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 3fhq_1_F DATA FIRST_RESID 2 DATA SEQUENCE TYNGPLSSHW FPEELAQWEP DSDPDAPFNR SHVPLEPGRV ADRVNANADK DATA SEQUENCE DAHLVSLSAL NRHTSGVPSQ GAPVFYENTF SYWHYTDLMV YWAGSAGEGI DATA SEQUENCE IVPPSADVID ASHRNGVPIL GNVFFPPTVY GGQLEWLEQM LEQEEDGSFP DATA SEQUENCE LADKLLEVAD YYGFDGWFIN QETEGADEGT AEAMQAFLVY LQEQKPEGMH DATA SEQUENCE IMWYDSMIDT GAIAWQNHLT DRNKMYLQNG STRVADSMFL NFWWRDQRQS DATA SEQUENCE NELAQALGRS PYDLYAGVDV EARGTSTPVQ WEGLFPEGEK AHTSLGLYRP DATA SEQUENCE DWAFQSSETM EAFYEKELQF WVGSTGNPAE TDGQSNWPGM AHWFPAKSTA DATA SEQUENCE TSVPFVTHFN TGSGAQFSAE GKTVSEQEWN NRSLQDVLPT WRWIQHGGDL DATA SEQUENCE EATFSWEEAF EGGSSLQWHG SLAEGEHAQI ELYQTELPIS EGTSLTWTFK DATA SEQUENCE SEHDNDLNVG FRLDGXXDFR YVEGEQRESI NGWTQWTLPL DAFAGQTITG DATA SEQUENCE LAFAAEGNET GLAEFYTGQL AVGXXXXXPA APNVNVRQYD PDPSGIQLVW DATA SEQUENCE EXXXNVHHYR VYKETKHGKE LIGTSAGDRI YIEGLXXXXX XXXVRLHIEA DATA SEQUENCE LSETFVPSDA RMID 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.783 174.700 0.139 0.000 1.109 2 T CA 0.000 62.159 62.100 0.098 0.000 1.349 2 T CB 0.000 68.926 68.868 0.097 0.000 0.612 3 Y N 2.898 123.223 120.300 0.041 0.000 2.393 3 Y HA 0.630 5.185 4.550 0.007 0.000 0.338 3 Y C 0.216 176.132 175.900 0.028 0.000 1.029 3 Y CA -0.283 57.846 58.100 0.047 0.000 1.239 3 Y CB 0.726 39.201 38.460 0.025 0.000 1.170 3 Y HN 0.043 nan 8.280 nan 0.000 0.515 4 N N 3.983 122.364 118.700 -0.530 0.000 2.282 4 N HA 0.222 4.966 4.740 0.007 0.000 0.240 4 N C 0.163 175.200 175.510 -0.789 0.000 1.182 4 N CA 0.124 52.907 53.050 -0.445 0.000 0.874 4 N CB 0.890 39.309 38.487 -0.114 0.000 1.126 4 N HN 0.827 nan 8.380 nan 0.000 0.516 5 G N 0.302 107.954 108.800 -1.914 0.000 2.525 5 G HA2 0.407 4.372 3.960 0.007 0.000 0.287 5 G HA3 0.407 4.372 3.960 0.007 0.000 0.287 5 G C -2.598 171.643 174.900 -1.098 0.000 1.350 5 G CA -1.096 42.724 45.100 -2.132 0.000 1.039 5 G HN -0.042 nan 8.290 nan 0.000 0.513 6 P HA 0.268 nan 4.420 nan 0.000 0.269 6 P C -0.593 176.618 177.300 -0.149 0.000 1.209 6 P CA 0.110 62.869 63.100 -0.567 0.000 0.776 6 P CB 0.739 31.792 31.700 -1.079 0.000 0.876 7 L N 1.021 122.224 121.223 -0.033 0.000 2.370 7 L HA 0.386 4.731 4.340 0.007 0.000 0.266 7 L C 0.640 177.494 176.870 -0.028 0.000 1.002 7 L CA -1.013 53.839 54.840 0.019 0.000 0.818 7 L CB 2.084 44.178 42.059 0.058 0.000 1.325 7 L HN 0.284 nan 8.230 nan 0.000 0.418 8 S N 0.788 116.453 115.700 -0.058 0.000 2.552 8 S HA 0.135 4.610 4.470 0.007 0.000 0.289 8 S C 0.193 174.700 174.600 -0.155 0.000 1.304 8 S CA -0.414 57.704 58.200 -0.136 0.000 1.063 8 S CB 0.416 63.525 63.200 -0.152 0.000 0.848 8 S HN 0.583 nan 8.310 nan 0.000 0.499 9 S N 3.039 118.565 115.700 -0.289 0.000 2.614 9 S HA 0.469 4.944 4.470 0.007 0.000 0.265 9 S C -0.621 173.523 174.600 -0.760 0.000 1.303 9 S CA -0.418 57.428 58.200 -0.589 0.000 1.000 9 S CB 0.337 63.167 63.200 -0.617 0.000 0.935 9 S HN 0.944 nan 8.310 nan 0.000 0.551 10 H N -2.081 116.325 119.070 -1.107 0.000 3.112 10 H HA 0.590 5.150 4.556 0.007 0.000 0.347 10 H C -2.079 172.675 175.328 -0.957 0.000 1.188 10 H CA -1.011 54.480 56.048 -0.929 0.000 1.240 10 H CB 0.490 29.941 29.762 -0.518 0.000 1.920 10 H HN 0.532 nan 8.280 nan 0.000 0.535 11 W N 2.447 123.638 121.300 -0.182 0.000 3.032 11 W HA 0.452 5.117 4.660 0.007 0.000 0.335 11 W C -1.305 174.993 176.519 -0.368 0.000 1.154 11 W CA -1.120 56.097 57.345 -0.214 0.000 1.204 11 W CB 1.492 30.862 29.460 -0.151 0.000 1.416 11 W HN 0.433 nan 8.180 nan 0.000 0.521 12 F N 1.822 121.808 119.950 0.060 0.000 2.378 12 F HA 0.230 4.762 4.527 0.008 0.000 0.319 12 F C -1.059 174.730 175.800 -0.017 0.000 1.155 12 F CA -1.800 56.105 58.000 -0.159 0.000 1.157 12 F CB -0.160 38.682 39.000 -0.263 0.000 1.252 12 F HN 0.003 nan 8.300 nan 0.000 0.550 13 P HA -0.176 nan 4.420 nan 0.000 0.216 13 P C 1.196 178.585 177.300 0.147 0.000 1.150 13 P CA 1.483 64.673 63.100 0.150 0.000 0.843 13 P CB 0.225 32.057 31.700 0.220 0.000 0.787 14 E N -0.437 119.873 120.200 0.184 0.000 2.274 14 E HA -0.124 4.230 4.350 0.007 0.000 0.194 14 E C 1.783 178.465 176.600 0.137 0.000 0.996 14 E CA 0.863 57.353 56.400 0.149 0.000 0.840 14 E CB -0.323 29.467 29.700 0.150 0.000 0.772 14 E HN 0.469 nan 8.360 nan 0.000 0.491 15 E N 0.284 120.594 120.200 0.185 0.000 2.112 15 E HA -0.119 4.235 4.350 0.007 0.000 0.190 15 E C 1.982 178.620 176.600 0.065 0.000 0.979 15 E CA 0.295 56.814 56.400 0.199 0.000 0.814 15 E CB -0.030 29.874 29.700 0.340 0.000 0.762 15 E HN 0.033 nan 8.360 nan 0.000 0.460 16 L N 1.399 122.577 121.223 -0.074 0.000 2.017 16 L HA -0.111 4.233 4.340 0.007 0.000 0.208 16 L C 2.268 179.047 176.870 -0.152 0.000 1.073 16 L CA 2.014 56.609 54.840 -0.409 0.000 0.745 16 L CB -0.887 40.950 42.059 -0.371 0.000 0.894 16 L HN 0.065 nan 8.230 nan 0.000 0.432 17 A N -0.326 122.471 122.820 -0.037 0.000 1.915 17 A HA -0.306 4.019 4.320 0.007 0.000 0.220 17 A C 1.929 179.521 177.584 0.014 0.000 1.198 17 A CA 2.307 54.348 52.037 0.008 0.000 0.647 17 A CB -0.813 18.212 19.000 0.042 0.000 0.825 17 A HN 0.781 nan 8.150 nan 0.000 0.456 18 Q N -2.479 117.341 119.800 0.035 0.000 2.222 18 Q HA 0.133 4.478 4.340 0.007 0.000 0.206 18 Q C 0.050 176.075 176.000 0.042 0.000 0.877 18 Q CA -0.503 55.318 55.803 0.030 0.000 0.958 18 Q CB -0.223 28.540 28.738 0.041 0.000 1.075 18 Q HN 0.708 nan 8.270 nan 0.000 0.483 19 W N 2.101 123.303 121.300 -0.163 0.000 2.315 19 W HA 0.390 5.054 4.660 0.007 0.000 0.316 19 W C -0.665 175.745 176.519 -0.181 0.000 1.211 19 W CA -0.134 57.100 57.345 -0.184 0.000 1.201 19 W CB 1.094 30.321 29.460 -0.387 0.000 1.184 19 W HN -0.046 nan 8.180 nan 0.000 0.544 20 E N 6.823 126.421 120.200 -1.004 0.000 2.304 20 E HA 0.323 4.678 4.350 0.007 0.000 0.277 20 E C -1.853 173.907 176.600 -1.400 0.000 0.898 20 E CA -2.038 53.693 56.400 -1.116 0.000 0.764 20 E CB 2.430 31.817 29.700 -0.522 0.000 1.216 20 E HN 0.099 nan 8.360 nan 0.000 0.419 21 P HA -0.140 nan 4.420 nan 0.000 0.215 21 P C 0.291 177.305 177.300 -0.478 0.000 1.157 21 P CA 1.090 63.560 63.100 -1.050 0.000 0.868 21 P CB 0.318 31.175 31.700 -1.405 0.000 0.788 22 D N -0.517 119.647 120.400 -0.393 0.000 2.271 22 D HA -0.112 4.532 4.640 0.007 0.000 0.207 22 D C 1.807 178.024 176.300 -0.137 0.000 0.983 22 D CA 1.615 55.503 54.000 -0.188 0.000 0.878 22 D CB -0.394 40.312 40.800 -0.156 0.000 0.920 22 D HN 0.309 nan 8.370 nan 0.000 0.479 23 S N -1.230 114.354 115.700 -0.193 0.000 2.523 23 S HA 0.012 4.487 4.470 0.007 0.000 0.217 23 S C 0.464 175.037 174.600 -0.046 0.000 0.996 23 S CA -0.529 57.604 58.200 -0.111 0.000 0.921 23 S CB 0.655 63.779 63.200 -0.128 0.000 0.829 23 S HN -0.087 nan 8.310 nan 0.000 0.495 24 D N 2.984 123.363 120.400 -0.036 0.000 2.313 24 D HA 0.382 5.026 4.640 0.007 0.000 0.239 24 D C -1.865 174.555 176.300 0.201 0.000 1.142 24 D CA -2.289 51.796 54.000 0.141 0.000 0.847 24 D CB 1.795 42.791 40.800 0.326 0.000 1.082 24 D HN -0.010 nan 8.370 nan 0.000 0.480 25 P HA -0.062 nan 4.420 nan 0.000 0.219 25 P C 0.313 177.898 177.300 0.474 0.000 1.146 25 P CA 0.844 64.100 63.100 0.260 0.000 0.808 25 P CB 0.468 32.237 31.700 0.115 0.000 0.779 26 D N -1.320 119.342 120.400 0.436 0.000 2.327 26 D HA 0.092 4.736 4.640 0.007 0.000 0.205 26 D C 1.984 178.598 176.300 0.525 0.000 0.989 26 D CA 0.635 54.925 54.000 0.483 0.000 0.873 26 D CB -0.687 40.285 40.800 0.287 0.000 0.955 26 D HN -0.010 nan 8.370 nan 0.000 0.515 27 A N 1.867 125.019 122.820 0.553 0.000 1.927 27 A HA -0.161 4.163 4.320 0.007 0.000 0.220 27 A C -0.274 177.713 177.584 0.672 0.000 1.185 27 A CA 1.483 53.974 52.037 0.758 0.000 0.639 27 A CB -1.487 17.913 19.000 0.667 0.000 0.820 27 A HN 0.206 nan 8.150 nan 0.000 0.451 28 P HA -0.055 nan 4.420 nan 0.000 0.221 28 P C 0.869 178.160 177.300 -0.014 0.000 1.150 28 P CA 0.763 63.956 63.100 0.155 0.000 0.800 28 P CB -0.183 31.465 31.700 -0.087 0.000 0.787 29 F N -0.528 119.485 119.950 0.106 0.000 2.502 29 F HA -0.020 4.511 4.527 0.008 0.000 0.298 29 F C 1.714 177.494 175.800 -0.033 0.000 1.111 29 F CA 0.873 58.883 58.000 0.017 0.000 1.445 29 F CB -0.778 38.205 39.000 -0.027 0.000 1.081 29 F HN -0.053 nan 8.300 nan 0.000 0.558 30 N N 0.204 118.950 118.700 0.077 0.000 2.280 30 N HA 0.049 4.794 4.740 0.007 0.000 0.192 30 N C -0.051 175.235 175.510 -0.373 0.000 1.109 30 N CA 0.097 52.967 53.050 -0.301 0.000 0.855 30 N CB 0.089 38.142 38.487 -0.724 0.000 0.974 30 N HN 0.204 nan 8.380 nan 0.000 0.482 31 R N 0.967 121.437 120.500 -0.050 0.000 2.347 31 R HA 0.152 4.497 4.340 0.007 0.000 0.304 31 R C 0.404 176.628 176.300 -0.126 0.000 1.072 31 R CA -0.088 55.976 56.100 -0.061 0.000 0.980 31 R CB 0.712 30.876 30.300 -0.227 0.000 0.986 31 R HN -0.089 nan 8.270 nan 0.000 0.448 32 S N 1.698 117.330 115.700 -0.114 0.000 2.549 32 S HA 0.015 4.490 4.470 0.007 0.000 0.279 32 S C 0.020 174.494 174.600 -0.210 0.000 1.321 32 S CA -0.386 57.760 58.200 -0.090 0.000 1.054 32 S CB 0.294 63.451 63.200 -0.071 0.000 0.899 32 S HN 0.646 nan 8.310 nan 0.000 0.497 33 H N 2.439 121.518 119.070 0.015 0.000 2.475 33 H HA 0.408 4.969 4.556 0.008 0.000 0.276 33 H C -0.856 174.500 175.328 0.047 0.000 1.126 33 H CA -0.150 55.917 56.048 0.032 0.000 1.023 33 H CB 0.543 30.330 29.762 0.041 0.000 1.669 33 H HN 0.274 nan 8.280 nan 0.000 0.573 34 V N 2.577 122.566 119.914 0.126 0.000 2.380 34 V HA 0.282 4.406 4.120 0.007 0.000 0.286 34 V C -2.352 173.866 176.094 0.208 0.000 1.015 34 V CA -2.025 60.350 62.300 0.125 0.000 0.834 34 V CB 1.732 33.601 31.823 0.077 0.000 1.009 34 V HN 0.150 nan 8.190 nan 0.000 0.428 35 P HA 0.159 nan 4.420 nan 0.000 0.272 35 P C -0.264 176.980 177.300 -0.094 0.000 1.223 35 P CA -0.526 62.604 63.100 0.051 0.000 0.784 35 P CB 0.611 32.315 31.700 0.007 0.000 0.923 36 L N 2.766 123.680 121.223 -0.515 0.000 2.660 36 L HA -0.018 4.326 4.340 0.007 0.000 0.272 36 L C 0.381 177.131 176.870 -0.199 0.000 1.194 36 L CA 0.712 55.191 54.840 -0.601 0.000 0.945 36 L CB -0.825 40.834 42.059 -0.667 0.000 1.212 36 L HN 0.263 nan 8.230 nan 0.000 0.490 37 E N 7.298 127.440 120.200 -0.098 0.000 2.351 37 E HA 0.158 4.513 4.350 0.007 0.000 0.266 37 E C -2.160 174.418 176.600 -0.036 0.000 1.031 37 E CA -1.419 54.957 56.400 -0.040 0.000 0.911 37 E CB 0.208 29.902 29.700 -0.011 0.000 0.986 37 E HN 0.496 nan 8.360 nan 0.000 0.446 38 P HA 0.215 nan 4.420 nan 0.000 0.281 38 P C -0.162 177.139 177.300 0.001 0.000 1.249 38 P CA -0.366 62.728 63.100 -0.010 0.000 0.810 38 P CB 0.835 32.531 31.700 -0.008 0.000 1.008 39 G N 1.398 110.206 108.800 0.014 0.000 2.438 39 G HA2 -0.240 3.725 3.960 0.007 0.000 0.272 39 G HA3 -0.240 3.725 3.960 0.007 0.000 0.272 39 G C -0.225 174.681 174.900 0.010 0.000 0.991 39 G CA -0.486 44.624 45.100 0.016 0.000 1.348 39 G HN 0.574 nan 8.290 nan 0.000 0.483 40 R N -0.719 119.795 120.500 0.024 0.000 2.615 40 R HA 0.669 5.013 4.340 0.007 0.000 0.270 40 R C 0.242 176.553 176.300 0.018 0.000 1.081 40 R CA -0.603 55.508 56.100 0.018 0.000 1.154 40 R CB 1.622 31.949 30.300 0.044 0.000 1.063 40 R HN 0.377 nan 8.270 nan 0.000 0.519 41 V N 1.005 120.918 119.914 -0.002 0.000 2.604 41 V HA 0.643 4.767 4.120 0.007 0.000 0.305 41 V C -0.586 175.521 176.094 0.022 0.000 1.043 41 V CA -0.560 61.744 62.300 0.005 0.000 0.888 41 V CB 1.666 33.475 31.823 -0.023 0.000 0.995 41 V HN 0.933 nan 8.190 nan 0.000 0.429 42 A N 4.679 127.531 122.820 0.055 0.000 2.286 42 A HA 0.702 5.026 4.320 0.007 0.000 0.286 42 A C -0.284 177.362 177.584 0.104 0.000 1.097 42 A CA -0.357 51.733 52.037 0.089 0.000 0.821 42 A CB 0.581 19.645 19.000 0.108 0.000 1.076 42 A HN 0.992 nan 8.150 nan 0.000 0.490 43 D N -0.364 120.134 120.400 0.162 0.000 2.437 43 D HA 0.422 5.067 4.640 0.007 0.000 0.259 43 D C 0.084 176.506 176.300 0.204 0.000 1.118 43 D CA -0.644 53.510 54.000 0.256 0.000 1.017 43 D CB 0.726 41.809 40.800 0.472 0.000 1.120 43 D HN 0.320 nan 8.370 nan 0.000 0.541 44 R N 0.359 120.971 120.500 0.187 0.000 2.572 44 R HA 0.131 4.476 4.340 0.007 0.000 0.370 44 R C 1.530 177.861 176.300 0.051 0.000 1.005 44 R CA 0.131 56.287 56.100 0.094 0.000 1.146 44 R CB 0.019 30.351 30.300 0.053 0.000 1.390 44 R HN 0.456 nan 8.270 nan 0.000 0.553 45 V N -0.960 118.994 119.914 0.066 0.000 2.626 45 V HA 0.029 4.153 4.120 0.007 0.000 0.252 45 V C 0.822 176.889 176.094 -0.045 0.000 1.067 45 V CA 1.045 63.317 62.300 -0.046 0.000 1.081 45 V CB -0.402 31.302 31.823 -0.198 0.000 0.686 45 V HN 0.083 nan 8.190 nan 0.000 0.468 46 N N 0.457 119.147 118.700 -0.017 0.000 2.444 46 N HA 0.500 5.244 4.740 0.007 0.000 0.262 46 N C 0.865 176.305 175.510 -0.117 0.000 0.974 46 N CA 0.501 53.503 53.050 -0.080 0.000 0.933 46 N CB 1.962 40.391 38.487 -0.097 0.000 1.137 46 N HN 0.299 nan 8.380 nan 0.000 0.498 47 A N 3.834 126.575 122.820 -0.130 0.000 2.015 47 A HA -0.154 4.170 4.320 0.007 0.000 0.219 47 A C 1.782 179.262 177.584 -0.173 0.000 1.163 47 A CA 1.282 53.245 52.037 -0.122 0.000 0.646 47 A CB -0.343 18.597 19.000 -0.101 0.000 0.806 47 A HN 0.770 nan 8.150 nan 0.000 0.448 48 N N -0.172 118.357 118.700 -0.284 0.000 2.457 48 N HA 0.140 4.885 4.740 0.007 0.000 0.180 48 N C 0.562 175.839 175.510 -0.389 0.000 1.050 48 N CA 0.714 53.524 53.050 -0.399 0.000 0.906 48 N CB -0.267 37.763 38.487 -0.761 0.000 0.968 48 N HN 0.388 nan 8.380 nan 0.000 0.445 49 A N 0.705 123.331 122.820 -0.325 0.000 2.440 49 A HA 0.222 4.546 4.320 0.007 0.000 0.251 49 A C -0.109 177.374 177.584 -0.168 0.000 1.089 49 A CA -0.418 51.461 52.037 -0.264 0.000 0.779 49 A CB 0.047 18.957 19.000 -0.151 0.000 1.022 49 A HN 0.513 nan 8.150 nan 0.000 0.492 50 D N 1.068 121.360 120.400 -0.180 0.000 2.384 50 D HA 0.299 4.944 4.640 0.007 0.000 0.250 50 D C 0.098 176.332 176.300 -0.109 0.000 1.029 50 D CA -0.659 53.264 54.000 -0.129 0.000 0.990 50 D CB 1.319 42.044 40.800 -0.126 0.000 1.175 50 D HN 0.554 nan 8.370 nan 0.000 0.532 51 K N -0.702 119.639 120.400 -0.098 0.000 2.358 51 K HA 0.148 4.472 4.320 0.007 0.000 0.197 51 K C 0.180 176.670 176.600 -0.184 0.000 1.025 51 K CA -0.167 56.075 56.287 -0.075 0.000 1.104 51 K CB 0.590 33.071 32.500 -0.032 0.000 0.855 51 K HN 0.158 nan 8.250 nan 0.000 0.531 52 D N 2.209 122.413 120.400 -0.327 0.000 2.290 52 D HA 0.021 4.666 4.640 0.007 0.000 0.224 52 D C 0.587 176.275 176.300 -1.020 0.000 0.967 52 D CA 0.521 54.110 54.000 -0.685 0.000 0.893 52 D CB -0.030 40.301 40.800 -0.782 0.000 1.037 52 D HN 0.292 nan 8.370 nan 0.000 0.477 53 A N 1.057 123.471 122.820 -0.677 0.000 2.477 53 A HA 0.199 4.523 4.320 0.007 0.000 0.246 53 A C -0.326 177.288 177.584 0.051 0.000 1.078 53 A CA 0.209 52.075 52.037 -0.285 0.000 0.770 53 A CB -0.161 18.878 19.000 0.064 0.000 1.011 53 A HN 0.189 nan 8.150 nan 0.000 0.494 54 H N -0.096 119.196 119.070 0.371 0.000 2.585 54 H HA 0.748 5.308 4.556 0.007 0.000 0.338 54 H C -0.584 175.051 175.328 0.511 0.000 1.295 54 H CA -0.626 55.704 56.048 0.470 0.000 1.356 54 H CB 1.418 31.449 29.762 0.448 0.000 1.736 54 H HN 0.611 nan 8.280 nan 0.000 0.629 55 L N 1.463 122.989 121.223 0.506 0.000 2.476 55 L HA 0.454 4.798 4.340 0.007 0.000 0.269 55 L C -1.434 175.623 176.870 0.311 0.000 0.965 55 L CA -0.884 54.114 54.840 0.263 0.000 0.845 55 L CB 1.341 43.198 42.059 -0.335 0.000 1.259 55 L HN 0.527 nan 8.230 nan 0.000 0.403 56 V N 1.019 121.097 119.914 0.273 0.000 2.581 56 V HA 0.688 4.812 4.120 0.007 0.000 0.303 56 V C -0.116 176.096 176.094 0.197 0.000 1.041 56 V CA -0.467 61.897 62.300 0.107 0.000 0.907 56 V CB 1.589 33.341 31.823 -0.118 0.000 0.994 56 V HN 0.735 nan 8.190 nan 0.000 0.442 57 S N 3.683 119.462 115.700 