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 3kp0_1_D DATA FIRST_RESID 5 DATA SEQUENCE LQLRVNEKLD VENILKDLDK YTPKRRGWTW RQPAENLQMG PFIYKDASTP DATA SEQUENCE LENSVALPSA KYFGDIDPQP LPVITTEIAS GRFEDDIRRM RMAAWHGADH DATA SEQUENCE IMVIRTAGQS HYDGLIEGTP QGIGGVPITR KQVRAQRKAL DLIEEEVGRP DATA SEQUENCE INYHSYVSGV AGPDIAVMFA EEGVNGAHQD PQYNVLYRNI NMIRSFIDAC DATA SEQUENCE ESKTIMAWAD MAQIDXXXGA HNANATAREA WKVMPELMVQ HALNSIFSLK DATA SEQUENCE VGMKKSNICL STVPPTAPPA PSMYLDLPYA VALREMFEGY RMRAQMNTKY DATA SEQUENCE MEASTREATV THVLNLLISK LTRADIQSTI TPDEGRNVPW HIYNIEACDT DATA SEQUENCE AKQALIGMDG LMDMVQLKRE GVLGDTVREL KERAVLFMEE IIEAGGYFNA DATA SEQUENCE VEQGFFVDSG YYPERNGDGI ARQINGGIGA GTVFERDEDY MAPVTAHFGY DATA SEQUENCE NNVKQYDEAL VSEPSKLIDG CTLEVPEKIV YIDELDENDN VNVRMEETKE DATA SEQUENCE FRXXSMIKPE VEWQADGTVL LTMFLPTSKR VAEFAAIEFA KKMNLEEVEV DATA SEQUENCE INREVMQEAE GTRIELKGRV PFSIDINSLV IPP 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 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.880 176.870 0.017 0.000 1.165 5 L CA 0.000 54.849 54.840 0.014 0.000 0.813 5 L CB 0.000 42.069 42.059 0.016 0.000 0.961 6 Q N 0.435 120.246 119.800 0.018 0.000 0.707 6 Q HA -0.034 4.309 4.340 0.006 0.000 0.242 6 Q C -1.079 174.938 176.000 0.029 0.000 1.088 6 Q CA -0.098 55.717 55.803 0.021 0.000 0.606 6 Q CB -0.159 28.590 28.738 0.018 0.000 4.740 6 Q HN 0.239 nan 8.270 nan 0.000 0.308 7 L N 1.136 122.380 121.223 0.034 0.000 3.052 7 L HA -0.254 4.089 4.340 0.006 0.000 0.540 7 L C -0.723 176.184 176.870 0.062 0.000 1.001 7 L CA 1.210 56.081 54.840 0.052 0.000 1.287 7 L CB -0.489 41.611 42.059 0.069 0.000 1.312 7 L HN 0.578 nan 8.230 nan 0.000 0.637 8 R N 2.318 122.853 120.500 0.058 0.000 2.534 8 R HA 0.397 4.740 4.340 0.006 0.000 0.301 8 R C 1.109 177.449 176.300 0.067 0.000 0.961 8 R CA -0.362 55.773 56.100 0.058 0.000 0.871 8 R CB 1.818 32.138 30.300 0.034 0.000 1.170 8 R HN 0.468 nan 8.270 nan 0.000 0.446 9 V N -0.247 119.726 119.914 0.099 0.000 2.546 9 V HA -0.265 3.858 4.120 0.006 0.000 0.254 9 V C 1.223 177.299 176.094 -0.030 0.000 1.076 9 V CA 2.096 64.459 62.300 0.105 0.000 1.087 9 V CB -0.609 31.319 31.823 0.175 0.000 0.674 9 V HN 0.931 nan 8.190 nan 0.000 0.470 10 N N -0.457 118.231 118.700 -0.019 0.000 2.205 10 N HA 0.095 4.839 4.740 0.006 0.000 0.201 10 N C 0.235 175.721 175.510 -0.040 0.000 1.128 10 N CA -0.034 52.987 53.050 -0.048 0.000 0.867 10 N CB 0.060 38.529 38.487 -0.030 0.000 0.996 10 N HN 0.718 nan 8.380 nan 0.000 0.503 11 E N 0.973 121.159 120.200 -0.024 0.000 2.175 11 E HA 0.248 4.601 4.350 0.006 0.000 0.278 11 E C -0.526 176.059 176.600 -0.025 0.000 0.969 11 E CA -0.631 55.758 56.400 -0.018 0.000 0.796 11 E CB 1.794 31.492 29.700 -0.003 0.000 1.104 11 E HN 0.106 nan 8.360 nan 0.000 0.395 12 K N 1.898 122.281 120.400 -0.028 0.000 2.276 12 K HA 0.134 4.458 4.320 0.006 0.000 0.259 12 K C 0.086 176.676 176.600 -0.017 0.000 1.001 12 K CA -0.237 56.031 56.287 -0.031 0.000 0.927 12 K CB 0.549 33.033 32.500 -0.026 0.000 0.969 12 K HN 0.385 nan 8.250 nan 0.000 0.490 13 L N 2.278 123.490 121.223 -0.018 0.000 2.513 13 L HA -0.064 4.279 4.340 0.006 0.000 0.272 13 L C 0.321 177.184 176.870 -0.013 0.000 1.187 13 L CA 0.069 54.903 54.840 -0.010 0.000 0.895 13 L CB 0.153 42.205 42.059 -0.012 0.000 1.147 13 L HN 0.539 nan 8.230 nan 0.000 0.483 14 D N 3.026 123.421 120.400 -0.009 0.000 2.411 14 D HA 0.079 4.722 4.640 0.006 0.000 0.225 14 D C 0.782 177.073 176.300 -0.015 0.000 1.156 14 D CA -0.180 53.814 54.000 -0.010 0.000 0.874 14 D CB 1.492 42.289 40.800 -0.005 0.000 1.034 14 D HN 0.309 nan 8.370 nan 0.000 0.502 15 V N 2.530 122.430 119.914 -0.024 0.000 2.719 15 V HA -0.049 4.074 4.120 0.006 0.000 0.252 15 V C 1.779 177.860 176.094 -0.021 0.000 1.065 15 V CA 1.370 63.652 62.300 -0.030 0.000 1.086 15 V CB -0.328 31.459 31.823 -0.060 0.000 0.700 15 V HN 0.473 nan 8.190 nan 0.000 0.467 16 E N 0.836 121.024 120.200 -0.020 0.000 2.070 16 E HA -0.302 4.052 4.350 0.006 0.000 0.197 16 E C 2.103 178.703 176.600 -0.000 0.000 1.004 16 E CA 2.109 58.504 56.400 -0.009 0.000 0.805 16 E CB -0.164 29.532 29.700 -0.007 0.000 0.744 16 E HN 0.719 nan 8.360 nan 0.000 0.451 17 N N -0.018 118.681 118.700 -0.002 0.000 2.171 17 N HA -0.075 4.668 4.740 0.006 0.000 0.184 17 N C 1.674 177.182 175.510 -0.002 0.000 1.021 17 N CA 0.896 53.946 53.050 0.001 0.000 0.854 17 N CB -0.045 38.442 38.487 0.000 0.000 0.994 17 N HN 0.163 nan 8.380 nan 0.000 0.426 18 I N 0.352 120.917 120.570 -0.009 0.000 2.163 18 I HA -0.279 3.894 4.170 0.006 0.000 0.243 18 I C 1.641 177.752 176.117 -0.011 0.000 1.085 18 I CA 0.964 62.250 61.300 -0.023 0.000 1.347 18 I CB -0.343 37.640 38.000 -0.029 0.000 1.044 18 I HN 0.149 nan 8.210 nan 0.000 0.408 19 L N 0.496 121.732 121.223 0.022 0.000 2.549 19 L HA -0.123 4.220 4.340 0.006 0.000 0.230 19 L C 0.953 177.852 176.870 0.049 0.000 1.162 19 L CA 0.863 55.739 54.840 0.060 0.000 0.834 19 L CB -0.605 41.500 42.059 0.077 0.000 0.947 19 L HN 0.172 nan 8.230 nan 0.000 0.452 20 K N 0.317 120.733 120.400 0.026 0.000 2.118 20 K HA 0.096 4.419 4.320 0.006 0.000 0.264 20 K C 0.010 176.619 176.600 0.014 0.000 1.000 20 K CA -0.652 55.650 56.287 0.025 0.000 0.929 20 K CB 0.668 33.178 32.500 0.018 0.000 1.021 20 K HN -0.044 nan 8.250 nan 0.000 0.463 21 D N 1.412 121.820 120.400 0.014 0.000 2.811 21 D HA -0.215 4.428 4.640 0.006 0.000 0.231 21 D C 0.703 176.983 176.300 -0.033 0.000 1.157 21 D CA 0.616 54.613 54.000 -0.005 0.000 0.716 21 D CB -1.071 39.732 40.800 0.005 0.000 1.077 21 D HN 0.525 nan 8.370 nan 0.000 0.428 22 L N 0.509 121.702 121.223 -0.049 0.000 2.362 22 L HA -0.154 4.190 4.340 0.006 0.000 0.219 22 L C 2.264 178.882 176.870 -0.420 0.000 1.134 22 L CA 1.431 56.201 54.840 -0.117 0.000 0.807 22 L CB -0.141 41.917 42.059 -0.001 0.000 0.927 22 L HN 0.146 nan 8.230 nan 0.000 0.447 23 D N -0.970 119.145 120.400 -0.475 0.000 2.347 23 D HA -0.149 4.494 4.640 0.006 0.000 0.215 23 D C 1.442 177.560 176.300 -0.303 0.000 0.976 23 D CA 0.586 54.181 54.000 -0.675 0.000 0.884 23 D CB 0.061 40.684 40.800 -0.295 0.000 0.915 23 D HN 0.167 nan 8.370 nan 0.000 0.526 24 K N -0.220 120.086 120.400 -0.156 0.000 2.355 24 K HA 0.043 4.367 4.320 0.006 0.000 0.198 24 K C -0.167 176.417 176.600 -0.026 0.000 1.039 24 K CA -0.509 55.736 56.287 -0.070 0.000 1.075 24 K CB -0.232 32.248 32.500 -0.034 0.000 0.870 24 K HN 0.257 nan 8.250 nan 0.000 0.540 25 Y N 2.334 122.557 120.300 -0.129 0.000 2.436 25 Y HA 0.066 4.620 4.550 0.007 0.000 0.336 25 Y C -0.213 175.653 175.900 -0.057 0.000 1.049 25 Y CA 0.177 58.228 58.100 -0.082 0.000 1.294 25 Y CB 0.457 38.871 38.460 -0.076 0.000 1.179 25 Y HN -0.120 nan 8.280 nan 0.000 0.520 26 T N 8.476 122.584 114.554 -0.743 0.000 2.918 26 T HA 0.414 4.767 4.350 0.006 0.000 0.286 26 T C -2.734 171.306 174.700 -1.099 0.000 1.026 26 T CA -1.845 59.872 62.100 -0.638 0.000 1.031 26 T CB 1.451 70.135 68.868 -0.308 0.000 1.046 26 T HN 0.445 nan 8.240 nan 0.000 0.479 27 P HA 0.146 nan 4.420 nan 0.000 0.271 27 P C 0.728 177.900 177.300 -0.214 0.000 1.218 27 P CA -0.440 62.461 63.100 -0.333 0.000 0.780 27 P CB 1.076 32.747 31.700 -0.048 0.000 0.901 28 K N 2.381 122.729 120.400 -0.087 0.000 2.063 28 K HA -0.147 4.177 4.320 0.006 0.000 0.208 28 K C 0.761 177.333 176.600 -0.048 0.000 1.048 28 K CA 1.439 57.696 56.287 -0.050 0.000 0.928 28 K CB 0.198 32.697 32.500 -0.002 0.000 0.713 28 K HN 0.591 nan 8.250 nan 0.000 0.442 29 R N -1.051 119.429 120.500 -0.034 0.000 2.733 29 R HA 0.408 4.752 4.340 0.006 0.000 0.272 29 R C -1.065 175.223 176.300 -0.021 0.000 1.029 29 R CA -1.156 54.924 56.100 -0.035 0.000 0.888 29 R CB 0.814 31.089 30.300 -0.042 0.000 1.251 29 R HN -0.184 nan 8.270 nan 0.000 0.464 30 R N 0.260 120.741 120.500 -0.031 0.000 2.873 30 R HA 0.796 5.140 4.340 0.006 0.000 0.264 30 R C 0.041 176.321 176.300 -0.034 0.000 1.026 30 R CA -0.358 55.730 56.100 -0.020 0.000 1.002 30 R CB 1.351 31.623 30.300 -0.046 0.000 1.174 30 R HN 1.023 nan 8.270 nan 0.000 0.488 31 G N 0.210 109.006 108.800 -0.006 0.000 2.707 31 G HA2 -0.207 3.757 3.960 0.006 0.000 0.686 31 G HA3 -0.207 3.757 3.960 0.006 0.000 0.686 31 G C -1.232 173.684 174.900 0.027 0.000 1.315 31 G CA -0.483 44.622 45.100 0.009 0.000 0.832 31 G HN 0.555 nan 8.290 nan 0.000 0.573 32 W N 1.814 123.007 121.300 -0.179 0.000 2.316 32 W HA 0.596 5.259 4.660 0.006 0.000 0.321 32 W C 0.559 176.867 176.519 -0.351 0.000 1.203 32 W CA 0.401 57.561 57.345 -0.309 0.000 1.214 32 W CB 1.488 30.683 29.460 -0.442 0.000 1.169 32 W HN 1.122 nan 8.180 nan 0.000 0.561 33 T N 2.360 116.399 114.554 -0.857 0.000 2.792 33 T HA 0.379 4.732 4.350 0.006 0.000 0.280 33 T C -0.538 173.705 174.700 -0.760 0.000 0.990 33 T CA -0.559 61.186 62.100 -0.593 0.000 0.960 33 T CB 0.899 69.538 68.868 -0.380 0.000 0.939 33 T HN 0.450 nan 8.240 nan 0.000 0.439 34 W N 1.549 122.824 121.300 -0.042 0.000 2.030 34 W HA 0.529 5.193 4.660 0.006 0.000 0.371 34 W C 1.123 177.620 176.519 -0.037 0.000 1.456 34 W CA -1.350 56.021 57.345 0.043 0.000 1.570 34 W CB 0.656 30.192 29.460 0.127 0.000 1.249 34 W HN 0.426 nan 8.180 nan 0.000 0.677 35 R N 1.256 121.940 120.500 0.307 0.000 2.349 35 R HA 0.164 4.508 4.340 0.006 0.000 0.299 35 R C -0.376 175.990 176.300 0.110 0.000 1.027 35 R CA -0.779 55.401 56.100 0.134 0.000 0.958 35 R CB 0.786 31.148 30.300 0.103 0.000 1.047 35 R HN 0.213 nan 8.270 nan 0.000 0.468 36 Q N 3.439 123.274 119.800 0.057 0.000 2.314 36 Q HA 0.230 4.574 4.340 0.006 0.000 0.257 36 Q C -2.224 173.789 176.000 0.023 0.000 0.975 36 Q CA -2.304 53.522 55.803 0.039 0.000 0.933 36 Q CB 0.815 29.566 28.738 0.021 0.000 1.195 36 Q HN 0.278 nan 8.270 nan 0.000 0.426 37 P HA -0.052 nan 4.420 nan 0.000 0.264 37 P C -0.847 176.460 177.300 0.011 0.000 1.179 37 P CA 0.372 63.480 63.100 0.012 0.000 0.763 37 P CB 0.544 32.248 31.700 0.007 0.000 0.806 38 A N 2.799 125.626 122.820 0.012 0.000 2.923 38 A HA 0.238 4.561 4.320 0.006 0.000 0.343 38 A C 0.251 177.853 177.584 0.031 0.000 1.199 38 A CA -0.464 51.583 52.037 0.016 0.000 0.878 38 A CB -0.556 18.449 19.000 0.009 0.000 1.104 38 A HN 0.487 nan 8.150 nan 0.000 0.483 39 E N 2.039 122.255 120.200 0.026 0.000 2.413 39 E HA 0.048 4.402 4.350 0.006 0.000 0.263 39 E C 0.044 176.669 176.600 0.042 0.000 1.015 39 E CA 0.018 56.436 56.400 0.031 0.000 0.916 39 E CB 0.186 29.898 29.700 0.019 0.000 0.947 39 E HN 0.610 nan 8.360 nan 0.000 0.440 40 N N 2.215 120.945 118.700 0.050 0.000 2.700 40 N HA -0.249 4.494 4.740 0.006 0.000 0.265 40 N C -0.688 174.867 175.510 0.075 0.000 0.975 40 N CA 0.446 53.530 53.050 0.057 0.000 0.800 40 N CB -0.888 37.619 38.487 0.034 0.000 0.908 40 N HN 0.286 nan 8.380 nan 0.000 0.551 41 L N 0.409 121.700 121.223 0.114 0.000 2.436 41 L HA 0.211 4.555 4.340 0.006 0.000 0.265 41 L C 0.678 177.659 176.870 0.185 0.000 1.168 41 L CA 0.113 55.030 54.840 0.128 0.000 0.815 41 L CB 0.881 43.010 42.059 0.117 0.000 1.109 41 L HN 0.335 nan 8.230 nan 0.000 0.462 42 Q N 4.131 124.019 119.800 0.148 0.000 2.322 42 Q HA 0.625 4.969 4.340 0.006 0.000 0.265 42 Q C -1.662 174.450 176.000 0.188 0.000 0.985 42 Q CA -0.372 55.525 55.803 0.156 0.000 0.849 42 Q CB 1.242 30.025 28.738 0.075 0.000 1.274 42 Q HN 0.703 nan 8.270 nan 0.000 0.449 43 M N 3.502 123.279 119.600 0.295 0.000 2.267 43 M HA 0.429 4.913 4.480 0.006 0.000 0.289 43 M C 0.435 176.897 176.300 0.271 0.000 1.043 43 M CA -0.373 55.096 55.300 0.281 0.000 0.928 43 M CB 1.819 34.620 32.600 0.335 0.000 1.613 43 M HN 0.990 nan 8.290 nan 0.000 0.450 44 G N 4.352 113.246 108.800 0.157 0.000 2.627 44 G HA2 -0.262 3.702 3.960 0.006 0.000 0.312 44 G HA3 -0.262 3.702 3.960 0.006 0.000 0.312 44 G C -1.984 172.867 174.900 -0.083 0.000 1.299 44 G CA 0.150 45.298 45.100 0.079 0.000 0.989 44 G HN 0.542 nan 8.290 nan 0.000 0.547 45 P HA 0.192 nan 4.420 nan 0.000 0.226 45 P C 0.406 177.325 177.300 -0.635 0.000 1.153 45 P CA 0.938 63.653 63.100 -0.641 0.000 0.777 45 P CB 0.010 31.022 31.700 -1.147 0.000 0.794 46 F N -0.831 119.082 119.950 -0.062 0.000 2.432 46 F HA 0.413 4.943 4.527 0.006 0.000 0.329 46 F C 0.799 176.449 175.800 -0.251 0.000 1.076 46 F CA -1.362 56.497 58.000 -0.235 0.000 1.018 46 F CB 0.628 39.342 39.000 -0.477 0.000 1.201 46 F HN -0.380 nan 8.300 nan 0.000 0.489 47 I N 2.318 122.835 120.570 -0.089 0.000 2.354 47 I HA 0.258 4.432 4.170 0.006 0.000 0.292 47 I C -1.057 174.914 176.117 -0.244 0.000 0.989 47 I CA -0.698 60.554 61.300 -0.080 0.000 1.188 47 I CB 0.919 38.906 38.000 -0.021 0.000 1.342 47 I HN 0.445 nan 8.210 nan 0.000 0.457 48 Y N 5.977 126.308 120.300 0.052 0.000 2.323 48 Y HA 0.305 4.859 4.550 0.006 0.000 0.331 48 Y C 1.150 177.056 175.900 0.010 0.000 1.092 48 Y CA -0.544 57.568 58.100 0.020 0.000 1.150 48 Y CB 1.096 39.563 38.460 0.012 0.000 1.200 48 Y HN 0.405 nan 8.280 nan 0.000 0.472 49 K N 0.798 121.270 120.400 0.120 0.000 2.334 49 K HA 0.070 4.394 4.320 0.006 0.000 0.195 49 K C -0.406 176.234 176.600 0.067 0.000 1.045 49 K CA 0.632 56.960 56.287 0.069 0.000 1.004 49 K CB 0.437 32.956 32.500 0.031 0.000 0.837 49 K HN 0.695 nan 8.250 nan 0.000 0.510 50 D N 0.626 121.078 120.400 0.087 0.000 2.804 50 D HA 0.192 4.836 4.640 0.006 0.000 0.308 50 D C -0.329 175.998 176.300 0.044 0.000 1.371 50 D CA -0.041 53.991 54.000 0.053 0.000 0.823 50 D CB 0.656 41.479 40.800 0.039 0.000 1.126 50 D HN 0.006 nan 8.370 nan 0.000 0.467 51 A N 0.500 123.350 122.820 0.051 0.000 2.264 51 A HA 0.700 5.023 4.320 0.006 0.000 0.304 51 A C 0.686 178.266 177.584 -0.007 0.000 1.100 51 A CA -0.348 51.683 52.037 -0.010 0.000 0.839 51 A CB 0.947 19.911 19.000 -0.060 0.000 1.121 51 A HN 0.150 nan 8.150 nan 0.000 0.496 52 S N -0.506 115.177 115.700 -0.027 0.000 2.759 52 S HA 0.640 5.113 4.470 0.006 0.000 0.310 52 S C -0.006 174.576 174.600 -0.030 0.000 1.123 52 S CA -0.297 57.895 58.200 -0.014 0.000 0.959 52 S CB 0.685 63.882 63.200 -0.005 0.000 1.172 52 S HN 0.765 nan 8.310 nan 0.000 0.539 53 T N 3.803 118.343 114.554 -0.023 0.000 2.908 53 T HA 0.273 4.626 4.350 0.006 0.000 0.301 53 T C -2.308 172.361 174.700 -0.051 0.000 1.019 53 T CA -0.027 62.054 62.100 -0.032 0.000 1.152 53 T CB -0.188 68.663 68.868 -0.028 0.000 0.966 53 T HN 0.489 nan 8.240 nan 0.000 0.540 54 P HA 0.204 nan 4.420 nan 0.000 0.271 54 P C -0.159 177.093 177.300 -0.080 0.000 1.233 54 P CA -0.447 62.611 63.100 -0.070 0.000 0.789 54 P CB 0.486 32.153 31.700 -0.055 0.000 0.951 55 L N 1.462 122.625 121.223 -0.100 0.000 2.375 55 L HA 0.177 4.520 4.340 0.006 0.000 0.271 55 L C 1.707 178.492 176.870 -0.142 0.000 1.107 55 L CA -0.054 54.703 54.840 -0.139 0.000 0.806 55 L CB 0.469 42.420 42.059 -0.180 0.000 1.146 55 L HN 0.480 nan 8.230 nan 0.000 0.447 56 E N 0.845 120.945 120.200 -0.166 0.000 2.152 56 E HA -0.024 4.330 4.350 0.006 0.000 0.192 56 E C -0.255 176.231 176.600 -0.190 0.000 0.983 56 E CA 0.798 57.110 56.400 -0.146 0.000 0.818 56 E CB 0.329 29.953 29.700 -0.127 0.000 0.758 56 E HN 0.466 nan 8.360 nan 0.000 0.467 57 N N -0.295 118.197 118.700 -0.347 0.000 2.336 57 N HA 0.201 4.945 4.740 0.006 0.000 0.290 57 N C -1.368 173.687 175.510 -0.758 0.000 1.058 57 N CA -0.169 52.571 53.050 -0.518 0.000 0.865 57 N CB 2.140 40.170 38.487 -0.763 0.000 1.581 57 N HN -0.001 nan 8.380 nan 0.000 0.480 58 S N -0.747 114.764 115.700 -0.316 0.000 2.672 58 S HA 0.570 5.043 4.470 0.006 0.000 0.271 58 S C -1.412 173.350 174.600 0.270 0.000 1.171 58 S CA -0.686 57.477 58.200 -0.061 0.000 0.817 58 S CB 1.366 64.497 63.200 -0.115 0.000 1.150 58 S HN 0.072 nan 8.310 nan 0.000 0.478 59 V N 1.651 121.638 119.914 0.123 0.000 2.357 59 V HA 0.755 4.878 4.120 0.006 0.000 0.284 59 V C 0.798 176.807 176.094 -0.142 0.000 1.018 59 V CA -0.171 62.092 62.300 -0.063 0.000 0.841 59 V CB 0.561 32.147 31.823 -0.396 0.000 0.991 59 V HN 1.212 nan 8.190 nan 0.000 0.437 60 A N 5.468 128.260 122.820 -0.046 0.000 2.346 60 A HA 0.657 4.980 4.320 0.006 0.000 0.252 60 A C 0.044 177.626 177.584 -0.004 0.000 1.089 60 A CA -0.416 51.612 52.037 -0.015 0.000 0.797 60 A CB 0.212 19.224 19.000 0.021 0.000 1.047 60 A HN 0.808 nan 8.150 nan 0.000 0.494 61 L N 1.135 122.381 121.223 0.038 0.000 2.461 61 L HA 0.107 4.450 4.340 0.006 0.000 0.272 61 L C -1.244 175.664 176.870 0.064 0.000 1.197 61 L CA -1.180 53.702 54.840 0.070 0.000 0.836 61 L CB 0.300 42.416 42.059 0.095 0.000 1.105 61 L HN 0.572 nan 8.230 nan 0.000 0.477 62 P HA -0.193 nan 4.420 nan 0.000 0.217 62 P C 1.313 178.613 177.300 0.001 0.000 1.162 62 P CA 1.336 64.452 63.100 0.028 0.000 0.901 62 P CB 0.147 31.877 31.700 0.050 0.000 0.793 63 S N -0.907 114.850 115.700 0.096 0.000 2.584 63 S HA -0.059 4.414 4.470 0.006 0.000 0.240 63 S C 1.873 176.607 174.600 0.224 0.000 0.975 63 S CA 0.857 59.173 58.200 0.194 0.000 0.949 63 S CB -0.904 62.516 63.200 0.367 0.000 0.761 63 S HN 0.192 nan 8.310 nan 0.000 0.536 64 A N 2.921 125.834 122.820 0.156 0.000 1.933 64 A HA -0.198 4.126 4.320 0.006 0.000 0.218 64 A C 2.052 179.677 177.584 0.069 0.000 1.175 64 A CA 1.659 53.821 52.037 0.209 0.000 0.628 64 A CB -0.581 18.501 19.000 0.137 0.000 0.814 64 A HN 0.700 nan 8.150 nan 0.000 0.444 65 K N -1.476 118.844 120.400 -0.134 0.000 2.293 65 K HA -0.238 4.085 4.320 0.006 0.000 0.204 65 K C 1.473 177.907 176.600 -0.277 0.000 1.045 65 K CA 1.943 58.092 56.287 -0.230 0.000 0.933 65 K CB -0.635 31.661 32.500 -0.339 0.000 0.736 65 K HN 0.497 nan 8.250 nan 0.000 0.463 66 Y N 0.214 120.394 120.300 -0.201 0.000 2.337 66 Y HA 0.041 4.595 4.550 0.006 0.000 0.293 66 Y C 0.921 176.475 175.900 -0.578 0.000 1.123 66 Y CA 0.417 58.221 58.100 -0.494 0.000 1.201 66 Y CB -0.077 37.885 38.460 -0.831 0.000 1.011 66 Y HN -0.013 nan 8.280 nan 0.000 0.545 67 F N -0.725 119.369 119.950 0.239 0.000 2.923 67 F HA 0.537 5.067 4.527 0.006 0.000 0.314 67 F C 1.269 177.158 175.800 0.149 0.000 1.196 67 F CA -0.327 57.808 58.000 0.226 0.000 1.320 67 F CB 0.398 39.606 39.000 0.347 0.000 0.953 67 F HN 0.040 nan 8.300 nan 0.000 0.505 68 G N 0.076 108.978 108.800 0.169 0.000 2.149 68 G HA2 -0.274 3.690 3.960 0.006 0.000 0.235 68 G HA3 -0.274 3.690 3.960 0.006 0.000 0.235 68 G C 0.023 174.986 174.900 0.104 0.000 1.018 68 G CA -0.116 45.054 45.100 0.115 0.000 0.728 68 G HN 0.447 nan 8.290 nan 0.000 0.508 69 D N -0.594 119.866 120.400 0.100 0.000 2.697 69 D HA -0.210 4.434 4.640 0.006 0.000 0.235 69 D C 1.004 177.360 176.300 0.092 0.000 1.167 69 D CA 1.674 55.721 54.000 0.079 0.000 0.656 69 D CB -1.097 39.726 40.800 0.038 0.000 1.025 69 D HN 1.249 nan 8.370 nan 0.000 0.419 70 I N -2.450 118.205 120.570 0.141 0.000 2.499 70 I HA 0.453 4.626 4.170 0.006 0.000 0.296 70 I C 0.330 176.489 176.117 0.069 0.000 0.992 70 I CA -0.343 61.027 61.300 0.116 0.000 1.297 70 I CB 1.458 39.566 38.000 0.181 0.000 1.410 70 I HN -0.297 nan 8.210 nan 0.000 0.507 71 D N 5.834 126.238 120.400 0.007 0.000 2.739 71 D HA 0.424 5.067 4.640 0.006 0.000 0.335 71 D C -2.556 173.686 176.300 -0.096 0.000 1.216 71 D CA -1.602 52.379 54.000 -0.031 0.000 0.808 71 D CB 0.582 41.365 40.800 -0.029 0.000 1.121 71 D HN 0.351 nan 8.370 nan 0.000 0.499 72 P HA 0.070 nan 4.420 nan 0.000 0.266 72 P C -0.507 176.675 177.300 -0.197 0.000 1.215 72 P CA -0.068 62.844 63.100 -0.315 0.000 0.763 72 P CB 0.521 31.822 31.700 -0.665 0.000 0.806 73 Q N 5.344 125.054 119.800 -0.150 0.000 2.279 73 Q HA 0.290 4.634 4.340 0.006 0.000 0.256 73 Q C -2.030 173.924 176.000 -0.076 0.000 0.937 73 Q CA -1.886 53.864 55.803 -0.088 0.000 0.933 73 Q CB 0.592 29.291 28.738 -0.065 0.000 1.189 73 Q HN 0.395 nan 8.270 nan 0.000 0.417 74 P HA 0.093 nan 4.420 nan 0.000 0.277 74 P C 0.652 177.956 177.300 0.006 0.000 1.276 74 P CA -0.319 62.772 63.100 -0.016 0.000 0.788 74 P CB 1.090 32.791 31.700 0.002 0.000 1.114 75 L N -1.052 120.181 121.223 0.017 0.000 2.027 75 L HA 0.027 4.371 4.340 0.006 0.000 0.206 75 L C -1.084 175.821 176.870 0.059 0.000 1.074 75 L CA 0.894 55.751 54.840 0.028 0.000 0.745 75 L CB -2.116 39.952 42.059 0.015 0.000 0.898 75 L HN 0.306 nan 8.230 nan 0.000 0.433 76 P HA 0.039 nan 4.420 nan 0.000 0.272 76 P C -0.520 176.866 177.300 0.143 0.000 1.223 76 P CA -0.013 63.154 