177.803 176.600 0.005 0.000 1.551 738 E CA 2.988 59.393 56.400 0.009 0.000 0.661 738 E CB -1.588 28.114 29.700 0.003 0.000 1.108 738 E HN 2.697 nan 8.360 nan 0.000 0.365 739 S N -1.775 113.929 115.700 0.006 0.000 4.118 739 S HA -0.323 4.147 4.470 0.000 0.000 0.624 739 S C 0.994 175.597 174.600 0.005 0.000 1.929 739 S CA 1.899 60.101 58.200 0.004 0.000 4.219 739 S CB -2.018 nan 63.200 nan 0.000 0.206 739 S HN 1.981 nan 8.310 nan 0.000 0.525 740 N N -0.300 118.401 118.700 0.001 0.000 2.340 740 N HA 0.459 5.199 4.740 0.000 0.000 0.236 740 N C 0.232 175.744 175.510 0.004 0.000 1.296 740 N CA 0.746 53.796 53.050 -0.000 0.000 0.896 740 N CB 0.007 38.490 38.487 -0.007 0.000 1.127 740 N HN 1.456 nan 8.380 nan 0.000 0.442 741 c N 0.013 118.616 118.600 0.004 0.000 2.399 741 c HA 0.485 5.055 4.570 0.000 0.000 0.348 741 c C 2.215 176.303 174.090 -0.005 0.000 1.183 741 c CA -0.573 55.760 56.329 0.007 0.000 2.023 741 c CB 0.565 43.084 42.510 0.016 0.000 2.361 741 c HN 0.839 nan 8.230 nan 0.000 0.521 742 L N 0.692 121.912 121.223 -0.005 0.000 2.109 742 L HA 0.027 4.367 4.340 0.000 0.000 0.207 742 L C 1.125 177.977 176.870 -0.030 0.000 1.086 742 L CA 1.415 56.243 54.840 -0.020 0.000 0.760 742 L CB -0.323 41.727 42.059 -0.015 0.000 0.910 742 L HN 0.610 nan 8.230 nan 0.000 0.437 743 R N -0.276 120.213 120.500 -0.020 0.000 2.807 743 R HA 0.452 4.792 4.340 0.000 0.000 0.276 743 R C -1.334 174.961 176.300 -0.009 0.000 0.979 743 R CA -0.642 55.443 56.100 -0.026 0.000 0.928 743 R CB 1.713 31.990 30.300 -0.038 0.000 1.191 743 R HN -0.192 nan 8.270 nan 0.000 0.471 744 D N 1.833 122.228 120.400 -0.009 0.000 2.365 744 D HA 0.381 5.022 4.640 0.000 0.000 0.235 744 D C -1.097 175.211 176.300 0.014 0.000 1.368 744 D CA -0.242 53.763 54.000 0.010 0.000 1.001 744 D CB 0.776 41.582 40.800 0.009 0.000 1.364 744 D HN 0.385 nan 8.370 nan 0.000 0.577 745 I N 2.184 122.772 120.570 0.030 0.000 2.498 745 I HA 0.264 4.434 4.170 0.000 0.000 0.290 745 I C -0.251 175.931 176.117 0.108 0.000 1.032 745 I CA -0.835 60.493 61.300 0.047 0.000 1.073 745 I CB 2.079 40.076 38.000 -0.004 0.000 1.251 745 I HN 0.071 nan 8.210 nan 0.000 0.426 746 D N 5.352 125.818 120.400 0.109 0.000 2.308 746 D HA 0.137 4.777 4.640 0.000 0.000 0.251 746 D C 0.836 177.208 176.300 0.120 0.000 1.127 746 D CA -0.091 53.982 54.000 0.122 0.000 0.876 746 D CB 1.222 42.057 40.800 0.059 0.000 1.176 746 D HN 0.311 nan 8.370 nan 0.000 0.446 747 F N 1.524 121.408 119.950 -0.110 0.000 2.154 747 F HA -0.260 4.267 4.527 0.000 0.000 0.301 747 F C 2.750 178.225 175.800 -0.541 0.000 1.087 747 F CA 1.365 59.101 58.000 -0.441 0.000 1.274 747 F CB -0.609 38.151 