0.133 0.000 2.437 57 S HA 0.729 5.203 4.470 0.007 0.000 0.305 57 S C -0.724 173.824 174.600 -0.086 0.000 1.109 57 S CA -0.489 57.750 58.200 0.065 0.000 1.099 57 S CB 0.763 63.980 63.200 0.028 0.000 1.004 57 S HN 0.636 nan 8.310 nan 0.000 0.475 58 L N 4.670 125.781 121.223 -0.185 0.000 2.270 58 L HA 0.457 4.801 4.340 0.007 0.000 0.286 58 L C -0.138 176.471 176.870 -0.435 0.000 1.059 58 L CA 0.287 54.908 54.840 -0.366 0.000 0.839 58 L CB 0.728 42.383 42.059 -0.674 0.000 1.221 58 L HN 0.502 nan 8.230 nan 0.000 0.431 59 S N 1.793 117.300 115.700 -0.321 0.000 2.519 59 S HA 0.627 5.102 4.470 0.007 0.000 0.309 59 S C 0.405 174.805 174.600 -0.333 0.000 1.100 59 S CA -0.733 57.238 58.200 -0.381 0.000 1.059 59 S CB 1.795 64.709 63.200 -0.477 0.000 1.008 59 S HN 0.567 nan 8.310 nan 0.000 0.478 60 A N 3.762 126.384 122.820 -0.330 0.000 3.052 60 A HA 0.252 4.577 4.320 0.007 0.000 0.266 60 A C 1.164 178.484 177.584 -0.440 0.000 1.855 60 A CA -0.211 51.604 52.037 -0.370 0.000 1.473 60 A CB -1.117 17.718 19.000 -0.274 0.000 1.038 60 A HN 0.936 nan 8.150 nan 0.000 0.619 61 L N -0.310 120.637 121.223 -0.461 0.000 2.351 61 L HA -0.135 4.210 4.340 0.007 0.000 0.220 61 L C 0.393 177.042 176.870 -0.369 0.000 1.127 61 L CA 0.755 55.380 54.840 -0.357 0.000 0.786 61 L CB -0.419 41.557 42.059 -0.138 0.000 0.914 61 L HN 0.530 nan 8.230 nan 0.000 0.443 62 N N -0.872 117.583 118.700 -0.408 0.000 2.346 62 N HA 0.164 4.908 4.740 0.007 0.000 0.289 62 N C 0.505 175.805 175.510 -0.350 0.000 1.027 62 N CA -0.345 52.515 53.050 -0.316 0.000 0.864 62 N CB 1.998 40.391 38.487 -0.157 0.000 1.370 62 N HN -0.062 nan 8.380 nan 0.000 0.481 63 R N 0.862 121.160 120.500 -0.336 0.000 2.105 63 R HA -0.072 4.272 4.340 0.007 0.000 0.239 63 R C -0.117 175.861 176.300 -0.537 0.000 1.135 63 R CA 1.384 57.226 56.100 -0.429 0.000 0.967 63 R CB 0.141 30.167 30.300 -0.458 0.000 0.861 63 R HN 0.554 nan 8.270 nan 0.000 0.442 64 H N -1.524 117.449 119.070 -0.162 0.000 2.573 64 H HA 0.154 4.715 4.556 0.007 0.000 0.351 64 H C 0.672 175.874 175.328 -0.210 0.000 1.163 64 H CA -0.430 55.513 56.048 -0.174 0.000 1.205 64 H CB 2.229 31.912 29.762 -0.133 0.000 1.605 64 H HN -0.055 nan 8.280 nan 0.000 0.525 65 T N 1.230 115.713 114.554 -0.118 0.000 2.770 65 T HA -0.052 4.303 4.350 0.007 0.000 0.263 65 T C 1.081 175.596 174.700 -0.308 0.000 1.039 65 T CA 1.243 63.200 62.100 -0.240 0.000 1.142 65 T CB 0.060 68.716 68.868 -0.354 0.000 0.868 65 T HN 0.658 nan 8.240 nan 0.000 0.435 66 S N -0.635 114.862 115.700 -0.339 0.000 2.722 66 S HA 0.565 5.040 4.470 0.007 0.000 0.292 66 S C 1.258 175.807 174.600 -0.086 0.000 1.135 66 S CA -0.127 57.885 58.200 -0.314 0.000 1.003 66 S CB 1.325 64.307 63.200 -0.363 0.000 1.067 66 S HN 0.673 nan 8.310 nan 0.000 0.546 67 G N -0.652 108.151 108.800 0.005 0.000 2.155 67 G HA2 -0.220 3.745 3.960 0.007 0.000 0.257 67 G HA3 -0.220 3.745 3.960 0.007 0.000 0.257 67 G C -0.044 174.864 174.900 0.014 0.000 0.983 67 G CA 0.090 45.208 45.100 0.030 0.000 0.676 67 G HN 1.169 nan 8.290 nan 0.000 0.528 68 V N 2.064 121.978 119.914 -0.000 0.000 2.389 68 V HA 0.348 4.472 4.120 0.007 0.000 0.264 68 V C -1.428 174.629 176.094 -0.060 0.000 1.049 68 V CA -1.443 60.833 62.300 -0.041 0.000 0.932 68 V CB 1.190 32.994 31.823 -0.032 0.000 1.011 68 V HN 0.118 nan 8.190 nan 0.000 0.475 69 P HA 0.123 nan 4.420 nan 0.000 0.268 69 P C 0.898 178.137 177.300 -0.101 0.000 1.205 69 P CA 0.239 63.213 63.100 -0.210 0.000 0.771 69 P CB 0.680 32.044 31.700 -0.560 0.000 0.858 70 S N 1.684 117.351 115.700 -0.055 0.000 2.374 70 S HA -0.204 4.271 4.470 0.007 0.000 0.227 70 S C 0.946 175.538 174.600 -0.014 0.000 1.037 70 S CA 1.536 59.713 58.200 -0.038 0.000 1.024 70 S CB -0.361 62.846 63.200 0.013 0.000 0.861 70 S HN 0.613 nan 8.310 nan 0.000 0.456 71 Q N -0.231 119.576 119.800 0.012 0.000 2.158 71 Q HA 0.460 4.804 4.340 0.007 0.000 0.306 71 Q C 0.060 176.096 176.000 0.060 0.000 0.878 71 Q CA -0.142 55.695 55.803 0.058 0.000 1.136 71 Q CB 1.220 30.031 28.738 0.123 0.000 1.253 71 Q HN 0.470 nan 8.270 nan 0.000 0.441 72 G N 0.333 109.146 108.800 0.022 0.000 2.612 72 G HA2 0.222 4.187 3.960 0.007 0.000 0.686 72 G HA3 0.222 4.187 3.960 0.007 0.000 0.686 72 G C -1.319 173.575 174.900 -0.009 0.000 1.274 72 G CA -0.572 44.559 45.100 0.052 0.000 0.849 72 G HN 0.466 nan 8.290 nan 0.000 0.595 73 A N -0.311 122.526 122.820 0.027 0.000 2.610 73 A HA 0.916 5.240 4.320 0.007 0.000 0.291 73 A C -3.003 174.629 177.584 0.079 0.000 1.086 73 A CA -0.663 51.360 52.037 -0.023 0.000 0.677 73 A CB 1.926 20.857 19.000 -0.115 0.000 1.278 73 A HN 0.847 nan 8.150 nan 0.000 0.414 74 P HA 0.350 nan 4.420 nan 0.000 0.225 74 P C -0.977 176.388 177.300 0.108 0.000 1.768 74 P CA 0.250 63.429 63.100 0.131 0.000 0.943 74 P CB -0.136 31.627 31.700 0.105 0.000 1.936 75 V N 1.919 121.890 119.914 0.096 0.000 2.569 75 V HA 0.203 4.328 4.120 0.007 0.000 0.301 75 V C 0.678 176.821 176.094 0.082 0.000 1.044 75 V CA -0.517 61.833 62.300 0.084 0.000 0.874 75 V CB 1.756 33.605 31.823 0.043 0.000 1.002 75 V HN 0.073 nan 8.190 nan 0.000 0.424 76 F N 4.980 124.882 119.950 -0.080 0.000 2.098 76 F HA 0.046 4.577 4.527 0.007 0.000 0.294 76 F C 0.936 176.658 175.800 -0.130 0.000 1.107 76 F CA 1.012 58.901 58.000 -0.184 0.000 1.234 76 F CB -0.133 38.775 39.000 -0.153 0.000 1.002 76 F HN 0.479 nan 8.300 nan 0.000 0.472 77 Y N 2.593 122.737 120.300 -0.258 0.000 2.573 77 Y HA 0.333 4.888 4.550 0.008 0.000 0.346 77 Y C -0.330 175.557 175.900 -0.021 0.000 1.198 77 Y CA -0.350 57.578 58.100 -0.285 0.000 1.627 77 Y CB -0.879 37.437 38.460 -0.239 0.000 1.457 77 Y HN 0.151 nan 8.280 nan 0.000 0.483 78 E N 2.878 122.858 120.200 -0.365 0.000 2.369 78 E HA 0.250 4.604 4.350 0.007 0.000 0.270 78 E C -1.264 174.834 176.600 -0.836 0.000 0.909 78 E CA -0.888 55.242 56.400 -0.450 0.000 0.775 78 E CB 0.877 30.406 29.700 -0.284 0.000 1.270 78 E HN 0.347 nan 8.360 nan 0.000 0.445 79 N N 1.730 119.582 118.700 -1.414 0.000 2.434 79 N HA -0.009 4.736 4.740 0.007 0.000 0.273 79 N C -0.620 174.693 175.510 -0.328 0.000 1.210 79 N CA 0.360 52.590 53.050 -1.367 0.000 0.992 79 N CB -0.010 37.620 38.487 -1.429 0.000 1.355 79 N HN 0.414 nan 8.380 nan 0.000 0.495 80 T N 4.686 119.311 114.554 0.118 0.000 3.256 80 T HA 0.113 4.468 4.350 0.007 0.000 0.237 80 T C 0.235 175.099 174.700 0.273 0.000 0.908 80 T CA -0.744 61.501 62.100 0.242 0.000 0.966 80 T CB -1.268 67.751 68.868 0.251 0.000 1.134 80 T HN 0.308 nan 8.240 nan 0.000 0.573 81 F N 3.056 123.024 119.950 0.030 0.000 2.604 81 F HA 0.152 4.684 4.527 0.007 0.000 0.390 81 F C 1.147 176.703 175.800 -0.407 0.000 1.053 81 F CA 0.812 58.661 58.000 -0.252 0.000 1.256 81 F CB 0.672 39.373 39.000 -0.498 0.000 0.996 81 F HN 0.377 nan 8.300 nan 0.000 0.564 82 S N 4.006 118.984 115.700 -1.204 0.000 2.819 82 S HA 0.176 4.650 4.470 0.007 0.000 0.249 82 S C -0.148 173.640 174.600 -1.353 0.000 1.030 82 S CA -0.311 57.310 58.200 -0.964 0.000 1.052 82 S CB -0.595 62.195 63.200 -0.682 0.000 1.017 82 S HN 0.652 nan 8.310 nan 0.000 0.576 83 Y N 1.055 120.104 120.300 -2.085 0.000 2.801 83 Y HA 0.397 4.952 4.550 0.007 0.000 0.318 83 Y C 0.519 175.638 175.900 -1.302 0.000 1.073 83 Y CA -1.266 55.849 58.100 -1.642 0.000 1.360 83 Y CB -0.603 36.699 38.460 -1.931 0.000 1.220 83 Y HN 0.339 nan 8.280 nan 0.000 0.536 84 W N -0.496 120.419 121.300 -0.641 0.000 2.341 84 W HA -0.258 4.406 4.660 0.007 0.000 0.283 84 W C 2.467 178.916 176.519 -0.118 0.000 1.215 84 W CA 1.588 58.842 57.345 -0.151 0.000 1.211 84 W CB -0.416 29.014 29.460 -0.050 0.000 1.131 84 W HN 0.411 nan 8.180 nan 0.000 0.552 85 H N -2.502 116.488 119.070 -0.133 0.000 2.489 85 H HA -0.146 4.415 4.556 0.007 0.000 0.293 85 H C 0.835 176.037 175.328 -0.209 0.000 1.066 85 H CA 