63.100 0.111 0.000 0.784 76 P CB 0.756 32.507 31.700 0.085 0.000 0.923 77 V N 3.638 123.687 119.914 0.226 0.000 2.637 77 V HA 0.090 4.214 4.120 0.006 0.000 0.296 77 V C 0.584 176.776 176.094 0.163 0.000 1.046 77 V CA 0.139 62.550 62.300 0.185 0.000 1.066 77 V CB 0.055 32.022 31.823 0.240 0.000 0.968 77 V HN 0.343 nan 8.190 nan 0.000 0.483 78 I N 4.039 124.682 120.570 0.123 0.000 2.354 78 I HA 0.374 4.547 4.170 0.006 0.000 0.292 78 I C 0.310 176.513 176.117 0.143 0.000 0.989 78 I CA 0.004 61.374 61.300 0.117 0.000 1.188 78 I CB 1.648 39.696 38.000 0.080 0.000 1.342 78 I HN 0.575 nan 8.210 nan 0.000 0.457 79 T N 3.840 118.474 114.554 0.133 0.000 2.859 79 T HA 0.436 4.790 4.350 0.006 0.000 0.281 79 T C 0.100 174.797 174.700 -0.006 0.000 1.005 79 T CA -0.482 61.653 62.100 0.058 0.000 1.025 79 T CB 2.057 70.951 68.868 0.044 0.000 0.977 79 T HN 0.629 nan 8.240 nan 0.000 0.458 80 T N 2.217 116.743 114.554 -0.046 0.000 2.881 80 T HA 0.380 4.733 4.350 0.006 0.000 0.290 80 T C -1.118 173.562 174.700 -0.033 0.000 1.000 80 T CA -0.736 61.356 62.100 -0.014 0.000 0.978 80 T CB 0.948 69.834 68.868 0.029 0.000 0.997 80 T HN 0.587 nan 8.240 nan 0.000 0.443 81 E N 3.866 124.065 120.200 -0.001 0.000 2.130 81 E HA 0.497 4.851 4.350 0.006 0.000 0.284 81 E C -0.586 176.054 176.600 0.066 0.000 1.018 81 E CA -0.226 56.188 56.400 0.023 0.000 0.817 81 E CB 1.108 30.833 29.700 0.043 0.000 1.078 81 E HN 0.506 nan 8.360 nan 0.000 0.396 82 I N 2.475 123.097 120.570 0.086 0.000 2.447 82 I HA 0.636 4.810 4.170 0.006 0.000 0.287 82 I C -0.720 175.485 176.117 0.148 0.000 1.023 82 I CA -0.712 60.662 61.300 0.123 0.000 1.083 82 I CB 1.805 39.885 38.000 0.133 0.000 1.245 82 I HN 0.542 nan 8.210 nan 0.000 0.434 83 A N 3.572 126.485 122.820 0.156 0.000 2.411 83 A HA 0.421 4.744 4.320 0.006 0.000 0.303 83 A C -0.028 177.661 177.584 0.175 0.000 1.038 83 A CA -0.271 51.870 52.037 0.173 0.000 1.011 83 A CB 0.564 19.651 19.000 0.145 0.000 1.505 83 A HN 0.723 nan 8.150 nan 0.000 0.380 84 S N 0.795 116.638 115.700 0.239 0.000 2.603 84 S HA 0.490 4.963 4.470 0.006 0.000 0.232 84 S C 1.386 176.236 174.600 0.418 0.000 1.016 84 S CA 0.944 59.303 58.200 0.264 0.000 0.976 84 S CB 0.454 63.819 63.200 0.276 0.000 0.921 84 S HN 2.647 nan 8.310 nan 0.000 0.516 85 G N 1.693 110.707 108.800 0.357 0.000 2.232 85 G HA2 -0.205 3.758 3.960 0.006 0.000 0.226 85 G HA3 -0.205 3.758 3.960 0.006 0.000 0.226 85 G C 0.109 175.158 174.900 0.248 0.000 0.996 85 G CA -0.261 45.041 45.100 0.336 0.000 0.626 85 G HN 0.539 nan 8.290 nan 0.000 0.509 86 R N 0.469 121.129 120.500 0.267 0.000 2.443 86 R HA 0.411 4.755 4.340 0.006 0.000 0.287 86 R C 1.327 177.659 176.300 0.055 0.000 1.425 86 R CA -0.297 55.803 56.100 -0.000 0.000 1.300 86 R CB -0.051 30.004 30.300 -0.408 0.000 1.129 86 R HN 0.402 nan 8.270 nan 0.000 0.577 87 F N 1.754 121.749 119.950 0.073 0.000 2.346 87 F HA -0.184 4.347 4.527 0.007 0.000 0.301 87 F C 1.806 177.641 175.800 0.058 0.000 1.070 87 F CA 1.154 59.207 58.000 0.088 0.000 1.407 87 F CB 0.076 39.127 39.000 0.086 0.000 1.072 87 F HN 0.329 nan 8.300 nan 0.000 0.543 88 E N 0.337 120.059 120.200 -0.797 0.000 2.442 88 E HA -0.113 4.241 4.350 0.006 0.000 0.195 88 E C 0.762 177.219 176.600 -0.239 0.000 1.030 88 E CA 0.864 56.887 56.400 -0.628 0.000 0.869 88 E CB -0.586 28.662 29.700 -0.755 0.000 0.857 88 E HN 0.506 nan 8.360 nan 0.000 0.505 89 D N 1.463 121.795 120.400 -0.112 0.000 2.262 89 D HA -0.060 4.584 4.640 0.006 0.000 0.212 89 D C 1.066 177.425 176.300 0.098 0.000 0.964 89 D CA 0.597 54.622 54.000 0.042 0.000 0.875 89 D CB 0.040 40.959 40.800 0.198 0.000 0.996 89 D HN 0.110 nan 8.370 nan 0.000 0.497 90 D N 1.288 121.769 120.400 0.135 0.000 2.149 90 D HA -0.117 4.527 4.640 0.006 0.000 0.198 90 D C 2.167 178.522 176.300 0.092 0.000 0.990 90 D CA 0.413 54.508 54.000 0.157 0.000 0.839 90 D CB -0.306 40.618 40.800 0.207 0.000 0.948 90 D HN 0.253 nan 8.370 nan 0.000 0.460 91 I N 0.454 121.064 120.570 0.067 0.000 2.335 91 I HA -0.258 3.916 4.170 0.006 0.000 0.251 91 I C 2.387 178.509 176.117 0.008 0.000 1.129 91 I CA 0.988 62.317 61.300 0.048 0.000 1.402 91 I CB -0.026 37.993 38.000 0.032 0.000 1.069 91 I HN -0.027 nan 8.210 nan 0.000 0.424 92 R N -0.070 120.413 120.500 -0.027 0.000 2.090 92 R HA -0.125 4.219 4.340 0.006 0.000 0.228 92 R C 2.390 178.616 176.300 -0.123 0.000 1.110 92 R CA 0.891 56.946 56.100 -0.075 0.000 0.973 92 R CB -0.247 29.993 30.300 -0.100 0.000 0.869 92 R HN 0.298 nan 8.270 nan 0.000 0.440 93 R N 0.589 121.000 120.500 -0.147 0.000 2.148 93 R HA 0.002 4.346 4.340 0.006 0.000 0.223 93 R C 2.060 178.346 176.300 -0.023 0.000 1.088 93 R CA 0.932 56.930 56.100 -0.170 0.000 0.985 93 R CB 0.072 30.305 30.300 -0.112 0.000 0.880 93 R HN 0.166 nan 8.270 nan 0.000 0.451 94 M N -0.433 119.183 119.600 0.025 0.000 2.229 94 M HA -0.124 4.359 4.480 0.006 0.000 0.264 94 M C 2.366 178.718 176.300 0.087 0.000 1.063 94 M CA 1.370 56.709 55.300 0.064 0.000 1.114 94 M CB -0.243 32.401 32.600 0.074 0.000 1.387 94 M HN 0.102 nan 8.290 nan 0.000 0.420 95 R N 0.899 121.447 120.500 0.080 0.000 2.090 95 R HA -0.058 4.285 4.340 0.006 0.000 0.228 95 R C 2.023 178.461 176.300 0.230 0.000 1.110 95 R CA 1.236 57.434 56.100 0.163 0.000 0.973 95 R CB -0.053 30.314 30.300 0.111 0.000 0.869 95 R HN 0.347 nan 8.270 nan 0.000 0.440 96 M N 0.048 119.702 119.600 0.090 0.000 2.086 96 M HA -0.129 4.354 4.480 0.006 0.000 0.261 96 M C 2.505 178.935 176.300 0.216 0.000 1.067 96 M CA 1.999 57.355 55.300 0.094 0.000 1.116 96 M CB -0.338 32.236 32.600 -0.043 0.000 1.348 96 M HN 0.256 nan 8.290 nan 0.000 0.407 97 A N 0.370 123.269 122.820 0.133 0.000 1.933 97 A HA -0.026 4.297 4.320 0.006 0.000 0.218 97 A C 2.384 180.082 177.584 0.190 0.000 1.175 97 A CA 1.849 53.968 52.037 0.137 0.000 0.628 97 A CB -0.903 18.148 19.000 0.085 0.000 0.814 97 A HN 0.512 nan 8.150 nan 0.000 0.444 98 A N -1.475 121.460 122.820 0.191 0.000 1.933 98 A HA -0.141 4.183 4.320 0.006 0.000 0.218 98 A C 1.896 179.560 177.584 0.132 0.000 1.175 98 A CA 1.392 53.506 52.037 0.129 0.000 0.628 98 A CB -0.834 18.219 19.000 0.089 0.000 0.814 98 A HN 0.721 nan 8.150 nan 0.000 0.444 99 W N -0.559 120.782 121.300 0.069 0.000 2.425 99 W HA -0.045 4.619 4.660 0.007 0.000 0.277 99 W C 1.997 178.507 176.519 -0.015 0.000 1.231 99 W CA 1.342 58.704 57.345 0.027 0.000 1.248 99 W CB -0.283 29.196 29.460 0.032 0.000 1.117 99 W HN 0.493 nan 8.180 nan 0.000 0.568 100 H N -1.315 117.875 119.070 0.201 0.000 2.526 100 H HA 0.238 4.798 4.556 0.006 0.000 0.274 100 H C 1.733 177.104 175.328 0.072 0.000 0.999 100 H CA 0.884 57.006 56.048 0.124 0.000 1.157 100 H CB 0.238 30.064 29.762 0.107 0.000 1.407 100 H HN 0.271 nan 8.280 nan 0.000 0.568 101 G N 0.550 109.427 108.800 0.128 0.000 2.211 101 G HA2 -0.230 3.733 3.960 0.006 0.000 0.201 101 G HA3 -0.230 3.733 3.960 0.006 0.000 0.201 101 G C 0.525 175.457 174.900 0.053 0.000 0.997 101 G CA -0.094 45.039 45.100 0.056 0.000 0.652 101 G HN 0.558 nan 8.290 nan 0.000 0.500 102 A N 1.223 124.092 122.820 0.082 0.000 2.511 102 A HA 0.492 4.816 4.320 0.006 0.000 0.242 102 A C 0.946 178.551 177.584 0.035 0.000 1.069 102 A CA 1.227 53.303 52.037 0.066 0.000 0.763 102 A CB 0.182 19.228 19.000 0.075 0.000 1.001 102 A HN 0.940 nan 8.150 nan 0.000 0.498 103 D N 0.775 121.192 120.400 0.028 0.000 2.636 103 D HA 0.077 4.721 4.640 0.006 0.000 0.270 103 D C -0.192 176.098 176.300 -0.017 0.000 1.430 103 D CA 0.070 54.056 54.000 -0.024 0.000 0.796 103 D CB -0.582 40.175 40.800 -0.071 0.000 1.117 103 D HN 0.716 nan 8.370 nan 0.000 0.480 104 H N 0.673 119.694 119.070 -0.081 0.000 3.275 104 H HA 0.277 4.836 4.556 0.006 0.000 0.326 104 H C -1.244 174.079 175.328 -0.009 0.000 1.096 104 H CA -0.599 55.399 56.048 -0.083 0.000 1.579 104 H CB 0.998 30.733 29.762 -0.045 0.000 1.834 104 H HN -0.122 nan 8.280 nan 0.000 0.510 105 I N 5.542 126.116 120.570 0.007 0.000 2.336 105 I HA 0.254 4.427 4.170 0.006 0.000 0.292 105 I C -0.012 176.045 176.117 -0.100 0.000 0.991 105 I CA -0.411 60.881 61.300 -0.014 0.000 1.227 105 I CB 1.413 39.491 38.000 0.131 0.000 1.366 105 I HN 0.630 nan 8.210 nan 0.000 0.466 106 M N 6.351 125.860 119.600 -0.150 0.000 2.243 106 M HA 0.458 4.942 4.480 0.006 0.000 0.324 106 M C -1.312 174.988 176.300 -0.000 0.000 1.031 106 M CA -0.653 54.556 55.300 -0.151 0.000 0.949 106 M CB 2.076 34.510 32.600 -0.277 0.000 1.615 106 M HN 0.257 nan 8.290 nan 0.000 0.430 107 V N 6.419 126.342 119.914 0.015 0.000 2.313 107 V HA 0.384 4.507 4.120 0.006 0.000 0.278 107 V C 0.125 176.374 176.094 0.258 0.000 1.017 107 V CA -0.683 61.683 62.300 0.109 0.000 0.823 107 V CB 0.979 32.846 31.823 0.073 0.000 1.010 107 V HN 0.770 nan 8.190 nan 0.000 0.443 108 I N 4.787 125.502 120.570 0.240 0.000 2.754 108 I HA 0.200 4.373 4.170 0.006 0.000 0.285 108 I C 0.932 177.072 176.117 0.039 0.000 1.166 108 I CA 0.078 61.449 61.300 0.119 0.000 1.417 108 I CB 0.331 38.331 38.000 -0.000 0.000 1.382 108 I HN 0.498 nan 8.210 nan 0.000 0.588 109 R N 2.984 123.425 120.500 -0.099 0.000 2.459 109 R HA 0.263 4.606 4.340 0.006 0.000 0.281 109 R C 0.107 176.374 176.300 -0.055 0.000 1.050 109 R CA -0.631 55.443 56.100 -0.043 0.000 1.055 109 R CB 1.031 31.286 30.300 -0.075 0.000 1.045 109 R HN 0.588 nan 8.270 nan 0.000 0.495 110 T N 1.110 115.666 114.554 0.004 0.000 2.908 110 T HA 0.051 4.405 4.350 0.006 0.000 0.325 110 T C 0.378 175.061 174.700 -0.028 0.000 1.092 110 T CA -0.277 61.841 62.100 0.030 0.000 1.125 110 T CB 0.340 69.267 68.868 0.099 0.000 1.016 110 T HN 0.635 nan 8.240 nan 0.000 0.550 111 A N 2.679 125.503 122.820 0.007 0.000 2.573 111 A HA 0.446 4.769 4.320 0.006 0.000 0.250 111 A C 1.686 179.254 177.584 -0.026 0.000 1.049 111 A CA 0.504 52.537 52.037 -0.006 0.000 0.767 111 A CB -1.249 17.768 19.000 0.027 0.000 0.965 111 A HN 2.136 nan 8.150 nan 0.000 0.514 112 G N 1.620 110.386 108.800 -0.057 0.000 2.162 112 G HA2 -0.364 3.600 3.960 0.006 0.000 0.260 112 G HA3 -0.364 3.600 3.960 0.006 0.000 0.260 112 G C 0.891 175.562 174.900 -0.382 0.000 0.976 112 G CA 0.978 46.053 45.100 -0.041 0.000 0.655 112 G HN 1.141 nan 8.290 nan 0.000 0.533 113 Q N 0.423 119.827 119.800 -0.660 0.000 2.297 113 Q HA -0.010 4.334 4.340 0.006 0.000 0.208 113 Q C 2.475 178.096 176.000 -0.631 0.000 0.981 113 Q CA 1.952 57.014 55.803 -1.234 0.000 0.876 113 Q CB -0.379 27.983 28.738 -0.628 0.000 0.921 113 Q HN 0.502 nan 8.270 nan 0.000 0.446 114 S N -0.987 114.512 115.700 -0.336 0.000 2.465 114 S HA -0.148 4.325 4.470 0.006 0.000 0.241 114 S C 1.056 175.472 174.600 -0.306 0.000 1.000 114 S CA 0.880 58.932 58.200 -0.247 0.000 0.964 114 S CB -0.163 62.922 63.200 -0.192 0.000 0.763 114 S HN 0.565 nan 8.310 nan 0.000 0.512 115 H N -1.352 117.662 119.070 -0.094 0.000 2.874 115 H HA 0.170 4.729 4.556 0.006 0.000 0.264 115 H C -0.468 174.975 175.328 0.192 0.000 1.007 115 H CA -0.166 55.910 56.048 0.046 0.000 1.207 115 H CB 0.180 29.976 29.762 0.058 0.000 1.487 115 H HN 0.281 nan 8.280 nan 0.000 0.505 116 Y N 1.974 122.330 120.300 0.094 0.000 2.729 116 Y HA -0.067 4.487 4.550 0.006 0.000 0.331 116 Y C 1.091 177.008 175.900 0.030 0.000 1.208 116 Y CA -0.372 57.759 58.100 0.052 0.000 1.521 116 Y CB -0.082 38.398 38.460 0.032 0.000 1.233 116 Y HN 0.037 nan 8.280 nan 0.000 0.539 117 D N 2.343 122.849 120.400 0.177 0.000 2.994 117 D HA 0.380 5.024 4.640 0.006 0.000 0.240 117 D C 0.464 176.810 176.300 0.077 0.000 1.195 117 D CA 0.524 54.586 54.000 0.103 0.000 0.957 117 D CB -0.442 40.407 40.800 0.081 0.000 1.105 117 D HN 0.827 nan 8.370 nan 0.000 0.477 118 G N -0.224 108.628 108.800 0.087 0.000 2.352 118 G HA2 0.061 4.025 3.960 0.006 0.000 0.302 118 G HA3 0.061 4.025 3.960 0.006 0.000 0.302 118 G C -0.852 174.088 174.900 0.066 0.000 1.370 118 G CA -1.029 44.103 45.100 0.054 0.000 0.918 118 G HN 0.178 nan 8.290 nan 0.000 0.610 119 L N 0.535 121.779 121.223 0.035 0.000 2.479 119 L HA 0.486 4.830 4.340 0.006 0.000 0.270 119 L C 1.185 178.079 176.870 0.039 0.000 1.236 119 L CA -0.215 54.649 54.840 0.040 0.000 0.823 119 L CB 0.232 42.300 42.059 0.015 0.000 1.098 119 L HN 0.664 nan 8.230 nan 0.000 0.500 120 I N -2.291 118.313 120.570 0.055 0.000 3.133 120 I HA 0.653 4.827 4.170 0.006 0.000 0.311 120 I C -0.710 175.404 176.117 -0.004 0.000 1.072 120 I CA -0.913 60.390 61.300 0.005 0.000 1.015 120 I CB 2.122 40.126 38.000 0.007 0.000 1.233 120 I HN 0.446 nan 8.210 nan 0.000 0.473 121 E N 0.807 120.987 120.200 -0.033 0.000 2.392 121 E HA 0.585 4.939 4.350 0.006 0.000 0.269 121 E C 0.013 176.579 176.600 -0.058 0.000 0.924 121 E CA -0.065 56.298 56.400 -0.061 0.000 0.784 121 E CB 1.855 31.500 29.700 -0.092 0.000 1.292 121 E HN 1.083 nan 8.360 nan 0.000 0.447 122 G N 1.081 109.830 108.800 -0.085 0.000 2.539 122 G HA2 -0.273 3.691 3.960 0.006 0.000 0.256 122 G HA3 -0.273 3.691 3.960 0.006 0.000 0.256 122 G C -0.101 174.787 174.900 -0.019 0.000 1.233 122 G CA 0.341 45.409 45.100 -0.054 0.000 0.936 122 G HN 0.983 nan 8.290 nan 0.000 0.571 123 T N -1.630 112.946 114.554 0.036 0.000 3.631 123 T HA 0.615 4.969 4.350 0.006 0.000 0.256 123 T C -2.625 172.145 174.700 0.118 0.000 1.187 123 T CA -0.087 62.080 62.100 0.111 0.000 1.667 123 T CB 2.204 71.241 68.868 0.282 0.000 0.804 123 T HN 0.678 nan 8.240 nan 0.000 0.639 124 P HA 0.239 nan 4.420 nan 0.000 0.279 124 P C -0.031 177.320 177.300 0.086 0.000 1.239 124 P CA -0.294 62.844 63.100 0.064 0.000 0.789 124 P CB 0.856 32.584 31.700 0.048 0.000 0.933 125 Q N 1.817 121.644 119.800 0.046 0.000 2.398 125 Q HA 0.181 4.524 4.340 0.006 0.000 0.329 125 Q C 0.253 176.306 176.000 0.088 0.000 1.079 125 Q CA 0.674 56.495 55.803 0.031 0.000 1.041 125 Q CB -0.162 28.560 28.738 -0.027 0.000 1.084 125 Q HN 0.655 nan 8.270 nan 0.000 0.386 126 G N 3.507 112.384 108.800 0.129 0.000 2.511 126 G HA2 0.555 4.519 3.960 0.006 0.000 0.316 126 G HA3 0.555 4.519 3.960 0.006 0.000 0.316 126 G C -1.159 173.841 174.900 0.166 0.000 1.210 126 G CA -0.669 44.522 45.100 0.152 0.000 0.969 126 G HN 0.874 nan 8.290 nan 0.000 0.492 127 I N -1.043 119.612 120.570 0.142 0.000 2.497 127 I HA 0.571 4.744 4.170 0.006 0.000 0.284 127 I C 0.649 176.823 176.117 0.095 0.000 1.060 127 I CA 0.460 61.839 61.300 0.132 0.000 1.071 127 I CB 1.406 39.472 38.000 0.111 0.000 1.216 127 I HN 1.246 nan 8.210 nan 0.000 0.442 128 G N 3.714 112.569 108.800 0.092 0.000 2.159 128 G HA2 0.127 4.090 3.960 0.006 0.000 0.256 128 G HA3 0.127 4.090 3.960 0.006 0.000 0.256 128 G C 0.420 175.349 174.900 0.049 0.000 0.977 128 G CA -0.079 45.052 45.100 0.053 0.000 0.652 128 G HN 1.811 nan 8.290 nan 0.000 0.531 129 G N -2.546 106.308 108.800 0.090 0.000 2.327 129 G HA2 0.542 4.506 3.960 0.006 0.000 0.291 129 G HA3 0.542 4.506 3.960 0.006 0.000 0.291 129 G C -1.182 173.801 174.900 0.139 0.000 1.290 129 G CA 0.184 45.341 45.100 0.095 0.000 0.857 129 G HN 1.189 nan 8.290 nan 0.000 0.520 130 V N 1.573 121.575 119.914 0.147 0.000 2.481 130 V HA 0.497 4.621 4.120 0.006 0.000 0.286 130 V C -2.056 174.123 176.094 0.142 0.000 1.042 130 V CA -1.411 60.995 62.300 0.176 0.000 0.928 130 V CB 1.927 33.879 31.823 0.214 0.000 0.986 130 V HN 0.503 nan 8.190 nan 0.000 0.462 131 P HA 0.188 nan 4.420 nan 0.000 0.273 131 P C -0.467 176.904 177.300 0.117 0.000 1.319 131 P CA -0.129 63.059 63.100 0.148 0.000 0.885 131 P CB -0.085 31.709 31.700 0.156 0.000 1.015 132 I N 4.129 124.781 120.570 0.135 0.000 2.436 132 I HA 0.194 4.368 4.170 0.006 0.000 0.289 132 I C 1.090 177.290 176.117 0.139 0.000 1.083 132 I CA 0.465 61.856 61.300 0.152 0.000 1.372 132 I CB -0.340 37.806 38.000 0.243 0.000 1.408 132 I HN 0.310 nan 8.210 nan 0.000 0.516 133 T N 2.575 117.183 114.554 0.089 0.000 2.864 133 T HA 0.392 4.746 4.350 0.006 0.000 0.299 133 T C 0.874 175.616 174.700 0.069 0.000 1.166 133 T CA -0.905 61.232 62.100 0.061 0.000 1.007 133 T CB 2.338 71.206 68.868 -0.001 0.000 1.219 133 T HN 0.607 nan 8.240 nan 0.000 0.506 134 R N 0.590 121.131 120.500 0.069 0.000 2.117 134 R HA -0.130 4.214 4.340 0.006 0.000 0.243 134 R C 2.184 178.572 176.300 0.145 0.000 1.143 134 R CA 1.996 58.171 56.100 0.126 0.000 0.968 134 R CB -0.260 30.114 30.300 0.122 0.000 0.863 134 R HN 0.765 nan 8.270 nan 0.000 0.444 135 K N 0.039 120.469 120.400 0.051 0.000 2.062 135 K HA -0.176 4.147 4.320 0.006 0.000 0.205 135 K C 2.228 178.788 176.600 -0.067 0.000 1.051 135 K CA 1.447 57.788 56.287 0.091 0.000 0.941 135 K CB -0.067 32.436 32.500 0.006 0.000 0.719 135 K HN 0.157 nan 8.250 nan 0.000 0.440 136 Q N 0.902 120.549 119.800 -0.256 0.000 2.083 136 Q HA -0.096 4.248 4.340 0.006 0.000 0.198 136 Q C 1.963 177.821 176.000 -0.238 0.000 0.969 136 Q CA 1.428 56.872 55.803 -0.599 0.000 0.838 136 Q CB -0.133 28.110 28.738 -0.824 0.000 0.900 136 Q HN 0.233 nan 8.270 nan 0.000 0.436 137 V N 1.966 121.868 119.914 -0.021 0.000 2.287 137 V HA -0.284 3.840 4.120 0.006 0.000 0.248 137 V C 2.716 178.809 176.094 -0.002 0.000 1.053 137 V CA 2.298 64.666 62.300 0.113 0.000 1.027 137 V CB -0.619 31.348 31.823 0.239 0.000 0.646 137 V HN 0.364 nan 8.190 nan 0.000 0.447 138 R N -0.152 120.365 120.500 0.030 0.000 2.073 138 R HA -0.107 4.237 4.340 0.006 0.000 0.234 138 R C 2.422 178.554 176.300 -0.280 0.000 1.134 138 R CA 1.504 57.590 56.100 -0.023 0.000 0.952 138 R CB -0.605 29.763 30.300 0.115 0.000 0.850 138 R HN 0.542 nan 8.270 nan 0.000 0.433 139 A N 0.950 123.672 122.820 -0.162 0.000 1.930 139 A HA -0.174 4.150 4.320 0.006 0.000 0.217 139 A C 2.017 179.519 177.584 -0.136 0.000 1.175 139 A CA 1.102 53.067 52.037 -0.120 0.000 0.627 139 A CB -0.237 18.826 19.000 0.106 0.000 0.815 139 A HN 0.320 nan 8.150 nan 0.000 0.443 140 Q N -1.425 118.283 119.800 -0.155 0.000 2.096 140 Q HA -0.106 4.237 4.340 0.006 0.000 0.197 140 Q C 2.342 178.073 176.000 -0.449 0.000 0.964 140 Q CA 1.248 56.917 55.803 -0.223 0.000 0.838 140 Q CB -0.084 28.551 28.738 -0.173 0.000 0.906 140 Q HN 0.499 nan 8.270 nan 0.000 0.444 141 R N 1.575 121.746 120.500 -0.549 0.000 2.115 141 R HA -0.079 4.265 4.340 0.006 0.000 0.226 141 R C 1.865 178.018 176.300 -0.246 0.000 1.100 141 R CA 1.464 57.301 56.100 -0.438 0.000 0.980 141 R CB -0.108 30.063 30.300 -0.215 0.000 0.875 141 R HN 0.043 nan 8.270 nan 0.000 0.445 142 K N -0.519 119.585 120.400 -0.493 0.000 2.001 142 K HA -0.035 4.288 4.320 0.006 0.000 0.208 142 K C 1.849 178.305 176.600 -0.241 0.000 1.048 142 K CA 1.350 57.277 56.287 -0.600 0.000 0.932 142 K CB -0.266 31.562 32.500 -1.118 0.000 0.715 142 K HN 0.187 nan 8.250 nan 0.000 0.437 143 A N 1.446 124.139 122.820 -0.210 0.000 1.940 143 A HA -0.138 4.185 4.320 0.006 0.000 0.219 143 A C 2.100 179.638 177.584 -0.076 0.000 1.176 143 A CA 1.351 53.324 52.037 -0.105 0.000 0.631 143 A CB -0.632 18.326 19.000 -0.070 0.000 0.814 143 A HN 0.357 nan 8.150 nan 0.000 0.446 144 L N -0.651 120.503 121.223 -0.115 0.000 2.201 144 L HA -0.152 4.191 4.340 0.006 0.000 0.212 144 L C 1.830 178.673 176.870 -0.044 0.000 1.105 144 L CA 0.956 55.749 54.840 -0.078 0.000 0.775 144 L CB -0.544 41.443 42.059 -0.120 0.000 0.913 144 L HN 0.290 nan 8.230 nan 0.000 0.440 145 D N 0.251 120.633 120.400 -0.029 0.000 2.117 145 D HA -0.149 4.494 4.640 0.006 0.000 0.197 145 D C 2.371 178.672 176.300 0.002 0.000 0.987 145 D CA 1.193 55.199 54.000 0.009 0.000 0.829 145 D CB -0.089 40.756 40.800 0.075 0.000 0.961 145 D HN 0.245 nan 8.370 nan 0.000 0.460 146 L N 0.272 121.496 121.223 0.000 0.000 2.027 146 L HA -0.083 4.261 4.340 0.006 0.000 0.206 146 L C 2.468 179.347 176.870 0.016 0.000 1.074 146 L CA 0.710 55.556 54.840 0.011 0.000 0.745 146 L CB -0.296 41.769 42.059 0.011 0.000 0.898 146 L HN 0.005 nan 8.230 nan 0.000 0.433 147 I N 0.149 120.729 120.570 0.017 0.000 2.361 147 I HA -0.269 3.904 4.170 0.006 0.000 0.251 147 I C 2.602 178.709 176.117 -0.017 0.000 1.133 147 I CA 1.445 62.766 61.300 0.035 0.000 1.413 147 I CB -0.342 37.690 38.000 0.053 0.000 1.073 147 I HN 0.407 nan 8.210 nan 0.000 0.424 148 E N 1.103 121.281 120.200 -0.036 0.000 2.216 148 E HA -0.180 4.174 4.350 0.006 0.000 0.192 148 E C 1.789 178.342 176.600 -0.077 0.000 0.988 148 E CA 0.722 57.082 56.400 -0.067 0.000 0.834 148 E CB -0.259 29.402 29.700 -0.065 0.000 0.772 148 E HN 0.508 nan 8.360 nan 0.000 0.479 149 E N 1.070 121.239 120.200 -0.051 0.000 2.072 149 E HA -0.209 4.144 4.350 0.006 0.000 0.191 149 E C 2.045 178.604 176.600 -0.068 0.000 0.985 149 E CA 1.153 57.523 56.400 -0.050 0.000 0.801 149 E CB 0.032 29.718 29.700 -0.023 0.000 0.750 149 E HN 0.427 nan 8.360 nan 0.000 0.452 150 E N 0.660 120.825 120.200 -0.057 0.000 2.023 150 E HA -0.187 4.167 4.350 0.006 0.000 0.196 150 E C 2.215 178.674 176.600 -0.236 0.000 1.003 150 E CA 2.036 58.394 56.400 -0.070 0.000 0.809 150 E CB 0.019 29.749 29.700 0.050 0.000 0.755 150 E HN 0.194 nan 8.360 nan 0.000 0.449 151 V N -2.430 117.282 119.914 -0.336 0.000 2.970 151 V HA 0.226 4.350 4.120 0.006 0.000 0.260 151 V C 1.462 177.378 176.094 -0.297 0.000 1.100 151 V CA 1.143 63.150 62.300 -0.489 0.000 1.122 151 V CB -0.305 31.198 31.823 -0.533 0.000 0.721 151 V HN 0.504 nan 8.190 nan 0.000 0.483 152 G N 0.397 109.081 108.800 -0.194 0.000 2.130 152 G HA2 -0.213 3.750 3.960 0.006 0.000 0.216 152 G HA3 -0.213 3.750 3.960 0.006 0.000 0.216 152 G C 0.118 174.947 174.900 -0.117 0.000 0.999 152 G CA 0.245 45.261 45.100 -0.139 0.000 0.686 152 G HN 1.049 nan 8.290 nan 0.000 0.515 153 R N -0.146 120.282 120.500 -0.121 0.000 2.561 153 R HA 0.467 4.811 4.340 0.006 0.000 0.266 153 R C -3.024 173.209 176.300 -0.112 0.000 1.091 153 R CA -1.348 54.689 56.100 -0.106 0.000 0.927 153 R CB 1.940 32.180 30.300 -0.101 0.000 1.240 153 R HN 0.022 nan 8.270 nan 0.000 0.449 154 P HA 0.132 nan 4.420 nan 0.000 0.267 154 P C -0.290 176.912 177.300 -0.164 0.000 1.200 154 P CA 0.113 63.133 63.100 -0.133 0.000 0.772 154 P CB 0.681 32.291 31.700 -0.149 0.000 0.855 155 I N 2.272 122.756 120.570 -0.144 0.000 2.441 155 I HA 0.251 4.425 4.170 0.006 0.000 0.295 155 I C 0.559 176.576 176.117 -0.167 0.000 0.994 155 I CA -0.789 60.429 61.300 -0.136 0.000 1.144 155 I CB 1.476 39.442 38.000 -0.058 0.000 1.314 155 I HN 0.158 nan 8.210 nan 0.000 0.445 156 N N 5.223 123.778 118.700 -0.242 0.000 2.420 156 N HA 0.149 4.893 4.740 0.006 0.000 0.249 156 N C -0.906 174.684 175.510 0.134 0.000 1.033 156 N CA -0.312 52.591 53.050 -0.244 0.000 0.944 156 N CB 1.222 39.184 38.487 -0.875 0.000 1.113 156 N HN 0.424 nan 8.380 nan 0.000 0.502 157 Y N 2.165 122.470 120.300 0.008 0.000 2.304 157 Y HA 0.191 4.745 4.550 0.006 0.000 0.327 157 Y C -0.234 175.736 175.900 0.118 0.000 1.209 157 Y CA -0.113 58.013 58.100 0.044 0.000 1.299 157 Y CB 0.506 38.955 38.460 -0.018 0.000 1.249 157 Y HN 0.560 nan 8.280 nan 0.000 0.519 158 H N 2.281 121.013 119.070 -0.564 0.000 3.129 158 H HA 0.481 5.041 4.556 0.006 0.000 0.342 158 H C -1.368 173.609 175.328 -0.586 0.000 1.092 158 H CA -0.169 55.644 56.048 -0.391 0.000 1.310 158 H CB 1.356 31.113 29.762 -0.009 0.000 1.932 158 H HN 0.700 nan 8.280 nan 0.000 0.507 159 S N 2.562 117.851 115.700 -0.684 0.000 3.121 159 S HA 0.519 4.992 4.470 0.006 0.000 0.324 159 S C -1.846 172.570 174.600 -0.306 0.000 1.192 159 S CA -0.564 57.404 58.200 -0.385 0.000 0.937 159 S CB 0.704 63.743 63.200 -0.268 0.000 1.336 159 S HN 0.489 nan 8.310 nan 0.000 0.664 160 Y N 0.567 120.948 120.300 0.135 0.000 2.364 160 Y HA 0.551 5.105 4.550 0.006 0.000 0.340 160 Y C -0.228 175.759 175.900 0.144 0.000 0.975 160 Y CA -0.889 57.269 58.100 0.098 0.000 1.089 160 Y CB 1.669 40.075 38.460 -0.091 0.000 1.192 160 Y HN 0.221 nan 8.280 nan 0.000 0.454 161 V N 3.291 123.328 119.914 0.205 0.000 2.125 161 V HA 0.212 4.336 4.120 0.006 0.000 0.263 161 V C 0.033 176.137 176.094 0.017 0.000 1.365 161 V CA 0.170 62.483 62.300 0.021 0.000 1.276 161 V CB -0.192 31.632 31.823 0.001 0.000 1.350 161 V HN 0.818 nan 8.190 nan 0.000 0.487 162 S N 1.805 117.509 115.700 0.007 0.000 2.823 162 S HA 0.947 5.421 4.470 0.006 0.000 0.316 162 S C 0.309 174.887 174.600 -0.036 0.000 1.116 162 S CA 0.378 58.577 58.200 -0.001 0.000 0.911 162 S CB 1.719 64.914 63.200 -0.009 0.000 1.276 162 S HN 1.340 nan 8.310 nan 0.000 0.565 163 G N -0.158 108.625 108.800 -0.030 0.000 2.681 163 G HA2 -0.200 3.763 3.960 0.006 0.000 0.220 163 G HA3 -0.200 3.763 3.960 0.006 0.000 0.220 163 G C 0.748 175.601 174.900 -0.078 0.000 1.353 163 G CA 0.286 45.329 45.100 -0.094 0.000 0.872 163 G HN 1.721 nan 8.290 nan 0.000 0.557 164 V N -2.950 116.917 119.914 -0.079 0.000 3.041 164 V HA 0.533 4.656 4.120 0.006 0.000 0.260 164 V C 1.808 177.899 176.094 -0.005 0.000 1.105 164 V CA 2.344 64.626 62.300 -0.031 0.000 1.125 164 V CB -0.207 31.615 31.823 -0.001 0.000 0.730 164 V HN 2.434 nan 8.190 nan 0.000 0.479 165 A N 0.562 123.376 122.820 -0.010 0.000 3.257 165 A HA 0.727 5.050 4.320 0.006 0.000 0.308 165 A C 1.497 179.054 177.584 -0.045 0.000 1.175 165 A CA 0.274 52.306 52.037 -0.008 0.000 1.018 165 A CB -0.224 18.785 19.000 0.015 0.000 1.088 165 A HN 0.502 nan 8.150 nan 0.000 0.567 166 G N 1.426 110.199 108.800 -0.045 0.000 2.434 166 G HA2 -0.085 3.879 3.960 0.006 0.000 0.214 166 G HA3 -0.085 3.879 3.960 0.006 0.000 0.214 166 G C -0.378 174.477 174.900 -0.076 0.000 1.202 166 G CA 1.038 46.098 45.100 -0.066 0.000 0.788 166 G HN 0.469 nan 8.290 nan 0.000 0.539 167 P HA -0.088 nan 4.420 nan 0.000 0.216 167 P C 0.845 178.119 177.300 -0.043 0.000 1.154 167 P CA 1.652 64.736 63.100 -0.026 0.000 0.865 167 P CB -0.099 31.608 31.700 0.012 0.000 0.789 168 D N -0.416 119.957 120.400 -0.046 0.000 2.095 168 D HA -0.160 4.483 4.640 0.006 0.000 0.192 168 D C 1.921 178.149 176.300 -0.120 0.000 0.990 168 D CA 1.211 55.179 54.000 -0.053 0.000 0.836 168 D CB -0.855 39.927 40.800 -0.031 0.000 0.979 168 D HN 0.157 nan 8.370 nan 0.000 0.447 169 I N 0.831 121.274 120.570 -0.213 0.000 2.264 169 I HA -0.257 3.917 4.170 0.006 0.000 0.248 169 I C 2.474 178.245 176.117 -0.577 0.000 1.111 169 I CA 1.023 62.040 61.300 -0.472 0.000 1.382 169 I CB -0.860 36.743 38.000 -0.662 0.000 1.060 169 I HN -0.032 nan 8.210 nan 0.000 0.418 170 A N 1.750 124.371 122.820 -0.330 0.000 1.869 170 A HA -0.192 4.132 4.320 0.006 0.000 0.218 170 A C 2.542 180.100 177.584 -0.044 0.000 1.203 170 A CA 2.524 54.468 52.037 -0.153 0.000 0.638 170 A CB -1.233 17.728 19.000 -0.065 0.000 0.831 170 A HN 0.250 nan 8.150 nan 0.000 0.450 171 V N -0.054 119.834 119.914 -0.044 0.000 2.252 171 V HA -0.373 3.751 4.120 0.006 0.000 0.249 171 V C 2.624 178.743 176.094 0.041 0.000 1.056 171 V CA 2.494 64.788 62.300 -0.011 0.000 1.022 171 V CB -0.675 31.132 31.823 -0.026 0.000 0.641 171 V HN 0.700 nan 8.190 nan 0.000 0.445 172 M N -1.051 118.565 119.600 0.027 0.000 2.108 172 M HA -0.186 4.298 4.480 0.006 0.000 0.261 172 M C 2.210 178.689 176.300 0.300 0.000 1.066 172 M CA 2.200 57.573 55.300 0.121 0.000 1.107 172 M CB -0.414 32.240 32.600 0.090 0.000 1.356 172 M HN 0.334 nan 8.290 nan 0.000 0.406 173 F N 0.717 120.717 119.950 0.083 0.000 2.126 173 F HA -0.136 4.394 4.527 0.006 0.000 0.299 173 F C 2.818 178.697 175.800 0.131 0.000 1.096 173 F CA 1.131 59.190 58.000 0.097 0.000 1.255 173 F CB -1.869 37.164 39.000 0.054 0.000 0.997 173 F HN 0.242 nan 8.300 nan 0.000 0.479 174 A N 0.097 123.113 122.820 0.327 0.000 1.865 174 A HA -0.227 4.097 4.320 0.006 0.000 0.217 174 A C 2.168 179.941 177.584 0.314 0.000 1.191 174 A CA 1.873 54.106 52.037 0.327 0.000 0.623 174 A CB -0.910 18.256 19.000 0.276 0.000 0.826 174 A HN 0.429 nan 8.150 nan 0.000 0.444 175 E N -0.263 120.065 120.200 0.214 0.000 2.038 175 E HA -0.182 4.171 4.350 0.006 0.000 0.195 175 E C 1.560 178.271 176.600 0.186 0.000 1.000 175 E CA 1.299 57.806 56.400 0.177 0.000 0.803 175 E CB -0.167 29.608 29.700 0.124 0.000 0.750 175 E HN 0.506 nan 8.360 nan 0.000 0.448 176 E N -0.533 119.795 120.200 0.214 0.000 2.502 176 E HA 0.025 4.378 4.350 0.006 0.000 0.194 176 E C 0.918 177.638 176.600 0.201 0.000 1.062 176 E CA 0.645 57.173 56.400 0.212 0.000 0.867 176 E CB 0.602 30.454 29.700 0.252 0.000 0.888 176 E HN 0.441 nan 8.360 nan 0.000 0.510 177 G N 1.007 109.922 108.800 0.192 0.000 2.136 177 G HA2 -0.287 3.676 3.960 0.006 0.000 0.242 177 G HA3 -0.287 3.676 3.960 0.006 0.000 0.242 177 G C 0.444 175.438 174.900 0.156 0.000 0.989 177 G CA 0.270 45.462 45.100 0.152 0.000 0.682 177 G HN 0.183 nan 8.290 nan 0.000 0.522 178 V N 0.366 120.375 119.914 0.158 0.000 2.617 178 V HA 0.071 4.195 4.120 0.006 0.000 0.304 178 V C 1.545 177.687 176.094 0.080 0.000 1.040 178 V CA 1.277 63.622 62.300 0.075 0.000 1.149 178 V CB 0.791 32.445 31.823 -0.282 0.000 0.914 178 V HN 0.504 nan 8.190 nan 0.000 0.487 179 N N 2.312 121.075 118.700 0.105 0.000 2.415 179 N HA 0.270 5.014 4.740 0.006 0.000 0.176 179 N C 0.541 176.221 175.510 0.284 0.000 1.042 179 N CA 0.725 53.859 53.050 0.142 0.000 0.902 179 N CB 0.302 38.815 38.487 0.042 0.000 0.986 179 N HN 0.828 nan 8.380 nan 0.000 0.447 180 G N -1.159 107.783 108.800 0.237 0.000 2.698 180 G HA2 0.771 4.735 3.960 0.006 0.000 0.293 180 G HA3 0.771 4.735 3.960 0.006 0.000 0.293 180 G C -1.965 172.722 174.900 -0.355 0.000 1.437 180 G CA -0.316 44.912 45.100 0.213 0.000 0.852 180 G HN 0.200 nan 8.290 nan 0.000 0.499 181 A N 0.124 122.660 122.820 -0.472 0.000 2.594 181 A HA 0.738 5.061 4.320 0.006 0.000 0.295 181 A C -1.329 176.081 177.584 -0.290 0.000 1.071 181 A CA -0.782 50.836 52.037 -0.698 0.000 0.685 181 A CB 1.038 19.949 19.000 -0.148 0.000 1.285 181 A HN 0.845 nan 8.150 nan 0.000 0.405 182 H N 1.254 120.149 119.070 -0.292 0.000 2.683 182 H HA 0.568 5.128 4.556 0.006 0.000 0.339 182 H C -0.071 175.251 175.328 -0.009 0.000 1.081 182 H CA 1.068 57.090 56.048 -0.043 0.000 1.432 182 H CB 0.834 30.620 29.762 0.040 0.000 1.462 182 H HN 0.463 nan 8.280 nan 0.000 0.557 183 Q N 2.981 122.837 119.800 0.093 0.000 2.418 183 Q HA 0.166 4.510 4.340 0.006 0.000 0.240 183 Q C -2.010 174.021 176.000 0.050 0.000 0.859 183 Q CA -0.588 55.257 55.803 0.070 0.000 0.916 183 Q CB 1.584 30.347 28.738 0.041 0.000 1.448 183 Q HN 0.787 nan 8.270 nan 0.000 0.439 184 D N 5.564 125.993 120.400 0.048 0.000 2.470 184 D HA 0.293 4.937 4.640 0.006 0.000 0.233 184 D C -2.036 174.235 176.300 -0.049 0.000 1.372 184 D CA -1.390 52.619 54.000 0.015 0.000 0.994 184 D CB 1.855 42.703 40.800 0.079 0.000 1.377 184 D HN 0.213 nan 8.370 nan 0.000 0.586 185 P HA -0.112 nan 4.420 nan 0.000 0.230 185 P C 1.099 178.177 177.300 -0.370 0.000 1.158 185 P CA 0.744 63.569 63.100 -0.457 0.000 0.769 185 P CB 0.525 31.607 31.700 -1.031 0.000 0.807 186 Q N -1.184 118.486 119.800 -0.216 0.000 2.181 186 Q HA -0.212 4.132 4.340 0.006 0.000 0.205 186 Q C 2.164 178.180 176.000 0.027 0.000 0.980 186 Q CA 1.365 57.150 55.803 -0.031 0.000 0.862 186 Q CB -0.701 28.026 28.738 -0.019 0.000 0.905 186 Q HN 0.321 nan 8.270 nan 0.000 0.429 187 Y N 1.873 122.198 120.300 0.042 0.000 2.114 187 Y HA -0.251 4.303 4.550 0.006 0.000 0.284 187 Y C 1.854 177.828 175.900 0.123 0.000 1.143 187 Y CA 1.671 59.908 58.100 0.229 0.000 1.135 187 Y CB -0.300 38.273 38.460 0.188 0.000 0.980 187 Y HN 0.119 nan 8.280 nan 0.000 0.499 188 N N -0.051 118.713 118.700 0.107 0.000 2.132 188 N HA -0.222 4.521 4.740 0.006 0.000 0.191 188 N C 1.774 177.197 175.510 -0.146 0.000 1.015 188 N CA 2.050 55.072 53.050 -0.047 0.000 0.864 188 N CB -0.288 38.178 38.487 -0.034 0.000 1.006 188 N HN 0.314 nan 8.380 nan 0.000 0.430 189 V N 1.866 121.702 119.914 -0.131 0.000 2.256 189 V HA -0.144 3.979 4.120 0.006 0.000 0.240 189 V C 2.509 178.449 176.094 -0.256 0.000 1.036 189 V CA 1.146 63.368 62.300 -0.131 0.000 1.008 189 V CB -0.668 31.149 31.823 -0.010 0.000 0.648 189 V HN 0.175 nan 8.190 nan 0.000 0.453 190 L N -1.074 119.890 121.223 -0.432 0.000 2.042 190 L HA -0.204 4.139 4.340 0.006 0.000 0.210 190 L C 2.394 178.860 176.870 -0.675 0.000 1.076 190 L CA 2.049 56.465 54.840 -0.707 0.000 0.749 190 L CB -0.537 40.737 42.059 -1.308 0.000 0.893 190 L HN 0.411 nan 8.230 nan 0.000 0.432 191 Y N -2.545 117.546 120.300 -0.349 0.000 2.444 191 Y HA 0.206 4.760 4.550 0.006 0.000 0.252 191 Y C 1.856 177.553 175.900 -0.338 0.000 1.091 191 Y CA -0.315 57.549 58.100 -0.393 0.000 1.276 191 Y CB 0.311 38.411 38.460 -0.600 0.000 1.170 191 Y HN -0.107 nan 8.280 nan 0.000 0.517 192 R N 0.539 120.909 120.500 -0.216 0.000 2.543 192 R HA 0.138 4.482 4.340 0.006 0.000 0.323 192 R C -0.022 176.263 176.300 -0.026 0.000 1.002 192 R CA -0.337 55.709 56.100 -0.090 0.000 1.106 192 R CB -0.692 29.511 30.300 -0.161 0.000 1.280 192 R HN 0.189 nan 8.270 nan 0.000 0.549 193 N N 1.402 120.060 118.700 -0.070 0.000 2.701 193 N HA -0.224 4.520 4.740 0.006 0.000 0.257 193 N C -0.682 174.812 175.510 -0.028 0.000 0.969 193 N CA 0.427 53.446 53.050 -0.052 0.000 0.786 193 N CB -1.119 37.353 38.487 -0.025 0.000 0.917 193 N HN 0.334 nan 8.380 nan 0.000 0.541 194 I N 0.317 120.852 120.570 -0.060 0.000 2.581 194 I HA 0.046 4.219 4.170 0.006 0.000 0.288 194 I C 1.275 177.359 176.117 -0.054 0.000 1.047 194 I CA -0.598 60.671 61.300 -0.051 0.000 1.374 194 I CB 0.632 38.582 38.000 -0.083 0.000 1.423 194 I HN 0.277 nan 8.210 nan 0.000 0.549 195 N N 6.319 124.991 118.700 -0.048 0.000 2.412 195 N HA -0.043 4.701 4.740 0.006 0.000 0.254 195 N C 0.903 176.377 175.510 -0.061 0.000 1.232 195 N CA -0.010 52.997 53.050 -0.072 0.000 0.880 195 N CB 0.836 39.280 38.487 -0.071 0.000 1.076 195 N HN 0.727 nan 8.380 nan 0.000 0.458 196 M N 3.654 123.176 119.600 -0.130 0.000 2.319 196 M HA -0.018 4.466 4.480 0.006 0.000 0.265 196 M C 1.234 177.553 176.300 0.031 0.000 1.068 196 M CA 1.110 56.377 55.300 -0.056 0.000 1.118 196 M CB -0.043 32.419 32.600 -0.230 0.000 1.395 196 M HN 0.437 nan 8.290 nan 0.000 0.435 197 I N 0.623 121.104 120.570 -0.147 0.000 2.193 197 I HA -0.169 4.004 4.170 0.006 0.000 0.240 197 I C 2.796 179.003 176.117 0.149 0.000 1.084 197 I CA 1.288 62.628 61.300 0.067 0.000 1.365 197 I CB -0.686 37.305 38.000 -0.016 0.000 1.064 197 I HN 0.329 nan 8.210 nan 0.000 0.410 198 R N 1.601 122.133 120.500 0.054 0.000 2.096 198 R HA -0.215 4.129 4.340 0.006 0.000 0.240 198 R C 2.437 178.779 176.300 0.071 0.000 1.139 198 R CA 2.384 58.513 56.100 0.048 0.000 0.952 198 R CB -1.011 29.292 30.300 0.005 0.000 0.854 198 R HN 0.318 nan 8.270 nan 0.000 0.436 199 S N -1.134 114.606 115.700 0.066 0.000 2.359 199 S HA -0.118 4.355 4.470 0.006 0.000 0.224 199 S C 1.770 176.340 174.600 -0.049 0.000 1.035 199 S CA 1.401 59.595 58.200 -0.009 0.000 1.018 199 S CB -0.400 62.776 63.200 -0.040 0.000 0.876 199 S HN 0.444 nan 8.310 nan 0.000 0.448 200 F N 0.931 120.907 119.950 0.043 0.000 2.456 200 F HA 0.321 4.852 4.527 0.006 0.000 0.298 200 F C 1.936 177.798 175.800 0.103 0.000 1.104 200 F CA 0.450 58.465 58.000 0.025 0.000 1.435 200 F CB -0.130 38.885 39.000 0.025 0.000 1.078 200 F HN 0.223 nan 8.300 nan 0.000 0.546 201 I N -0.486 120.240 120.570 0.260 0.000 2.333 201 I HA -0.212 3.962 4.170 0.006 0.000 0.246 201 I C 1.777 177.958 176.117 0.106 0.000 1.106 201 I CA 0.951 62.362 61.300 0.186 0.000 1.411 201 I CB -0.359 37.739 38.000 0.164 0.000 1.082 201 I HN -0.050 nan 8.210 nan 0.000 0.420 202 D N 1.354 121.798 120.400 0.073 0.000 2.144 202 D HA -0.157 4.487 4.640 0.006 0.000 0.199 202 D C 2.252 178.551 176.300 -0.001 0.000 0.984 202 D CA 1.533 55.552 54.000 0.031 0.000 0.834 202 D CB -0.159 40.649 40.800 0.013 0.000 0.955 202 D HN 0.323 nan 8.370 nan 0.000 0.465 203 A N 0.206 123.026 122.820 -0.000 0.000 1.933 203 A HA -0.180 4.143 4.320 0.006 0.000 0.218 203 A C 2.487 180.054 177.584 -0.028 0.000 1.175 203 A CA 1.244 53.281 52.037 -0.001 0.000 0.628 203 A CB -0.920 18.063 19.000 -0.028 0.000 0.814 203 A HN 0.362 nan 8.150 nan 0.000 0.444 204 C N -0.900 118.338 119.300 -0.105 0.000 2.401 204 C HA -0.118 4.346 4.460 0.006 0.000 0.276 204 C C 2.675 177.410 174.990 -0.426 0.000 1.233 204 C CA 1.491 60.161 59.018 -0.579 0.000 1.753 204 C CB -1.134 25.939 27.740 -1.112 0.000 2.029 204 C HN 0.776 nan 8.230 nan 0.000 0.478 205 E N 1.388 121.477 120.200 -0.184 0.000 2.028 205 E HA -0.122 4.232 4.350 0.006 0.000 0.191 205 E C 2.248 178.818 176.600 -0.049 0.000 0.988 205 E CA 1.774 58.127 56.400 -0.079 0.000 0.799 205 E CB -0.246 29.430 29.700 -0.039 0.000 0.755 205 E HN 0.555 nan 8.360 nan 0.000 0.447 206 S N 0.663 116.336 115.700 -0.044 0.000 2.368 206 S HA -0.235 4.238 4.470 0.006 0.000 0.226 206 S C 1.824 176.418 174.600 -0.010 0.000 1.044 206 S CA 1.769 59.955 58.200 -0.024 0.000 1.062 206 S CB -0.367 62.816 63.200 -0.027 0.000 0.931 206 S HN 0.267 nan 8.310 nan 0.000 0.440 207 K N 0.454 120.833 120.400 -0.035 0.000 2.147 207 K HA -0.049 4.274 4.320 0.006 0.000 0.205 207 K C 2.296 178.895 176.600 -0.002 0.000 1.049 207 K CA 1.466 57.737 56.287 -0.027 0.000 0.936 207 K CB -0.419 32.037 32.500 -0.074 0.000 0.722 207 K HN 0.303 nan 8.250 nan 0.000 0.446 208 T N 1.571 116.119 114.554 -0.010 0.000 2.777 208 T HA -0.092 4.262 4.350 0.006 0.000 0.266 208 T C 1.892 176.668 174.700 0.125 0.000 1.040 208 T CA 1.077 63.218 62.100 0.068 0.000 1.141 208 T CB -0.166 68.763 68.868 0.101 0.000 0.868 208 T HN 0.086 nan 8.240 nan 0.000 0.444 209 I N 1.048 121.678 120.570 0.100 0.000 2.163 209 I HA -0.202 3.972 4.170 0.006 0.000 0.243 209 I C 2.493 178.752 176.117 0.237 0.000 1.085 209 I CA 1.482 62.868 61.300 0.144 0.000 1.347 209 I CB -0.375 37.669 38.000 0.072 0.000 1.044 209 I HN 0.237 nan 8.210 nan 0.000 0.408 210 M N -0.192 119.503 119.600 0.158 0.000 2.159 210 M HA -0.197 4.287 4.480 0.006 0.000 0.263 210 M C 2.490 178.875 176.300 0.142 0.000 1.063 210 M CA 1.801 57.191 55.300 0.149 0.000 1.110 210 M CB -0.605 32.049 32.600 0.089 0.000 1.374 210 M HN 0.349 nan 8.290 nan 0.000 0.411 211 A N -0.103 122.796 122.820 0.131 0.000 1.877 211 A HA -0.229 4.094 4.320 0.006 0.000 0.216 211 A C 1.893 179.565 177.584 0.146 0.000 1.186 211 A CA 1.600 53.705 52.037 0.113 0.000 0.620 211 A CB -1.290 17.771 19.000 0.102 0.000 0.822 211 A HN 0.785 nan 8.150 nan 0.000 0.443 212 W N 0.655 121.979 121.300 0.040 0.000 2.358 212 W HA -0.058 4.605 4.660 0.006 0.000 0.303 212 W C 2.008 178.554 176.519 0.045 0.000 1.208 212 W CA 1.960 59.331 57.345 0.044 0.000 1.274 212 W CB -0.040 29.449 29.460 0.049 0.000 1.138 212 W HN 0.299 nan 8.180 nan 0.000 0.515 213 A N 0.345 123.337 122.820 0.286 0.000 2.261 213 A HA 0.019 4.343 4.320 0.006 0.000 0.208 213 A C 0.610 178.168 177.584 -0.043 0.000 1.223 213 A CA 0.999 53.085 52.037 0.082 0.000 0.833 213 A CB -1.143 18.071 19.000 0.357 0.000 0.830 213 A HN 0.418 nan 8.150 nan 0.000 0.483 214 D N -1.284 119.078 120.400 -0.062 0.000 2.692 214 D HA -0.178 4.465 4.640 0.006 0.000 0.233 214 D C 0.001 176.320 176.300 0.032 0.000 1.172 214 D CA 0.993 54.979 54.000 -0.025 0.000 0.636 214 D CB -1.184 39.580 40.800 -0.059 0.000 1.028 214 D HN 0.576 nan 8.370 nan 0.000 0.419 215 M N 0.296 119.927 119.600 0.051 0.000 2.314 215 M HA 0.505 4.988 4.480 0.006 0.000 0.342 215 M C 0.649 176.931 176.300 -0.029 0.000 1.171 215 M CA -0.538 54.798 55.300 0.059 0.000 1.098 215 M CB 1.633 34.281 32.600 0.080 0.000 1.559 215 M HN 0.177 nan 8.290 nan 0.000 0.459 216 A N 2.699 125.439 122.820 -0.133 0.000 2.363 216 A HA 0.319 4.642 4.320 0.006 0.000 0.270 216 A C -0.602 176.829 177.584 -0.255 0.000 1.121 216 A CA -0.363 51.429 52.037 -0.408 0.000 0.800 216 A CB 0.540 18.778 19.000 -1.270 0.000 1.052 216 A HN 0.779 nan 8.150 nan 0.000 0.493 217 Q N 2.255 121.936 119.800 -0.197 0.000 2.331 217 Q HA 0.591 4.935 4.340 0.006 0.000 0.267 217 Q C -1.535 174.382 176.000 -0.138 0.000 1.006 217 Q CA -0.378 55.357 55.803 -0.114 0.000 0.818 217 Q CB 1.091 29.802 28.738 -0.044 0.000 1.276 217 Q HN 0.738 nan 8.270 nan 0.000 0.450 218 I N 3.718 124.192 120.570 -0.159 0.000 2.404 218 I HA 0.221 4.394 4.170 0.006 0.000 0.293 218 I C -0.119 175.883 176.117 -0.192 0.000 0.992 218 I CA -0.847 60.301 61.300 -0.253 0.000 1.149 218 I CB 1.690 39.397 38.000 -0.487 0.000 1.315 218 I HN 0.720 nan 8.210 nan 0.000 0.446 224 A N 0.964 123.903 122.820 0.199 0.000 1.969 224 A HA 0.002 4.325 4.320 0.006 0.000 0.218 224 A C 2.103 179.736 177.584 0.081 0.000 1.169 224 A CA 2.026 54.037 52.037 -0.043 0.000 0.635 224 A CB -0.660 17.911 19.000 -0.715 0.000 0.810 224 A HN 0.731 nan 8.150 nan 0.000 0.445 225 H N -0.121 118.940 