39.000 -0.400 0.000 1.009 747 F HN 0.351 nan 8.300 nan 0.000 0.485 748 S N -0.657 114.977 115.700 -0.110 0.000 2.402 748 S HA -0.239 4.231 4.470 0.000 0.000 0.233 748 S C 2.014 176.541 174.600 -0.121 0.000 1.030 748 S CA 1.335 59.459 58.200 -0.126 0.000 1.003 748 S CB -1.179 61.983 63.200 -0.063 0.000 0.813 748 S HN 0.432 nan 8.310 nan 0.000 0.477 749 S N 0.896 116.566 115.700 -0.051 0.000 2.607 749 S HA 0.157 4.627 4.470 0.000 0.000 0.224 749 S C 0.838 175.516 174.600 0.130 0.000 0.969 749 S CA -0.003 58.221 58.200 0.040 0.000 0.927 749 S CB -0.892 62.353 63.200 0.076 0.000 0.772 749 S HN 0.902 nan 8.310 nan 0.000 0.533 750 F N -0.041 119.858 119.950 -0.084 0.000 2.859 750 F HA 0.500 5.027 4.527 0.000 0.000 0.324 750 F C 1.366 177.109 175.800 -0.095 0.000 1.158 750 F CA -0.250 57.690 58.000 -0.101 0.000 1.147 750 F CB -0.375 38.542 39.000 -0.138 0.000 1.137 750 F HN 0.152 nan 8.300 nan 0.000 0.516 751 S N -0.213 115.290 115.700 -0.330 0.000 2.419 751 S HA -0.271 4.200 4.470 0.000 0.000 0.235 751 S C 1.823 176.339 174.600 -0.141 0.000 1.019 751 S CA 1.589 59.618 58.200 -0.285 0.000 0.982 751 S CB -0.378 62.693 63.200 -0.214 0.000 0.789 751 S HN 0.494 nan 8.310 nan 0.000 0.490 752 Q N 1.294 121.045 119.800 -0.082 0.000 2.436 752 Q HA 0.155 4.495 4.340 0.000 0.000 0.209 752 Q C 1.632 177.594 176.000 -0.062 0.000 0.965 752 Q CA 1.002 56.772 55.803 -0.056 0.000 0.910 752 Q CB -0.541 28.178 28.738 -0.032 0.000 0.980 752 Q HN 0.897 nan 8.270 nan 0.000 0.491 753 L N -4.316 116.860 121.223 -0.077 0.000 2.693 753 L HA 0.378 4.718 4.340 0.000 0.000 0.235 753 L C 1.003 177.633 176.870 -0.400 0.000 1.127 753 L CA -0.018 54.719 54.840 -0.170 0.000 0.914 753 L CB 0.230 42.212 42.059 -0.128 0.000 1.193 753 L HN -0.049 nan 8.230 nan 0.000 0.502 754 M N 0.246 119.714 119.600 -0.220 0.000 2.337 754 M HA 0.377 4.858 4.480 0.000 0.000 0.256 754 M C 1.983 178.247 176.300 -0.060 0.000 1.075 754 M CA 0.616 55.815 55.300 -0.167 0.000 1.024 754 M CB -0.089 32.488 32.600 -0.038 0.000 1.429 754 M HN 0.351 nan 8.290 nan 0.000 0.497 755 A N 1.612 124.391 122.820 -0.069 0.000 2.216 755 A HA -0.130 4.190 4.320 0.000 0.000 0.214 755 A C 1.531 179.111 177.584 -0.008 0.000 1.160 755 A CA 1.571 53.582 52.037 -0.043 0.000 0.725 755 A CB -0.762 18.208 19.000 -0.049 0.000 0.784 755 A HN 0.560 nan 8.150 nan 0.000 0.472 756 D N -0.796 119.628 120.400 0.040 0.000 2.363 756 D HA -0.107 4.533 4.640 0.000 0.000 0.220 756 D C 0.537 176.864 176.300 0.044 0.000 0.994 756 D CA 0.607 54.647 54.000 0.068 0.000 0.890 756 D CB -0.489 40.395 40.800 0.140 0.000 0.906 756 D HN 0.436 nan 8.370 nan 0.000 0.530 757 K N -0.551 