1.142 57.053 56.048 -0.228 0.000 1.305 85 H CB -1.209 28.300 29.762 -0.421 0.000 1.386 85 H HN 0.234 nan 8.280 nan 0.000 0.551 86 Y N 1.515 121.718 120.300 -0.162 0.000 2.468 86 Y HA 0.266 4.821 4.550 0.007 0.000 0.268 86 Y C 0.513 176.514 175.900 0.168 0.000 1.177 86 Y CA -0.212 57.944 58.100 0.094 0.000 1.265 86 Y CB 0.447 39.080 38.460 0.287 0.000 1.103 86 Y HN 0.038 nan 8.280 nan 0.000 0.522 87 T N 0.730 115.432 114.554 0.246 0.000 2.797 87 T HA 0.155 4.510 4.350 0.007 0.000 0.279 87 T C 0.441 175.298 174.700 0.262 0.000 0.991 87 T CA -0.530 61.742 62.100 0.286 0.000 0.979 87 T CB 1.272 70.321 68.868 0.301 0.000 0.943 87 T HN 0.203 nan 8.240 nan 0.000 0.444 88 D N 1.512 122.061 120.400 0.248 0.000 2.338 88 D HA 0.136 4.781 4.640 0.007 0.000 0.208 88 D C -0.027 176.366 176.300 0.155 0.000 0.997 88 D CA 0.317 54.453 54.000 0.226 0.000 0.880 88 D CB 0.675 41.650 40.800 0.291 0.000 0.980 88 D HN 0.135 nan 8.370 nan 0.000 0.509 89 L N 0.851 122.158 121.223 0.140 0.000 2.526 89 L HA 0.379 4.724 4.340 0.007 0.000 0.263 89 L C -1.719 175.212 176.870 0.102 0.000 0.943 89 L CA -0.670 54.206 54.840 0.060 0.000 0.859 89 L CB 2.164 44.161 42.059 -0.104 0.000 1.313 89 L HN -0.241 nan 8.230 nan 0.000 0.406 90 M N 5.196 124.877 119.600 0.134 0.000 2.227 90 M HA 0.714 5.198 4.480 0.007 0.000 0.335 90 M C -1.775 174.576 176.300 0.086 0.000 1.053 90 M CA -0.381 54.995 55.300 0.127 0.000 0.973 90 M CB 1.628 34.390 32.600 0.270 0.000 1.623 90 M HN 0.230 nan 8.290 nan 0.000 0.434 91 V N 6.033 125.964 119.914 0.028 0.000 2.384 91 V HA 0.278 4.403 4.120 0.007 0.000 0.287 91 V C -1.108 175.009 176.094 0.039 0.000 1.020 91 V CA -0.700 61.624 62.300 0.041 0.000 0.850 91 V CB 1.150 32.950 31.823 -0.039 0.000 0.987 91 V HN 0.777 nan 8.190 nan 0.000 0.436 92 Y N 5.425 125.676 120.300 -0.081 0.000 2.637 92 Y HA 0.088 4.643 4.550 0.007 0.000 0.350 92 Y C 0.175 176.020 175.900 -0.092 0.000 1.069 92 Y CA 0.056 58.081 58.100 -0.126 0.000 1.397 92 Y CB 0.279 38.599 38.460 -0.232 0.000 1.163 92 Y HN 0.739 nan 8.280 nan 0.000 0.527 93 W N 8.208 129.178 121.300 -0.549 0.000 2.388 93 W HA 0.538 5.202 4.660 0.007 0.000 0.308 93 W C -1.142 175.039 176.519 -0.562 0.000 1.263 93 W CA -0.101 56.948 57.345 -0.495 0.000 1.286 93 W CB 0.663 29.830 29.460 -0.489 0.000 1.294 93 W HN 0.763 nan 8.180 nan 0.000 0.493 94 A N 3.962 126.129 122.820 -1.088 0.000 2.511 94 A HA 0.798 5.122 4.320 0.007 0.000 0.293 94 A C -0.368 176.707 177.584 -0.847 0.000 1.098 94 A CA -0.090 51.453 52.037 -0.823 0.000 0.643 94 A CB 0.804 19.542 19.000 -0.437 0.000 1.302 94 A HN 1.448 nan 8.150 nan 0.000 0.446 95 G N -0.993 107.461 108.800 -0.577 0.000 3.055 95 G HA2 0.621 4.585 3.960 0.007 0.000 0.685 95 G HA3 0.621 4.585 3.960 0.007 0.000 0.685 95 G C -0.525 174.159 174.900 -0.360 0.000 1.212 95 G CA 0.335 45.181 45.100 -0.423 0.000 0.822 95 G HN 2.708 nan 8.290 nan 0.000 0.610 96 S N 0.305 115.926 115.700 -0.132 0.000 2.565 96 S HA 0.896 5.370 4.470 0.007 0.000 0.269 96 S C 1.155 175.842 174.600 0.144 0.000 1.153 96 S CA 0.254 58.488 58.200 0.058 0.000 0.835 96 S CB 1.476 64.662 63.200 -0.023 0.000 1.122 96 S HN 2.395 nan 8.310 nan 0.000 0.462 97 A N 1.503 124.535 122.820 0.352 0.000 1.940 97 A HA 0.170 4.494 4.320 0.007 0.000 0.219 97 A C 1.971 179.862 177.584 0.512 0.000 1.176 97 A CA 2.039 54.405 52.037 0.548 0.000 0.631 97 A CB -1.505 17.863 19.000 0.614 0.000 0.814 97 A HN 1.480 nan 8.150 nan 0.000 0.446 98 G N -1.419 107.573 108.800 0.321 0.000 2.551 98 G HA2 0.074 4.039 3.960 0.007 0.000 0.216 98 G HA3 0.074 4.039 3.960 0.007 0.000 0.216 98 G C 1.301 176.360 174.900 0.266 0.000 1.137 98 G CA 0.872 46.140 45.100 0.280 0.000 0.798 98 G HN 0.632 nan 8.290 nan 0.000 0.536 99 E N -1.454 118.793 120.200 0.077 0.000 2.421 99 E HA 0.396 4.750 4.350 0.007 0.000 0.209 99 E C 0.734 177.040 176.600 -0.490 0.000 0.871 99 E CA 0.347 56.657 56.400 -0.151 0.000 1.064 99 E CB 1.381 30.890 29.700 -0.319 0.000 1.075 99 E HN 0.328 nan 8.360 nan 0.000 0.513 100 G N 1.341 109.591 108.800 -0.916 0.000 2.306 100 G HA2 0.045 4.009 3.960 0.007 0.000 0.340 100 G HA3 0.045 4.009 3.960 0.007 0.000 0.340 100 G C -0.202 174.270 174.900 -0.714 0.000 1.630 100 G CA -0.561 43.760 45.100 -1.298 0.000 0.937 100 G HN 0.161 nan 8.290 nan 0.000 0.693 101 I N -1.396 118.789 120.570 -0.642 0.000 4.082 101 I HA 0.580 4.754 4.170 0.007 0.000 0.337 101 I C 0.067 176.053 176.117 -0.218 0.000 1.352 101 I CA -0.181 60.926 61.300 -0.322 0.000 1.097 101 I CB 0.377 38.187 38.000 -0.317 0.000 1.048 101 I HN 0.219 nan 8.210 nan 0.000 0.393 102 I N 3.122 123.600 120.570 -0.154 0.000 2.382 102 I HA 0.462 4.636 4.170 0.007 0.000 0.286 102 I C -0.791 175.402 176.117 0.127 0.000 1.002 102 I CA -1.017 60.317 61.300 0.056 0.000 1.135 102 I CB 2.040 40.125 38.000 0.140 0.000 1.288 102 I HN -0.001 nan 8.210 nan 0.000 0.448 103 V N 8.344 128.380 119.914 0.204 0.000 2.612 103 V HA 0.664 4.788 4.120 0.007 0.000 0.301 103 V C -2.697 173.399 176.094 0.003 0.000 1.059 103 V CA -1.883 60.435 62.300 0.029 0.000 0.886 103 V CB 2.369 34.146 31.823 -0.076 0.000 1.007 103 V HN 0.429 nan 8.190 nan 0.000 0.426 104 P HA 0.491 nan 4.420 nan 0.000 0.276 104 P C -2.992 173.662 177.300 -1.076 0.000 1.252 104 P CA -2.113 60.577 63.100 -0.683 0.000 0.802 104 P CB 0.075 31.636 31.700 -0.232 0.000 1.035 105 P HA 0.084 nan 4.420 nan 0.000 0.275 105 P C -0.046 176.635 177.300 -1.032 0.000 1.227 105 P CA -0.071 62.006 63.100 -1.705 0.000 0.781 105 P CB 0.114 31.239 31.700 -0.959 0.000 0.906 106 S N 1.599 116.794 115.700 -0.842 0.000 2.573 106 S HA 0.229 4.704 4.470 0.007 0.000 0.277 106 S C 1.543 175.957 174.600 -0.311 0.000 1.346 106 S CA 0.012 57.956 58.200 -0.426 0.000 1.034 106 S CB 0.297 63.362 63.200 -0.225 0.000 0.879 106 S HN 0.524 nan 8.310 nan 0.000 0.528 107 A N 1.717 124.395 122.820 -0.235 0.000 2.024 107 A HA -0.163 4.161 4.320 0.007 0.000 0.220 107 A C 1.848 179.375 177.584 -0.095 0.000 1.164 107 A CA 1.694 53.639 52.037 -0.153 0.000 0.643 107 A CB -1.036 17.911 19.000 -0.089 0.000 0.806 107 A HN 0.989 nan 8.150 nan 0.000 0.451 108 D N -0.406 119.956 120.400 -0.063 0.000 2.183 108 D HA -0.082 4.562 4.640 0.007 0.000 0.203 108 D C 1.647 177.938 176.300 -0.015 0.000 0.969 108 D CA 1.409 55.404 54.000 -0.010 0.000 0.842 108 D CB -0.799 40.015 40.800 0.023 0.000 0.957 108 D HN 0.239 nan 8.370 nan 0.000 0.484 109 V N 0.699 120.593 119.914 -0.034 0.000 2.535 109 V HA -0.048 4.077 4.120 0.007 0.000 0.246 109 V C 2.633 178.672 176.094 -0.093 0.000 1.045 109 V CA 0.525 62.840 62.300 0.026 0.000 1.058 109 V CB -0.268 31.611 31.823 0.093 0.000 0.689 109 V HN 0.137 nan 8.190 nan 0.000 0.461 110 I N 0.402 120.846 120.570 -0.210 0.000 2.151 110 I HA -0.299 3.875 4.170 0.007 0.000 0.243 110 I C 2.272 178.122 176.117 -0.445 0.000 1.080 110 I CA 1.839 62.911 61.300 -0.380 0.000 1.339 110 I CB -0.550 37.233 38.000 -0.361 0.000 1.039 110 I HN 0.334 nan 8.210 nan 0.000 0.409 111 D N 1.105 121.356 120.400 -0.248 0.000 2.092 111 D HA -0.165 4.479 4.640 0.007 0.000 0.193 111 D C 2.277 178.460 176.300 -0.196 0.000 0.994 111 D CA 1.739 55.644 54.000 -0.158 0.000 0.828 111 D CB -0.363 40.399 40.800 -0.063 0.000 0.963 111 D HN 0.367 nan 8.370 nan 0.000 0.450 112 A N 0.438 123.123 122.820 -0.224 0.000 1.883 112 A HA -0.216 4.109 4.320 0.007 0.000 0.217 112 A C 2.376 179.395 177.584 -0.942 0.000 1.186 112 A CA 2.356 54.163 52.037 -0.383 0.000 0.624 112 A CB -0.992 17.938 19.000 -0.117 0.000 0.822 112 A HN 0.220 nan 8.150 nan 0.000 0.444 113 S N -1.264 113.800 115.700 -1.061 0.000 2.365 113 S HA -0.244 4.230 4.470 0.007 0.000 0.225 113 S C 1.875 176.248 174.600 -0.378 0.000 1.039 113 S CA 1.788 59.360 58.200 -1.046 0.000 1.033 113 S CB -0.585 62.407 63.200 -0.347 0.000 0.887 113 S HN 0.779 nan 8.310 nan 0.000 0.447 114 H N 0.081 118.971 119.070 -0.300 0.000 2.387 114 H HA 0.036 4.597 4.556 0.008 0.000 0.299 114 H C 2.559 177.798 175.328 -0.148 0.000 1.090 114 H CA 1.071 57.026 56.048 -0.155 0.000 1.332 114 H CB 0.019 29.732 29.762 -0.082 0.000 1.386 114 H HN 0.298 nan 8.280 nan 0.000 0.516 115 R N 0.639 121.101 120.500 -0.062 0.000 2.127 115 R HA -0.091 4.254 4.340 0.007 0.000 0.238 115 R C 1.057 177.315 176.300 -0.071 0.000 1.134 115 R CA 1.016 57.084 56.100 -0.053 0.000 0.975 115 R CB -0.038 30.225 30.300 -0.060 0.000 0.865 115 R HN 0.462 nan 8.270 nan 0.000 0.447 116 N N -0.173 118.427 118.700 -0.166 0.000 2.268 116 N HA 0.029 4.774 4.740 0.007 0.000 0.204 116 N C 0.498 176.002 175.510 -0.010 0.000 1.124 116 N CA 0.694 53.693 53.050 -0.085 0.000 0.838 116 N CB 1.306 39.724 38.487 -0.115 0.000 0.994 116 N HN 0.325 nan 8.380 nan 0.000 0.489 117 G N 0.862 109.651 108.800 -0.017 0.000 2.198 117 G HA2 -0.261 3.704 3.960 0.007 0.000 0.260 117 G HA3 -0.261 3.704 3.960 0.007 0.000 0.260 117 G C -0.058 174.872 174.900 0.050 0.000 1.025 117 G CA 0.087 45.191 45.100 0.006 0.000 0.769 117 G HN 0.197 nan 8.290 nan 0.000 0.507 118 V N 1.479 121.440 119.914 0.079 0.000 2.370 118 V HA 0.439 4.564 4.120 0.007 0.000 0.279 118 V C -1.687 174.514 176.094 0.178 0.000 1.029 118 V CA -1.758 60.639 62.300 0.160 0.000 0.870 118 V CB 1.808 33.807 31.823 0.293 0.000 0.984 118 V HN 0.117 nan 8.190 nan 0.000 0.451 119 P HA 0.323 nan 4.420 nan 0.000 0.271 119 P C -0.568 176.849 177.300 0.194 0.000 1.216 119 P CA 0.013 63.213 63.100 0.166 0.000 0.771 119 P CB 0.803 32.564 31.700 0.102 0.000 0.864 120 I N 3.545 124.255 120.570 0.233 0.000 2.433 120 I HA 0.353 4.527 4.170 0.007 0.000 0.292 120 I C -1.093 175.108 176.117 0.141 0.000 1.001 120 I CA -1.059 60.335 61.300 0.157 0.000 1.119 120 I CB 0.910 38.961 38.000 0.085 0.000 1.289 120 I HN 0.085 nan 8.210 nan 0.000 0.438 121 L N 6.940 128.217 121.223 0.091 0.000 2.325 121 L HA 0.632 4.976 4.340 0.007 0.000 0.278 121 L C 0.707 177.495 176.870 -0.137 0.000 1.023 121 L CA -0.736 54.146 54.840 0.070 0.000 0.811 121 L CB 1.444 43.623 42.059 0.201 0.000 1.249 121 L HN 0.645 nan 8.230 nan 0.000 0.431 122 G N 0.709 109.236 108.800 -0.456 0.000 2.580 122 G HA2 0.227 4.191 3.960 0.007 0.000 0.278 122 G HA3 0.227 4.191 3.960 0.007 0.000 0.278 122 G C -0.861 174.076 174.900 0.060 0.000 1.212 122 G CA -0.338 44.375 45.100 -0.645 0.000 0.939 122 G HN 0.569 nan 8.290 nan 0.000 0.513 123 N N -1.457 117.408 118.700 0.276 0.000 2.314 123 N HA 0.475 5.220 4.740 0.007 0.000 0.294 123 N C -1.018 174.760 175.510 0.447 0.000 1.029 123 N CA -0.445 52.823 53.050 0.364 0.000 0.845 123 N CB 2.163 40.630 38.487 -0.034 0.000 1.321 123 N HN 0.150 nan 8.380 nan 0.000 0.481 124 V N 4.060 124.194 119.914 0.366 0.000 2.293 124 V HA 0.377 4.502 4.120 0.007 0.000 0.275 124 V C -0.870 175.166 176.094 -0.097 0.000 1.021 124 V CA -0.691 61.622 62.300 0.022 0.000 0.815 124 V CB 0.066 31.855 31.823 -0.058 0.000 1.025 124 V HN 0.565 nan 8.190 nan 0.000 0.448 125 F N 6.501 126.236 119.950 -0.358 0.000 2.293 125 F HA 0.612 5.143 4.527 0.007 0.000 0.370 125 F C -0.489 175.179 175.800 -0.220 0.000 1.090 125 F CA -1.388 56.458 58.000 -0.257 0.000 1.133 125 F CB 0.566 39.383 39.000 -0.307 0.000 1.360 125 F HN 0.367 nan 8.300 nan 0.000 0.489 126 F N 7.172 126.954 119.950 -0.281 0.000 2.423 126 F HA 0.370 4.902 4.527 0.007 0.000 0.356 126 F C -2.156 173.371 175.800 -0.454 0.000 1.170 126 F CA -2.768 55.112 58.000 -0.199 0.000 1.163 126 F CB -0.132 38.830 39.000 -0.063 0.000 1.318 126 F HN 0.318 nan 8.300 nan 0.000 0.569 127 P HA 0.197 nan 4.420 nan 0.000 0.278 127 P C -2.560 174.806 177.300 0.111 0.000 1.238 127 P CA -1.603 61.345 63.100 -0.253 0.000 0.794 127 P CB 0.305 32.142 31.700 0.227 0.000 0.955 128 P HA -0.070 nan 4.420 nan 0.000 0.266 128 P C 1.185 178.569 177.300 0.141 0.000 1.193 128 P CA 0.501 63.731 63.100 0.216 0.000 0.770 128 P CB -0.091 31.790 31.700 0.302 0.000 0.836 129 T N -1.530 113.058 114.554 0.057 0.000 2.803 129 T HA -0.148 4.206 4.350 0.007 0.000 0.269 129 T C 1.472 176.160 174.700 -0.019 0.000 1.052 129 T CA 1.478 63.588 62.100 0.017 0.000 1.136 129 T CB -1.272 67.587 68.868 -0.015 0.000 0.864 129 T HN 0.140 nan 8.240 nan 0.000 0.467 130 V N -0.513 119.321 119.914 -0.133 0.000 2.867 130 V HA -0.064 4.061 4.120 0.007 0.000 0.260 130 V C 1.482 177.412 176.094 -0.274 0.000 1.099 130 V CA 1.052 63.183 62.300 -0.281 0.000 1.122 130 V CB -1.246 30.259 31.823 -0.530 0.000 0.708 130 V HN 0.530 nan 8.190 nan 0.000 0.490 131 Y N 0.274 120.673 120.300 0.165 0.000 2.636 131 Y HA 0.577 5.132 4.550 0.007 0.000 0.260 131 Y C 1.716 177.750 175.900 0.222 0.000 1.177 131 Y CA -0.470 57.751 58.100 0.202 0.000 1.209 131 Y CB 0.292 38.910 38.460 0.263 0.000 1.166 131 Y HN 0.250 nan 8.280 nan 0.000 0.531 132 G N -0.509 108.447 108.800 0.260 0.000 2.157 132 G HA2 -0.226 3.738 3.960 0.007 0.000 0.239 132 G HA3 -0.226 3.738 3.960 0.007 0.000 0.239 132 G C 0.814 175.851 174.900 0.228 0.000 0.982 132 G CA -0.197 45.045 45.100 0.236 0.000 0.650 132 G HN 0.763 nan 8.290 nan 0.000 0.527 133 G N -0.563 108.376 108.800 0.232 0.000 2.474 133 G HA2 0.424 4.388 3.960 0.007 0.000 0.233 133 G HA3 0.424 4.388 3.960 0.007 0.000 0.233 133 G C -0.088 174.718 174.900 -0.157 0.000 1.278 133 G CA 0.325 45.530 45.100 0.176 0.000 0.861 133 G HN 0.414 nan 8.290 nan 0.000 0.567 134 Q N 1.500 121.057 119.800 -0.405 0.000 2.275 134 Q HA 0.219 4.564 4.340 0.007 0.000 0.266 134 Q C 1.214 177.013 176.000 -0.335 0.000 1.002 134 Q CA -0.729 54.694 55.803 -0.633 0.000 0.761 134 Q CB 2.006 29.857 28.738 -1.477 0.000 1.255 134 Q HN 0.524 nan 8.270 nan 0.000 0.446 135 L N 1.355 122.453 121.223 -0.208 0.000 2.089 135 L HA -0.295 4.049 4.340 0.007 0.000 0.213 135 L C 2.206 179.013 176.870 -0.105 0.000 1.079 135 L CA 1.718 56.479 54.840 -0.131 0.000 0.758 135 L CB 0.073 42.065 42.059 -0.112 0.000 0.891 135 L HN 0.790 nan 8.230 nan 0.000 0.433 136 E N -0.433 119.667 120.200 -0.166 0.000 2.065 136 E HA -0.285 4.069 4.350 0.007 0.000 0.201 136 E C 2.051 178.710 176.600 0.099 0.000 1.016 136 E CA 2.042 58.393 56.400 -0.083 0.000 0.818 136 E CB -0.152 29.450 29.700 -0.163 0.000 0.749 136 E HN 0.455 nan 8.360 nan 0.000 0.453 137 W N 0.459 121.829 121.300 0.115 0.000 2.321 137 W HA -0.206 4.459 4.660 0.007 0.000 0.306 137 W C 2.304 178.949 176.519 0.210 0.000 1.217 137 W CA 0.565 58.038 57.345 0.214 0.000 1.257 137 W CB -1.406 28.250 29.460 0.326 0.000 1.145 137 W HN 0.294 nan 8.180 nan 0.000 0.509 138 L N 1.195 122.556 121.223 0.230 0.000 2.056 138 L HA -0.148 4.197 4.340 0.007 0.000 0.207 138 L C 2.231 179.039 176.870 -0.103 0.000 1.078 138 L CA 2.039 56.730 54.840 -0.247 0.000 0.749 138 L CB -1.028 40.705 42.059 -0.544 0.000 0.901 138 L HN -0.174 nan 8.230 nan 0.000 0.433 139 E N -0.275 119.915 120.200 -0.018 0.000 2.077 139 E HA -0.251 4.103 4.350 0.007 0.000 0.193 139 E C 2.116 178.763 176.600 0.078 0.000 0.989 139 E CA 1.439 57.847 56.400 0.013 0.000 0.800 139 E CB -0.313 29.392 29.700 0.009 0.000 0.746 139 E HN 0.692 nan 8.360 nan 0.000 0.452 140 Q N -0.115 119.766 119.800 0.135 0.000 2.061 140 Q HA -0.115 4.229 4.340 0.007 0.000 0.204 140 Q C 2.205 178.312 176.000 0.179 0.000 0.984 140 Q CA 1.319 57.222 55.803 0.167 0.000 0.846 140 Q CB -0.136 28.739 28.738 0.228 0.000 0.902 140 Q HN 0.212 nan 8.270 nan 0.000 0.421 141 M N 0.014 119.730 119.600 0.194 0.000 2.213 141 M HA -0.107 4.378 4.480 0.007 0.000 0.263 141 M C 1.746 178.158 176.300 0.187 0.000 1.062 141 M CA 1.299 56.708 55.300 0.181 0.000 1.105 141 M CB -0.451 32.258 32.600 0.181 0.000 1.385 141 M HN 0.250 nan 8.290 nan 0.000 0.417 142 L N -0.565 