119.070 -0.014 0.000 2.518 225 H HA -0.030 4.530 4.556 0.006 0.000 0.289 225 H C 1.247 176.584 175.328 0.016 0.000 1.051 225 H CA 1.121 57.194 56.048 0.041 0.000 1.280 225 H CB -0.860 28.955 29.762 0.089 0.000 1.380 225 H HN 0.376 nan 8.280 nan 0.000 0.566 226 N N 1.486 119.955 118.700 -0.385 0.000 2.258 226 N HA -0.098 4.646 4.740 0.006 0.000 0.187 226 N C 1.895 177.293 175.510 -0.185 0.000 1.012 226 N CA 1.480 54.275 53.050 -0.424 0.000 0.870 226 N CB -0.266 37.867 38.487 -0.589 0.000 0.977 226 N HN 0.612 nan 8.380 nan 0.000 0.434 227 A N 0.656 123.486 122.820 0.017 0.000 2.119 227 A HA -0.052 4.272 4.320 0.006 0.000 0.217 227 A C 1.886 179.490 177.584 0.033 0.000 1.153 227 A CA 0.794 52.894 52.037 0.105 0.000 0.692 227 A CB -0.193 18.901 19.000 0.156 0.000 0.799 227 A HN 0.225 nan 8.150 nan 0.000 0.458 228 N N 1.108 119.806 118.700 -0.003 0.000 2.080 228 N HA -0.059 4.685 4.740 0.006 0.000 0.189 228 N C 1.907 177.376 175.510 -0.069 0.000 1.036 228 N CA 1.727 54.770 53.050 -0.012 0.000 0.846 228 N CB -0.649 37.850 38.487 0.021 0.000 1.015 228 N HN 0.414 nan 8.380 nan 0.000 0.423 229 A N 0.618 123.378 122.820 -0.099 0.000 1.845 229 A HA -0.158 4.166 4.320 0.006 0.000 0.215 229 A C 2.232 179.764 177.584 -0.086 0.000 1.195 229 A CA 2.600 54.564 52.037 -0.122 0.000 0.616 229 A CB -1.547 17.370 19.000 -0.138 0.000 0.832 229 A HN 0.501 nan 8.150 nan 0.000 0.443 230 T N -2.029 112.497 114.554 -0.047 0.000 3.025 230 T HA 0.323 4.676 4.350 0.006 0.000 0.270 230 T C 0.653 175.365 174.700 0.019 0.000 1.126 230 T CA 0.807 62.916 62.100 0.016 0.000 1.105 230 T CB -0.569 68.376 68.868 0.128 0.000 0.884 230 T HN 0.810 nan 8.240 nan 0.000 0.522 231 A N 0.940 123.759 122.820 -0.002 0.000 2.330 231 A HA 0.668 4.991 4.320 0.006 0.000 0.327 231 A C 1.148 178.706 177.584 -0.044 0.000 1.155 231 A CA -1.030 51.001 52.037 -0.009 0.000 0.803 231 A CB 1.114 20.118 19.000 0.006 0.000 1.208 231 A HN 0.061 nan 8.150 nan 0.000 0.477 232 R N 1.417 121.888 120.500 -0.049 0.000 2.147 232 R HA -0.118 4.226 4.340 0.006 0.000 0.225 232 R C -0.318 175.951 176.300 -0.052 0.000 1.120 232 R CA 1.509 57.580 56.100 -0.048 0.000 0.891 232 R CB -0.698 29.571 30.300 -0.052 0.000 0.822 232 R HN 0.837 nan 8.270 nan 0.000 0.433 233 E N 0.666 120.741 120.200 -0.208 0.000 1.998 233 E HA 0.265 4.619 4.350 0.006 0.000 0.257 233 E C 0.595 176.923 176.600 -0.453 0.000 1.038 233 E CA 0.055 56.175 56.400 -0.467 0.000 0.869 233 E CB 1.187 30.177 29.700 -1.184 0.000 1.135 233 E HN 0.291 nan 8.360 nan 0.000 0.430 234 A N 3.199 126.078 122.820 0.100 0.000 2.009 234 A HA -0.234 4.090 4.320 0.006 0.000 0.222 234 A C 1.735 179.375 177.584 0.093 0.000 1.175 234 A CA 1.953 54.077 52.037 0.146 0.000 0.651 234 A CB -0.920 18.289 19.000 0.349 0.000 0.815 234 A HN 0.937 nan 8.150 nan 0.000 0.459 235 W N -0.404 120.912 121.300 0.026 0.000 2.465 235 W HA 0.045 4.708 4.660 0.006 0.000 0.268 235 W C 1.386 177.830 176.519 -0.125 0.000 1.242 235 W CA 0.968 58.278 57.345 -0.059 0.000 1.248 235 W CB -0.114 29.297 29.460 -0.081 0.000 1.118 235 W HN 0.142 nan 8.180 nan 0.000 0.587 236 K N 0.733 120.815 120.400 -0.531 0.000 2.486 236 K HA -0.002 4.321 4.320 0.006 0.000 0.194 236 K C 1.676 178.327 176.600 0.085 0.000 1.033 236 K CA 0.797 56.882 56.287 -0.337 0.000 1.004 236 K CB 0.187 32.434 32.500 -0.423 0.000 0.798 236 K HN 0.213 nan 8.250 nan 0.000 0.495 237 V N 0.755 120.676 119.914 0.011 0.000 3.649 237 V HA 0.007 4.131 4.120 0.006 0.000 0.275 237 V C 1.415 177.538 176.094 0.048 0.000 1.281 237 V CA 0.487 62.821 62.300 0.058 0.000 1.143 237 V CB -0.342 31.492 31.823 0.019 0.000 0.892 237 V HN 0.277 nan 8.190 nan 0.000 0.441 238 M N 0.832 120.452 119.600 0.034 0.000 2.117 238 M HA -0.059 4.425 4.480 0.006 0.000 0.262 238 M C -0.103 176.258 176.300 0.103 0.000 1.065 238 M CA 2.235 57.484 55.300 -0.085 0.000 1.114 238 M CB -1.611 30.921 32.600 -0.113 0.000 1.361 238 M HN 0.301 nan 8.290 nan 0.000 0.408 239 P HA -0.212 nan 4.420 nan 0.000 0.215 239 P C 1.144 178.424 177.300 -0.035 0.000 1.157 239 P CA 1.430 64.618 63.100 0.146 0.000 0.874 239 P CB -0.181 31.663 31.700 0.238 0.000 0.790 240 E N -0.408 119.763 120.200 -0.048 0.000 2.204 240 E HA -0.139 4.215 4.350 0.006 0.000 0.194 240 E C 1.869 178.416 176.600 -0.087 0.000 0.989 240 E CA 0.633 56.895 56.400 -0.230 0.000 0.824 240 E CB -0.558 29.142 29.700 0.000 0.000 0.756 240 E HN 0.152 nan 8.360 nan 0.000 0.477 241 L N 0.094 121.319 121.223 0.004 0.000 2.056 241 L HA -0.154 4.189 4.340 0.006 0.000 0.207 241 L C 2.630 179.573 176.870 0.122 0.000 1.078 241 L CA 1.076 55.933 54.840 0.027 0.000 0.749 241 L CB -0.276 41.840 42.059 0.094 0.000 0.901 241 L HN 0.309 nan 8.230 nan 0.000 0.433 242 M N -1.331 118.405 119.600 0.226 0.000 2.200 242 M HA -0.142 4.342 4.480 0.006 0.000 0.265 242 M C 2.255 178.691 176.300 0.226 0.000 1.066 242 M CA 1.115 56.608 55.300 0.321 0.000 1.127 242 M CB -0.356 32.441 32.600 0.328 0.000 1.379 242 M HN 0.060 nan 8.290 nan 0.000 0.420 243 V N 0.472 120.390 119.914 0.007 0.000 2.307 243 V HA -0.244 3.879 4.120 0.006 0.000 0.245 243 V C 2.347 178.477 176.094 0.059 0.000 1.045 243 V CA 1.721 63.987 62.300 -0.057 0.000 1.024 243 V CB -0.755 30.802 31.823 -0.444 0.000 0.651 243 V HN 0.508 nan 8.190 nan 0.000 0.449 244 Q N -1.116 118.705 119.800 0.035 0.000 2.119 244 Q HA -0.193 4.151 4.340 0.006 0.000 0.201 244 Q C 2.308 178.304 176.000 -0.007 0.000 0.972 244 Q CA 1.390 57.197 55.803 0.007 0.000 0.847 244 Q CB -0.203 28.513 28.738 -0.036 0.000 0.903 244 Q HN 0.702 nan 8.270 nan 0.000 0.433 245 H N -0.181 118.917 119.070 0.046 0.000 2.389 245 H HA -0.030 4.529 4.556 0.006 0.000 0.299 245 H C 1.973 177.380 175.328 0.132 0.000 1.081 245 H CA 1.367 57.380 56.048 -0.059 0.000 1.345 245 H CB -0.053 29.469 29.762 -0.399 0.000 1.393 245 H HN 0.295 nan 8.280 nan 0.000 0.520 246 A N 1.137 124.223 122.820 0.444 0.000 1.855 246 A HA -0.075 4.249 4.320 0.006 0.000 0.215 246 A C 2.724 180.400 177.584 0.152 0.000 1.191 246 A CA 0.913 53.155 52.037 0.343 0.000 0.613 246 A CB -0.854 18.264 19.000 0.196 0.000 0.829 246 A HN 0.261 nan 8.150 nan 0.000 0.442 247 L N -0.324 120.957 121.223 0.097 0.000 2.012 247 L HA -0.230 4.114 4.340 0.006 0.000 0.210 247 L C 2.558 179.461 176.870 0.056 0.000 1.073 247 L CA 1.922 56.776 54.840 0.024 0.000 0.748 247 L CB -0.752 41.254 42.059 -0.088 0.000 0.891 247 L HN 0.541 nan 8.230 nan 0.000 0.431 248 N N -0.250 118.486 118.700 0.058 0.000 2.188 248 N HA -0.140 4.604 4.740 0.006 0.000 0.184 248 N C 1.872 177.480 175.510 0.164 0.000 1.018 248 N CA 1.535 54.642 53.050 0.095 0.000 0.858 248 N CB 0.071 38.593 38.487 0.060 0.000 0.989 248 N HN 0.118 nan 8.380 nan 0.000 0.426 249 S N 0.065 115.835 115.700 0.117 0.000 2.345 249 S HA -0.070 4.404 4.470 0.006 0.000 0.220 249 S C 1.824 176.522 174.600 0.163 0.000 1.031 249 S CA 0.916 59.155 58.200 0.065 0.000 0.996 249 S CB -0.362 62.735 63.200 -0.172 0.000 0.882 249 S HN 0.399 nan 8.310 nan 0.000 0.445 250 I N 1.138 121.800 120.570 0.154 0.000 2.315 250 I HA -0.066 4.107 4.170 0.006 0.000 0.248 250 I C 1.835 178.060 176.117 0.180 0.000 1.117 250 I CA 0.960 62.364 61.300 0.173 0.000 1.404 250 I CB -0.449 37.622 38.000 0.117 0.000 1.071 250 I HN 0.269 nan 8.210 nan 0.000 0.419 251 F N 0.576 120.552 119.950 0.042 0.000 2.171 251 F HA -0.216 4.315 4.527 0.006 0.000 0.300 251 F C 2.486 178.301 175.800 0.024 0.000 1.090 251 F CA 1.903 59.919 58.000 0.026 0.000 1.293 251 F CB -0.440 38.572 39.000 0.021 0.000 1.013 251 F HN 0.027 nan 8.300 nan 0.000 0.486 252 S N 0.370 116.137 115.700 0.112 0.000 2.428 252 S HA -0.110 4.364 4.470 0.006 0.000 0.230 252 S C 1.779 176.372 174.600 -0.012 0.000 1.014 252 S CA 1.043 59.248 58.200 0.008 0.000 0.957 252 S CB -0.393 62.870 63.200 0.104 0.000 0.784 252 S HN 0.382 nan 8.310 nan 0.000 0.499 253 L N 1.889 123.146 121.223 0.057 0.000 2.068 253 L HA 0.094 4.438 4.340 0.006 0.000 0.204 253 L C 1.982 178.856 176.870 0.006 0.000 1.076 253 L CA 1.636 56.512 54.840 0.060 0.000 0.753 253 L CB -0.404 41.729 42.059 0.124 0.000 0.910 253 L HN -0.049 nan 8.230 nan 0.000 0.439 254 K N -0.523 119.868 120.400 -0.015 0.000 2.103 254 K HA -0.093 4.231 4.320 0.006 0.000 0.207 254 K C 2.084 178.666 176.600 -0.030 0.000 1.048 254 K CA 1.486 57.761 56.287 -0.019 0.000 0.930 254 K CB -0.810 31.677 32.500 -0.021 0.000 0.716 254 K HN 0.283 nan 8.250 nan 0.000 0.444 255 V N -0.094 119.735 119.914 -0.142 0.000 2.515 255 V HA -0.098 4.025 4.120 0.006 0.000 0.250 255 V C 1.476 177.583 176.094 0.023 0.000 1.058 255 V CA 1.758 63.993 62.300 -0.108 0.000 1.064 255 V CB -0.358 31.224 31.823 -0.401 0.000 0.675 255 V HN 0.642 nan 8.190 nan 0.000 0.461 256 G N -1.076 107.723 108.800 -0.001 0.000 2.161 256 G HA2 -0.144 3.820 3.960 0.006 0.000 0.140 256 G HA3 -0.144 3.820 3.960 0.006 0.000 0.140 256 G C -0.090 174.826 174.900 0.028 0.000 1.040 256 G CA -0.212 44.907 45.100 0.031 0.000 0.735 256 G HN 0.279 nan 8.290 nan 0.000 0.496 257 M N 0.996 120.606 119.600 0.017 0.000 2.242 257 M HA 0.361 4.845 4.480 0.006 0.000 0.344 257 M C 0.775 177.089 176.300 0.023 0.000 1.140 257 M CA 0.102 55.418 55.300 0.027 0.000 1.160 257 M CB 0.610 33.230 32.600 0.033 0.000 1.491 257 M HN 0.066 nan 8.290 nan 0.000 0.459 258 K N 2.200 122.611 120.400 0.018 0.000 2.350 258 K HA 0.014 4.338 4.320 0.006 0.000 0.279 258 K C 0.695 177.288 176.600 -0.011 0.000 1.027 258 K CA -0.048 56.239 56.287 -0.001 0.000 0.969 258 K CB 0.678 33.184 32.500 0.009 0.000 0.954 258 K HN 0.538 nan 8.250 nan 0.000 0.474 259 K N 1.414 121.765 120.400 -0.082 0.000 2.127 259 K HA -0.205 4.118 4.320 0.006 0.000 0.208 259 K C 1.513 178.058 176.600 -0.092 0.000 1.047 259 K CA 2.094 58.264 56.287 -0.195 0.000 0.927 259 K CB -0.003 32.234 32.500 -0.438 0.000 0.716 259 K HN 0.677 nan 8.250 nan 0.000 0.450 260 S N -0.059 115.607 115.700 -0.057 0.000 2.603 260 S HA 0.009 4.482 4.470 0.006 0.000 0.229 260 S C 1.023 175.683 174.600 0.101 0.000 0.972 260 S CA 0.563 58.760 58.200 -0.005 0.000 0.935 260 S CB 0.039 63.235 63.200 -0.008 0.000 0.769 260 S HN 0.263 nan 8.310 nan 0.000 0.536 261 N N 0.552 119.290 118.700 0.062 0.000 2.171 261 N HA 0.395 5.139 4.740 0.006 0.000 0.212 261 N C -0.565 174.938 175.510 -0.011 0.000 1.184 261 N CA -0.062 52.998 53.050 0.018 0.000 0.888 261 N CB 0.406 38.890 38.487 -0.004 0.000 1.038 261 N HN 0.450 nan 8.380 nan 0.000 0.517 262 I N 1.135 121.747 120.570 0.069 0.000 2.312 262 I HA 0.228 4.402 4.170 0.006 0.000 0.291 262 I C -0.415 175.761 176.117 0.098 0.000 1.031 262 I CA -0.350 61.022 61.300 0.121 0.000 1.293 262 I CB 0.795 38.980 38.000 0.308 0.000 1.403 262 I HN -0.124 nan 8.210 nan 0.000 0.484 263 C N 7.042 126.331 119.300 -0.018 0.000 2.369 263 C HA 0.536 5.000 4.460 0.006 0.000 0.322 263 C C -0.072 174.838 174.990 -0.133 0.000 1.258 263 C CA -0.829 58.143 59.018 -0.078 0.000 1.487 263 C CB 1.026 28.683 27.740 -0.138 0.000 2.165 263 C HN 0.479 nan 8.230 nan 0.000 0.483 264 L N 2.505 123.602 121.223 -0.210 0.000 2.290 264 L HA 0.293 4.637 4.340 0.006 0.000 0.284 264 L C 0.904 177.633 176.870 -0.236 0.000 1.078 264 L CA 0.612 55.263 54.840 -0.314 0.000 0.815 264 L CB 0.805 42.386 42.059 -0.796 0.000 1.162 264 L HN 0.686 nan 8.230 nan 0.000 0.435 265 S N 1.615 117.232 115.700 -0.138 0.000 2.519 265 S HA 0.087 4.561 4.470 0.006 0.000 0.320 265 S C 0.306 174.864 174.600 -0.071 0.000 1.179 265 S CA -0.054 57.977 58.200 -0.280 0.000 1.173 265 S CB -0.433 62.334 63.200 -0.722 0.000 1.224 265 S HN 0.619 nan 8.310 nan 0.000 0.542 266 T N 5.264 119.768 114.554 -0.083 0.000 2.893 266 T HA 0.442 4.795 4.350 0.006 0.000 0.324 266 T C -0.433 174.323 174.700 0.093 0.000 1.082 266 T CA -0.562 61.565 62.100 0.045 0.000 0.983 266 T CB 0.095 68.903 68.868 -0.099 0.000 1.005 266 T HN 0.221 nan 8.240 nan 0.000 0.475 267 V N 8.384 128.406 119.914 0.180 0.000 2.465 267 V HA 0.412 4.535 4.120 0.006 0.000 0.279 267 V C -2.048 174.175 176.094 0.215 0.000 1.045 267 V CA -2.111 60.294 62.300 0.175 0.000 0.938 267 V CB 1.222 33.163 31.823 0.197 0.000 0.986 267 V HN 0.712 nan 8.190 nan 0.000 0.467 268 P HA 0.192 nan 4.420 nan 0.000 0.266 268 P C -2.231 175.187 177.300 0.196 0.000 1.215 268 P CA -1.177 62.044 63.100 0.202 0.000 0.763 268 P CB 0.360 32.155 31.700 0.159 0.000 0.806 269 P HA -0.090 nan 4.420 nan 0.000 0.215 269 P C 0.520 178.007 177.300 0.312 0.000 1.157 269 P CA 1.459 64.685 63.100 0.209 0.000 0.859 269 P CB -0.105 31.683 31.700 0.146 0.000 0.786 270 T N -2.851 111.846 114.554 0.239 0.000 2.943 270 T HA 0.754 5.108 4.350 0.006 0.000 0.284 270 T C -0.335 174.408 174.700 0.072 0.000 1.015 270 T CA -0.848 61.343 62.100 0.151 0.000 1.042 270 T CB 1.705 70.583 68.868 0.017 0.000 1.055 270 T HN 0.063 nan 8.240 nan 0.000 0.500 271 A N 2.182 124.955 122.820 -0.078 0.000 2.435 271 A HA 0.905 5.228 4.320 0.006 0.000 0.296 271 A C -2.939 174.559 177.584 -0.144 0.000 1.147 271 A CA -2.234 49.777 52.037 -0.043 0.000 0.775 271 A CB 0.756 19.790 19.000 0.057 0.000 1.340 271 A HN 0.696 nan 8.150 nan 0.000 0.427 272 P HA 0.250 nan 4.420 nan 0.000 0.274 272 P C -1.850 175.380 177.300 -0.118 0.000 1.231 272 P CA -0.911 62.126 63.100 -0.106 0.000 0.790 272 P CB 0.139 31.801 31.700 -0.065 0.000 0.951 273 P HA 0.037 nan 4.420 nan 0.000 0.242 273 P C 0.144 177.346 177.300 -0.163 0.000 1.197 273 P CA 0.393 63.420 63.100 -0.122 0.000 0.765 273 P CB -0.056 31.582 31.700 -0.104 0.000 0.936 274 A N 2.057 124.746 122.820 -0.220 0.000 2.406 274 A HA 0.377 4.701 4.320 0.006 0.000 0.243 274 A C -2.099 175.372 177.584 -0.189 0.000 1.082 274 A CA -1.149 50.727 52.037 -0.269 0.000 0.786 274 A CB -0.679 18.094 19.000 -0.378 0.000 1.029 274 A HN 0.002 nan 8.150 nan 0.000 0.495 275 P HA 0.130 nan 4.420 nan 0.000 0.244 275 P C 0.657 177.924 177.300 -0.055 0.000 1.769 275 P CA 0.113 63.143 63.100 -0.116 0.000 1.102 275 P CB 0.151 31.758 31.700 -0.154 0.000 1.937 276 S N 1.919 117.591 115.700 -0.047 0.000 2.368 276 S HA -0.149 4.324 4.470 0.006 0.000 0.224 276 S C 1.818 176.449 174.600 0.051 0.000 1.029 276 S CA 0.826 59.019 58.200 -0.012 0.000 0.988 276 S CB -0.763 62.430 63.200 -0.010 0.000 0.838 276 S HN 0.091 nan 8.310 nan 0.000 0.462 277 M N 0.451 120.089 119.600 0.063 0.000 2.108 277 M HA -0.059 4.424 4.480 0.006 0.000 0.261 277 M C 2.160 178.527 176.300 0.112 0.000 1.066 277 M CA 1.610 56.960 55.300 0.083 0.000 1.107 277 M CB -1.387 31.259 32.600 0.077 0.000 1.356 277 M HN 0.446 nan 8.290 nan 0.000 0.406 278 Y N 0.650 120.944 120.300 -0.009 0.000 2.293 278 Y HA -0.101 4.453 4.550 0.006 0.000 0.291 278 Y C 2.172 178.074 175.900 0.005 0.000 1.137 278 Y CA 1.270 59.366 58.100 -0.007 0.000 1.202 278 Y CB -0.028 38.413 38.460 -0.031 0.000 0.990 278 Y HN 0.078 nan 8.280 nan 0.000 0.537 279 L N -0.849 120.458 121.223 0.141 0.000 2.127 279 L HA -0.113 4.231 4.340 0.006 0.000 0.203 279 L C 1.665 178.601 176.870 0.110 0.000 1.080 279 L CA 1.092 55.984 54.840 0.087 0.000 0.768 279 L CB -0.266 41.797 42.059 0.006 0.000 0.924 279 L HN 0.084 nan 8.230 nan 0.000 0.444 280 D N -0.349 120.122 120.400 0.118 0.000 2.216 280 D HA -0.101 4.543 4.640 0.006 0.000 0.208 280 D C 2.014 178.413 176.300 0.166 0.000 0.960 280 D CA 0.601 54.705 54.000 0.174 0.000 0.861 280 D CB -0.080 40.819 40.800 0.165 0.000 0.985 280 D HN 0.046 nan 8.370 nan 0.000 0.493 281 L N 1.157 122.432 121.223 0.088 0.000 2.042 281 L HA -0.082 4.262 4.340 0.006 0.000 0.210 281 L C -0.962 175.929 176.870 0.035 0.000 1.076 281 L CA 1.926 56.795 54.840 0.048 0.000 0.749 281 L CB -1.192 40.874 42.059 0.013 0.000 0.893 281 L HN -0.028 nan 8.230 nan 0.000 0.432 282 P HA -0.230 nan 4.420 nan 0.000 0.216 282 P C 1.165 178.527 177.300 0.104 0.000 1.150 282 P CA 1.467 64.587 63.100 0.033 0.000 0.837 282 P CB -0.229 31.479 31.700 0.013 0.000 0.786 283 Y N 0.925 121.255 120.300 0.050 0.000 2.133 283 Y HA -0.134 4.419 4.550 0.006 0.000 0.287 283 Y C 2.361 178.295 175.900 0.057 0.000 1.134 283 Y CA 1.653 59.799 58.100 0.077 0.000 1.133 283 Y CB -1.170 37.353 38.460 0.105 0.000 0.987 283 Y HN -0.121 nan 8.280 nan 0.000 0.502 284 A N -0.710 122.042 122.820 -0.113 0.000 2.076 284 A HA -0.147 4.177 4.320 0.006 0.000 0.220 284 A C 2.302 179.792 177.584 -0.156 0.000 1.160 284 A CA 1.952 53.872 52.037 -0.195 0.000 0.653 284 A CB -1.220 17.753 19.000 -0.044 0.000 0.801 284 A HN 0.403 nan 8.150 nan 0.000 0.455 285 V N -1.067 118.793 119.914 -0.089 0.000 2.500 285 V HA -0.052 4.071 4.120 0.006 0.000 0.243 285 V C 2.930 178.993 176.094 -0.053 0.000 1.039 285 V CA 1.491 63.759 62.300 -0.054 0.000 1.053 285 V CB -0.587 31.222 31.823 -0.024 0.000 0.695 285 V HN 0.597 nan 8.190 nan 0.000 0.463 286 A N -0.082 122.706 122.820 -0.053 0.000 1.855 286 A HA -0.169 4.155 4.320 0.006 0.000 0.215 286 A C 2.113 179.681 177.584 -0.026 0.000 1.191 286 A CA 1.926 53.956 52.037 -0.011 0.000 0.613 286 A CB -0.697 18.334 19.000 0.052 0.000 0.829 286 A HN 0.408 nan 8.150 nan 0.000 0.442 287 L N 0.080 121.197 121.223 -0.177 0.000 2.043 287 L HA -0.161 4.183 4.340 0.006 0.000 0.212 287 L C 2.367 179.231 176.870 -0.010 0.000 1.075 287 L CA 2.028 56.775 54.840 -0.155 0.000 0.752 287 L CB -0.544 41.169 42.059 -0.577 0.000 0.891 287 L HN 0.365 nan 8.230 nan 0.000 0.432 288 R N -0.970 119.482 120.500 -0.080 0.000 2.280 288 R HA -0.075 4.269 4.340 0.006 0.000 0.207 288 R C 1.973 178.296 176.300 0.039 0.000 1.043 288 R CA 0.924 57.012 56.100 -0.020 0.000 1.006 288 R CB -0.057 30.207 30.300 -0.060 0.000 0.885 288 R HN 0.514 nan 8.270 nan 0.000 0.467 289 E N -0.049 120.174 120.200 0.037 0.000 2.102 289 E HA -0.049 4.304 4.350 0.006 0.000 0.190 289 E C 1.641 178.268 176.600 0.045 0.000 0.971 289 E CA 0.512 56.931 56.400 0.032 0.000 0.821 289 E CB 0.179 29.889 29.700 0.017 0.000 0.777 289 E HN 0.045 nan 8.360 nan 0.000 0.460 290 M N -0.508 119.137 119.600 0.074 0.000 2.296 290 M HA -0.031 4.453 4.480 0.006 0.000 0.265 290 M C 0.254 176.487 176.300 -0.111 0.000 1.064 290 M CA 1.394 56.694 55.300 -0.000 0.000 1.109 290 M CB 0.328 32.948 32.600 0.033 0.000 1.396 290 M HN -0.017 nan 8.290 nan 0.000 0.430 291 F N -0.027 119.930 119.950 0.011 0.000 2.925 291 F HA 0.276 4.806 4.527 0.006 0.000 0.302 291 F C 0.344 176.241 175.800 0.162 0.000 1.189 291 F CA -0.719 57.340 58.000 0.098 0.000 1.346 291 F CB -0.348 38.622 39.000 -0.051 0.000 0.954 291 F HN -0.005 nan 8.300 nan 0.000 0.506 292 E N 0.514 120.819 120.200 0.175 0.000 2.480 292 E HA 0.278 4.631 4.350 0.006 0.000 0.258 292 E C 1.295 177.926 176.600 0.052 0.000 0.984 292 E CA 1.282 57.734 56.400 0.087 0.000 0.930 292 E CB 0.321 30.036 29.700 0.025 0.000 0.936 292 E HN 0.613 nan 8.360 nan 0.000 0.466 293 G N 3.084 111.879 108.800 -0.008 0.000 2.254 293 G HA2 -0.287 3.676 3.960 0.006 0.000 0.225 293 G HA3 -0.287 3.676 3.960 0.006 0.000 0.225 293 G C -0.383 174.407 174.900 -0.183 0.000 1.003 293 G CA 0.099 45.120 45.100 -0.131 0.000 0.622 293 G HN 0.528 nan 8.290 nan 0.000 0.507 294 Y N 1.634 121.941 120.300 0.011 0.000 2.374 294 Y HA 0.733 5.287 4.550 0.006 0.000 0.322 294 Y C 1.260 177.127 175.900 -0.055 0.000 1.275 294 Y CA -0.823 57.282 58.100 0.008 0.000 1.307 294 Y CB 0.563 39.079 38.460 0.093 0.000 1.282 294 Y HN 0.002 nan 8.280 nan 0.000 0.509 295 R N 1.560 122.119 120.500 0.097 0.000 2.531 295 R HA 0.319 4.662 4.340 0.006 0.000 0.273 295 R C -0.793 175.478 176.300 -0.048 0.000 1.070 295 R CA -0.365 55.721 56.100 -0.024 0.000 1.112 295 R CB 0.503 30.797 30.300 -0.010 0.000 1.049 295 R HN 0.581 nan 8.270 nan 0.000 0.508 296 M N 2.567 122.119 119.600 -0.079 0.000 2.043 296 M HA 0.241 4.725 4.480 0.006 0.000 0.322 296 M C 0.170 176.424 176.300 -0.077 0.000 0.962 296 M CA -0.474 54.759 55.300 -0.111 0.000 0.927 296 M CB 1.098 33.633 32.600 -0.108 0.000 1.466 296 M HN 0.214 nan 8.290 nan 0.000 0.412 297 R N 2.831 123.271 120.500 -0.100 0.000 2.391 297 R HA 0.554 4.897 4.340 0.006 0.000 0.310 297 R C -0.768 175.487 176.300 -0.075 0.000 1.174 297 R CA 0.003 56.062 56.100 -0.069 0.000 1.118 297 R CB 0.218 30.455 30.300 -0.106 0.000 1.134 297 R HN 0.780 nan 8.270 