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_D DATA FIRST_RESID 5 DATA SEQUENCE QVNWPYVNTK LKRDPAVEAQ IEKLLAKMTI EQKVAQMIQP EIGYLTVEQM DATA SEQUENCE RKYGFGSYLN GGNTAPYGNK RADQATWLKY 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 PLHcDXXXXX XQPITDALRI TSQNLSLAIA DVALTIKPSD DATA SEQUENCE DSISLTcA 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 0.000 176.100 176.000 0.167 0.000 1.003 5 Q CA 0.000 55.894 55.803 0.152 0.000 1.022 5 Q CB 0.000 28.798 28.738 0.100 0.000 1.108 6 V N 2.022 122.087 119.914 0.251 0.000 2.427 6 V HA 0.424 4.544 4.120 -0.000 0.000 0.286 6 V C 0.347 176.598 176.094 0.261 0.000 1.034 6 V CA -0.642 61.779 62.300 0.202 0.000 0.893 6 V CB 1.599 33.533 31.823 0.184 0.000 0.982 6 V HN 0.658 nan 8.190 nan 0.000 0.452 7 N N 3.633 122.405 118.700 0.121 0.000 2.401 7 N HA 0.227 4.967 4.740 -0.000 0.000 0.255 7 N C -1.417 174.148 175.510 0.093 0.000 1.110 7 N CA -0.555 52.582 53.050 0.145 0.000 0.949 7 N CB 0.443 38.970 38.487 0.066 0.000 1.110 7 N HN 0.568 nan 8.380 nan 0.000 0.490 8 W N 5.537 126.877 121.300 0.067 0.000 2.391 8 W HA 0.369 5.029 4.660 -0.000 0.000 0.311 8 W C -1.856 174.691 176.519 0.047 0.000 1.087 8 W CA -2.043 55.347 57.345 0.075 0.000 1.209 8 W CB 0.721 30.255 29.460 0.123 0.000 1.273 8 W HN 0.383 nan 8.180 nan 0.000 0.482 9 P HA -0.118 nan 4.420 nan 0.000 0.268 9 P C -0.914 176.483 177.300 0.163 0.000 1.204 9 P CA -0.005 63.131 63.100 0.059 0.000 0.768 9 P CB 0.654 32.250 31.700 -0.174 0.000 0.842 10 Y N 4.174 124.508 120.300 0.057 0.000 2.587 10 Y HA 0.142 4.692 4.550 0.000 0.000 0.344 10 Y C 1.234 177.168 175.900 0.057 0.000 1.061 10 Y CA 0.133 58.272 58.100 0.065 0.000 1.370 10 Y CB 0.295 38.781 38.460 0.044 0.000 1.163 10 Y HN 0.202 nan 8.280 nan 0.000 0.527 11 V N 1.802 121.544 119.914 -0.287 0.000 3.643 11 V HA 0.171 4.291 4.120 -0.000 0.000 0.280 11 V C 0.708 176.638 176.094 -0.274 0.000 1.351 11 V CA 0.425 62.622 62.300 -0.173 0.000 1.073 11 V CB -0.046 31.798 31.823 0.035 0.000 0.863 11 V HN 0.717 nan 8.190 nan 0.000 0.436 12 N N 2.672 121.011 118.700 -0.601 0.000 3.115 12 N HA 0.052 4.792 4.740 -0.000 0.000 0.305 12 N C 1.282 176.647 175.510 -0.243 0.000 1.305 12 N CA 0.867 53.687 53.050 -0.383 0.000 1.154 12 N CB -0.327 37.952 38.487 -0.347 0.000 1.454 12 N HN 0.725 nan 8.380 nan 0.000 0.551 13 T N -3.491 110.989 114.554 -0.124 0.000 3.081 13 T HA 0.058 4.408 4.350 -0.000 0.000 0.255 13 T C 1.482 176.188 174.700 0.010 0.000 1.113 13 T CA 0.448 62.564 62.100 0.026 0.000 1.082 13 T CB 0.255 69.154 68.868 0.051 0.000 0.939 13 T HN 0.242 nan 8.240 nan 0.000 0.506 14 K N -0.023 120.356 120.400 -0.034 0.000 2.286 14 K HA 0.305 4.625 4.320 -0.000 0.000 0.203 14 K C 0.430 176.974 176.600 -0.093 0.000 1.078 14 K CA -0.308 55.950 56.287 -0.049 0.000 0.957 14 K CB 0.113 32.584 32.500 -0.049 0.000 1.018 14 K HN 0.294 nan 8.250 nan 0.000 0.484 15 L N 2.908 124.053 121.223 -0.130 0.000 2.360 15 L HA 0.224 4.563 4.340 -0.000 0.000 0.276 15 L C -1.092 175.703 176.870 -0.126 0.000 1.121 15 L CA 0.143 54.859 54.840 -0.207 0.000 0.845 15 L CB 0.796 42.684 42.059 -0.285 0.000 1.143 15 L HN -0.051 nan 8.230 nan 0.000 0.452 16 K N 5.126 125.451 120.400 -0.125 0.000 2.259 16 K HA 0.472 4.792 4.320 -0.000 0.000 0.249 16 K C -0.502 176.062 176.600 -0.060 0.000 0.942 16 K CA -0.683 55.565 56.287 -0.064 0.000 0.816 16 K CB 1.700 34.171 32.500 -0.048 0.000 1.155 16 K HN 0.623 nan 8.250 nan 0.000 0.428 17 R N 0.859 121.343 120.500 -0.028 0.000 2.643 17 R HA 0.015 4.355 4.340 -0.000 0.000 0.270 17 R C -0.092 176.208 176.300 -0.001 0.000 1.061 17 R CA -0.172 55.922 56.100 -0.009 0.000 1.107 17 R CB 0.279 30.578 30.300 -0.001 0.000 0.999 17 R HN 0.475 nan 8.270 nan 0.000 0.460 18 D N 2.582 122.992 120.400 0.018 0.000 2.316 18 D HA 0.140 4.780 4.640 -0.000 0.000 0.245 18 D C -1.721 174.589 176.300 0.017 0.000 1.171 18 D CA -2.337 51.677 54.000 0.022 0.000 0.856 18 D CB 1.477 42.304 40.800 0.045 0.000 1.090 18 D HN 0.126 nan 8.370 nan 0.000 0.476 19 P HA -0.140 nan 4.420 nan 0.000 0.215 19 P C 0.977 178.280 177.300 0.005 0.000 1.153 19 P CA 1.442 64.545 63.100 0.005 0.000 0.853 19 P CB 0.143 31.843 31.700 0.001 0.000 0.788 20 A N -0.490 122.334 122.820 0.007 0.000 1.883 20 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 20 A C 2.378 179.966 177.584 0.006 0.000 1.186 20 A CA 2.105 54.144 52.037 0.003 0.000 0.624 20 A CB -1.784 17.220 19.000 0.007 0.000 0.822 20 A HN 0.042 nan 8.150 nan 0.000 0.444 21 V N 0.407 120.334 119.914 0.022 0.000 2.287 21 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 21 V C 2.586 178.692 176.094 0.021 0.000 1.053 21 V CA 2.244 64.565 62.300 0.035 0.000 1.027 21 V CB -0.740 31.118 31.823 0.058 0.000 0.646 21 V HN 0.552 nan 8.190 nan 0.000 0.447 22 E N 0.259 120.468 120.200 0.015 0.000 2.106 22 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 22 E C 2.382 178.981 176.600 -0.002 0.000 0.984 22 E CA 1.382 57.787 56.400 0.009 0.000 0.806 22 E CB -0.581 29.123 29.700 0.007 0.000 0.750 22 E HN 0.576 nan 8.360 nan 0.000 0.458 23 A N 1.688 124.504 122.820 -0.008 0.000 1.917 23 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 23 A C 2.167 179.730 177.584 -0.035 0.000 1.182 23 A CA 1.685 53.710 52.037 -0.020 0.000 0.633 23 A CB -0.508 18.479 19.000 -0.022 0.000 0.819 23 A HN 0.240 nan 8.150 nan 0.000 0.448 24 Q N -0.609 119.164 119.800 -0.044 0.000 2.016 24 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 24 Q C 2.157 178.118 176.000 -0.064 0.000 0.978 24 Q CA 1.467 57.218 55.803 -0.087 0.000 0.833 24 Q CB -0.381 28.291 28.738 -0.110 0.000 0.895 24 Q HN 0.749 nan 8.270 nan 0.000 0.427 25 I N 1.350 121.911 120.570 -0.014 0.000 2.087 25 I HA -0.327 3.843 4.170 -0.000 0.000 0.240 25 I C 2.268 178.385 176.117 0.001 0.000 1.054 25 I CA 1.263 62.569 61.300 0.011 0.000 1.311 25 I CB -0.438 37.575 38.000 0.022 0.000 1.024 25 I HN 0.162 nan 8.210 nan 0.000 0.402 26 E N 0.817 121.013 120.200 -0.006 0.000 2.118 26 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 26 E C 2.054 178.645 176.600 -0.015 0.000 0.992 26 E CA 1.148 57.544 56.400 -0.006 0.000 0.804 26 E CB -0.334 29.362 29.700 -0.007 0.000 0.741 26 E HN 0.465 nan 8.360 nan 0.000 0.458 27 K N 0.141 120.522 120.400 -0.032 0.000 2.002 27 K HA -0.158 4.161 4.320 -0.000 0.000 0.209 27 K C 2.119 178.697 176.600 -0.037 0.000 1.048 27 K CA 0.833 57.093 56.287 -0.044 0.000 0.930 27 K CB -0.073 32.382 32.500 -0.076 0.000 0.714 27 K HN -0.036 nan 8.250 nan 0.000 0.438 28 L N 1.350 122.550 121.223 -0.039 0.000 1.970 28 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 28 L C 2.238 179.115 176.870 0.012 0.000 1.071 28 L CA 1.585 56.421 54.840 -0.008 0.000 0.751 28 L CB -0.903 41.168 42.059 0.020 0.000 0.889 28 L HN 0.278 nan 8.230 nan 0.000 0.432 29 L N -1.087 120.147 121.223 0.017 0.000 2.187 29 L HA -0.239 4.101 4.340 -0.000 0.000 0.213 29 L C 2.450 179.329 176.870 0.014 0.000 1.100 29 L CA 1.191 56.044 54.840 0.022 0.000 0.765 29 L CB -0.610 41.463 42.059 0.023 0.000 0.904 29 L HN 0.354 nan 8.230 nan 0.000 0.437 30 A N 0.975 123.798 122.820 0.005 0.000 1.929 30 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 30 A C 2.051 179.637 177.584 0.004 0.000 1.176 30 A CA 1.562 53.601 52.037 0.002 0.000 0.628 30 A CB -0.188 18.810 19.000 -0.004 0.000 0.816 30 A HN 0.549 nan 8.150 nan 0.000 0.444 31 K N -1.399 119.003 120.400 0.004 0.000 2.372 31 K HA 0.399 4.719 4.320 -0.000 0.000 0.200 31 K C 0.119 176.727 176.600 0.013 0.000 1.022 31 K CA -0.169 56.121 56.287 0.005 0.000 1.125 31 K CB 0.088 32.588 32.500 -0.001 0.000 0.855 31 K HN 0.347 nan 8.250 nan 0.000 0.524 32 M N 2.831 122.443 119.600 0.020 0.000 2.180 32 M HA 0.103 4.583 4.480 -0.000 0.000 0.358 32 M C 0.172 176.489 176.300 0.028 0.000 1.233 32 M CA -0.541 54.776 55.300 0.030 0.000 1.114 32 M CB 1.627 34.252 32.600 0.042 0.000 1.594 32 M HN 0.231 nan 8.290 nan 0.000 0.467 33 T N -0.549 114.024 114.554 0.031 0.000 2.788 33 T HA 0.339 4.689 4.350 -0.000 0.000 0.287 33 T C 1.192 175.914 174.700 0.037 0.000 1.007 33 T CA -0.651 61.467 62.100 0.030 0.000 1.005 33 T CB 0.795 69.682 68.868 0.031 0.000 1.012 33 T HN 0.601 nan 8.240 nan 0.000 0.530 34 I N 0.596 121.182 120.570 0.026 0.000 2.163 34 I HA -0.176 3.994 4.170 -0.000 0.000 0.243 34 I C 2.733 178.870 176.117 0.032 0.000 1.085 34 I CA 1.590 62.901 61.300 0.018 0.000 1.347 34 I CB -0.479 37.518 38.000 -0.006 0.000 1.044 34 I HN 0.722 nan 8.210 nan 0.000 0.408 35 E N 0.641 120.870 120.200 0.049 0.000 2.114 35 E HA -0.292 4.058 4.350 -0.000 0.000 0.199 35 E C 2.191 178.926 176.600 0.225 0.000 1.008 35 E CA 1.532 58.013 56.400 0.135 0.000 0.810 35 E CB -0.210 29.591 29.700 0.168 0.000 0.739 35 E HN 0.542 nan 8.360 nan 0.000 0.456 36 Q N -0.009 119.870 119.800 0.132 0.000 2.123 36 Q HA -0.068 4.272 4.340 -0.000 0.000 0.199 36 Q C 2.067 178.144 176.000 0.128 0.000 0.966 36 Q CA 1.034 56.904 55.803 0.111 0.000 0.845 36 Q CB -0.056 28.721 28.738 0.065 0.000 0.907 36 Q HN 0.160 nan 8.270 nan 0.000 0.439 37 K N 0.187 120.652 120.400 0.108 0.000 2.026 37 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 37 K C 2.100 178.781 176.600 0.135 0.000 1.048 37 K CA 1.335 57.685 56.287 0.104 0.000 0.929 37 K CB -0.109 32.434 32.500 0.071 0.000 0.713 37 K HN -0.005 nan 8.250 nan 0.000 0.439 38 V N 1.462 121.461 119.914 0.142 0.000 2.407 38 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 38 V C 2.323 178.626 176.094 0.350 0.000 1.055 38 V CA 1.948 64.353 62.300 0.175 0.000 1.049 38 V CB -0.741 31.089 31.823 0.012 0.000 0.662 38 V HN 0.373 nan 8.190 nan 0.000 0.455 39 A N -0.719 122.362 122.820 0.435 0.000 1.892 39 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 39 A C 2.150 179.898 177.584 0.274 0.000 1.188 39 A CA 1.845 54.068 52.037 0.309 0.000 0.631 39 A CB -0.553 18.492 19.000 0.075 0.000 0.822 39 A HN 0.505 nan 8.150 nan 0.000 0.447 40 Q N -0.910 119.021 119.800 0.218 0.000 2.297 40 Q HA -0.085 4.255 4.340 -0.000 0.000 0.208 40 Q C 1.841 177.912 176.000 0.118 0.000 0.981 40 Q CA 1.415 57.359 55.803 0.235 0.000 0.876 40 Q CB -0.335 28.549 28.738 0.244 0.000 0.921 40 Q HN 0.825 nan 8.270 nan 0.000 0.446 41 M N -0.652 119.007 119.600 0.099 0.000 2.465 41 M HA 0.100 4.580 4.480 -0.000 0.000 0.249 41 M C 0.034 176.331 176.300 -0.005 0.000 1.130 41 M CA 0.080 55.366 55.300 -0.022 0.000 1.067 41 M CB 0.717 33.350 32.600 0.054 0.000 1.394 41 M HN -0.117 nan 8.290 nan 0.000 0.483 42 I N 1.380 122.028 120.570 0.129 0.000 2.353 42 I HA 0.218 4.388 4.170 -0.000 0.000 0.293 42 I C -0.005 176.063 176.117 -0.083 0.000 0.992 42 I CA -0.051 61.290 61.300 0.069 0.000 1.268 42 I CB 1.000 39.175 38.000 0.292 0.000 1.387 42 I HN 0.193 nan 8.210 nan 0.000 0.478 43 Q N 8.098 127.776 119.800 -0.204 0.000 2.413 43 Q HA 0.445 4.785 4.340 -0.000 0.000 0.258 43 Q C -2.602 173.195 176.000 -0.337 0.000 1.037 43 Q CA -1.572 54.117 55.803 -0.191 0.000 0.764 43 Q CB 2.017 30.732 28.738 -0.038 0.000 1.217 43 Q HN 0.322 nan 8.270 nan 0.000 0.490 44 P HA 0.110 nan 4.420 nan 0.000 0.276 44 P C -0.926 176.212 177.300 -0.269 0.000 1.252 44 P CA -0.342 62.322 63.100 -0.726 0.000 0.802 44 P CB 0.814 31.534 31.700 -1.632 0.000 1.035 45 E N 1.126 121.272 120.200 -0.091 0.000 2.191 45 E HA 0.154 4.503 4.350 -0.000 0.000 0.274 45 E C 1.284 177.962 176.600 0.129 0.000 0.948 45 E CA -0.542 55.937 56.400 0.132 0.000 0.802 45 E CB 1.182 31.037 29.700 0.257 0.000 1.137 45 E HN 0.425 nan 8.360 nan 0.000 0.397 46 I N 1.328 121.995 120.570 0.160 0.000 2.315 46 I HA -0.147 4.023 4.170 -0.000 0.000 0.251 46 I C 1.613 177.713 176.117 -0.029 0.000 1.125 46 I CA 1.822 63.169 61.300 0.079 0.000 1.392 46 I CB -0.413 37.640 38.000 0.089 0.000 1.065 46 I HN 0.511 nan 8.210 nan 0.000 0.424 47 G N -0.198 108.547 108.800 -0.091 0.000 2.498 47 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 47 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 47 G C 1.024 175.596 174.900 -0.546 0.000 1.119 47 G CA 0.867 45.744 45.100 -0.371 0.000 0.766 47 G HN 0.631 nan 8.290 nan 0.000 0.552 48 Y N -1.895 118.466 120.300 0.101 0.000 2.425 48 Y HA 0.410 4.960 4.550 0.000 0.000 0.261 48 Y C 0.580 176.613 175.900 0.222 0.000 1.084 48 Y CA -1.089 57.119 58.100 0.180 0.000 1.248 48 Y CB 0.372 39.004 38.460 0.286 0.000 1.270 48 Y HN 0.061 nan 8.280 nan 0.000 0.524 49 L N 2.145 123.447 121.223 0.132 0.000 2.326 49 L HA 0.497 4.837 4.340 -0.000 0.000 0.278 49 L C 0.397 177.257 176.870 -0.016 0.000 1.092 49 L CA -0.129 54.676 54.840 -0.057 0.000 0.810 49 L CB 0.820 42.673 42.059 -0.345 0.000 1.153 49 L HN 0.204 nan 8.230 nan 0.000 0.439 50 T N 1.164 115.733 114.554 0.024 0.000 2.944 50 T HA 0.388 4.738 4.350 -0.000 0.000 0.284 50 T C 1.459 176.092 174.700 -0.112 0.000 1.010 50 T CA -0.260 61.823 62.100 -0.027 0.000 1.025 50 T CB 1.262 70.149 68.868 0.031 0.000 1.079 50 T HN 0.594 nan 8.240 nan 0.000 0.516 51 V N -0.818 118.993 119.914 -0.172 0.000 2.282 51 V HA -0.142 3.978 4.120 -0.000 0.000 0.249 51 V C 2.489 178.516 176.094 -0.112 0.000 1.057 51 V CA 2.217 64.394 62.300 -0.206 0.000 1.032 51 V CB -1.463 30.239 31.823 -0.201 0.000 0.645 51 V HN 0.927 nan 8.190 nan 0.000 0.447 52 E N 0.588 120.756 120.200 -0.054 0.000 2.160 52 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 52 E C 2.277 178.884 176.600 0.013 0.000 0.991 52 E CA 1.717 58.102 56.400 -0.025 0.000 0.810 52 E CB -0.439 29.260 29.700 -0.002 0.000 0.742 52 E HN 0.799 nan 8.360 nan 0.000 0.466 53 Q N -1.007 118.849 119.800 0.094 0.000 2.123 53 Q HA -0.120 4.220 4.340 -0.000 0.000 0.199 53 Q C 2.070 178.193 176.000 0.205 0.000 0.966 53 Q CA 1.397 57.364 55.803 0.273 0.000 0.845 53 Q CB -0.181 28.812 28.738 0.425 0.000 0.907 53 Q HN 0.286 nan 8.270 nan 0.000 0.439 54 M N 0.896 120.530 119.600 0.057 0.000 2.108 54 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 54 M C 1.953 178.180 176.300 -0.122 0.000 1.066 54 M CA 1.729 57.005 55.300 -0.040 0.000 1.107 54 M CB -0.211 32.293 32.600 -0.160 0.000 1.356 54 M HN -0.037 nan 8.290 nan 0.000 0.406 55 R N -0.431 119.998 120.500 -0.118 0.000 2.075 55 R HA -0.178 4.161 4.340 -0.000 0.000 0.232 55 R C 2.347 178.536 176.300 -0.185 0.000 1.126 55 R CA 1.867 57.886 56.100 -0.136 0.000 0.963 55 R CB -0.246 29.989 30.300 -0.108 0.000 0.858 55 R HN 0.462 nan 8.270 nan 0.000 0.435 56 K N -0.832 119.432 120.400 -0.226 0.000 2.025 56 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 56 K C 1.491 177.714 176.600 -0.628 0.000 1.049 56 K CA 1.584 57.619 56.287 -0.419 0.000 0.933 56 K CB -0.046 32.140 32.500 -0.523 0.000 0.714 56 K HN 0.208 nan 8.250 nan 0.000 0.438 57 Y N -0.668 119.339 120.300 -0.487 0.000 2.389 57 Y HA 0.240 4.790 4.550 -0.000 0.000 0.292 57 Y C 1.153 176.646 175.900 -0.679 0.000 1.117 57 Y CA 0.486 58.096 58.100 -0.816 0.000 1.195 57 Y CB 0.368 37.828 38.460 -1.667 0.000 1.076 57 Y HN 0.271 nan 8.280 nan 0.000 0.548 58 G N 1.054 109.616 108.800 -0.397 0.000 2.353 58 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.294 58 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.294 58 G C -0.463 174.341 174.900 -0.160 0.000 1.077 58 G CA -0.468 44.500 45.100 -0.220 0.000 1.098 58 G HN 0.111 nan 8.290 nan 0.000 0.511 59 F N 0.185 120.133 119.950 -0.002 0.000 2.563 59 F HA 0.395 4.922 4.527 -0.000 0.000 0.363 59 F C 1.985 177.843 175.800 0.096 0.000 1.123 59 F CA 0.932 58.943 58.000 0.017 0.000 1.307 59 F CB 0.639 39.610 39.000 -0.049 0.000 1.115 59 F HN 0.156 nan 8.300 nan 0.000 0.592 60 G N 1.172 110.190 108.800 0.364 0.000 2.442 60 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.219 60 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.219 60 G C 0.298 175.514 174.900 0.527 0.000 1.141 60 G CA 1.035 46.404 45.100 0.449 0.000 0.763 60 G HN 0.710 nan 8.290 nan 0.000 0.554 61 S N -1.666 114.310 115.700 0.460 0.000 2.638 61 S HA 0.719 5.189 4.470 -0.000 0.000 0.274 61 S C -0.971 173.874 174.600 0.410 0.000 1.157 61 S CA -0.875 57.630 58.200 0.508 0.000 0.826 61 S CB 1.963 65.608 63.200 0.742 0.000 1.139 61 S HN 0.867 nan 8.310 nan 0.000 0.474 62 Y N -0.653 119.766 120.300 0.197 0.000 2.615 62 Y HA 0.873 5.423 4.550 -0.001 0.000 0.341 62 Y C -1.611 174.409 175.900 0.201 0.000 1.089 62 Y CA -1.611 56.515 58.100 0.044 0.000 1.049 62 Y CB 0.798 39.183 38.460 -0.125 0.000 1.296 62 Y HN 0.814 nan 8.280 nan 0.000 0.470 63 L N 2.443 123.797 121.223 0.217 0.000 2.362 63 L HA 0.604 4.944 4.340 -0.000 0.000 0.271 63 L C -1.224 175.924 176.870 0.464 0.000 1.002 63 L CA -0.639 54.370 54.840 0.282 0.000 0.818 63 L CB 1.876 44.094 42.059 0.266 0.000 1.298 63 L HN 0.827 nan 8.230 nan 0.000 0.420 64 N N 3.090 122.114 118.700 0.541 0.000 2.645 64 N HA 0.426 5.166 4.740 -0.000 0.000 0.233 64 N C -0.052 175.675 175.510 0.362 0.000 1.058 64 N CA 0.045 53.417 53.050 0.537 0.000 0.942 64 N CB 0.713 39.449 38.487 0.415 0.000 1.210 64 N HN 0.871 nan 8.380 nan 0.000 0.512 65 G N 0.990 110.039 108.800 0.416 0.000 2.636 65 G HA2 0.392 4.352 3.960 -0.000 0.000 0.246 65 G HA3 0.392 4.352 3.960 -0.000 0.000 0.246 65 G C 0.513 175.556 174.900 0.238 0.000 1.216 65 G CA -0.411 44.941 45.100 0.419 0.000 0.854 65 G HN 0.564 nan 8.290 nan 0.000 0.572 66 G N -1.218 107.672 108.800 0.149 0.000 2.559 66 G HA2 0.240 4.200 3.960 -0.000 0.000 0.235 66 G HA3 0.240 4.200 3.960 -0.000 0.000 0.235 66 G C 0.589 175.484 174.900 -0.009 0.000 1.266 66 G CA 0.495 45.655 45.100 0.100 0.000 0.847 66 G HN 1.009 nan 8.290 nan 0.000 0.583 67 N N -1.845 116.886 118.700 0.051 0.000 2.778 67 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 67 N C 0.159 175.686 175.510 0.028 0.000 1.069 67 N CA 1.479 54.545 53.050 0.027 0.000 0.831 67 N CB -0.695 37.790 38.487 -0.004 0.000 1.142 67 N HN 0.642 nan 8.380 nan 0.000 0.573 68 T N -0.836 113.757 114.554 0.065 0.000 2.893 68 T HA 0.846 5.196 4.350 -0.000 0.000 0.291 68 T C -1.290 173.437 174.700 0.046 0.000 1.028 68 T CA 0.155 62.285 62.100 0.050 0.000 0.995 68 T CB 1.589 70.516 68.868 0.100 0.000 1.051 68 T HN 0.281 nan 8.240 nan 0.000 0.470 69 A N 4.399 127.183 122.820 -0.059 0.000 2.539 69 A HA 0.875 5.195 4.320 -0.000 0.000 0.296 69 A C -2.924 174.434 177.584 -0.377 0.000 1.073 69 A CA -1.736 50.187 52.037 -0.189 0.000 0.700 69 A CB 1.424 20.336 19.000 -0.145 0.000 1.296 69 A HN 0.593 nan 8.150 nan 0.000 0.405 70 P HA 0.250 nan 4.420 nan 0.000 0.265 70 P C -0.760 176.301 177.300 -0.400 0.000 1.222 70 P CA 1.089 63.683 63.100 -0.844 0.000 0.767 70 P CB -0.243 30.956 31.700 -0.836 0.000 0.801 71 Y N 0.371 120.409 120.300 -0.436 0.000 4.950 71 Y HA -0.169 4.382 4.550 0.001 0.000 0.263 71 Y C 1.036 176.847 175.900 -0.150 0.000 0.909 71 Y CA 1.127 59.104 58.100 -0.205 0.000 1.862 71 Y CB -1.975 36.397 38.460 -0.147 0.000 1.328 71 Y HN 0.579 nan 8.280 nan 0.000 0.547 72 G N -0.384 108.388 108.800 -0.047 0.000 2.470 72 G HA2 0.643 4.603 3.960 -0.000 0.000 0.320 72 G HA3 0.643 4.603 3.960 -0.000 0.000 0.320 72 G C 0.022 174.873 174.900 -0.082 0.000 1.245 72 G CA 0.671 45.715 45.100 -0.094 0.000 0.935 72 G HN 0.691 nan 8.290 nan 0.000 0.476 73 N N -0.594 118.048 118.700 -0.097 0.000 2.601 73 N HA 0.588 5.328 4.740 -0.000 0.000 0.342 73 N C 0.631 176.057 175.510 -0.140 0.000 0.589 73 N CA 1.119 54.100 53.050 -0.115 0.000 1.513 73 N CB -0.284 nan 38.487 nan 0.000 1.677 73 N HN 1.993 nan 8.380 nan 0.000 1.796 74 K N -0.825 119.478 120.400 -0.162 0.000 1.130 74 K HA 0.627 4.947 4.320 -0.000 0.000 1.025 74 K C -0.142 176.362 176.600 -0.159 0.000 0.582 74 K CA 1.406 57.608 56.287 -0.142 0.000 0.773 74 K CB -2.503 nan 32.500 nan 0.000 3.433 74 K HN 2.117 nan 8.250 nan 0.000 0.156 75 R N 0.353 120.688 120.500 -0.274 0.000 2.446 75 R HA 0.753 5.093 4.340 -0.000 0.000 0.325 75 R C 0.759 176.912 176.300 -0.245 0.000 0.997 75 R CA 0.697 56.605 56.100 -0.320 0.000 1.010 75 R CB -0.324 nan 30.300 nan 0.000 0.946 75 R HN 2.307 nan 8.270 nan 0.000 0.422 76 A N 2.910 125.761 122.820 0.052 0.000 2.330 76 A HA 0.664 4.984 4.320 -0.000 0.000 0.329 76 A C -0.274 177.504 177.584 0.323 0.000 1.135 76 A CA -0.464 51.622 52.037 0.082 0.000 0.817 76 A CB 0.836 19.789 19.000 -0.077 0.000 1.269 76 A HN 0.924 nan 8.150 nan 0.000 0.469 77 D N 0.741 121.286 120.400 0.241 0.000 2.348 77 D HA 0.164 4.804 4.640 -0.000 0.000 0.249 77 D C 0.355 176.867 176.300 0.352 0.000 1.110 77 D CA -0.366 53.792 54.000 0.263 0.000 0.967 77 D CB 0.621 41.513 40.800 0.153 0.000 1.139 77 D HN 0.400 nan 8.370 nan 0.000 0.466 78 Q N 0.754 120.706 119.800 0.253 0.000 2.156 78 Q HA -0.203 4.137 4.340 -0.000 0.000 0.211 78 Q C 2.191 178.352 176.000 0.267 0.000 0.995 78 Q CA 2.938 58.882 55.803 0.236 0.000 0.877 78 Q CB -0.793 28.016 28.738 0.119 0.000 0.920 78 Q HN 0.703 nan 8.270 nan 0.000 0.416 79 A N 0.154 123.086 122.820 0.187 0.000 1.917 79 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 79 A C 2.332 180.032 177.584 0.193 0.000 1.182 79 A CA 2.355 54.484 52.037 0.154 0.000 0.633 79 A CB -1.242 17.812 19.000 0.089 0.000 0.819 79 A HN 0.588 nan 8.150 nan 0.000 0.448 80 T N -4.434 110.237 114.554 0.194 0.000 2.896 80 T HA -0.157 4.193 4.350 -0.000 0.000 0.263 80 T C 1.618 176.512 174.700 0.325 0.000 1.050 80 T CA 1.197 63.387 62.100 0.151 0.000 1.140 80 T CB -0.500 68.348 68.868 -0.034 0.000 0.877 80 T HN 0.548 nan 8.240 nan 0.000 0.457 81 W N 1.428 122.897 121.300 0.281 0.000 2.335 81 W HA 0.146 4.805 4.660 -0.002 0.000 0.311 81 W C 2.348 179.147 176.519 0.467 0.000 1.213 81 W CA 0.573 58.146 57.345 0.381 0.000 1.274 81 W CB -0.590 28.989 29.460 0.198 0.000 1.148 81 W HN 0.204 nan 8.180 nan 0.000 0.498 82 L N -0.041 121.510 121.223 0.547 0.000 2.093 82 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 82 L C 2.462 179.549 176.870 0.362 0.000 1.085 82 L CA 1.173 56.257 54.840 0.406 0.000 0.755 82 L CB -0.838 41.376 42.059 0.259 0.000 0.904 82 L HN -0.112 nan 8.230 nan 0.000 0.435 83 K N 0.019 120.621 120.400 0.337 0.000 2.026 83 K HA -0.251 4.069 4.320 -0.000 0.000 0.208 83 K C 2.105 178.906 176.600 0.336 0.000 1.048 83 K CA 1.673 58.130 56.287 0.282 0.000 0.929 83 K CB -0.637 32.001 32.500 0.230 0.000 0.713 83 K HN 0.196 nan 8.250 nan 0.000 0.439 84 Y N 0.229 120.733 120.300 0.341 0.000 2.181 84 Y HA -0.128 4.422 4.550 -0.000 0.000 0.288 84 Y C 1.919 177.884 175.900 0.109 0.000 1.146 84 Y CA 1.860 60.064 58.100 0.173 0.000 1.164 84 Y CB -0.511 37.999 38.460 0.083 0.000 0.982 84 Y HN 0.132 nan 8.280 nan 0.000 0.515 85 A N -0.005 123.109 122.820 0.489 0.000 1.902 85 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 85 A C 1.945 179.685 177.584 0.261 0.000 1.181 85 A CA 2.001 54.328 52.037 0.483 0.000 0.623 85 A CB -0.809 18.639 19.000 0.747 0.000 0.818 85 A HN 0.512 nan 8.150 nan 0.000 0.443 86 D N -0.240 120.288 120.400 0.213 0.000 2.097 86 D HA -0.125 4.514 4.640 -0.000 0.000 0.195 86 D C 1.956 178.319 176.300 0.106 0.000 0.989 86 D CA 1.170 55.265 54.000 0.158 0.000 0.827 86 D CB -0.317 40.558 40.800 0.126 0.000 0.966 86 D HN 0.403 nan 8.370 nan 0.000 0.456 87 E N 0.177 120.377 120.200 -0.001 0.000 2.070 87 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 87 E C 2.154 178.635 176.600 -0.198 0.000 1.004 87 E CA 0.829 57.162 56.400 -0.112 0.000 0.805 87 E CB -0.199 29.380 29.700 -0.202 0.000 0.744 87 E HN 0.300 nan 8.360 nan 0.000 0.451 88 M N -0.498 118.901 119.600 -0.335 0.000 2.099 88 M HA -0.156 4.324 4.480 -0.000 0.000 0.262 88 M C 2.305 178.547 176.300 -0.097 0.000 1.067 88 M CA 1.143 56.217 55.300 -0.376 0.000 1.124 88 M CB -1.253 30.904 32.600 -0.738 0.000 1.353 88 M HN 0.149 nan 8.290 nan 0.000 0.410 89 Y N 1.436 121.703 120.300 -0.055 0.000 2.081 89 Y HA -0.265 4.285 4.550 0.000 0.000 0.280 89 Y C 2.227 178.115 175.900 -0.020 0.000 1.163 89 Y CA 1.953 60.060 58.100 0.013 0.000 1.135 89 Y CB -0.508 37.994 38.460 0.071 0.000 0.970 89 Y HN 0.084 nan 8.280 nan 0.000 0.498 90 L N -0.131 121.178 121.223 0.142 0.000 2.042 90 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 90 L C 2.826 179.644 176.870 -0.087 0.000 1.076 90 L CA 1.316 56.170 54.840 0.024 0.000 0.749 90 L CB -1.061 41.045 42.059 0.079 0.000 0.893 90 L HN 0.388 nan 8.230 nan 0.000 0.432 91 A N -0.115 122.643 122.820 -0.102 0.000 1.908 91 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 91 A C 2.495 179.992 177.584 -0.145 0.000 1.181 91 A CA 1.934 53.894 52.037 -0.127 0.000 0.627 91 A CB -0.731 18.176 19.000 -0.155 0.000 0.818 91 A HN 0.427 nan 8.150 nan 0.000 0.445 92 A N -1.800 120.919 122.820 -0.169 0.000 1.929 92 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 92 A C 2.081 179.541 177.584 -0.207 0.000 1.176 92 A CA 1.924 53.859 52.037 -0.170 0.000 0.628 92 A CB -0.403 18.510 19.000 -0.146 0.000 0.816 92 A HN 0.416 nan 8.150 nan 0.000 0.444 93 M N 0.566 119.988 119.600 -0.297 0.000 2.175 93 M HA -0.005 4.475 4.480 -0.000 0.000 0.264 93 M C 0.310 176.525 176.300 -0.143 0.000 1.063 93 M CA 0.547 55.674 55.300 -0.289 0.000 1.119 93 M CB -0.900 31.457 32.600 -0.405 0.000 1.377 93 M HN 0.370 nan 8.290 nan 0.000 0.415 94 D N -0.202 120.127 120.400 -0.118 0.000 2.434 94 D HA 0.000 4.640 4.640 -0.000 0.000 0.252 94 D C 0.620 176.874 176.300 -0.076 0.000 1.185 94 D CA 0.431 54.383 54.000 -0.079 0.000 0.886 94 D CB 0.641 41.398 40.800 -0.073 0.000 1.148 94 D HN 0.317 nan 8.370 nan 0.000 0.483 95 S N 1.280 116.947 115.700 -0.055 0.000 2.597 95 S HA -0.001 4.469 4.470 -0.000 0.000 0.224 95 S C 1.524 176.093 174.600 -0.052 0.000 0.955 95 S CA -0.264 57.906 58.200 -0.050 0.000 0.933 95 S CB 0.151 63.334 63.200 -0.028 0.000 0.788 95 S HN 0.417 nan 8.310 nan 0.000 0.488 96 T N 2.837 117.358 114.554 -0.055 0.000 2.759 96 T HA 0.057 4.407 4.350 -0.000 0.000 0.269 96 T C 1.396 176.057 174.700 -0.065 0.000 1.042 96 T CA 1.563 63.631 62.100 -0.052 0.000 1.140 96 T CB -0.282 68.557 68.868 -0.048 0.000 0.864 96 T HN 0.416 nan 8.240 nan 0.000 0.455 97 L N 0.402 121.571 121.223 -0.090 0.000 2.445 97 L HA 0.144 4.484 4.340 -0.000 0.000 0.207 97 L C 2.226 179.020 176.870 -0.126 0.000 1.053 97 L CA 0.580 55.352 54.840 -0.113 0.000 0.841 97 L CB -0.151 41.819 42.059 -0.149 0.000 1.074 97 L HN 0.214 nan 8.230 nan 0.000 0.479 98 D N -0.252 120.068 120.400 -0.134 0.000 2.348 98 D HA 0.008 4.648 4.640 -0.000 0.000 0.211 98 D C 1.444 177.705 176.300 -0.065 0.000 0.998 98 D CA 0.915 54.841 54.000 -0.124 0.000 0.873 98 D CB 0.258 40.965 40.800 -0.155 0.000 0.925 98 D HN 0.243 nan 8.370 nan 0.000 0.524 99 G N 0.731 109.498 108.800 -0.056 0.000 2.143 99 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.248 99 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.248 99 G C 0.022 174.911 174.900 -0.017 0.000 0.991 99 G CA 0.518 45.599 45.100 -0.031 0.000 0.689 99 G HN 0.562 nan 8.290 nan 0.000 0.522 100 I N -1.077 119.481 120.570 -0.021 0.000 3.004 100 I HA 0.677 4.847 4.170 -0.000 0.000 0.305 100 I C -0.605 175.509 176.117 -0.006 0.000 1.312 100 I CA -0.745 60.556 61.300 0.000 0.000 0.992 100 I CB 1.866 39.877 38.000 0.020 0.000 1.282 100 I HN 0.495 nan 8.210 nan 0.000 0.449 101 A N 7.668 130.504 122.820 0.027 0.000 2.923 101 A HA 0.679 4.999 4.320 -0.000 0.000 0.343 101 A C -0.943 176.684 177.584 0.072 0.000 1.199 101 A CA -0.235 51.814 52.037 0.020 0.000 0.878 101 A CB -0.396 18.629 19.000 0.042 0.000 1.104 101 A HN 0.473 nan 8.150 nan 0.000 0.483 102 I N 2.420 122.988 120.570 -0.003 0.000 2.382 102 I HA 0.304 4.474 4.170 -0.000 0.000 0.286 102 I C -2.447 173.547 176.117 -0.205 0.000 1.002 102 I CA -2.326 58.943 61.300 -0.052 0.000 1.135 102 I CB 2.208 40.236 38.000 0.046 0.000 1.288 102 I HN 0.274 nan 8.210 nan 0.000 0.448 103 P HA -0.010 nan 4.420 nan 0.000 0.265 103 P C 0.027 177.244 177.300 -0.138 0.000 1.187 103 P CA 0.185 63.079 63.100 -0.343 0.000 0.766 103 P CB 0.587 32.103 31.700 -0.306 0.000 0.820 104 T N 1.382 115.930 114.554 -0.009 0.000 2.824 104 T HA 0.538 4.887 4.350 -0.000 0.000 0.277 104 T C -0.493 174.333 174.700 0.209 0.000 0.975 104 T CA -0.487 61.702 62.100 0.149 0.000 0.966 104 T CB 0.321 69.336 68.868 0.245 0.000 1.054 104 T HN 0.249 nan 8.240 nan 0.000 0.533 105 V N 0.181 120.255 119.914 0.267 0.000 2.841 105 V HA 0.636 4.756 4.120 -0.000 0.000 