120.739 121.223 0.135 0.000 2.611 142 L HA 0.082 4.427 4.340 0.007 0.000 0.229 142 L C 0.358 177.458 176.870 0.384 0.000 1.137 142 L CA -0.270 54.729 54.840 0.265 0.000 0.901 142 L CB -0.212 41.902 42.059 0.090 0.000 1.098 142 L HN 0.220 nan 8.230 nan 0.000 0.456 143 E N 1.271 121.620 120.200 0.247 0.000 2.442 143 E HA 0.028 4.382 4.350 0.007 0.000 0.262 143 E C -0.081 176.496 176.600 -0.038 0.000 1.004 143 E CA 0.485 56.947 56.400 0.103 0.000 0.928 143 E CB 0.562 30.305 29.700 0.072 0.000 0.937 143 E HN 0.150 nan 8.360 nan 0.000 0.446 144 Q N 2.135 121.794 119.800 -0.236 0.000 2.323 144 Q HA 0.144 4.488 4.340 0.007 0.000 0.271 144 Q C -0.937 174.863 176.000 -0.334 0.000 1.048 144 Q CA -0.754 54.713 55.803 -0.560 0.000 0.792 144 Q CB 1.359 29.642 28.738 -0.759 0.000 1.280 144 Q HN 0.424 nan 8.270 nan 0.000 0.441 145 E N 1.658 121.661 120.200 -0.327 0.000 2.342 145 E HA 0.006 4.361 4.350 0.007 0.000 0.257 145 E C 0.418 176.908 176.600 -0.183 0.000 1.150 145 E CA 0.055 56.337 56.400 -0.198 0.000 0.926 145 E CB 0.743 30.348 29.700 -0.157 0.000 1.074 145 E HN 0.679 nan 8.360 nan 0.000 0.449 146 E N 0.674 120.802 120.200 -0.120 0.000 2.118 146 E HA -0.242 4.112 4.350 0.007 0.000 0.195 146 E C 1.349 177.889 176.600 -0.100 0.000 0.992 146 E CA 1.007 57.349 56.400 -0.096 0.000 0.804 146 E CB 0.009 29.670 29.700 -0.065 0.000 0.741 146 E HN 0.416 nan 8.360 nan 0.000 0.458 147 D N -0.182 120.158 120.400 -0.099 0.000 2.244 147 D HA -0.220 4.424 4.640 0.007 0.000 0.197 147 D C 1.643 177.876 176.300 -0.112 0.000 1.006 147 D CA 2.139 56.087 54.000 -0.088 0.000 0.888 147 D CB -0.269 40.480 40.800 -0.085 0.000 0.912 147 D HN 0.403 nan 8.370 nan 0.000 0.452 148 G N -0.924 107.757 108.800 -0.197 0.000 2.258 148 G HA2 -0.277 3.687 3.960 0.007 0.000 0.233 148 G HA3 -0.277 3.687 3.960 0.007 0.000 0.233 148 G C 0.446 175.077 174.900 -0.448 0.000 1.006 148 G CA 0.855 45.807 45.100 -0.247 0.000 0.620 148 G HN 0.811 nan 8.290 nan 0.000 0.511 149 S N 0.054 115.498 115.700 -0.426 0.000 2.584 149 S HA 0.636 5.111 4.470 0.007 0.000 0.270 149 S C -0.193 173.908 174.600 -0.833 0.000 1.346 149 S CA -0.171 57.586 58.200 -0.738 0.000 1.018 149 S CB 0.860 63.898 63.200 -0.271 0.000 0.899 149 S HN 0.548 nan 8.310 nan 0.000 0.542 150 F N 1.696 121.071 119.950 -0.958 0.000 2.347 150 F HA 0.397 4.928 4.527 0.007 0.000 0.366 150 F C -1.771 173.953 175.800 -0.127 0.000 1.107 150 F CA -2.148 55.639 58.000 -0.355 0.000 1.058 150 F CB 1.739 40.608 39.000 -0.219 0.000 1.236 150 F HN 0.417 nan 8.300 nan 0.000 0.456 151 P HA -0.187 nan 4.420 nan 0.000 0.215 151 P C 1.571 178.949 177.300 0.130 0.000 1.153 151 P CA 1.318 64.468 63.100 0.084 0.000 0.853 151 P CB 0.247 31.974 31.700 0.046 0.000 0.788 152 L N -1.182 120.159 121.223 0.197 0.000 2.217 152 L HA -0.019 4.326 4.340 0.007 0.000 0.211 152 L C 2.449 179.436 176.870 0.195 0.000 1.107 152 L CA 1.442 56.394 54.840 0.186 0.000 0.783 152 L CB -1.583 40.610 42.059 0.223 0.000 0.919 152 L HN -0.106 nan 8.230 nan 0.000 0.442 153 A N -0.532 122.428 122.820 0.233 0.000 1.933 153 A HA -0.211 4.114 4.320 0.007 0.000 0.218 153 A C 2.030 179.640 177.584 0.042 0.000 1.175 153 A CA 1.819 53.837 52.037 -0.033 0.000 0.628 153 A CB -0.509 18.274 19.000 -0.362 0.000 0.814 153 A HN 0.355 nan 8.150 nan 0.000 0.444 154 D N -0.102 120.388 120.400 0.149 0.000 2.144 154 D HA -0.111 4.534 4.640 0.007 0.000 0.199 154 D C 1.799 178.130 176.300 0.052 0.000 0.984 154 D CA 0.994 55.063 54.000 0.116 0.000 0.834 154 D CB -0.137 40.747 40.800 0.140 0.000 0.955 154 D HN 0.251 nan 8.370 nan 0.000 0.465 155 K N 0.513 120.931 120.400 0.030 0.000 2.148 155 K HA -0.021 4.303 4.320 0.007 0.000 0.204 155 K C 2.345 178.913 176.600 -0.053 0.000 1.050 155 K CA 0.185 56.462 56.287 -0.017 0.000 0.942 155 K CB -0.319 32.140 32.500 -0.070 0.000 0.724 155 K HN 0.274 nan 8.250 nan 0.000 0.446 156 L N 0.557 121.719 121.223 -0.101 0.000 2.027 156 L HA -0.153 4.192 4.340 0.007 0.000 0.206 156 L C 2.428 179.395 176.870 0.162 0.000 1.074 156 L CA 1.017 55.734 54.840 -0.205 0.000 0.745 156 L CB -0.515 41.185 42.059 -0.598 0.000 0.898 156 L HN 0.095 nan 8.230 nan 0.000 0.433 157 L N -0.400 120.876 121.223 0.089 0.000 2.056 157 L HA -0.214 4.130 4.340 0.007 0.000 0.207 157 L C 2.629 179.551 176.870 0.088 0.000 1.078 157 L CA 1.310 56.215 54.840 0.108 0.000 0.749 157 L CB -0.555 41.522 42.059 0.029 0.000 0.901 157 L HN 0.367 nan 8.230 nan 0.000 0.433 158 E N 0.392 120.641 120.200 0.081 0.000 2.077 158 E HA -0.190 4.164 4.350 0.007 0.000 0.193 158 E C 2.232 178.917 176.600 0.142 0.000 0.989 158 E CA 1.455 57.914 56.400 0.099 0.000 0.800 158 E CB 0.141 29.895 29.700 0.091 0.000 0.746 158 E HN 0.251 nan 8.360 nan 0.000 0.452 159 V N 1.436 121.431 119.914 0.136 0.000 2.295 159 V HA -0.282 3.842 4.120 0.007 0.000 0.246 159 V C 2.550 178.674 176.094 0.050 0.000 1.049 159 V CA 1.923 64.279 62.300 0.094 0.000 1.024 159 V CB -0.889 31.070 31.823 0.227 0.000 0.648 159 V HN 0.462 nan 8.190 nan 0.000 0.447 160 A N -0.060 122.694 122.820 -0.109 0.000 1.940 160 A HA -0.327 3.997 4.320 0.007 0.000 0.219 160 A C 2.026 179.366 177.584 -0.406 0.000 1.176 160 A CA 2.390 53.904 52.037 -0.871 0.000 0.631 160 A CB -0.701 17.946 19.000 -0.587 0.000 0.814 160 A HN 0.669 nan 8.150 nan 0.000 0.446 161 D N -2.398 117.940 120.400 -0.103 0.000 2.103 161 D HA -0.179 4.465 4.640 0.007 0.000 0.199 161 D C 1.780 178.114 176.300 0.058 0.000 0.978 161 D CA 1.346 55.337 54.000 -0.014 0.000 0.829 161 D CB -0.238 40.584 40.800 0.036 0.000 0.981 161 D HN 0.470 nan 8.370 nan 0.000 0.464 162 Y N -0.577 119.726 120.300 0.005 0.000 2.133 162 Y HA -0.202 4.353 4.550 0.007 0.000 0.287 162 Y C 1.640 177.655 175.900 0.191 0.000 1.134 162 Y CA 1.571 59.711 58.100 0.066 0.000 1.133 162 Y CB -0.307 38.192 38.460 0.065 0.000 0.987 162 Y HN 0.075 nan 8.280 nan 0.000 0.502 163 Y N -0.160 120.294 120.300 0.255 0.000 2.395 163 Y HA 0.198 4.753 4.550 0.007 0.000 0.293 163 Y C 1.928 177.884 175.900 0.093 0.000 1.123 163 Y CA 0.518 58.743 58.100 0.209 0.000 1.227 163 Y CB -0.593 38.133 38.460 0.443 0.000 1.012 163 Y HN 0.239 nan 8.280 nan 0.000 0.552 164 G N 0.244 109.159 108.800 0.192 0.000 2.356 164 G HA2 -0.200 3.764 3.960 0.007 0.000 0.233 164 G HA3 -0.200 3.764 3.960 0.007 0.000 0.233 164 G C -0.256 174.794 174.900 0.250 0.000 1.105 164 G CA 0.045 45.221 45.100 0.126 0.000 0.861 164 G HN 0.319 nan 8.290 nan 0.000 0.493 165 F N -2.098 117.900 119.950 0.080 0.000 2.782 165 F HA 0.845 5.377 4.527 0.008 0.000 0.366 165 F C 0.197 176.035 175.800 0.065 0.000 1.171 165 F CA -1.497 56.537 58.000 0.057 0.000 1.064 165 F CB 0.758 39.699 39.000 -0.100 0.000 1.449 165 F HN -0.114 nan 8.300 nan 0.000 0.520 166 D N -0.193 120.340 120.400 0.222 0.000 2.538 166 D HA 0.445 5.089 4.640 0.007 0.000 0.231 166 D C 0.580 176.968 176.300 0.146 0.000 1.229 166 D CA 0.593 54.677 54.000 0.139 0.000 0.828 166 D CB 0.816 41.731 40.800 0.191 0.000 1.035 166 D HN 1.018 nan 8.370 nan 0.000 0.495 167 G N 0.508 109.349 108.800 0.068 0.000 2.270 167 G HA2 0.039 4.004 3.960 0.007 0.000 0.268 167 G HA3 0.039 4.004 3.960 0.007 0.000 0.268 167 G C -2.041 172.868 174.900 0.015 0.000 1.312 167 G CA -1.072 44.135 45.100 0.178 0.000 1.050 167 G HN 0.115 nan 8.290 nan 0.000 0.474 168 W N -1.151 120.377 121.300 0.380 0.000 3.217 168 W HA 0.647 5.311 4.660 0.006 0.000 0.323 168 W C -0.985 175.783 176.519 0.415 0.000 1.216 168 W CA -0.768 56.814 57.345 0.394 0.000 1.194 168 W CB 1.787 31.454 29.460 0.346 0.000 1.397 168 W HN 0.541 nan 8.180 nan 0.000 0.537 169 F N 4.682 124.933 119.950 0.502 0.000 2.420 169 F HA 0.643 5.175 4.527 0.007 0.000 0.342 169 F C -0.400 175.639 175.800 0.398 0.000 1.113 169 F CA -0.784 57.456 58.000 0.399 0.000 1.059 