nan 0.000 0.524 298 A N 3.568 126.368 122.820 -0.034 0.000 2.477 298 A HA 0.130 4.453 4.320 0.006 0.000 0.246 298 A C -0.178 177.400 177.584 -0.010 0.000 1.078 298 A CA -0.146 51.880 52.037 -0.018 0.000 0.770 298 A CB 0.641 19.641 19.000 0.001 0.000 1.011 298 A HN 0.717 nan 8.150 nan 0.000 0.494 299 Q N 2.158 121.956 119.800 -0.003 0.000 2.356 299 Q HA 0.650 4.993 4.340 0.006 0.000 0.270 299 Q C -0.632 175.379 176.000 0.018 0.000 1.058 299 Q CA -0.304 55.503 55.803 0.006 0.000 0.802 299 Q CB 1.210 29.959 28.738 0.019 0.000 1.303 299 Q HN 0.745 nan 8.270 nan 0.000 0.444 300 M N 2.119 121.694 119.600 -0.043 0.000 2.157 300 M HA 0.223 4.706 4.480 0.006 0.000 0.304 300 M C 0.306 176.606 176.300 -0.000 0.000 1.171 300 M CA -0.160 55.089 55.300 -0.085 0.000 1.157 300 M CB 0.340 32.690 32.600 -0.416 0.000 1.403 300 M HN 0.784 nan 8.290 nan 0.000 0.473 301 N N -0.244 118.510 118.700 0.091 0.000 2.458 301 N HA 0.009 4.753 4.740 0.006 0.000 0.258 301 N C 0.370 175.970 175.510 0.150 0.000 1.219 301 N CA 0.572 53.718 53.050 0.161 0.000 0.902 301 N CB 0.657 39.286 38.487 0.237 0.000 1.076 301 N HN 0.704 nan 8.380 nan 0.000 0.455 302 T N -0.119 114.491 114.554 0.093 0.000 2.980 302 T HA 0.101 4.454 4.350 0.006 0.000 0.252 302 T C 1.514 176.211 174.700 -0.004 0.000 0.962 302 T CA -0.258 61.875 62.100 0.055 0.000 0.932 302 T CB -0.293 68.589 68.868 0.022 0.000 1.188 302 T HN 0.456 nan 8.240 nan 0.000 0.500 303 K N 0.715 121.071 120.400 -0.073 0.000 1.991 303 K HA -0.077 4.246 4.320 0.006 0.000 0.212 303 K C -0.129 176.316 176.600 -0.259 0.000 1.049 303 K CA 1.201 57.342 56.287 -0.243 0.000 0.932 303 K CB -0.227 31.995 32.500 -0.463 0.000 0.717 303 K HN 0.423 nan 8.250 nan 0.000 0.441 304 Y N 0.896 121.226 120.300 0.050 0.000 2.667 304 Y HA 0.272 4.825 4.550 0.006 0.000 0.340 304 Y C -0.049 175.865 175.900 0.023 0.000 1.303 304 Y CA -0.151 57.973 58.100 0.041 0.000 1.769 304 Y CB 0.109 38.601 38.460 0.053 0.000 1.804 304 Y HN 0.122 nan 8.280 nan 0.000 0.451 305 M N 0.799 120.459 119.600 0.099 0.000 2.550 305 M HA 0.444 4.927 4.480 0.006 0.000 0.292 305 M C -0.844 175.462 176.300 0.010 0.000 1.221 305 M CA -0.197 55.131 55.300 0.046 0.000 0.873 305 M CB 2.092 34.710 32.600 0.031 0.000 1.727 305 M HN 0.271 nan 8.290 nan 0.000 0.459 306 E N 0.804 120.991 120.200 -0.022 0.000 2.417 306 E HA 0.635 4.989 4.350 0.006 0.000 0.200 306 E C -0.635 175.919 176.600 -0.078 0.000 0.791 306 E CA -0.053 56.324 56.400 -0.038 0.000 0.911 306 E CB 1.690 31.375 29.700 -0.025 0.000 1.936 306 E HN 0.712 nan 8.360 nan 0.000 0.395 307 A N 0.348 123.119 122.820 -0.083 0.000 2.308 307 A HA 0.101 4.425 4.320 0.006 0.000 0.217 307 A C 0.629 178.131 177.584 -0.136 0.000 1.216 307 A CA 0.233 52.199 52.037 -0.118 0.000 0.864 307 A CB 0.076 19.017 19.000 -0.098 0.000 0.902 307 A HN 0.109 nan 8.150 nan 0.000 0.499 308 S N 0.656 116.287 115.700 -0.114 0.000 2.404 308 S HA 0.283 4.757 4.470 0.006 0.000 0.309 308 S C 1.545 176.059 174.600 -0.142 0.000 1.076 308 S CA 0.193 58.329 58.200 -0.108 0.000 1.095 308 S CB 0.281 63.438 63.200 -0.072 0.000 0.972 308 S HN 0.574 nan 8.310 nan 0.000 0.484 309 T N 3.307 117.756 114.554 -0.175 0.000 2.759 309 T HA -0.167 4.186 4.350 0.006 0.000 0.269 309 T C 1.865 176.496 174.700 -0.114 0.000 1.042 309 T CA 0.899 62.883 62.100 -0.193 0.000 1.140 309 T CB -0.310 68.424 68.868 -0.223 0.000 0.864 309 T HN 0.639 nan 8.240 nan 0.000 0.455 310 R N 1.266 121.721 120.500 -0.075 0.000 2.073 310 R HA -0.132 4.211 4.340 0.006 0.000 0.234 310 R C 2.530 178.784 176.300 -0.076 0.000 1.134 310 R CA 1.846 57.914 56.100 -0.052 0.000 0.952 310 R CB -0.393 29.888 30.300 -0.031 0.000 0.850 310 R HN 0.650 nan 8.270 nan 0.000 0.433 311 E N -0.167 119.982 120.200 -0.085 0.000 2.023 311 E HA -0.212 4.142 4.350 0.006 0.000 0.196 311 E C 1.877 178.386 176.600 -0.152 0.000 1.003 311 E CA 1.347 57.692 56.400 -0.091 0.000 0.809 311 E CB -0.164 29.493 29.700 -0.072 0.000 0.755 311 E HN 0.459 nan 8.360 nan 0.000 0.449 312 A N 0.414 123.111 122.820 -0.204 0.000 1.884 312 A HA -0.260 4.063 4.320 0.006 0.000 0.219 312 A C 2.433 179.656 177.584 -0.603 0.000 1.197 312 A CA 2.538 54.336 52.037 -0.398 0.000 0.637 312 A CB -1.302 17.505 19.000 -0.322 0.000 0.827 312 A HN 0.374 nan 8.150 nan 0.000 0.450 313 T N -0.485 113.882 114.554 -0.312 0.000 2.699 313 T HA -0.145 4.208 4.350 0.006 0.000 0.268 313 T C 1.852 176.487 174.700 -0.110 0.000 1.036 313 T CA 1.668 63.669 62.100 -0.164 0.000 1.147 313 T CB -0.463 68.383 68.868 -0.037 0.000 0.862 313 T HN 0.175 nan 8.240 nan 0.000 0.446 314 V N 1.248 121.103 119.914 -0.099 0.000 2.343 314 V HA -0.171 3.953 4.120 0.006 0.000 0.247 314 V C 2.757 178.831 176.094 -0.034 0.000 1.051 314 V CA 1.963 64.235 62.300 -0.046 0.000 1.036 314 V CB -1.010 30.791 31.823 -0.038 0.000 0.654 314 V HN 0.523 nan 8.190 nan 0.000 0.451 315 T N -1.142 113.363 114.554 -0.081 0.000 2.788 315 T HA -0.193 4.161 4.350 0.006 0.000 0.268 315 T C 1.634 176.394 174.700 0.100 0.000 1.044 315 T CA 1.763 63.857 62.100 -0.011 0.000 1.139 315 T CB -0.357 68.502 68.868 -0.015 0.000 0.867 315 T HN 0.686 nan 8.240 nan 0.000 0.454 316 H N -0.176 118.917 119.070 0.038 0.000 2.428 316 H HA 0.039 4.599 4.556 0.006 0.000 0.296 316 H C 2.342 177.695 175.328 0.041 0.000 1.062 316 H CA 0.576 56.650 56.048 0.043 0.000 1.350 316 H CB -0.006 29.782 29.762 0.042 0.000 1.403 316 H HN 0.123 nan 8.280 nan 0.000 0.533 317 V N 1.313 121.314 119.914 0.144 0.000 2.343 317 V HA -0.259 3.865 4.120 0.006 0.000 0.247 317 V C 2.382 178.523 176.094 0.079 0.000 1.051 317 V CA 1.555 63.911 62.300 0.094 0.000 1.036 317 V CB -0.494 31.366 31.823 0.061 0.000 0.654 317 V HN 0.353 nan 8.190 nan 0.000 0.451 318 L N -0.004 121.263 121.223 0.073 0.000 2.042 318 L HA -0.221 4.123 4.340 0.006 0.000 0.210 318 L C 2.262 179.179 176.870 0.080 0.000 1.076 318 L CA 2.122 57.002 54.840 0.065 0.000 0.749 318 L CB -0.956 41.136 42.059 0.055 0.000 0.893 318 L HN 0.436 nan 8.230 nan 0.000 0.432 319 N N 0.144 118.909 118.700 0.107 0.000 2.094 319 N HA -0.223 4.521 4.740 0.006 0.000 0.191 319 N C 1.917 177.472 175.510 0.075 0.000 1.023 319 N CA 1.050 54.162 53.050 0.102 0.000 0.857 319 N CB -0.230 38.329 38.487 0.121 0.000 1.013 319 N HN 0.260 nan 8.380 nan 0.000 0.426 320 L N 0.348 121.616 121.223 0.075 0.000 2.191 320 L HA -0.128 4.216 4.340 0.006 0.000 0.212 320 L C 2.156 179.053 176.870 0.046 0.000 1.103 320 L CA 0.393 55.268 54.840 0.057 0.000 0.769 320 L CB -0.156 41.940 42.059 0.062 0.000 0.908 320 L HN 0.265 nan 8.230 nan 0.000 0.438 321 L N -0.518 120.734 121.223 0.048 0.000 2.131 321 L HA -0.123 4.221 4.340 0.006 0.000 0.206 321 L C 2.271 179.162 176.870 0.034 0.000 1.087 321 L CA 1.523 56.386 54.840 0.038 0.000 0.767 321 L CB -0.294 41.788 42.059 0.038 0.000 0.917 321 L HN 0.068 nan 8.230 nan 0.000 0.441 322 I N -0.817 119.779 120.570 0.043 0.000 2.226 322 I HA -0.226 3.948 4.170 0.006 0.000 0.245 322 I C 2.346 178.477 176.117 0.024 0.000 1.100 322 I CA 1.279 62.602 61.300 0.039 0.000 1.374 322 I CB -1.193 36.843 38.000 0.058 0.000 1.057 322 I HN 0.264 nan 8.210 nan 0.000 0.413 323 S N 0.608 116.322 115.700 0.025 0.000 2.383 323 S HA -0.175 4.298 4.470 0.006 0.000 0.227 323 S C 1.967 176.571 174.600 0.007 0.000 1.026 323 S CA 1.181 59.388 58.200 0.011 0.000 0.981 323 S CB -0.105 63.105 63.200 0.016 0.000 0.818 323 S HN 0.284 nan 8.310 nan 0.000 0.472 324 K N 1.809 122.217 120.400 0.013 0.000 2.025 324 K HA 0.124 4.448 4.320 0.006 0.000 0.207 324 K C 1.802 178.404 176.600 0.004 0.000 1.049 324 K CA 0.994 57.286 56.287 0.009 0.000 0.933 324 K CB -0.576 31.932 32.500 0.014 0.000 0.714 324 K HN 0.250 nan 8.250 nan 0.000 0.438 325 L N 0.487 121.714 121.223 0.006 0.000 2.263 325 L HA -0.207 4.137 4.340 0.006 0.000 0.216 325 L C 1.797 178.663 176.870 -0.005 0.000 1.111 325 L CA 1.642 56.483 54.840 0.003 0.000 0.773 325 L CB -0.778 41.286 42.059 0.007 0.000 0.906 325 L HN 0.531 nan 8.230 nan 0.000 0.439 326 T N -3.627 110.921 114.554 -0.009 0.000 2.233 326 T HA 0.287 4.640 4.350 0.006 0.000 0.172 326 T C 0.299 174.984 174.700 -0.026 0.000 0.740 326 T CA -0.591 61.496 62.100 -0.020 0.000 1.172 326 T CB 0.807 69.658 68.868 -0.029 0.000 2.941 326 T HN 0.057 nan 8.240 nan 0.000 0.398 327 R N 0.175 120.654 120.500 -0.034 0.000 2.707 327 R HA 0.693 5.037 4.340 0.006 0.000 0.272 327 R C -2.312 173.965 176.300 -0.040 0.000 1.011 327 R CA -0.610 55.466 56.100 -0.040 0.000 0.893 327 R CB 2.021 32.291 30.300 -0.052 0.000 1.233 327 R HN 0.914 nan 8.270 nan 0.000 0.464 328 A N 2.498 125.298 122.820 -0.034 0.000 2.456 328 A HA 0.295 4.618 4.320 0.006 0.000 0.288 328 A C -0.839 176.734 177.584 -0.018 0.000 1.042 328 A CA -0.709 51.314 52.037 -0.023 0.000 0.738 328 A CB 1.546 20.548 19.000 0.002 0.000 1.266 328 A HN 0.892 nan 8.150 nan 0.000 0.407 329 D N 1.347 121.730 120.400 -0.028 0.000 2.240 329 D HA 0.142 4.786 4.640 0.006 0.000 0.206 329 D C 0.197 176.615 176.300 0.198 0.000 0.963 329 D CA 1.335 55.316 54.000 -0.032 0.000 0.863 329 D CB 0.536 41.208 40.800 -0.214 0.000 0.973 329 D HN 0.570 nan 8.370 nan 0.000 0.501 330 I N 0.978 121.658 120.570 0.184 0.000 2.498 330 I HA 0.161 4.335 4.170 0.006 0.000 0.290 330 I C -0.778 175.414 176.117 0.125 0.000 1.032 330 I CA -0.755 60.682 61.300 0.228 0.000 1.073 330 I CB 2.388 40.508 38.000 0.199 0.000 1.251 330 I HN -0.289 nan 8.210 nan 0.000 0.426 331 Q N 4.787 124.663 119.800 0.127 0.000 2.357 331 Q HA 0.438 4.781 4.340 0.006 0.000 0.266 331 Q C -1.319 174.731 176.000 0.083 0.000 1.021 331 Q CA -0.283 55.568 55.803 0.080 0.000 0.784 331 Q CB 1.734 30.510 28.738 0.063 0.000 1.243 331 Q HN 0.643 nan 8.270 nan 0.000 0.465 332 S N 2.117 117.850 115.700 0.055 0.000 2.610 332 S HA 0.638 5.111 4.470 0.006 0.000 0.273 332 S C -0.189 174.408 174.600 -0.006 0.000 1.274 332 S CA -0.283 57.939 58.200 0.036 0.000 1.023 332 S CB 1.049 64.260 63.200 0.018 0.000 0.962 332 S HN 0.784 nan 8.310 nan 0.000 0.523 333 T N -0.388 114.156 114.554 -0.016 0.000 2.948 333 T HA 0.745 5.099 4.350 0.006 0.000 0.285 333 T C -0.655 173.995 174.700 -0.083 0.000 1.019 333 T CA -0.757 61.310 62.100 -0.055 0.000 1.013 333 T CB 0.592 69.460 68.868 -0.000 0.000 1.117 333 T HN 0.286 nan 8.240 nan 0.000 0.533 334 I N 2.276 122.748 120.570 -0.163 0.000 2.582 334 I HA 0.329 4.503 4.170 0.006 0.000 0.292 334 I C 0.809 176.948 176.117 0.037 0.000 1.066 334 I CA -0.487 60.752 61.300 -0.102 0.000 1.053 334 I CB 1.985 39.863 38.000 -0.203 0.000 1.241 334 I HN 1.100 nan 8.210 nan 0.000 0.421 335 T N 3.523 118.119 114.554 0.070 0.000 2.930 335 T HA 0.206 4.560 4.350 0.006 0.000 0.306 335 T C -1.945 172.809 174.700 0.090 0.000 1.045 335 T CA -0.995 61.165 62.100 0.099 0.000 1.134 335 T CB 0.719 69.633 68.868 0.077 0.000 0.961 335 T HN 0.351 nan 8.240 nan 0.000 0.545 336 P HA -0.055 nan 4.420 nan 0.000 0.220 336 P C 0.959 178.075 177.300 -0.306 0.000 1.148 336 P CA 0.897 63.942 63.100 -0.092 0.000 0.803 336 P CB -0.058 31.595 31.700 -0.080 0.000 0.782 337 D N -1.070 119.022 120.400 -0.514 0.000 2.323 337 D HA -0.088 4.555 4.640 0.006 0.000 0.239 337 D C 1.438 177.533 176.300 -0.341 0.000 1.129 337 D CA 0.145 53.766 54.000 -0.633 0.000 0.865 337 D CB -0.742 39.431 40.800 -1.044 0.000 0.913 337 D HN 0.114 nan 8.370 nan 0.000 0.517 338 E N 0.735 120.823 120.200 -0.185 0.000 2.085 338 E HA -0.103 4.251 4.350 0.006 0.000 0.194 338 E C 1.763 178.300 176.600 -0.105 0.000 0.994 338 E CA 1.270 57.609 56.400 -0.101 0.000 0.801 338 E CB -0.243 29.444 29.700 -0.022 0.000 0.743 338 E HN 0.511 nan 8.360 nan 0.000 0.453 339 G N -0.217 108.515 108.800 -0.113 0.000 3.088 339 G HA2 -0.060 3.904 3.960 0.006 0.000 0.212 339 G HA3 -0.060 3.904 3.960 0.006 0.000 0.212 339 G C 1.467 176.297 174.900 -0.117 0.000 1.173 339 G CA -0.240 44.804 45.100 -0.093 0.000 0.779 339 G HN 0.054 nan 8.290 nan 0.000 0.540 340 R N -0.307 120.090 120.500 -0.171 0.000 2.167 340 R HA 0.169 4.512 4.340 0.006 0.000 0.195 340 R C 0.304 176.502 176.300 -0.170 0.000 1.027 340 R CA 0.550 56.535 56.100 -0.191 0.000 1.114 340 R CB 0.341 30.464 30.300 -0.294 0.000 1.075 340 R HN 0.478 nan 8.270 nan 0.000 0.538 341 N N -1.192 117.385 118.700 -0.204 0.000 3.106 341 N HA 0.093 4.837 4.740 0.006 0.000 0.253 341 N C -0.962 174.480 175.510 -0.113 0.000 1.506 341 N CA -0.651 52.318 53.050 -0.135 0.000 0.876 341 N CB 1.614 40.016 38.487 -0.141 0.000 1.452 341 N HN -0.258 nan 8.380 nan 0.000 0.542 342 V N 0.871 120.768 119.914 -0.029 0.000 2.715 342 V HA 0.224 4.347 4.120 0.006 0.000 0.299 342 V C -1.992 174.122 176.094 0.034 0.000 1.054 342 V CA -0.856 61.440 62.300 -0.006 0.000 1.077 342 V CB 0.200 32.021 31.823 -0.003 0.000 0.972 342 V HN 0.593 nan 8.190 nan 0.000 0.484 343 P HA -0.015 nan 4.420 nan 0.000 0.262 343 P C -0.779 176.682 177.300 0.269 0.000 1.182 343 P CA 0.163 63.313 63.100 0.083 0.000 0.761 343 P CB 0.217 31.969 31.700 0.086 0.000 0.795 344 W N 2.588 123.928 121.300 0.066 0.000 2.359 344 W HA 0.180 4.845 4.660 0.009 0.000 0.344 344 W C 1.837 178.372 176.519 0.025 0.000 1.170 344 W CA -0.396 56.932 57.345 -0.027 0.000 1.296 344 W CB -0.776 28.691 29.460 0.011 0.000 1.197 344 W HN 0.543 nan 8.180 nan 0.000 0.618 345 H N 1.533 120.717 119.070 0.190 0.000 2.325 345 H HA -0.221 4.339 4.556 0.005 0.000 0.293 345 H C 1.950 177.288 175.328 0.017 0.000 1.106 345 H CA 2.621 58.710 56.048 0.068 0.000 1.247 345 H CB -0.712 29.054 29.762 0.007 0.000 1.359 345 H HN 0.481 nan 8.280 nan 0.000 0.488 346 I N -2.421 118.213 120.570 0.106 0.000 2.761 346 I HA -0.139 4.034 4.170 0.006 0.000 0.261 346 I C 1.351 177.316 176.117 -0.253 0.000 1.198 346 I CA 1.200 62.423 61.300 -0.128 0.000 1.482 346 I CB -0.490 37.372 38.000 -0.230 0.000 1.100 346 I HN -0.051 nan 8.210 nan 0.000 0.445 347 Y N 1.866 122.220 120.300 0.089 0.000 2.523 347 Y HA 0.090 4.644 4.550 0.006 0.000 0.279 347 Y C 2.085 178.002 175.900 0.030 0.000 1.139 347 Y CA 0.614 58.728 58.100 0.023 0.000 1.296 347 Y CB -0.768 37.661 38.460 -0.053 0.000 1.045 347 Y HN 0.238 nan 8.280 nan 0.000 0.538 348 N N 0.011 118.800 118.700 0.149 0.000 2.171 348 N HA -0.122 4.622 4.740 0.006 0.000 0.184 348 N C 1.392 176.925 175.510 0.037 0.000 1.021 348 N CA 1.136 54.244 53.050 0.097 0.000 0.854 348 N CB -0.230 38.316 38.487 0.098 0.000 0.994 348 N HN 0.081 nan 8.380 nan 0.000 0.426 349 I N 1.456 122.003 120.570 -0.039 0.000 2.394 349 I HA -0.132 4.041 4.170 0.006 0.000 0.251 349 I C 2.000 178.070 176.117 -0.080 0.000 1.136 349 I CA 0.959 62.150 61.300 -0.182 0.000 1.425 349 I CB -0.549 37.184 38.000 -0.445 0.000 1.079 349 I HN 0.211 nan 8.210 nan 0.000 0.425 350 E N 0.429 120.626 120.200 -0.004 0.000 2.051 350 E HA -0.230 4.124 4.350 0.006 0.000 0.192 350 E C 2.360 179.025 176.600 0.108 0.000 0.991 350 E CA 1.395 57.840 56.400 0.075 0.000 0.799 350 E CB -0.208 29.590 29.700 0.162 0.000 0.748 350 E HN 0.484 nan 8.360 nan 0.000 0.449 351 A N 0.870 123.762 122.820 0.120 0.000 1.917 351 A HA -0.240 4.084 4.320 0.006 0.000 0.219 351 A C 2.497 180.138 177.584 0.096 0.000 1.182 351 A CA 1.620 53.727 52.037 0.117 0.000 0.633 351 A CB -0.937 18.123 19.000 0.100 0.000 0.819 351 A HN 0.379 nan 8.150 nan 0.000 0.448 352 C N -0.718 118.634 119.300 0.087 0.000 2.473 352 C HA -0.069 4.395 4.460 0.006 0.000 0.279 352 C C 2.396 177.457 174.990 0.119 0.000 1.250 352 C CA 0.854 59.932 59.018 0.100 0.000 1.713 352 C CB -1.342 26.469 27.740 0.119 0.000 2.066 352 C HN 0.631 nan 8.230 nan 0.000 0.474 353 D N 0.785 121.273 120.400 0.146 0.000 2.154 353 D HA -0.154 4.490 4.640 0.006 0.000 0.190 353 D C 2.140 178.508 176.300 0.114 0.000 1.003 353 D CA 2.073 56.165 54.000 0.154 0.000 0.849 353 D CB -0.872 40.033 40.800 0.175 0.000 0.942 353 D HN 0.414 nan 8.370 nan 0.000 0.446 354 T N 0.227 114.847 114.554 0.109 0.000 2.720 354 T HA -0.151 4.203 4.350 0.006 0.000 0.268 354 T C 1.890 176.644 174.700 0.090 0.000 1.037 354 T CA 1.672 63.833 62.100 0.102 0.000 1.144 354 T CB -0.281 68.658 68.868 0.120 0.000 0.864 354 T HN 0.262 nan 8.240 nan 0.000 0.444 355 A N 1.235 124.107 122.820 0.086 0.000 1.854 355 A HA 0.000 4.324 4.320 0.006 0.000 0.214 355 A C 2.197 179.816 177.584 0.058 0.000 1.192 355 A CA 1.740 53.819 52.037 0.070 0.000 0.611 355 A CB -0.544 18.495 19.000 0.065 0.000 0.832 355 A HN 0.445 nan 8.150 nan 0.000 0.442 356 K N -0.454 119.982 120.400 0.059 0.000 2.059 356 K HA -0.300 4.024 4.320 0.006 0.000 0.212 356 K C 2.367 178.989 176.600 0.037 0.000 1.050 356 K CA 2.154 58.467 56.287 0.042 0.000 0.927 356 K CB -0.212 32.317 32.500 0.049 0.000 0.714 356 K HN 0.651 nan 8.250 nan 0.000 0.447 357 Q N -0.455 119.377 119.800 0.053 0.000 2.050 357 Q HA -0.161 4.182 4.340 0.006 0.000 0.202 357 Q C 1.851 177.875 176.000 0.040 0.000 0.980 357 Q CA 1.710 57.542 55.803 0.050 0.000 0.840 357 Q CB -0.180 28.598 28.738 0.067 0.000 0.898 357 Q HN 0.432 nan 8.270 nan 0.000 0.424 358 A N 0.255 123.103 122.820 0.046 0.000 1.970 358 A HA -0.029 4.295 4.320 0.006 0.000 0.216 358 A C 1.961 179.563 177.584 0.030 0.000 1.170 358 A CA 0.659 52.720 52.037 0.039 0.000 0.645 358 A CB -0.359 18.670 19.000 0.049 0.000 0.816 358 A HN 0.437 nan 8.150 nan 0.000 0.447 359 L N -0.437 120.805 121.223 0.031 0.000 2.240 359 L HA -0.063 4.281 4.340 0.006 0.000 0.211 359 L C 2.140 179.021 176.870 0.019 0.000 1.106 359 L CA 0.356 55.211 54.840 0.025 0.000 0.793 359 L CB -0.207 41.867 42.059 0.026 0.000 0.927 359 L HN 0.288 nan 8.230 nan 0.000 0.446 360 I N -0.095 120.484 120.570 0.014 0.000 2.333 360 I HA -0.073 4.101 4.170 0.006 0.000 0.246 360 I C 2.615 178.743 176.117 0.019 0.000 1.106 360 I CA 1.327 62.635 61.300 0.014 0.000 1.411 360 I CB -1.627 36.365 38.000 -0.014 0.000 1.082 360 I HN 0.193 nan 8.210 nan 0.000 0.420 361 G N 0.663 109.464 108.800 0.003 0.000 2.469 361 G HA2 -0.260 3.704 3.960 0.006 0.000 0.220 361 G HA3 -0.260 3.704 3.960 0.006 0.000 0.220 361 G C 1.533 176.424 174.900 -0.015 0.000 1.136 361 G CA 0.457 45.547 45.100 -0.017 0.000 0.759 361 G HN 0.321 nan 8.290 nan 0.000 0.562 362 M N 1.191 120.792 119.600 0.002 0.000 2.530 362 M HA 0.151 4.635 4.480 0.006 0.000 0.231 362 M C 0.252 176.557 176.300 0.007 0.000 1.180 362 M CA -0.195 55.107 55.300 0.003 0.000 0.985 362 M CB 0.325 32.931 32.600 0.011 0.000 1.623 362 M HN 0.077 nan 8.290 nan 0.000 0.475 363 D N 1.130 121.539 120.400 0.016 0.000 2.487 363 D HA -0.038 4.605 4.640 0.006 0.000 0.243 363 D C 1.083 177.390 176.300 0.012 0.000 1.154 363 D CA 1.437 55.459 54.000 0.037 0.000 0.876 363 D CB 0.733 41.595 40.800 0.102 0.000 1.161 363 D HN 0.629 nan 8.370 nan 0.000 0.478 364 G N 3.701 112.511 108.800 0.017 0.000 2.187 364 G HA2 -0.339 3.625 3.960 0.006 0.000 0.261 364 G HA3 -0.339 3.625 3.960 0.006 0.000 0.261 364 G C 1.074 175.972 174.900 -0.004 0.000 1.000 364 G CA 0.620 45.723 45.100 0.005 0.000 0.718 364 G HN 0.584 nan 8.290 nan 0.000 0.519 365 L N -0.423 120.798 121.223 -0.003 0.000 2.189 365 L HA 0.034 4.378 4.340 0.006 0.000 0.214 365 L C 2.414 179.282 176.870 -0.003 0.000 1.097 365 L CA 2.437 57.274 54.840 -0.005 0.000 0.764 365 L CB -0.208 41.850 42.059 -0.002 0.000 0.900 365 L HN 0.351 nan 8.230 nan 0.000 0.436 366 M N -1.139 118.460 119.600 -0.002 0.000 2.563 366 M HA 0.034 4.518 4.480 0.006 0.000 0.231 366 M C 0.905 177.202 176.300 -0.004 0.000 1.136 366 M CA 0.426 55.724 55.300 -0.003 0.000 1.026 366 M CB -0.921 31.677 32.600 -0.004 0.000 1.597 366 M HN 0.178 nan 8.290 nan 0.000 0.495 367 D N 0.076 120.473 120.400 -0.005 0.000 2.305 367 D HA 0.098 4.742 4.640 0.006 0.000 0.206 367 D C 1.836 178.133 176.300 -0.005 0.000 0.974 367 D CA 0.833 54.830 54.000 -0.005 0.000 0.871 367 D CB 0.252 41.049 40.800 -0.006 0.000 0.947 367 D HN 0.361 nan 8.370 nan 0.000 0.516 368 M N -0.362 119.235 119.600 -0.006 0.000 2.461 368 M HA 0.173 4.656 4.480 0.006 0.000 0.255 368 M C 0.029 176.327 176.300 -0.003 0.000 1.137 368 M CA 0.265 55.562 55.300 -0.005 0.000 1.086 368 M CB 1.748 34.343 32.600 -0.007 0.000 1.356 368 M HN -0.311 nan 8.290 nan 0.000 0.487 369 V N 1.593 121.505 119.914 -0.002 0.000 2.789 369 