0.310 105 V C -1.151 175.071 176.094 0.214 0.000 1.090 105 V CA -1.281 61.153 62.300 0.223 0.000 0.930 105 V CB 1.598 33.460 31.823 0.066 0.000 1.014 105 V HN 0.893 nan 8.190 nan 0.000 0.425 106 W N 3.270 124.460 121.300 -0.184 0.000 2.287 106 W HA 0.790 5.449 4.660 -0.001 0.000 0.313 106 W C 0.459 176.850 176.519 -0.214 0.000 1.267 106 W CA 0.021 57.017 57.345 -0.581 0.000 1.201 106 W CB 1.372 30.584 29.460 -0.414 0.000 1.196 106 W HN 1.082 nan 8.180 nan 0.000 0.536 107 G N 2.632 111.493 108.800 0.102 0.000 2.420 107 G HA2 0.560 4.520 3.960 -0.000 0.000 0.331 107 G HA3 0.560 4.520 3.960 -0.000 0.000 0.331 107 G C -1.343 173.191 174.900 -0.610 0.000 1.168 107 G CA -0.378 44.491 45.100 -0.385 0.000 0.936 107 G HN 0.360 nan 8.290 nan 0.000 0.479 108 T N 0.120 114.008 114.554 -1.110 0.000 2.923 108 T HA 0.350 4.700 4.350 -0.000 0.000 0.311 108 T C -1.558 172.436 174.700 -1.176 0.000 1.183 108 T CA -0.643 60.957 62.100 -0.833 0.000 1.020 108 T CB 1.930 70.511 68.868 -0.478 0.000 1.165 108 T HN 0.477 nan 8.240 nan 0.000 0.482 109 D N 2.006 122.063 120.400 -0.570 0.000 2.302 109 D HA 0.529 5.169 4.640 -0.000 0.000 0.248 109 D C -0.577 175.628 176.300 -0.158 0.000 1.094 109 D CA -0.229 53.617 54.000 -0.257 0.000 0.897 109 D CB 1.460 42.286 40.800 0.043 0.000 1.200 109 D HN 0.649 nan 8.370 nan 0.000 0.429 110 A N 4.401 127.143 122.820 -0.129 0.000 3.258 110 A HA 0.137 4.457 4.320 -0.000 0.000 0.318 110 A C 0.873 178.460 177.584 0.004 0.000 0.990 110 A CA -0.501 51.499 52.037 -0.061 0.000 0.885 110 A CB 0.523 19.436 19.000 -0.145 0.000 1.090 110 A HN 0.544 nan 8.150 nan 0.000 0.479 111 M N 1.088 120.729 119.600 0.068 0.000 2.106 111 M HA -0.110 4.370 4.480 -0.000 0.000 0.259 111 M C 0.887 177.343 176.300 0.260 0.000 1.068 111 M CA 2.335 57.700 55.300 0.109 0.000 1.100 111 M CB -0.533 32.179 32.600 0.187 0.000 1.351 111 M HN 0.846 nan 8.290 nan 0.000 0.404 112 H N -3.200 115.913 119.070 0.071 0.000 2.980 112 H HA 0.520 5.076 4.556 0.000 0.000 0.254 112 H C 0.014 175.462 175.328 0.200 0.000 1.406 112 H CA -0.580 55.520 56.048 0.088 0.000 1.479 112 H CB -0.383 29.329 29.762 -0.084 0.000 2.097 112 H HN 0.412 nan 8.280 nan 0.000 0.658 113 G N 1.064 109.968 108.800 0.174 0.000 2.582 113 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.222 113 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.222 113 G C -0.932 174.017 174.900 0.080 0.000 1.311 113 G CA -0.541 44.687 45.100 0.213 0.000 0.915 113 G HN 0.717 nan 8.290 nan 0.000 0.528 114 H N 1.765 120.805 119.070 -0.049 0.000 3.195 114 H HA 0.462 5.018 4.556 0.000 0.000 0.241 114 H C 2.124 177.395 175.328 -0.095 0.000 1.823 114 H CA 0.847 56.821 56.048 -0.124 0.000 1.466 114 H CB -0.452 29.197 29.762 -0.188 0.000 1.819 114 H HN 0.465 nan 8.280 nan 0.000 0.575 115 S N 1.987 117.777 115.700 0.150 0.000 2.380 115 S HA -0.241 4.229 4.470 -0.000 0.000 0.229 115 S C 1.467 176.156 174.600 0.149 0.000 1.050 115 S CA 1.807 60.099 58.200 0.154 0.000 1.100 115 S CB -0.102 63.309 63.200 0.352 0.000 0.984 115 S HN 0.860 nan 8.310 nan 0.000 0.434 116 N N 0.836 119.633 118.700 0.161 0.000 2.575 116 N HA 0.141 4.881 4.740 -0.000 0.000 0.275 116 N C -0.924 174.638 175.510 0.087 0.000 1.202 116 N CA -0.056 53.082 53.050 0.146 0.000 0.945 116 N CB 0.343 38.958 38.487 0.213 0.000 1.247 116 N HN 0.152 nan 8.380 nan 0.000 0.510 117 V N 2.019 121.898 119.914 -0.058 0.000 2.409 117 V HA 0.149 4.269 4.120 -0.000 0.000 0.291 117 V C -0.528 175.573 176.094 0.011 0.000 1.020 117 V CA -1.070 61.179 62.300 -0.086 0.000 0.848 117 V CB 0.947 32.362 31.823 -0.679 0.000 0.990 117 V HN 0.300 nan 8.190 nan 0.000 0.430 118 Y N 4.448 124.751 120.300 0.005 0.000 2.805 118 Y HA 0.344 4.893 4.550 -0.002 0.000 0.331 118 Y C 1.342 177.222 175.900 -0.034 0.000 1.241 118 Y CA 1.752 59.832 58.100 -0.032 0.000 1.546 118 Y CB 0.389 38.853 38.460 0.007 0.000 1.248 118 Y HN 0.991 nan 8.280 nan 0.000 0.559 119 G N 3.054 111.586 108.800 -0.446 0.000 2.241 119 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 119 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 119 G C 0.358 175.147 174.900 -0.184 0.000 0.998 119 G CA -0.075 44.806 45.100 -0.364 0.000 0.621 119 G HN 1.362 nan 8.290 nan 0.000 0.519 120 A N 0.810 123.541 122.820 -0.147 0.000 2.483 120 A HA 0.564 4.884 4.320 -0.000 0.000 0.238 120 A C 0.897 178.411 177.584 -0.118 0.000 1.070 120 A CA 1.346 53.318 52.037 -0.109 0.000 0.770 120 A CB 0.108 19.037 19.000 -0.118 0.000 1.008 120 A HN 0.947 nan 8.150 nan 0.000 0.497 121 T N 2.686 117.162 114.554 -0.129 0.000 2.870 121 T HA 0.393 4.743 4.350 -0.000 0.000 0.300 121 T C -0.020 174.451 174.700 -0.382 0.000 0.989 121 T CA 0.352 62.282 62.100 -0.284 0.000 1.139 121 T CB -0.065 68.572 68.868 -0.385 0.000 0.920 121 T HN 0.391 nan 8.240 nan 0.000 0.537 122 L N 4.280 125.248 121.223 -0.425 0.000 2.301 122 L HA 0.450 4.790 4.340 -0.000 0.000 0.278 122 L C -0.236 176.400 176.870 -0.390 0.000 1.022 122 L CA -0.800 53.776 54.840 -0.441 0.000 0.854 122 L CB 0.187 42.040 42.059 -0.344 0.000 1.226 122 L HN 0.567 nan 8.230 nan 0.000 0.429 123 F N 2.883 122.736 119.950 -0.163 0.000 2.485 123 F HA 0.240 4.767 4.527 0.001 0.000 0.327 123 F C -1.630 174.185 175.800 0.025 0.000 1.203 123 F CA -1.728 56.243 58.000 -0.049 0.000 1.295 123 F CB -0.258 38.724 39.000 -0.030 0.000 1.191 123 F HN 0.264 nan 8.300 nan 0.000 0.588 124 P HA -0.026 nan 4.420 nan 0.000 0.267 124 P C -0.419 177.003 177.300 0.204 0.000 1.200 124 P CA 0.280 63.490 63.100 0.183 0.000 0.772 124 P CB 0.291 32.109 31.700 0.197 0.000 0.855 125 H N 2.239 121.403 119.070 0.157 0.000 2.836 125 H HA 0.026 4.582 4.556 0.000 0.000 0.368 125 H C 1.478 176.868 175.328 0.103 0.000 1.164 125 H CA 0.441 56.535 56.048 0.078 0.000 1.425 125 H CB 0.433 30.193 29.762 -0.002 0.000 1.414 125 H HN 0.413 nan 8.280 nan 0.000 0.614 126 N N 1.627 120.446 118.700 0.198 0.000 2.091 126 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 126 N C 2.044 177.649 175.510 0.158 0.000 1.021 126 N CA 1.048 54.130 53.050 0.053 0.000 0.862 126 N CB -0.381 37.844 38.487 -0.435 0.000 1.018 126 N HN 0.636 nan 8.380 nan 0.000 0.429 127 I N 0.127 120.735 120.570 0.063 0.000 2.315 127 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 127 I C 1.879 177.781 176.117 -0.358 0.000 1.125 127 I CA 1.606 62.850 61.300 -0.093 0.000 1.392 127 I CB -0.296 37.509 38.000 -0.326 0.000 1.065 127 I HN 0.135 nan 8.210 nan 0.000 0.424 128 G N 0.612 109.302 108.800 -0.184 0.000 2.395 128 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.214 128 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.214 128 G C 1.555 176.531 174.900 0.127 0.000 1.177 128 G CA 0.501 45.554 45.100 -0.080 0.000 0.794 128 G HN 0.383 nan 8.290 nan 0.000 0.532 129 L N 1.049 122.412 121.223 0.234 0.000 2.051 129 L HA -0.116 4.224 4.340 -0.000 0.000 0.214 129 L C 3.119 180.256 176.870 0.445 0.000 1.076 129 L CA 1.315 56.352 54.840 0.327 0.000 0.758 129 L CB -0.917 41.389 42.059 0.410 0.000 0.890 129 L HN 0.340 nan 8.230 nan 0.000 0.433 130 G N -0.323 108.723 108.800 0.411 0.000 2.421 130 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 130 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 130 G C 1.792 176.712 174.900 0.033 0.000 1.171 130 G CA 0.836 46.012 45.100 0.128 0.000 0.775 130 G HN 0.479 nan 8.290 nan 0.000 0.543 131 A N 1.154 123.997 122.820 0.037 0.000 1.986 131 A HA 0.175 4.495 4.320 -0.000 0.000 0.220 131 A C 2.729 180.390 177.584 0.128 0.000 1.171 131 A CA 2.264 54.350 52.037 0.082 0.000 0.640 131 A CB -0.673 18.445 19.000 0.196 0.000 0.811 131 A HN 0.889 nan 8.150 nan 0.000 0.451 132 A N -1.525 121.394 122.820 0.165 0.000 2.121 132 A HA 0.035 4.354 4.320 -0.000 0.000 0.218 132 A C 1.103 178.772 177.584 0.141 0.000 1.154 132 A CA 0.742 52.871 52.037 0.153 0.000 0.679 132 A CB -0.258 18.830 19.000 0.148 0.000 0.795 132 A HN 0.384 nan 8.150 nan 0.000 0.458 133 R N 0.176 120.776 120.500 0.166 0.000 3.158 133 R HA -0.157 4.183 4.340 -0.000 0.000 0.244 133 R C -0.937 175.468 176.300 0.175 0.000 0.900 133 R CA 1.112 57.301 56.100 0.147 0.000 0.618 133 R CB -2.187 28.146 30.300 0.055 0.000 1.061 133 R HN 0.651 nan 8.270 nan 0.000 0.471 134 D N -0.701 119.835 120.400 0.227 0.000 2.328 134 D HA 0.102 4.742 4.640 -0.000 0.000 0.243 134 D C 1.200 177.425 176.300 -0.126 0.000 1.324 134 D CA 0.406 54.433 54.000 0.046 0.000 0.966 134 D CB 0.774 41.583 40.800 0.015 0.000 1.324 134 D HN 0.182 nan 8.370 nan 0.000 0.549 135 T N 0.284 114.790 114.554 -0.080 0.000 2.788 135 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 135 T C 1.399 175.968 174.700 -0.218 0.000 1.044 135 T CA 1.518 63.498 62.100 -0.199 0.000 1.139 135 T CB 0.008 68.847 68.868 -0.050 0.000 0.867 135 T HN 0.227 nan 8.240 nan 0.000 0.454 136 D N 0.686 121.007 120.400 -0.133 0.000 2.144 136 D HA -0.055 4.585 4.640 -0.000 0.000 0.200 136 D C 1.976 178.190 176.300 -0.143 0.000 0.978 136 D CA 0.708 54.639 54.000 -0.115 0.000 0.833 136 D CB -0.426 40.333 40.800 -0.067 0.000 0.961 136 D HN 0.336 nan 8.370 nan 0.000 0.470 137 L N 0.280 121.412 121.223 -0.152 0.000 2.017 137 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 137 L C 1.969 178.700 176.870 -0.232 0.000 1.073 137 L CA 1.414 56.163 54.840 -0.152 0.000 0.745 137 L CB -0.539 41.455 42.059 -0.109 0.000 0.894 137 L HN 0.118 nan 8.230 nan 0.000 0.432 138 I N 0.054 120.414 120.570 -0.351 0.000 2.163 138 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 138 I C 2.545 178.477 176.117 -0.308 0.000 1.085 138 I CA 1.612 62.663 61.300 -0.416 0.000 1.347 138 I CB -1.289 36.281 38.000 -0.717 0.000 1.044 138 I HN 0.445 nan 8.210 nan 0.000 0.408 139 K N 0.783 121.029 120.400 -0.257 0.000 2.026 139 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 139 K C 2.324 178.802 176.600 -0.204 0.000 1.048 139 K CA 1.293 57.462 56.287 -0.197 0.000 0.929 139 K CB -0.010 32.402 32.500 -0.147 0.000 0.713 139 K HN 0.186 nan 8.250 nan 0.000 0.439 140 R N 0.350 120.733 120.500 -0.194 0.000 2.091 140 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 140 R C 2.371 178.501 176.300 -0.285 0.000 1.136 140 R CA 1.654 57.639 56.100 -0.192 0.000 0.959 140 R CB -0.373 29.847 30.300 -0.133 0.000 0.856 140 R HN 0.293 nan 8.270 nan 0.000 0.437 141 I N -0.081 120.275 120.570 -0.358 0.000 2.226 141 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 141 I C 2.552 178.319 176.117 -0.583 0.000 1.100 141 I CA 1.440 62.356 61.300 -0.640 0.000 1.374 141 I CB -0.709 36.873 38.000 -0.697 0.000 1.057 141 I HN 0.329 nan 8.210 nan 0.000 0.413 142 G N 0.111 108.683 108.800 -0.380 0.000 2.440 142 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.218 142 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.218 142 G C 1.557 176.285 174.900 -0.287 0.000 1.154 142 G CA 0.608 45.535 45.100 -0.288 0.000 0.767 142 G HN 0.415 nan 8.290 nan 0.000 0.552 143 Q N 0.100 119.730 119.800 -0.284 0.000 2.079 143 Q HA 0.075 4.415 4.340 -0.000 0.000 0.200 143 Q C 3.021 178.790 176.000 -0.385 0.000 0.974 143 Q CA 1.247 56.882 55.803 -0.282 0.000 0.840 143 Q CB -0.251 28.346 28.738 -0.235 0.000 0.898 143 Q HN 0.477 nan 8.270 nan 0.000 0.430 144 A N 0.380 122.915 122.820 -0.474 0.000 1.898 144 A HA -0.160 4.159 4.320 -0.000 0.000 0.216 144 A C 2.236 179.505 177.584 -0.525 0.000 1.181 144 A CA 1.759 53.346 52.037 -0.749 0.000 0.620 144 A CB -0.847 17.683 19.000 -0.783 0.000 0.819 144 A HN 0.296 nan 8.150 nan 0.000 0.442 145 T N 0.369 114.683 114.554 -0.400 0.000 2.708 145 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 145 T C 2.238 176.793 174.700 -0.242 0.000 1.037 145 T CA 1.686 63.631 62.100 -0.259 0.000 1.146 145 T CB -0.485 68.208 68.868 -0.292 0.000 0.865 145 T HN 0.603 nan 8.240 nan 0.000 0.435 146 A N 1.777 124.445 122.820 -0.253 0.000 1.908 146 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 146 A C 2.253 179.726 177.584 -0.185 0.000 1.181 146 A CA 1.690 53.608 52.037 -0.199 0.000 0.627 146 A CB -0.461 18.442 19.000 -0.163 0.000 0.818 146 A HN 0.472 nan 8.150 nan 0.000 0.445 147 K N -0.380 119.837 120.400 -0.305 0.000 2.026 147 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 147 K C 1.975 178.600 176.600 0.042 0.000 1.048 147 K CA 1.574 57.636 56.287 -0.375 0.000 0.929 147 K CB -0.237 31.748 32.500 -0.859 0.000 0.713 147 K HN 0.613 nan 8.250 nan 0.000 0.439 148 E N 0.592 120.805 120.200 0.022 0.000 2.072 148 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 148 E C 2.174 178.820 176.600 0.076 0.000 0.985 148 E CA 1.088 57.574 56.400 0.143 0.000 0.801 148 E CB -0.089 29.704 29.700 0.155 0.000 0.750 148 E HN 0.060 nan 8.360 nan 0.000 0.452 149 V N 1.739 121.540 119.914 -0.188 0.000 2.343 149 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 149 V C 2.455 178.473 176.094 -0.128 0.000 1.051 149 V CA 1.795 63.816 62.300 -0.464 0.000 1.036 149 V CB -0.789 30.687 31.823 -0.578 0.000 0.654 149 V HN 0.272 nan 8.190 nan 0.000 0.451 150 A N 0.278 123.120 122.820 0.036 0.000 1.883 150 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 150 A C 2.443 180.167 177.584 0.234 0.000 1.186 150 A CA 2.164 54.318 52.037 0.196 0.000 0.624 150 A CB -0.943 18.263 19.000 0.343 0.000 0.822 150 A HN 0.614 nan 8.150 nan 0.000 0.444 151 A N -0.445 122.554 122.820 0.298 0.000 2.084 151 A HA -0.127 4.193 4.320 -0.000 0.000 0.221 151 A C 2.197 179.844 177.584 0.105 0.000 1.161 151 A CA 2.426 54.599 52.037 0.226 0.000 0.653 151 A CB -1.177 17.985 19.000 0.270 0.000 0.802 151 A HN 0.861 nan 8.150 nan 0.000 0.457 152 T N -5.080 109.493 114.554 0.032 0.000 3.060 152 T HA 0.420 4.770 4.350 -0.000 0.000 0.249 152 T C 1.328 176.117 174.700 0.148 0.000 1.079 152 T CA 1.005 63.077 62.100 -0.046 0.000 1.013 152 T CB 0.226 68.790 68.868 -0.507 0.000 0.975 152 T HN 1.691 nan 8.240 nan 0.000 0.518 153 G N 1.334 110.228 108.800 0.157 0.000 2.141 153 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.242 153 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.242 153 G C -0.090 174.943 174.900 0.222 0.000 0.982 153 G CA -0.097 45.148 45.100 0.242 0.000 0.662 153 G HN 0.635 nan 8.290 nan 0.000 0.527 154 I N 0.289 120.878 120.570 0.033 0.000 2.353 154 I HA 0.417 4.587 4.170 -0.000 0.000 0.293 154 I C 1.115 177.174 176.117 -0.096 0.000 0.992 154 I CA -0.714 60.532 61.300 -0.090 0.000 1.268 154 I CB 1.527 39.283 38.000 -0.407 0.000 1.387 154 I HN 0.060 nan 8.210 nan 0.000 0.478 155 E N 4.079 124.187 120.200 -0.153 0.000 2.415 155 E HA 0.008 4.358 4.350 -0.000 0.000 0.197 155 E C -0.771 175.651 176.600 -0.296 0.000 1.007 155 E CA 0.293 56.419 56.400 -0.456 0.000 0.890 155 E CB 0.374 29.462 29.700 -1.020 0.000 0.891 155 E HN 0.515 nan 8.360 nan 0.000 0.496 156 W N 1.612 122.715 121.300 -0.329 0.000 2.715 156 W HA 0.475 5.135 4.660 -0.000 0.000 0.331 156 W C -1.203 175.158 176.519 -0.263 0.000 1.031 156 W CA -1.730 55.492 57.345 -0.205 0.000 1.237 156 W CB 1.155 30.592 29.460 -0.038 0.000 1.378 156 W HN -0.172 nan 8.180 nan 0.000 0.454 157 S N 4.902 120.631 115.700 0.049 0.000 2.500 157 S HA 0.654 5.124 4.470 -0.000 0.000 0.301 157 S C -0.928 173.636 174.600 -0.060 0.000 1.092 157 S CA -0.691 57.344 58.200 -0.274 0.000 1.030 157 S CB 0.881 63.943 63.200 -0.230 0.000 1.031 157 S HN 0.325 nan 8.310 nan 0.000 0.483 158 F N 2.518 122.356 119.950 -0.187 0.000 2.423 158 F HA 0.637 5.164 4.527 0.001 0.000 0.356 158 F C 0.848 176.568 175.800 -0.133 0.000 1.170 158 F CA -0.359 57.551 58.000 -0.149 0.000 1.163 158 F CB 0.207 39.081 39.000 -0.210 0.000 1.318 158 F HN 0.959 nan 8.300 nan 0.000 0.569 159 A N 4.607 127.474 122.820 0.078 0.000 2.590 159 A HA 0.630 4.950 4.320 -0.000 0.000 0.296 159 A C -3.073 174.517 177.584 0.010 0.000 1.050 159 A CA -1.389 50.650 52.037 0.002 0.000 0.697 159 A CB 1.666 20.648 19.000 -0.031 0.000 1.277 159 A HN 0.262 nan 8.150 nan 0.000 0.411 160 P HA 0.440 nan 4.420 nan 0.000 0.279 160 P C -0.303 176.955 177.300 -0.070 0.000 1.252 160 P CA 0.028 63.128 63.100 -0.000 0.000 0.811 160 P CB 0.941 32.700 31.700 0.099 0.000 1.035 161 T N 0.904 115.397 114.554 -0.101 0.000 2.794 161 T HA 0.246 4.596 4.350 -0.000 0.000 0.296 161 T C 0.960 175.611 174.700 -0.081 0.000 0.949 161 T CA -0.164 61.873 62.100 -0.106 0.000 1.101 161 T CB 0.102 68.910 68.868 -0.101 0.000 0.905 161 T HN 0.331 nan 8.240 nan 0.000 0.516 162 V N 0.588 120.461 119.914 -0.068 0.000 3.070 162 V HA 0.689 4.809 4.120 -0.000 0.000 0.345 162 V C 0.839 176.939 176.094 0.010 0.000 1.403 162 V CA -0.824 61.438 62.300 -0.063 0.000 1.155 162 V CB -0.745 30.901 31.823 -0.295 0.000 1.140 162 V HN 0.889 nan 8.190 nan 0.000 0.505 163 A N 0.393 123.282 122.820 0.115 0.000 2.448 163 A HA 0.579 4.899 4.320 -0.000 0.000 0.239 163 A C 0.092 177.775 177.584 0.164 0.000 1.080 163 A CA 0.270 52.427 52.037 0.199 0.000 0.779 163 A CB 0.596 19.815 19.000 0.364 0.000 1.026 163 A HN 0.912 nan 8.150 nan 0.000 0.499 164 V N 2.953 122.961 119.914 0.157 0.000 2.340 164 V HA 0.224 4.344 4.120 -0.000 0.000 0.277 164 V C -0.252 175.919 176.094 0.128 0.000 1.017 164 V CA -0.477 61.857 62.300 0.058 0.000 0.820 164 V CB 1.045 32.797 31.823 -0.118 0.000 1.028 164 V HN 0.625 nan 8.190 nan 0.000 0.436 165 V N 6.570 126.635 119.914 0.251 0.000 2.488 165 V HA 0.343 4.463 4.120 -0.000 0.000 0.277 165 V C 1.187 177.453 176.094 0.286 0.000 1.046 165 V CA -0.257 62.265 62.300 0.369 0.000 0.986 165 V CB 1.233 33.441 31.823 0.643 0.000 0.989 165 V HN 0.789 nan 8.190 nan 0.000 0.475 166 R N 1.777 122.410 120.500 0.221 0.000 2.316 166 R HA 0.249 4.589 4.340 -0.000 0.000 0.201 166 R C 0.113 176.534 176.300 0.202 0.000 0.888 166 R CA 0.042 56.245 56.100 0.171 0.000 1.041 166 R CB 0.386 30.763 30.300 0.128 0.000 1.115 166 R HN 0.673 nan 8.270 nan 0.000 0.559 167 D N 1.196 121.725 120.400 0.214 0.000 2.471 167 D HA 0.119 4.758 4.640 -0.000 0.000 0.245 167 D C -0.273 176.191 176.300 0.273 0.000 1.116 167 D CA -0.246 53.888 54.000 0.224 0.000 0.853 167 D CB 1.552 42.444 40.800 0.152 0.000 1.123 167 D HN -0.213 nan 8.370 nan 0.000 0.540 168 D N 2.378 122.939 120.400 0.270 0.000 2.309 168 D HA -0.089 4.551 4.640 -0.000 0.000 0.212 168 D C 1.685 178.107 176.300 0.204 0.000 0.968 168 D CA 0.568 54.703 54.000 0.226 0.000 0.882 168 D CB 0.250 41.152 40.800 0.171 0.000 0.918 168 D HN 0.431 nan 8.370 nan 0.000 0.503 169 R N -0.498 120.118 120.500 0.193 0.000 2.249 169 R HA -0.117 4.222 4.340 -0.000 0.000 0.230 169 R C 0.508 176.909 176.300 0.167 0.000 1.121 169 R CA 0.026 56.195 56.100 0.116 0.000 0.997 169 R CB -0.119 30.180 30.300 -0.001 0.000 0.867 169 R HN 0.173 nan 8.270 nan 0.000 0.465 170 W N 1.302 122.614 121.300 0.021 0.000 2.322 170 W HA 0.036 4.696 4.660 0.000 0.000 0.328 170 W C 1.178 177.717 176.519 0.034 0.000 1.395 170 W CA -0.455 56.906 57.345 0.026 0.000 1.267 170 W CB 0.348 29.840 29.460 0.052 0.000 1.259 170 W HN 0.060 nan 8.180 nan 0.000 0.560 171 G N 4.911 113.603 108.800 -0.179 0.000 2.625 171 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.214 171 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.214 171 G C 1.122 175.774 174.900 -0.413 0.000 1.132 171 G CA 0.192 45.151 45.100 -0.236 0.000 0.782 171 G HN 0.553 nan 8.290 nan 0.000 0.538 172 R N -0.348 119.401 120.500 -1.251 0.000 2.577 172 R HA 0.156 4.496 4.340 -0.000 0.000 0.344 172 R C 1.616 177.214 176.300 -1.170 0.000 1.037 172 R CA 0.063 55.291 56.100 -1.454 0.000 1.102 172 R CB 0.160 29.382 30.300 -1.796 0.000 1.313 172 R HN 0.090 nan 8.270 nan 0.000 0.561 173 T N 0.947 115.167 114.554 -0.558 0.000 2.759 173 T HA -0.217 4.133 4.350 -0.000 0.000 0.269 173 T C 1.515 176.080 174.700 -0.226 0.000 1.042 173 T CA 1.733 63.749 62.100 -0.141 0.000 1.140 173 T CB -0.278 68.577 68.868 -0.022 0.000 0.864 173 T HN 0.523 nan 8.240 nan 0.000 0.455 174 Y N 1.534 121.690 120.300 -0.239 0.000 2.421 174 Y HA 0.140 4.690 4.550 0.000 0.000 0.292 174 Y C 1.793 177.555 175.900 -0.230 0.000 1.136 174 Y CA 0.427 58.373 58.100 -0.256 0.000 1.255 174 Y CB -0.856 37.413 38.460 -0.319 0.000 0.991 174 Y HN 0.227 nan 8.280 nan 0.000 0.552 175 E N 0.601 120.479 120.200 -0.537 0.000 2.478 175 E HA -0.031 4.319 4.350 -0.000 0.000 0.198 175 E C 0.420 176.892 176.600 -0.212 0.000 1.046 175 E CA 0.513 56.701 56.400 -0.353 0.000 0.870 175 E CB 0.090 29.523 29.700 -0.445 0.000 0.818 175 E HN 0.294 nan 8.360 nan 0.000 0.527 176 S N -1.070 114.585 115.700 -0.076 0.000 2.525 176 S HA 0.184 4.654 4.470 -0.000 0.000 0.290 176 S C 0.247 174.910 174.600 0.104 0.000 1.152 176 S CA -0.703 57.528 58.200 0.052 0.000 1.072 176 S CB 0.539 63.937 63.200 0.331 0.000 1.027 176 S HN 0.065 nan 8.310 nan 0.000 0.500 177 Y N 2.475 122.880 120.300 0.175 0.000 2.373 177 Y HA 0.266 4.816 4.550 -0.000 0.000 0.293 177 Y C 1.514 177.444 175.900 0.051 0.000 1.129 177 Y CA 0.596 58.765 58.100 0.114 0.000 1.226 177 Y CB 0.136 38.602 38.460 0.009 0.000 1.000 177 Y HN 0.564 nan 8.280 nan 0.000 0.549 178 S N -1.464 114.251 115.700 0.024 0.000 2.597 178 S HA 0.143 4.613 4.470 -0.000 0.000 0.274 178 S C 0.148 174.298 174.600 -0.750 0.000 1.132 178 S CA -0.433 57.416 58.200 -0.585 0.000 0.835 178 S CB 0.558 63.626 63.200 -0.219 0.000 1.092 178 S HN 0.381 nan 8.310 nan 0.000 0.457 179 E N 0.811 120.411 120.200 -1.001 0.000 2.371 179 E HA 0.063 4.413 4.350 -0.000 0.000 0.194 179 E C -0.112 176.308 176.600 -0.301 0.000 1.012 179 E CA 0.193 56.318 56.400 -0.459 0.000 0.860 179 E CB -0.011 29.506 29.700 -0.304 0.000 0.811 179 E HN 0.394 nan 8.360 nan 0.000 0.502 180 D N 1.951 122.163 120.400 -0.312 0.000 2.317 180 D HA 0.096 4.735 4.640 -0.000 0.000 0.234 180 D C -1.449 174.726 176.300 -0.209 0.000 1.112 180 D CA -2.917 50.892 54.000 -0.317 0.000 0.840 180 D CB 1.648 42.167 40.800 -0.468 0.000 1.078 180 D HN -0.210 nan 8.370 nan 0.000 0.486 181 P HA -0.171 nan 4.420 nan 0.000 0.216 181 P C 0.574 177.821 177.300 -0.088 0.000 1.153 181 P CA 1.001 64.020 63.100 -0.134 0.000 0.858 181 P CB 0.444 32.067 31.700 -0.129 0.000 0.789 182 D N -0.029 120.315 120.400 -0.093 0.000 2.104 182 D HA -0.142 4.497 4.640 -0.000 0.000 0.194 182 D C 2.189 178.450 176.300 -0.065 0.000 0.994 182 D CA 0.765 54.731 54.000 -0.057 0.000 0.830 182 D CB -1.072 39.691 40.800 -0.063 0.000 0.959 182 D HN 0.145 nan 8.370 nan 0.000 0.452 183 L N 0.597 121.759 121.223 -0.102 0.000 2.012 183 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 183 L C 2.319 179.047 176.870 -0.237 0.000 1.073 183 L CA 1.033 55.752 54.840 -0.201 0.000 0.748 183 L CB -0.091 41.830 42.059 -0.229 0.000 0.891 183 L HN -0.067 nan 8.230 nan 0.000 0.431 184 V N -0.090 119.748 119.914 -0.127 0.000 2.343 184 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 184 V C 2.492 178.586 176.094 -0.001 0.000 1.051 184 V CA 2.175 64.463 62.300 -0.019 0.000 1.036 184 V CB -0.643 31.198 31.823 0.029 0.000 0.654 184 V HN 0.474 nan 8.190 nan 0.000 0.451 185 K N 0.207 120.602 120.400 -0.009 0.000 2.032 185 K HA -0.204 4.115 4.320 -0.000 0.000 0.209 185 K C 2.405 179.032 176.600 0.045 0.000 1.048 185 K CA 1.628 57.935 56.287 0.033 0.000 0.927 185 K CB -0.171 32.374 32.500 0.075 0.000 0.712 185 K HN 0.319 nan 8.250 nan 0.000 0.441 186 R N -0.927 119.594 120.500 0.035 0.000 2.091 186 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 186 R C 2.262 178.646 176.300 0.141 0.000 1.136 186 R CA 1.702 57.847 56.100 0.075 0.000 0.959 186 R CB -0.341 30.004 30.300 0.074 0.000 0.856 186 R HN 0.280 nan 8.270 nan 0.000 0.437 187 Y N -0.117 120.077 120.300 -0.176 0.000 2.314 187 Y HA 0.020 4.570 4.550 0.000 0.000 0.293 187 Y C 2.312 178.088 175.900 -0.207 0.000 1.129 187 Y CA 0.411 58.325 58.100 -0.310 0.000 1.201 187 Y CB -0.537 37.493 38.460 -0.716 0.000 0.999 187 Y HN 0.082 nan 8.280 nan 0.000 0.541 188 A N -0.525 122.322 122.820 0.046 0.000 1.929 188 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 188 A C 2.576 180.165 177.584 0.007 0.000 1.176 188 A CA 1.512 53.570 52.037 0.035 0.000 0.628 188 A CB -1.216 17.783 19.000 -0.001 0.000 0.816 188 A HN 0.408 nan 8.150 nan 0.000 0.444 189 G N -0.635 108.172 108.800 0.011 0.000 2.448 189 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.218 189 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.218 189 G C 1.332 176.226 174.900 -0.009 0.000 1.135 189 G CA 0.772 45.882 45.100 0.016 0.000 0.784 189 G HN 0.413 nan 8.290 nan 0.000 0.543 190 E N 0.130 120.303 120.200 -0.046 0.000 2.077 190 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 190 E C 2.354 178.891 176.600 -0.105 0.000 0.989 190 E CA 0.837 57.181 56.400 -0.094 0.000 0.800 190 E CB -0.386 29.211 29.700 -0.172 0.000 0.746 190 E HN 0.381 nan 8.360 nan 0.000 0.452 191 M N 0.479 120.017 119.600 -0.102 0.000 2.086 191 M HA -0.103 4.377 4.480 -0.000 0.000 0.261 191 M C 2.171 178.443 176.300 -0.047 0.000 1.067 191 M CA 1.085 56.335 55.300 -0.083 0.000 1.116 191 M CB -0.452 32.137 32.600 -0.019 0.000 1.348 191 M HN -0.086 nan 8.290 nan 0.000 0.407 192 V N 0.024 119.932 119.914 -0.010 0.000 2.343 192 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 192 V C 2.356 178.469 176.094 0.031 0.000 1.051 192 V CA 2.262 64.577 62.300 0.024 0.000 1.036 192 V CB -1.550 30.306 31.823 0.056 0.000 0.654 192 V HN 0.733 nan 8.190 nan 0.000 0.451 193 T N -2.037 112.530 114.554 0.022 0.000 3.023 193 T HA 0.000 4.350 4.350 -0.000 0.000 0.266 193 T C 1.935 176.623 174.700 -0.020 0.000 1.093 193 T CA 1.090 63.208 62.100 0.030 0.000 1.129 193 T CB -0.416 68.470 68.868 0.031 0.000 0.899 193 T HN 0.458 nan 8.240 nan 0.000 0.491 194 G N 1.567 110.330 108.800 -0.061 0.000 2.422 194 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.218 194 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.218 194 G C 1.440 176.274 174.900 -0.111 0.000 1.146 194 G CA 0.689 45.725 45.100 -0.107 0.000 0.769 194 G HN 0.561 nan 8.290 nan 0.000 0.547 195 I N -0.424 120.095 120.570 -0.084 0.000 2.339 195 I HA -0.049 4.121 4.170 -0.000 0.000 0.245 195 I C 2.834 178.921 176.117 -0.049 0.000 1.096 195 I CA 0.972 62.226 61.300 -0.076 0.000 1.408 195 I CB -0.054 37.916 38.000 -0.051 0.000 1.092 195 I HN 0.139 nan 8.210 nan 0.000 0.423 196 Q N 0.471 120.251 119.800 -0.034 0.000 2.396 196 Q HA 0.256 4.596 4.340 -0.000 0.000 0.209 196 Q C 0.662 176.606 176.000 -0.093 0.000 0.906 196 Q CA 0.418 56.174 55.803 -0.079 0.000 0.927 196 Q CB 0.840 29.525 28.738 -0.088 0.000 1.069 196 Q HN 0.536 nan 8.270 nan 0.000 0.523 197 G N 1.614 110.405 108.800 -0.015 0.000 2.733 197 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.686 197 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.686 197 G C -1.183 173.812 174.900 0.158 0.000 1.373 197 G CA -0.738 44.382 45.100 0.034 0.000 0.838 197 G HN 0.121 nan 8.290 nan 0.000 0.588 198 D N -0.252 120.230 120.400 0.137 0.000 2.382 198 D HA 0.305 4.945 4.640 -0.000 0.000 0.245 198 D C 1.249 177.677 176.300 0.214 0.000 1.120 198 D CA -0.013 54.076 54.000 0.148 0.000 0.890 198 D CB 1.518 42.360 40.800 0.069 0.000 1.201 198 D HN 0.409 nan 8.370 nan 0.000 0.433 199 V N 2.168 122.154 119.914 0.120 0.000 2.584 199 V HA 0.354 4.474 4.120 -0.000 0.000 0.303 199 V C 1.226 177.301 176.094 -0.032 0.000 1.035 199 V CA 1.156 63.395 62.300 -0.101 0.000 1.172 199 V CB 0.024 31.711 31.823 -0.226 0.000 0.896 199 V HN 0.909 nan 8.190 nan 0.000 0.486 200 G N 3.921 112.709 108.800 -0.019 0.000 2.278 200 G HA2 0.334 4.293 3.960 -0.000 0.000 0.265 200 G HA3 0.334 4.293 3.960 -0.000 0.000 0.265 200 G C 0.444 175.390 174.900 0.077 0.000 1.329 200 G CA -0.206 44.907 45.100 0.022 0.000 1.017 200 G HN 1.065 nan 8.290 nan 0.000 0.472 201 A N -0.837 122.016 122.820 0.056 0.000 2.121 201 A HA 0.211 4.530 4.320 -0.000 0.000 0.218 201 A C 1.730 179.353 177.584 0.065 0.000 1.154 201 A CA 2.606 54.676 52.037 0.054 0.000 0.679 201 A CB -0.354 18.663 19.000 0.030 0.000 0.795 201 A HN 0.695 nan 8.150 nan 0.000 0.458 202 D N -2.110 118.338 120.400 0.081 0.000 2.346 202 D HA 0.084 4.724 4.640 -0.000 0.000 0.206 202 D C 0.395 176.749 176.300 0.090 0.000 1.001 202 D CA -0.369 53.669 54.000 0.062 0.000 0.871 202 D CB -0.132 40.696 40.800 0.047 0.000 0.943 202 D HN 0.335 nan 8.370 nan 0.000 0.518 203 