119.864 120.400 0.026 0.000 3.230 757 K HA -0.152 4.168 4.320 0.000 0.000 0.285 757 K C -0.122 176.438 176.600 -0.066 0.000 1.196 757 K CA 0.807 57.071 56.287 -0.038 0.000 0.838 757 K CB -2.091 30.363 32.500 -0.075 0.000 1.262 757 K HN 0.531 nan 8.250 nan 0.000 0.492 758 S N -1.202 114.498 115.700 -0.000 0.000 2.801 758 S HA 0.629 5.099 4.470 0.000 0.000 0.312 758 S C -0.219 174.292 174.600 -0.148 0.000 1.112 758 S CA -1.137 57.005 58.200 -0.096 0.000 0.943 758 S CB 0.632 63.818 63.200 -0.023 0.000 1.269 758 S HN 0.293 nan 8.310 nan 0.000 0.558 759 W N 1.469 122.698 121.300 -0.118 0.000 2.238 759 W HA 0.440 5.101 4.660 0.000 0.000 0.321 759 W C 0.644 176.928 176.519 -0.391 0.000 1.293 759 W CA 0.206 57.487 57.345 -0.107 0.000 1.204 759 W CB 0.353 29.772 29.460 -0.069 0.000 1.167 759 W HN 0.504 nan 8.180 nan 0.000 0.553 760 H N 1.213 120.465 119.070 0.303 0.000 2.717 760 H HA 0.285 4.842 4.556 0.000 0.000 0.366 760 H C -0.653 174.794 175.328 0.199 0.000 1.132 760 H CA -0.805 55.362 56.048 0.198 0.000 1.180 760 H CB 1.868 31.710 29.762 0.134 0.000 1.678 760 H HN 0.110 nan 8.280 nan 0.000 0.537 761 T N 4.025 118.712 114.554 0.222 0.000 2.771 761 T HA 0.359 4.709 4.350 0.000 0.000 0.291 761 T C 0.527 175.292 174.700 0.109 0.000 0.954 761 T CA -0.525 61.665 62.100 0.149 0.000 1.045 761 T CB 0.315 69.234 68.868 0.085 0.000 0.917 761 T HN 0.201 nan 8.240 nan 0.000 0.484 762 L N 2.782 124.051 121.223 0.077 0.000 2.333 762 L HA 0.680 5.020 4.340 0.000 0.000 0.280 762 L C 0.061 176.936 176.870 0.008 0.000 1.004 762 L CA -1.104 53.738 54.840 0.003 0.000 0.820 762 L CB 1.524 43.542 42.059 -0.069 0.000 1.247 762 L HN 0.662 nan 8.230 nan 0.000 0.416 763 A N 5.672 128.498 122.820 0.010 0.000 2.256 763 A HA 0.706 5.026 4.320 0.000 0.000 0.317 763 A C -0.469 177.202 177.584 0.145 0.000 1.318 763 A CA -0.340 51.748 52.037 0.085 0.000 0.894 763 A CB 0.184 19.196 19.000 0.021 0.000 1.165 763 A HN 0.687 nan 8.150 nan 0.000 0.525 764 I N 5.252 125.908 120.570 0.143 0.000 2.337 764 I HA 0.262 4.432 4.170 0.000 0.000 0.285 764 I C -2.121 174.001 176.117 0.008 0.000 1.041 764 I CA -2.252 59.074 61.300 0.043 0.000 1.199 764 I CB 1.754 39.729 38.000 -0.041 0.000 1.370 764 I HN 0.432 nan 8.210 nan 0.000 0.470 765 P HA -0.001 nan 4.420 nan 0.000 0.262 765 P C 0.584 177.711 177.300 -0.289 0.000 1.182 765 P CA 0.236 62.999 63.100 -0.561 0.000 0.761 765 P CB 1.077 32.546 31.700 -0.384 0.000 0.795 766 L N 1.454 122.509 121.223 -0.280 0.000 2.307 766 L HA 0.024 4.364 4.340 0.000 0.000 0.211 766 L C 1.339 178.178 176.870 -0.051 0.000 1.099 766 L CA 0.623 55.398 54.840 -0.108 0.000 0.816 766 L CB -0.603 