V HA 0.412 4.536 4.120 0.006 0.000 0.311 369 V C -1.044 175.050 176.094 -0.001 0.000 1.073 369 V CA -0.667 61.633 62.300 -0.000 0.000 0.921 369 V CB 2.241 34.065 31.823 0.001 0.000 1.009 369 V HN 0.412 nan 8.190 nan 0.000 0.426 370 Q N 3.526 123.326 119.800 0.000 0.000 2.462 370 Q HA 0.723 5.067 4.340 0.006 0.000 0.285 370 Q C -1.492 174.507 176.000 -0.000 0.000 1.035 370 Q CA -0.998 54.804 55.803 -0.001 0.000 0.799 370 Q CB 2.199 30.936 28.738 -0.002 0.000 1.452 370 Q HN 0.537 nan 8.270 nan 0.000 0.404 371 L N 1.719 122.941 121.223 -0.003 0.000 2.477 371 L HA 0.198 4.542 4.340 0.006 0.000 0.272 371 L C 0.376 177.243 176.870 -0.004 0.000 1.157 371 L CA -0.185 54.653 54.840 -0.004 0.000 0.889 371 L CB 0.257 42.311 42.059 -0.008 0.000 1.158 371 L HN 0.619 nan 8.230 nan 0.000 0.473 372 K N 3.062 123.461 120.400 -0.002 0.000 2.146 372 K HA -0.063 4.260 4.320 0.006 0.000 0.220 372 K C 1.161 177.758 176.600 -0.005 0.000 1.227 372 K CA -0.131 56.156 56.287 -0.000 0.000 1.185 372 K CB 0.056 32.559 32.500 0.005 0.000 1.333 372 K HN 0.358 nan 8.250 nan 0.000 0.242 373 R N 1.325 121.822 120.500 -0.005 0.000 2.075 373 R HA -0.072 4.271 4.340 0.006 0.000 0.232 373 R C -0.075 176.222 176.300 -0.005 0.000 1.126 373 R CA 1.477 57.573 56.100 -0.007 0.000 0.963 373 R CB 0.221 30.518 30.300 -0.005 0.000 0.858 373 R HN 0.269 nan 8.270 nan 0.000 0.435 374 E N 0.680 120.879 120.200 -0.000 0.000 1.941 374 E HA 0.388 4.742 4.350 0.006 0.000 0.275 374 E C -0.085 176.518 176.600 0.004 0.000 1.113 374 E CA 0.306 56.708 56.400 0.003 0.000 0.878 374 E CB 0.656 30.358 29.700 0.004 0.000 1.070 374 E HN 0.513 nan 8.360 nan 0.000 0.399 375 G N -0.054 108.748 108.800 0.003 0.000 2.450 375 G HA2 -0.000 3.963 3.960 0.006 0.000 0.273 375 G HA3 -0.000 3.963 3.960 0.006 0.000 0.273 375 G C 0.309 175.210 174.900 0.002 0.000 1.221 375 G CA -0.112 44.992 45.100 0.006 0.000 0.900 375 G HN 0.251 nan 8.290 nan 0.000 0.483 376 V N 0.261 120.176 119.914 0.001 0.000 2.720 376 V HA -0.035 4.088 4.120 0.006 0.000 0.256 376 V C 2.427 178.485 176.094 -0.061 0.000 1.082 376 V CA 2.727 65.020 62.300 -0.011 0.000 1.101 376 V CB -0.375 31.460 31.823 0.020 0.000 0.693 376 V HN 0.728 nan 8.190 nan 0.000 0.479 377 L N 1.926 123.105 121.223 -0.073 0.000 1.973 377 L HA 0.167 4.511 4.340 0.006 0.000 0.208 377 L C 2.540 179.391 176.870 -0.031 0.000 1.073 377 L CA 2.646 57.439 54.840 -0.078 0.000 0.746 377 L CB -1.722 40.297 42.059 -0.067 0.000 0.891 377 L HN 0.310 nan 8.230 nan 0.000 0.433 378 G N -1.078 107.713 108.800 -0.014 0.000 2.462 378 G HA2 -0.269 3.694 3.960 0.006 0.000 0.220 378 G HA3 -0.269 3.694 3.960 0.006 0.000 0.220 378 G C 1.236 176.144 174.900 0.013 0.000 1.121 378 G CA 0.944 46.045 45.100 0.002 0.000 0.758 378 G HN 0.475 nan 8.290 nan 0.000 0.559 379 D N 0.397 120.804 120.400 0.012 0.000 2.091 379 D HA -0.064 4.580 4.640 0.006 0.000 0.199 379 D C 2.747 179.070 176.300 0.038 0.000 0.980 379 D CA 1.556 55.571 54.000 0.026 0.000 0.831 379 D CB -0.729 40.087 40.800 0.027 0.000 0.987 379 D HN 0.207 nan 8.370 nan 0.000 0.460 380 T N 0.935 115.506 114.554 0.029 0.000 2.833 380 T HA -0.073 4.281 4.350 0.006 0.000 0.269 380 T C 2.248 176.989 174.700 0.069 0.000 1.054 380 T CA 0.514 62.644 62.100 0.051 0.000 1.135 380 T CB -0.250 68.626 68.868 0.013 0.000 0.869 380 T HN -0.044 nan 8.240 nan 0.000 0.466 381 V N 1.673 121.614 119.914 0.045 0.000 2.343 381 V HA -0.155 3.968 4.120 0.006 0.000 0.247 381 V C 2.633 178.767 176.094 0.067 0.000 1.051 381 V CA 1.760 64.094 62.300 0.056 0.000 1.036 381 V CB -0.544 31.297 31.823 0.030 0.000 0.654 381 V HN 0.304 nan 8.190 nan 0.000 0.451 382 R N 0.579 121.112 120.500 0.054 0.000 2.092 382 R HA -0.157 4.187 4.340 0.006 0.000 0.231 382 R C 2.223 178.565 176.300 0.069 0.000 1.119 382 R CA 1.904 58.036 56.100 0.054 0.000 0.970 382 R CB -0.520 29.804 30.300 0.041 0.000 0.864 382 R HN 0.587 nan 8.270 nan 0.000 0.440 383 E N 0.070 120.318 120.200 0.080 0.000 2.072 383 E HA -0.154 4.200 4.350 0.006 0.000 0.191 383 E C 1.859 178.528 176.600 0.114 0.000 0.985 383 E CA 1.407 57.861 56.400 0.090 0.000 0.801 383 E CB -0.022 29.740 29.700 0.103 0.000 0.750 383 E HN 0.404 nan 8.360 nan 0.000 0.452 384 L N 0.556 121.868 121.223 0.148 0.000 2.056 384 L HA -0.169 4.175 4.340 0.006 0.000 0.207 384 L C 2.593 179.561 176.870 0.162 0.000 1.078 384 L CA 1.201 56.154 54.840 0.189 0.000 0.749 384 L CB -0.297 41.911 42.059 0.249 0.000 0.901 384 L HN -0.032 nan 8.230 nan 0.000 0.433 385 K N 0.282 120.760 120.400 0.130 0.000 2.020 385 K HA -0.222 4.101 4.320 0.006 0.000 0.212 385 K C 2.087 178.745 176.600 0.097 0.000 1.050 385 K CA 1.852 58.203 56.287 0.107 0.000 0.929 385 K CB -0.153 32.393 32.500 0.077 0.000 0.714 385 K HN 0.315 nan 8.250 nan 0.000 0.443 386 E N 0.093 120.344 120.200 0.085 0.000 2.085 386 E HA -0.196 4.158 4.350 0.006 0.000 0.194 386 E C 2.092 178.752 176.600 0.101 0.000 0.994 386 E CA 1.102 57.548 56.400 0.077 0.000 0.801 386 E CB -0.022 29.712 29.700 0.057 0.000 0.743 386 E HN 0.212 nan 8.360 nan 0.000 0.453 387 R N 0.339 120.906 120.500 0.111 0.000 2.120 387 R HA -0.115 4.228 4.340 0.006 0.000 0.234 387 R C 2.318 178.753 176.300 0.226 0.000 1.123 387 R CA 1.051 57.247 56.100 0.159 0.000 0.975 387 R CB -0.245 30.113 30.300 0.096 0.000 0.866 387 R HN 0.123 nan 8.270 nan 0.000 0.446 388 A N 0.627 123.544 122.820 0.161 0.000 1.855 388 A HA -0.106 4.217 4.320 0.006 0.000 0.215 388 A C 2.337 179.990 177.584 0.114 0.000 1.191 388 A CA 1.314 53.424 52.037 0.122 0.000 0.613 388 A CB -0.679 18.391 19.000 0.116 0.000 0.829 388 A HN 0.095 nan 8.150 nan 0.000 0.442 389 V N 0.445 120.422 119.914 0.104 0.000 2.278 389 V HA -0.337 3.787 4.120 0.006 0.000 0.251 389 V C 2.608 178.774 176.094 0.119 0.000 1.062 389 V CA 2.218 64.573 62.300 0.092 0.000 1.038 389 V CB -0.944 30.922 31.823 0.071 0.000 0.646 389 V HN 0.573 nan 8.190 nan 0.000 0.447 390 L N -1.390 119.926 121.223 0.154 0.000 2.013 390 L HA -0.255 4.088 4.340 0.006 0.000 0.212 390 L C 2.365 179.372 176.870 0.228 0.000 1.073 390 L CA 2.211 57.169 54.840 0.197 0.000 0.753 390 L CB -0.646 41.555 42.059 0.236 0.000 0.890 390 L HN 0.322 nan 8.230 nan 0.000 0.432 391 F N -0.067 119.845 119.950 -0.064 0.000 2.065 391 F HA -0.353 4.178 4.527 0.006 0.000 0.298 391 F C 2.715 178.373 175.800 -0.237 0.000 1.112 391 F CA 1.379 59.012 58.000 -0.613 0.000 1.212 391 F CB 0.036 38.481 39.000 -0.926 0.000 0.975 391 F HN 0.005 nan 8.300 nan 0.000 0.476 392 M N 0.128 119.856 119.600 0.213 0.000 2.108 392 M HA -0.258 4.226 4.480 0.006 0.000 0.261 392 M C 1.972 178.363 176.300 0.152 0.000 1.066 392 M CA 1.767 57.171 55.300 0.173 0.000 1.107 392 M CB -1.388 31.276 32.600 0.107 0.000 1.356 392 M HN 0.287 nan 8.290 nan 0.000 0.406 393 E N -0.041 120.232 120.200 0.123 0.000 2.085 393 E HA -0.238 4.116 4.350 0.006 0.000 0.194 393 E C 1.975 178.643 176.600 0.113 0.000 0.994 393 E CA 1.335 57.796 56.400 0.101 0.000 0.801 393 E CB -0.178 29.572 29.700 0.083 0.000 0.743 393 E HN 0.573 nan 8.360 nan 0.000 0.453 394 E N 0.630 120.899 120.200 0.115 0.000 2.150 394 E HA -0.161 4.193 4.350 0.006 0.000 0.193 394 E C 2.015 178.786 176.600 0.284 0.000 0.985 394 E CA 0.559 57.036 56.400 0.129 0.000 0.814 394 E CB 0.056 29.748 29.700 -0.013 0.000 0.752 394 E HN 0.226 nan 8.360 nan 0.000 0.466 395 I N 0.618 121.381 120.570 0.321 0.000 2.202 395 I HA -0.266 3.907 4.170 0.006 0.000 0.242 395 I C 2.358 178.594 176.117 0.197 0.000 1.091 395 I CA 0.855 62.377 61.300 0.371 0.000 1.368 395 I CB -0.201 38.037 38.000 0.396 0.000 1.058 395 I HN 0.171 nan 8.210 nan 0.000 0.410 396 I N 0.665 121.328 120.570 0.156 0.000 2.127 396 I HA -0.347 3.826 4.170 0.006 0.000 0.241 396 I C 2.667 178.832 176.117 0.079 0.000 1.075 396 I CA 1.677 63.035 61.300 0.097 0.000 1.334 396 I CB -0.371 37.678 38.000 0.082 0.000 1.040 396 I HN 0.298 nan 8.210 nan 0.000 0.405 397 E N 0.783 121.039 120.200 0.093 0.000 2.219 397 E HA -0.247 4.106 4.350 0.006 0.000 0.198 397 E C 1.720 178.358 176.600 0.064 0.000 0.998 397 E CA 1.285 57.730 56.400 0.074 0.000 0.818 397 E CB 0.026 29.776 29.700 0.083 0.000 0.741 397 E HN 0.534 nan 8.360 nan 0.000 0.477 398 A N -0.610 122.254 122.820 0.073 0.000 2.345 398 A HA 0.377 4.700 4.320 0.006 0.000 0.225 398 A C 1.294 178.864 177.584 -0.023 0.000 1.243 398 A CA 0.657 52.704 52.037 0.017 0.000 0.875 398 A CB 0.271 19.254 19.000 -0.029 0.000 0.929 398 A HN 0.368 nan 8.150 nan 0.000 0.502 399 G N -2.244 106.557 108.800 0.002 0.000 2.148 399 G HA2 0.344 4.308 3.960 0.006 0.000 0.203 399 G HA3 0.344 4.308 3.960 0.006 0.000 0.203 399 G C 1.149 176.045 174.900 -0.006 0.000 0.993 399 G CA 0.263 45.360 45.100 -0.006 0.000 0.661 399 G HN 2.417 nan 8.290 nan 0.000 0.518 400 G N -1.925 106.884 108.800 0.014 0.000 2.592 400 G HA2 0.169 4.133 3.960 0.006 0.000 0.684 400 G HA3 0.169 4.133 3.960 0.006 0.000 0.684 400 G C 0.251 175.184 174.900 0.054 0.000 1.291 400 G CA 0.429 45.546 45.100 0.030 0.000 0.891 400 G HN 1.483 nan 8.290 nan 0.000 0.544 401 Y N 0.273 120.538 120.300 -0.058 0.000 2.053 401 Y HA -0.114 4.439 4.550 0.006 0.000 0.277 401 Y C 2.825 178.769 175.900 0.074 0.000 1.159 401 Y CA 3.252 61.343 58.100 -0.014 0.000 1.125 401 Y CB -0.403 37.955 38.460 -0.170 0.000 0.969 401 Y HN 0.500 nan 8.280 nan 0.000 0.492 402 F N 0.914 120.752 119.950 -0.187 0.000 2.063 402 F HA -0.318 4.212 4.527 0.006 0.000 0.298 402 F C 2.362 177.995 175.800 -0.279 0.000 1.109 402 F CA 1.711 59.550 58.000 -0.268 0.000 1.212 402 F CB -1.504 37.412 39.000 -0.140 0.000 0.973 402 F HN 0.217 nan 8.300 nan 0.000 0.480 403 N N 0.239 118.930 118.700 -0.015 0.000 2.069 403 N HA -0.154 4.589 4.740 0.006 0.000 0.191 403 N C 2.039 177.368 175.510 -0.302 0.000 1.031 403 N CA 1.534 54.504 53.050 -0.134 0.000 0.852 403 N CB -0.740 37.679 38.487 -0.113 0.000 1.018 403 N HN 0.246 nan 8.380 nan 0.000 0.423 404 A N 0.792 123.399 122.820 -0.355 0.000 1.908 404 A HA -0.105 4.219 4.320 0.006 0.000 0.218 404 A C 2.557 179.891 177.584 -0.416 0.000 1.181 404 A CA 1.420 53.056 52.037 -0.669 0.000 0.627 404 A CB -0.807 18.067 19.000 -0.210 0.000 0.818 404 A HN 0.123 nan 8.150 nan 0.000 0.445 405 V N 0.169 119.923 119.914 -0.266 0.000 2.343 405 V HA -0.252 3.872 4.120 0.006 0.000 0.247 405 V C 2.389 178.393 176.094 -0.151 0.000 1.051 405 V CA 2.160 64.361 62.300 -0.166 0.000 1.036 405 V CB -0.792 30.822 31.823 -0.349 0.000 0.654 405 V HN 0.614 nan 8.190 nan 0.000 0.451 406 E N -0.234 119.851 120.200 -0.192 0.000 2.209 406 E HA -0.267 4.087 4.350 0.006 0.000 0.196 406 E C 2.038 178.553 176.600 -0.140 0.000 0.993 406 E CA 1.135 57.443 56.400 -0.153 0.000 0.819 406 E CB -0.104 29.508 29.700 -0.146 0.000 0.745 406 E HN 0.674 nan 8.360 nan 0.000 0.477 407 Q N -0.804 118.867 119.800 -0.214 0.000 2.403 407 Q HA 0.086 4.430 4.340 0.006 0.000 0.203 407 Q C 0.806 176.789 176.000 -0.029 0.000 0.932 407 Q CA 0.351 56.049 55.803 -0.175 0.000 0.945 407 Q CB 0.821 29.358 28.738 -0.335 0.000 1.045 407 Q HN 0.369 nan 8.270 nan 0.000 0.511 408 G N 0.210 109.013 108.800 0.005 0.000 2.147 408 G HA2 -0.277 3.686 3.960 0.006 0.000 0.244 408 G HA3 -0.277 3.686 3.960 0.006 0.000 0.244 408 G C 0.372 175.410 174.900 0.230 0.000 1.005 408 G CA 0.084 45.245 45.100 0.101 0.000 0.713 408 G HN 0.349 nan 8.290 nan 0.000 0.515 409 F N -0.359 119.564 119.950 -0.045 0.000 2.184 409 F HA 0.152 4.682 4.527 0.006 0.000 0.301 409 F C 1.558 177.225 175.800 -0.221 0.000 1.076 409 F CA 0.423 58.309 58.000 -0.191 0.000 1.295 409 F CB -0.508 38.318 39.000 -0.292 0.000 1.026 409 F HN 0.253 nan 8.300 nan 0.000 0.494 410 F N -1.582 118.519 119.950 0.252 0.000 2.421 410 F HA 0.439 4.970 4.527 0.006 0.000 0.337 410 F C 0.951 176.800 175.800 0.081 0.000 1.105 410 F CA -0.803 57.297 58.000 0.168 0.000 1.049 410 F CB 1.300 40.355 39.000 0.092 0.000 1.139 410 F HN -0.410 nan 8.300 nan 0.000 0.479 411 V N 0.697 120.762 119.914 0.251 0.000 4.554 411 V HA -0.276 3.848 4.120 0.006 0.000 0.260 411 V C 0.025 176.180 176.094 0.101 0.000 0.402 411 V CA 0.845 63.238 62.300 0.156 0.000 0.845 411 V CB -2.020 29.873 31.823 0.117 0.000 0.843 411 V HN 0.971 nan 8.190 nan 0.000 1.359 412 D N 0.736 121.194 120.400 0.096 0.000 2.382 412 D HA 0.232 4.875 4.640 0.006 0.000 0.245 412 D C 1.365 177.690 176.300 0.042 0.000 1.120 412 D CA 0.723 54.755 54.000 0.054 0.000 0.890 412 D CB 1.678 42.499 40.800 0.034 0.000 1.201 412 D HN 0.575 nan 8.370 nan 0.000 0.433 413 S N 1.831 117.539 115.700 0.013 0.000 2.603 413 S HA 0.115 4.589 4.470 0.006 0.000 0.220 413 S C 1.093 175.678 174.600 -0.026 0.000 0.967 413 S CA -0.319 57.872 58.200 -0.016 0.000 0.920 413 S CB 0.145 63.327 63.200 -0.030 0.000 0.773 413 S HN 0.457 nan 8.310 nan 0.000 0.529 414 G N 0.672 109.473 108.800 0.002 0.000 2.569 414 G HA2 0.323 4.287 3.960 0.006 0.000 0.249 414 G HA3 0.323 4.287 3.960 0.006 0.000 0.249 414 G C -0.965 173.991 174.900 0.093 0.000 1.216 414 G CA -0.563 44.547 45.100 0.016 0.000 0.845 414 G HN 0.359 nan 8.290 nan 0.000 0.568 415 Y N 2.106 122.369 120.300 -0.062 0.000 2.535 415 Y HA 0.325 4.878 4.550 0.006 0.000 0.349 415 Y C 0.060 175.958 175.900 -0.003 0.000 0.992 415 Y CA -1.987 56.099 58.100 -0.024 0.000 1.248 415 Y CB -0.431 38.007 38.460 -0.036 0.000 1.124 415 Y HN 0.481 nan 8.280 nan 0.000 0.520 416 Y N 9.316 129.526 120.300 -0.150 0.000 2.805 416 Y HA 0.090 4.644 4.550 0.006 0.000 0.337 416 Y C -1.264 174.416 175.900 -0.366 0.000 1.252 416 Y CA -1.296 56.660 58.100 -0.241 0.000 1.515 416 Y CB 0.842 39.239 38.460 -0.105 0.000 1.305 416 Y HN 0.537 nan 8.280 nan 0.000 0.600 417 P HA -0.096 nan 4.420 nan 0.000 0.245 417 P C -0.386 176.393 177.300 -0.868 0.000 1.212 417 P CA 0.465 62.434 63.100 -1.885 0.000 0.774 417 P CB -0.100 30.862 31.700 -1.230 0.000 0.999 418 E N 1.564 121.479 120.200 -0.474 0.000 2.452 418 E HA -0.017 4.337 4.350 0.006 0.000 0.261 418 E C -0.182 176.302 176.600 -0.193 0.000 0.987 418 E CA -0.200 56.051 56.400 -0.248 0.000 0.926 418 E CB 0.402 30.035 29.700 -0.111 0.000 0.934 418 E HN -0.053 nan 8.360 nan 0.000 0.452 419 R N 4.220 124.629 120.500 -0.152 0.000 2.468 419 R HA 0.193 4.536 4.340 0.006 0.000 0.302 419 R C -0.256 176.008 176.300 -0.060 0.000 1.041 419 R CA -0.565 55.472 56.100 -0.104 0.000 0.899 419 R CB 0.426 30.649 30.300 -0.128 0.000 1.167 419 R HN 0.561 nan 8.270 nan 0.000 0.483 420 N N 2.449 121.127 118.700 -0.037 0.000 2.512 420 N HA 0.003 4.746 4.740 0.006 0.000 0.183 420 N C 0.971 176.472 175.510 -0.015 0.000 1.073 420 N CA 1.202 54.238 53.050 -0.024 0.000 0.911 420 N CB 0.405 38.881 38.487 -0.018 0.000 0.964 420 N HN 0.929 nan 8.380 nan 0.000 0.447 421 G N 1.403 110.196 108.800 -0.011 0.000 2.143 421 G HA2 -0.250 3.714 3.960 0.006 0.000 0.249 421 G HA3 -0.250 3.714 3.960 0.006 0.000 0.249 421 G C -0.111 174.794 174.900 0.009 0.000 0.981 421 G CA 0.493 45.594 45.100 0.001 0.000 0.665 421 G HN 0.521 nan 8.290 nan 0.000 0.528 422 D N 0.313 120.719 120.400 0.010 0.000 2.525 422 D HA 0.455 5.098 4.640 0.006 0.000 0.229 422 D C 1.257 177.571 176.300 0.024 0.000 1.202 422 D CA 0.206 54.214 54.000 0.012 0.000 0.828 422 D CB -0.162 40.642 40.800 0.007 0.000 1.008 422 D HN 0.627 nan 8.370 nan 0.000 0.493 423 G N 0.256 109.079 108.800 0.038 0.000 2.616 423 G HA2 0.449 4.412 3.960 0.006 0.000 0.268 423 G HA3 0.449 4.412 3.960 0.006 0.000 0.268 423 G C 0.138 175.063 174.900 0.042 0.000 1.213 423 G CA -0.801 44.334 45.100 0.058 0.000 0.926 423 G HN 0.259 nan 8.290 nan 0.000 0.523 424 I N 0.877 121.472 120.570 0.042 0.000 2.352 424 I HA 0.402 4.575 4.170 0.006 0.000 0.290 424 I C 0.467 176.584 176.117 -0.001 0.000 1.036 424 I CA -0.360 60.939 61.300 -0.001 0.000 1.336 424 I CB 1.233 39.203 38.000 -0.050 0.000 1.407 424 I HN 0.411 nan 8.210 nan 0.000 0.497 425 A N 7.743 130.549 122.820 -0.024 0.000 2.291 425 A HA 0.683 5.006 4.320 0.006 0.000 0.311 425 A C -0.351 177.193 177.584 -0.068 0.000 1.224 425 A CA -0.789 51.224 52.037 -0.041 0.000 0.821 425 A CB 0.738 19.718 19.000 -0.035 0.000 1.172 425 A HN 0.607 nan 8.150 nan 0.000 0.494 426 R N 1.853 122.296 120.500 -0.095 0.000 2.532 426 R HA 0.439 4.783 4.340 0.006 0.000 0.295 426 R C -0.917 175.308 176.300 -0.125 0.000 0.968 426 R CA -0.749 55.285 56.100 -0.110 0.000 0.916 426 R CB 1.269 31.491 30.300 -0.130 0.000 1.124 426 R HN 0.758 nan 8.270 nan 0.000 0.463 427 Q N 2.337 122.070 119.800 -0.113 0.000 2.296 427 Q HA 0.120 4.464 4.340 0.006 0.000 0.263 427 Q C 1.422 177.325 176.000 -0.161 0.000 1.026 427 Q CA 0.038 55.770 55.803 -0.119 0.000 0.912 427 Q CB 0.836 29.520 28.738 -0.090 0.000 1.198 427 Q HN 0.579 nan 8.270 nan 0.000 0.407 428 I N 2.664 123.116 120.570 -0.197 0.000 2.300 428 I HA -0.315 3.859 4.170 0.006 0.000 0.252 428 I C 0.534 176.509 176.117 -0.236 0.000 1.119 428 I CA 1.728 62.855 61.300 -0.289 0.000 1.384 428 I CB 0.182 38.028 38.000 -0.257 0.000 1.062 428 I HN 0.772 nan 8.210 nan 0.000 0.426 429 N N 0.246 118.855 118.700 -0.152 0.000 2.238 429 N HA 0.141 4.884 4.740 0.006 0.000 0.222 429 N C 0.362 175.815 175.510 -0.095 0.000 1.133 429 N CA 0.176 53.158 53.050 -0.114 0.000 0.854 429 N CB 0.529 38.966 38.487 -0.083 0.000 1.041 429 N HN 0.309 nan 8.380 nan 0.000 0.510 430 G N -1.189 107.548 108.800 -0.104 0.000 3.013 430 G HA2 0.700 4.663 3.960 0.006 0.000 0.278 430 G HA3 0.700 4.663 3.960 0.006 0.000 0.278 430 G C -0.120 174.734 174.900 -0.076 0.000 1.353 430 G CA -0.252 44.801 45.100 -0.079 0.000 1.043 430 G HN 0.457 nan 8.290 nan 0.000 0.523 431 G N -1.440 107.328 108.800 -0.053 0.000 2.661 431 G HA2 0.128 4.091 3.960 0.006 0.000 0.685 431 G HA3 0.128 4.091 3.960 0.006 0.000 0.685 431 G C -0.356 174.535 174.900 -0.016 0.000 1.298 431 G CA -0.548 44.529 45.100 -0.038 0.000 0.855 431 G HN 0.847 nan 8.290 nan 0.000 0.560 432 I N 1.513 122.093 120.570 0.016 0.000 2.710 432 I HA 0.366 4.539 4.170 0.006 0.000 0.286 432 I C 1.850 177.976 176.117 0.015 0.000 1.181 432 I CA 1.888 63.214 61.300 0.043 0.000 1.430 432 I CB -0.124 37.951 38.000 0.124 0.000 1.367 432 I HN 2.350 nan 8.210 nan 0.000 0.577 433 G N 4.484 113.293 108.800 0.015 0.000 2.147 433 G HA2 -0.129 3.834 3.960 0.006 0.000 0.244 433 G HA3 -0.129 3.834 3.960 0.006 0.000 0.244 433 G C 0.437 175.320 174.900 -0.028 0.000 1.005 433 G CA 0.128 45.229 45.100 0.001 0.000 0.713 433 G HN 1.084 nan 8.290 nan 0.000 0.515 434 A N -0.416 122.382 122.820 -0.036 0.000 2.351 434 A HA 0.777 5.101 4.320 0.006 0.000 0.257 434 A C 1.917 179.457 177.584 -0.073 0.000 1.087 434 A CA 1.091 53.092 52.037 -0.061 0.000 0.798 434 A CB 0.271 19.235 19.000 -0.059 0.000 1.033 434 A HN 2.307 nan 8.150 nan 0.000 0.488 435 G N 0.749 109.488 108.800 -0.103 0.000 2.249 435 G HA2 -0.195 3.768 3.960 0.006 0.000 0.273 435 G HA3 -0.195 3.768 3.960 0.006 0.000 0.273 435 G C 0.548 175.317 174.900 -0.218 0.000 1.036 435 G CA 1.387 46.404 45.100 -0.139 0.000 0.824 435 G HN 2.149 nan 8.290 nan 0.000 0.504 436 T N -3.553 110.859 114.554 -0.237 0.000 3.182 436 T HA 0.555 4.909 4.350 0.006 0.000 0.277 436 T C 0.357 174.785 174.700 -0.454 0.000 1.013 436 T CA 0.278 62.191 62.100 -0.312 0.000 0.900 436 T CB 0.955 69.778 68.868 -0.076 0.000 1.098 436 T HN 0.573 nan 8.240 nan 0.000 0.543 437 V N 2.253 121.892 119.914 -0.459 0.000 2.427 437 V HA 0.613 4.737 4.120 0.006 0.000 0.286 437 V C -0.884 174.941 176.094 -0.447 0.000 1.034 437 V CA -0.806 61.307 62.300 -0.311 0.000 0.893 437 V CB 0.692 32.452 31.823 -0.105 0.000 0.982 437 V HN 0.400 nan 8.190 nan 0.000 0.452 438 F N 1.822 121.806 119.950 0.058 0.000 2.520 438 F HA 0.423 4.953 4.527 0.006 0.000 0.322 438 F C 0.416 176.246 175.800 0.049 0.000 1.103 438 F CA -0.876 57.158 58.000 0.057 0.000 0.926 438 F CB 1.567 40.611 39.000 0.072 0.000 1.154 438 F HN 0.473 nan 8.300 nan 0.000 0.453 439 E N 2.910 123.249 120.200 0.233 0.000 2.384 439 E HA 0.128 4.482 4.350 0.006 0.000 0.266 439 E C -0.272 176.404 176.600 0.125 0.000 1.012 439 E CA -0.417 56.062 56.400 0.130 0.000 0.901 439 E CB 0.648 30.403 29.700 0.091 0.000 0.967 439 E HN 0.533 nan 8.360 nan 0.000 0.435 440 R N 3.168 123.700 120.500 0.052 