F N 1.717 121.663 119.950 -0.007 0.000 2.580 203 F HA -0.043 4.484 4.527 0.000 0.000 0.398 203 F C 0.639 176.441 175.800 0.003 0.000 1.023 203 F CA 0.188 58.192 58.000 0.007 0.000 1.188 203 F CB 0.139 39.147 39.000 0.014 0.000 1.005 203 F HN -0.006 nan 8.300 nan 0.000 0.546 204 L N 3.834 124.754 121.223 -0.506 0.000 3.781 204 L HA -0.340 4.000 4.340 -0.000 0.000 0.426 204 L C -0.226 176.466 176.870 -0.297 0.000 1.197 204 L CA 0.374 54.994 54.840 -0.366 0.000 0.907 204 L CB -1.705 40.119 42.059 -0.391 0.000 1.812 204 L HN 0.524 nan 8.230 nan 0.000 0.956 205 K N 0.613 120.900 120.400 -0.188 0.000 2.123 205 K HA 0.694 5.014 4.320 -0.000 0.000 0.259 205 K C 1.039 177.552 176.600 -0.145 0.000 0.960 205 K CA 0.317 56.496 56.287 -0.180 0.000 0.872 205 K CB 1.803 34.251 32.500 -0.088 0.000 1.079 205 K HN 0.160 nan 8.250 nan 0.000 0.440 206 G N 1.389 110.099 108.800 -0.151 0.000 2.583 206 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.292 206 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.292 206 G C 0.861 175.778 174.900 0.028 0.000 1.203 206 G CA 0.688 45.766 45.100 -0.037 0.000 0.987 206 G HN 0.592 nan 8.290 nan 0.000 0.554 207 S N 0.911 116.671 115.700 0.100 0.000 2.507 207 S HA -0.002 4.468 4.470 -0.000 0.000 0.235 207 S C 0.963 175.615 174.600 0.088 0.000 0.988 207 S CA 1.135 59.417 58.200 0.137 0.000 0.944 207 S CB -0.323 62.887 63.200 0.018 0.000 0.762 207 S HN 0.734 nan 8.310 nan 0.000 0.526 208 N N 3.065 121.791 118.700 0.044 0.000 2.356 208 N HA 0.120 4.860 4.740 -0.000 0.000 0.252 208 N C 0.203 175.865 175.510 0.253 0.000 1.241 208 N CA 0.418 53.500 53.050 0.053 0.000 0.861 208 N CB 0.237 38.708 38.487 -0.026 0.000 1.075 208 N HN 0.340 nan 8.380 nan 0.000 0.461 209 R N 1.298 121.896 120.500 0.164 0.000 2.782 209 R HA 0.484 4.824 4.340 -0.000 0.000 0.258 209 R C 0.313 176.674 176.300 0.102 0.000 1.055 209 R CA -0.902 55.298 56.100 0.166 0.000 1.065 209 R CB 0.880 31.192 30.300 0.020 0.000 1.172 209 R HN 0.486 nan 8.270 nan 0.000 0.510 210 I N 1.708 122.269 120.570 -0.014 0.000 2.517 210 I HA 0.098 4.268 4.170 -0.000 0.000 0.285 210 I C 0.738 176.962 176.117 0.177 0.000 1.106 210 I CA 0.034 61.343 61.300 0.014 0.000 1.402 210 I CB 0.819 38.724 38.000 -0.158 0.000 1.399 210 I HN 0.522 nan 8.210 nan 0.000 0.535 211 A N 5.160 128.067 122.820 0.145 0.000 2.269 211 A HA 0.821 5.141 4.320 -0.000 0.000 0.319 211 A C -0.187 177.542 177.584 0.242 0.000 1.110 211 A CA -0.362 51.786 52.037 0.185 0.000 0.847 211 A CB 1.026 20.083 19.000 0.095 0.000 1.161 211 A HN 0.640 nan 8.150 nan 0.000 0.497 212 T N 1.121 115.820 114.554 0.241 0.000 3.031 212 T HA 0.555 4.905 4.350 -0.000 0.000 0.305 212 T C -0.417 174.317 174.700 0.056 0.000 0.985 212 T CA 0.114 62.328 62.100 0.190 0.000 1.008 212 T CB 1.250 70.317 68.868 0.332 0.000 1.005 212 T HN 1.122 nan 8.240 nan 0.000 0.444 213 A N 4.516 127.340 122.820 0.006 0.000 2.310 213 A HA 0.610 4.930 4.320 -0.000 0.000 0.300 213 A C 0.370 177.946 177.584 -0.013 0.000 1.269 213 A CA -0.511 51.494 52.037 -0.052 0.000 0.909 213 A CB 0.011 18.965 19.000 -0.077 0.000 1.144 213 A HN 0.779 nan 8.150 nan 0.000 0.540 214 K N 2.587 122.904 120.400 -0.140 0.000 2.328 214 K HA 0.720 5.040 4.320 -0.000 0.000 0.246 214 K C -1.412 175.148 176.600 -0.068 0.000 0.955 214 K CA -0.843 55.300 56.287 -0.239 0.000 0.817 214 K CB 1.411 33.399 32.500 -0.854 0.000 1.208 214 K HN 0.671 nan 8.250 nan 0.000 0.432 215 H N 0.347 119.530 119.070 0.189 0.000 2.569 215 H HA 0.360 4.916 4.556 -0.000 0.000 0.357 215 H C -1.676 173.842 175.328 0.316 0.000 1.153 215 H CA -0.681 55.500 56.048 0.222 0.000 1.193 215 H CB 1.336 31.187 29.762 0.149 0.000 1.602 215 H HN 0.526 nan 8.280 nan 0.000 0.523 216 F N 2.930 122.955 119.950 0.125 0.000 2.391 216 F HA 0.506 5.033 4.527 -0.000 0.000 0.359 216 F C -0.766 174.947 175.800 -0.146 0.000 1.122 216 F CA -0.416 57.472 58.000 -0.188 0.000 1.120 216 F CB 0.433 39.070 39.000 -0.605 0.000 1.142 216 F HN 0.328 nan 8.300 nan 0.000 0.483 217 V N 5.261 124.897 119.914 -0.463 0.000 3.048 217 V HA 0.670 4.790 4.120 -0.000 0.000 0.303 217 V C -0.028 175.827 176.094 -0.398 0.000 1.214 217 V CA 0.042 61.944 62.300 -0.664 0.000 0.984 217 V CB 1.736 32.597 31.823 -1.604 0.000 1.054 217 V HN 1.070 nan 8.190 nan 0.000 0.430 218 G N 4.096 112.712 108.800 -0.306 0.000 2.132 218 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.228 218 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.228 218 G C 0.276 174.925 174.900 -0.419 0.000 1.000 218 G CA 0.733 45.530 45.100 -0.506 0.000 0.693 218 G HN 1.219 nan 8.290 nan 0.000 0.515 219 D N 0.235 120.486 120.400 -0.249 0.000 2.219 219 D HA 0.038 4.678 4.640 -0.000 0.000 0.205 219 D C 2.043 177.853 176.300 -0.816 0.000 0.970 219 D CA 1.279 55.060 54.000 -0.365 0.000 0.851 219 D CB -0.981 39.746 40.800 -0.122 0.000 0.943 219 D HN 0.727 nan 8.370 nan 0.000 0.488 220 G N -0.285 108.230 108.800 -0.475 0.000 3.124 220 G HA2 0.277 4.237 3.960 -0.000 0.000 0.212 220 G HA3 0.277 4.237 3.960 -0.000 0.000 0.212 220 G C 1.052 175.853 174.900 -0.166 0.000 1.181 220 G CA 0.173 45.040 45.100 -0.389 0.000 0.803 220 G HN 0.469 nan 8.290 nan 0.000 0.529 221 G N 0.244 108.865 108.800 -0.298 0.000 3.839 221 G HA2 0.307 4.267 3.960 -0.000 0.000 0.286 221 G HA3 0.307 4.267 3.960 -0.000 0.000 0.286 221 G C 0.619 175.406 174.900 -0.187 0.000 1.005 221 G CA 0.360 45.377 45.100 -0.139 0.000 0.824 221 G HN 0.426 nan 8.290 nan 0.000 0.489 222 T N -0.800 113.586 114.554 -0.280 0.000 2.926 222 T HA 0.307 4.657 4.350 -0.000 0.000 0.307 222 T C 0.084 174.729 174.700 -0.091 0.000 1.059 222 T CA -0.459 61.531 62.100 -0.183 0.000 1.122 222 T CB 1.604 70.334 68.868 -0.231 0.000 0.972 222 T HN 0.017 nan 8.240 nan 0.000 0.545 223 E N 1.668 121.851 120.200 -0.029 0.000 2.502 223 E HA -0.014 4.336 4.350 -0.000 0.000 0.261 223 E C 0.945 177.538 176.600 -0.011 0.000 0.974 223 E CA 0.365 56.771 56.400 0.009 0.000 0.936 223 E CB 0.116 29.850 29.700 0.056 0.000 0.926 223 E HN 0.752 nan 8.360 nan 0.000 0.459 224 R N 1.349 121.840 120.500 -0.015 0.000 3.741 224 R HA -0.273 4.067 4.340 -0.000 0.000 0.292 224 R C 1.055 177.318 176.300 -0.063 0.000 1.176 224 R CA 0.633 56.690 56.100 -0.072 0.000 0.794 224 R CB -2.075 28.154 30.300 -0.118 0.000 1.213 224 R HN 0.945 nan 8.270 nan 0.000 0.494 225 G N -0.736 108.051 108.800 -0.021 0.000 2.212 225 G HA2 -0.354 3.605 3.960 -0.000 0.000 0.267 225 G HA3 -0.354 3.605 3.960 -0.000 0.000 0.267 225 G C 0.312 175.258 174.900 0.077 0.000 1.002 225 G CA 0.227 45.346 45.100 0.031 0.000 0.729 225 G HN 0.303 nan 8.290 nan 0.000 0.517 226 V N 0.753 120.667 119.914 0.000 0.000 2.540 226 V HA 0.197 4.317 4.120 -0.000 0.000 0.297 226 V C 0.916 177.067 176.094 0.095 0.000 1.024 226 V CA 0.193 62.514 62.300 0.035 0.000 1.105 226 V CB 1.142 32.952 31.823 -0.021 0.000 0.938 226 V HN 0.459 nan 8.190 nan 0.000 0.482 227 D N 4.565 125.134 120.400 0.283 0.000 2.417 227 D HA 0.220 4.860 4.640 -0.000 0.000 0.250 227 D C 0.896 177.296 176.300 0.166 0.000 1.166 227 D CA 0.165 54.428 54.000 0.438 0.000 0.881 227 D CB 0.125 41.252 40.800 0.545 0.000 1.164 227 D HN 0.554 nan 8.370 nan 0.000 0.467 228 R N 1.512 122.090 120.500 0.131 0.000 3.776 228 R HA -0.133 4.207 4.340 -0.000 0.000 0.312 228 R C 0.826 177.102 176.300 -0.040 0.000 1.181 228 R CA 0.481 56.582 56.100 0.001 0.000 0.836 228 R CB -2.101 28.067 30.300 -0.221 0.000 1.324 228 R HN 0.531 nan 8.270 nan 0.000 0.501 229 G N 0.529 109.309 108.800 -0.033 0.000 2.546 229 G HA2 0.208 4.168 3.960 -0.000 0.000 0.239 229 G HA3 0.208 4.168 3.960 -0.000 0.000 0.239 229 G C -0.289 174.605 174.900 -0.011 0.000 1.476 229 G CA -0.148 44.938 45.100 -0.023 0.000 1.064 229 G HN 0.143 nan 8.290 nan 0.000 0.561 230 N N -0.890 117.816 118.700 0.010 0.000 2.417 230 N HA 0.381 5.121 4.740 -0.000 0.000 0.274 230 N C -0.946 174.560 175.510 -0.006 0.000 0.987 230 N CA -0.343 52.717 53.050 0.016 0.000 0.912 230 N CB 1.395 39.906 38.487 0.040 0.000 1.177 230 N HN 0.196 nan 8.380 nan 0.000 0.490 231 T N 4.221 118.780 114.554 0.008 0.000 2.762 231 T HA 0.290 4.640 4.350 -0.000 0.000 0.303 231 T C 0.177 174.936 174.700 0.099 0.000 0.977 231 T CA -0.352 61.755 62.100 0.011 0.000 0.961 231 T CB 0.053 68.886 68.868 -0.058 0.000 0.944 231 T HN 0.311 nan 8.240 nan 0.000 0.481 232 L N 5.677 126.931 121.223 0.052 0.000 2.270 232 L HA 0.648 4.988 4.340 -0.000 0.000 0.286 232 L C -0.487 176.442 176.870 0.099 0.000 1.059 232 L CA -0.348 54.513 54.840 0.034 0.000 0.839 232 L CB 0.306 42.361 42.059 -0.007 0.000 1.221 232 L HN 0.628 nan 8.230 nan 0.000 0.431 233 I N 2.258 122.941 120.570 0.188 0.000 2.882 233 I HA 0.197 4.367 4.170 -0.000 0.000 0.298 233 I C -1.168 175.177 176.117 0.380 0.000 1.462 233 I CA -0.756 60.696 61.300 0.253 0.000 1.000 233 I CB 2.412 40.567 38.000 0.260 0.000 1.340 233 I HN 0.477 nan 8.210 nan 0.000 0.462 234 D N 4.550 125.112 120.400 0.269 0.000 2.384 234 D HA 0.002 4.642 4.640 -0.000 0.000 0.244 234 D C 0.578 177.141 176.300 0.439 0.000 1.251 234 D CA -0.086 54.102 54.000 0.313 0.000 0.961 234 D CB 0.716 41.615 40.800 0.166 0.000 1.116 234 D HN 0.673 nan 8.370 nan 0.000 0.484 235 E N -0.494 119.993 120.200 0.478 0.000 2.150 235 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 235 E C 1.679 178.309 176.600 0.049 0.000 0.985 235 E CA 0.905 57.529 56.400 0.374 0.000 0.814 235 E CB 0.135 30.135 29.700 0.499 0.000 0.752 235 E HN 0.368 nan 8.360 nan 0.000 0.466 236 K N -0.596 119.814 120.400 0.017 0.000 2.026 236 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 236 K C 2.094 178.630 176.600 -0.107 0.000 1.048 236 K CA 1.213 57.434 56.287 -0.110 0.000 0.929 236 K CB -0.260 32.207 32.500 -0.055 0.000 0.713 236 K HN 0.177 nan 8.250 nan 0.000 0.439 237 G N 1.009 109.805 108.800 -0.007 0.000 2.422 237 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.218 237 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.218 237 G C 1.371 176.292 174.900 0.035 0.000 1.140 237 G CA 0.347 45.456 45.100 0.015 0.000 0.775 237 G HN 0.126 nan 8.290 nan 0.000 0.545 238 L N 0.271 121.507 121.223 0.022 0.000 2.141 238 L HA 0.166 4.506 4.340 -0.000 0.000 0.209 238 L C 2.652 179.472 176.870 -0.083 0.000 1.094 238 L CA 1.591 56.418 54.840 -0.020 0.000 0.763 238 L CB -0.378 41.538 42.059 -0.238 0.000 0.908 238 L HN 0.203 nan 8.230 nan 0.000 0.437 239 R N -0.735 119.559 120.500 -0.343 0.000 2.055 239 R HA -0.097 4.243 4.340 -0.000 0.000 0.226 239 R C 1.551 177.797 176.300 -0.091 0.000 1.135 239 R CA 1.672 57.456 56.100 -0.526 0.000 0.959 239 R CB -0.134 29.561 30.300 -1.008 0.000 0.854 239 R HN 0.374 nan 8.270 nan 0.000 0.431 240 D N -0.261 120.084 120.400 -0.092 0.000 2.323 240 D HA -0.017 4.622 4.640 -0.000 0.000 0.209 240 D C 1.763 178.029 176.300 -0.057 0.000 0.973 240 D CA 0.766 54.757 54.000 -0.015 0.000 0.874 240 D CB 0.325 41.093 40.800 -0.054 0.000 0.930 240 D HN 0.340 nan 8.370 nan 0.000 0.521 241 I N -0.077 120.418 120.570 -0.126 0.000 2.681 241 I HA -0.076 4.094 4.170 -0.000 0.000 0.247 241 I C 1.924 177.838 176.117 -0.337 0.000 1.091 241 I CA 0.409 61.540 61.300 -0.281 0.000 1.442 241 I CB 0.126 37.871 38.000 -0.426 0.000 1.219 241 I HN -0.024 nan 8.210 nan 0.000 0.451 242 H N -0.508 118.505 119.070 -0.095 0.000 2.553 242 H HA 0.257 4.813 4.556 -0.000 0.000 0.265 242 H C 1.474 176.742 175.328 -0.101 0.000 0.964 242 H CA 0.437 56.426 56.048 -0.099 0.000 1.156 242 H CB 0.585 30.273 29.762 -0.124 0.000 1.411 242 H HN 0.168 nan 8.280 nan 0.000 0.558 243 S N 0.255 115.906 115.700 -0.081 0.000 2.539 243 S HA 0.208 4.678 4.470 -0.000 0.000 0.221 243 S C 2.091 176.300 174.600 -0.652 0.000 0.987 243 S CA 0.297 58.382 58.200 -0.192 0.000 0.929 243 S CB 0.576 63.713 63.200 -0.104 0.000 0.832 243 S HN 0.422 nan 8.310 nan 0.000 0.492 244 A N 1.854 124.413 122.820 -0.435 0.000 1.883 244 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 244 A C 2.250 179.707 177.584 -0.211 0.000 1.186 244 A CA 1.829 53.676 52.037 -0.317 0.000 0.624 244 A CB -1.371 17.588 19.000 -0.069 0.000 0.822 244 A HN 0.516 nan 8.150 nan 0.000 0.444 245 G N -2.381 106.309 108.800 -0.183 0.000 2.470 245 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.220 245 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.220 245 G C 1.360 176.125 174.900 -0.224 0.000 1.121 245 G CA 1.158 46.151 45.100 -0.178 0.000 0.766 245 G HN 0.561 nan 8.290 nan 0.000 0.553 246 Y N -0.431 119.769 120.300 -0.166 0.000 2.365 246 Y HA 0.192 4.742 4.550 -0.000 0.000 0.293 246 Y C 2.357 178.257 175.900 0.001 0.000 1.119 246 Y CA -0.083 57.955 58.100 -0.103 0.000 1.203 246 Y CB -0.203 38.214 38.460 -0.071 0.000 1.026 246 Y HN 0.131 nan 8.280 nan 0.000 0.549 247 F N -0.067 120.012 119.950 0.213 0.000 2.126 247 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 247 F C 2.641 178.487 175.800 0.077 0.000 1.096 247 F CA 1.370 59.448 58.000 0.129 0.000 1.255 247 F CB -1.497 37.562 39.000 0.098 0.000 0.997 247 F HN 0.060 nan 8.300 nan 0.000 0.479 248 S N -0.177 115.659 115.700 0.228 0.000 2.388 248 S HA 0.092 4.562 4.470 -0.000 0.000 0.223 248 S C 2.252 176.909 174.600 0.094 0.000 1.034 248 S CA 0.492 58.770 58.200 0.131 0.000 0.963 248 S CB -0.982 62.272 63.200 0.091 0.000 0.827 248 S HN 0.231 nan 8.310 nan 0.000 0.481 249 A N 2.287 125.149 122.820 0.070 0.000 1.877 249 A HA 0.088 4.408 4.320 -0.000 0.000 0.216 249 A C 2.229 179.883 177.584 0.117 0.000 1.186 249 A CA 1.497 53.571 52.037 0.062 0.000 0.620 249 A CB -0.895 18.099 19.000 -0.009 0.000 0.822 249 A HN 0.554 nan 8.150 nan 0.000 0.443 250 I N -0.396 120.262 120.570 0.147 0.000 2.252 250 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 250 I C 2.428 178.608 176.117 0.105 0.000 1.102 250 I CA 1.636 63.037 61.300 0.169 0.000 1.385 250 I CB -0.525 37.575 38.000 0.166 0.000 1.064 250 I HN 0.455 nan 8.210 nan 0.000 0.414 251 N N 0.881 119.633 118.700 0.086 0.000 2.061 251 N HA -0.247 4.493 4.740 -0.000 0.000 0.193 251 N C 1.744 177.273 175.510 0.032 0.000 1.030 251 N CA 1.520 54.595 53.050 0.041 0.000 0.856 251 N CB -0.003 38.516 38.487 0.053 0.000 1.023 251 N HN 0.195 nan 8.380 nan 0.000 0.424 252 Q N -0.581 119.255 119.800 0.060 0.000 2.482 252 Q HA 0.168 4.508 4.340 -0.000 0.000 0.209 252 Q C 0.613 176.678 176.000 0.108 0.000 0.961 252 Q CA 0.749 56.591 55.803 0.066 0.000 0.945 252 Q CB -0.126 28.658 28.738 0.076 0.000 1.012 252 Q HN 0.542 nan 8.270 nan 0.000 0.515 253 G N 0.742 109.607 108.800 0.107 0.000 2.204 253 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 253 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 253 G C 0.075 175.162 174.900 0.311 0.000 1.062 253 G CA 0.277 45.461 45.100 0.138 0.000 0.798 253 G HN 0.304 nan 8.290 nan 0.000 0.496 254 V N 0.126 120.197 119.914 0.262 0.000 2.694 254 V HA 0.165 4.285 4.120 -0.000 0.000 0.306 254 V C 1.551 177.835 176.094 0.317 0.000 1.054 254 V CA 0.997 63.449 62.300 0.252 0.000 1.161 254 V CB 1.342 33.267 31.823 0.169 0.000 0.916 254 V HN 0.485 nan 8.190 nan 0.000 0.490 255 Q N 3.276 123.201 119.800 0.210 0.000 2.269 255 Q HA 0.187 4.527 4.340 -0.000 0.000 0.201 255 Q C 0.725 176.698 176.000 -0.044 0.000 0.946 255 Q CA 0.727 56.606 55.803 0.127 0.000 0.877 255 Q CB 0.526 29.317 28.738 0.089 0.000 0.963 255 Q HN 0.726 nan 8.270 nan 0.000 0.472 256 S N -0.605 115.054 115.700 -0.068 0.000 2.549 256 S HA 0.601 5.071 4.470 -0.000 0.000 0.280 256 S C -1.333 173.181 174.600 -0.143 0.000 1.109 256 S CA -0.597 57.376 58.200 -0.379 0.000 0.905 256 S CB 1.637 64.496 63.200 -0.569 0.000 1.081 256 S HN -0.120 nan 8.310 nan 0.000 0.477 257 V N 4.922 124.679 119.914 -0.262 0.000 2.531 257 V HA 0.512 4.631 4.120 -0.000 0.000 0.301 257 V C -0.232 175.750 176.094 -0.186 0.000 1.034 257 V CA -0.619 61.478 62.300 -0.337 0.000 0.865 257 V CB 1.751 33.063 31.823 -0.852 0.000 0.995 257 V HN 0.948 nan 8.190 nan 0.000 0.424 258 M N 4.446 123.974 119.600 -0.120 0.000 2.157 258 M HA 0.711 5.191 4.480 -0.000 0.000 0.354 258 M C 0.318 176.593 176.300 -0.042 0.000 1.170 258 M CA -0.318 54.919 55.300 -0.105 0.000 1.060 258 M CB 1.162 33.642 32.600 -0.202 0.000 1.615 258 M HN 0.817 nan 8.290 nan 0.000 0.460 259 A N 3.502 126.248 122.820 -0.125 0.000 2.386 259 A HA 0.491 4.811 4.320 -0.000 0.000 0.248 259 A C -0.009 177.512 177.584 -0.105 0.000 1.082 259 A CA -0.326 51.543 52.037 -0.279 0.000 0.789 259 A CB 0.131 18.657 19.000 -0.791 0.000 1.025 259 A HN 0.893 nan 8.150 nan 0.000 0.490 260 S N 0.190 115.879 115.700 -0.019 0.000 2.616 260 S HA 0.526 4.996 4.470 -0.000 0.000 0.277 260 S C 0.247 175.017 174.600 0.283 0.000 1.234 260 S CA -0.444 57.838 58.200 0.138 0.000 1.028 260 S CB 0.438 63.692 63.200 0.090 0.000 0.988 260 S HN 0.433 nan 8.310 nan 0.000 0.522 261 F N 1.922 122.012 119.950 0.233 0.000 2.269 261 F HA 0.002 4.529 4.527 -0.000 0.000 0.301 261 F C 1.392 177.207 175.800 0.025 0.000 1.082 261 F CA 0.639 58.691 58.000 0.086 0.000 1.360 261 F CB -0.983 38.010 39.000 -0.011 0.000 1.041 261 F HN 0.734 nan 8.300 nan 0.000 0.512 262 N N -0.851 117.968 118.700 0.199 0.000 2.354 262 N HA 0.198 4.938 4.740 -0.000 0.000 0.246 262 N C -0.395 175.175 175.510 0.100 0.000 1.285 262 N CA -0.372 52.728 53.050 0.082 0.000 0.925 262 N CB 0.389 38.864 38.487 -0.020 0.000 1.174 262 N HN -0.172 nan 8.380 nan 0.000 0.478 263 S N -1.191 114.553 115.700 0.072 0.000 2.608 263 S HA 0.308 4.778 4.470 -0.000 0.000 0.291 263 S C -1.475 173.213 174.600 0.147 0.000 1.146 263 S CA -0.666 57.594 58.200 0.100 0.000 1.043 263 S CB 0.319 63.553 63.200 0.056 0.000 1.037 263 S HN 0.658 nan 8.310 nan 0.000 0.520 264 W N 3.297 124.577 121.300 -0.033 0.000 2.318 264 W HA 0.422 5.082 4.660 -0.000 0.000 0.315 264 W C -0.431 176.072 176.519 -0.027 0.000 1.033 264 W CA -1.041 56.277 57.345 -0.045 0.000 1.275 264 W CB -0.380 29.060 29.460 -0.035 0.000 1.250 264 W HN 0.758 nan 8.180 nan 0.000 0.421 265 N N 4.159 122.644 118.700 -0.359 0.000 2.710 265 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 265 N C 0.911 176.259 175.510 -0.270 0.000 1.059 265 N CA 2.239 55.032 53.050 -0.427 0.000 0.720 265 N CB -1.390 36.643 38.487 -0.757 0.000 0.983 265 N HN 1.272 nan 8.380 nan 0.000 0.544 266 G N -1.550 107.161 108.800 -0.148 0.000 2.213 266 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.226 266 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.226 266 G C -0.072 174.796 174.900 -0.052 0.000 0.992 266 G CA 0.414 45.451 45.100 -0.105 0.000 0.632 266 G HN 0.533 nan 8.290 nan 0.000 0.511 267 K N 1.136 121.516 120.400 -0.034 0.000 2.307 267 K HA 0.429 4.749 4.320 -0.000 0.000 0.263 267 K C 0.238 176.897 176.600 0.098 0.000 0.973 267 K CA -0.992 55.310 56.287 0.026 0.000 0.846 267 K CB 0.476 32.988 32.500 0.019 0.000 1.100 267 K HN 0.030 nan 8.250 nan 0.000 0.438 268 R N 3.113 123.676 120.500 0.106 0.000 2.488 268 R HA -0.047 4.293 4.340 -0.000 0.000 0.317 268 R C 1.228 177.642 176.300 0.189 0.000 0.941 268 R CA 0.128 56.322 56.100 0.157 0.000 1.076 268 R CB -0.172 30.234 30.300 0.176 0.000 0.917 268 R HN 0.503 nan 8.270 nan 0.000 0.407 269 V N 3.393 123.423 119.914 0.193 0.000 2.317 269 V HA -0.309 3.811 4.120 -0.000 0.000 0.251 269 V C 2.130 178.303 176.094 0.131 0.000 1.065 269 V CA 1.782 64.172 62.300 0.149 0.000 1.049 269 V CB -0.732 31.134 31.823 0.072 0.000 0.651 269 V HN 0.761 nan 8.190 nan 0.000 0.450 270 H N -0.190 118.945 119.070 0.110 0.000 2.518 270 H HA -0.069 4.487 4.556 -0.000 0.000 0.289 270 H C 2.121 177.517 175.328 0.114 0.000 1.051 270 H CA 1.323 57.437 56.048 0.110 0.000 1.280 270 H CB 0.039 29.880 29.762 0.132 0.000 1.380 270 H HN 0.545 nan 8.280 nan 0.000 0.566 271 G N -0.474 108.456 108.800 0.217 0.000 3.277 271 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.243 271 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.243 271 G C -0.120 174.856 174.900 0.126 0.000 1.107 271 G CA -0.170 45.025 45.100 0.158 0.000 0.771 271 G HN 0.114 nan 8.290 nan 0.000 0.544 272 D N 0.746 121.225 120.400 0.131 0.000 2.454 272 D HA 0.212 4.852 4.640 -0.000 0.000 0.225 272 D C 1.122 177.495 176.300 0.121 0.000 1.081 272 D CA -0.425 53.661 54.000 0.145 0.000 0.864 272 D CB 1.422 42.338 40.800 0.194 0.000 1.040 272 D HN 0.062 nan 8.370 nan 0.000 0.517 273 K N 2.635 123.102 120.400 0.112 0.000 2.097 273 K HA -0.237 4.083 4.320 -0.000 0.000 0.206 273 K C 1.663 178.309 176.600 0.077 0.000 1.049 273 K CA 1.081 57.416 56.287 0.079 0.000 0.933 273 K CB -0.025 32.520 32.500 0.076 0.000 0.717 273 K HN 0.450 nan 8.250 nan 0.000 0.442 274 H N 0.448 119.553 119.070 0.058 0.000 2.353 274 H HA -0.136 4.420 4.556 -0.000 0.000 0.298 274 H C 1.740 177.062 175.328 -0.010 0.000 1.103 274 H CA 2.198 58.279 56.048 0.054 0.000 1.293 274 H CB -0.058 29.783 29.762 0.132 0.000 1.372 274 H HN 0.152 nan 8.280 nan 0.000 0.501 275 L N -0.775 120.427 121.223 -0.035 0.000 2.049 275 L HA -0.071 4.268 4.340 -0.000 0.000 0.203 275 L C 2.528 179.343 176.870 -0.091 0.000 1.074 275 L CA 0.812 55.585 54.840 -0.112 0.000 0.749 275 L CB -0.266 41.805 42.059 0.019 0.000 0.907 275 L HN 0.285 nan 8.230 nan 0.000 0.439 276 L N -1.162 120.029 121.223 -0.052 0.000 2.072 276 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 276 L C 2.415 179.196 176.870 -0.148 0.000 1.079 276 L CA 1.239 56.009 54.840 -0.117 0.000 0.752 276 L CB -0.512 41.513 42.059 -0.057 0.000 0.906 276 L HN 0.271 nan 8.230 nan 0.000 0.436 277 T N -1.672 112.823 114.554 -0.099 0.000 2.898 277 T HA -0.126 4.224 4.350 -0.000 0.000 0.241 277 T C 1.406 176.028 174.700 -0.132 0.000 1.024 277 T CA 1.040 63.091 62.100 -0.083 0.000 1.174 277 T CB -0.080 68.771 68.868 -0.028 0.000 0.873 277 T HN 0.205 nan 8.240 nan 0.000 0.422 278 D N 0.739 121.043 120.400 -0.160 0.000 2.117 278 D HA -0.070 4.570 4.640 -0.000 0.000 0.197 278 D C 1.992 178.106 176.300 -0.310 0.000 0.987 278 D CA 0.815 54.701 54.000 -0.190 0.000 0.829 278 D CB -0.206 40.498 40.800 -0.160 0.000 0.961 278 D HN 0.132 nan 8.370 nan 0.000 0.460 279 V N 0.086 119.689 119.914 -0.519 0.000 2.278 279 V HA -0.075 4.045 4.120 -0.000 0.000 0.238 279 V C 2.421 178.230 176.094 -0.475 0.000 1.039 279 V CA 1.235 63.107 62.300 -0.714 0.000 1.017 279 V CB -0.703 30.372 31.823 -1.247 0.000 0.657 279 V HN 0.226 nan 8.190 nan 0.000 0.462 280 L N 0.199 121.124 121.223 -0.497 0.000 1.989 280 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 280 L C 2.375 179.111 176.870 -0.224 0.000 1.071 280 L CA 2.174 56.683 54.840 -0.553 0.000 0.749 280 L CB -0.621 40.812 42.059 -1.044 0.000 0.890 280 L HN 0.227 nan 8.230 nan 0.000 0.431 281 K N -1.054 119.260 120.400 -0.145 0.000 2.044 281 K HA -0.020 4.299 4.320 -0.000 0.000 0.204 281 K C 1.900 178.504 176.600 0.007 0.000 1.045 281 K CA 1.263 57.541 56.287 -0.015 0.000 0.951 281 K CB -0.212 32.281 32.500 -0.013 0.000 0.738 281 K HN 0.301 nan 8.250 nan 0.000 0.443 282 N N 1.075 119.760 118.700 -0.025 0.000 2.109 282 N HA -0.106 4.633 4.740 -0.000 0.000 0.188 282 N C 1.841 177.399 175.510 0.081 0.000 1.034 282 N CA 1.292 54.353 53.050 0.020 0.000 0.846 282 N CB -0.161 38.321 38.487 -0.008 0.000 1.010 282 N HN 0.212 nan 8.380 nan 0.000 0.425 283 Q N 0.038 119.858 119.800 0.033 0.000 2.089 283 Q HA 0.158 4.498 4.340 -0.000 0.000 0.195 283 Q C 2.135 178.272 176.000 0.229 0.000 0.963 283 Q CA 0.591 56.471 55.803 0.128 0.000 0.834 283 Q CB 0.013 28.800 28.738 0.082 0.000 0.906 283 Q HN 0.277 nan 8.270 nan 0.000 0.452 284 L N -0.815 120.479 121.223 0.119 0.000 2.156 284 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 284 L C 1.230 178.071 176.870 -0.049 0.000 1.095 284 L CA 1.000 55.905 54.840 0.107 0.000 0.770 284 L CB -0.198 41.916 42.059 0.091 0.000 0.914 284 L HN 0.547 nan 8.230 nan 0.000 0.439 285 G N -0.555 108.271 108.800 0.045 0.000 2.131 285 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.201 285 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.201 285 G C 0.091 175.006 174.900 0.025 0.000 1.000 285 G CA -0.391 44.744 45.100 0.059 0.000 0.680 285 G HN 0.123 nan 8.290 nan 0.000 0.514 286 F N 1.791 121.669 119.950 -0.120 0.000 2.590 286 F HA 0.428 4.955 4.527 -0.000 0.000 0.389 286 F C 0.992 176.752 175.800 -0.067 0.000 1.049 286 F CA 0.203 58.130 58.000 -0.123 0.000 1.199 286 F CB 0.895 39.772 39.000 -0.205 0.000 1.058 286 F HN 0.097 nan 8.300 nan 0.000 0.556 287 D N 3.291 123.353 120.400 -0.562 0.000 2.398 287 D HA 0.204 4.844 4.640 -0.000 0.000 0.210 287 D C 0.983 176.894 176.300 -0.648 0.000 1.094 287 D CA 0.519 54.257 54.000 -0.437 0.000 0.839 287 D CB 0.097 40.781 40.800 -0.194 0.000 0.963 287 D HN 0.625 nan 8.370 nan 0.000 0.506 288 G N -0.415 107.497 108.800 -1.481 0.000 2.574 288 G HA2 0.431 4.391 3.960 -0.000 0.000 0.248 288 G HA3 0.431 4.391 3.960 -0.000 0.000 0.248 288 G C -0.433 174.099 174.900 -0.614 0.000 1.422 288 G CA -0.658 43.841 45.100 -1.001 0.000 1.051 288 G HN 0.200 nan 8.290 nan 0.000 0.560 289 F N -1.223 118.686 119.950 -0.068 0.000 2.458 289 F HA 0.724 5.251 4.527 -0.000 0.000 0.330 289 F C -0.564 175.444 175.800 0.346 0.000 1.082 289 F CA -1.576 56.513 58.000 0.148 0.000 0.995 289 F CB 1.825 40.912 39.000 0.145 0.000 1.170 289 F HN 0.212 nan 8.300 nan 0.000 0.478 290 V N 4.916 125.051 119.914 0.368 0.000 2.364 290 V HA 0.372 4.492 4.120 -0.000 0.000 0.272 290 V C -0.254 175.979 176.094 0.232 0.000 1.036 290 V CA -0.796 61.608 62.300 0.173 0.000 0.880 290 V CB 1.010 32.867 31.823 0.056 0.000 0.991 290 V HN 0.840 nan 8.190 nan 0.000 0.460 291 V N 5.933 125.960 119.914 0.189 0.000 2.539 291 V HA 0.607 4.726 4.120 -0.000 0.000 0.292 291 V C 0.646 176.781 176.094 0.069 0.000 1.045 291 V CA -0.053 62.366 62.300 0.198 0.000 0.945 291 V CB 2.320 34.346 31.823 0.338 0.000 0.993 291 V HN 1.071 nan 8.190 nan 0.000 0.464 292 S N 4.575 120.334 115.700 0.099 0.000 2.645 292 S HA 0.376 4.846 4.470 -0.000 0.000 0.266 292 S C -0.179 174.505 174.600 0.140 0.000 1.258 292 S CA -0.603 57.738 58.200 0.235 0.000 0.990 292 S CB 1.295 64.659 63.200 0.273 0.000 0.967 292 S HN 0.821 nan 8.310 nan 0.000 0.556 293 D N -0.329 120.162 120.400 0.152 0.000 2.432 293 D HA 0.106 4.745 4.640 -0.000 0.000 0.258 293 D C -0.428 175.946 176.300 0.123 0.000 1.146 293 D CA -0.779 53.184 54.000 -0.062 0.000 1.015 293 D CB 0.586 41.016 40.800 -0.617 0.000 1.107 293 D HN 0.718 nan 8.370 nan 0.000 0.529 294 W N 2.576 124.001 121.300 0.208 0.000 2.797 294 W HA -0.120 4.540 4.660 -0.000 0.000 0.371 294 W C 0.050 176.808 176.519 0.399 0.000 1.334 294 W CA 0.152 57.697 57.345 0.333 0.000 1.333 294 W CB -0.812 28.887 29.460 0.399 0.000 1.445 294 W HN 0.471 nan 8.180 nan 0.000 0.579 295 N N 2.711 121.444 118.700 0.056 0.000 2.681 295 N HA -0.276 4.464 4.740 -0.000 0.000 0.250 295 N C 1.181 176.709 175.510 0.030 0.000 1.133 295 N CA 1.334 54.367 53.050 -0.029 0.000 0.732 295 N CB -1.410 37.010 38.487 -0.111 0.000 1.107 295 N HN 0.528 nan 8.380 nan 0.000 0.559 296 A N 0.225 123.182 122.820 0.229 0.000 1.940 296 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 296 A C 1.797 179.397 177.584 0.027 0.000 1.176 296 A CA 2.152 54.291 52.037 0.169 0.000 0.631 296 A CB -0.906 17.590 19.000 -0.839 0.000 0.814 296 A HN 0.827 nan 8.150 nan 0.000 0.446 297 H N 0.086 119.135 119.070 -0.035 0.000 2.518 297 H HA -0.058 4.498 4.556 -0.000 0.000 0.289 297 H C 1.612 176.935 175.328 -0.007 0.000 1.051 297 H CA 1.307 57.374 56.048 0.032 0.000 1.280 297 H CB -0.329 29.474 29.762 0.069 0.000 1.380 297 H HN 0.672 nan 8.280 nan 0.000 0.566 298 K N 0.613 120.589 120.400 -0.706 0.000 2.288 298 K HA -0.080 4.240 4.320 -0.000 0.000 0.201 298 K C 0.627 176.927 176.600 -0.501 0.000 1.048 298 K CA 1.079 56.977 56.287 -0.648 0.000 0.956 298 K CB -0.179 31.803 32.500 -0.864 0.000 0.746 298 K HN 0.312 nan 8.250 nan 0.000 0.461 299 F N 1.883 121.770 119.950 -0.105 0.000 2.710 299 F HA 0.088 4.615 4.527 -0.000 0.000 0.298 299 F C 1.191 176.974 175.800 -0.027 0.000 1.137 299 F CA -0.349 57.616 58.000 -0.058 0.000 1.444 299 F CB 0.079 39.070 39.000 -0.015 0.000 1.111 299 F HN -0.106 nan 8.300 nan 0.000 0.580 300 V N 1.406 121.401 119.914 0.136 0.000 2.732 300 V HA 0.194 4.313 4.120 -0.000 0.000 0.297 300 