169 F CB 0.554 39.739 39.000 0.308 0.000 1.128 169 F HN 0.004 nan 8.300 nan 0.000 0.475 170 I N 5.330 125.824 120.570 -0.127 0.000 2.355 170 I HA 0.212 4.387 4.170 0.007 0.000 0.288 170 I C -0.817 175.117 176.117 -0.306 0.000 0.999 170 I CA -0.558 60.753 61.300 0.018 0.000 1.163 170 I CB 1.110 39.300 38.000 0.318 0.000 1.316 170 I HN 0.619 nan 8.210 nan 0.000 0.454 171 N N 5.426 124.133 118.700 0.011 0.000 2.626 171 N HA 0.145 4.890 4.740 0.007 0.000 0.242 171 N C -0.589 175.006 175.510 0.141 0.000 1.005 171 N CA -0.365 52.762 53.050 0.129 0.000 0.905 171 N CB 0.944 39.765 38.487 0.557 0.000 1.128 171 N HN 0.376 nan 8.380 nan 0.000 0.512 172 Q N 2.502 122.270 119.800 -0.053 0.000 2.430 172 Q HA 0.206 4.551 4.340 0.007 0.000 0.245 172 Q C -0.643 175.334 176.000 -0.037 0.000 1.021 172 Q CA 0.149 55.967 55.803 0.024 0.000 0.867 172 Q CB 0.872 29.556 28.738 -0.089 0.000 1.210 172 Q HN 0.732 nan 8.270 nan 0.000 0.487 173 E N 1.309 121.540 120.200 0.052 0.000 2.676 173 E HA 0.135 4.489 4.350 0.007 0.000 0.222 173 E C -0.521 176.110 176.600 0.051 0.000 0.968 173 E CA -0.017 56.427 56.400 0.073 0.000 1.090 173 E CB 1.019 30.877 29.700 0.262 0.000 1.066 173 E HN 0.395 nan 8.360 nan 0.000 0.496 174 T N 2.292 116.860 114.554 0.024 0.000 2.779 174 T HA 0.118 4.472 4.350 0.007 0.000 0.296 174 T C 0.099 174.773 174.700 -0.043 0.000 0.938 174 T CA -0.008 62.097 62.100 0.010 0.000 1.119 174 T CB 0.752 69.628 68.868 0.014 0.000 0.891 174 T HN 0.014 nan 8.240 nan 0.000 0.526 175 E N 1.151 121.333 120.200 -0.030 0.000 2.371 175 E HA 0.503 4.857 4.350 0.007 0.000 0.257 175 E C 1.381 177.948 176.600 -0.055 0.000 1.134 175 E CA 0.329 56.700 56.400 -0.047 0.000 0.919 175 E CB 0.274 29.959 29.700 -0.025 0.000 1.025 175 E HN 0.801 nan 8.360 nan 0.000 0.438 176 G N -0.543 108.225 108.800 -0.054 0.000 2.159 176 G HA2 -0.161 3.804 3.960 0.007 0.000 0.227 176 G HA3 -0.161 3.804 3.960 0.007 0.000 0.227 176 G C 0.170 175.038 174.900 -0.054 0.000 0.986 176 G CA -0.188 44.881 45.100 -0.051 0.000 0.651 176 G HN 0.737 nan 8.290 nan 0.000 0.523 177 A N 0.671 123.455 122.820 -0.060 0.000 2.328 177 A HA 0.633 4.957 4.320 0.007 0.000 0.284 177 A C 0.512 178.074 177.584 -0.036 0.000 1.160 177 A CA 0.462 52.465 52.037 -0.055 0.000 0.818 177 A CB 0.411 19.370 19.000 -0.069 0.000 1.087 177 A HN 0.736 nan 8.150 nan 0.000 0.504 178 D N 0.855 121.238 120.400 -0.027 0.000 2.506 178 D HA 0.144 4.789 4.640 0.007 0.000 0.272 178 D C 0.810 177.106 176.300 -0.008 0.000 1.214 178 D CA -0.276 53.713 54.000 -0.017 0.000 1.067 178 D CB 0.277 41.067 40.800 -0.016 0.000 1.117 178 D HN 0.567 nan 8.370 nan 0.000 0.578 179 E N -1.053 119.144 120.200 -0.005 0.000 2.268 179 E HA -0.067 4.287 4.350 0.007 0.000 0.195 179 E C 1.972 178.571 176.600 -0.001 0.000 0.995 179 E CA 1.006 57.405 56.400 -0.000 0.000 0.836 179 E CB -0.535 29.162 29.700 -0.005 0.000 0.763 179 E HN 0.621 nan 8.360 nan 0.000 0.491 180 G N -0.219 108.579 108.800 -0.003 0.000 2.402 180 G HA2 -0.231 3.733 3.960 0.007 0.000 0.216 180 G HA3 -0.231 3.733 3.960 0.007 0.000 0.216 180 G C 1.593 176.499 174.900 0.010 0.000 1.162 180 G CA 1.157 46.258 45.100 0.002 0.000 0.777 180 G HN 0.243 nan 8.290 nan 0.000 0.539 181 T N 1.767 116.322 114.554 0.003 0.000 2.746 181 T HA -0.005 4.349 4.350 0.007 0.000 0.267 181 T C 2.831 177.542 174.700 0.018 0.000 1.039 181 T CA 1.518 63.617 62.100 -0.001 0.000 1.142 181 T CB -0.408 68.442 68.868 -0.029 0.000 0.866 181 T HN 0.369 nan 8.240 nan 0.000 0.444 182 A N 1.845 124.685 122.820 0.035 0.000 1.873 182 A HA -0.213 4.111 4.320 0.007 0.000 0.218 182 A C 2.197 179.798 177.584 0.028 0.000 1.193 182 A CA 1.960 54.050 52.037 0.089 0.000 0.629 182 A CB -0.718 18.343 19.000 0.102 0.000 0.826 182 A HN 0.601 nan 8.150 nan 0.000 0.447 183 E N -0.414 119.780 120.200 -0.010 0.000 2.110 183 E HA -0.114 4.240 4.350 0.007 0.000 0.193 183 E C 2.273 178.882 176.600 0.016 0.000 0.988 183 E CA 0.916 57.295 56.400 -0.035 0.000 0.804 183 E CB -0.298 29.388 29.700 -0.023 0.000 0.745 183 E HN 0.642 nan 8.360 nan 0.000 0.458 184 A N 1.059 123.915 122.820 0.060 0.000 1.898 184 A HA -0.198 4.126 4.320 0.007 0.000 0.216 184 A C 2.131 179.778 177.584 0.105 0.000 1.181 184 A CA 1.472 53.597 52.037 0.148 0.000 0.620 184 A CB -0.411 18.684 19.000 0.159 0.000 0.819 184 A HN 0.201 nan 8.150 nan 0.000 0.442 185 M N -0.015 119.609 119.600 0.040 0.000 2.080 185 M HA -0.230 4.254 4.480 0.007 0.000 0.260 185 M C 2.108 178.415 176.300 0.011 0.000 1.068 185 M CA 2.107 57.417 55.300 0.017 0.000 1.109 185 M CB -0.582 32.062 32.600 0.073 0.000 1.342 185 M HN 0.525 nan 8.290 nan 0.000 0.405 186 Q N -0.609 119.155 119.800 -0.061 0.000 2.124 186 Q HA -0.127 4.218 4.340 0.007 0.000 0.202 186 Q C 2.128 178.086 176.000 -0.070 0.000 0.977 186 Q CA 1.766 57.468 55.803 -0.169 0.000 0.850 186 Q CB -0.444 28.107 28.738 -0.311 0.000 0.901 186 Q HN 0.716 nan 8.270 nan 0.000 0.429 187 A N 0.405 123.227 122.820 0.003 0.000 1.898 187 A HA -0.174 4.151 4.320 0.007 0.000 0.216 187 A C 1.863 179.397 177.584 -0.083 0.000 1.181 187 A CA 0.960 53.048 52.037 0.085 0.000 0.620 187 A CB -0.790 18.384 19.000 0.291 0.000 0.819 187 A HN 0.465 nan 8.150 nan 0.000 0.442 188 F N 0.769 120.362 119.950 -0.595 0.000 2.095 188 F HA -0.206 4.326 4.527 0.008 0.000 0.298 188 F C 1.906 177.512 175.800 -0.323 0.000 1.104 188 F CA 1.983 59.395 58.000 -0.980 0.000 1.232 188 F CB -0.199 38.325 39.000 -0.794 0.000 0.987 188 F HN 0.155 nan 8.300 nan 0.000 0.475 189 L N -0.626 120.648 121.223 0.084 0.000 2.046 189 L HA -0.218 4.127 4.340 0.007 0.000 0.208 189 L C 2.351 179.201 176.870 -0.032 0.000 1.077 189 L CA 0.951 55.831 54.840 0.067 0.000 0.747 189 L CB -0.936 41.159 42.059 0.060 0.000 0.896 189 L HN 0.031 nan 8.230 nan 0.000 0.432 190 V N -0.978 118.917 119.914 -0.031 0.000 2.407 190 V HA -0.323 3.801 4.120 0.007 0.000 0.248 190 V C 2.260 178.357 176.094 0.005 0.000 1.055 190 V CA 1.783 64.076 62.300 -0.011 0.000 1.049 190 V CB -0.662 31.166 31.823 0.009 0.000 0.662 190 V HN 0.405 nan 8.190 nan 0.000 0.455 191 Y N 0.130 120.358 120.300 -0.120 0.000 2.181 191 Y HA -0.233 4.322 4.550 0.008 0.000 0.288 191 Y C 2.218 178.029 175.900 -0.148 0.000 1.146 191 Y CA 1.434 59.477 58.100 -0.095 0.000 1.164 191 Y CB -0.293 38.142 38.460 -0.041 0.000 0.982 191 Y HN 0.114 nan 8.280 nan 0.000 0.515 192 L N 0.581 121.641 121.223 -0.272 0.000 1.990 192 L HA -0.295 4.049 4.340 0.007 0.000 0.213 192 L C 2.433 179.193 176.870 -0.184 0.000 1.072 192 L CA 1.836 56.516 54.840 -0.268 0.000 0.755 192 L CB -1.505 40.458 42.059 -0.160 0.000 0.889 192 L HN 0.323 nan 8.230 nan 0.000 0.432 193 Q N -0.402 119.331 119.800 -0.112 0.000 2.135 193 Q HA -0.222 4.123 4.340 0.007 0.000 0.204 193 Q C 2.140 178.082 176.000 -0.097 0.000 0.981 193 Q CA 1.577 57.336 55.803 -0.074 0.000 0.856 193 Q CB -0.207 28.506 28.738 -0.041 0.000 0.902 193 Q HN 0.636 nan 8.270 nan 0.000 0.425 194 E N -0.098 120.018 120.200 -0.140 0.000 2.112 194 E HA -0.112 4.242 4.350 0.007 0.000 0.190 194 E C 1.873 178.355 176.600 -0.197 0.000 0.979 194 E CA 0.546 56.863 56.400 -0.139 0.000 0.814 194 E CB 0.177 29.808 29.700 -0.116 0.000 0.762 194 E HN 0.272 nan 8.360 nan 0.000 0.460 195 Q N 1.043 120.639 119.800 -0.340 0.000 2.424 195 Q HA 0.015 4.359 4.340 0.007 0.000 0.204 195 Q C 0.395 176.288 176.000 -0.178 0.000 0.933 195 Q CA 0.396 56.005 55.803 -0.323 0.000 0.929 195 Q CB 0.031 28.416 28.738 -0.589 0.000 1.037 195 Q HN 0.283 nan 8.270 nan 0.000 0.511 196 K N 1.605 121.926 120.400 -0.131 0.000 2.258 196 K HA 0.355 4.679 4.320 0.007 0.000 0.264 196 K C -2.386 174.196 176.600 -0.030 0.000 1.007 196 K CA -1.501 54.755 56.287 -0.053 0.000 0.941 196 K CB -0.020 32.474 32.500 -0.011 0.000 0.966 196 K HN -0.262 