41.429 42.059 -0.044 0.000 0.952 766 L HN 0.489 nan 8.230 nan 0.000 0.455 767 H N 0.146 119.123 119.070 -0.154 0.000 2.761 767 H HA 0.326 4.882 4.556 0.000 0.000 0.284 767 H C -0.590 174.685 175.328 -0.087 0.000 1.105 767 H CA -0.803 55.186 56.048 -0.098 0.000 1.352 767 H CB 0.367 30.078 29.762 -0.085 0.000 1.423 767 H HN 0.099 nan 8.280 nan 0.000 0.464 777 P HA 0.162 nan 4.420 nan 0.000 0.267 777 P C -0.801 176.460 177.300 -0.066 0.000 1.205 777 P CA 0.300 63.363 63.100 -0.061 0.000 0.765 777 P CB 0.350 32.022 31.700 -0.047 0.000 0.828 778 I N 3.485 123.982 120.570 -0.122 0.000 2.301 778 I HA 0.046 4.216 4.170 0.000 0.000 0.292 778 I C 1.781 177.856 176.117 -0.070 0.000 1.046 778 I CA 0.080 61.317 61.300 -0.105 0.000 1.282 778 I CB 0.421 38.326 38.000 -0.157 0.000 1.409 778 I HN 0.455 nan 8.210 nan 0.000 0.484 779 T N 2.230 116.808 114.554 0.040 0.000 2.735 779 T HA -0.002 4.348 4.350 0.000 0.000 0.256 779 T C 0.499 175.342 174.700 0.239 0.000 1.042 779 T CA 0.505 62.676 62.100 0.118 0.000 1.147 779 T CB -0.071 68.844 68.868 0.078 0.000 0.865 779 T HN 0.361 nan 8.240 nan 0.000 0.421 780 D N 1.113 121.617 120.400 0.175 0.000 2.329 780 D HA 0.704 5.344 4.640 0.000 0.000 0.232 780 D C 0.878 177.285 176.300 0.179 0.000 1.088 780 D CA -0.138 53.953 54.000 0.152 0.000 0.835 780 D CB 1.538 42.394 40.800 0.093 0.000 1.078 780 D HN 0.334 nan 8.370 nan 0.000 0.495 781 A N 2.941 125.859 122.820 0.162 0.000 1.858 781 A HA 0.039 4.359 4.320 0.000 0.000 0.216 781 A C 0.692 178.318 177.584 0.069 0.000 1.190 781 A CA 1.285 53.400 52.037 0.129 0.000 0.617 781 A CB -0.455 18.522 19.000 -0.039 0.000 0.827 781 A HN 0.579 nan 8.150 nan 0.000 0.443 782 L N -4.841 116.410 121.223 0.048 0.000 2.393 782 L HA 0.822 5.162 4.340 0.000 0.000 0.260 782 L C -0.566 176.358 176.870 0.091 0.000 1.002 782 L CA -0.909 53.974 54.840 0.073 0.000 0.818 782 L CB 2.061 44.171 42.059 0.086 0.000 1.369 782 L HN 0.143 nan 8.230 nan 0.000 0.412 783 R N 2.240 122.801 120.500 0.100 0.000 2.514 783 R HA 0.772 5.112 4.340 0.000 0.000 0.296 783 R C -1.771 174.609 176.300 0.132 0.000 1.012 783 R CA -0.492 55.675 56.100 0.111 0.000 0.897 783 R CB 1.470 31.825 30.300 0.091 0.000 1.184 783 R HN 0.882 nan 8.270 nan 0.000 0.440 784 I N 3.586 124.250 120.570 0.156 0.000 2.378 784 I HA 0.344 4.514 4.170 0.000 0.000 0.291 784 I C -0.460 175.707 176.117 0.082 0.000 0.992 784 I CA -0.630 60.741 61.300 0.118 0.000 1.154 784 I CB 2.297 40.349 38.000 0.087 0.000 1.315 784 I HN 0.534 nan 8.210 nan 0.000 0.448 785 T N 3.265 117.779 114.554 -0.066 0.000 2.812 785 T HA 0.632 4.983 4.350 0.000 0.000 0.282 785 T C -0.419 174.092 174.700 -0.315 0.000 0.990 785 T CA -0.755 61.308 62.100 -0.062 0.000 0.960 785 T CB 1.865 70.737 68.868 0.006 0.000 0.948 785 T HN 0.568 nan 8.240 nan 0.000 0.438 786 S N 0.957 116.436 115.700 -0.369 0.000 2.636 786 S HA 0.379 4.849 4.470 0.000 0.000 0.268 786 S C -0.377 174.151 174.600 -0.119 0.000 1.159 786 S CA -0.578 57.351 58.200 -0.452 0.000 0.815 786 S CB 1.942 64.562 63.200 -0.966 0.000 1.130 786 S HN 0.729 nan 8.310 nan 0.000 0.471 787 Q N 0.535 120.278 119.800 -0.095 0.000 2.353 787 Q HA 0.343 4.684 4.340 0.000 0.000 0.240 787 Q C -0.362 175.669 176.000 0.053 0.000 0.868 787 Q CA 0.011 55.829 55.803 0.025 0.000 0.944 787 Q CB 0.557 29.290 28.738 -0.009 0.000 1.104 787 Q HN 0.548 nan 8.270 nan 0.000 0.531 788 N N 0.454 119.137 118.700 -0.029 0.000 2.599 788 N HA 0.316 5.057 4.740 0.000 0.000 0.283 788 N C -2.242 173.208 175.510 -0.100 0.000 1.160 788 N CA -0.049 52.994 53.050 -0.011 0.000 0.869 788 N CB 1.522 39.989 38.487 -0.035 0.000 1.448 788 N HN 0.011 nan 8.380 nan 0.000 0.535 789 L N 1.785 123.002 121.223 -0.010 0.000 2.672 789 L HA 0.517 4.858 4.340 0.000 0.000 0.256 789 L C -1.794 175.167 176.870 0.151 0.000 0.946 789 L CA -0.220 54.553 54.840 -0.113 0.000 0.889 789 L CB 2.047 43.762 42.059 -0.573 0.000 1.441 789 L HN 0.338 nan 8.230 nan 0.000 0.418 790 S N 3.689 119.425 115.700 0.059 0.000 2.736 790 S HA 0.903 5.374 4.470 0.000 0.000 0.285 790 S C -1.467 173.175 174.600 0.070 0.000 1.163 790 S CA -0.411 57.858 58.200 0.116 0.000 1.025 790 S CB 0.617 63.836 63.200 0.031 0.000 1.030 790 S HN 0.961 nan 8.310 nan 0.000 0.486 791 L N 2.190 123.513 121.223 0.167 0.000 2.600 791 L HA 1.111 5.452 4.340 0.000 0.000 0.257 791 L C -0.844 176.111 176.870 0.142 0.000 1.048 791 L CA -1.013 53.895 54.840 0.112 0.000 0.869 791 L CB 1.050 43.197 42.059 0.146 0.000 1.482 791 L HN 0.596 nan 8.230 nan 0.000 0.408 792 A N 0.842 123.676 122.820 0.022 0.000 2.413 792 A HA 0.975 5.295 4.320 0.000 0.000 0.307 792 A C -0.900 176.847 177.584 0.271 0.000 1.087 792 A CA -0.557 51.539 52.037 0.099 0.000 0.750 792 A CB 1.174 20.160 19.000 -0.024 0.000 1.296 792 A HN 0.751 nan 8.150 nan 0.000 0.423 793 I N 0.049 120.916 120.570 0.494 0.000 2.934 793 I HA 0.818 4.988 4.170 0.000 0.000 0.306 793 I C 0.132 176.623 176.117 0.623 0.000 1.110 793 I CA -0.662 60.991 61.300 0.589 0.000 1.019 793 I CB 2.423 40.715 38.000 0.485 0.000 1.227 793 I HN 0.938 nan 8.210 nan 0.000 0.434 794 A N 1.906 125.060 122.820 0.557 0.000 2.583 794 A HA 0.575 4.895 4.320 0.000 0.000 0.292 794 A C -1.486 176.287 177.584 0.315 0.000 1.045 794 A CA -0.560 51.741 52.037 0.438 0.000 0.672 794 A CB 1.080 20.109 19.000 0.047 