V C 0.340 176.460 176.094 0.042 0.000 1.060 300 V CA -1.154 61.215 62.300 0.115 0.000 1.038 300 V CB 0.805 32.725 31.823 0.163 0.000 1.003 300 V HN 0.421 nan 8.190 nan 0.000 0.481 301 E N 4.356 124.570 120.200 0.024 0.000 2.465 301 E HA 0.352 4.702 4.350 -0.000 0.000 0.260 301 E C 0.969 177.556 176.600 -0.022 0.000 0.980 301 E CA 0.173 56.558 56.400 -0.025 0.000 0.927 301 E CB 0.085 29.766 29.700 -0.032 0.000 0.934 301 E HN 1.782 nan 8.360 nan 0.000 0.459 302 G N 2.224 110.993 108.800 -0.051 0.000 2.168 302 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.263 302 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.263 302 G C 0.091 174.974 174.900 -0.029 0.000 0.977 302 G CA 0.200 45.274 45.100 -0.044 0.000 0.659 302 G HN 0.663 nan 8.290 nan 0.000 0.533 303 c N 0.572 119.160 118.600 -0.020 0.000 2.470 303 c HA 0.846 5.416 4.570 -0.000 0.000 0.341 303 c C 0.349 174.414 174.090 -0.043 0.000 1.190 303 c CA 0.115 56.449 56.329 0.009 0.000 1.904 303 c CB 1.547 44.103 42.510 0.077 0.000 2.354 303 c HN 0.760 nan 8.230 nan 0.000 0.509 304 D N -0.450 119.937 120.400 -0.021 0.000 2.837 304 D HA 0.338 4.978 4.640 -0.000 0.000 0.294 304 D C 0.550 176.813 176.300 -0.062 0.000 1.158 304 D CA -0.796 53.143 54.000 -0.102 0.000 1.073 304 D CB 0.149 40.883 40.800 -0.110 0.000 1.419 304 D HN 0.238 nan 8.370 nan 0.000 0.584 305 L N -0.836 120.279 121.223 -0.180 0.000 2.187 305 L HA -0.078 4.262 4.340 -0.000 0.000 0.213 305 L C 1.492 178.505 176.870 0.239 0.000 1.100 305 L CA 1.447 56.190 54.840 -0.161 0.000 0.765 305 L CB -0.329 41.423 42.059 -0.512 0.000 0.904 305 L HN 0.466 nan 8.230 nan 0.000 0.437 306 E N -1.177 119.116 120.200 0.155 0.000 2.501 306 E HA 0.099 4.449 4.350 -0.000 0.000 0.201 306 E C 0.072 176.700 176.600 0.048 0.000 1.016 306 E CA -0.099 56.419 56.400 0.196 0.000 0.920 306 E CB 0.644 30.373 29.700 0.048 0.000 1.023 306 E HN 0.150 nan 8.360 nan 0.000 0.474 307 Q N 0.378 120.223 119.800 0.076 0.000 2.598 307 Q HA 0.119 4.459 4.340 -0.000 0.000 0.237 307 Q C -2.167 173.844 176.000 0.017 0.000 0.914 307 Q CA -0.258 55.392 55.803 -0.255 0.000 1.065 307 Q CB 1.323 29.970 28.738 -0.153 0.000 1.586 307 Q HN 0.197 nan 8.270 nan 0.000 0.484 308 c N 3.902 122.472 118.600 -0.051 0.000 3.430 308 c HA 0.618 5.188 4.570 -0.000 0.000 0.268 308 c C 1.313 175.459 174.090 0.092 0.000 1.101 308 c CA 0.554 56.981 56.329 0.164 0.000 1.286 308 c CB -0.342 42.421 42.510 0.423 0.000 1.795 308 c HN 0.900 nan 8.230 nan 0.000 0.569 309 A N 1.343 124.162 122.820 -0.002 0.000 1.940 309 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 309 A C 2.048 179.660 177.584 0.047 0.000 1.176 309 A CA 2.264 54.301 52.037 0.002 0.000 0.631 309 A CB -0.386 18.598 19.000 -0.028 0.000 0.814 309 A HN 0.816 nan 8.150 nan 0.000 0.446 310 Q N -0.145 119.692 119.800 0.061 0.000 2.124 310 Q HA -0.032 4.308 4.340 -0.000 0.000 0.202 310 Q C 2.042 178.103 176.000 0.101 0.000 0.977 310 Q CA 2.100 57.947 55.803 0.072 0.000 0.850 310 Q CB -0.619 28.161 28.738 0.070 0.000 0.901 310 Q HN 0.567 nan 8.270 nan 0.000 0.429 311 A N -0.022 122.884 122.820 0.142 0.000 1.877 311 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 311 A C 2.122 179.783 177.584 0.128 0.000 1.186 311 A CA 1.526 53.665 52.037 0.170 0.000 0.620 311 A CB -0.728 18.420 19.000 0.247 0.000 0.822 311 A HN 0.448 nan 8.150 nan 0.000 0.443 312 I N 0.246 120.889 120.570 0.122 0.000 2.142 312 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 312 I C 1.956 178.113 176.117 0.066 0.000 1.078 312 I CA 1.311 62.666 61.300 0.092 0.000 1.343 312 I CB -0.475 37.578 38.000 0.088 0.000 1.046 312 I HN 0.262 nan 8.210 nan 0.000 0.405 313 N N 1.010 119.744 118.700 0.058 0.000 2.348 313 N HA -0.141 4.599 4.740 -0.000 0.000 0.185 313 N C 1.726 177.265 175.510 0.048 0.000 1.019 313 N CA 1.458 54.535 53.050 0.045 0.000 0.880 313 N CB -0.330 38.180 38.487 0.038 0.000 0.965 313 N HN 0.412 nan 8.380 nan 0.000 0.437 314 A N -0.543 122.313 122.820 0.059 0.000 2.016 314 A HA 0.341 4.661 4.320 -0.000 0.000 0.217 314 A C 1.691 179.297 177.584 0.036 0.000 1.162 314 A CA 1.535 53.605 52.037 0.056 0.000 0.662 314 A CB -0.030 19.015 19.000 0.075 0.000 0.812 314 A HN 0.357 nan 8.150 nan 0.000 0.450 315 G N -2.487 106.335 108.800 0.038 0.000 2.613 315 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.199 315 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.199 315 G C 0.043 174.966 174.900 0.039 0.000 0.991 315 G CA -0.064 45.051 45.100 0.026 0.000 0.756 315 G HN 0.569 nan 8.290 nan 0.000 0.515 316 V N 2.342 122.286 119.914 0.050 0.000 2.585 316 V HA 0.262 4.382 4.120 -0.000 0.000 0.296 316 V C 0.772 176.913 176.094 0.078 0.000 1.035 316 V CA 0.927 63.266 62.300 0.065 0.000 1.084 316 V CB 1.314 33.189 31.823 0.088 0.000 0.953 316 V HN 0.312 nan 8.190 nan 0.000 0.483 317 D N 2.400 122.858 120.400 0.097 0.000 2.423 317 D HA 0.128 4.768 4.640 -0.000 0.000 0.212 317 D C 0.319 176.603 176.300 -0.025 0.000 1.060 317 D CA 0.652 54.696 54.000 0.073 0.000 0.872 317 D CB 1.551 42.438 40.800 0.145 0.000 1.012 317 D HN 0.435 nan 8.370 nan 0.000 0.503 318 V N 1.299 121.206 119.914 -0.011 0.000 2.623 318 V HA 0.356 4.476 4.120 -0.000 0.000 0.304 318 V C -1.590 174.472 176.094 -0.053 0.000 1.054 318 V CA -0.859 61.370 62.300 -0.117 0.000 0.882 318 V CB 2.248 33.831 31.823 -0.400 0.000 1.002 318 V HN -0.170 nan 8.190 nan 0.000 0.424 319 I N 6.939 127.429 120.570 -0.133 0.000 2.325 319 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 319 I C 0.396 176.347 176.117 -0.277 0.000 1.019 319 I CA -0.192 60.948 61.300 -0.267 0.000 1.302 319 I CB 1.451 39.090 38.000 -0.601 0.000 1.401 319 I HN 0.789 nan 8.210 nan 0.000 0.485 320 M N 8.038 127.533 119.600 -0.175 0.000 2.775 320 M HA 0.187 4.667 4.480 -0.000 0.000 0.313 320 M C -0.866 175.289 176.300 -0.243 0.000 1.429 320 M CA -0.210 54.998 55.300 -0.152 0.000 1.494 320 M CB -0.140 32.435 32.600 -0.041 0.000 1.274 320 M HN 0.344 nan 8.290 nan 0.000 0.491 321 V N 6.241 125.954 119.914 -0.334 0.000 2.220 321 V HA 0.252 4.372 4.120 -0.000 0.000 0.265 321 V C -2.022 173.928 176.094 -0.240 0.000 1.078 321 V CA -1.357 60.768 62.300 -0.291 0.000 0.872 321 V CB 0.019 31.622 31.823 -0.366 0.000 1.121 321 V HN 0.608 nan 8.190 nan 0.000 0.460 322 P HA -0.220 nan 4.420 nan 0.000 0.218 322 P C 1.350 178.555 177.300 -0.158 0.000 1.154 322 P CA 1.762 64.619 63.100 -0.405 0.000 0.872 322 P CB 0.574 31.652 31.700 -1.037 0.000 0.790 323 E N -2.887 117.048 120.200 -0.442 0.000 2.406 323 E HA -0.019 4.331 4.350 -0.000 0.000 0.204 323 E C 0.708 176.806 176.600 -0.837 0.000 0.820 323 E CA 0.073 55.912 56.400 -0.934 0.000 1.136 323 E CB -0.035 28.718 29.700 -1.579 0.000 1.129 323 E HN 0.256 nan 8.360 nan 0.000 0.530 324 H N 0.456 119.299 119.070 -0.378 0.000 2.610 324 H HA 0.105 4.661 4.556 0.000 0.000 0.302 324 H C 0.887 176.078 175.328 -0.227 0.000 1.063 324 H CA 0.328 56.195 56.048 -0.302 0.000 1.159 324 H CB -0.430 29.253 29.762 -0.131 0.000 1.427 324 H HN 0.283 nan 8.280 nan 0.000 0.553 325 F N 0.071 119.947 119.950 -0.123 0.000 2.161 325 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 325 F C 2.094 177.892 175.800 -0.003 0.000 1.089 325 F CA 1.248 59.153 58.000 -0.159 0.000 1.282 325 F CB -0.258 38.465 39.000 -0.463 0.000 1.010 325 F HN 0.208 nan 8.300 nan 0.000 0.485 326 E N 1.074 121.056 120.200 -0.363 0.000 2.046 326 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 326 E C 2.334 179.061 176.600 0.213 0.000 0.982 326 E CA 1.001 57.354 56.400 -0.078 0.000 0.800 326 E CB -0.313 29.274 29.700 -0.190 0.000 0.756 326 E HN 0.410 nan 8.360 nan 0.000 0.449 327 A N 0.272 123.171 122.820 0.132 0.000 1.929 327 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 327 A C 1.984 179.679 177.584 0.184 0.000 1.176 327 A CA 0.836 52.986 52.037 0.189 0.000 0.628 327 A CB -0.818 18.246 19.000 0.106 0.000 0.816 327 A HN 0.497 nan 8.150 nan 0.000 0.444 328 F N -0.805 119.186 119.950 0.068 0.000 2.161 328 F HA -0.229 4.298 4.527 0.000 0.000 0.300 328 F C 2.119 177.957 175.800 0.064 0.000 1.089 328 F CA 2.113 60.138 58.000 0.042 0.000 1.282 328 F CB -0.307 38.691 39.000 -0.003 0.000 1.010 328 F HN 0.432 nan 8.300 nan 0.000 0.485 329 Y N 0.107 120.518 120.300 0.185 0.000 2.163 329 Y HA -0.237 4.313 4.550 0.000 0.000 0.288 329 Y C 2.449 178.304 175.900 -0.075 0.000 1.136 329 Y CA 2.362 60.503 58.100 0.068 0.000 1.147 329 Y CB -1.042 37.423 38.460 0.009 0.000 0.987 329 Y HN 0.149 nan 8.280 nan 0.000 0.509 330 H N -0.464 118.621 119.070 0.026 0.000 2.421 330 H HA -0.100 4.456 4.556 -0.000 0.000 0.298 330 H C 1.857 177.081 175.328 -0.174 0.000 1.087 330 H CA 1.923 57.913 56.048 -0.096 0.000 1.330 330 H CB -0.237 29.576 29.762 0.084 0.000 1.388 330 H HN 0.498 nan 8.280 nan 0.000 0.526 331 N N -0.786 117.859 118.700 -0.090 0.000 2.171 331 N HA -0.108 4.631 4.740 -0.000 0.000 0.184 331 N C 1.542 176.898 175.510 -0.257 0.000 1.021 331 N CA 1.437 54.383 53.050 -0.174 0.000 0.854 331 N CB 0.136 38.483 38.487 -0.232 0.000 0.994 331 N HN 0.207 nan 8.380 nan 0.000 0.426 332 T N 0.442 114.778 114.554 -0.363 0.000 2.746 332 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 332 T C 2.121 176.683 174.700 -0.229 0.000 1.039 332 T CA 0.790 62.702 62.100 -0.313 0.000 1.142 332 T CB -0.357 68.344 68.868 -0.279 0.000 0.866 332 T HN -0.018 nan 8.240 nan 0.000 0.444 333 V N 1.264 121.000 119.914 -0.297 0.000 2.255 333 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 333 V C 2.565 178.576 176.094 -0.137 0.000 1.051 333 V CA 1.710 63.864 62.300 -0.243 0.000 1.018 333 V CB -0.536 31.076 31.823 -0.351 0.000 0.641 333 V HN 0.296 nan 8.190 nan 0.000 0.445 334 K N -0.002 120.328 120.400 -0.117 0.000 2.059 334 K HA -0.245 4.075 4.320 -0.000 0.000 0.212 334 K C 2.242 178.796 176.600 -0.077 0.000 1.050 334 K CA 1.822 58.063 56.287 -0.076 0.000 0.927 334 K CB -0.503 31.957 32.500 -0.066 0.000 0.714 334 K HN 0.571 nan 8.250 nan 0.000 0.447 335 Q N -0.439 119.300 119.800 -0.102 0.000 2.050 335 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 335 Q C 2.043 178.003 176.000 -0.065 0.000 0.980 335 Q CA 1.715 57.466 55.803 -0.087 0.000 0.840 335 Q CB -0.137 28.533 28.738 -0.112 0.000 0.898 335 Q HN 0.102 nan 8.270 nan 0.000 0.424 336 V N 1.627 121.498 119.914 -0.071 0.000 2.255 336 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 336 V C 2.184 178.256 176.094 -0.037 0.000 1.051 336 V CA 1.761 64.032 62.300 -0.048 0.000 1.018 336 V CB -0.615 31.179 31.823 -0.048 0.000 0.641 336 V HN 0.298 nan 8.190 nan 0.000 0.445 337 K N 0.791 121.166 120.400 -0.041 0.000 2.032 337 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 337 K C 2.285 178.871 176.600 -0.024 0.000 1.048 337 K CA 1.749 58.019 56.287 -0.028 0.000 0.927 337 K CB -0.819 31.664 32.500 -0.028 0.000 0.712 337 K HN 0.493 nan 8.250 nan 0.000 0.441 338 A N 0.314 123.117 122.820 -0.029 0.000 2.067 338 A HA 0.049 4.368 4.320 -0.000 0.000 0.219 338 A C 1.608 179.180 177.584 -0.021 0.000 1.158 338 A CA 1.736 53.758 52.037 -0.025 0.000 0.661 338 A CB -0.446 18.536 19.000 -0.030 0.000 0.801 338 A HN 0.487 nan 8.150 nan 0.000 0.452 339 G N -1.872 106.915 108.800 -0.022 0.000 2.144 339 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 339 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 339 G C 1.078 175.968 174.900 -0.016 0.000 0.988 339 G CA 0.745 45.835 45.100 -0.016 0.000 0.659 339 G HN 1.597 nan 8.290 nan 0.000 0.522 340 V N -1.430 118.470 119.914 -0.023 0.000 2.719 340 V HA 0.454 4.574 4.120 -0.000 0.000 0.252 340 V C 1.200 177.285 176.094 -0.016 0.000 1.065 340 V CA 1.409 63.697 62.300 -0.020 0.000 1.086 340 V CB -0.144 31.662 31.823 -0.028 0.000 0.700 340 V HN 0.484 nan 8.190 nan 0.000 0.467 341 I N 1.848 122.405 120.570 -0.021 0.000 2.378 341 I HA 0.679 4.849 4.170 -0.000 0.000 0.291 341 I C 0.425 176.538 176.117 -0.007 0.000 0.992 341 I CA -0.528 60.765 61.300 -0.011 0.000 1.154 341 I CB 1.414 39.404 38.000 -0.016 0.000 1.315 341 I HN 0.187 nan 8.210 nan 0.000 0.448 342 A N 5.162 127.983 122.820 0.001 0.000 2.450 342 A HA 0.160 4.480 4.320 -0.000 0.000 0.255 342 A C 1.163 178.750 177.584 0.006 0.000 1.096 342 A CA -0.161 51.878 52.037 0.003 0.000 0.778 342 A CB 0.167 19.171 19.000 0.007 0.000 1.031 342 A HN 0.899 nan 8.150 nan 0.000 0.494 343 E N 1.475 121.677 120.200 0.004 0.000 2.219 343 E HA -0.223 4.127 4.350 -0.000 0.000 0.198 343 E C 2.082 178.690 176.600 0.013 0.000 0.998 343 E CA 1.693 58.097 56.400 0.007 0.000 0.818 343 E CB -0.018 29.685 29.700 0.005 0.000 0.741 343 E HN 0.939 nan 8.360 nan 0.000 0.477 344 S N 0.565 116.273 115.700 0.013 0.000 2.423 344 S HA -0.146 4.324 4.470 -0.000 0.000 0.231 344 S C 1.858 176.470 174.600 0.020 0.000 1.014 344 S CA 0.959 59.168 58.200 0.015 0.000 0.965 344 S CB -0.026 63.181 63.200 0.012 0.000 0.785 344 S HN 0.065 nan 8.310 nan 0.000 0.495 345 R N 1.185 121.697 120.500 0.021 0.000 2.062 345 R HA 0.278 4.618 4.340 -0.000 0.000 0.226 345 R C 1.967 178.287 176.300 0.033 0.000 1.125 345 R CA 1.105 57.221 56.100 0.026 0.000 0.966 345 R CB -1.022 29.293 30.300 0.025 0.000 0.861 345 R HN 0.397 nan 8.270 nan 0.000 0.433 346 I N 1.494 122.082 120.570 0.030 0.000 2.118 346 I HA -0.350 3.820 4.170 -0.000 0.000 0.241 346 I C 1.625 177.768 176.117 0.043 0.000 1.070 346 I CA 1.650 62.972 61.300 0.037 0.000 1.327 346 I CB -0.463 37.555 38.000 0.029 0.000 1.034 346 I HN 0.265 nan 8.210 nan 0.000 0.405 347 N N 0.312 119.033 118.700 0.035 0.000 2.061 347 N HA -0.257 4.483 4.740 -0.000 0.000 0.193 347 N C 1.663 177.197 175.510 0.041 0.000 1.030 347 N CA 1.856 54.928 53.050 0.037 0.000 0.856 347 N CB -0.693 37.810 38.487 0.027 0.000 1.023 347 N HN 0.435 nan 8.380 nan 0.000 0.424 348 D N 0.081 120.502 120.400 0.036 0.000 2.123 348 D HA -0.060 4.580 4.640 -0.000 0.000 0.196 348 D C 1.767 178.098 176.300 0.053 0.000 0.992 348 D CA 1.488 55.510 54.000 0.037 0.000 0.833 348 D CB -0.114 40.703 40.800 0.029 0.000 0.954 348 D HN 0.289 nan 8.370 nan 0.000 0.455 349 A N -0.263 122.592 122.820 0.059 0.000 1.877 349 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 349 A C 2.466 180.107 177.584 0.094 0.000 1.186 349 A CA 1.665 53.746 52.037 0.074 0.000 0.620 349 A CB -0.862 18.173 19.000 0.059 0.000 0.822 349 A HN 0.221 nan 8.150 nan 0.000 0.443 350 V N 0.039 120.008 119.914 0.092 0.000 2.358 350 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 350 V C 2.595 178.753 176.094 0.107 0.000 1.047 350 V CA 2.075 64.448 62.300 0.122 0.000 1.035 350 V CB -0.871 31.013 31.823 0.103 0.000 0.658 350 V HN 0.505 nan 8.190 nan 0.000 0.452 351 R N -0.093 120.451 120.500 0.075 0.000 2.091 351 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 351 R C 2.543 178.881 176.300 0.063 0.000 1.136 351 R CA 1.676 57.809 56.100 0.056 0.000 0.959 351 R CB -0.363 29.959 30.300 0.037 0.000 0.856 351 R HN 0.473 nan 8.270 nan 0.000 0.437 352 R N -0.753 119.801 120.500 0.089 0.000 2.092 352 R HA -0.106 4.234 4.340 -0.000 0.000 0.231 352 R C 2.036 178.464 176.300 0.215 0.000 1.119 352 R CA 1.217 57.388 56.100 0.118 0.000 0.970 352 R CB -0.220 30.157 30.300 0.129 0.000 0.864 352 R HN 0.155 nan 8.270 nan 0.000 0.440 353 F N 1.057 120.956 119.950 -0.085 0.000 2.179 353 F HA 0.029 4.556 4.527 -0.000 0.000 0.292 353 F C 1.791 177.456 175.800 -0.226 0.000 1.089 353 F CA 0.948 58.707 58.000 -0.402 0.000 1.295 353 F CB -0.290 38.380 39.000 -0.550 0.000 1.041 353 F HN -0.135 nan 8.300 nan 0.000 0.487 354 L N 0.094 121.221 121.223 -0.160 0.000 2.042 354 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 354 L C 2.693 179.514 176.870 -0.081 0.000 1.076 354 L CA 1.711 56.457 54.840 -0.157 0.000 0.749 354 L CB -0.712 41.345 42.059 -0.004 0.000 0.893 354 L HN 0.111 nan 8.230 nan 0.000 0.432 355 R N 0.104 120.598 120.500 -0.010 0.000 2.117 355 R HA -0.223 4.117 4.340 -0.000 0.000 0.243 355 R C 2.254 178.587 176.300 0.055 0.000 1.143 355 R CA 1.613 57.735 56.100 0.037 0.000 0.968 355 R CB -0.173 30.155 30.300 0.048 0.000 0.863 355 R HN 0.390 nan 8.270 nan 0.000 0.444 356 A N 0.912 123.751 122.820 0.032 0.000 1.854 356 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 356 A C 1.933 179.508 177.584 -0.015 0.000 1.192 356 A CA 1.293 53.365 52.037 0.059 0.000 0.611 356 A CB -0.291 18.825 19.000 0.192 0.000 0.832 356 A HN 0.266 nan 8.150 nan 0.000 0.442 357 K N -0.387 119.877 120.400 -0.227 0.000 2.002 357 K HA -0.083 4.237 4.320 -0.000 0.000 0.209 357 K C 1.925 178.563 176.600 0.064 0.000 1.048 357 K CA 1.607 57.782 56.287 -0.187 0.000 0.930 357 K CB -0.446 31.780 32.500 -0.456 0.000 0.714 357 K HN 0.503 nan 8.250 nan 0.000 0.438 358 I N 0.630 121.238 120.570 0.063 0.000 2.142 358 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 358 I C 2.772 178.990 176.117 0.168 0.000 1.078 358 I CA 1.183 62.595 61.300 0.187 0.000 1.343 358 I CB -0.197 37.926 38.000 0.206 0.000 1.046 358 I HN 0.156 nan 8.210 nan 0.000 0.405 359 R N -0.060 120.523 120.500 0.139 0.000 2.115 359 R HA -0.245 4.095 4.340 -0.000 0.000 0.230 359 R C 2.243 178.610 176.300 0.111 0.000 1.111 359 R CA 1.562 57.741 56.100 0.132 0.000 0.976 359 R CB -0.389 30.010 30.300 0.165 0.000 0.870 359 R HN 0.449 nan 8.270 nan 0.000 0.445 360 W N -0.064 121.215 121.300 -0.035 0.000 2.342 360 W HA -0.129 4.531 4.660 -0.001 0.000 0.297 360 W C 0.863 177.370 176.519 -0.020 0.000 1.213 360 W CA 2.254 59.561 57.345 -0.064 0.000 1.251 360 W CB 0.054 29.465 29.460 -0.081 0.000 1.136 360 W HN 0.319 nan 8.180 nan 0.000 0.526 361 G N -1.318 107.509 108.800 0.045 0.000 2.174 361 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.140 361 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.140 361 G C 0.534 175.511 174.900 0.128 0.000 1.031 361 G CA -0.152 44.897 45.100 -0.084 0.000 0.728 361 G HN 0.220 nan 8.290 nan 0.000 0.496 362 V N -0.094 120.000 119.914 0.301 0.000 2.380 362 V HA -0.142 3.978 4.120 -0.000 0.000 0.251 362 V C 2.378 178.472 176.094 0.001 0.000 1.063 362 V CA 2.822 65.239 62.300 0.194 0.000 1.055 362 V CB -0.483 31.336 31.823 -0.006 0.000 0.657 362 V HN 0.467 nan 8.190 nan 0.000 0.455 363 F N 0.052 120.089 119.950 0.144 0.000 2.387 363 F HA -0.047 4.480 4.527 0.000 0.000 0.294 363 F C 2.564 178.421 175.800 0.094 0.000 1.093 363 F CA 1.378 59.445 58.000 0.111 0.000 1.420 363 F CB -0.865 38.172 39.000 0.061 0.000 1.086 363 F HN 0.280 nan 8.300 nan 0.000 0.531 364 T N -2.069 112.616 114.554 0.217 0.000 2.809 364 T HA -0.024 4.326 4.350 -0.000 0.000 0.260 364 T C 1.023 175.766 174.700 0.071 0.000 1.039 364 T CA 0.331 62.498 62.100 0.111 0.000 1.141 364 T CB -0.389 68.506 68.868 0.045 0.000 0.869 364 T HN -0.060 nan 8.240 nan 0.000 0.437 365 K N 2.547 122.972 120.400 0.041 0.000 2.355 365 K HA 0.297 4.617 4.320 -0.000 0.000 0.270 365 K C 0.754 177.401 176.600 0.077 0.000 1.003 365 K CA -0.116 56.185 56.287 0.022 0.000 0.957 365 K CB 0.808 33.300 32.500 -0.013 0.000 0.939 365 K HN 0.542 nan 8.250 nan 0.000 0.482 366 S N 1.665 117.371 115.700 0.011 0.000 2.521 366 S HA 0.164 4.634 4.470 -0.000 0.000 0.278 366 S C -0.135 174.246 174.600 -0.364 0.000 1.140 366 S CA -0.831 57.356 58.200 -0.022 0.000 1.028 366 S CB 0.217 63.419 63.200 0.003 0.000 1.203 366 S HN 0.621 nan 8.310 nan 0.000 0.491 367 K N 1.090 121.213 120.400 -0.462 0.000 2.448 367 K HA 0.140 4.460 4.320 -0.000 0.000 0.278 367 K C -2.240 174.131 176.600 -0.382 0.000 1.009 367 K CA -0.897 54.909 56.287 -0.801 0.000 0.995 367 K CB -0.164 32.175 32.500 -0.267 0.000 0.917 367 K HN 0.101 nan 8.250 nan 0.000 0.481 368 P HA -0.322 nan 4.420 nan 0.000 0.219 368 P C 1.387 178.709 177.300 0.037 0.000 1.161 368 P CA 2.403 65.495 63.100 -0.014 0.000 0.909 368 P CB -0.072 31.703 31.700 0.126 0.000 0.793 369 S N -1.534 114.190 115.700 0.041 0.000 2.547 369 S HA 0.019 4.489 4.470 -0.000 0.000 0.235 369 S C 1.718 176.325 174.600 0.013 0.000 0.980 369 S CA 0.905 59.136 58.200 0.052 0.000 0.941 369 S CB -0.953 62.290 63.200 0.072 0.000 0.763 369 S HN 0.153 nan 8.310 nan 0.000 0.532 370 A N 0.741 123.553 122.820 -0.013 0.000 2.348 370 A HA 0.397 4.717 4.320 -0.000 0.000 0.224 370 A C 0.930 178.504 177.584 -0.015 0.000 1.227 370 A CA -0.583 51.443 52.037 -0.018 0.000 0.885 370 A CB 0.001 18.987 19.000 -0.022 0.000 0.933 370 A HN 0.476 nan 8.150 nan 0.000 0.506 371 R N 0.336 120.836 120.500 0.001 0.000 2.490 371 R HA 0.262 4.602 4.340 -0.000 0.000 0.280 371 R C -1.801 174.511 176.300 0.020 0.000 1.077 371 R CA -1.736 54.376 56.100 0.019 0.000 1.065 371 R CB 0.377 30.718 30.300 0.067 0.000 1.003 371 R HN 0.012 nan 8.270 nan 0.000 0.470 372 P HA -0.246 nan 4.420 nan 0.000 0.216 372 P C 0.695 178.047 177.300 0.086 0.000 1.150 372 P CA 1.337 64.458 63.100 0.034 0.000 0.843 372 P CB 0.154 31.884 31.700 0.051 0.000 0.787 373 E N -0.870 119.418 120.200 0.148 0.000 2.502 373 E HA 0.020 4.370 4.350 -0.000 0.000 0.194 373 E C 0.752 177.461 176.600 0.182 0.000 1.062 373 E CA 0.686 57.250 56.400 0.274 0.000 0.867 373 E CB -0.657 29.270 29.700 0.377 0.000 0.888 373 E HN 0.144 nan 8.360 nan 0.000 0.510 374 S N 1.197 116.943 115.700 0.077 0.000 2.605 374 S HA 0.083 4.553 4.470 -0.000 0.000 0.217 374 S C 0.818 175.351 174.600 -0.112 0.000 0.958 374 S CA -0.136 58.080 58.200 0.027 0.000 0.919 374 S CB 0.245 63.482 63.200 0.062 0.000 0.780 374 S HN 0.162 nan 8.310 nan 0.000 0.507 375 Q N 1.123 120.756 119.800 -0.279 0.000 2.204 375 Q HA 0.181 4.521 4.340 -0.000 0.000 0.209 375 Q C -0.454 175.030 176.000 -0.860 0.000 0.861 375 Q CA 0.188 55.702 55.803 -0.482 0.000 0.971 375 Q CB -0.005 28.447 28.738 -0.477 0.000 1.095 375 Q HN 0.630 nan 8.270 nan 0.000 0.486 376 H N 0.374 119.106 119.070 -0.564 0.000 2.380 376 H HA 0.178 4.734 4.556 -0.000 0.000 0.231 376 H C -1.800 173.253 175.328 -0.458 0.000 1.415 376 H CA -1.547 54.049 56.048 -0.752 0.000 1.433 376 H CB 1.163 29.841 29.762 -1.808 0.000 1.544 376 H HN -0.032 nan 8.280 nan 0.000 0.503 377 P HA -0.181 nan 4.420 nan 0.000 0.219 377 P C 1.321 178.633 177.300 0.020 0.000 1.146 377 P CA 1.072 64.155 63.100 -0.028 0.000 0.808 377 P CB 0.454 32.142 31.700 -0.020 0.000 0.779 378 Q N -1.899 117.894 119.800 -0.011 0.000 2.291 378 Q HA -0.150 4.190 4.340 -0.000 0.000 0.206 378 Q C 1.925 177.998 176.000 0.121 0.000 0.976 378 Q CA 0.929 56.751 55.803 0.031 0.000 0.875 378 Q CB -0.364 28.381 28.738 0.013 0.000 0.927 378 Q HN 0.341 nan 8.270 nan 0.000 0.450 379 W N 0.717 122.012 121.300 -0.009 0.000 2.350 379 W HA -0.088 4.572 4.660 0.000 0.000 0.289 379 W C 1.005 177.515 176.519 -0.014 0.000 1.215 379 W CA 0.326 57.650 57.345 -0.035 0.000 1.236 379 W CB -0.518 28.990 29.460 0.079 0.000 1.130 379 W HN 0.093 nan 8.180 nan 0.000 0.541 380 L N 1.480 122.841 121.223 0.230 0.000 2.456 380 L HA 0.250 4.590 4.340 -0.000 0.000 0.277 380 L C 1.206 178.100 176.870 0.040 0.000 1.124 380 L CA 1.333 56.243 54.840 0.116 0.000 0.880 380 L CB -0.339 41.746 42.059 0.045 0.000 1.192 380 L HN 0.428 nan 8.230 nan 0.000 0.463 381 G N 4.069 112.886 108.800 0.027 0.000 2.221 381 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.265 381 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.265 381 G C 0.551 175.407 174.900 -0.073 0.000 1.041 381 G CA 0.284 45.360 45.100 -0.039 0.000 0.807 381 G HN 1.206 nan 8.290 nan 0.000 0.502 382 A N -0.348 122.388 122.820 -0.140 0.000 2.498 382 A HA 0.745 5.065 4.320 -0.000 0.000 0.239 382 A C 1.840 179.309 177.584 -0.192 0.000 1.068 382 A CA 0.948 52.835 52.037 -0.249 0.000 0.766 382 A CB 0.273 18.907 19.000 -0.609 0.000 1.003 382 A HN 1.880 nan 8.150 nan 0.000 0.497 383 A N 1.120 123.869 122.820 -0.119 0.000 1.917 383 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 383 A C 1.920 179.469 177.584 -0.058 0.000 1.182 383 A CA 2.001 53.993 52.037 -0.075 0.000 0.633 383 A CB -0.588 18.383 19.000 -0.048 0.000 0.819 383 A HN 0.975 nan 8.150 nan 0.000 0.448 384 E N -0.893 119.265 120.200 -0.070 0.000 2.153 384 E HA -0.240 4.109 4.350 -0.000 0.000 0.194 384 E C 1.671 178.345 176.600 0.123 0.000 0.988 384 E CA 1.310 57.715 56.400 0.008 0.000 0.811 384 E CB -0.206 29.504 29.700 0.018 0.000 0.746 384 E HN 0.910 nan 8.360 nan 0.000 0.466 385 H N -0.836 118.228 119.070 -0.010 0.000 2.436 385 H HA 0.087 4.643 4.556 0.001 0.000 0.294 385 H C 2.218 177.485 175.328 -0.101 0.000 1.048 385 H CA 0.395 56.444 56.048 0.001 0.000 1.353 385 H CB 0.251 30.027 29.762 0.023 0.000 1.414 385 H HN 0.062 nan 8.280 nan 0.000 0.536 386 R N 0.385 120.871 120.500 -0.024 0.000 2.090 386 R HA -0.054 4.286 4.340 -0.000 0.000 0.228 386 R C 2.073 178.326 176.300 -0.078 0.000 1.110 386 R CA 1.487 57.519 56.100 -0.114 0.000 0.973 386 R CB -0.508 29.726 30.300 -0.110 0.000 0.869 386 R HN 0.211 nan 8.270 nan 0.000 0.440 387 T N 2.518 117.054 114.554 -0.030 0.000 2.635 387 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 387 T C 1.841 176.539 174.700 -0.003 0.000 1.040 387 T CA 1.491 63.581 62.100 -0.018 0.000 1.156 387 T CB -0.307 68.564 68.868 0.006 0.000 0.863 387 T HN 0.110 nan 8.240 nan 0.000 0.430 388 L N 1.510 122.763 121.223 0.050 0.000 2.017 388 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 388 L C 2.655 179.590 176.870 0.108 0.000 1.073 388 L CA 2.083 56.982 54.840 0.097 0.000 0.745 388 L CB -1.162 41.008 42.059 0.185 0.000 0.894 388 L HN 0.232 nan 8.230 nan 0.000 0.432 389 A N -0.348 122.500 122.820 0.047 0.000 1.892 389 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 389 A C 2.573 180.129 177.584 -0.046 0.000 1.188 389 A CA 2.096 54.099 52.037 -0.057 0.000 0.631 389 A CB -0.755 17.986 19.000 -0.431 0.000 0.822 389 A HN 0.539 nan 8.150 nan 0.000 0.447 390 R N -0.507 119.940 120.500 -0.088 0.000 2.081 390 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 390 R C 2.295 178.512 176.300 -0.139 0.000 1.131 390 R CA 1.700 57.728 56.100 -0.119 0.000 0.960 390 R CB -0.297 29.927 30.300 -0.128 0.000 0.856 390 R HN 0.764 nan 8.270 nan 0.000 0.436 391 E N -0.156 119.981 120.200 -0.105 0.000 2.058 391 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 391 E C 1.755 178.318 176.600 -0.062 0.000 0.997 391 E CA 1.447 57.782 56.400 -0.108 0.000 0.801 391 E CB -0.129 29.544 29.700 -0.044 0.000 0.746 391 E HN 0.457 nan 8.360 nan 0.000 0.450 392 A N 0.549 123.372 122.820 0.006 0.000 1.902 392 A HA -0.142 4.177 4.320 -0.000 0.000 0.217 392 A C 2.422 180.036 177.584 0.050 0.000 1.181 392 A CA 1.523 53.593 52.037 0.055 0.000 0.623 392 A CB -0.695 18.389 19.000 0.139 0.000 0.818 392 A HN 0.230 nan 8.150 nan 0.000 0.443 393 V N 0.206 120.127 119.914 0.011 0.000 2.233 393 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 393 V C 2.606 178.682 176.094 -0.030 0.000 1.050 393 V CA 2.376 64.677 62.300 0.001 0.000 1.010 393 V CB -0.903 30.888 31.823 -0.053 0.000 0.637 393 V HN 0.557 nan 8.190 nan 0.000 0.444 394 R N 0.137 120.560 120.500 -0.129 0.000 2.139 394 R HA -0.186 4.154 4.340 -0.000 0.000 0.243 394 R C 2.238 178.479 176.300 -0.099 0.000 1.145 394 R CA 1.474 57.454 56.100 -0.199 0.000 0.976 394 R CB -0.344 29.725 30.300 -0.385 0.000 0.866 394 R HN 0.518 nan 8.270 nan 0.000 0.449 395 K N 0.072 120.455 120.400 -0.028 0.000 2.418 395 K HA 0.003 4.323 4.320 -0.000 0.000 0.195 395 K C 1.996 178.669 176.600 0.121 0.000 1.035 395 K CA 1.100 57.410 56.287 0.038 0.000 1.003 395 K CB 0.338 32.860 32.500 0.038 0.000 0.793 395 K HN 0.178 nan 8.250 nan 0.000 0.494 396 S N 0.480 116.277 115.700 0.162 0.000 2.470 396 S HA 0.091 4.561 4.470 -0.000 0.000 0.222 396 S C 0.891 175.752 174.600 0.435 0.000 1.024 396 S CA -0.320 58.059 58.200 0.297 0.000 0.931 396 S CB -0.297 63.094 63.200 0.319 0.000 0.791 396 S HN 0.053 nan 8.310 nan 0.000 0.513 397 L N 2.420 123.815 121.223 0.287 0.000 2.485 397 L HA 0.339 4.679 4.340 -0.000 0.000 0.275 397 L C -0.606 176.475 176.870 0.352 0.000 1.207 397 L CA -0.478 54.530 54.840 0.281 0.000 0.855 397 L CB 0.438 42.636 42.059 0.231 0.000 1.114 397 L HN 0.061 nan 8.230 nan 0.000 0.485 398 V N 4.014 124.051 119.914 0.206 0.000 2.483 398 V HA 0.234 4.354 4.120 -0.000 0.000 0.297 398 V C -0.236 175.727 176.094 -0.217 0.000 1.027 398 V CA -0.546 61.804 62.300 0.084 0.000 0.855 398 V CB 1.942 