0.000 2.401 440 R HA 0.066 4.409 4.340 0.006 0.000 0.299 440 R C -0.374 175.988 176.300 0.104 0.000 1.064 440 R CA -0.291 55.839 56.100 0.050 0.000 1.000 440 R CB 0.489 30.734 30.300 -0.090 0.000 0.973 440 R HN 0.461 nan 8.270 nan 0.000 0.438 441 D N 1.264 121.793 120.400 0.215 0.000 2.383 441 D HA -0.061 4.583 4.640 0.006 0.000 0.248 441 D C 1.185 177.613 176.300 0.212 0.000 1.170 441 D CA -0.213 53.885 54.000 0.163 0.000 0.977 441 D CB 0.766 41.658 40.800 0.153 0.000 1.120 441 D HN 0.502 nan 8.370 nan 0.000 0.481 442 E N 0.710 120.989 120.200 0.131 0.000 2.130 442 E HA -0.217 4.136 4.350 0.006 0.000 0.196 442 E C 0.181 176.971 176.600 0.316 0.000 0.998 442 E CA 1.174 57.679 56.400 0.177 0.000 0.806 442 E CB 0.115 29.870 29.700 0.091 0.000 0.738 442 E HN 0.473 nan 8.360 nan 0.000 0.459 443 D N -0.920 119.610 120.400 0.216 0.000 2.358 443 D HA -0.083 4.560 4.640 0.006 0.000 0.224 443 D C 0.410 176.813 176.300 0.171 0.000 1.123 443 D CA -0.534 53.559 54.000 0.155 0.000 0.833 443 D CB -1.294 39.545 40.800 0.066 0.000 0.946 443 D HN 0.162 nan 8.370 nan 0.000 0.505 444 Y N 1.389 121.798 120.300 0.182 0.000 2.702 444 Y HA 0.182 4.736 4.550 0.006 0.000 0.336 444 Y C 0.125 176.048 175.900 0.038 0.000 1.235 444 Y CA 0.211 58.392 58.100 0.135 0.000 1.492 444 Y CB 0.452 39.048 38.460 0.226 0.000 1.308 444 Y HN -0.053 nan 8.280 nan 0.000 0.589 445 M N 5.210 124.330 119.600 -0.800 0.000 2.413 445 M HA 0.621 5.105 4.480 0.006 0.000 0.287 445 M C -2.103 173.810 176.300 -0.645 0.000 1.186 445 M CA -0.593 54.415 55.300 -0.486 0.000 0.927 445 M CB 2.129 34.626 32.600 -0.172 0.000 1.715 445 M HN 0.757 nan 8.290 nan 0.000 0.478 446 A N 5.310 127.886 122.820 -0.408 0.000 2.411 446 A HA 0.765 5.088 4.320 0.006 0.000 0.285 446 A C -2.717 174.710 177.584 -0.261 0.000 1.129 446 A CA -1.051 50.748 52.037 -0.398 0.000 0.736 446 A CB 1.015 19.601 19.000 -0.691 0.000 1.186 446 A HN 0.540 nan 8.150 nan 0.000 0.445 447 P HA 0.171 nan 4.420 nan 0.000 0.249 447 P C 0.012 177.247 177.300 -0.107 0.000 1.593 447 P CA 0.314 63.328 63.100 -0.144 0.000 0.896 447 P CB -0.262 31.345 31.700 -0.155 0.000 1.581 448 V N -4.822 115.035 119.914 -0.095 0.000 3.113 448 V HA 0.649 4.773 4.120 0.006 0.000 0.316 448 V C -0.038 176.025 176.094 -0.051 0.000 1.125 448 V CA -0.790 61.467 62.300 -0.073 0.000 1.026 448 V CB 1.467 33.254 31.823 -0.061 0.000 1.080 448 V HN -0.197 nan 8.190 nan 0.000 0.444 449 T N 1.683 116.179 114.554 -0.097 0.000 2.904 449 T HA 0.599 4.952 4.350 0.006 0.000 0.290 449 T C 0.617 175.247 174.700 -0.117 0.000 1.018 449 T CA 0.700 62.736 62.100 -0.108 0.000 1.075 449 T CB 0.919 69.659 68.868 -0.214 0.000 0.986 449 T HN 2.431 nan 8.240 nan 0.000 0.523 450 A N 1.518 124.325 122.820 -0.021 0.000 2.815 450 A HA -0.165 4.159 4.320 0.006 0.000 0.292 450 A C -0.044 177.603 177.584 0.106 0.000 1.457 450 A CA 0.602 52.661 52.037 0.036 0.000 0.735 450 A CB -2.516 16.444 19.000 -0.066 0.000 1.056 450 A HN 0.997 nan 8.150 nan 0.000 0.474 451 H N -1.544 117.557 119.070 0.052 0.000 2.457 451 H HA 0.666 5.225 4.556 0.006 0.000 0.335 451 H C 0.502 175.913 175.328 0.139 0.000 1.115 451 H CA -0.039 56.066 56.048 0.095 0.000 1.219 451 H CB 0.549 30.358 29.762 0.078 0.000 1.471 451 H HN 0.457 nan 8.280 nan 0.000 0.491 452 F N 2.777 122.500 119.950 -0.380 0.000 2.243 452 F HA 0.322 4.852 4.527 0.006 0.000 0.287 452 F C 1.363 177.108 175.800 -0.091 0.000 1.067 452 F CA 0.954 58.845 58.000 -0.182 0.000 1.304 452 F CB -0.354 38.541 39.000 -0.174 0.000 1.087 452 F HN 0.636 nan 8.300 nan 0.000 0.513 453 G N -0.785 107.891 108.800 -0.208 0.000 2.583 453 G HA2 -0.034 3.929 3.960 0.006 0.000 0.275 453 G HA3 -0.034 3.929 3.960 0.006 0.000 0.275 453 G C -1.252 173.654 174.900 0.010 0.000 1.342 453 G CA -0.257 44.763 45.100 -0.133 0.000 1.030 453 G HN 0.416 nan 8.290 nan 0.000 0.520 454 Y N 0.783 121.034 120.300 -0.083 0.000 2.569 454 Y HA 0.273 4.826 4.550 0.006 0.000 0.332 454 Y C -0.069 175.903 175.900 0.120 0.000 1.120 454 Y CA -0.376 57.716 58.100 -0.014 0.000 1.416 454 Y CB 0.391 38.833 38.460 -0.030 0.000 1.210 454 Y HN 0.352 nan 8.280 nan 0.000 0.528 455 N N 5.561 124.045 118.700 -0.360 0.000 2.531 455 N HA 0.124 4.868 4.740 0.006 0.000 0.268 455 N C -1.854 173.419 175.510 -0.396 0.000 1.023 455 N CA -0.650 52.284 53.050 -0.193 0.000 0.896 455 N CB 0.545 39.024 38.487 -0.013 0.000 1.233 455 N HN 0.709 nan 8.380 nan 0.000 0.512 456 N N 3.057 121.533 118.700 -0.374 0.000 2.448 456 N HA 0.142 4.886 4.740 0.006 0.000 0.250 456 N C 0.365 175.831 175.510 -0.073 0.000 1.136 456 N CA 0.010 52.911 53.050 -0.248 0.000 0.953 456 N CB 0.580 38.995 38.487 -0.119 0.000 1.251 456 N HN 0.295 nan 8.380 nan 0.000 0.502 457 V N 3.463 123.343 119.914 -0.057 0.000 3.379 457 V HA 0.046 4.170 4.120 0.006 0.000 0.249 457 V C 1.999 178.115 176.094 0.036 0.000 1.184 457 V CA 0.344 62.656 62.300 0.021 0.000 1.106 457 V CB -0.203 31.616 31.823 -0.007 0.000 0.826 457 V HN 0.583 nan 8.190 nan 0.000 0.465 458 K N 1.168 121.562 120.400 -0.010 0.000 2.049 458 K HA -0.358 3.965 4.320 0.006 0.000 0.219 458 K C 2.158 178.732 176.600 -0.044 0.000 1.056 458 K CA 2.656 58.933 56.287 -0.017 0.000 0.946 458 K CB -0.351 32.135 32.500 -0.023 0.000 0.723 458 K HN 0.730 nan 8.250 nan 0.000 0.453 459 Q N -0.881 118.859 119.800 -0.100 0.000 2.449 459 Q HA -0.224 4.120 4.340 0.006 0.000 0.214 459 Q C 0.871 176.604 176.000 -0.445 0.000 0.986 459 Q CA 1.721 57.368 55.803 -0.260 0.000 0.893 459 Q CB -0.112 28.434 28.738 -0.320 0.000 0.940 459 Q HN 0.473 nan 8.270 nan 0.000 0.477 460 Y N -0.827 119.454 120.300 -0.031 0.000 2.701 460 Y HA 0.300 4.854 4.550 0.006 0.000 0.275 460 Y C 0.062 175.946 175.900 -0.025 0.000 1.133 460 Y CA -0.219 57.862 58.100 -0.031 0.000 1.241 460 Y CB 1.107 39.542 38.460 -0.042 0.000 1.389 460 Y HN 0.096 nan 8.280 nan 0.000 0.486 461 D N -0.315 120.155 120.400 0.116 0.000 2.318 461 D HA 0.138 4.781 4.640 0.006 0.000 0.233 461 D C -0.050 176.270 176.300 0.032 0.000 1.348 461 D CA 0.059 54.095 54.000 0.060 0.000 0.983 461 D CB 0.891 41.724 40.800 0.055 0.000 1.416 461 D HN 0.037 nan 8.370 nan 0.000 0.558 462 E N 1.489 121.699 120.200 0.017 0.000 2.147 462 E HA -0.218 4.136 4.350 0.006 0.000 0.199 462 E C 1.991 178.597 176.600 0.010 0.000 1.005 462 E CA 1.920 58.326 56.400 0.008 0.000 0.810 462 E CB 0.104 29.806 29.700 0.004 0.000 0.736 462 E HN 0.573 nan 8.360 nan 0.000 0.460 463 A N 0.286 123.113 122.820 0.012 0.000 1.892 463 A HA -0.185 4.138 4.320 0.006 0.000 0.218 463 A C 1.812 179.403 177.584 0.011 0.000 1.188 463 A CA 1.345 53.388 52.037 0.011 0.000 0.631 463 A CB -0.490 18.517 19.000 0.011 0.000 0.822 463 A HN 0.202 nan 8.150 nan 0.000 0.447 464 L N 0.028 121.258 121.223 0.013 0.000 2.610 464 L HA 0.024 4.367 4.340 0.006 0.000 0.232 464 L C 2.098 178.972 176.870 0.007 0.000 1.149 464 L CA 0.527 55.373 54.840 0.010 0.000 0.872 464 L CB -0.653 41.412 42.059 0.010 0.000 0.992 464 L HN 0.180 nan 8.230 nan 0.000 0.447 465 V N -0.514 119.403 119.914 0.005 0.000 2.453 465 V HA -0.292 3.831 4.120 0.006 0.000 0.252 465 V C 2.441 178.538 176.094 0.004 0.000 1.068 465 V CA 1.954 64.253 62.300 -0.002 0.000 1.070 465 V CB -0.524 31.296 31.823 -0.005 0.000 0.664 465 V HN 0.740 nan 8.190 nan 0.000 0.461 466 S N -1.053 114.655 115.700 0.012 0.000 2.562 466 S HA 0.031 4.504 4.470 0.006 0.000 0.221 466 S C 0.756 175.373 174.600 0.029 0.000 0.975 466 S CA 0.317 58.530 58.200 0.021 0.000 0.918 466 S CB 0.032 63.246 63.200 0.024 0.000 0.772 466 S HN 0.646 nan 8.310 nan 0.000 0.531 467 E N 1.101 121.313 120.200 0.021 0.000 3.626 467 E HA 0.241 4.595 4.350 0.006 0.000 0.245 467 E C -2.486 174.116 176.600 0.004 0.000 1.236 467 E CA -1.509 54.904 56.400 0.022 0.000 1.072 467 E CB 1.445 31.160 29.700 0.026 0.000 1.309 467 E HN 0.231 nan 8.360 nan 0.000 0.400 468 P HA -0.216 nan 4.420 nan 0.000 0.217 468 P C 1.685 178.960 177.300 -0.041 0.000 1.148 468 P CA 1.468 64.551 63.100 -0.028 0.000 0.828 468 P CB 0.172 31.850 31.700 -0.036 0.000 0.783 469 S N -0.479 115.201 115.700 -0.033 0.000 2.440 469 S HA -0.200 4.274 4.470 0.006 0.000 0.240 469 S C 1.755 176.332 174.600 -0.038 0.000 1.014 469 S CA 1.109 59.284 58.200 -0.042 0.000 0.980 469 S CB -0.940 62.239 63.200 -0.035 0.000 0.775 469 S HN 0.220 nan 8.310 nan 0.000 0.499 470 K N 0.542 120.927 120.400 -0.026 0.000 2.057 470 K HA 0.042 4.366 4.320 0.006 0.000 0.206 470 K C 1.825 178.400 176.600 -0.041 0.000 1.050 470 K CA 0.965 57.238 56.287 -0.023 0.000 0.935 470 K CB -0.584 31.910 32.500 -0.010 0.000 0.715 470 K HN 0.229 nan 8.250 nan 0.000 0.439 471 L N 1.299 122.489 121.223 -0.055 0.000 2.256 471 L HA -0.213 4.130 4.340 0.006 0.000 0.218 471 L C 1.813 178.623 176.870 -0.101 0.000 1.089 471 L CA 1.747 56.533 54.840 -0.090 0.000 0.777 471 L CB -0.503 41.480 42.059 -0.126 0.000 0.890 471 L HN 0.333 nan 8.230 nan 0.000 0.439 472 I N -5.895 114.626 120.570 -0.081 0.000 3.817 472 I HA 0.290 4.463 4.170 0.006 0.000 0.325 472 I C -0.530 175.557 176.117 -0.049 0.000 1.550 472 I CA -0.340 60.916 61.300 -0.073 0.000 1.100 472 I CB 0.299 38.251 38.000 -0.080 0.000 1.216 472 I HN -0.091 nan 8.210 nan 0.000 0.481 473 D N 2.395 122.771 120.400 -0.039 0.000 2.716 473 D HA -0.103 4.540 4.640 0.006 0.000 0.239 473 D C 0.707 176.995 176.300 -0.020 0.000 1.125 473 D CA 1.787 55.772 54.000 -0.024 0.000 0.681 473 D CB -1.351 39.436 40.800 -0.021 0.000 1.070 473 D HN 1.069 nan 8.370 nan 0.000 0.432 474 G N -1.432 107.354 108.800 -0.023 0.000 2.777 474 G HA2 0.006 3.970 3.960 0.006 0.000 0.686 474 G HA3 0.006 3.970 3.960 0.006 0.000 0.686 474 G C 0.650 175.528 174.900 -0.036 0.000 1.177 474 G CA -0.256 44.832 45.100 -0.020 0.000 0.775 474 G HN 1.073 nan 8.290 nan 0.000 0.613 475 C N 0.490 119.759 119.300 -0.052 0.000 2.534 475 C HA 0.876 5.340 4.460 0.006 0.000 0.398 475 C C 2.515 177.469 174.990 -0.061 0.000 1.609 475 C CA 0.690 59.669 59.018 -0.066 0.000 1.916 475 C CB 0.680 28.362 27.740 -0.096 0.000 1.954 475 C HN 1.906 nan 8.230 nan 0.000 0.508 476 T N -0.573 113.943 114.554 -0.064 0.000 2.897 476 T HA -0.146 4.207 4.350 0.006 0.000 0.271 476 T C 1.411 176.078 174.700 -0.056 0.000 1.084 476 T CA 1.601 63.675 62.100 -0.044 0.000 1.123 476 T CB -0.750 68.100 68.868 -0.031 0.000 0.865 476 T HN 0.659 nan 8.240 nan 0.000 0.496 477 L N -0.152 120.983 121.223 -0.146 0.000 2.217 477 L HA 0.082 4.426 4.340 0.006 0.000 0.211 477 L C 2.646 179.549 176.870 0.055 0.000 1.107 477 L CA 1.267 55.977 54.840 -0.217 0.000 0.783 477 L CB -0.379 41.213 42.059 -0.777 0.000 0.919 477 L HN 0.273 nan 8.230 nan 0.000 0.442 478 E N -1.051 119.168 120.200 0.032 0.000 2.364 478 E HA 0.054 4.408 4.350 0.006 0.000 0.196 478 E C 0.056 176.689 176.600 0.054 0.000 0.990 478 E CA 0.229 56.678 56.400 0.081 0.000 0.886 478 E CB 0.806 30.538 29.700 0.053 0.000 0.866 478 E HN 0.074 nan 8.360 nan 0.000 0.493 479 V N 1.860 121.791 119.914 0.027 0.000 2.462 479 V HA 0.160 4.284 4.120 0.006 0.000 0.257 479 V C -2.152 173.951 176.094 0.014 0.000 0.944 479 V CA -1.058 61.252 62.300 0.017 0.000 0.903 479 V CB 1.232 33.057 31.823 0.004 0.000 1.128 479 V HN -0.006 nan 8.190 nan 0.000 0.486 480 P HA -0.208 nan 4.420 nan 0.000 0.218 480 P C 1.255 178.564 177.300 0.015 0.000 1.147 480 P CA 1.392 64.505 63.100 0.021 0.000 0.827 480 P CB 0.381 32.089 31.700 0.013 0.000 0.778 481 E N -0.680 119.525 120.200 0.009 0.000 2.338 481 E HA -0.121 4.233 4.350 0.006 0.000 0.197 481 E C 1.562 178.169 176.600 0.013 0.000 1.007 481 E CA 0.861 57.266 56.400 0.008 0.000 0.849 481 E CB -0.526 29.176 29.700 0.003 0.000 0.774 481 E HN 0.372 nan 8.360 nan 0.000 0.506 482 K N 0.261 120.667 120.400 0.010 0.000 2.418 482 K HA 0.102 4.425 4.320 0.006 0.000 0.195 482 K C 0.293 176.905 176.600 0.020 0.000 1.035 482 K CA 0.156 56.448 56.287 0.009 0.000 1.003 482 K CB 0.232 32.730 32.500 -0.003 0.000 0.793 482 K HN 0.180 nan 8.250 nan 0.000 0.494 483 I N 2.648 123.237 120.570 0.033 0.000 2.598 483 I HA -0.041 4.132 4.170 0.006 0.000 0.284 483 I C 0.138 176.302 176.117 0.078 0.000 1.140 483 I CA -0.203 61.130 61.300 0.054 0.000 1.420 483 I CB 0.688 38.731 38.000 0.073 0.000 1.387 483 I HN -0.233 nan 8.210 nan 0.000 0.553 484 V N 7.886 127.844 119.914 0.074 0.000 2.461 484 V HA 0.014 4.137 4.120 0.006 0.000 0.275 484 V C -0.301 175.873 176.094 0.133 0.000 1.047 484 V CA -0.361 61.991 62.300 0.086 0.000 0.955 484 V CB 0.764 32.613 31.823 0.044 0.000 0.988 484 V HN 0.434 nan 8.190 nan 0.000 0.471 485 Y N 6.434 126.748 120.300 0.023 0.000 2.434 485 Y HA 0.497 5.050 4.550 0.005 0.000 0.341 485 Y C -0.137 175.777 175.900 0.024 0.000 0.965 485 Y CA -1.187 56.930 58.100 0.029 0.000 1.205 485 Y CB 0.588 39.069 38.460 0.036 0.000 1.121 485 Y HN 0.431 nan 8.280 nan 0.000 0.507 486 I N 6.305 126.638 120.570 -0.395 0.000 2.325 486 I HA 0.075 4.249 4.170 0.006 0.000 0.291 486 I C 0.788 176.547 176.117 -0.596 0.000 1.019 486 I CA -0.194 60.894 61.300 -0.353 0.000 1.302 486 I CB 1.001 38.886 38.000 -0.191 0.000 1.401 486 I HN 0.733 nan 8.210 nan 0.000 0.485 487 D N 5.023 125.193 120.400 -0.383 0.000 2.165 487 D HA 0.012 4.655 4.640 0.006 0.000 0.213 487 D C 0.250 176.469 176.300 -0.135 0.000 0.983 487 D CA 1.481 55.324 54.000 -0.262 0.000 0.881 487 D CB 0.694 41.486 40.800 -0.013 0.000 1.028 487 D HN 0.523 nan 8.370 nan 0.000 0.457 488 E N -0.561 119.596 120.200 -0.072 0.000 2.416 488 E HA 0.331 4.685 4.350 0.006 0.000 0.273 488 E C -0.035 176.540 176.600 -0.041 0.000 0.935 488 E CA -0.474 55.900 56.400 -0.043 0.000 0.784 488 E CB 2.122 31.817 29.700 -0.008 0.000 1.301 488 E HN 0.120 nan 8.360 nan 0.000 0.454 489 L N -0.349 120.854 121.223 -0.034 0.000 3.076 489 L HA 0.251 4.594 4.340 0.006 0.000 0.271 489 L C 0.108 176.965 176.870 -0.023 0.000 1.152 489 L CA 0.172 54.992 54.840 -0.033 0.000 0.996 489 L CB 0.873 42.906 42.059 -0.042 0.000 1.453 489 L HN 0.363 nan 8.230 nan 0.000 0.571 490 D N 0.429 120.819 120.400 -0.016 0.000 2.481 490 D HA 0.134 4.777 4.640 0.006 0.000 0.246 490 D C 0.254 176.551 176.300 -0.005 0.000 1.109 490 D CA -0.087 53.906 54.000 -0.011 0.000 0.845 490 D CB 2.386 43.180 40.800 -0.010 0.000 1.160 490 D HN -0.098 nan 8.370 nan 0.000 0.534 491 E N 1.957 122.154 120.200 -0.005 0.000 2.268 491 E HA -0.078 4.276 4.350 0.006 0.000 0.195 491 E C 0.827 177.426 176.600 -0.002 0.000 0.995 491 E CA 1.221 57.620 56.400 -0.002 0.000 0.836 491 E CB 0.242 29.940 29.700 -0.002 0.000 0.763 491 E HN 0.522 nan 8.360 nan 0.000 0.491 492 N N -0.876 117.821 118.700 -0.004 0.000 2.545 492 N HA -0.028 4.715 4.740 0.006 0.000 0.190 492 N C -0.105 175.400 175.510 -0.008 0.000 1.043 492 N CA 0.091 53.138 53.050 -0.006 0.000 0.879 492 N CB 0.496 38.980 38.487 -0.006 0.000 1.210 492 N HN -0.103 nan 8.380 nan 0.000 0.437 493 D N 1.306 121.703 120.400 -0.005 0.000 2.517 493 D HA 0.123 4.767 4.640 0.006 0.000 0.220 493 D C -1.149 175.154 176.300 0.006 0.000 1.158 493 D CA -0.026 53.972 54.000 -0.003 0.000 0.992 493 D CB -0.635 40.166 40.800 0.001 0.000 1.058 493 D HN 0.383 nan 8.370 nan 0.000 0.516 494 N N -0.756 117.946 118.700 0.004 0.000 3.020 494 N HA 0.051 4.795 4.740 0.006 0.000 0.248 494 N C 0.299 175.818 175.510 0.014 0.000 1.480 494 N CA -0.851 52.214 53.050 0.026 0.000 0.874 494 N CB 0.819 39.326 38.487 0.033 0.000 1.433 494 N HN -0.166 nan 8.380 nan 0.000 0.530 495 V N 0.438 120.385 119.914 0.054 0.000 2.282 495 V HA -0.279 3.845 4.120 0.006 0.000 0.249 495 V C 1.245 177.321 176.094 -0.030 0.000 1.057 495 V CA 2.329 64.634 62.300 0.009 0.000 1.032 495 V CB -0.944 30.938 31.823 0.098 0.000 0.645 495 V HN 0.692 nan 8.190 nan 0.000 0.447 496 N N -0.053 118.648 118.700 0.002 0.000 2.142 496 N HA -0.103 4.641 4.740 0.006 0.000 0.186 496 N C 1.760 177.257 175.510 -0.021 0.000 1.023 496 N CA 1.733 54.779 53.050 -0.007 0.000 0.852 496 N CB -0.613 37.881 38.487 0.011 0.000 0.998 496 N HN 0.466 nan 8.380 nan 0.000 0.424 497 V N 1.724 121.626 119.914 -0.020 0.000 2.343 497 V HA -0.173 3.950 4.120 0.006 0.000 0.247 497 V C 2.468 178.533 176.094 -0.048 0.000 1.051 497 V CA 1.432 63.716 62.300 -0.027 0.000 1.036 497 V CB -0.457 31.352 31.823 -0.023 0.000 0.654 497 V HN 0.250 nan 8.190 nan 0.000 0.451 498 R N -0.910 119.547 120.500 -0.072 0.000 2.120 498 R HA -0.074 4.269 4.340 0.006 0.000 0.234 498 R C 2.220 178.451 176.300 -0.115 0.000 1.123 498 R CA 1.351 57.380 56.100 -0.118 0.000 0.975 498 R CB -0.158 30.040 30.300 -0.170 0.000 0.866 498 R HN 0.443 nan 8.270 nan 0.000 0.446 499 M N -0.439 119.108 119.600 -0.090 0.000 2.435 499 M HA -0.055 4.428 4.480 0.006 0.000 0.265 499 M C 1.980 178.255 176.300 -0.042 0.000 1.104 499 M CA 0.784 56.037 55.300 -0.079 0.000 1.140 499 M CB -0.106 32.449 32.600 -0.075 0.000 1.372 499 M HN 0.060 nan 8.290 nan 0.000 0.456 500 E N 1.393 121.576 120.200 -0.029 0.000 2.072 500 E HA -0.185 4.169 4.350 0.006 0.000 0.191 500 E C 1.337 177.934 176.600 -0.004 0.000 0.985 500 E CA 1.091 57.485 56.400 -0.011 0.000 0.801 500 E CB -0.071 29.625 29.700 -0.007 0.000 0.750 500 E HN 0.424 nan 8.360 nan 0.000 0.452 501 E N -0.131 120.058 120.200 -0.019 0.000 2.501 501 E HA -0.112 4.242 4.350 0.006 0.000 0.203 501 E C 0.323 176.925 176.600 0.003 0.000 1.072 501 E CA 1.223 57.616 56.400 -0.012 0.000 0.885 501 E CB 0.051 29.731 29.700 -0.034 0.000 0.813 501 E HN 0.289 nan 8.360 nan 0.000 0.556 502 T N -4.704 109.855 114.554 0.008 0.000 3.209 502 T HA 0.203 4.557 4.350 0.006 0.000 0.295 502 T C 1.516 176.278 174.700 0.104 0.000 0.977 502 T CA 0.285 62.416 62.100 0.052 0.000 0.922 502 T CB 0.596 69.445 68.868 -0.032 0.000 1.152 502 T HN 0.058 nan 8.240 nan 0.000 0.527 503 K N 1.818 122.256 120.400 0.063 0.000 2.059 503 K HA -0.022 4.301 4.320 0.006 0.000 0.212 503 K C 1.755 178.402 176.600 0.079 0.000 1.050 503 K CA 2.132 58.452 56.287 0.055 0.000 0.927 503 K CB -1.930 30.588 32.500 0.030 0.000 0.714 503 K HN 0.868 nan 8.250 nan 0.000 0.447 504 E N -0.906 119.352 120.200 0.096 0.000 2.778 504 E HA 0.446 4.800 4.350 0.006 0.000 0.318 504 E C 0.194 176.859 176.600 0.107 0.000 1.309 504 E CA 0.220 56.658 56.400 0.064 0.000 1.419 504 E CB -1.318 28.415 29.700 0.054 0.000 1.150 504 E HN 0.643 nan 8.360 nan 0.000 0.492 505 F N -1.525 118.419 119.950 -0.008 0.000 3.212 505 F HA 0.185 4.715 4.527 0.004 0.000 0.320 505 F C 0.388 176.181 175.800 -0.011 0.000 1.265 505 F CA -0.320 57.675 58.000 -0.008 0.000 0.816 505 F CB 0.486 39.481 39.000 -0.008 0.000 1.725 505 F HN 0.234 nan 8.300 nan 0.000 0.476 510 M N 1.426 120.856 119.600 -0.282 0.000 2.055 510 M HA 0.535 5.018 4.480 0.006 0.000 0.279 510 M C -0.328 175.845 176.300 -0.212 0.000 1.236 510 M CA 0.039 55.151 55.300 -0.314 0.000 1.074 510 M CB 0.261 32.550 32.600 -0.520 0.000 1.394 510 M HN 0.422 nan 8.290 nan 0.000 0.492 511 I N 0.582 121.142 120.570 -0.017 0.000 2.710 511 I HA 0.268 4.442 4.170 0.006 0.000 0.290 511 I C -1.158 175.126 176.117 0.279 0.000 1.318 511 I CA -0.228 61.209 61.300 0.228 0.000 1.045 511 I CB 1.584 39.652 38.000 0.114 0.000 1.307 511 I HN 0.642 nan 8.210 nan 0.000 0.424 512 K N 6.077 126.693 120.400 0.360 0.000 2.482 512 K HA 0.821 5.144 4.320 0.006 0.000 0.257 512 K C -3.017 173.607 176.600 0.039 0.000 0.969 512 K CA -1.885 54.500 56.287 0.163 0.000 0.842 512 K CB 1.424 34.020 32.500 0.160 0.000 1.359 512 K HN 0.102 nan 8.250 nan 0.000 0.441 513 P HA 0.014 nan 4.420 nan 0.000 0.268 513 P C -1.242 175.975 177.300 -0.139 0.000 1.205 513 P CA 0.007 63.062 63.100 -0.075 0.000 0.771 513 P CB 0.520 32.162 31.700 -0.097 0.000 0.858 514 E N 0.409 120.515 120.200 -0.157 0.000 2.369 514 E HA 0.425 4.779 4.350 0.006 0.000 0.270 514 E C -0.200 176.181 176.600 -0.366 0.000 0.909 514 E CA -1.014 55.251 56.400 -0.225 0.000 0.775 514 E CB 1.733 31.357 29.700 -0.128 0.000 1.270 514 E HN 0.159 nan 8.360 nan 0.000 0.445 515 V N -1.302 118.271 119.914 -0.568 0.000 3.570 515 V HA 0.205 4.328 4.120 0.006 0.000 0.257 515 V C 1.015 176.557 176.094 -0.921 0.000 1.272 515 V CA 1.407 63.210 62.300 -0.829 0.000 1.079 515 V CB -0.517 30.370 31.823 -1.559 0.000 0.829 515 V HN 0.907 nan 8.190 