0.000 1.283 794 A HN 0.760 nan 8.150 nan 0.000 0.419 795 D N -0.481 120.054 120.400 0.226 0.000 2.705 795 D HA -0.122 4.519 4.640 0.000 0.000 0.240 795 D C -0.163 176.215 176.300 0.129 0.000 1.137 795 D CA 1.408 55.462 54.000 0.090 0.000 0.677 795 D CB -1.637 39.172 40.800 0.015 0.000 1.049 795 D HN 0.770 nan 8.370 nan 0.000 0.427 796 V N -0.240 119.790 119.914 0.194 0.000 2.432 796 V HA 0.734 4.854 4.120 0.000 0.000 0.271 796 V C 0.827 176.942 176.094 0.036 0.000 1.046 796 V CA 0.205 62.587 62.300 0.136 0.000 0.945 796 V CB 1.410 33.336 31.823 0.171 0.000 0.992 796 V HN 0.494 nan 8.190 nan 0.000 0.471 797 A N 5.210 128.035 122.820 0.008 0.000 2.604 797 A HA 0.799 5.119 4.320 0.000 0.000 0.295 797 A C -1.128 176.421 177.584 -0.058 0.000 1.067 797 A CA -0.714 51.300 52.037 -0.039 0.000 0.683 797 A CB 1.240 20.221 19.000 -0.032 0.000 1.281 797 A HN 0.681 nan 8.150 nan 0.000 0.407 798 L N 0.867 122.000 121.223 -0.151 0.000 2.375 798 L HA 0.750 5.090 4.340 0.000 0.000 0.271 798 L C 0.542 177.301 176.870 -0.185 0.000 1.107 798 L CA -0.261 54.348 54.840 -0.384 0.000 0.806 798 L CB 1.617 42.997 42.059 -1.132 0.000 1.146 798 L HN 0.798 nan 8.230 nan 0.000 0.447 799 T N 0.911 115.488 114.554 0.038 0.000 2.932 799 T HA 0.379 4.729 4.350 0.000 0.000 0.318 799 T C 0.676 175.646 174.700 0.450 0.000 1.265 799 T CA -0.634 61.633 62.100 0.280 0.000 1.036 799 T CB 1.216 70.157 68.868 0.121 0.000 1.209 799 T HN 0.515 nan 8.240 nan 0.000 0.484 800 I N 0.786 121.588 120.570 0.385 0.000 2.286 800 I HA 0.379 4.549 4.170 0.000 0.000 0.245 800 I C 0.655 176.925 176.117 0.256 0.000 1.104 800 I CA 0.633 62.117 61.300 0.306 0.000 1.397 800 I CB -0.072 38.008 38.000 0.135 0.000 1.072 800 I HN 0.235 nan 8.210 nan 0.000 0.417 801 K N 2.147 122.587 120.400 0.068 0.000 2.324 801 K HA 0.483 4.803 4.320 0.000 0.000 0.253 801 K C -2.575 173.839 176.600 -0.310 0.000 0.932 801 K CA -2.126 54.083 56.287 -0.130 0.000 0.799 801 K CB 1.819 34.285 32.500 -0.056 0.000 1.154 801 K HN -0.053 nan 8.250 nan 0.000 0.425 802 P HA -0.034 nan 4.420 nan 0.000 0.271 802 P C -0.336 176.830 177.300 -0.223 0.000 1.216 802 P CA -0.255 62.543 63.100 -0.503 0.000 0.776 802 P CB 0.893 32.216 31.700 -0.629 0.000 0.881 803 S N 1.289 116.910 115.700 -0.131 0.000 2.584 803 S HA 0.041 4.511 4.470 0.000 0.000 0.270 803 S C 1.022 175.587 174.600 -0.058 0.000 1.346 803 S CA -0.257 57.901 58.200 -0.071 0.000 1.018 803 S CB 0.193 63.369 63.200 -0.040 0.000 0.899 803 S HN 0.373 nan 8.310 nan 0.000 0.542 804 D N 0.779 121.156 120.400 -0.039 0.000 2.239 804 D HA -0.115 4.525 4.640 0.000 0.000 0.202 804 D C 0.503 176.793 176.300 -0.017 0.000 