33.913 31.823 0.246 0.000 0.995 398 V HN 0.430 nan 8.190 nan 0.000 0.424 399 L N 5.815 126.710 121.223 -0.547 0.000 2.295 399 L HA 0.377 4.717 4.340 -0.000 0.000 0.288 399 L C 0.714 177.261 176.870 -0.538 0.000 1.079 399 L CA 0.663 55.001 54.840 -0.837 0.000 0.830 399 L CB 0.417 41.583 42.059 -1.488 0.000 1.200 399 L HN 0.611 nan 8.230 nan 0.000 0.438 400 L N 3.337 124.294 121.223 -0.442 0.000 2.249 400 L HA 0.195 4.535 4.340 -0.000 0.000 0.207 400 L C 0.743 177.300 176.870 -0.520 0.000 1.090 400 L CA 0.359 54.843 54.840 -0.593 0.000 0.802 400 L CB -0.097 41.464 42.059 -0.830 0.000 0.947 400 L HN 0.570 nan 8.230 nan 0.000 0.453 401 K N 0.218 120.430 120.400 -0.313 0.000 2.535 401 K HA 0.235 4.555 4.320 -0.000 0.000 0.251 401 K C -1.261 175.259 176.600 -0.133 0.000 0.942 401 K CA -0.437 55.741 56.287 -0.180 0.000 0.798 401 K CB 1.773 34.194 32.500 -0.132 0.000 1.267 401 K HN -0.240 nan 8.250 nan 0.000 0.434 402 N N 3.099 121.741 118.700 -0.095 0.000 2.711 402 N HA 0.191 4.931 4.740 -0.000 0.000 0.263 402 N C -1.642 173.853 175.510 -0.026 0.000 1.667 402 N CA -0.479 52.541 53.050 -0.050 0.000 0.785 402 N CB 0.325 38.792 38.487 -0.033 0.000 1.231 402 N HN 0.547 nan 8.380 nan 0.000 0.503 403 N N 1.497 120.181 118.700 -0.026 0.000 2.447 403 N HA 0.019 4.759 4.740 -0.000 0.000 0.263 403 N C -0.155 175.344 175.510 -0.018 0.000 1.226 403 N CA 0.772 53.810 53.050 -0.020 0.000 0.906 403 N CB 0.233 38.707 38.487 -0.021 0.000 1.060 403 N HN 0.343 nan 8.380 nan 0.000 0.468 404 E N 0.304 120.495 120.200 -0.016 0.000 2.637 404 E HA -0.255 4.095 4.350 -0.000 0.000 0.265 404 E C -0.806 175.780 176.600 -0.024 0.000 1.073 404 E CA 0.538 56.927 56.400 -0.018 0.000 0.778 404 E CB -1.809 27.879 29.700 -0.020 0.000 1.362 404 E HN 0.609 nan 8.360 nan 0.000 0.413 405 S N -0.909 114.779 115.700 -0.020 0.000 3.367 405 S HA -0.268 4.202 4.470 -0.000 0.000 0.375 405 S C 1.057 175.622 174.600 -0.057 0.000 0.962 405 S CA 0.865 59.047 58.200 -0.031 0.000 1.229 405 S CB -1.137 62.043 63.200 -0.034 0.000 0.905 405 S HN 0.590 nan 8.310 nan 0.000 0.482 406 I N -0.338 120.208 120.570 -0.040 0.000 2.454 406 I HA -0.054 4.116 4.170 -0.000 0.000 0.254 406 I C 0.601 176.681 176.117 -0.061 0.000 1.156 406 I CA 1.377 62.651 61.300 -0.043 0.000 1.433 406 I CB 0.138 38.123 38.000 -0.025 0.000 1.082 406 I HN 0.387 nan 8.210 nan 0.000 0.432 407 L N 2.987 124.176 121.223 -0.058 0.000 2.307 407 L HA 0.415 4.755 4.340 -0.000 0.000 0.282 407 L C -2.211 174.355 176.870 -0.508 0.000 1.051 407 L CA -1.962 52.816 54.840 -0.104 0.000 0.804 407 L CB 1.078 43.251 42.059 0.190 0.000 1.197 407 L HN -0.037 nan 8.230 nan 0.000 0.431 408 P HA 0.262 nan 4.420 nan 0.000 0.278 408 P C -0.752 176.451 177.300 -0.162 0.000 1.258 408 P CA -0.437 62.462 63.100 -0.336 0.000 0.811 408 P CB 1.289 32.795 31.700 -0.324 0.000 1.063 409 I N 0.882 121.410 120.570 -0.069 0.000 2.342 409 I HA 0.207 4.377 4.170 -0.000 0.000 0.291 409 I C 1.245 177.333 176.117 -0.049 0.000 1.010 409 I CA -0.634 60.636 61.300 -0.050 0.000 1.308 409 I CB 0.541 38.528 38.000 -0.022 0.000 1.400 409 I HN 0.219 nan 8.210 nan 0.000 0.488 410 K N 4.623 124.992 120.400 -0.052 0.000 2.472 410 K HA 0.069 4.389 4.320 -0.000 0.000 0.280 410 K C 1.020 177.601 176.600 -0.032 0.000 1.028 410 K CA 0.088 56.349 56.287 -0.043 0.000 1.045 410 K CB 0.795 33.270 32.500 -0.042 0.000 0.902 410 K HN 0.802 nan 8.250 nan 0.000 0.478 411 A N 2.793 125.597 122.820 -0.028 0.000 2.121 411 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 411 A C 1.694 179.264 177.584 -0.022 0.000 1.154 411 A CA 1.617 53.639 52.037 -0.024 0.000 0.679 411 A CB -0.258 18.728 19.000 -0.022 0.000 0.795 411 A HN 0.789 nan 8.150 nan 0.000 0.458 412 S N -0.407 115.279 115.700 -0.022 0.000 2.562 412 S HA 0.115 4.585 4.470 -0.000 0.000 0.221 412 S C 0.978 175.567 174.600 -0.017 0.000 0.975 412 S CA 0.332 58.520 58.200 -0.019 0.000 0.918 412 S CB -0.268 62.921 63.200 -0.020 0.000 0.772 412 S HN 0.348 nan 8.310 nan 0.000 0.531 413 S N 1.780 117.468 115.700 -0.019 0.000 2.634 413 S HA 0.290 4.760 4.470 -0.000 0.000 0.254 413 S C 0.266 174.858 174.600 -0.013 0.000 1.299 413 S CA -0.618 57.571 58.200 -0.019 0.000 0.974 413 S CB 0.302 63.487 63.200 -0.024 0.000 1.001 413 S HN 0.556 nan 8.310 nan 0.000 0.584 414 R N 0.799 121.290 120.500 -0.015 0.000 2.215 414 R HA 0.502 4.842 4.340 -0.000 0.000 0.336 414 R C -1.191 175.100 176.300 -0.015 0.000 0.996 414 R CA -0.142 55.952 56.100 -0.010 0.000 0.847 414 R CB -0.084 30.209 30.300 -0.013 0.000 1.127 414 R HN 0.525 nan 8.270 nan 0.000 0.465 415 I N 5.063 125.634 120.570 0.002 0.000 2.562 415 I HA 0.355 4.525 4.170 -0.000 0.000 0.301 415 I C -0.854 175.278 176.117 0.025 0.000 1.003 415 I CA -1.393 59.911 61.300 0.007 0.000 1.127 415 I CB 1.928 39.941 38.000 0.022 0.000 1.304 415 I HN 0.502 nan 8.210 nan 0.000 0.446 416 L N 6.872 128.099 121.223 0.008 0.000 2.333 416 L HA 0.628 4.968 4.340 -0.000 0.000 0.280 416 L C -1.044 175.849 176.870 0.039 0.000 1.004 416 L CA -0.352 54.502 54.840 0.023 0.000 0.820 416 L CB 1.762 43.808 42.059 -0.023 0.000 1.247 416 L HN 0.317 nan 8.230 nan 0.000 0.416 417 V N 5.078 125.033 119.914 0.068 0.000 2.398 417 V HA 0.955 5.075 4.120 -0.000 0.000 0.286 417 V C 0.370 176.466 176.094 0.003 0.000 1.026 417 V CA 0.218 62.559 62.300 0.068 0.000 0.868 417 V CB 0.563 32.505 31.823 0.199 0.000 0.982 417 V HN 1.077 nan 8.190 nan 0.000 0.443 418 A N 3.203 126.030 122.820 0.011 0.000 2.507 418 A HA 1.061 5.381 4.320 -0.000 0.000 0.284 418 A C 0.159 177.755 177.584 0.020 0.000 1.281 418 A CA -0.401 51.640 52.037 0.007 0.000 0.744 418 A CB 1.326 20.341 19.000 0.026 0.000 1.332 418 A HN 2.300 nan 8.150 nan 0.000 0.454 419 G N -0.852 107.973 108.800 0.042 0.000 2.721 419 G HA2 -0.005 3.954 3.960 -0.000 0.000 0.686 419 G HA3 -0.005 3.954 3.960 -0.000 0.000 0.686 419 G C 0.030 174.960 174.900 0.048 0.000 1.236 419 G CA 0.309 45.450 45.100 0.068 0.000 0.786 419 G HN 0.964 nan 8.290 nan 0.000 0.616 420 K N 0.814 121.255 120.400 0.069 0.000 2.160 420 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 420 K C 2.690 179.298 176.600 0.013 0.000 1.047 420 K CA 2.553 58.861 56.287 0.035 0.000 0.930 420 K CB -0.474 32.046 32.500 0.034 0.000 0.720 420 K HN 0.907 nan 8.250 nan 0.000 0.450 421 G N -0.505 108.306 108.800 0.017 0.000 2.534 421 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.217 421 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.217 421 G C 1.483 176.375 174.900 -0.012 0.000 1.128 421 G CA 0.666 45.759 45.100 -0.012 0.000 0.784 421 G HN 0.348 nan 8.290 nan 0.000 0.542 422 A N 1.215 124.035 122.820 0.001 0.000 1.873 422 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 422 A C 1.930 179.547 177.584 0.055 0.000 1.193 422 A CA 1.949 53.999 52.037 0.021 0.000 0.629 422 A CB -0.306 18.687 19.000 -0.012 0.000 0.826 422 A HN 0.410 nan 8.150 nan 0.000 0.447 423 N N -1.290 117.418 118.700 0.013 0.000 2.282 423 N HA 0.389 5.129 4.740 -0.000 0.000 0.240 423 N C -0.551 174.968 175.510 0.015 0.000 1.182 423 N CA 0.582 53.660 53.050 0.047 0.000 0.874 423 N CB 0.462 38.952 38.487 0.004 0.000 1.126 423 N HN 0.349 nan 8.380 nan 0.000 0.516 424 A N 0.652 123.463 122.820 -0.014 0.000 2.394 424 A HA 0.405 4.725 4.320 -0.000 0.000 0.333 424 A C 0.928 178.455 177.584 -0.096 0.000 1.397 424 A CA -0.508 51.510 52.037 -0.032 0.000 0.884 424 A CB -0.234 18.752 19.000 -0.023 0.000 1.147 424 A HN 0.345 nan 8.150 nan 0.000 0.505 425 I N 1.660 122.141 120.570 -0.148 0.000 2.493 425 I HA -0.217 3.953 4.170 -0.000 0.000 0.254 425 I C 2.431 178.243 176.117 -0.508 0.000 1.160 425 I CA 1.223 62.297 61.300 -0.377 0.000 1.445 425 I CB -0.150 37.527 38.000 -0.538 0.000 1.086 425 I HN 0.832 nan 8.210 nan 0.000 0.433 426 N N 1.586 120.153 118.700 -0.222 0.000 2.309 426 N HA -0.200 4.540 4.740 -0.000 0.000 0.182 426 N C 1.667 177.111 175.510 -0.110 0.000 1.018 426 N CA 1.526 54.540 53.050 -0.061 0.000 0.876 426 N CB -0.397 38.174 38.487 0.139 0.000 0.972 426 N HN 0.381 nan 8.380 nan 0.000 0.434 427 M N 0.418 119.945 119.600 -0.122 0.000 2.236 427 M HA -0.059 4.421 4.480 -0.000 0.000 0.266 427 M C 2.183 178.390 176.300 -0.157 0.000 1.070 427 M CA 1.206 56.433 55.300 -0.122 0.000 1.137 427 M CB -0.128 32.421 32.600 -0.085 0.000 1.378 427 M HN 0.320 nan 8.290 nan 0.000 0.426 428 Q N -0.389 119.305 119.800 -0.177 0.000 2.451 428 Q HA 0.068 4.408 4.340 -0.000 0.000 0.206 428 Q C 1.418 177.323 176.000 -0.159 0.000 0.947 428 Q CA 1.046 56.752 55.803 -0.162 0.000 0.937 428 Q CB 0.035 28.677 28.738 -0.160 0.000 1.025 428 Q HN 0.419 nan 8.270 nan 0.000 0.511 429 A N 0.916 123.621 122.820 -0.193 0.000 2.035 429 A HA 0.499 4.819 4.320 -0.000 0.000 0.208 429 A C 1.243 178.810 177.584 -0.030 0.000 1.206 429 A CA 0.732 52.705 52.037 -0.106 0.000 0.773 429 A CB -0.271 18.622 19.000 -0.179 0.000 0.878 429 A HN 0.594 nan 8.150 nan 0.000 0.469 430 G N -1.168 107.545 108.800 -0.145 0.000 2.645 430 G HA2 0.180 4.140 3.960 -0.000 0.000 0.246 430 G HA3 0.180 4.140 3.960 -0.000 0.000 0.246 430 G C 0.643 175.421 174.900 -0.203 0.000 1.322 430 G CA -0.179 44.726 45.100 -0.325 0.000 0.898 430 G HN 1.457 nan 8.290 nan 0.000 0.573 431 G N -2.896 105.666 108.800 -0.397 0.000 2.683 431 G HA2 0.457 4.417 3.960 -0.000 0.000 0.260 431 G HA3 0.457 4.417 3.960 -0.000 0.000 0.260 431 G C 0.511 175.497 174.900 0.142 0.000 1.238 431 G CA 0.658 45.599 45.100 -0.266 0.000 0.934 431 G HN 1.840 nan 8.290 nan 0.000 0.534 432 W N -1.327 120.053 121.300 0.133 0.000 5.121 432 W HA -0.168 4.492 4.660 -0.001 0.000 0.372 432 W C 0.386 177.140 176.519 0.393 0.000 1.394 432 W CA 0.524 58.046 57.345 0.295 0.000 0.885 432 W CB -1.910 27.763 29.460 0.356 0.000 2.520 432 W HN 0.457 nan 8.180 nan 0.000 1.455 433 S N -0.292 115.658 115.700 0.416 0.000 2.745 433 S HA 0.453 4.923 4.470 -0.000 0.000 0.283 433 S C 0.780 175.513 174.600 0.222 0.000 1.170 433 S CA -0.305 58.134 58.200 0.397 0.000 1.119 433 S CB 1.963 65.436 63.200 0.456 0.000 1.035 433 S HN 0.330 nan 8.310 nan 0.000 0.483 434 V N 1.479 121.480 119.914 0.146 0.000 0.540 434 V HA -0.329 3.791 4.120 -0.000 0.000 0.092 434 V C 1.142 177.269 176.094 0.055 0.000 2.123 434 V CA 2.245 64.571 62.300 0.044 0.000 3.520 434 V CB -2.103 29.640 31.823 -0.133 0.000 0.812 434 V HN 0.925 nan 8.190 nan 0.000 0.847 435 S N -0.978 114.740 115.700 0.030 0.000 2.690 435 S HA 0.472 4.942 4.470 -0.000 0.000 0.291 435 S C -0.162 174.437 174.600 -0.002 0.000 1.138 435 S CA 0.112 58.319 58.200 0.012 0.000 1.013 435 S CB 2.046 65.224 63.200 -0.037 0.000 1.053 435 S HN 0.678 nan 8.310 nan 0.000 0.539 436 W N 1.171 122.292 121.300 -0.298 0.000 2.409 436 W HA 0.048 4.707 4.660 -0.001 0.000 0.299 436 W C 2.001 178.125 176.519 -0.660 0.000 1.203 436 W CA 1.546 58.540 57.345 -0.585 0.000 1.298 436 W CB -0.375 28.687 29.460 -0.663 0.000 1.127 436 W HN 0.665 nan 8.180 nan 0.000 0.528 437 Q N -0.545 118.823 119.800 -0.721 0.000 2.204 437 Q HA 0.183 4.523 4.340 -0.000 0.000 0.198 437 Q C 2.018 177.751 176.000 -0.446 0.000 0.946 437 Q CA 1.673 56.967 55.803 -0.849 0.000 0.859 437 Q CB -0.557 27.620 28.738 -0.936 0.000 0.946 437 Q HN 0.459 nan 8.270 nan 0.000 0.474 438 G N 0.179 108.823 108.800 -0.259 0.000 2.176 438 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.253 438 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.253 438 G C 1.060 175.913 174.900 -0.078 0.000 0.979 438 G CA 0.927 45.965 45.100 -0.103 0.000 0.641 438 G HN 0.356 nan 8.290 nan 0.000 0.530 439 T N 0.445 114.920 114.554 -0.132 0.000 2.833 439 T HA 0.024 4.374 4.350 -0.000 0.000 0.269 439 T C 1.321 175.998 174.700 -0.039 0.000 1.054 439 T CA 1.612 63.663 62.100 -0.081 0.000 1.135 439 T CB -0.111 68.700 68.868 -0.095 0.000 0.869 439 T HN 0.461 nan 8.240 nan 0.000 0.466 440 D N 1.011 121.386 120.400 -0.041 0.000 2.501 440 D HA 0.158 4.798 4.640 -0.000 0.000 0.226 440 D C -0.161 176.137 176.300 -0.004 0.000 1.198 440 D CA -0.180 53.809 54.000 -0.018 0.000 0.830 440 D CB 0.093 40.879 40.800 -0.024 0.000 1.014 440 D HN 0.233 nan 8.370 nan 0.000 0.496 441 N N 1.279 119.992 118.700 0.022 0.000 2.529 441 N HA 0.177 4.917 4.740 -0.000 0.000 0.278 441 N C 0.691 176.267 175.510 0.110 0.000 1.146 441 N CA 0.232 53.314 53.050 0.053 0.000 0.980 441 N CB 1.507 40.082 38.487 0.147 0.000 1.124 441 N HN 0.070 nan 8.380 nan 0.000 0.458 442 T N -1.655 112.960 114.554 0.102 0.000 2.841 442 T HA 0.355 4.705 4.350 -0.000 0.000 0.276 442 T C 0.957 175.796 174.700 0.231 0.000 1.003 442 T CA -0.651 61.527 62.100 0.131 0.000 0.995 442 T CB 0.738 69.649 68.868 0.071 0.000 1.260 442 T HN 0.147 nan 8.240 nan 0.000 0.581 443 N N 0.774 119.592 118.700 0.196 0.000 2.381 443 N HA -0.047 4.692 4.740 -0.000 0.000 0.182 443 N C 1.981 177.621 175.510 0.215 0.000 1.025 443 N CA 1.329 54.527 53.050 0.246 0.000 0.888 443 N CB -0.479 38.090 38.487 0.136 0.000 0.965 443 N HN 0.756 nan 8.380 nan 0.000 0.438 444 S N -0.562 115.216 115.700 0.131 0.000 2.522 444 S HA 0.022 4.492 4.470 -0.000 0.000 0.227 444 S C 1.049 175.709 174.600 0.100 0.000 0.986 444 S CA 0.422 58.686 58.200 0.108 0.000 0.929 444 S CB 0.089 63.340 63.200 0.084 0.000 0.769 444 S HN 0.054 nan 8.310 nan 0.000 0.529 445 D N 0.893 121.285 120.400 -0.014 0.000 2.363 445 D HA 0.111 4.751 4.640 -0.000 0.000 0.220 445 D C -0.593 175.376 176.300 -0.553 0.000 0.994 445 D CA 0.561 54.411 54.000 -0.250 0.000 0.890 445 D CB -0.100 40.387 40.800 -0.521 0.000 0.906 445 D HN 0.528 nan 8.370 nan 0.000 0.530 446 F N 1.251 121.186 119.950 -0.025 0.000 2.531 446 F HA 0.286 4.813 4.527 -0.001 0.000 0.333 446 F C -2.139 173.569 175.800 -0.155 0.000 1.292 446 F CA -2.110 55.819 58.000 -0.118 0.000 1.184 446 F CB 1.174 40.125 39.000 -0.082 0.000 1.426 446 F HN -0.262 nan 8.300 nan 0.000 0.559 447 P HA 0.196 nan 4.420 nan 0.000 0.275 447 P C -0.193 177.036 177.300 -0.118 0.000 1.228 447 P CA 0.167 63.192 63.100 -0.125 0.000 0.786 447 P CB 0.978 32.545 31.700 -0.221 0.000 0.927 448 N N -2.115 116.543 118.700 -0.070 0.000 2.955 448 N HA -0.202 4.538 4.740 -0.000 0.000 0.230 448 N C 0.174 175.642 175.510 -0.069 0.000 0.891 448 N CA 0.968 53.975 53.050 -0.073 0.000 1.002 448 N CB -1.692 36.737 38.487 -0.096 0.000 1.063 448 N HN 0.642 nan 8.380 nan 0.000 0.601 449 A N 0.884 123.678 122.820 -0.043 0.000 2.322 449 A HA 0.620 4.940 4.320 -0.000 0.000 0.269 449 A C 0.684 178.232 177.584 -0.061 0.000 1.094 449 A CA 0.694 52.694 52.037 -0.062 0.000 0.807 449 A CB 0.642 19.611 19.000 -0.051 0.000 1.047 449 A HN 0.335 nan 8.150 nan 0.000 0.487 450 T N -0.528 113.974 114.554 -0.088 0.000 2.848 450 T HA 0.598 4.948 4.350 -0.000 0.000 0.285 450 T C 0.075 174.722 174.700 -0.089 0.000 0.995 450 T CA 0.056 62.111 62.100 -0.075 0.000 0.970 450 T CB 0.918 69.738 68.868 -0.079 0.000 0.976 450 T HN 1.359 nan 8.240 nan 0.000 0.441 451 S N 3.611 119.276 115.700 -0.059 0.000 2.600 451 S HA 0.322 4.792 4.470 -0.000 0.000 0.265 451 S C 1.577 176.156 174.600 -0.034 0.000 1.325 451 S CA -0.896 57.276 58.200 -0.047 0.000 1.002 451 S CB 0.017 63.225 63.200 0.015 0.000 0.921 451 S HN 0.696 nan 8.310 nan 0.000 0.554 452 I N 0.321 120.878 120.570 -0.022 0.000 2.151 452 I HA -0.162 4.008 4.170 -0.000 0.000 0.243 452 I C 2.243 178.371 176.117 0.019 0.000 1.080 452 I CA 1.894 63.185 61.300 -0.015 0.000 1.339 452 I CB -0.468 37.525 38.000 -0.011 0.000 1.039 452 I HN 0.772 nan 8.210 nan 0.000 0.409 453 F N 1.129 121.052 119.950 -0.045 0.000 2.095 453 F HA -0.293 4.234 4.527 -0.000 0.000 0.298 453 F C 2.805 178.587 175.800 -0.029 0.000 1.104 453 F CA 1.994 59.975 58.000 -0.031 0.000 1.232 453 F CB -0.694 38.293 39.000 -0.023 0.000 0.987 453 F HN -0.018 nan 8.300 nan 0.000 0.475 454 S N 0.091 115.620 115.700 -0.286 0.000 2.370 454 S HA -0.131 4.339 4.470 -0.000 0.000 0.226 454 S C 2.382 176.794 174.600 -0.314 0.000 1.033 454 S CA 1.541 59.511 58.200 -0.382 0.000 1.011 454 S CB -1.355 61.778 63.200 -0.111 0.000 0.852 454 S HN 0.621 nan 8.310 nan 0.000 0.457 455 G N 1.209 109.891 108.800 -0.197 0.000 2.422 455 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.218 455 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.218 455 G C 1.427 176.226 174.900 -0.168 0.000 1.146 455 G CA 0.918 45.925 45.100 -0.154 0.000 0.769 455 G HN 0.523 nan 8.290 nan 0.000 0.547 456 L N -0.317 120.787 121.223 -0.199 0.000 2.044 456 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 456 L C 2.982 179.714 176.870 -0.228 0.000 1.075 456 L CA 1.285 56.025 54.840 -0.167 0.000 0.747 456 L CB -0.463 41.534 42.059 -0.104 0.000 0.903 456 L HN 0.224 nan 8.230 nan 0.000 0.435 457 Q N -0.036 119.498 119.800 -0.444 0.000 2.096 457 Q HA -0.265 4.075 4.340 -0.000 0.000 0.204 457 Q C 2.315 178.168 176.000 -0.244 0.000 0.982 457 Q CA 2.283 57.827 55.803 -0.432 0.000 0.850 457 Q CB -0.141 28.110 28.738 -0.812 0.000 0.901 457 Q HN 0.432 nan 8.270 nan 0.000 0.422 458 S N -0.553 115.010 115.700 -0.228 0.000 2.402 458 S HA -0.145 4.325 4.470 -0.000 0.000 0.229 458 S C 1.806 176.347 174.600 -0.098 0.000 1.021 458 S CA 1.310 59.426 58.200 -0.141 0.000 0.974 458 S CB 0.006 63.130 63.200 -0.127 0.000 0.800 458 S HN 0.472 nan 8.310 nan 0.000 0.484 459 Q N 0.061 119.803 119.800 -0.097 0.000 2.165 459 Q HA 0.035 4.375 4.340 -0.000 0.000 0.197 459 Q C 2.446 178.415 176.000 -0.051 0.000 0.952 459 Q CA 1.369 57.135 55.803 -0.061 0.000 0.848 459 Q CB -0.156 28.554 28.738 -0.048 0.000 0.931 459 Q HN 0.645 nan 8.270 nan 0.000 0.470 460 V N -1.459 118.419 119.914 -0.059 0.000 2.453 460 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 460 V C 2.004 178.076 176.094 -0.037 0.000 1.048 460 V CA 2.088 64.363 62.300 -0.041 0.000 1.049 460 V CB -0.806 30.997 31.823 -0.034 0.000 0.672 460 V HN 0.217 nan 8.190 nan 0.000 0.457 461 T N 0.257 114.783 114.554 -0.048 0.000 2.665 461 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 461 T C 1.883 176.564 174.700 -0.031 0.000 1.035 461 T CA 2.494 64.570 62.100 -0.039 0.000 1.151 461 T CB -0.375 68.461 68.868 -0.052 0.000 0.862 461 T HN 0.592 nan 8.240 nan 0.000 0.438 462 K N 0.364 120.743 120.400 -0.036 0.000 2.281 462 K HA 0.022 4.342 4.320 -0.000 0.000 0.203 462 K C 1.907 178.493 176.600 -0.023 0.000 1.046 462 K CA 1.006 57.276 56.287 -0.028 0.000 0.938 462 K CB -0.044 32.439 32.500 -0.029 0.000 0.737 462 K HN 0.284 nan 8.250 nan 0.000 0.458 463 A N -0.495 122.311 122.820 -0.024 0.000 2.348 463 A HA 0.289 4.609 4.320 -0.000 0.000 0.224 463 A C 1.215 178.789 177.584 -0.018 0.000 1.227 463 A CA 0.537 52.562 52.037 -0.021 0.000 0.885 463 A CB 0.232 19.218 19.000 -0.023 0.000 0.933 463 A HN 0.317 nan 8.150 nan 0.000 0.506 464 G N -1.201 107.590 108.800 -0.016 0.000 2.148 464 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.254 464 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.254 464 G C 0.777 175.671 174.900 -0.010 0.000 0.981 464 G CA 0.509 45.602 45.100 -0.012 0.000 0.670 464 G HN 1.300 nan 8.290 nan 0.000 0.528 465 G N -0.886 107.907 108.800 -0.012 0.000 2.535 465 G HA2 0.591 4.551 3.960 -0.000 0.000 0.282 465 G HA3 0.591 4.551 3.960 -0.000 0.000 0.282 465 G C -0.197 174.702 174.900 -0.001 0.000 1.350 465 G CA -0.380 44.715 45.100 -0.009 0.000 1.039 465 G HN 0.291 nan 8.290 nan 0.000 0.509 466 K N -0.675 119.728 120.400 0.005 0.000 2.371 466 K HA 0.654 4.974 4.320 -0.000 0.000 0.251 466 K C -1.226 175.394 176.600 0.033 0.000 0.934 466 K CA -0.602 55.696 56.287 0.019 0.000 0.798 466 K CB 2.502 35.014 32.500 0.020 0.000 1.204 466 K HN 0.490 nan 8.250 nan 0.000 0.427 467 I N 0.407 121.014 120.570 0.061 0.000 2.710 467 I HA 0.319 4.489 4.170 -0.000 0.000 0.290 467 I C -1.402 174.823 176.117 0.180 0.000 1.318 467 I CA -0.098 61.269 61.300 0.111 0.000 1.045 467 I CB 2.161 40.219 38.000 0.096 0.000 1.307 467 I HN 0.767 nan 8.210 nan 0.000 0.424 468 T N 4.419 119.083 114.554 0.183 0.000 2.903 468 T HA 0.614 4.964 4.350 -0.000 0.000 0.299 468 T C -1.237 173.479 174.700 0.028 0.000 1.093 468 T CA -0.754 61.427 62.100 0.135 0.000 1.002 468 T CB 1.834 70.745 68.868 0.070 0.000 1.127 468 T HN 0.584 nan 8.240 nan 0.000 0.488 469 L N 2.018 123.092 121.223 -0.247 0.000 2.265 469 L HA 0.774 5.114 4.340 -0.000 0.000 0.289 469 L C -0.311 176.402 176.870 -0.261 0.000 1.033 469 L CA 0.158 54.672 54.840 -0.543 0.000 0.814 469 L CB 1.479 42.748 42.059 -1.316 0.000 1.203 469 L HN 0.874 nan 8.230 nan 0.000 0.423 470 S N 3.267 118.876 115.700 -0.152 0.000 2.737 470 S HA 0.305 4.775 4.470 -0.000 0.000 0.269 470 S C 0.560 175.134 174.600 -0.043 0.000 1.150 470 S CA -0.565 57.590 58.200 -0.074 0.000 1.077 470 S CB 0.738 63.932 63.200 -0.010 0.000 1.075 470 S HN 0.867 nan 8.310 nan 0.000 0.476 471 E N 1.880 122.053 120.200 -0.046 0.000 2.209 471 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 471 E C 1.341 177.963 176.600 0.037 0.000 0.993 471 E CA 1.434 57.829 56.400 -0.009 0.000 0.819 471 E CB 0.061 29.756 29.700 -0.008 0.000 0.745 471 E HN 0.709 nan 8.360 nan 0.000 0.477 472 S N -1.292 114.429 115.700 0.034 0.000 2.540 472 S HA 0.321 4.791 4.470 -0.000 0.000 0.218 472 S C 1.361 175.985 174.600 0.040 0.000 0.977 472 S CA 0.121 58.348 58.200 0.046 0.000 0.918 472 S CB 0.966 64.191 63.200 0.041 0.000 0.806 472 S HN 0.320 nan 8.310 nan 0.000 0.496 473 G N 1.607 110.438 108.800 0.051 0.000 2.132 473 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.234 473 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.234 473 G C -0.295 174.702 174.900 0.160 0.000 0.989 473 G CA -0.147 45.012 45.100 0.098 0.000 0.676 473 G HN 0.561 nan 8.290 nan 0.000 0.522 474 E N -0.157 120.088 120.200 0.075 0.000 2.413 474 E HA 0.418 4.768 4.350 -0.000 0.000 0.263 474 E C 0.125 176.795 176.600 0.117 0.000 1.015 474 E CA 0.524 56.931 56.400 0.012 0.000 0.916 474 E CB 0.470 30.152 29.700 -0.030 0.000 0.947 474 E HN 0.792 nan 8.360 nan 0.000 0.440 475 Y N -1.957 118.338 120.300 -0.009 0.000 2.544 475 Y HA 0.364 4.914 4.550 -0.000 0.000 0.342 475 Y C 0.499 176.397 175.900 -0.003 0.000 1.062 475 Y CA -1.021 57.076 58.100 -0.005 0.000 1.023 475 Y CB 0.825 39.284 38.460 -0.002 0.000 1.308 475 Y HN 0.213 nan 8.280 nan 0.000 0.457 476 T N -0.417 114.199 114.554 0.103 0.000 2.904 476 T HA 0.065 4.415 4.350 -0.000 0.000 0.243 476 T C 0.275 175.073 174.700 0.163 0.000 1.024 476 T CA 0.778 62.912 62.100 0.055 0.000 1.158 476 T CB -0.230 68.656 68.868 0.030 0.000 0.867 476 T HN 0.553 nan 8.240 nan 0.000 0.429 477 S N 2.059 117.865 115.700 0.177 0.000 2.489 477 S HA 0.390 4.859 4.470 -0.000 0.000 0.277 477 S C -0.106 174.597 174.600 0.172 0.000 1.230 477 S CA -0.749 57.545 58.200 0.156 0.000 1.053 477 S CB 1.170 64.417 63.200 0.079 0.000 0.955 477 S HN 0.252 nan 8.310 nan 0.000 0.488 478 K N 5.224 125.701 120.400 0.128 0.000 2.405 478 K HA 0.046 4.365 4.320 -0.000 0.000 0.276 478 K C -2.095 174.413 176.600 -0.153 0.000 1.099 478 K CA -1.151 55.066 56.287 -0.118 0.000 1.120 478 K CB 0.083 32.561 32.500 -0.037 0.000 0.877 478 K HN 0.262 nan 8.250 nan 0.000 0.472 479 P HA 0.017 nan 4.420 nan 0.000 0.269 479 P C -0.505 176.720 177.300 -0.124 0.000 1.215 479 P CA -0.168 62.839 63.100 -0.155 0.000 0.780 479 P CB 0.768 32.359 31.700 -0.182 0.000 0.898 480 D N -0.474 119.881 120.400 -0.076 0.000 2.312 480 D HA 0.045 4.684 4.640 -0.000 0.000 0.211 480 D C 0.482 176.745 176.300 -0.062 0.000 0.964 480 D CA 0.992 54.956 54.000 -0.060 0.000 0.877 480 D CB 0.280 41.055 40.800 -0.041 0.000 0.924 480 D HN 0.103 nan 8.370 nan 0.000 0.515 481 V N -0.681 119.193 119.914 -0.067 0.000 3.036 481 V HA 0.534 4.654 4.120 -0.000 0.000 0.280 481 V C -1.905 174.154 176.094 -0.057 0.000 1.497 481 V CA -0.871 61.395 62.300 -0.056 0.000 0.982 481 V CB 1.859 33.660 31.823 -0.036 0.000 1.171 481 V HN 0.009 nan 8.190 nan 0.000 0.444 482 A N 6.623 129.411 122.820 -0.054 0.000 2.305 482 A HA 0.890 5.210 4.320 -0.000 0.000 0.322 482 A C -0.648 176.927 177.584 -0.016 0.000 1.187 482 A CA -0.576 51.439 52.037 -0.036 0.000 0.825 482 A CB 0.918 19.892 19.000 -0.042 0.000 1.164 482 A HN 0.862 nan 8.150 nan 0.000 0.498 483 I N 3.223 123.793 120.570 0.000 0.000 2.330 483 I HA 0.235 4.405 4.170 -0.000 0.000 0.286 483 I C -0.744 175.374 176.117 0.001 0.000 1.025 483 I CA -0.563 60.737 61.300 0.000 0.000 1.197 483 I CB 1.528 39.537 38.000 0.016 0.000 1.358 483 I HN 0.290 nan 8.210 nan 0.000 0.467 484 V N 7.559 127.464 119.914 -0.016 0.000 2.364 484 V HA 0.232 4.352 4.120 -0.000 0.000 0.272 484 V C 0.185 176.264 176.094 -0.026 0.000 1.036 484 V CA -0.616 61.681 62.300 -0.006 0.000 0.880 484 V CB 1.442 33.268 31.823 0.006 0.000 0.991 484 V HN 0.375 nan 8.190 nan 0.000 0.460 485 V N 7.435 127.345 119.914 -0.006 0.000 2.294 485 V HA 0.513 4.633 4.120 -0.000 0.000 0.272 485 V C -0.012 176.086 176.094 0.005 0.000 1.027 485 V CA -0.250 62.036 62.300 -0.023 0.000 0.823 485 V CB 0.636 32.449 31.823 -0.017 0.000 1.030 485 V HN 0.804 nan 8.190 nan 0.000 0.457 486 I N 1.770 122.345 120.570 0.007 0.000 3.002 486 I HA 1.122 5.291 4.170 -0.000 0.000 0.310 486 I C 0.268 176.378 176.117 -0.012 0.000 1.087 486 I CA -0.662 60.694 61.300 0.092 0.000 1.017 486 I CB 2.539 40.673 38.000 0.223 0.000 1.226 486 I HN 0.634 nan 8.210 nan 0.000 0.443 487 G N 2.252 111.108 108.800 0.092 0.000 2.325 487 G HA2 0.235 4.195 3.960 -0.000 0.000 0.295 487 G HA3 0.235 4.195 3.960 -0.000 0.000 0.295 487 G C -1.821 173.204 174.900 0.208 0.000 1.274 487 G CA -0.836 44.176 45.100 -0.146 0.000 0.857 487 G HN 0.738 nan 8.290 nan 0.000 0.499 488 E N 0.815 121.060 120.200 0.075 0.000 2.354 488 E HA 0.274 4.624 4.350 -0.000 0.000 0.269 488 E C -0.152 176.501 176.600 0.088 0.000 1.036 488 E CA -0.360 56.149 56.400 0.182 0.000 0.876 488 E CB 0.949 30.786 29.700 0.229 0.000 1.009 488 E HN 0.281 nan 8.360 nan 0.000 0.416 489 E N 3.086 123.348 120.200 0.103 0.000 2.418 489 E HA 0.069 4.419 4.350 -0.000 0.000 0.261 489 E C -2.054 174.578 176.600 0.053 0.000 1.070 489 E CA -1.535 54.896 56.400 0.052 0.000 0.931 489 E CB -0.054 29.672 29.700 0.045 0.000 0.954 489 E HN 0.304 nan 8.360 nan 0.000 0.439 490 P HA 0.107 nan 4.420 nan 0.000 0.272 490 P C -0.947 176.268 177.300 -0.142 0.000 1.223 490 P CA 0.181 63.155 63.100 -0.211 0.000 0.784 490 P CB 0.225 31.808 31.700 -0.195 0.000 0.923 491 Y N -1.733 118.407 120.300 -0.267 0.000 2.624 491 Y HA 0.772 5.322 4.550 0.000 0.000 0.334 491 Y C -1.776 173.896 175.900 -0.380 0.000 1.155 491 Y CA -1.682 56.216 58.100 -0.336 0.000 1.046 491 Y CB 0.493 38.845 38.460 -0.180 0.000 1.316 491 Y HN 0.603 nan 8.280 nan 0.000 0.457 492 A N 1.265 123.768 122.820 -0.528 0.000 2.435 492 A HA 0.817 5.137 4.320 -0.000 0.000 0.304 492 A C -0.407 176.927 177.584 -0.417 0.000 1.064 492 A CA -0.152 51.567 52.037 -0.530 0.000 0.727 492 A CB 1.189 19.405 19.000 -1.308 0.000 1.284 492 A HN 1.043 nan 8.150 nan 0.000 0.415 493 E N -1.173 118.977 120.200 -0.084 0.000 3.365 493 E HA -0.355 3.995 4.350 -0.000 0.000 0.286 493 E C 0.795 177.408 176.600 0.022 0.000 1.466 493 E CA 2.018 58.439 56.400 0.034 0.000 1.995 493 E CB -0.930 28.902 29.700 0.220 0.000 1.981 493 E HN 1.322 nan 8.360 nan 0.000 0.495 494 W N 0.414 121.805 121.300 0.151 0.000 2.387 494 W HA -0.045 4.615 4.660 0.000 0.000 0.272 494 W C 1.831 178.363 176.519 0.022 0.000 1.224 494 W CA 0.898 58.292 57.345 0.080 0.000 1.210 494 W CB -0.773 28.725 29.460 0.063 0.000 1.125 494 W HN 0.382 nan 8.180 nan 0.000 0.572 495 F N 1.616 121.192 119.950 -0.623 0.000 2.236 495 F HA -0.091 4.436 4.527 0.000 0.000 0.302 495 F C 2.546 178.139 175.800 -0.345 0.000 1.073 495 F CA 1.721 59.442 58.000 -0.464 0.000 1.336 495 F CB -0.552 38.072 39.000 -0.627 0.000 1.040 495 F HN 0.134 nan 8.300 nan 0.000 0.507 496 G N -1.749 106.931 108.800 -0.201 0.000 2.986 496 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.213 496 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.213 496 G C -0.108 174.538 174.900 -0.424 0.000 1.156 496 G CA -0.234 44.467 45.100 -0.664 0.000 0.763 496 G HN 0.035 nan 8.290 nan 0.000 0.547 497 D N 1.130 121.433 120.400 -0.162 0.000 2.493 497 D HA 0.285 4.924 4.640 -0.000 0.000 0.240 497 D C 0.796 177.012 176.300 -0.140 0.000 