nan 0.000 0.454 516 E N -2.226 117.545 120.200 -0.715 0.000 3.297 516 E HA 0.125 4.478 4.350 0.006 0.000 0.232 516 E C -0.001 176.570 176.600 -0.048 0.000 1.143 516 E CA -0.474 55.591 56.400 -0.559 0.000 1.741 516 E CB 0.117 29.519 29.700 -0.497 0.000 1.925 516 E HN 0.421 nan 8.360 nan 0.000 0.924 517 W N 3.309 124.514 121.300 -0.159 0.000 2.496 517 W HA 0.457 5.119 4.660 0.005 0.000 0.327 517 W C 0.238 176.674 176.519 -0.138 0.000 1.086 517 W CA -1.646 55.637 57.345 -0.104 0.000 1.222 517 W CB 1.040 30.437 29.460 -0.105 0.000 1.304 517 W HN 0.175 nan 8.180 nan 0.000 0.547 518 Q N 1.807 121.662 119.800 0.092 0.000 2.398 518 Q HA 0.160 4.504 4.340 0.006 0.000 0.329 518 Q C 1.051 176.922 176.000 -0.215 0.000 1.079 518 Q CA 1.610 57.367 55.803 -0.076 0.000 1.041 518 Q CB 0.275 28.937 28.738 -0.127 0.000 1.084 518 Q HN 0.707 nan 8.270 nan 0.000 0.386 519 A N 3.849 126.487 122.820 -0.304 0.000 2.799 519 A HA -0.255 4.069 4.320 0.006 0.000 0.287 519 A C 0.570 178.006 177.584 -0.247 0.000 1.484 519 A CA 1.244 53.026 52.037 -0.426 0.000 0.813 519 A CB -1.933 16.437 19.000 -1.050 0.000 1.009 519 A HN 1.026 nan 8.150 nan 0.000 0.545 520 D N -1.662 118.643 120.400 -0.160 0.000 2.312 520 D HA 0.287 4.931 4.640 0.006 0.000 0.211 520 D C 1.653 177.858 176.300 -0.158 0.000 0.964 520 D CA 1.304 55.232 54.000 -0.119 0.000 0.877 520 D CB -0.682 40.052 40.800 -0.109 0.000 0.924 520 D HN 1.876 nan 8.370 nan 0.000 0.515 521 G N -0.792 107.899 108.800 -0.181 0.000 2.179 521 G HA2 -0.282 3.681 3.960 0.006 0.000 0.260 521 G HA3 -0.282 3.681 3.960 0.006 0.000 0.260 521 G C 0.428 175.200 174.900 -0.213 0.000 0.977 521 G CA 0.528 45.521 45.100 -0.178 0.000 0.641 521 G HN 0.514 nan 8.290 nan 0.000 0.533 522 T N 0.866 115.252 114.554 -0.280 0.000 2.919 522 T HA 0.550 4.904 4.350 0.006 0.000 0.302 522 T C 0.464 174.941 174.700 -0.371 0.000 1.031 522 T CA 0.487 62.384 62.100 -0.337 0.000 1.127 522 T CB 2.018 70.609 68.868 -0.461 0.000 0.952 522 T HN 1.543 nan 8.240 nan 0.000 0.540 523 V N 1.331 121.092 119.914 -0.254 0.000 3.114 523 V HA 0.858 4.982 4.120 0.006 0.000 0.308 523 V C -1.310 174.788 176.094 0.006 0.000 1.168 523 V CA -1.333 60.877 62.300 -0.150 0.000 1.015 523 V CB 1.963 33.739 31.823 -0.078 0.000 1.050 523 V HN 0.701 nan 8.190 nan 0.000 0.433 524 L N 2.977 124.281 121.223 0.134 0.000 2.334 524 L HA 0.894 5.237 4.340 0.006 0.000 0.276 524 L C -1.051 175.901 176.870 0.137 0.000 1.014 524 L CA -0.591 54.397 54.840 0.247 0.000 0.815 524 L CB 1.556 43.880 42.059 0.442 0.000 1.268 524 L HN 0.931 nan 8.230 nan 0.000 0.428 525 L N 3.946 125.234 121.223 0.108 0.000 2.381 525 L HA 0.713 5.057 4.340 0.006 0.000 0.274 525 L C -0.911 175.994 176.870 0.058 0.000 0.988 525 L CA 0.249 55.131 54.840 0.070 0.000 0.824 525 L CB 2.095 44.187 42.059 0.055 0.000 1.263 525 L HN 0.713 nan 8.230 nan 0.000 0.410 526 T N 6.694 121.278 114.554 0.049 0.000 2.829 526 T HA 0.804 5.157 4.350 0.006 0.000 0.280 526 T C -0.385 174.334 174.700 0.032 0.000 0.999 526 T CA -0.468 61.658 62.100 0.042 0.000 0.983 526 T CB 1.322 70.219 68.868 0.049 0.000 0.968 526 T HN 0.755 nan 8.240 nan 0.000 0.446 527 M N 1.583 121.204 119.600 0.034 0.000 2.682 527 M HA 0.767 5.251 4.480 0.006 0.000 0.272 527 M C -2.078 174.277 176.300 0.091 0.000 1.232 527 M CA -1.177 54.143 55.300 0.033 0.000 0.849 527 M CB 2.122 34.696 32.600 -0.042 0.000 1.695 527 M HN 0.491 nan 8.290 nan 0.000 0.481 528 F N 2.501 122.417 119.950 -0.056 0.000 2.467 528 F HA 0.795 5.326 4.527 0.006 0.000 0.336 528 F C -2.181 173.591 175.800 -0.047 0.000 1.123 528 F CA -0.711 57.265 58.000 -0.039 0.000 0.964 528 F CB 1.427 40.408 39.000 -0.031 0.000 1.136 528 F HN 0.590 nan 8.300 nan 0.000 0.447 529 L N 7.980 128.709 121.223 -0.823 0.000 2.349 529 L HA 0.441 4.785 4.340 0.006 0.000 0.278 529 L C -2.248 174.100 176.870 -0.869 0.000 0.996 529 L CA -2.061 52.415 54.840 -0.607 0.000 0.825 529 L CB 2.105 44.019 42.059 -0.242 0.000 1.243 529 L HN 0.472 nan 8.230 nan 0.000 0.412 530 P HA 0.052 nan 4.420 nan 0.000 0.235 530 P C -0.240 176.972 177.300 -0.147 0.000 1.720 530 P CA 0.450 63.379 63.100 -0.285 0.000 1.003 530 P CB 0.033 31.738 31.700 0.008 0.000 1.968 531 T N -1.203 113.241 114.554 -0.183 0.000 2.711 531 T HA 0.443 4.797 4.350 0.006 0.000 0.302 531 T C -0.558 174.106 174.700 -0.060 0.000 1.373 531 T CA -0.432 61.621 62.100 -0.077 0.000 1.000 531 T CB 0.630 69.469 68.868 -0.047 0.000 1.483 531 T HN 0.045 nan 8.240 nan 0.000 0.499 532 S N 1.114 116.802 115.700 -0.020 0.000 2.580 532 S HA 0.201 4.674 4.470 0.006 0.000 0.266 532 S C 1.347 175.944 174.600 -0.005 0.000 1.354 532 S CA 0.247 58.445 58.200 -0.005 0.000 1.008 532 S CB 0.529 63.736 63.200 0.011 0.000 0.898 532 S HN 0.996 nan 8.310 nan 0.000 0.555 533 K N 0.983 121.386 120.400 0.005 0.000 2.116 533 K HA -0.049 4.274 4.320 0.006 0.000 0.203 533 K C 2.211 178.828 176.600 0.029 0.000 1.052 533 K CA 0.679 56.968 56.287 0.003 0.000 0.952 533 K CB -0.243 32.258 32.500 0.001 0.000 0.729 533 K HN 0.626 nan 8.250 nan 0.000 0.446 534 R N 1.155 121.693 120.500 0.063 0.000 2.075 534 R HA -0.067 4.277 4.340 0.006 0.000 0.232 534 R C 2.067 178.505 176.300 0.229 0.000 1.126 534 R CA 1.354 57.538 56.100 0.139 0.000 0.963 534 R CB -0.211 30.170 30.300 0.136 0.000 0.858 534 R HN 0.103 nan 8.270 nan 0.000 0.435 535 V N 1.089 121.091 119.914 0.146 0.000 2.307 535 V HA -0.203 3.920 4.120 0.006 0.000 0.245 535 V C 2.475 178.645 176.094 0.127 0.000 1.045 535 V CA 1.876 64.264 62.300 0.147 0.000 1.024 535 V CB -0.836 31.028 31.823 0.069 0.000 0.651 535 V HN 0.563 nan 8.190 nan 0.000 0.449 536 A N -0.363 122.488 122.820 0.051 0.000 1.948 536 A HA -0.335 3.988 4.320 0.006 0.000 0.220 536 A C 2.288 179.876 177.584 0.005 0.000 1.177 536 A CA 2.335 54.374 52.037 0.003 0.000 0.636 536 A CB -0.558 18.406 19.000 -0.060 0.000 0.815 536 A HN 0.679 nan 8.150 nan 0.000 0.449 537 E N -1.375 118.814 120.200 -0.018 0.000 2.047 537 E HA -0.166 4.188 4.350 0.006 0.000 0.191 537 E C 1.642 178.114 176.600 -0.214 0.000 0.987 537 E CA 1.284 57.591 56.400 -0.154 0.000 0.799 537 E CB -0.201 29.336 29.700 -0.273 0.000 0.752 537 E HN 0.635 nan 8.360 nan 0.000 0.449 538 F N 0.570 120.527 119.950 0.012 0.000 2.234 538 F HA 0.077 4.607 4.527 0.005 0.000 0.296 538 F C 2.401 178.209 175.800 0.014 0.000 1.089 538 F CA 0.846 58.851 58.000 0.009 0.000 1.343 538 F CB -0.441 38.558 39.000 -0.003 0.000 1.040 538 F HN 0.101 nan 8.300 nan 0.000 0.498 539 A N 0.270 123.200 122.820 0.185 0.000 1.940 539 A HA -0.133 4.191 4.320 0.006 0.000 0.219 539 A C 2.419 180.131 177.584 0.212 0.000 1.176 539 A CA 1.792 53.912 52.037 0.137 0.000 0.631 539 A CB -1.278 17.820 19.000 0.163 0.000 0.814 539 A HN 0.307 nan 8.150 nan 0.000 0.446 540 A N 0.143 123.067 122.820 0.174 0.000 1.908 540 A HA -0.106 4.218 4.320 0.006 0.000 0.218 540 A C 2.008 179.668 177.584 0.128 0.000 1.181 540 A CA 1.696 53.831 52.037 0.164 0.000 0.627 540 A CB -0.504 18.522 19.000 0.043 0.000 0.818 540 A HN 0.448 nan 8.150 nan 0.000 0.445 541 I N -0.229 120.372 120.570 0.052 0.000 2.252 541 I HA -0.151 4.023 4.170 0.006 0.000 0.245 541 I C 2.367 178.520 176.117 0.060 0.000 1.102 541 I CA 1.225 62.546 61.300 0.035 0.000 1.385 541 I CB -1.530 36.474 38.000 0.006 0.000 1.064 541 I HN 0.294 nan 8.210 nan 0.000 0.414 542 E N 0.775 121.002 120.200 0.044 0.000 2.077 542 E HA -0.183 4.170 4.350 0.006 0.000 0.193 542 E C 2.243 178.811 176.600 -0.053 0.000 0.989 542 E CA 1.174 57.555 56.400 -0.031 0.000 0.800 542 E CB -0.414 29.223 29.700 -0.104 0.000 0.746 542 E HN 0.356 nan 8.360 nan 0.000 0.452 543 F N 1.150 121.115 119.950 0.024 0.000 2.069 543 F HA -0.234 4.296 4.527 0.005 0.000 0.298 543 F C 2.482 178.296 175.800 0.023 0.000 1.113 543 F CA 1.323 59.336 58.000 0.023 0.000 1.214 543 F CB -1.018 37.993 39.000 0.018 0.000 0.978 543 F HN 0.018 nan 8.300 nan 0.000 0.474 544 A N -0.131 122.812 122.820 0.205 0.000 1.903 544 A HA -0.293 4.031 4.320 0.006 0.000 0.219 544 A C 2.223 179.857 177.584 0.084 0.000 1.191 544 A CA 2.308 54.415 52.037 0.118 0.000 0.638 544 A CB -0.803 18.244 19.000 0.078 0.000 0.823 544 A HN 0.401 nan 8.150 nan 0.000 0.451 545 K N -0.550 119.888 120.400 0.064 0.000 2.057 545 K HA -0.094 4.230 4.320 0.006 0.000 0.207 545 K C 1.970 178.600 176.600 0.051 0.000 1.049 545 K CA 1.277 57.591 56.287 0.045 0.000 0.931 545 K CB -0.111 32.406 32.500 0.028 0.000 0.714 545 K HN 0.237 nan 8.250 nan 0.000 0.440 546 K N 0.450 120.880 120.400 0.050 0.000 2.281 546 K HA -0.077 4.247 4.320 0.006 0.000 0.203 546 K C 1.652 178.306 176.600 0.089 0.000 1.046 546 K CA 1.171 57.491 56.287 0.055 0.000 0.938 546 K CB -0.030 32.491 32.500 0.036 0.000 0.737 546 K HN 0.301 nan 8.250 nan 0.000 0.458 547 M N 0.498 120.162 119.600 0.108 0.000 2.494 547 M HA 0.030 4.514 4.480 0.006 0.000 0.232 547 M C -0.503 175.864 176.300 0.111 0.000 1.137 547 M CA 0.104 55.472 55.300 0.112 0.000 1.012 547 M CB 0.050 32.718 32.600 0.113 0.000 1.567 547 M HN 0.054 nan 8.290 nan 0.000 0.486 548 N N 0.350 119.108 118.700 0.097 0.000 2.937 548 N HA -0.112 4.632 4.740 0.006 0.000 0.248 548 N C -0.871 174.661 175.510 0.037 0.000 1.069 548 N CA 0.585 53.697 53.050 0.103 0.000 0.822 548 N CB -1.782 36.833 38.487 0.214 0.000 1.122 548 N HN 0.358 nan 8.380 nan 0.000 0.554 549 L N 1.156 122.392 121.223 0.022 0.000 2.281 549 L HA 0.457 4.800 4.340 0.006 0.000 0.285 549 L C 1.247 178.107 176.870 -0.016 0.000 1.074 549 L CA -0.132 54.697 54.840 -0.018 0.000 0.817 549 L CB 0.625 42.683 42.059 -0.002 0.000 1.168 549 L HN 0.243 nan 8.230 nan 0.000 0.434 550 E N 1.882 122.057 120.200 -0.041 0.000 2.349 550 E HA 0.481 4.835 4.350 0.006 0.000 0.262 550 E C 0.816 177.401 176.600 -0.025 0.000 1.088 550 E CA 0.097 56.481 56.400 -0.027 0.000 0.899 550 E CB 0.551 30.230 29.700 -0.034 0.000 1.044 550 E HN 0.832 nan 8.360 nan 0.000 0.420 551 E N -1.103 119.090 120.200 -0.013 0.000 2.513 551 E HA -0.080 4.273 4.350 0.006 0.000 0.257 551 E C 0.270 176.865 176.600 -0.008 0.000 1.098 551 E CA 0.781 57.174 56.400 -0.011 0.000 0.752 551 E CB -2.816 26.872 29.700 -0.021 0.000 1.324 551 E HN 1.387 nan 8.360 nan 0.000 0.403 552 V N 0.833 120.746 119.914 -0.002 0.000 2.425 552 V HA 0.366 4.490 4.120 0.006 0.000 0.276 552 V C 0.638 176.727 176.094 -0.008 0.000 1.017 552 V CA 0.891 63.191 62.300 0.001 0.000 1.062 552 V CB 0.504 32.333 31.823 0.009 0.000 0.997 552 V HN 0.568 nan 8.190 nan 0.000 0.476 553 E N 3.966 124.161 120.200 -0.008 0.000 2.224 553 E HA 0.460 4.814 4.350 0.006 0.000 0.265 553 E C -1.050 175.532 176.600 -0.030 0.000 0.878 553 E CA -0.923 55.462 56.400 -0.024 0.000 0.759 553 E CB 2.362 32.054 29.700 -0.012 0.000 1.164 553 E HN 0.375 nan 8.360 nan 0.000 0.414 554 V N 4.552 124.424 119.914 -0.070 0.000 2.529 554 V HA -0.013 4.111 4.120 0.006 0.000 0.292 554 V C 1.092 177.150 176.094 -0.060 0.000 1.028 554 V CA 0.704 62.959 62.300 -0.075 0.000 1.074 554 V CB 0.009 31.752 31.823 -0.134 0.000 0.958 554 V HN 0.751 nan 8.190 nan 0.000 0.481 555 I N 0.984 121.526 120.570 -0.047 0.000 4.240 555 I HA 0.523 4.696 4.170 0.006 0.000 0.331 555 I C 0.265 176.340 176.117 -0.070 0.000 1.381 555 I CA 0.015 61.282 61.300 -0.055 0.000 1.136 555 I CB 0.684 38.654 38.000 -0.049 0.000 1.137 555 I HN 0.597 nan 8.210 nan 0.000 0.411 556 N N 1.839 120.502 118.700 -0.061 0.000 2.521 556 N HA 0.435 5.179 4.740 0.006 0.000 0.269 556 N C -1.697 173.787 175.510 -0.044 0.000 1.079 556 N CA -0.400 52.615 53.050 -0.058 0.000 0.980 556 N CB 1.816 40.262 38.487 -0.068 0.000 1.667 556 N HN 0.150 nan 8.380 nan 0.000 0.498 557 R N 1.598 122.075 120.500 -0.038 0.000 2.476 557 R HA 0.479 4.823 4.340 0.006 0.000 0.305 557 R C -0.902 175.390 176.300 -0.014 0.000 0.965 557 R CA -0.610 55.474 56.100 -0.027 0.000 0.867 557 R CB 1.731 32.012 30.300 -0.031 0.000 1.176 557 R HN 0.424 nan 8.270 nan 0.000 0.447 558 E N 2.011 122.211 120.200 -0.000 0.000 2.176 558 E HA 0.252 4.605 4.350 0.006 0.000 0.267 558 E C -0.713 175.905 176.600 0.029 0.000 0.893 558 E CA -0.971 55.435 56.400 0.011 0.000 0.761 558 E CB 2.738 32.445 29.700 0.012 0.000 1.133 558 E HN 0.138 nan 8.360 nan 0.000 0.409 559 V N 5.447 125.376 119.914 0.025 0.000 2.397 559 V HA -0.065 4.058 4.120 0.006 0.000 0.262 559 V C 1.216 177.344 176.094 0.057 0.000 1.047 559 V CA 0.174 62.495 62.300 0.036 0.000 1.003 559 V CB 0.295 32.132 31.823 0.024 0.000 1.037 559 V HN 0.784 nan 8.190 nan 0.000 0.480 560 M N 2.288 121.949 119.600 0.101 0.000 2.059 560 M HA -0.006 4.478 4.480 0.006 0.000 0.259 560 M C 0.877 177.228 176.300 0.084 0.000 1.072 560 M CA 1.617 56.988 55.300 0.119 0.000 1.117 560 M CB -0.491 32.255 32.600 0.243 0.000 1.320 560 M HN 0.640 nan 8.290 nan 0.000 0.408 561 Q N -0.197 119.657 119.800 0.089 0.000 2.327 561 Q HA 0.107 4.451 4.340 0.006 0.000 0.265 561 Q C 0.111 176.141 176.000 0.049 0.000 0.993 561 Q CA -0.010 55.828 55.803 0.058 0.000 0.885 561 Q CB 2.050 30.822 28.738 0.056 0.000 1.379 561 Q HN 0.460 nan 8.270 nan 0.000 0.408 562 E N 2.682 122.902 120.200 0.033 0.000 2.245 562 E HA -0.341 4.013 4.350 0.006 0.000 0.217 562 E C 0.675 177.289 176.600 0.023 0.000 1.069 562 E CA 2.607 59.022 56.400 0.025 0.000 0.877 562 E CB 0.242 29.953 29.700 0.019 0.000 0.757 562 E HN 0.616 nan 8.360 nan 0.000 0.464 563 A N -0.397 122.441 122.820 0.029 0.000 2.085 563 A HA 0.059 4.383 4.320 0.006 0.000 0.208 563 A C 1.810 179.416 177.584 0.036 0.000 1.191 563 A CA 0.187 52.240 52.037 0.026 0.000 0.799 563 A CB 0.166 19.181 19.000 0.025 0.000 0.877 563 A HN 0.117 nan 8.150 nan 0.000 0.473 564 E N -0.033 120.204 120.200 0.062 0.000 2.285 564 E HA 0.230 4.583 4.350 0.006 0.000 0.194 564 E C 0.876 177.574 176.600 0.163 0.000 0.997 564 E CA 1.019 57.483 56.400 0.107 0.000 0.845 564 E CB 0.223 29.994 29.700 0.119 0.000 0.782 564 E HN 0.615 nan 8.360 nan 0.000 0.491 565 G N -0.886 107.970 108.800 0.092 0.000 2.350 565 G HA2 0.181 4.144 3.960 0.006 0.000 0.304 565 G HA3 0.181 4.144 3.960 0.006 0.000 0.304 565 G C -1.066 173.811 174.900 -0.038 0.000 1.421 565 G CA -0.628 44.414 45.100 -0.095 0.000 0.934 565 G HN -0.076 nan 8.290 nan 0.000 0.632 566 T N 0.063 114.445 114.554 -0.286 0.000 2.933 566 T HA 0.606 4.960 4.350 0.006 0.000 0.305 566 T C -0.235 174.430 174.700 -0.058 0.000 1.092 566 T CA -0.699 61.350 62.100 -0.084 0.000 1.008 566 T CB 2.000 70.815 68.868 -0.089 0.000 1.102 566 T HN 0.730 nan 8.240 nan 0.000 0.469 567 R N 3.298 123.841 120.500 0.072 0.000 2.297 567 R HA 0.621 4.965 4.340 0.006 0.000 0.308 567 R C -0.996 175.316 176.300 0.021 0.000 1.029 567 R CA -0.462 55.694 56.100 0.094 0.000 0.929 567 R CB 0.375 30.743 30.300 0.114 0.000 1.046 567 R HN 0.451 nan 8.270 nan 0.000 0.461 568 I N 3.151 123.728 120.570 0.012 0.000 2.582 568 I HA 0.343 4.516 4.170 0.006 0.000 0.292 568 I C -0.656 175.462 176.117 0.002 0.000 1.066 568 I CA -0.708 60.586 61.300 -0.010 0.000 1.053 568 I CB 2.129 40.113 38.000 -0.027 0.000 1.241 568 I HN 0.729 nan 8.210 nan 0.000 0.421 569 E N 4.956 125.151 120.200 -0.008 0.000 2.234 569 E HA 0.692 5.045 4.350 0.006 0.000 0.266 569 E C -1.545 175.061 176.600 0.009 0.000 0.877 569 E CA -0.715 55.688 56.400 0.006 0.000 0.758 569 E CB 2.999 32.695 29.700 -0.007 0.000 1.170 569 E HN 0.240 nan 8.360 nan 0.000 0.415 570 L N 2.708 123.954 121.223 0.039 0.000 2.381 570 L HA 0.419 4.763 4.340 0.006 0.000 0.268 570 L C -0.707 176.220 176.870 0.095 0.000 0.997 570 L CA -0.729 54.138 54.840 0.045 0.000 0.818 570 L CB 1.725 43.804 42.059 0.034 0.000 1.310 570 L HN 0.395 nan 8.230 nan 0.000 0.416 571 K N 0.781 121.240 120.400 0.099 0.000 2.164 571 K HA 0.944 5.268 4.320 0.006 0.000 0.258 571 K C -0.359 176.266 176.600 0.042 0.000 0.951 571 K CA -0.797 55.565 56.287 0.124 0.000 0.844 571 K CB 2.184 34.812 32.500 0.214 0.000 1.099 571 K HN 0.640 nan 8.250 nan 0.000 0.435 572 G N 1.343 110.144 108.800 0.003 0.000 2.704 572 G HA2 0.421 4.385 3.960 0.006 0.000 0.293 572 G HA3 0.421 4.385 3.960 0.006 0.000 0.293 572 G C -1.764 173.089 174.900 -0.078 0.000 1.421 572 G CA -1.078 44.005 45.100 -0.028 0.000 0.870 572 G HN 0.632 nan 8.290 nan 0.000 0.492 573 R N 0.595 121.039 120.500 -0.093 0.000 2.460 573 R HA 0.619 4.962 4.340 0.006 0.000 0.303 573 R C -1.045 175.150 176.300 -0.174 0.000 0.968 573 R CA -0.515 55.504 56.100 -0.135 0.000 0.889 573 R CB 1.796 32.026 30.300 -0.117 0.000 1.123 573 R HN 0.275 nan 8.270 nan 0.000 0.455 574 V N 7.227 126.999 119.914 -0.237 0.000 2.432 574 V HA 0.214 4.338 4.120 0.006 0.000 0.271 574 V C -1.659 174.125 176.094 -0.517 0.000 1.046 574 V CA -1.520 60.532 62.300 -0.414 0.000 0.945 574 V CB 1.540 33.134 31.823 -0.382 0.000 0.992 574 V HN 0.850 nan 8.190 nan 0.000 0.471 575 P HA 0.113 nan 4.420 nan 0.000 0.245 575 P C -0.444 176.718 177.300 -0.229 0.000 1.212 575 P CA 0.614 63.498 63.100 -0.361 0.000 0.774 575 P CB -0.012 31.595 31.700 -0.154 0.000 0.999 576 F N -4.038 115.936 119.950 0.039 0.000 2.754 576 F HA 0.747 5.274 4.527 0.001 0.000 0.320 576 F C -0.176 175.662 175.800 0.065 0.000 1.156 576 F CA -1.489 56.539 58.000 0.047 0.000 0.950 576 F CB 0.307 39.324 39.000 0.029 0.000 1.388 576 F HN -0.525 nan 8.300 nan 0.000 0.485 577 S N 0.130 116.044 115.700 0.356 0.000 2.671 577 S HA 0.835 5.308 4.470 0.006 0.000 0.299 577 S C -1.412 173.285 174.600 0.162 0.000 1.116 577 S CA -0.508 57.827 58.200 0.225 0.000 0.912 577 S CB 2.200 65.476 63.200 0.127 0.000 1.130 577 S HN 0.440 nan 8.310 nan 0.000 0.501 578 I N 1.527 122.157 120.570 0.099 0.000 2.646 578 I HA 0.368 4.541 4.170 0.006 0.000 0.299 578 I C -0.553 175.563 176.117 -0.002 0.000 1.036 578 I CA -0.543 60.784 61.300 0.044 0.000 1.074 578 I CB 1.625 39.656 38.000 0.051 0.000 1.258 578 I HN 0.482 nan 8.210 nan 0.000 0.430 579 D N 4.975 125.362 120.400 -0.021 0.000 2.316 579 D HA 0.224 4.868 4.640 0.006 0.000 0.245 579 D C 1.307 177.594 176.300 -0.023 0.000 1.171 579 D CA -0.232 53.745 54.000 -0.038 0.000 0.856 579 D CB 0.840 41.614 40.800 -0.044 0.000 1.090 579 D HN 0.245 nan 8.370 nan 0.000 0.476 580 I N 3.488 124.046 120.570 -0.021 0.000 2.147 580 I HA -0.360 3.814 4.170 0.006 0.000 0.245 580 I C 1.748 177.857 176.117 -0.014 0.000 1.059 580 I CA 1.138 62.431 61.300 -0.011 0.000 1.320 580 I CB -1.077 36.916 38.000 -0.011 0.000 1.021 580 I HN 0.528 nan 8.210 nan 0.000 0.415 581 N N 0.954 119.642 118.700 -0.020 0.000 2.430 581 N HA -0.106 4.638 4.740 0.006 0.000 0.186 581 N C 1.527 177.026 175.510 -0.017 0.000 1.032 581 N CA 1.182 54.221 53.050 -0.019 0.000 0.893 581 N CB -0.242 38.231 38.487 -0.023 0.000 0.957 581 N HN 0.421 nan 8.380 nan 0.000 0.442 582 S N 0.098 115.787 115.700 -0.018 0.000 2.631 582 S HA 0.179 4.653 4.470 0.006 0.000 0.217 582 S C 0.755 175.347 174.600 -0.013 0.000 0.958 582 S CA -0.119 58.071 58.200 -0.017 0.000 0.920 582 S CB 0.284 63.472 63.200 -0.020 0.000 0.776 582 S HN 0.184 nan 8.310 nan 0.000 0.517 583 L N 2.036 123.254 121.223 -0.010 0.000 2.292 583 L HA 0.384 4.727 4.340 0.006 0.000 0.284 583 L C -0.398 176.468 176.870 -0.006 0.000 1.065 583 L CA -0.622 54.215 54.840 -0.006 0.000 0.806 583 L CB 1.327 43.384 42.059 -0.003 0.000 1.175 583 L HN -0.019 nan 8.230 nan 0.000 0.431 584 V N 5.749 125.660 119.914 -0.005 0.000 2.364 584 V HA 0.356 4.480 4.120 0.006 0.000 0.272 584 V C 0.088 176.180 176.094 -0.003 0.000 1.036 584 V CA -0.079 62.218 62.300 -0.005 0.000 0.880 584 V CB 1.035 32.855 31.823 -0.005 0.000 0.991 584 V HN 0.479 nan 8.190 nan 0.000 0.460 585 I N 7.408 127.976 120.570 -0.004 0.000 2.503 585 I HA 0.374 4.548 4.170 0.006 0.000 0.282 585 I C -2.042 174.073 176.117 -0.003 0.000 1.059 585 I CA -1.536 59.762 61.300 -0.003 0.000 1.081 585 I CB 1.973 39.971 38.000 -0.003 0.000 1.210 585 I HN 0.480 nan 8.210 nan 0.000 0.450 586 P HA 0.418 nan 4.420 nan 0.000 0.271 586 P C -2.468 174.831 177.300 -0.003 0.000 1.218 586 P CA -0.666 62.432 63.100 -0.003 0.000 0.780 586 P CB -0.041 31.658 31.700 -0.002 0.000 0.901 587 P HA 0.000 nan 4.420 nan 0.000 0.216 587 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 587 P CB 0.000 31.698 31.700 -0.003 0.000 0.726