0.993 804 D CA 1.435 55.418 54.000 -0.028 0.000 0.874 804 D CB -0.156 40.632 40.800 -0.019 0.000 0.922 804 D HN 0.649 nan 8.370 nan 0.000 0.464 805 D N -0.639 119.754 120.400 -0.011 0.000 2.398 805 D HA 0.017 4.657 4.640 0.000 0.000 0.210 805 D C 0.262 176.573 176.300 0.019 0.000 1.094 805 D CA 0.020 54.025 54.000 0.007 0.000 0.839 805 D CB 0.289 41.094 40.800 0.009 0.000 0.963 805 D HN 0.051 nan 8.370 nan 0.000 0.506 806 S N 0.153 115.853 115.700 -0.000 0.000 2.585 806 S HA 0.345 4.816 4.470 0.000 0.000 0.273 806 S C 0.286 174.891 174.600 0.009 0.000 1.339 806 S CA -0.478 57.725 58.200 0.004 0.000 1.028 806 S CB 1.164 64.344 63.200 -0.033 0.000 0.906 806 S HN 0.051 nan 8.310 nan 0.000 0.528 807 I N 2.387 122.968 120.570 0.019 0.000 2.389 807 I HA 0.261 4.431 4.170 0.000 0.000 0.288 807 I C 0.147 176.255 176.117 -0.015 0.000 0.999 807 I CA -0.579 60.726 61.300 0.008 0.000 1.129 807 I CB 1.932 39.943 38.000 0.019 0.000 1.288 807 I HN 0.818 nan 8.210 nan 0.000 0.444 808 S N 6.878 122.577 115.700 -0.001 0.000 2.513 808 S HA 0.478 4.948 4.470 0.000 0.000 0.276 808 S C -0.178 174.405 174.600 -0.028 0.000 1.254 808 S CA -0.799 57.415 58.200 0.023 0.000 1.053 808 S CB 1.017 64.277 63.200 0.100 0.000 0.958 808 S HN 0.527 nan 8.310 nan 0.000 0.491 809 L N 4.402 125.577 121.223 -0.079 0.000 2.399 809 L HA 0.179 4.519 4.340 0.000 0.000 0.257 809 L C 1.199 178.026 176.870 -0.072 0.000 1.236 809 L CA -0.584 54.170 54.840 -0.143 0.000 1.144 809 L CB -1.123 40.758 42.059 -0.296 0.000 1.379 809 L HN 0.900 nan 8.230 nan 0.000 0.414 810 T N -1.540 112.996 114.554 -0.029 0.000 2.640 810 T HA 0.294 4.644 4.350 0.000 0.000 0.316 810 T C 0.383 175.066 174.700 -0.027 0.000 1.036 810 T CA -0.585 61.509 62.100 -0.010 0.000 1.009 810 T CB 1.181 70.056 68.868 0.012 0.000 1.017 810 T HN 0.648 nan 8.240 nan 0.000 0.530 811 c N -1.825 116.761 118.600 -0.023 0.000 3.336 811 c HA 0.938 5.508 4.570 0.000 0.000 0.339 811 c C 0.477 174.554 174.090 -0.022 0.000 1.468 811 c CA -0.821 55.489 56.329 -0.030 0.000 1.287 811 c CB 0.922 43.402 42.510 -0.050 0.000 1.682 811 c HN 1.292 nan 8.230 nan 0.000 0.451 812 A N 0.941 123.746 122.820 -0.026 0.000 2.388 812 A HA 0.739 5.059 4.320 0.000 0.000 0.280 812 A C 0.112 177.680 177.584 -0.026 0.000 1.377 812 A CA -0.268 51.758 52.037 -0.019 0.000 0.863 812 A CB 0.078 19.068 19.000 -0.017 0.000 1.416 812 A HN 0.943 nan 8.150 nan 0.000 0.517 813 K N 0.000 120.389 120.400 -0.018 0.000 2.780 813 K HA 0.000 4.320 4.320 0.000 0.000 0.191 813 K CA 0.000 56.276 56.287 -0.019 0.000 0.838 813 K CB 0.000 32.504 32.500 0.006 0.000 1.064 813 K HN 0.000 nan 8.250 nan 0.000 0.543