1.142 497 D CA 0.439 54.394 54.000 -0.076 0.000 0.872 497 D CB 1.018 41.822 40.800 0.007 0.000 1.173 497 D HN 0.447 nan 8.370 nan 0.000 0.467 498 I N -1.987 118.514 120.570 -0.116 0.000 3.108 498 I HA 0.458 4.628 4.170 -0.000 0.000 0.312 498 I C 0.332 176.363 176.117 -0.144 0.000 1.095 498 I CA -0.878 60.350 61.300 -0.121 0.000 1.000 498 I CB 2.204 40.160 38.000 -0.073 0.000 1.229 498 I HN 0.122 nan 8.210 nan 0.000 0.454 499 E N 0.942 121.047 120.200 -0.159 0.000 2.399 499 E HA 0.281 4.631 4.350 -0.000 0.000 0.205 499 E C -0.524 175.988 176.600 -0.147 0.000 0.906 499 E CA -0.027 56.240 56.400 -0.221 0.000 0.998 499 E CB 0.639 30.201 29.700 -0.231 0.000 1.002 499 E HN 0.289 nan 8.360 nan 0.000 0.501 500 L N 1.657 122.843 121.223 -0.060 0.000 2.295 500 L HA 0.257 4.597 4.340 -0.000 0.000 0.285 500 L C 0.989 177.956 176.870 0.162 0.000 1.035 500 L CA 0.268 55.124 54.840 0.026 0.000 0.806 500 L CB 1.221 43.191 42.059 -0.150 0.000 1.214 500 L HN 0.150 nan 8.230 nan 0.000 0.426 501 L N 1.110 122.500 121.223 0.278 0.000 2.341 501 L HA 0.058 4.398 4.340 -0.000 0.000 0.214 501 L C 1.109 178.214 176.870 0.392 0.000 1.115 501 L CA 0.280 55.308 54.840 0.313 0.000 0.820 501 L CB 0.151 42.383 42.059 0.288 0.000 0.944 501 L HN 0.702 nan 8.230 nan 0.000 0.452 502 E N 1.122 121.574 120.200 0.419 0.000 2.415 502 E HA -0.112 4.238 4.350 -0.000 0.000 0.260 502 E C -0.450 176.447 176.600 0.495 0.000 1.016 502 E CA -0.438 56.320 56.400 0.597 0.000 0.924 502 E CB 0.419 30.512 29.700 0.654 0.000 0.961 502 E HN 0.007 nan 8.360 nan 0.000 0.459 503 F N 4.871 125.039 119.950 0.363 0.000 2.571 503 F HA -0.004 4.523 4.527 -0.000 0.000 0.384 503 F C 0.347 176.315 175.800 0.280 0.000 1.058 503 F CA 0.411 58.612 58.000 0.336 0.000 1.200 503 F CB 0.129 39.370 39.000 0.401 0.000 1.077 503 F HN 0.689 nan 8.300 nan 0.000 0.558 504 Q N 4.211 123.753 119.800 -0.430 0.000 2.463 504 Q HA -0.350 3.990 4.340 -0.000 0.000 0.299 504 Q C 1.286 177.266 176.000 -0.034 0.000 1.353 504 Q CA 0.990 56.590 55.803 -0.338 0.000 0.828 504 Q CB -1.672 26.751 28.738 -0.525 0.000 1.157 504 Q HN 0.888 nan 8.270 nan 0.000 0.436 505 H N 0.766 119.837 119.070 0.003 0.000 2.431 505 H HA -0.170 4.385 4.556 -0.000 0.000 0.297 505 H C 1.419 176.770 175.328 0.038 0.000 1.115 505 H CA 2.077 58.163 56.048 0.063 0.000 1.277 505 H CB 0.638 30.447 29.762 0.077 0.000 1.372 505 H HN 0.383 nan 8.280 nan 0.000 0.516 506 E N -0.527 119.720 120.200 0.078 0.000 2.072 506 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 506 E C 2.322 178.914 176.600 -0.012 0.000 0.982 506 E CA 1.761 58.180 56.400 0.033 0.000 0.803 506 E CB -0.260 29.472 29.700 0.052 0.000 0.755 506 E HN 0.730 nan 8.360 nan 0.000 0.453 507 T N -2.231 112.319 114.554 -0.007 0.000 3.046 507 T HA 0.100 4.450 4.350 -0.000 0.000 0.242 507 T C 0.715 175.440 174.700 0.041 0.000 1.018 507 T CA 0.006 62.123 62.100 0.028 0.000 1.131 507 T CB 0.314 69.216 68.868 0.055 0.000 0.904 507 T HN -0.194 nan 8.240 nan 0.000 0.459 508 K N 0.819 121.234 120.400 0.026 0.000 3.088 508 K HA -0.239 4.081 4.320 -0.000 0.000 0.273 508 K C 0.798 177.449 176.600 0.086 0.000 1.111 508 K CA 0.923 57.241 56.287 0.052 0.000 0.803 508 K CB -2.525 29.994 32.500 0.031 0.000 1.226 508 K HN 0.737 nan 8.250 nan 0.000 0.485 509 H N -0.138 118.938 119.070 0.010 0.000 2.289 509 H HA -0.124 4.432 4.556 -0.000 0.000 0.296 509 H C 1.819 177.190 175.328 0.072 0.000 1.091 509 H CA 2.434 58.499 56.048 0.030 0.000 1.274 509 H CB 0.272 30.042 29.762 0.013 0.000 1.364 509 H HN 0.401 nan 8.280 nan 0.000 0.490 510 A N 0.829 123.794 122.820 0.242 0.000 1.930 510 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 510 A C 2.551 180.228 177.584 0.155 0.000 1.175 510 A CA 1.272 53.454 52.037 0.242 0.000 0.627 510 A CB -0.764 18.492 19.000 0.427 0.000 0.815 510 A HN 0.414 nan 8.150 nan 0.000 0.443 511 L N -0.234 121.080 121.223 0.152 0.000 2.046 511 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 511 L C 2.689 179.581 176.870 0.037 0.000 1.077 511 L CA 2.053 56.952 54.840 0.097 0.000 0.747 511 L CB -0.641 41.475 42.059 0.095 0.000 0.896 511 L HN 0.346 nan 8.230 nan 0.000 0.432 512 A N -0.535 122.284 122.820 -0.002 0.000 1.883 512 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 512 A C 2.258 179.817 177.584 -0.042 0.000 1.186 512 A CA 2.139 54.150 52.037 -0.044 0.000 0.624 512 A CB -1.074 17.861 19.000 -0.110 0.000 0.822 512 A HN 0.513 nan 8.150 nan 0.000 0.444 513 L N -0.476 120.717 121.223 -0.050 0.000 2.056 513 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 513 L C 2.248 179.128 176.870 0.018 0.000 1.078 513 L CA 1.589 56.417 54.840 -0.020 0.000 0.749 513 L CB -0.387 41.667 42.059 -0.007 0.000 0.901 513 L HN 0.386 nan 8.230 nan 0.000 0.433 514 L N -0.633 120.610 121.223 0.034 0.000 2.046 514 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 514 L C 2.630 179.513 176.870 0.022 0.000 1.077 514 L CA 1.496 56.357 54.840 0.036 0.000 0.747 514 L CB -0.537 41.554 42.059 0.054 0.000 0.896 514 L HN 0.237 nan 8.230 nan 0.000 0.432 515 K N -0.318 120.093 120.400 0.018 0.000 2.032 515 K HA -0.269 4.051 4.320 -0.000 0.000 0.209 515 K C 2.194 178.802 176.600 0.013 0.000 1.048 515 K CA 1.675 57.968 56.287 0.011 0.000 0.927 515 K CB -0.129 32.375 32.500 0.007 0.000 0.712 515 K HN 0.198 nan 8.250 nan 0.000 0.441 516 Q N 0.763 120.571 119.800 0.014 0.000 2.124 516 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 516 Q C 1.956 177.984 176.000 0.046 0.000 0.977 516 Q CA 1.160 56.978 55.803 0.026 0.000 0.850 516 Q CB 0.057 28.807 28.738 0.021 0.000 0.901 516 Q HN 0.260 nan 8.270 nan 0.000 0.429 517 L N 0.205 121.453 121.223 0.041 0.000 2.027 517 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 517 L C 2.574 179.451 176.870 0.012 0.000 1.074 517 L CA 1.417 56.277 54.840 0.033 0.000 0.745 517 L CB -0.419 41.650 42.059 0.016 0.000 0.898 517 L HN 0.205 nan 8.230 nan 0.000 0.433 518 K N 0.329 120.735 120.400 0.009 0.000 2.063 518 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 518 K C 2.024 178.628 176.600 0.006 0.000 1.048 518 K CA 1.529 57.818 56.287 0.002 0.000 0.928 518 K CB -0.122 32.380 32.500 0.003 0.000 0.713 518 K HN 0.289 nan 8.250 nan 0.000 0.442 519 A N 1.037 123.866 122.820 0.014 0.000 2.070 519 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 519 A C 1.186 178.785 177.584 0.026 0.000 1.159 519 A CA 1.662 53.710 52.037 0.017 0.000 0.656 519 A CB -0.196 18.814 19.000 0.018 0.000 0.800 519 A HN 0.354 nan 8.150 nan 0.000 0.453 520 D N -0.214 120.209 120.400 0.038 0.000 2.328 520 D HA 0.003 4.643 4.640 -0.000 0.000 0.226 520 D C 0.292 176.604 176.300 0.020 0.000 1.066 520 D CA 0.082 54.115 54.000 0.055 0.000 0.861 520 D CB -0.261 40.611 40.800 0.120 0.000 0.912 520 D HN 0.341 nan 8.370 nan 0.000 0.521 521 N N 0.300 119.003 118.700 0.004 0.000 2.741 521 N HA -0.207 4.533 4.740 -0.000 0.000 0.251 521 N C -0.549 174.942 175.510 -0.031 0.000 1.112 521 N CA 0.338 53.381 53.050 -0.011 0.000 0.750 521 N CB -1.132 37.352 38.487 -0.006 0.000 1.119 521 N HN 0.319 nan 8.380 nan 0.000 0.561 522 I N 1.604 122.145 120.570 -0.047 0.000 2.371 522 I HA 0.198 4.368 4.170 -0.000 0.000 0.290 522 I C -1.829 174.257 176.117 -0.053 0.000 1.028 522 I CA -1.629 59.625 61.300 -0.077 0.000 1.345 522 I CB 0.903 38.822 38.000 -0.136 0.000 1.407 522 I HN -0.127 nan 8.210 nan 0.000 0.501 523 P HA -0.017 nan 4.420 nan 0.000 0.264 523 P C -0.793 176.486 177.300 -0.034 0.000 1.193 523 P CA 0.027 63.105 63.100 -0.037 0.000 0.763 523 P CB 0.585 32.263 31.700 -0.037 0.000 0.810 524 V N 5.273 125.174 119.914 -0.022 0.000 2.444 524 V HA 0.408 4.528 4.120 -0.000 0.000 0.294 524 V C -0.814 175.274 176.094 -0.011 0.000 1.022 524 V CA -0.723 61.568 62.300 -0.016 0.000 0.850 524 V CB 1.757 33.577 31.823 -0.007 0.000 0.992 524 V HN 0.133 nan 8.190 nan 0.000 0.426 525 V N 6.046 125.951 119.914 -0.016 0.000 2.394 525 V HA 0.507 4.627 4.120 -0.000 0.000 0.282 525 V C 0.476 176.536 176.094 -0.056 0.000 1.031 525 V CA -0.099 62.189 62.300 -0.021 0.000 0.881 525 V CB 1.939 33.760 31.823 -0.004 0.000 0.982 525 V HN 1.013 nan 8.190 nan 0.000 0.451 526 T N 4.766 119.249 114.554 -0.117 0.000 2.771 526 T HA 0.521 4.871 4.350 -0.000 0.000 0.281 526 T C -0.359 174.102 174.700 -0.398 0.000 0.982 526 T CA -0.327 61.623 62.100 -0.250 0.000 0.978 526 T CB 1.524 70.206 68.868 -0.311 0.000 0.930 526 T HN 0.325 nan 8.240 nan 0.000 0.447 527 V N 4.507 124.250 119.914 -0.284 0.000 2.347 527 V HA 0.449 4.569 4.120 -0.000 0.000 0.280 527 V C -0.745 175.200 176.094 -0.249 0.000 1.021 527 V CA -0.845 61.299 62.300 -0.259 0.000 0.847 527 V CB 0.814 32.561 31.823 -0.127 0.000 0.990 527 V HN 0.818 nan 8.190 nan 0.000 0.444 528 F N 6.547 126.175 119.950 -0.536 0.000 2.361 528 F HA 0.609 5.136 4.527 0.000 0.000 0.364 528 F C -0.296 175.346 175.800 -0.265 0.000 1.117 528 F CA -0.800 56.929 58.000 -0.452 0.000 1.071 528 F CB 0.935 39.594 39.000 -0.567 0.000 1.188 528 F HN 0.309 nan 8.300 nan 0.000 0.464 529 L N 6.400 127.341 121.223 -0.471 0.000 2.265 529 L HA 0.612 4.952 4.340 -0.000 0.000 0.288 529 L C -0.205 176.323 176.870 -0.569 0.000 1.058 529 L CA -0.409 54.204 54.840 -0.377 0.000 0.809 529 L CB 0.912 42.829 42.059 -0.236 0.000 1.179 529 L HN 0.739 nan 8.230 nan 0.000 0.429 530 S N 0.524 116.017 115.700 -0.345 0.000 2.567 530 S HA 0.412 4.882 4.470 -0.000 0.000 0.270 530 S C 0.251 174.884 174.600 0.056 0.000 1.152 530 S CA -0.243 57.821 58.200 -0.227 0.000 0.835 530 S CB 1.381 64.349 63.200 -0.388 0.000 1.115 530 S HN 0.640 nan 8.310 nan 0.000 0.459 531 G N 0.681 109.524 108.800 0.070 0.000 2.920 531 G HA2 0.389 4.349 3.960 -0.000 0.000 0.208 531 G HA3 0.389 4.349 3.960 -0.000 0.000 0.208 531 G C 0.433 175.452 174.900 0.198 0.000 1.159 531 G CA -0.058 45.130 45.100 0.146 0.000 0.784 531 G HN 1.011 nan 8.290 nan 0.000 0.535 532 R N -1.772 118.878 120.500 0.250 0.000 2.712 532 R HA 0.419 4.759 4.340 -0.000 0.000 0.272 532 R C -3.596 172.818 176.300 0.190 0.000 1.032 532 R CA -1.820 54.353 56.100 0.121 0.000 0.874 532 R CB 0.287 30.616 30.300 0.047 0.000 1.256 532 R HN -0.221 nan 8.270 nan 0.000 0.468 533 P HA 0.309 nan 4.420 nan 0.000 0.275 533 P C -0.838 176.193 177.300 -0.449 0.000 1.228 533 P CA -0.319 62.290 63.100 -0.818 0.000 0.786 533 P CB 0.630 31.795 31.700 -0.892 0.000 0.927 534 L N 0.765 121.720 121.223 -0.447 0.000 2.465 534 L HA 0.429 4.769 4.340 -0.000 0.000 0.257 534 L C -0.822 176.153 176.870 0.174 0.000 0.988 534 L CA -0.930 53.956 54.840 0.078 0.000 0.827 534 L CB 2.049 44.364 42.059 0.427 0.000 1.397 534 L HN 0.400 nan 8.230 nan 0.000 0.410 535 W N 2.823 124.189 121.300 0.109 0.000 2.529 535 W HA 0.386 5.046 4.660 0.000 0.000 0.319 535 W C 0.465 177.089 176.519 0.174 0.000 1.362 535 W CA -0.144 57.277 57.345 0.126 0.000 1.348 535 W CB 0.740 30.255 29.460 0.091 0.000 1.403 535 W HN 0.204 nan 8.180 nan 0.000 0.519 536 V N 2.773 122.479 119.914 -0.346 0.000 3.111 536 V HA 0.156 4.276 4.120 -0.000 0.000 0.343 536 V C 1.081 176.773 176.094 -0.670 0.000 1.417 536 V CA -0.133 61.927 62.300 -0.400 0.000 1.142 536 V CB -0.065 31.509 31.823 -0.416 0.000 1.114 536 V HN 0.539 nan 8.190 nan 0.000 0.520 537 N N 2.346 120.401 118.700 -1.075 0.000 2.091 537 N HA -0.184 4.555 4.740 -0.000 0.000 0.193 537 N C 1.561 176.744 175.510 -0.545 0.000 1.021 537 N CA 2.270 54.815 53.050 -0.841 0.000 0.862 537 N CB -0.339 37.589 38.487 -0.932 0.000 1.018 537 N HN 0.623 nan 8.380 nan 0.000 0.429 538 K N 0.432 120.525 120.400 -0.512 0.000 2.002 538 K HA -0.100 4.220 4.320 -0.000 0.000 0.209 538 K C 1.900 178.407 176.600 -0.154 0.000 1.048 538 K CA 1.308 57.455 56.287 -0.232 0.000 0.930 538 K CB -0.098 32.332 32.500 -0.117 0.000 0.714 538 K HN 0.148 nan 8.250 nan 0.000 0.438 539 E N 1.052 121.172 120.200 -0.133 0.000 2.110 539 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 539 E C 1.894 178.450 176.600 -0.073 0.000 0.988 539 E CA 0.848 57.233 56.400 -0.024 0.000 0.804 539 E CB -0.187 29.567 29.700 0.089 0.000 0.745 539 E HN 0.161 nan 8.360 nan 0.000 0.458 540 L N 0.912 121.949 121.223 -0.310 0.000 2.043 540 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 540 L C 1.813 178.576 176.870 -0.178 0.000 1.075 540 L CA 1.092 55.710 54.840 -0.370 0.000 0.752 540 L CB -0.409 41.322 42.059 -0.548 0.000 0.891 540 L HN 0.188 nan 8.230 nan 0.000 0.432 541 N N -0.114 118.490 118.700 -0.160 0.000 2.244 541 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 541 N C 1.420 176.898 175.510 -0.053 0.000 1.016 541 N CA 1.298 54.288 53.050 -0.100 0.000 0.866 541 N CB -0.164 38.264 38.487 -0.098 0.000 0.980 541 N HN 0.288 nan 8.380 nan 0.000 0.430 542 A N -0.514 122.285 122.820 -0.035 0.000 2.370 542 A HA 0.330 4.650 4.320 -0.000 0.000 0.238 542 A C 0.130 177.722 177.584 0.012 0.000 1.289 542 A CA -0.162 51.872 52.037 -0.006 0.000 0.885 542 A CB 0.143 19.148 19.000 0.008 0.000 0.961 542 A HN 0.017 nan 8.150 nan 0.000 0.499 543 S N 0.044 115.752 115.700 0.013 0.000 2.532 543 S HA 0.274 4.744 4.470 -0.000 0.000 0.299 543 S C -0.148 174.459 174.600 0.012 0.000 1.105 543 S CA -0.681 57.543 58.200 0.039 0.000 1.018 543 S CB 1.539 64.821 63.200 0.137 0.000 1.021 543 S HN 0.393 nan 8.310 nan 0.000 0.483 544 D N 1.871 122.274 120.400 0.004 0.000 2.149 544 D HA 0.081 4.721 4.640 -0.000 0.000 0.201 544 D C 0.694 176.991 176.300 -0.004 0.000 0.972 544 D CA 0.863 54.859 54.000 -0.007 0.000 0.835 544 D CB 0.267 41.060 40.800 -0.012 0.000 0.966 544 D HN 0.579 nan 8.370 nan 0.000 0.476 545 A N -0.256 122.570 122.820 0.010 0.000 2.498 545 A HA 0.611 4.931 4.320 -0.000 0.000 0.298 545 A C -1.738 175.878 177.584 0.054 0.000 1.075 545 A CA -0.583 51.459 52.037 0.009 0.000 0.714 545 A CB 1.860 20.861 19.000 0.001 0.000 1.299 545 A HN 0.067 nan 8.150 nan 0.000 0.407 546 F N 1.770 121.608 119.950 -0.186 0.000 2.653 546 F HA 0.537 5.064 4.527 0.000 0.000 0.327 546 F C -1.324 174.303 175.800 -0.288 0.000 1.195 546 F CA -0.448 57.415 58.000 -0.229 0.000 0.993 546 F CB 1.728 40.551 39.000 -0.295 0.000 1.259 546 F HN 0.432 nan 8.300 nan 0.000 0.478 547 V N 5.344 125.071 119.914 -0.311 0.000 2.435 547 V HA 0.676 4.796 4.120 -0.000 0.000 0.290 547 V C 0.090 175.997 176.094 -0.312 0.000 1.030 547 V CA -0.708 61.453 62.300 -0.232 0.000 0.881 547 V CB 1.476 33.261 31.823 -0.063 0.000 0.983 547 V HN 0.869 nan 8.190 nan 0.000 0.445 548 A N 3.774 126.429 122.820 -0.275 0.000 2.310 548 A HA 0.663 4.983 4.320 -0.000 0.000 0.300 548 A C 0.957 178.168 177.584 -0.623 0.000 1.269 548 A CA 0.259 52.039 52.037 -0.429 0.000 0.909 548 A CB 0.551 19.170 19.000 -0.636 0.000 1.144 548 A HN 1.261 nan 8.150 nan 0.000 0.540 549 A N 2.668 125.230 122.820 -0.430 0.000 2.348 549 A HA 0.458 4.778 4.320 -0.000 0.000 0.224 549 A C 0.678 178.211 177.584 -0.085 0.000 1.227 549 A CA 0.199 52.095 52.037 -0.234 0.000 0.885 549 A CB -0.828 18.107 19.000 -0.109 0.000 0.933 549 A HN 1.166 nan 8.150 nan 0.000 0.506 550 W N -1.627 119.736 121.300 0.105 0.000 1.806 550 W HA -0.310 4.350 4.660 -0.001 0.000 0.271 550 W C 0.122 176.622 176.519 -0.031 0.000 1.063 550 W CA 0.654 58.037 57.345 0.064 0.000 1.018 550 W CB -1.298 28.236 29.460 0.122 0.000 0.880 550 W HN 0.102 nan 8.180 nan 0.000 0.554 551 L N 2.174 123.562 121.223 0.276 0.000 2.433 551 L HA 0.253 4.593 4.340 -0.000 0.000 0.256 551 L C -1.545 175.389 176.870 0.107 0.000 1.063 551 L CA -1.649 53.246 54.840 0.091 0.000 0.922 551 L CB 1.188 43.267 42.059 0.034 0.000 1.238 551 L HN -0.022 nan 8.230 nan 0.000 0.466 552 P HA -0.012 nan 4.420 nan 0.000 0.234 552 P C 0.990 178.283 177.300 -0.011 0.000 1.167 552 P CA 1.035 64.165 63.100 0.050 0.000 0.763 552 P CB 0.566 32.273 31.700 0.013 0.000 0.835 553 G N 0.771 109.542 108.800 -0.049 0.000 2.512 553 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.240 553 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.240 553 G C 1.124 175.915 174.900 -0.181 0.000 1.246 553 G CA 0.563 45.608 45.100 -0.093 0.000 0.919 553 G HN 0.286 nan 8.290 nan 0.000 0.577 554 S N -0.258 115.317 115.700 -0.208 0.000 2.428 554 S HA 0.083 4.552 4.470 -0.000 0.000 0.230 554 S C 0.921 175.410 174.600 -0.186 0.000 1.014 554 S CA 1.903 59.974 58.200 -0.215 0.000 0.957 554 S CB 0.098 63.182 63.200 -0.193 0.000 0.784 554 S HN 0.609 nan 8.310 nan 0.000 0.499 555 E N 1.988 122.084 120.200 -0.174 0.000 2.122 555 E HA 0.349 4.699 4.350 -0.000 0.000 0.288 555 E C 1.114 177.639 176.600 -0.126 0.000 1.260 555 E CA -0.132 56.180 56.400 -0.148 0.000 1.344 555 E CB -0.073 29.536 29.700 -0.152 0.000 1.337 555 E HN 0.526 nan 8.360 nan 0.000 0.484 556 G N 2.140 110.866 108.800 -0.123 0.000 2.470 556 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 556 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 556 G C 1.269 176.109 174.900 -0.099 0.000 1.121 556 G CA 0.361 45.398 45.100 -0.105 0.000 0.766 556 G HN 0.368 nan 8.290 nan 0.000 0.553 557 E N 1.406 121.542 120.200 -0.106 0.000 2.338 557 E HA -0.025 4.325 4.350 -0.000 0.000 0.197 557 E C 2.325 178.853 176.600 -0.120 0.000 1.007 557 E CA 1.031 57.367 56.400 -0.106 0.000 0.849 557 E CB -0.936 28.704 29.700 -0.100 0.000 0.774 557 E HN 0.277 nan 8.360 nan 0.000 0.506 558 G N 1.476 110.193 108.800 -0.137 0.000 2.448 558 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 558 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 558 G C 1.706 176.506 174.900 -0.168 0.000 1.127 558 G CA 1.015 46.007 45.100 -0.179 0.000 0.766 558 G HN 0.236 nan 8.290 nan 0.000 0.552 559 V N 1.531 121.375 119.914 -0.118 0.000 2.270 559 V HA -0.118 4.001 4.120 -0.000 0.000 0.245 559 V C 3.319 179.360 176.094 -0.087 0.000 1.043 559 V CA 1.962 64.205 62.300 -0.095 0.000 1.014 559 V CB -1.009 30.776 31.823 -0.063 0.000 0.645 559 V HN 0.443 nan 8.190 nan 0.000 0.447 560 A N -0.013 122.762 122.820 -0.075 0.000 1.978 560 A HA -0.292 4.027 4.320 -0.000 0.000 0.220 560 A C 1.931 179.494 177.584 -0.035 0.000 1.170 560 A CA 2.117 54.123 52.037 -0.053 0.000 0.636 560 A CB -0.726 18.236 19.000 -0.063 0.000 0.810 560 A HN 0.557 nan 8.150 nan 0.000 0.448 561 D N -0.422 119.936 120.400 -0.069 0.000 2.158 561 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 561 D C 1.950 178.288 176.300 0.063 0.000 0.995 561 D CA 1.722 55.712 54.000 -0.017 0.000 0.846 561 D CB -0.211 40.417 40.800 -0.286 0.000 0.941 561 D HN 0.323 nan 8.370 nan 0.000 0.456 562 V N 0.279 120.135 119.914 -0.097 0.000 2.575 562 V HA -0.014 4.106 4.120 -0.000 0.000 0.242 562 V C 2.501 178.583 176.094 -0.019 0.000 1.045 562 V CA 0.425 62.621 62.300 -0.174 0.000 1.065 562 V CB -0.185 31.249 31.823 -0.648 0.000 0.717 562 V HN 0.153 nan 8.190 nan 0.000 0.467 563 L N -0.324 120.899 121.223 -0.001 0.000 2.201 563 L HA -0.001 4.339 4.340 -0.000 0.000 0.212 563 L C 0.533 177.451 176.870 0.080 0.000 1.105 563 L CA 0.889 55.793 54.840 0.106 0.000 0.775 563 L CB -0.102 41.997 42.059 0.066 0.000 0.913 563 L HN 0.266 nan 8.230 nan 0.000 0.440 564 L N -0.388 120.864 121.223 0.049 0.000 2.329 564 L HA 0.259 4.599 4.340 -0.000 0.000 0.279 564 L C 0.688 177.573 176.870 0.024 0.000 1.014 564 L CA -0.254 54.597 54.840 0.020 0.000 0.814 564 L CB 1.571 43.633 42.059 0.006 0.000 1.257 564 L HN 0.003 nan 8.230 nan 0.000 0.424 565 T N 0.103 114.651 114.554 -0.011 0.000 2.734 565 T HA 0.130 4.480 4.350 -0.000 0.000 0.314 565 T C 0.549 175.242 174.700 -0.011 0.000 1.057 565 T CA -0.640 61.448 62.100 -0.020 0.000 1.047 565 T CB 0.261 69.102 68.868 -0.045 0.000 0.991 565 T HN 0.677 nan 8.240 nan 0.000 0.540 566 N N 0.889 119.575 118.700 -0.024 0.000 2.381 566 N HA -0.063 4.677 4.740 -0.000 0.000 0.241 566 N C 1.207 176.701 175.510 -0.027 0.000 1.279 566 N CA -0.070 52.963 53.050 -0.027 0.000 0.896 566 N CB 0.669 39.126 38.487 -0.050 0.000 1.118 566 N HN 0.981 nan 8.380 nan 0.000 0.438 567 K N 0.773 121.159 120.400 -0.023 0.000 2.366 567 K HA -0.242 4.078 4.320 -0.000 0.000 0.202 567 K C 0.809 177.394 176.600 -0.025 0.000 1.045 567 K CA 1.694 57.967 56.287 -0.023 0.000 0.934 567 K CB -0.167 32.320 32.500 -0.021 0.000 0.746 567 K HN 0.673 nan 8.250 nan 0.000 0.470 568 Q N -0.305 119.478 119.800 -0.029 0.000 2.280 568 Q HA 0.159 4.499 4.340 -0.000 0.000 0.201 568 Q C 0.547 176.528 176.000 -0.032 0.000 0.890 568 Q CA 0.241 56.026 55.803 -0.029 0.000 0.947 568 Q CB 0.972 29.692 28.738 -0.030 0.000 1.081 568 Q HN 0.645 nan 8.270 nan 0.000 0.502 569 G N 1.151 109.930 108.800 -0.035 0.000 2.157 569 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.248 569 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.248 569 G C -0.071 174.801 174.900 -0.047 0.000 0.979 569 G CA -0.193 44.883 45.100 -0.040 0.000 0.650 569 G HN 0.058 nan 8.290 nan 0.000 0.529 570 K N 1.204 121.576 120.400 -0.046 0.000 2.130 570 K HA 0.509 4.829 4.320 -0.000 0.000 0.268 570 K C 0.370 176.938 176.600 -0.053 0.000 0.983 570 K CA -0.420 55.837 56.287 -0.051 0.000 0.893 570 K CB 1.140 33.609 32.500 -0.051 0.000 1.066 570 K HN 0.107 nan 8.250 nan 0.000 0.450 571 T N 3.046 117.570 114.554 -0.049 0.000 2.902 571 T HA -0.026 4.324 4.350 -0.000 0.000 0.301 571 T C 1.536 176.202 174.700 -0.058 0.000 1.012 571 T CA 0.226 62.314 62.100 -0.019 0.000 1.151 571 T CB 0.286 69.176 68.868 0.037 0.000 0.946 571 T HN 0.494 nan 8.240 nan 0.000 0.542 572 Q N 1.973 121.730 119.800 -0.073 0.000 2.390 572 Q HA 0.241 4.581 4.340 -0.000 0.000 0.216 572 Q C -0.399 175.232 176.000 -0.615 0.000 0.916 572 Q CA 0.419 56.046 55.803 -0.293 0.000 0.911 572 Q CB 0.484 29.096 28.738 -0.209 0.000 1.035 572 Q HN 0.548 nan 8.270 nan 0.000 0.541 573 F N 0.947 120.895 119.950 -0.003 0.000 2.578 573 F HA 0.425 4.952 4.527 -0.001 0.000 0.311 573 F C -0.499 175.254 175.800 -0.080 0.000 1.094 573 F CA -1.321 56.647 58.000 -0.054 0.000 0.923 573 F CB 2.040 40.974 39.000 -0.110 0.000 1.230 573 F HN -0.125 nan 8.300 nan 0.000 0.450 574 D N 1.077 121.507 120.400 0.050 0.000 2.332 574 D HA 0.354 4.994 4.640 -0.000 0.000 0.252 574 D C -0.591 175.539 176.300 -0.282 0.000 1.050 574 D CA -0.302 53.592 54.000 -0.177 0.000 0.970 574 D CB 1.101 41.867 40.800 -0.057 0.000 1.141 574 D HN 0.155 nan 8.370 nan 0.000 0.485 575 F N -0.106 119.604 119.950 -0.400 0.000 2.506 575 F HA 0.103 4.631 4.527 0.000 0.000 0.351 575 F C 1.881 177.593 175.800 -0.147 0.000 1.136 575 F CA 0.328 58.182 58.000 -0.244 0.000 1.298 575 F CB 0.842 39.664 39.000 -0.297 0.000 1.145 575 F HN 0.282 nan 8.300 nan 0.000 0.593 576 T N -1.767 112.847 114.554 0.098 0.000 3.009 576 T HA 0.266 4.616 4.350 -0.000 0.000 0.267 576 T C 0.755 175.501 174.700 0.076 0.000 0.942 576 T CA 0.100 62.237 62.100 0.060 0.000 0.883 576 T CB -0.343 68.551 68.868 0.043 0.000 1.192 576 T HN 0.715 nan 8.240 nan 0.000 0.524 577 G N 2.347 111.225 108.800 0.130 0.000 2.398 577 G HA2 0.479 4.439 3.960 -0.000 0.000 0.246 577 G HA3 0.479 4.439 3.960 -0.000 0.000 0.246 577 G C -0.551 174.413 174.900 0.107 0.000 1.289 577 G CA -0.307 44.888 45.100 0.158 0.000 0.869 577 G HN 0.228 nan 8.290 nan 0.000 0.543 578 K N 1.784 122.238 120.400 0.089 0.000 2.316 578 K HA 0.309 4.629 4.320 -0.000 0.000 0.251 578 K C -0.561 176.094 176.600 0.093 0.000 0.934 578 K CA -1.321 54.994 56.287 0.047 0.000 0.802 578 K CB 2.499 34.981 32.500 -0.030 0.000 1.171 578 K HN 0.259 nan 8.250 nan 0.000 0.426 579 L N 2.514 123.842 121.223 0.175 0.000 2.628 579 L HA -0.096 4.243 4.340 -0.000 0.000 0.274 579 L C 1.294 178.126 176.870 -0.064 0.000 1.209 579 L CA 0.921 55.926 54.840 0.275 0.000 0.930 579 L CB -0.024 42.286 42.059 0.419 0.000 1.183 579 L HN 0.817 nan 8.230 nan 0.000 0.492 580 S N 2.782 118.489 115.700 0.013 0.000 2.548 580 S HA 0.255 4.725 4.470 -0.000 0.000 0.215 580 S C 0.243 174.828 174.600 -0.024 0.000 0.976 580 S CA -0.264 57.854 58.200 -0.137 0.000 0.908 580 S CB -0.099 63.049 63.200 -0.086 0.000 0.781 580 S HN 0.289 nan 8.310 nan 0.000 0.519 581 F N 1.497 121.565 119.950 0.196 0.000 2.565 581 F HA 0.519 5.046 4.527 -0.000 0.000 0.313 581 F C 0.284 176.316 175.800 0.385 0.000 1.091 581 F CA -0.989 57.181 58.000 0.284 0.000 0.915 581 F CB 1.977 41.083 39.000 0.176 0.000 1.208 581 F HN -0.155 nan 8.300 nan 0.000 0.453 582 S N 2.103 118.131 115.700 0.546 0.000 2.549 582 S HA -0.032 4.438 4.470 -0.000 0.000 0.286 582 S C -0.752 174.107 174.600 0.432 0.000 1.314 582 S CA -0.444 58.057 58.200 0.502 0.000 1.062 582 S CB 0.427 63.918 63.200 0.485 0.000 0.865 582 S HN 0.473 nan 8.310 nan 0.000 0.498 583 W N 6.008 127.483 121.300 0.291 0.000 2.335 583 W HA 0.256 4.916 4.660 -0.000 0.000 0.306 583 W C -2.678 173.877 176.519 0.060 0.000 1.216 583 W CA -2.560 54.918 57.345 0.221 0.000 1.237 583 W CB 0.993 30.624 29.460 0.286 0.000 1.243 583 W HN 0.397 nan 8.180 nan 0.000 0.493 584 P HA 0.039 nan 4.420 nan 0.000 0.276 584 P C 0.235 177.631 177.300 0.160 0.000 1.230 584 P CA 0.201 63.356 63.100 0.092 0.000 0.776 584 P CB 1.406 33.152 31.700 0.078 0.000 0.888 585 K N 2.133 122.516 120.400 -0.029 0.000 2.314 585 K HA 0.016 4.336 4.320 -0.000 0.000 0.198 585 K C -0.207 176.258 176.600 -0.225 0.000 1.045 585 K CA 0.728 56.867 56.287 -0.247 0.000 0.988 585 K CB 0.156 32.308 32.500 -0.580 0.000 0.783 585 K HN 0.430 nan 8.250 nan 0.000 0.484 586 Y N 0.469 120.824 120.300 0.091 0.000 2.485 586 Y HA 0.081 4.631 4.550 -0.000 0.000 0.345 586 Y C 0.539 176.080 175.900 -0.599 0.000 0.998 586 Y CA -1.588 56.354 58.100 -0.263 0.000 1.059 586 Y CB 1.464 39.781 38.460 -0.238 0.000 1.234 586 Y HN 0.050 nan 8.280 nan 0.000 0.461 587 D N -1.000 118.796 120.400 -1.006 0.000 2.350 587 D HA -0.153 4.487 4.640 -0.000 0.000 0.216 587 D C 0.390 176.404 176.300 -0.477 0.000 0.968 587 D CA 1.107 54.649 54.000 -0.762 0.000 0.894 587 D CB -0.223 40.044 40.800 -0.890 0.000 0.909 587 D HN 0.619 nan 8.370 nan 0.000 0.520 588 D N -0.761 119.285 120.400 -0.589 0.000 2.538 588 D HA -0.010 4.630 4.640 -0.000 0.000 0.231 588 D C 0.186 175.797 176.300 -1.147 0.000 1.229 588 D CA -0.327 53.012 54.000 -1.102 0.000 0.828 588 D CB -0.824 39.645 40.800 -0.553 0.000 1.035 588 D HN 0.128 nan 8.370 nan 0.000 0.495 589 Q N 0.328 119.750 119.800 -0.630 0.000 3.254 589 Q HA 0.171 4.511 4.340 -0.000 0.000 0.315 589 Q C 0.002 175.872 176.000 -0.216 0.000 1.405 589 Q CA -0.328 55.291 55.803 -0.308 0.000 0.966 589 Q CB -0.168 28.536 28.738 -0.057 0.000 1.706 589 Q HN 0.206 nan 8.270 nan 0.000 0.525 590 F N -1.072 118.917 119.950 0.066 0.000 2.234 590 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 590 F C 1.310 177.168 175.800 0.096 0.000 1.087 590 F CA 0.563 58.607 58.000 0.073 0.000 1.340 590 F CB 0.132 39.162 39.000 0.050 0.000 1.031 590 F HN -0.023 nan 8.300 nan 0.000 0.500 591 T N 2.446 117.141 114.554 0.235 0.000 3.336 591 T HA 0.400 4.750 4.350 -0.000 0.000 0.384 591 T C -0.795 174.001 174.700 0.160 0.000 1.704 591 T CA -0.166 62.046 62.100 0.186 0.000 1.334 591 T CB 0.060 69.025 68.868 0.162 0.000 1.131 591 T HN -0.106 nan 8.240 nan 0.000 0.684 592 L N 4.312 125.649 121.223 0.189 0.000 2.366 592 L HA 0.548 4.888 4.340 -0.000 0.000 0.266 592 L C -1.067 175.963 176.870 0.267 0.000 1.010 592 L CA -0.329 54.657 54.840 0.245 0.000 0.879 592 L CB 0.441 42.634 42.059 0.223 0.000 1.228 592 L HN 0.246 nan 8.230 nan 0.000 0.439 593 N N 3.956 122.759 118.700 0.171 0.000 2.284 593 N HA 0.351 5.091 4.740 -0.000 0.000 0.300 593 N C -0.836 174.488 175.510 -0.309 0.000 1.047 593 N CA -0.703 52.351 53.050 0.006 0.000 0.821 593 N CB 2.647 41.112 38.487 -0.036 0.000 1.337 593 N HN 0.475 nan 8.380 nan 0.000 0.482 594 L N 2.705 123.677 121.223 -0.418 0.000 2.714 594 L HA -0.185 4.155 4.340 -0.000 0.000 0.301 594 L C 0.873 177.388 176.870 -0.592 0.000 1.248 594 L CA 1.112 55.531 54.840 -0.701 0.000 0.885 594 L CB -0.257 41.423 42.059 -0.633 0.000 1.143 594 L HN 0.657 nan 8.230 nan 0.000 0.500 595 N N 0.871 119.207 118.700 -0.606 0.000 2.948 595 N HA -0.200 4.540 4.740 -0.000 0.000 0.239 595 N C -0.587 174.785 175.510 -0.231 0.000 0.954 595 N CA 1.178 54.032 53.050 -0.327 0.000 0.941 595 N CB -1.118 37.223 38.487 -0.243 0.000 1.101 595 N HN 0.725 nan 8.380 nan 0.000 0.579 596 D N 0.204 120.447 120.400 -0.262 0.000 2.399 596 D HA 0.318 4.958 4.640 -0.000 0.000 0.241 596 D C 1.423 177.724 176.300 0.001 0.000 1.133 596 D CA 0.595 54.551 54.000 -0.072 0.000 0.890 596 D CB 0.752 41.568 40.800 0.027 0.000 1.201 596 D HN 0.267 nan 8.370 nan 0.000 0.432 597 A N 2.189 125.022 122.820 0.023 0.000 1.930 597 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 597 A C 1.020 178.653 177.584 0.082 0.000 1.175 597 A CA 1.048 53.111 52.037 0.042 0.000 0.627 597 A CB 0.039 19.055 19.000 0.027 0.000 0.815 597 A HN 0.487 nan 8.150 nan 0.000 0.443 598 D N -1.080 119.376 120.400 0.092 0.000 2.443 598 D HA 0.330 4.970 4.640 -0.000 0.000 0.221 598 D C -1.686 174.730 176.300 0.192 0.000 1.097 598 D CA -0.189 53.877 54.000 0.111 0.000 0.865 598 D CB 0.061 40.905 40.800 0.074 0.000 1.034 598 D HN 0.369 nan 8.370 nan 0.000 0.511 599 Y N 2.849 123.170 120.300 0.035 0.000 2.349 599 Y HA 0.262 4.812 4.550 -0.000 0.000 0.324 599 Y C -1.049 174.881 175.900 0.049 0.000 1.005 599 Y CA -0.802 57.324 58.100 0.043 0.000 1.240 599 Y CB 1.257 39.740 38.460 0.039 0.000 1.117 599 Y HN 0.109 nan 8.280 nan 0.000 0.463 600 D N 8.586 128.870 120.400 -0.194 0.000 2.739 600 D HA 0.286 4.926 4.640 -0.000 0.000 0.335 600 D C -2.902 173.235 176.300 -0.273 0.000 1.216 600 D CA -1.970 51.914 54.000 -0.194 0.000 0.808 600 D CB 0.992 41.796 40.800 0.007 0.000 1.121 600 D HN 0.234 nan 8.370 nan 0.000 0.499 601 P HA 0.101 nan 4.420 nan 0.000 0.278 601 P C 0.890 178.001 177.300 -0.316 0.000 1.258 601 P CA -0.695 62.212 63.100 -0.323 0.000 0.811 601 P CB 1.740 33.235 31.700 -0.342 0.000 1.063 602 L N 0.761 121.792 121.223 -0.320 0.000 2.023 602 L HA 0.194 4.534 4.340 -0.000 0.000 0.205 602 L C 0.220 176.536 176.870 -0.922 0.000 1.073 602 L CA 1.874 56.319 54.840 -0.659 0.000 0.745 602 L CB -0.647 40.962 42.059 -0.750 0.000 0.900 602 L HN 0.187 nan 8.230 nan 0.000 0.435 603 F N 0.074 119.896 119.950 -0.214 0.000 2.507 603 F HA 0.668 5.195 4.527 0.000 0.000 0.328 603 F C 0.492 176.262 175.800 -0.051 0.000 1.136 603 F CA -0.983 56.749 58.000 -0.447 0.000 0.930 603 F CB 0.477 38.972 39.000 -0.841 0.000 1.166 603 F HN -0.020 nan 8.300 nan 0.000 0.436 604 A N 2.630 125.556 122.820 0.175 0.000 2.366 604 A HA 0.267 4.587 4.320 -0.000 0.000 0.249 604 A C -0.724 177.145 177.584 0.475 0.000 1.084 604 A CA -0.385 51.845 52.037 0.320 0.000 0.794 604 A CB 0.003 19.187 19.000 0.306 0.000 1.034 604 A HN 0.784 nan 8.150 nan 0.000 0.491 605 Y N 0.676 121.215 120.300 0.398 0.000 2.811 605 Y HA 0.250 4.800 4.550 0.000 0.000 0.334 605 Y C 1.429 177.482 175.900 0.255 0.000 1.247 605 Y CA 1.520 59.797 58.100 0.296 0.000 1.526 605 Y CB 0.218 38.790 38.460 0.186 0.000 1.284 605 Y HN 1.560 nan 8.280 nan 0.000 0.586 606 G N 3.494 112.185 108.800 -0.181 0.000 2.176 606 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.253 606 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.253 606 G C -0.456 174.509 174.900 0.108 0.000 0.979 606 G CA 0.086 45.151 45.100 -0.059 0.000 0.641 606 G HN 0.923 nan 8.290 nan 0.000 0.530 607 Y N 1.195 121.538 120.300 0.072 0.000 2.304 607 Y HA 0.524 5.074 4.550 -0.000 0.000 0.328 607 Y C 0.494 176.397 175.900 0.005 0.000 1.123 607 Y CA 0.297 58.438 58.100 0.068 0.000 1.218 607 Y CB 1.553 40.101 38.460 0.147 0.000 1.207 607 Y HN 0.748 nan 8.280 nan 0.000 0.495 608 G N 6.659 115.049 108.800 -0.682 0.000 2.617 608 G HA2 0.330 4.290 3.960 -0.000 0.000 0.305 608 G HA3 0.330 4.290 3.960 -0.000 0.000 0.305 608 G C -1.913 172.596 174.900 -0.651 0.000 1.436 608 G CA -0.995 43.736 45.100 -0.615 0.000 1.036 608 G HN 0.810 nan 8.290 nan 0.000 0.589 609 L N 1.401 122.211 121.223 -0.689 0.000 2.464 609 L HA 0.644 4.984 4.340 -0.000 0.000 0.264 609 L C 1.304 177.975 176.870 -0.331 0.000 1.199 609 L CA -0.351 54.207 54.840 -0.469 0.000 0.818 609 L CB 1.137 42.949 42.059 -0.412 0.000 1.102 609 L HN 0.748 nan 8.230 nan 0.000 0.473 610 T N -3.447 110.993 114.554 -0.189 0.000 2.858 610 T HA 0.322 4.672 4.350 -0.000 0.000 0.285 610 T C 0.608 175.330 174.700 0.036 0.000 1.052 610 T CA -0.595 61.444 62.100 -0.102 0.000 1.009 610 T CB 0.664 69.504 68.868 -0.047 0.000 1.241 610 T HN 0.407 nan 8.240 nan 0.000 0.542 611 Y N -0.459 119.896 120.300 0.093 0.000 2.583 611 Y HA 0.005 4.555 4.550 -0.000 0.000 0.293 611 Y C 2.777 178.690 175.900 0.022 0.000 1.157 611 Y CA -0.145 57.993 58.100 0.063 0.000 1.315 611 Y CB 0.103 38.615 38.460 0.086 0.000 1.021 611 Y HN 0.598 nan 8.280 nan 0.000 0.536 612 Q N 0.460 120.347 119.800 0.145 0.000 2.311 612 Q HA -0.055 4.285 4.340 -0.000 0.000 0.203 612 Q C -0.163 175.864 176.000 0.045 0.000 0.954 612 Q CA 0.542 56.390 55.803 0.075 0.000 0.885 612 Q CB 0.271 29.034 28.738 0.043 0.000 0.963 612 Q HN 0.275 nan 8.270 nan 0.000 0.471 613 D N 0.251 120.671 120.400 0.033 0.000 2.313 613 D HA 0.097 4.737 4.640 -0.000 0.000 0.247 613 D C -0.339 175.972 176.300 0.018 0.000 1.094 613 D CA 0.035 54.039 54.000 0.007 0.000 0.925 613 D CB 0.704 41.484 40.800 -0.033 0.000 1.188 613 D HN 0.096 nan 8.370 nan 0.000 0.430 614 N N 1.599 120.304 118.700 0.008 0.000 2.696 614 N HA 0.221 4.961 4.740 -0.000 0.000 0.308 614 N C -0.506 175.006 175.510 0.003 0.000 1.915 614 N CA -0.172 52.882 53.050 0.006 0.000 0.906 614 N CB 0.985 39.475 38.487 0.005 0.000 1.284 614 N HN 0.298 nan 8.380 nan 0.000 0.488 615 I N 0.764 121.334 120.570 -0.001 0.000 2.365 615 I HA 0.177 4.347 4.170 -0.000 0.000 0.291 615 I C 0.185 176.305 176.117 0.005 0.000 1.004 615 I CA -0.431 60.873 61.300 0.008 0.000 1.311 615 I CB 0.768 38.776 38.000 0.014 0.000 1.401 615 I HN -0.050 nan 8.210 nan 0.000 0.491 616 N N 5.481 124.186 118.700 0.009 0.000 2.419 616 N HA 0.281 5.021 4.740 -0.000 0.000 0.277 616 N C -0.713 174.805 175.510 0.013 0.000 1.006 616 N CA -0.364 52.688 53.050 0.003 0.000 0.923 616 N CB 2.386 40.872 38.487 -0.002 0.000 1.140 616 N HN 0.218 nan 8.380 nan 0.000 0.488 617 V N 5.217 125.137 119.914 0.009 0.000 2.461 617 V HA 0.243 4.363 4.120 -0.000 0.000 0.275 617 V C -1.568 174.517 176.094 -0.014 0.000 1.047 617 V CA -1.157 61.154 62.300 0.019 0.000 0.955 617 V CB 1.061 32.906 31.823 0.036 0.000 0.988 617 V HN 0.561 nan 8.190 nan 0.000 0.471 618 P HA 0.206 nan 4.420 nan 0.000 0.276 618 P C -0.299 176.967 177.300 -0.056 0.000 1.261 618 P CA -0.347 62.732 63.100 -0.035 0.000 0.800 618 P CB 0.758 32.439 31.700 -0.033 0.000 1.066 619 V N 1.750 121.633 119.914 -0.051 0.000 2.557 619 V HA -0.062 4.058 4.120 -0.000 0.000 0.301 619 V C 0.844 176.894 176.094 -0.073 0.000 1.026 619 V CA 0.511 62.775 62.300 -0.061 0.000 1.137 619 V CB -0.548 31.251 31.823 -0.041 0.000 0.917 619 V HN 0.298 nan 8.190 nan 0.000 0.484 620 L N 4.075 125.235 121.223 -0.105 0.000 2.387 620 L HA 0.415 4.754 4.340 -0.000 0.000 0.266 620 L C 0.700 177.531 176.870 -0.064 0.000 1.059 620 L CA 0.168 54.937 54.840 -0.118 0.000 0.801 620 L CB 1.197 43.133 42.059 -0.204 0.000 1.223 620 L HN 0.713 nan 8.230 nan 0.000 0.456 621 S N 0.264 115.952 115.700 -0.020 0.000 2.549 621 S HA 0.037 4.507 4.470 -0.000 0.000 0.286 621 S C 0.680 175.369 174.600 0.148 0.000 1.314 621 S CA 0.084 58.329 58.200 0.074 0.000 1.062 621 S CB 0.147 63.423 63.200 0.126 0.000 0.865 621 S HN 0.617 nan 8.310 nan 0.000 0.498 622 E N 2.203 122.510 120.200 0.178 0.000 2.583 622 E HA 0.125 4.475 4.350 -0.000 0.000 0.213 622 E C -0.231 176.603 176.600 0.390 0.000 0.989 622 E CA -0.230 56.329 56.400 0.266 0.000 0.991 622 E CB 0.465 30.234 29.700 0.115 0.000 1.040 622 E HN 0.549 nan 8.360 nan 0.000 0.481 623 K N 2.414 122.988 120.400 0.290 0.000 2.368 623 K HA 0.064 4.384 4.320 -0.000 0.000 0.282 623 K C -0.132 176.538 176.600 0.116 0.000 1.035 623 K CA 0.164 56.560 56.287 0.182 0.000 0.973 623 K CB 0.605 33.181 32.500 0.126 0.000 0.957 623 K HN -0.057 nan 8.250 nan 0.000 0.474 624 T N 0.228 114.789 114.554 0.012 0.000 2.895 624 T HA 0.301 4.651 4.350 -0.000 0.000 0.283 624 T C 0.045 174.667 174.700 -0.131 0.000 1.014 624 T CA -1.025 60.972 62.100 -0.172 0.000 1.037 624 T CB 1.491 70.314 68.868 -0.075 0.000 1.006 624 T HN 0.538 nan 8.240 nan 0.000 0.468 625 S N 2.346 117.928 115.700 -0.197 0.000 2.562 625 S HA 0.421 4.891 4.470 -0.000 0.000 0.281 625 S C -1.946 172.609 174.600 -0.074 0.000 1.333 625 S CA -0.866 57.250 58.200 -0.140 0.000 1.052 625 S CB -0.783 62.312 63.200 -0.176 0.000 0.884 625 S HN 0.721 nan 8.310 nan 0.000 0.506 635 H N 4.409 123.538 119.070 0.098 0.000 3.078 635 H HA 0.569 5.125 4.556 -0.000 0.000 0.319 635 H C -2.980 172.337 175.328 -0.019 0.000 0.995 635 H CA -1.207 54.884 56.048 0.071 0.000 1.417 635 H CB 1.467 31.317 29.762 0.147 0.000 1.598 635 H HN 0.306 nan 8.280 nan 0.000 0.515 636 P HA 0.061 nan 4.420 nan 0.000 0.271 636 P C 0.145 177.247 177.300 -0.330 0.000 1.216 636 P CA -0.001 62.935 63.100 -0.273 0.000 0.776 636 P CB 1.391 32.955 31.700 -0.226 0.000 0.881 637 L N 1.182 122.299 121.223 -0.177 0.000 2.588 637 L HA 0.351 4.691 4.340 -0.000 0.000 0.194 637 L C 0.368 177.193 176.870 -0.075 0.000 1.070 637 L CA 0.347 55.094 54.840 -0.155 0.000 0.852 637 L CB 0.152 42.121 42.059 -0.149 0.000 1.199 637 L HN 0.260 nan 8.230 nan 0.000 0.486 638 F N 1.380 121.237 119.950 -0.154 0.000 2.610 638 F HA 0.531 5.058 4.527 -0.000 0.000 0.355 638 F C -1.115 174.672 175.800 -0.021 0.000 1.140 638 F CA -0.621 57.333 58.000 -0.077 0.000 1.037 638 F CB 1.311 40.304 39.000 -0.012 0.000 1.287 638 F HN -0.382 nan 8.300 nan 0.000 0.457 639 V N 7.511 127.145 119.914 -0.468 0.000 2.315 639 V HA 0.396 4.516 4.120 -0.000 0.000 0.265 639 V C 0.408 176.214 176.094 -0.480 0.000 1.019 639 V CA -0.470 61.601 62.300 -0.382 0.000 0.824 639 V CB 0.650 32.352 31.823 -0.200 0.000 1.072 639 V HN 0.910 nan 8.190 nan 0.000 0.448 640 R N 0.874 120.997 120.500 -0.628 0.000 3.728 640 R HA -0.160 4.180 4.340 -0.000 0.000 0.478 640 R C 0.411 176.394 176.300 -0.528 0.000 0.932 640 R CA 1.056 56.871 56.100 -0.475 0.000 1.317 640 R CB -1.542 28.543 30.300 -0.359 0.000 1.987 640 R HN 0.933 nan 8.270 nan 0.000 0.509 641 S N -1.081 114.120 115.700 -0.833 0.000 2.643 641 S HA 0.471 4.940 4.470 -0.000 0.000 0.266 641 S C -0.517 173.771 174.600 -0.520 0.000 1.130 641 S CA -1.224 56.673 58.200 -0.504 0.000 0.817 641 S CB 1.309 64.402 63.200 -0.179 0.000 1.107 641 S HN 0.105 nan 8.310 nan 0.000 0.471 642 L N 1.896 123.153 121.223 0.057 0.000 2.453 642 L HA 0.500 4.840 4.340 -0.000 0.000 0.272 642 L C 1.224 178.057 176.870 -0.061 0.000 1.182 642 L CA 0.024 54.923 54.840 0.098 0.000 0.858 642 L CB 0.348 42.475 42.059 0.113 0.000 1.120 642 L HN 0.989 nan 8.230 nan 0.000 0.474 643 A N 4.960 127.720 122.820 -0.100 0.000 2.327 643 A HA 0.229 4.549 4.320 -0.000 0.000 0.255 643 A C 0.113 177.659 177.584 -0.063 0.000 1.099 643 A CA -0.509 51.462 52.037 -0.111 0.000 0.801 643 A CB 0.256 19.163 19.000 -0.155 0.000 1.062 643 A HN 0.605 nan 8.150 nan 0.000 0.496 644 K N 0.981 121.357 120.400 -0.040 0.000 2.451 644 K HA -0.018 4.302 4.320 -0.000 0.000 0.280 644 K C 0.254 176.871 176.600 0.029 0.000 1.020 644 K CA 0.889 57.175 56.287 -0.000 0.000 1.008 644 K CB 0.241 32.749 32.500 0.013 0.000 0.917 644 K HN 0.846 nan 8.250 nan 0.000 0.478 645 N N 0.793 119.513 118.700 0.034 0.000 2.994 645 N HA -0.140 4.600 4.740 -0.000 0.000 0.221 645 N C -0.904 174.621 175.510 0.026 0.000 0.900 645 N CA 1.056 54.149 53.050 0.071 0.000 1.008 645 N CB -0.489 38.090 38.487 0.154 0.000 1.053 645 N HN 0.393 nan 8.380 nan 0.000 0.580 646 M N 0.171 119.730 119.600 -0.068 0.000 2.409 646 M HA 0.601 5.081 4.480 -0.000 0.000 0.329 646 M C 0.679 176.881 176.300 -0.162 0.000 1.180 646 M CA -0.232 54.950 55.300 -0.196 0.000 1.053 646 M CB 1.054 33.476 32.600 -0.297 0.000 1.586 646 M HN 0.162 nan 8.290 nan 0.000 0.461 647 T N 0.529 114.947 114.554 -0.226 0.000 2.889 647 T HA 0.616 4.966 4.350 -0.000 0.000 0.315 647 T C -2.010 172.555 174.700 -0.225 0.000 1.291 647 T CA -0.497 61.513 62.100 -0.150 0.000 1.028 647 T CB 0.839 69.694 68.868 -0.021 0.000 1.235 647 T HN 0.538 nan 8.240 nan 0.000 0.491 648 W N 2.056 123.364 121.300 0.013 0.000 2.303 648 W HA 0.622 5.282 4.660 -0.000 0.000 0.334 648 W C 0.452 176.971 176.519 0.000 0.000 1.197 648 W CA -0.560 56.787 57.345 0.004 0.000 1.262 648 W CB 0.791 30.280 29.460 0.048 0.000 1.153 648 W HN 0.431 nan 8.180 nan 0.000 0.596 649 Q N 2.282 122.223 119.800 0.236 0.000 2.321 649 Q HA 0.439 4.779 4.340 -0.000 0.000 0.270 649 Q C -1.456 174.605 176.000 0.101 0.000 1.032 649 Q CA -1.183 54.698 55.803 0.130 0.000 0.784 649 Q CB 2.272 31.059 28.738 0.082 0.000 1.264 649 Q HN 0.248 nan 8.270 nan 0.000 0.448 650 L N 2.105 123.366 121.223 0.063 0.000 2.294 650 L HA 0.678 5.018 4.340 -0.000 0.000 0.283 650 L C -0.736 176.138 176.870 0.007 0.000 1.015 650 L CA -0.140 54.705 54.840 0.008 0.000 0.831 650 L CB 1.769 43.816 42.059 -0.021 0.000 1.217 650 L HN 0.680 nan 8.230 nan 0.000 0.420 651 A N 3.197 126.024 122.820 0.012 0.000 2.359 651 A HA 0.770 5.090 4.320 -0.000 0.000 0.303 651 A C -1.122 176.479 177.584 0.029 0.000 1.066 651 A CA -0.630 51.423 52.037 0.025 0.000 0.730 651 A CB 0.970 19.995 19.000 0.043 0.000 1.211 651 A HN 0.645 nan 8.150 nan 0.000 0.439 652 D N 0.574 120.987 120.400 0.021 0.000 2.497 652 D HA 0.383 5.023 4.640 -0.000 0.000 0.243 652 D C 0.192 176.508 176.300 0.028 0.000 1.039 652 D CA -0.043 53.973 54.000 0.027 0.000 1.052 652 D CB 1.276 42.081 40.800 0.009 0.000 1.344 652 D HN 0.379 nan 8.370 nan 0.000 0.553 653 T N -2.541 112.031 114.554 0.029 0.000 3.327 653 T HA 0.330 4.679 4.350 -0.000 0.000 0.241 653 T C 0.354 175.064 174.700 0.017 0.000 0.907 653 T CA -0.346 61.769 62.100 0.024 0.000 0.931 653 T CB -0.495 68.388 68.868 0.026 0.000 1.112 653 T HN 0.282 nan 8.240 nan 0.000 0.589 654 S N 0.292 116.000 115.700 0.013 0.000 2.918 654 S HA 0.229 4.699 4.470 -0.000 0.000 0.264 654 S C 0.955 175.560 174.600 0.007 0.000 1.078 654 S CA 0.149 58.355 58.200 0.009 0.000 0.918 654 S CB 0.845 64.049 63.200 0.006 0.000 0.882 654 S HN 0.819 nan 8.310 nan 0.000 0.466 655 T N -0.315 114.243 114.554 0.007 0.000 2.676 655 T HA 0.603 4.953 4.350 -0.000 0.000 0.269 655 T C -0.871 173.835 174.700 0.009 0.000 0.952 655 T CA -0.695 61.409 62.100 0.006 0.000 1.040 655 T CB 1.370 70.239 68.868 0.002 0.000 1.352 655 T HN 0.062 nan 8.240 nan 0.000 0.554 656 Q N 0.797 120.602 119.800 0.009 0.000 2.227 656 Q HA 0.352 4.692 4.340 -0.000 0.000 0.245 656 Q C -0.270 175.739 176.000 0.014 0.000 0.926 656 Q CA -0.978 54.833 55.803 0.012 0.000 0.895 656 Q CB 0.918 29.663 28.738 0.011 0.000 1.230 656 Q HN 0.636 nan 8.270 nan 0.000 0.450 657 K N 0.323 120.735 120.400 0.020 0.000 2.485 657 K HA 0.121 4.441 4.320 -0.000 0.000 0.277 657 K C -0.823 175.791 176.600 0.024 0.000 0.990 657 K CA -0.198 56.104 56.287 0.025 0.000 0.994 657 K CB 0.306 32.825 32.500 0.032 0.000 0.906 657 K HN 0.182 nan 8.250 nan 0.000 0.488 658 V N 3.440 123.370 119.914 0.027 0.000 2.459 658 V HA 0.165 4.285 4.120 -0.000 0.000 0.295 658 V C -0.530 175.596 176.094 0.052 0.000 1.029 658 V CA -1.080 61.238 62.300 0.029 0.000 0.874 658 V CB 1.311 33.143 31.823 0.015 0.000 0.985 658 V HN 0.531 nan 8.190 nan 0.000 0.438 659 L N 4.819 126.074 121.223 0.053 0.000 2.257 659 L HA 0.695 5.035 4.340 -0.000 0.000 0.290 659 L C 0.446 177.369 176.870 0.088 0.000 1.044 659 L CA 0.055 54.938 54.840 0.072 0.000 0.810 659 L CB 1.031 43.123 42.059 0.054 0.000 1.193 659 L HN 0.776 nan 8.230 nan 0.000 0.425 660 A N 2.098 125.004 122.820 0.144 0.000 2.291 660 A HA 0.628 4.948 4.320 -0.000 0.000 0.311 660 A C 0.404 178.133 177.584 0.241 0.000 1.224 660 A CA -0.328 51.808 52.037 0.165 0.000 0.821 660 A CB 0.818 19.913 19.000 0.158 0.000 1.172 660 A HN 0.690 nan 8.150 nan 0.000 0.494 661 S N 1.570 117.374 115.700 0.172 0.000 2.593 661 S HA 0.398 4.868 4.470 -0.000 0.000 0.236 661 S C 0.862 175.573 174.600 0.186 0.000 0.991 661 S CA 0.149 58.463 58.200 0.191 0.000 0.963 661 S CB 0.234 63.500 63.200 0.110 0.000 0.865 661 S HN 1.083 nan 8.310 nan 0.000 0.488 662 G N 0.644 109.534 108.800 0.149 0.000 2.537 662 G HA2 0.609 4.569 3.960 -0.000 0.000 0.297 662 G HA3 0.609 4.569 3.960 -0.000 0.000 0.297 662 G C 0.803 175.755 174.900 0.087 0.000 1.310 662 G CA -0.350 44.805 45.100 0.092 0.000 1.027 662 G HN 0.333 nan 8.290 nan 0.000 0.505 663 A N -0.963 121.874 122.820 0.028 0.000 2.119 663 A HA 0.410 4.730 4.320 -0.000 0.000 0.216 663 A C 1.392 178.906 177.584 -0.117 0.000 1.152 663 A CA 1.421 53.451 52.037 -0.012 0.000 0.708 663 A CB -0.414 18.586 19.000 0.000 0.000 0.805 663 A HN 1.393 nan 8.150 nan 0.000 0.460 664 S N -2.500 113.130 115.700 -0.116 0.000 2.569 664 S HA 0.859 5.328 4.470 -0.000 0.000 0.280 664 S C -0.631 173.896 174.600 -0.121 0.000 1.111 664 S CA -0.055 58.051 58.200 -0.156 0.000 0.887 664 S CB 1.782 64.891 63.200 -0.152 0.000 1.095 664 S HN 1.727 nan 8.310 nan 0.000 0.476 665 A N 0.925 123.664 122.820 -0.135 0.000 2.569 665 A HA 0.766 5.086 4.320 -0.000 0.000 0.292 665 A C -0.337 177.186 177.584 -0.101 0.000 1.032 665 A CA -0.274 51.709 52.037 -0.090 0.000 0.669 665 A CB 0.538 19.509 19.000 -0.049 0.000 1.290 665 A HN 1.940 nan 8.150 nan 0.000 0.422 666 T N -1.028 113.481 114.554 -0.075 0.000 2.940 666 T HA 0.802 5.152 4.350 -0.000 0.000 0.288 666 T C 0.637 175.300 174.700 -0.062 0.000 1.045 666 T CA 0.271 62.323 62.100 -0.080 0.000 1.018 666 T CB 1.225 70.052 68.868 -0.068 0.000 1.151 666 T HN 2.212 nan 8.240 nan 0.000 0.529 667 S N 0.200 115.856 115.700 -0.073 0.000 2.606 667 S HA 0.380 4.849 4.470 -0.000 0.000 0.257 667 S C 1.844 176.424 174.600 -0.032 0.000 1.327 667 S CA -0.122 58.047 58.200 -0.051 0.000 0.984 667 S CB -0.175 62.988 63.200 -0.062 0.000 0.941 667 S HN 1.264 nan 8.310 nan 0.000 0.576 668 G N 0.899 109.688 108.800 -0.018 0.000 2.442 668 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 668 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 668 G C 1.033 175.924 174.900 -0.015 0.000 1.141 668 G CA 1.000 46.093 45.100 -0.012 0.000 0.763 668 G HN 0.968 nan 8.290 nan 0.000 0.554 669 D N 0.039 120.429 120.400 -0.016 0.000 2.336 669 D HA 0.016 4.655 4.640 -0.000 0.000 0.229 669 D C 0.778 177.065 176.300 -0.021 0.000 1.061 669 D CA 0.296 54.287 54.000 -0.015 0.000 0.875 669 D CB -0.160 40.634 40.800 -0.010 0.000 0.904 669 D HN 0.202 nan 8.370 nan 0.000 0.525 670 K N -0.905 119.478 120.400 -0.028 0.000 3.130 670 K HA -0.264 4.056 4.320 -0.000 0.000 0.282 670 K C 0.914 177.493 176.600 -0.036 0.000 1.145 670 K CA 1.378 57.644 56.287 -0.035 0.000 0.831 670 K CB -1.775 30.706 32.500 -0.031 0.000 1.226 670 K HN 0.458 nan 8.250 nan 0.000 0.478 671 Q N -2.341 117.438 119.800 -0.036 0.000 2.225 671 Q HA 0.192 4.532 4.340 -0.000 0.000 0.230 671 Q C 0.964 176.942 176.000 -0.036 0.000 0.729 671 Q CA 0.408 56.192 55.803 -0.031 0.000 0.918 671 Q CB 0.386 29.113 28.738 -0.018 0.000 1.262 671 Q HN 0.192 nan 8.270 nan 0.000 0.473 672 S N 0.433 116.109 115.700 -0.039 0.000 2.377 672 S HA 0.072 4.542 4.470 -0.000 0.000 0.223 672 S C 0.170 174.710 174.600 -0.101 0.000 1.030 672 S CA 0.595 58.776 58.200 -0.033 0.000 0.970 672 S CB 0.208 63.403 63.200 -0.008 0.000 0.830 672 S HN 0.321 nan 8.310 nan 0.000 0.473 673 L N 1.586 122.707 121.223 -0.170 0.000 2.439 673 L HA 0.546 4.886 4.340 -0.000 0.000 0.270 673 L C -1.888 174.835 176.870 -0.246 0.000 0.972 673 L CA -0.442 54.195 54.840 -0.337 0.000 0.836 673 L CB 1.303 43.094 42.059 -0.447 0.000 1.255 673 L HN 0.047 nan 8.230 nan 0.000 0.404 674 L N 5.173 126.248 121.223 -0.247 0.000 2.349 674 L HA 0.608 4.948 4.340 -0.000 0.000 0.278 674 L C -0.208 176.522 176.870 -0.235 0.000 0.996 674 L CA -0.476 54.252 54.840 -0.187 0.000 0.825 674 L CB 1.716 43.694 42.059 -0.136 0.000 1.243 674 L HN 0.674 nan 8.230 nan 0.000 0.412 675 M N 3.442 122.891 119.600 -0.252 0.000 2.209 675 M HA 0.471 4.951 4.480 -0.000 0.000 0.355 675 M C -0.813 175.233 176.300 -0.423 0.000 1.171 675 M CA -0.053 54.966 55.300 -0.468 0.000 1.069 675 M CB 1.483 33.822 32.600 -0.435 0.000 1.622 675 M HN 0.657 nan 8.290 nan 0.000 0.459 676 Q N 2.349 121.839 119.800 -0.516 0.000 2.495 676 Q HA 0.539 4.878 4.340 -0.000 0.000 0.287 676 Q C -1.207 174.604 176.000 -0.315 0.000 1.078 676 Q CA -0.606 55.012 55.803 -0.309 0.000 0.793 676 Q CB 2.307 30.940 28.738 -0.176 0.000 1.459 676 Q HN 0.805 nan 8.270 nan 0.000 0.422 677 S N 0.216 115.837 115.700 -0.133 0.000 2.592 677 S HA 0.732 5.202 4.470 -0.000 0.000 0.271 677 S C 0.207 174.795 174.600 -0.019 0.000 1.326 677 S CA -0.035 58.127 58.200 -0.063 0.000 1.024 677 S CB 0.712 63.943 63.200 0.051 0.000 0.921 677 S HN 0.929 nan 8.310 nan 0.000 0.527 678 V N -0.850 119.066 119.914 0.003 0.000 3.158 678 V HA 0.696 4.816 4.120 -0.000 0.000 0.311 678 V C -1.292 174.827 176.094 0.042 0.000 1.181 678 V CA -1.263 61.063 62.300 0.043 0.000 1.054 678 V CB 1.969 33.865 31.823 0.121 0.000 1.085 678 V HN 0.901 nan 8.190 nan 0.000 0.446 679 N N 1.419 120.137 118.700 0.030 0.000 2.524 679 N HA 0.503 5.243 4.740 -0.000 0.000 0.261 679 N C -0.071 175.428 175.510 -0.018 0.000 0.998 679 N CA -0.344 52.694 53.050 -0.020 0.000 0.915 679 N CB 1.981 40.421 38.487 -0.079 0.000 1.187 679 N HN 0.619 nan 8.380 nan 0.000 0.507 680 L N 0.602 121.769 121.223 -0.094 0.000 2.168 680 L HA 0.140 4.480 4.340 -0.000 0.000 0.203 680 L C 1.822 178.561 176.870 -0.219 0.000 1.078 680 L CA 1.291 55.986 54.840 -0.241 0.000 0.780 680 L CB -0.017 41.785 42.059 -0.428 0.000 0.939 680 L HN 0.558 nan 8.230 nan 0.000 0.451 681 S N -3.467 112.112 115.700 -0.202 0.000 3.640 681 S HA 0.208 4.678 4.470 -0.000 0.000 0.246 681 S C 0.001 174.375 174.600 -0.377 0.000 1.133 681 S CA -0.385 57.620 58.200 -0.325 0.000 0.882 681 S CB -0.214 62.722 63.200 -0.439 0.000 1.015 681 S HN 0.041 nan 8.310 nan 0.000 0.469 682 Y N 2.829 123.065 120.300 -0.107 0.000 2.334 682 Y HA 0.609 5.158 4.550 -0.000 0.000 0.325 682 Y C 0.648 176.466 175.900 -0.137 0.000 1.308 682 Y CA -0.729 57.309 58.100 -0.104 0.000 1.389 682 Y CB 0.320 38.716 38.460 -0.107 0.000 1.328 682 Y HN 0.171 nan 8.280 nan 0.000 0.532 683 Q N 1.273 121.047 119.800 -0.043 0.000 2.313 683 Q HA 0.054 4.394 4.340 -0.000 0.000 0.266 683 Q C -0.233 175.708 176.000 -0.099 0.000 0.989 683 Q CA 0.042 55.720 55.803 -0.209 0.000 0.890 683 Q CB 0.483 28.886 28.738 -0.558 0.000 1.200 683 Q HN 0.733 nan 8.270 nan 0.000 0.396 684 E N 0.898 121.058 120.200 -0.067 0.000 2.416 684 E HA -0.216 4.134 4.350 -0.000 0.000 0.249 684 E C -0.401 176.246 176.600 0.078 0.000 1.124 684 E CA 0.795 57.205 56.400 0.016 0.000 0.732 684 E CB -0.798 28.919 29.700 0.027 0.000 1.286 684 E HN 0.685 nan 8.360 nan 0.000 0.394 685 D N -0.908 119.541 120.400 0.081 0.000 2.379 685 D HA 0.133 4.773 4.640 -0.000 0.000 0.208 685 D C 0.943 177.399 176.300 0.260 0.000 1.065 685 D CA 0.693 54.757 54.000 0.107 0.000 0.848 685 D CB 0.264 41.108 40.800 0.072 0.000 0.949 685 D HN 0.246 nan 8.370 nan 0.000 0.509 686 G N -0.470 108.464 108.800 0.224 0.000 2.568 686 G HA2 0.633 4.593 3.960 -0.000 0.000 0.313 686 G HA3 0.633 4.593 3.960 -0.000 0.000 0.313 686 G C -0.625 174.347 174.900 0.120 0.000 1.227 686 G CA -0.866 44.386 45.100 0.252 0.000 0.979 686 G HN -0.118 nan 8.290 nan 0.000 0.486 687 R N -0.688 119.781 120.500 -0.051 0.000 2.599 687 R HA 0.592 4.932 4.340 -0.000 0.000 0.295 687 R C -0.042 175.968 176.300 -0.484 0.000 0.963 687 R CA -0.684 55.140 56.100 -0.461 0.000 0.883 687 R CB 1.769 31.504 30.300 -0.941 0.000 1.171 687 R HN 0.695 nan 8.270 nan 0.000 0.450 688 G N 1.763 110.175 108.800 -0.646 0.000 2.400 688 G HA2 0.700 4.659 3.960 -0.000 0.000 0.333 688 G HA3 0.700 4.659 3.960 -0.000 0.000 0.333 688 G C -1.144 173.217 174.900 -0.899 0.000 1.143 688 G CA -0.261 44.558 45.100 -0.467 0.000 0.914 688 G HN 0.290 nan 8.290 nan 0.000 0.480 689 F N 0.170 120.035 119.950 -0.141 0.000 2.588 689 F HA 0.477 5.004 4.527 0.000 0.000 0.310 689 F C -0.006 175.687 175.800 -0.178 0.000 1.082 689 F CA -1.062 56.768 58.000 -0.283 0.000 0.929 689 F CB 2.705 41.463 39.000 -0.404 0.000 1.254 689 F HN 0.201 nan 8.300 nan 0.000 0.455 690 N N 1.986 120.602 118.700 -0.140 0.000 2.461 690 N HA 0.163 4.903 4.740 -0.000 0.000 0.284 690 N C -1.686 173.755 175.510 -0.114 0.000 1.049 690 N CA -0.406 52.632 53.050 -0.019 0.000 0.889 690 N CB 1.954 40.419 38.487 -0.037 0.000 1.365 690 N HN 0.531 nan 8.380 nan 0.000 0.499 691 W N 2.168 123.457 121.300 -0.018 0.000 2.361 691 W HA 0.321 4.981 4.660 -0.000 0.000 0.309 691 W C 1.088 177.585 176.519 -0.038 0.000 1.122 691 W CA -0.486 56.839 57.345 -0.034 0.000 1.208 691 W CB 1.506 30.926 29.460 -0.067 0.000 1.246 691 W HN 0.397 nan 8.180 nan 0.000 0.490 692 R N 1.890 122.469 120.500 0.131 0.000 2.446 692 R HA 0.447 4.787 4.340 -0.000 0.000 0.254 692 R C 0.217 176.562 176.300 0.074 0.000 0.918 692 R CA -0.007 56.141 56.100 0.080 0.000 1.069 692 R CB 1.135 31.456 30.300 0.035 0.000 1.194 692 R HN 0.298 nan 8.270 nan 0.000 0.534 693 A N 1.038 123.920 122.820 0.103 0.000 2.610 693 A HA 0.295 4.615 4.320 -0.000 0.000 0.291 693 A C -1.423 176.241 177.584 0.133 0.000 1.086 693 A CA -0.784 51.303 52.037 0.083 0.000 0.677 693 A CB 1.313 20.341 19.000 0.047 0.000 1.278 693 A HN 0.043 nan 8.150 nan 0.000 0.414 694 Q N 0.369 120.226 119.800 0.095 0.000 2.339 694 Q HA 0.403 4.743 4.340 -0.000 0.000 0.308 694 Q C -0.206 175.885 176.000 0.153 0.000 1.097 694 Q CA 1.535 57.402 55.803 0.107 0.000 1.007 694 Q CB -0.072 28.699 28.738 0.055 0.000 1.051 694 Q HN 1.778 nan 8.270 nan 0.000 0.381 695 A N 3.210 126.193 122.820 0.272 0.000 2.594 695 A HA 0.846 5.166 4.320 -0.000 0.000 0.295 695 A C -1.631 176.183 177.584 0.383 0.000 1.071 695 A CA -0.266 51.926 52.037 0.259 0.000 0.685 695 A CB 1.464 20.543 19.000 0.131 0.000 1.285 695 A HN 0.895 nan 8.150 nan 0.000 0.405 696 A N 1.031 123.990 122.820 0.231 0.000 2.293 696 A HA 0.612 4.932 4.320 -0.000 0.000 0.312 696 A C -0.816 176.872 177.584 0.173 0.000 1.309 696 A CA -0.366 51.806 52.037 0.226 0.000 0.839 696 A CB 0.288 19.365 19.000 0.128 0.000 1.155 696 A HN 1.726 nan 8.150 nan 0.000 0.501 697 L N 3.443 124.817 121.223 0.252 0.000 2.278 697 L HA 0.554 4.893 4.340 -0.000 0.000 0.287 697 L C -0.142 176.793 176.870 0.108 0.000 1.072 697 L CA 0.504 55.396 54.840 0.087 0.000 0.819 697 L CB 0.991 42.995 42.059 -0.091 0.000 1.176 697 L HN 0.509 nan 8.230 nan 0.000 0.435 698 S N 5.765 121.526 115.700 0.102 0.000 2.472 698 S HA 0.589 5.058 4.470 -0.000 0.000 0.303 698 S C -0.678 173.970 174.600 0.080 0.000 1.099 698 S CA -0.696 57.553 58.200 0.082 0.000 1.077 698 S CB 1.694 64.927 63.200 0.055 0.000 1.031 698 S HN 0.614 nan 8.310 nan 0.000 0.487 699 L N 3.121 124.316 121.223 -0.046 0.000 2.255 699 L HA 0.574 4.914 4.340 -0.000 0.000 0.289 699 L C -0.450 176.257 176.870 -0.272 0.000 1.046 699 L CA 0.449 55.091 54.840 -0.330 0.000 0.816 699 L CB 0.285 42.025 42.059 -0.532 0.000 1.197 699 L HN 0.670 nan 8.230 nan 0.000 0.427 700 S N 3.372 118.917 115.700 -0.258 0.000 2.648 700 S HA 0.563 5.033 4.470 -0.000 0.000 0.305 700 S C -1.141 173.318 174.600 -0.235 0.000 1.094 700 S CA -0.373 57.732 58.200 -0.159 0.000 0.983 700 S CB 1.097 64.277 63.200 -0.033 0.000 1.101 700 S HN 0.391 nan 8.310 nan 0.000 0.514 701 Y N 1.656 121.934 120.300 -0.037 0.000 2.350 701 Y HA 0.306 4.856 4.550 -0.000 0.000 0.340 701 Y C 1.395 177.288 175.900 -0.012 0.000 1.006 701 Y CA -0.400 57.686 58.100 -0.023 0.000 1.166 701 Y CB 0.230 38.686 38.460 -0.007 0.000 1.168 701 Y HN 0.563 nan 8.280 nan 0.000 0.502 702 L N 1.818 123.110 121.223 0.116 0.000 1.957 702 L HA -0.238 4.102 4.340 -0.000 0.000 0.228 702 L C 0.787 177.709 176.870 0.087 0.000 1.086 702 L CA 1.691 56.578 54.840 0.079 0.000 0.796 702 L CB -0.265 41.828 42.059 0.058 0.000 0.900 702 L HN 0.654 nan 8.230 nan 0.000 0.439 703 E N 0.746 121.001 120.200 0.091 0.000 2.146 703 E HA 0.296 4.646 4.350 -0.000 0.000 0.282 703 E C -2.443 174.195 176.600 0.064 0.000 0.989 703 E CA -2.572 53.866 56.400 0.063 0.000 0.799 703 E CB 0.535 30.259 29.700 0.040 0.000 1.088 703 E HN 0.079 nan 8.360 nan 0.000 0.397 704 P HA -0.033 nan 4.420 nan 0.000 0.260 704 P C -0.902 176.313 177.300 -0.142 0.000 1.185 704 P CA 0.332 63.416 63.100 -0.028 0.000 0.763 704 P CB 0.471 32.166 31.700 -0.007 0.000 0.776 705 T N 5.358 119.694 114.554 -0.363 0.000 2.824 705 T HA 0.444 4.794 4.350 -0.000 0.000 0.280 705 T C -2.400 172.118 174.700 -0.304 0.000 0.995 705 T CA -2.269 59.624 62.100 -0.344 0.000 1.009 705 T CB 0.827 69.421 68.868 -0.457 0.000 0.955 705 T HN 0.197 nan 8.240 nan 0.000 0.452 706 P HA 0.140 nan 4.420 nan 0.000 0.268 706 P C -0.393 176.830 177.300 -0.128 0.000 1.208 706 P CA -0.651 62.374 63.100 -0.124 0.000 0.777 706 P CB 0.599 32.252 31.700 -0.079 0.000 0.875 707 L N 2.502 123.680 121.223 -0.076 0.000 2.371 707 L HA 0.187 4.527 4.340 -0.000 0.000 0.272 707 L C 0.704 177.578 176.870 0.007 0.000 1.124 707 L CA 0.102 54.933 54.840 -0.015 0.000 0.816 707 L CB -0.155 41.924 42.059 0.033 0.000 1.129 707 L HN 0.299 nan 8.230 nan 0.000 0.448 708 D N 1.280 121.714 120.400 0.055 0.000 2.458 708 D HA -0.050 4.590 4.640 -0.000 0.000 0.243 708 D C 0.968 177.229 176.300 -0.065 0.000 1.146 708 D CA 0.522 54.504 54.000 -0.030 0.000 0.877 708 D CB 1.248 41.999 40.800 -0.081 0.000 1.176 708 D HN 0.720 nan 8.370 nan 0.000 0.461 709 S N 3.212 118.853 115.700 -0.097 0.000 2.547 709 S HA -0.150 4.319 4.470 -0.000 0.000 0.235 709 S C 1.574 176.081 174.600 -0.156 0.000 0.980 709 S CA 0.598 58.741 58.200 -0.094 0.000 0.941 709 S CB 0.091 63.244 63.200 -0.078 0.000 0.763 709 S HN 0.484 nan 8.310 nan 0.000 0.532 710 K N 0.283 120.513 120.400 -0.284 0.000 2.063 710 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 710 K C 0.187 176.512 176.600 -0.459 0.000 1.048 710 K CA 1.416 57.422 56.287 -0.468 0.000 0.928 710 K CB -0.212 31.811 32.500 -0.795 0.000 0.713 710 K HN 0.540 nan 8.250 nan 0.000 0.442 711 F N 0.487 120.416 119.950 -0.034 0.000 2.730 711 F HA 0.113 4.640 4.527 -0.000 0.000 0.295 711 F C 1.793 177.570 175.800 -0.039 0.000 1.143 711 F CA -0.162 57.825 58.000 -0.021 0.000 1.367 711 F CB 0.064 39.061 39.000 -0.006 0.000 0.970 711 F HN 0.017 nan 8.300 nan 0.000 0.514 712 S N -0.652 115.079 115.700 0.051 0.000 2.402 712 S HA -0.156 4.313 4.470 -0.000 0.000 0.229 712 S C 1.654 176.238 174.600 -0.026 0.000 1.021 712 S CA 1.527 59.733 58.200 0.010 0.000 0.974 712 S CB -0.896 62.277 63.200 -0.044 0.000 0.800 712 S HN 0.402 nan 8.310 nan 0.000 0.484 713 T N -1.361 113.160 114.554 -0.053 0.000 3.269 713 T HA 0.608 4.958 4.350 -0.000 0.000 0.269 713 T C 0.616 175.265 174.700 -0.086 0.000 0.993 713 T CA -0.142 61.904 62.100 -0.090 0.000 0.909 713 T CB 0.200 68.997 68.868 -0.118 0.000 1.115 713 T HN 0.413 nan 8.240 nan 0.000 0.543 714 G N 0.276 109.069 108.800 -0.011 0.000 2.583 714 G HA2 0.636 4.596 3.960 -0.000 0.000 0.280 714 G HA3 0.636 4.596 3.960 -0.000 0.000 0.280 714 G C -1.471 173.314 174.900 -0.192 0.000 1.376 714 G CA -1.052 44.115 45.100 0.111 0.000 1.043 714 G HN 0.442 nan 8.290 nan 0.000 0.538 715 Y N -1.713 118.627 120.300 0.067 0.000 2.477 715 Y HA 0.442 4.992 4.550 -0.000 0.000 0.347 715 Y C -0.366 175.503 175.900 -0.051 0.000 0.981 715 Y CA -0.877 57.228 58.100 0.008 0.000 1.033 715 Y CB 2.473 40.940 38.460 0.012 0.000 1.245 715 Y HN 0.420 nan 8.280 nan 0.000 0.455 716 L N 3.446 124.725 121.223 0.094 0.000 2.260 716 L HA 0.406 4.746 4.340 -0.000 0.000 0.289 716 L C -0.509 176.400 176.870 0.064 0.000 1.057 716 L CA 0.040 54.901 54.840 0.036 0.000 0.811 716 L CB 0.300 42.364 42.059 0.009 0.000 1.184 716 L HN 0.602 nan 8.230 nan 0.000 0.429 717 E N 5.868 126.096 120.200 0.046 0.000 2.202 717 E HA 0.723 5.073 4.350 -0.000 0.000 0.272 717 E C -1.303 175.331 176.600 0.056 0.000 0.951 717 E CA -0.760 55.666 56.400 0.045 0.000 0.813 717 E CB 2.202 31.919 29.700 0.029 0.000 1.151 717 E HN 0.666 nan 8.360 nan 0.000 0.398 718 L N -1.187 120.083 121.223 0.079 0.000 2.556 718 L HA 0.582 4.922 4.340 -0.000 0.000 0.257 718 L C -1.267 175.702 176.870 0.165 0.000 0.955 718 L CA -1.226 53.691 54.840 0.130 0.000 0.850 718 L CB 1.646 43.795 42.059 0.150 0.000 1.398 718 L HN 0.230 nan 8.230 nan 0.000 0.412 719 K N 2.706 123.233 120.400 0.211 0.000 2.143 719 K HA 0.711 5.031 4.320 -0.000 0.000 0.272 719 K C -0.923 175.974 176.600 0.495 0.000 1.001 719 K CA -0.450 56.023 56.287 0.311 0.000 0.915 719 K CB 1.856 34.473 32.500 0.195 0.000 1.047 719 K HN 0.696 nan 8.250 nan 0.000 0.458 720 M N 2.306 122.228 119.600 0.537 0.000 2.433 720 M HA 0.347 4.827 4.480 -0.000 0.000 0.290 720 M C -1.747 174.655 176.300 0.170 0.000 1.173 720 M CA -0.718 54.831 55.300 0.415 0.000 0.905 720 M CB 2.366 35.155 32.600 0.315 0.000 1.692 720 M HN 0.657 nan 8.290 nan 0.000 0.462 721 R N 4.483 124.855 120.500 -0.214 0.000 2.532 721 R HA 0.638 4.978 4.340 -0.000 0.000 0.297 721 R C -2.067 174.100 176.300 -0.221 0.000 0.984 721 R CA -0.461 55.343 56.100 -0.492 0.000 0.884 721 R CB 1.518 30.959 30.300 -1.432 0.000 1.182 721 R HN 0.797 nan 8.270 nan 0.000 0.442 722 I N 5.099 125.606 120.570 -0.105 0.000 2.328 722 I HA 0.158 4.328 4.170 -0.000 0.000 0.287 722 I C 0.149 176.206 176.117 -0.101 0.000 1.012 722 I CA -0.585 60.687 61.300 -0.047 0.000 1.195 722 I CB 1.754 39.763 38.000 0.014 0.000 1.350 722 I HN 0.676 nan 8.210 nan 0.000 0.464 723 D N 4.466 124.800 120.400 -0.109 0.000 2.149 723 D HA -0.047 4.593 4.640 -0.000 0.000 0.206 723 D C 0.821 177.049 176.300 -0.120 0.000 0.967 723 D CA 1.096 55.015 54.000 -0.134 0.000 0.848 723 D CB 0.389 41.108 40.800 -0.135 0.000 0.998 723 D HN 0.363 nan 8.370 nan 0.000 0.474 724 K N 1.045 121.390 120.400 -0.091 0.000 2.507 724 K HA 0.508 4.828 4.320 -0.000 0.000 0.253 724 K C -0.930 175.612 176.600 -0.097 0.000 0.969 724 K CA -0.515 55.718 56.287 -0.090 0.000 0.908 724 K CB 1.612 34.069 32.500 -0.072 0.000 1.127 724 K HN -0.104 nan 8.250 nan 0.000 0.437 725 A N 4.976 127.734 122.820 -0.103 0.000 2.531 725 A HA 0.227 4.547 4.320 -0.000 0.000 0.236 725 A C -2.117 175.376 177.584 -0.152 0.000 1.062 725 A CA -0.924 51.041 52.037 -0.119 0.000 0.760 725 A CB -0.385 18.554 19.000 -0.102 0.000 0.995 725 A HN 0.623 nan 8.150 nan 0.000 0.501 726 P HA 0.122 nan 4.420 nan 0.000 0.274 726 P C 0.429 177.625 177.300 -0.173 0.000 1.291 726 P CA -0.095 62.849 63.100 -0.261 0.000 0.815 726 P CB 0.950 32.381 31.700 -0.447 0.000 0.897 727 E N 2.808 122.929 120.200 -0.131 0.000 2.012 727 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 727 E C 1.529 178.076 176.600 -0.088 0.000 1.007 727 E CA 1.617 57.961 56.400 -0.093 0.000 0.816 727 E CB -0.105 29.553 29.700 -0.071 0.000 0.762 727 E HN 0.588 nan 8.360 nan 0.000 0.451 728 Q N -0.210 119.536 119.800 -0.091 0.000 2.435 728 Q HA 0.122 4.462 4.340 -0.000 0.000 0.207 728 Q C 0.531 176.475 176.000 -0.093 0.000 0.956 728 Q CA 0.620 56.376 55.803 -0.078 0.000 0.917 728 Q CB 0.611 29.311 28.738 -0.064 0.000 0.997 728 Q HN 0.270 nan 8.270 nan 0.000 0.497 729 G N -0.115 108.605 108.800 -0.134 0.000 2.459 729 G HA2 0.235 4.194 3.960 -0.000 0.000 0.685 729 G HA3 0.235 4.194 3.960 -0.000 0.000 0.685 729 G C -1.595 173.167 174.900 -0.230 0.000 1.303 729 G CA -0.602 44.414 45.100 -0.141 0.000 0.907 729 G HN 0.328 nan 8.290 nan 0.000 0.632 730 A N 0.174 122.855 122.820 -0.231 0.000 2.606 730 A HA 0.878 5.198 4.320 -0.000 0.000 0.293 730 A C -0.712 176.878 177.584 0.010 0.000 1.082 730 A CA -0.292 51.521 52.037 -0.372 0.000 0.685 730 A CB 2.144 20.510 19.000 -1.057 0.000 1.284 730 A HN 1.637 nan 8.150 nan 0.000 0.408 731 N N -0.211 118.505 118.700 0.026 0.000 2.284 731 N HA 0.625 5.365 4.740 -0.000 0.000 0.300 731 N C -1.646 174.048 175.510 0.308 0.000 1.047 731 N CA -0.348 52.816 53.050 0.189 0.000 0.821 731 N CB 1.608 40.134 38.487 0.065 0.000 1.337 731 N HN 0.628 nan 8.380 nan 0.000 0.482 732 L N 2.628 124.022 121.223 0.285 0.000 2.318 732 L HA 0.489 4.829 4.340 -0.000 0.000 0.277 732 L C -1.029 175.886 176.870 0.074 0.000 1.008 732 L CA -0.212 54.739 54.840 0.183 0.000 0.846 732 L CB 0.841 42.909 42.059 0.015 0.000 1.220 732 L HN 0.550 nan 8.230 nan 0.000 0.423 733 Q N 3.610 123.453 119.800 0.072 0.000 2.282 733 Q HA 0.706 5.046 4.340 -0.000 0.000 0.260 733 Q C -1.223 174.796 176.000 0.032 0.000 0.964 733 Q CA -0.892 54.936 55.803 0.041 0.000 0.880 733 Q CB 2.955 31.720 28.738 0.044 0.000 1.286 733 Q HN 0.469 nan 8.270 nan 0.000 0.445 734 V N 3.327 123.250 119.914 0.015 0.000 2.604 734 V HA 0.340 4.460 4.120 -0.000 0.000 0.305 734 V C -0.332 175.774 176.094 0.021 0.000 1.043 734 V CA -0.926 61.382 62.300 0.013 0.000 0.888 734 V CB 1.767 33.586 31.823 -0.008 0.000 0.995 734 V HN 0.837 nan 8.190 nan 0.000 0.429 735 M N 2.930 122.553 119.600 0.038 0.000 3.936 735 M HA -0.163 4.317 4.480 -0.000 0.000 0.158 735 M C -0.615 175.715 176.300 0.049 0.000 1.514 735 M CA 0.506 55.841 55.300 0.058 0.000 1.063 735 M CB -1.799 30.828 32.600 0.045 0.000 1.338 735 M HN 0.752 nan 8.290 nan 0.000 0.304 736 c N 2.377 121.015 118.600 0.063 0.000 2.319 736 c HA 0.663 5.233 4.570 -0.000 0.000 0.323 736 c C 1.296 175.417 174.090 0.052 0.000 1.277 736 c CA -0.274 56.084 56.329 0.049 0.000 1.517 736 c CB 1.322 43.860 42.510 0.047 0.000 2.206 736 c HN 0.915 nan 8.230 nan 0.000 0.486 737 S N 2.302 118.021 115.700 0.032 0.000 2.401 737 S HA 0.160 4.630 4.470 -0.000 0.000 0.249 737 S C 1.203 175.819 174.600 0.027 0.000 1.237 737 S CA 0.036 58.251 58.200 0.025 0.000 1.000 737 S CB 0.208 63.413 63.200 0.010 0.000 1.013 737 S HN 0.805 nan 8.310 nan 0.000 0.494 738 E N 0.796 121.008 120.200 0.020 0.000 2.028 738 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 738 E C 2.098 178.708 176.600 0.017 0.000 0.988 738 E CA 0.918 57.330 56.400 0.020 0.000 0.799 738 E CB -0.935 28.774 29.700 0.015 0.000 0.755 738 E HN 0.785 nan 8.360 nan 0.000 0.447 739 S N 0.245 115.952 115.700 0.013 0.000 3.913 739 S HA -0.348 4.122 4.470 -0.000 0.000 0.537 739 S C 0.796 175.403 174.600 0.011 0.000 0.917 739 S CA 2.764 60.970 58.200 0.010 0.000 3.386 739 S CB -1.603 nan 63.200 nan 0.000 2.355 739 S HN 1.011 nan 8.310 nan 0.000 0.344 740 N N -2.836 115.870 118.700 0.010 0.000 4.613 740 N HA 0.326 5.066 4.740 -0.000 0.000 0.282 740 N C -0.783 174.734 175.510 0.011 0.000 0.993 740 N CA -0.043 53.011 53.050 0.007 0.000 0.994 740 N CB -1.771 nan 38.487 nan 0.000 1.539 740 N HN 1.511 nan 8.380 nan 0.000 0.623 741 c N 2.241 120.846 118.600 0.009 0.000 2.408 741 c HA 0.669 5.239 4.570 -0.000 0.000 0.321 741 c C 2.081 176.171 174.090 -0.001 0.000 1.245 741 c CA -0.602 55.733 56.329 0.010 0.000 1.523 741 c CB 0.792 43.312 42.510 0.016 0.000 2.178 741 c HN 0.890 nan 8.230 nan 0.000 0.488 742 L N 1.266 122.488 121.223 -0.001 0.000 2.127 742 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 742 L C 1.215 178.070 176.870 -0.026 0.000 1.089 742 L CA 1.577 56.408 54.840 -0.014 0.000 0.757 742 L CB -0.213 41.841 42.059 -0.008 0.000 0.899 742 L HN 0.675 nan 8.230 nan 0.000 0.434 743 R N -0.885 119.604 120.500 -0.019 0.000 2.668 743 R HA 0.334 4.674 4.340 -0.000 0.000 0.272 743 R C -1.505 174.786 176.300 -0.015 0.000 1.019 743 R CA -0.699 55.385 56.100 -0.027 0.000 0.894 743 R CB 2.224 32.499 30.300 -0.041 0.000 1.228 743 R HN -0.236 nan 8.270 nan 0.000 0.460 744 D N 2.616 123.007 120.400 -0.015 0.000 2.602 744 D HA 0.434 5.074 4.640 -0.000 0.000 0.245 744 D C -1.115 175.186 176.300 0.001 0.000 1.325 744 D CA -0.329 53.672 54.000 0.001 0.000 0.952 744 D CB 1.127 41.931 40.800 0.007 0.000 1.317 744 D HN 0.393 nan 8.370 nan 0.000 0.577 745 I N 2.243 122.819 120.570 0.009 0.000 2.498 745 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 745 I C -0.444 175.726 176.117 0.088 0.000 1.032 745 I CA -0.869 60.439 61.300 0.013 0.000 1.073 745 I CB 2.087 40.039 38.000 -0.081 0.000 1.251 745 I HN 0.093 nan 8.210 nan 0.000 0.426 746 D N 4.833 125.302 120.400 0.115 0.000 2.225 746 D HA 0.211 4.851 4.640 -0.000 0.000 0.248 746 D C 0.760 177.166 176.300 0.177 0.000 1.096 746 D CA -0.182 53.911 54.000 0.155 0.000 0.863 746 D CB 1.157 42.012 40.800 0.092 0.000 1.156 746 D HN 0.269 nan 8.370 nan 0.000 0.450 747 F N 1.062 121.000 119.950 -0.021 0.000 2.154 747 F HA -0.237 4.290 4.527 -0.000 0.000 0.301 747 F C 2.577 178.156 175.800 -0.367 0.000 1.087 747 F CA 0.958 58.773 58.000 -0.309 0.000 1.274 747 F CB -0.450 38.369 39.000 -0.302 0.000 1.009 747 F HN 0.282 nan 8.300 nan 0.000 0.485 748 S N -0.171 115.526 115.700 -0.005 0.000 2.412 748 S HA -0.297 4.173 4.470 -0.000 0.000 0.246 748 S C 2.189 176.754 174.600 -0.058 0.000 1.073 748 S CA 2.060 60.235 58.200 -0.042 0.000 1.186 748 S CB -0.751 62.447 63.200 -0.003 0.000 1.084 748 S HN 0.404 nan 8.310 nan 0.000 0.434 749 S N 0.689 116.401 115.700 0.020 0.000 2.500 749 S HA -0.063 4.407 4.470 -0.000 0.000 0.239 749 S C 0.998 175.690 174.600 0.155 0.000 0.989 749 S CA 1.196 59.447 58.200 0.085 0.000 0.951 749 S CB -0.381 62.896 63.200 0.128 0.000 0.759 749 S HN 0.787 nan 8.310 nan 0.000 0.523 750 F N -0.832 119.072 119.950 -0.077 0.000 2.856 750 F HA 0.438 4.965 4.527 -0.000 0.000 0.333 750 F C 1.199 176.946 175.800 -0.088 0.000 1.200 750 F CA -0.342 57.601 58.000 -0.095 0.000 1.128 750 F CB -0.472 38.451 39.000 -0.129 0.000 1.172 750 F HN 0.036 nan 8.300 nan 0.000 0.511 751 S N -0.618 114.868 115.700 -0.357 0.000 2.402 751 S HA -0.216 4.253 4.470 -0.000 0.000 0.229 751 S C 1.792 176.295 174.600 -0.162 0.000 1.021 751 S CA 1.321 59.336 58.200 -0.309 0.000 0.974 751 S CB -0.345 62.728 63.200 -0.211 0.000 0.800 751 S HN 0.472 nan 8.310 nan 0.000 0.484 752 Q N 1.546 121.286 119.800 -0.100 0.000 2.364 752 Q HA 0.073 4.413 4.340 -0.000 0.000 0.207 752 Q C 1.653 177.610 176.000 -0.071 0.000 0.970 752 Q CA 0.967 56.731 55.803 -0.066 0.000 0.888 752 Q CB -0.644 28.070 28.738 -0.039 0.000 0.951 752 Q HN 0.841 nan 8.270 nan 0.000 0.469 753 L N -3.923 117.248 121.223 -0.087 0.000 2.640 753 L HA 0.357 4.697 4.340 -0.000 0.000 0.230 753 L C 0.935 177.601 176.870 -0.339 0.000 1.123 753 L CA 0.240 54.980 54.840 -0.167 0.000 0.900 753 L CB 0.230 42.208 42.059 -0.134 0.000 1.146 753 L HN -0.025 nan 8.230 nan 0.000 0.484 754 M N 0.030 119.523 119.600 -0.179 0.000 2.313 754 M HA 0.403 4.883 4.480 -0.000 0.000 0.273 754 M C 1.909 178.210 176.300 0.002 0.000 1.049 754 M CA 0.557 55.812 55.300 -0.074 0.000 1.004 754 M CB -0.112 32.470 32.600 -0.030 0.000 1.461 754 M HN 0.368 nan 8.290 nan 0.000 0.514 755 A N 1.539 124.340 122.820 -0.033 0.000 2.178 755 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 755 A C 1.413 178.997 177.584 -0.001 0.000 1.157 755 A CA 1.716 53.736 52.037 -0.027 0.000 0.689 755 A CB -0.749 18.228 19.000 -0.037 0.000 0.787 755 A HN 0.560 nan 8.150 nan 0.000 0.465 756 D N -1.458 118.975 120.400 0.054 0.000 2.340 756 D HA 0.016 4.655 4.640 -0.000 0.000 0.220 756 D C 0.573 176.875 176.300 0.004 0.000 1.039 756 D CA 0.283 54.312 54.000 0.048 0.000 0.866 756 D CB -0.425 40.436 40.800 0.101 0.000 0.913 756 D HN 0.413 nan 8.370 nan 0.000 0.523 757 K N -1.071 119.319 120.400 -0.017 0.000 3.274 757 K HA -0.151 4.169 4.320 -0.000 0.000 0.300 757 K C -0.355 176.137 176.600 -0.179 0.000 1.230 757 K CA 0.808 57.034 56.287 -0.101 0.000 0.884 757 K CB -1.765 30.659 32.500 -0.127 0.000 1.242 757 K HN 0.214 nan 8.250 nan 0.000 0.467 758 S N -0.775 114.836 115.700 -0.147 0.000 2.758 758 S HA 0.518 4.987 4.470 -0.000 0.000 0.292 758 S C -0.087 174.242 174.600 -0.451 0.000 1.131 758 S CA -0.935 57.096 58.200 -0.283 0.000 0.997 758 S CB 0.463 63.558 63.200 -0.176 0.000 1.111 758 S HN 0.277 nan 8.310 nan 0.000 0.552 759 W N 1.797 122.951 121.300 -0.243 0.000 2.181 759 W HA 0.280 4.940 4.660 -0.000 0.000 0.335 759 W C 0.638 176.864 176.519 -0.488 0.000 1.310 759 W CA 0.277 57.494 57.345 -0.213 0.000 1.226 759 W CB 0.293 29.688 29.460 -0.109 0.000 1.155 759 W HN 0.454 nan 8.180 nan 0.000 0.565 760 H N 0.888 120.156 119.070 0.330 0.000 2.856 760 H HA 0.196 4.752 4.556 -0.000 0.000 0.355 760 H C -0.752 174.694 175.328 0.197 0.000 1.079 760 H CA -0.830 55.341 56.048 0.205 0.000 1.240 760 H CB 1.491 31.339 29.762 0.143 0.000 1.701 760 H HN 0.131 nan 8.280 nan 0.000 0.527 761 T N 4.711 119.404 114.554 0.231 0.000 2.761 761 T HA 0.328 4.677 4.350 -0.000 0.000 0.296 761 T C 0.777 175.542 174.700 0.108 0.000 0.934 761 T CA -0.453 61.736 62.100 0.148 0.000 1.091 761 T CB 0.118 69.035 68.868 0.082 0.000 0.896 761 T HN 0.209 nan 8.240 nan 0.000 0.515 762 L N 2.724 123.995 121.223 0.080 0.000 2.322 762 L HA 0.725 5.065 4.340 -0.000 0.000 0.281 762 L C 0.232 177.099 176.870 -0.007 0.000 1.014 762 L CA -1.128 53.714 54.840 0.004 0.000 0.815 762 L CB 1.436 43.459 42.059 -0.058 0.000 1.247 762 L HN 0.636 nan 8.230 nan 0.000 0.421 763 A N 5.124 127.932 122.820 -0.020 0.000 2.303 763 A HA 0.781 5.101 4.320 -0.000 0.000 0.320 763 A C -0.528 177.122 177.584 0.110 0.000 1.192 763 A CA -0.382 51.673 52.037 0.030 0.000 0.821 763 A CB 0.477 19.421 19.000 -0.093 0.000 1.188 763 A HN 0.697 nan 8.150 nan 0.000 0.492 764 I N 4.923 125.590 120.570 0.162 0.000 2.405 764 I HA 0.272 4.442 4.170 -0.000 0.000 0.280 764 I C -2.257 173.908 176.117 0.081 0.000 1.027 764 I CA -2.214 59.131 61.300 0.075 0.000 1.161 764 I CB 1.920 39.904 38.000 -0.027 0.000 1.300 764 I HN 0.435 nan 8.210 nan 0.000 0.463 765 P HA 0.031 nan 4.420 nan 0.000 0.265 765 P C 0.477 177.637 177.300 -0.234 0.000 1.193 765 P CA 0.155 63.022 63.100 -0.389 0.000 0.765 765 P CB 1.208 32.754 31.700 -0.257 0.000 0.823 766 L N 0.922 121.990 121.223 -0.259 0.000 2.477 766 L HA 0.105 4.445 4.340 -0.000 0.000 0.220 766 L C 1.550 178.397 176.870 -0.038 0.000 1.106 766 L CA 0.326 55.104 54.840 -0.103 0.000 0.851 766 L CB -0.452 41.575 42.059 -0.053 0.000 0.994 766 L HN 0.543 nan 8.230 nan 0.000 0.462 767 H N 0.299 119.275 119.070 -0.156 0.000 2.594 767 H HA 0.289 4.845 4.556 -0.000 0.000 0.304 767 H C -1.406 173.872 175.328 -0.084 0.000 1.068 767 H CA -0.248 55.740 56.048 -0.100 0.000 1.308 767 H CB 1.659 31.366 29.762 -0.092 0.000 1.409 767 H HN 0.052 nan 8.280 nan 0.000 0.460 768 c N 4.650 122.989 118.600 -0.435 0.000 2.716 768 c HA 0.427 4.997 4.570 -0.000 0.000 0.366 768 c C 0.112 174.046 174.090 -0.261 0.000 1.073 768 c CA 0.075 56.251 56.329 -0.255 0.000 1.260 768 c CB 0.080 42.502 42.510 -0.146 0.000 1.755 768 c HN 1.036 nan 8.230 nan 0.000 0.475 777 P HA 0.064 nan 4.420 nan 0.000 0.257 777 P C -0.342 176.914 177.300 -0.073 0.000 1.227 777 P CA 0.471 63.526 63.100 -0.075 0.000 0.981 777 P CB -0.137 31.531 31.700 -0.052 0.000 1.044 778 I N 3.429 123.926 120.570 -0.122 0.000 2.598 778 I HA -0.013 4.157 4.170 -0.000 0.000 0.284 778 I C 1.661 177.782 176.117 0.008 0.000 1.140 778 I CA 0.693 61.957 61.300 -0.060 0.000 1.420 778 I CB -0.263 37.698 38.000 -0.066 0.000 1.387 778 I HN 0.249 nan 8.210 nan 0.000 0.553 779 T N 3.608 118.233 114.554 0.118 0.000 3.045 779 T HA 0.066 4.416 4.350 -0.000 0.000 0.239 779 T C 0.202 175.042 174.700 0.233 0.000 1.008 779 T CA 0.457 62.660 62.100 0.172 0.000 1.143 779 T CB 0.243 69.164 68.868 0.089 0.000 0.894 779 T HN 0.479 nan 8.240 nan 0.000 0.451 780 D N 1.069 121.564 120.400 0.157 0.000 2.441 780 D HA 0.587 5.227 4.640 -0.000 0.000 0.231 780 D C 0.633 176.981 176.300 0.080 0.000 1.073 780 D CA -0.278 53.773 54.000 0.085 0.000 0.850 780 D CB 1.537 42.369 40.800 0.055 0.000 1.062 780 D HN 0.166 nan 8.370 nan 0.000 0.524 781 A N 2.844 125.660 122.820 -0.007 0.000 1.978 781 A HA 0.071 4.390 4.320 -0.000 0.000 0.220 781 A C 0.707 178.287 177.584 -0.006 0.000 1.170 781 A CA 1.238 53.267 52.037 -0.014 0.000 0.636 781 A CB -0.464 18.407 19.000 -0.215 0.000 0.810 781 A HN 0.601 nan 8.150 nan 0.000 0.448 782 L N -5.539 115.675 121.223 -0.016 0.000 2.643 782 L HA 0.663 5.003 4.340 -0.000 0.000 0.256 782 L C -0.977 175.920 176.870 0.044 0.000 0.931 782 L CA -0.857 53.996 54.840 0.021 0.000 0.895 782 L CB 1.554 43.631 42.059 0.029 0.000 1.430 782 L HN -0.010 nan 8.230 nan 0.000 0.419 783 R N 2.419 122.960 120.500 0.068 0.000 2.637 783 R HA 0.859 5.199 4.340 -0.000 0.000 0.291 783 R C -1.293 175.082 176.300 0.125 0.000 0.963 783 R CA -0.776 55.379 56.100 0.092 0.000 0.901 783 R CB 2.342 32.689 30.300 0.079 0.000 1.160 783 R HN 0.718 nan 8.270 nan 0.000 0.457 784 I N 1.783 122.450 120.570 0.162 0.000 2.466 784 I HA 0.281 4.450 4.170 -0.000 0.000 0.289 784 I C 0.003 176.187 176.117 0.111 0.000 1.026 784 I CA -0.649 60.733 61.300 0.138 0.000 1.078 784 I CB 2.312 40.398 38.000 0.144 0.000 1.249 784 I HN 0.642 nan 8.210 nan 0.000 0.429 785 T N 1.608 116.133 114.554 -0.050 0.000 2.908 785 T HA 0.826 5.176 4.350 -0.000 0.000 0.290 785 T C -0.522 173.931 174.700 -0.411 0.000 1.034 785 T CA -0.730 61.316 62.100 -0.090 0.000 1.010 785 T CB 2.222 71.098 68.868 0.013 0.000 1.068 785 T HN 0.613 nan 8.240 nan 0.000 0.481 786 S N 0.431 115.861 115.700 -0.450 0.000 2.645 786 S HA 0.285 4.755 4.470 -0.000 0.000 0.268 786 S C -0.416 174.059 174.600 -0.208 0.000 1.110 786 S CA -0.560 57.326 58.200 -0.524 0.000 0.823 786 S CB 1.239 63.824 63.200 -1.025 0.000 1.091 786 S HN 0.857 nan 8.310 nan 0.000 0.466 787 Q N 0.651 120.369 119.800 -0.135 0.000 2.396 787 Q HA 0.371 4.711 4.340 -0.000 0.000 0.220 787 Q C -0.279 175.747 176.000 0.043 0.000 0.900 787 Q CA 0.059 55.863 55.803 0.003 0.000 0.925 787 Q CB 0.378 29.105 28.738 -0.018 0.000 1.065 787 Q HN 0.427 nan 8.270 nan 0.000 0.535 788 N N 0.501 119.176 118.700 -0.042 0.000 2.599 788 N HA 0.399 5.139 4.740 -0.000 0.000 0.283 788 N C -2.285 173.178 175.510 -0.079 0.000 1.160 788 N CA -0.281 52.768 53.050 -0.003 0.000 0.869 788 N CB 1.523 39.996 38.487 -0.023 0.000 1.448 788 N HN 0.056 nan 8.380 nan 0.000 0.535 789 L N 1.626 122.868 121.223 0.032 0.000 2.591 789 L HA 0.644 4.984 4.340 -0.000 0.000 0.257 789 L C -1.598 175.387 176.870 0.191 0.000 0.935 789 L CA -0.228 54.584 54.840 -0.046 0.000 0.873 789 L CB 2.142 43.936 42.059 -0.441 0.000 1.397 789 L HN 0.356 nan 8.230 nan 0.000 0.414 790 S N 4.134 119.887 115.700 0.089 0.000 2.707 790 S HA 0.890 5.360 4.470 -0.000 0.000 0.303 790 S C -1.148 173.512 174.600 0.100 0.000 1.132 790 S CA -0.464 57.813 58.200 0.130 0.000 1.046 790 S CB 0.450 63.672 63.200 0.035 0.000 1.004 790 S HN 0.816 nan 8.310 nan 0.000 0.483 791 L N 2.451 123.802 121.223 0.213 0.000 2.389 791 L HA 1.132 5.472 4.340 -0.000 0.000 0.249 791 L C -0.686 176.299 176.870 0.192 0.000 1.083 791 L CA -1.136 53.800 54.840 0.161 0.000 0.876 791 L CB 0.980 43.171 42.059 0.221 0.000 1.489 791 L HN 0.581 nan 8.230 nan 0.000 0.412 792 A N 0.429 123.320 122.820 0.117 0.000 2.435 792 A HA 0.944 5.264 4.320 -0.000 0.000 0.304 792 A C -1.060 176.752 177.584 0.380 0.000 1.064 792 A CA -0.454 51.698 52.037 0.192 0.000 0.727 792 A CB 1.214 20.258 19.000 0.073 0.000 1.284 792 A HN 0.718 nan 8.150 nan 0.000 0.415 793 I N 0.505 121.379 120.570 0.506 0.000 2.730 793 I HA 0.752 4.922 4.170 -0.000 0.000 0.298 793 I C 0.251 176.648 176.117 0.466 0.000 1.089 793 I CA -0.454 61.167 61.300 0.535 0.000 1.041 793 I CB 2.335 40.624 38.000 0.482 0.000 1.235 793 I HN 0.917 nan 8.210 nan 0.000 0.423 794 A N 2.514 125.582 122.820 0.413 0.000 2.568 794 A HA 0.639 4.959 4.320 -0.000 0.000 0.291 794 A C -1.209 176.560 177.584 0.309 0.000 1.159 794 A CA -0.489 51.767 52.037 0.366 0.000 0.679 794 A CB 1.008 20.085 19.000 0.128 0.000 1.285 794 A HN 0.721 nan 8.150 nan 0.000 0.428 795 D N -0.495 120.079 120.400 0.290 0.000 2.697 795 D HA -0.119 4.521 4.640 -0.000 0.000 0.235 795 D C -0.208 176.177 176.300 0.142 0.000 1.167 795 D CA 1.196 55.281 54.000 0.141 0.000 0.656 795 D CB -1.509 39.320 40.800 0.048 0.000 1.025 795 D HN 0.556 nan 8.370 nan 0.000 0.419 796 V N -0.147 119.887 119.914 0.199 0.000 2.488 796 V HA 0.675 4.795 4.120 -0.000 0.000 0.277 796 V C 0.816 176.929 176.094 0.032 0.000 1.046 796 V CA 0.225 62.595 62.300 0.115 0.000 0.986 796 V CB 1.413 33.305 31.823 0.115 0.000 0.989 796 V HN 0.490 nan 8.190 nan 0.000 0.475 797 A N 5.698 128.517 122.820 -0.001 0.000 2.577 797 A HA 0.681 5.001 4.320 -0.000 0.000 0.297 797 A C -1.436 176.103 177.584 -0.075 0.000 1.060 797 A CA -0.574 51.438 52.037 -0.043 0.000 0.697 797 A CB 1.353 20.336 19.000 -0.028 0.000 1.281 797 A HN 0.555 nan 8.150 nan 0.000 0.402 798 L N 1.873 122.995 121.223 -0.168 0.000 2.305 798 L HA 0.703 5.043 4.340 -0.000 0.000 0.281 798 L C 0.553 177.188 176.870 -0.391 0.000 1.085 798 L CA 0.464 55.034 54.840 -0.451 0.000 0.813 798 L CB 1.056 42.533 42.059 -0.970 0.000 1.157 798 L HN 0.939 nan 8.230 nan 0.000 0.436 799 T N 2.967 117.440 114.554 -0.134 0.000 2.896 799 T HA 0.499 4.849 4.350 -0.000 0.000 0.297 799 T C 1.176 176.141 174.700 0.442 0.000 1.108 799 T CA -0.622 61.605 62.100 0.213 0.000 1.004 799 T CB 1.280 70.228 68.868 0.132 0.000 1.159 799 T HN 0.455 nan 8.240 nan 0.000 0.499 800 I N 0.481 121.318 120.570 0.444 0.000 2.339 800 I HA 0.356 4.526 4.170 -0.000 0.000 0.245 800 I C 0.771 177.090 176.117 0.337 0.000 1.096 800 I CA 0.159 61.681 61.300 0.369 0.000 1.408 800 I CB -0.214 37.902 38.000 0.194 0.000 1.092 800 I HN 0.326 nan 8.210 nan 0.000 0.423 801 K N 2.646 123.152 120.400 0.176 0.000 2.182 801 K HA 0.559 4.878 4.320 -0.000 0.000 0.262 801 K C -3.018 173.504 176.600 -0.131 0.000 0.957 801 K CA -2.222 54.085 56.287 0.035 0.000 0.842 801 K CB 1.188 33.703 32.500 0.025 0.000 1.099 801 K HN -0.072 nan 8.250 nan 0.000 0.438 802 P HA 0.105 nan 4.420 nan 0.000 0.275 802 P C -0.440 176.746 177.300 -0.189 0.000 1.227 802 P CA -0.186 62.658 63.100 -0.427 0.000 0.781 802 P CB 0.641 31.953 31.700 -0.647 0.000 0.906 803 S N 1.547 117.175 115.700 -0.120 0.000 2.572 803 S HA -0.053 4.417 4.470 -0.000 0.000 0.262 803 S C 0.855 175.420 174.600 -0.057 0.000 1.375 803 S CA 0.032 58.194 58.200 -0.062 0.000 0.996 803 S CB -0.109 63.069 63.200 -0.036 0.000 0.892 803 S HN 0.464 nan 8.310 nan 0.000 0.562 804 D N 0.536 120.917 120.400 -0.033 0.000 2.219 804 D HA -0.037 4.603 4.640 -0.000 0.000 0.205 804 D C 0.671 176.961 176.300 -0.017 0.000 0.970 804 D CA 1.054 55.039 54.000 -0.024 0.000 0.851 804 D CB -0.100 40.692 40.800 -0.014 0.000 0.943 804 D HN 0.418 nan 8.370 nan 0.000 0.488 805 D N -0.706 119.688 120.400 -0.010 0.000 2.423 805 D HA 0.032 4.672 4.640 -0.000 0.000 0.208 805 D C 0.311 176.622 176.300 0.017 0.000 1.068 805 D CA 0.112 54.118 54.000 0.010 0.000 0.860 805 D CB 0.011 40.825 40.800 0.022 0.000 0.992 805 D HN 0.073 nan 8.370 nan 0.000 0.504 806 S N 0.579 116.274 115.700 -0.008 0.000 2.558 806 S HA 0.020 4.490 4.470 -0.000 0.000 0.287 806 S C 0.267 174.858 174.600 -0.014 0.000 1.321 806 S CA -0.142 58.050 58.200 -0.013 0.000 1.048 806 S CB 0.343 63.504 63.200 -0.065 0.000 0.844 806 S HN 0.098 nan 8.310 nan 0.000 0.512 807 I N 2.700 123.267 120.570 -0.005 0.000 2.328 807 I HA 0.184 4.354 4.170 -0.000 0.000 0.287 807 I C 0.042 176.132 176.117 -0.044 0.000 1.012 807 I CA -0.358 60.931 61.300 -0.019 0.000 1.195 807 I CB 1.551 39.544 38.000 -0.012 0.000 1.350 807 I HN 0.594 nan 8.210 nan 0.000 0.464 808 S N 7.451 123.131 115.700 -0.033 0.000 2.429 808 S HA 0.274 4.744 4.470 -0.000 0.000 0.292 808 S C 0.327 174.903 174.600 -0.041 0.000 1.183 808 S CA -0.490 57.706 58.200 -0.007 0.000 1.088 808 S CB -0.039 63.186 63.200 0.041 0.000 1.018 808 S HN 0.398 nan 8.310 nan 0.000 0.511 809 L N 3.975 125.139 121.223 -0.098 0.000 2.415 809 L HA 0.120 4.460 4.340 -0.000 0.000 0.269 809 L C 1.275 178.098 176.870 -0.078 0.000 1.244 809 L CA -0.279 54.464 54.840 -0.162 0.000 1.113 809 L CB -0.772 41.079 42.059 -0.346 0.000 1.352 809 L HN 0.544 nan 8.230 nan 0.000 0.433 810 T N 1.216 115.749 114.554 -0.035 0.000 2.732 810 T HA 0.483 4.833 4.350 -0.000 0.000 0.287 810 T C 0.208 174.895 174.700 -0.023 0.000 0.993 810 T CA -0.387 61.710 62.100 -0.005 0.000 0.966 810 T CB 0.892 69.770 68.868 0.016 0.000 1.047 810 T HN 0.766 nan 8.240 nan 0.000 0.527 811 c N -0.114 118.475 118.600 -0.018 0.000 3.335 811 c HA 0.959 5.529 4.570 -0.000 0.000 0.356 811 c C 0.305 174.383 174.090 -0.020 0.000 1.570 811 c CA -0.850 55.464 56.329 -0.026 0.000 1.271 811 c CB 0.687 43.171 42.510 -0.043 0.000 1.873 811 c HN 1.064 nan 8.230 nan 0.000 0.439 812 A N 0.000 122.805 122.820 -0.025 0.000 2.254 812 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 812 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 812 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 812 A HN 0.000 nan 8.150 nan 0.000 0.486