nan 8.250 nan 0.000 0.480 197 P HA -0.022 nan 4.420 nan 0.000 0.272 197 P C -0.823 176.484 177.300 0.011 0.000 1.223 197 P CA -0.372 62.728 63.100 -0.001 0.000 0.784 197 P CB 0.558 32.260 31.700 0.003 0.000 0.923 198 E N 0.758 120.965 120.200 0.012 0.000 2.452 198 E HA 0.165 4.519 4.350 0.007 0.000 0.261 198 E C 1.049 177.669 176.600 0.034 0.000 0.987 198 E CA 0.964 57.377 56.400 0.022 0.000 0.926 198 E CB -0.391 29.321 29.700 0.019 0.000 0.934 198 E HN 0.740 nan 8.360 nan 0.000 0.452 199 G N 3.736 112.567 108.800 0.052 0.000 2.284 199 G HA2 -0.337 3.627 3.960 0.007 0.000 0.230 199 G HA3 -0.337 3.627 3.960 0.007 0.000 0.230 199 G C 0.387 175.351 174.900 0.107 0.000 1.021 199 G CA 0.232 45.375 45.100 0.072 0.000 0.619 199 G HN 0.623 nan 8.290 nan 0.000 0.510 200 M N 1.182 120.838 119.600 0.093 0.000 2.252 200 M HA 0.545 5.029 4.480 0.007 0.000 0.333 200 M C 0.030 176.441 176.300 0.185 0.000 1.111 200 M CA 0.112 55.490 55.300 0.131 0.000 1.140 200 M CB 0.385 33.044 32.600 0.098 0.000 1.538 200 M HN 0.385 nan 8.290 nan 0.000 0.448 201 H N 4.577 123.735 119.070 0.147 0.000 2.658 201 H HA 0.467 5.027 4.556 0.007 0.000 0.337 201 H C -1.521 173.951 175.328 0.240 0.000 1.009 201 H CA -0.819 55.336 56.048 0.178 0.000 1.231 201 H CB 0.887 30.752 29.762 0.171 0.000 1.508 201 H HN 0.568 nan 8.280 nan 0.000 0.517 202 I N 6.150 126.816 120.570 0.159 0.000 2.330 202 I HA 0.224 4.398 4.170 0.007 0.000 0.289 202 I C -0.236 176.057 176.117 0.293 0.000 1.001 202 I CA -0.474 61.004 61.300 0.298 0.000 1.193 202 I CB 0.926 39.071 38.000 0.242 0.000 1.345 202 I HN 0.700 nan 8.210 nan 0.000 0.461 203 M N 7.226 127.088 119.600 0.438 0.000 2.294 203 M HA 0.388 4.872 4.480 0.007 0.000 0.335 203 M C -1.577 174.846 176.300 0.204 0.000 1.079 203 M CA -0.452 55.102 55.300 0.423 0.000 0.982 203 M CB 2.324 35.264 32.600 0.568 0.000 1.651 203 M HN 0.713 nan 8.290 nan 0.000 0.437 204 W N 5.985 127.317 121.300 0.053 0.000 2.520 204 W HA 0.303 4.968 4.660 0.008 0.000 0.323 204 W C -1.935 174.581 176.519 -0.005 0.000 1.062 204 W CA -0.708 56.609 57.345 -0.048 0.000 1.215 204 W CB 0.882 30.381 29.460 0.065 0.000 1.340 204 W HN 0.724 nan 8.180 nan 0.000 0.516 205 Y N 5.170 124.832 120.300 -1.063 0.000 2.346 205 Y HA 0.059 4.614 4.550 0.007 0.000 0.330 205 Y C 0.527 175.965 175.900 -0.769 0.000 1.178 205 Y CA 0.015 57.739 58.100 -0.627 0.000 1.331 205 Y CB 0.521 38.728 38.460 -0.421 0.000 1.253 205 Y HN 0.443 nan 8.280 nan 0.000 0.529 206 D N 3.334 123.523 120.400 -0.352 0.000 2.479 206 D HA 0.058 4.703 4.640 0.007 0.000 0.253 206 D C 0.085 175.929 176.300 -0.761 0.000 1.278 206 D CA 0.865 54.655 54.000 -0.349 0.000 1.145 206 D CB -0.168 40.577 40.800 -0.092 0.000 1.118 206 D HN 0.617 nan 8.370 nan 0.000 0.513 207 S N 2.735 117.978 115.700 -0.761 0.000 4.207 207 S HA 0.132 4.606 4.470 0.007 0.000 0.177 207 S C 0.766 175.017 174.600 -0.581 0.000 0.981 207 S CA -0.617 57.071 58.200 -0.852 0.000 1.097 207 S CB -0.386 62.322 63.200 -0.821 0.000 1.525 207 S HN 0.336 nan 8.310 nan 0.000 0.686 208 M N 3.728 123.089 119.600 -0.398 0.000 2.268 208 M HA 0.349 4.833 4.480 0.007 0.000 0.349 208 M C -0.055 176.156 176.300 -0.149 0.000 1.485 208 M CA -0.464 54.703 55.300 -0.222 0.000 1.094 208 M CB 0.129 32.680 32.600 -0.082 0.000 1.843 208 M HN 0.599 nan 8.290 nan 0.000 0.460 209 I N 1.840 122.388 120.570 -0.037 0.000 3.562 209 I HA 0.312 4.486 4.170 0.007 0.000 0.285 209 I C 0.827 177.120 176.117 0.294 0.000 1.211 209 I CA -0.830 60.551 61.300 0.136 0.000 0.887 209 I CB 0.300 38.332 38.000 0.055 0.000 1.581 209 I HN 0.690 nan 8.210 nan 0.000 0.735 210 D N -0.087 120.448 120.400 0.225 0.000 2.182 210 D HA -0.234 4.410 4.640 0.007 0.000 0.201 210 D C 1.803 178.143 176.300 0.066 0.000 0.986 210 D CA 2.084 56.149 54.000 0.108 0.000 0.847 210 D CB -1.214 39.595 40.800 0.016 0.000 0.942 210 D HN 0.839 nan 8.370 nan 0.000 0.467 211 T N -4.544 110.041 114.554 0.052 0.000 3.118 211 T HA 0.333 4.688 4.350 0.007 0.000 0.260 211 T C 1.830 176.543 174.700 0.021 0.000 1.139 211 T CA 0.788 62.902 62.100 0.023 0.000 1.085 211 T CB -0.108 68.765 68.868 0.009 0.000 0.934 211 T HN 0.471 nan 8.240 nan 0.000 0.518 212 G N 1.124 109.950 108.800 0.044 0.000 2.217 212 G HA2 -0.074 3.890 3.960 0.007 0.000 0.246 212 G HA3 -0.074 3.890 3.960 0.007 0.000 0.246 212 G C 0.411 175.289 174.900 -0.036 0.000 0.990 212 G CA -0.093 45.018 45.100 0.018 0.000 0.627 212 G HN 1.198 nan 8.290 nan 0.000 0.522 213 A N -0.001 122.792 122.820 -0.044 0.000 2.466 213 A HA 0.625 4.949 4.320 0.007 0.000 0.238 213 A C 0.469 177.949 177.584 -0.173 0.000 1.074 213 A CA 0.368 52.352 52.037 -0.088 0.000 0.774 213 A CB 0.205 19.167 19.000 -0.064 0.000 1.015 213 A HN 0.851 nan 8.150 nan 0.000 0.498 214 I N 1.257 121.673 120.570 -0.256 0.000 2.301 214 I HA 0.438 4.612 4.170 0.007 0.000 0.292 214 I C 0.593 176.328 176.117 -0.636 0.000 1.046 214 I CA 0.588 61.576 61.300 -0.521 0.000 1.282 214 I CB 1.286 38.955 38.000 -0.551 0.000 1.409 214 I HN 0.645 nan 8.210 nan 0.000 0.484 215 A N 7.597 130.027 122.820 -0.651 0.000 3.277 215 A HA 0.255 4.580 4.320 0.007 0.000 0.281 215 A C -0.730 176.760 177.584 -0.156 0.000 1.179 215 A CA -0.617 51.244 52.037 -0.294 0.000 0.879 215 A CB 0.157 19.103 19.000 -0.089 0.000 1.374 215 A HN 0.634 nan 8.150 nan 0.000 0.590 216 W N 1.495 122.803 121.300 0.014 0.000 2.551 216 W HA -0.052 4.613 4.660 0.007 0.000 0.336 216 W C 0.487 177.031 176.519 0.042 0.000 1.158 216 W CA 0.275 57.588 57.345 -0.054 0.000 1.258 216 W CB 0.184 29.605 29.460 -0.064 0.000 1.157 216 W HN 0.633 nan 8.180 nan 0.000 0.562 217 Q N 1.735 121.645 119.800 0.184 0.000 2.373 217 Q HA -0.083 4.261 4.340 0.007 0.000 0.210 217 Q C 1.031 177.159 176.000 0.213 0.000 0.913 217 Q CA 0.571 56.494 55.803 0.200 0.000 0.911 217 Q CB 0.009 28.839 28.738 0.155 0.000 1.040 217 Q HN 0.564 nan 8.270 nan 0.000 0.521 218 N N 0.007 118.755 118.700 0.081 0.000 2.936 218 N HA -0.187 4.557 4.740 0.007 0.000 0.236 218 N C -0.567 174.676 175.510 -0.445 0.000 0.930 218 N CA 1.320 54.313 53.050 -0.096 0.000 0.966 218 N CB -1.118 37.373 38.487 0.007 0.000 1.090 218 N HN 0.457 nan 8.380 nan 0.000 0.592 219 H N -1.392 117.707 119.070 0.048 0.000 2.981 219 H HA 0.508 5.068 4.556 0.007 0.000 0.327 219 H C -0.831 174.501 175.328 0.007 0.000 1.342 219 H CA -0.825 55.215 56.048 -0.012 0.000 1.123 219 H CB 0.857 30.622 29.762 0.006 0.000 1.851 219 H HN -0.007 nan 8.280 nan 0.000 0.531 220 L N 2.404 123.703 121.223 0.125 0.000 2.369 220 L HA 0.400 4.744 4.340 0.007 0.000 0.279 220 L C 0.029 176.950 176.870 0.084 0.000 1.108 220 L CA 0.423 55.319 54.840 0.094 0.000 0.852 220 L CB -0.245 41.844 42.059 0.051 0.000 1.169 220 L HN 0.859 nan 8.230 nan 0.000 0.452 221 T N -0.437 114.171 114.554 0.090 0.000 2.773 221 T HA 0.389 4.744 4.350 0.007 0.000 0.278 221 T C 0.575 175.306 174.700 0.051 0.000 1.011 221 T CA -0.635 61.502 62.100 0.062 0.000 1.014 221 T CB 0.901 69.814 68.868 0.076 0.000 1.293 221 T HN 0.429 nan 8.240 nan 0.000 0.554 222 D N -0.189 120.231 120.400 0.033 0.000 2.263 222 D HA -0.017 4.628 4.640 0.007 0.000 0.208 222 D C 1.939 178.261 176.300 0.037 0.000 0.971 222 D CA 0.595 54.609 54.000 0.023 0.000 0.867 222 D CB 0.028 40.834 40.800 0.011 0.000 0.929 222 D HN 0.295 nan 8.370 nan 0.000 0.492 223 R N 0.674 121.210 120.500 0.060 0.000 2.193 223 R HA 0.005 4.350 4.340 0.007 0.000 0.213 223 R C 1.090 177.472 176.300 0.137 0.000 1.055 223 R CA 0.672 56.819 56.100 0.078 0.000 0.995 223 R CB -0.244 30.100 30.300 0.074 0.000 0.893 223 R HN 0.370 nan 8.270 nan 0.000 0.459 224 N N -0.675 118.119 118.700 0.157 0.000 2.113 224 N HA -0.060 4.684 4.740 0.007 0.000 0.223 224 N C 1.006 176.659 175.510 0.238 0.000 1.310 224 N CA 0.021 53.241 53.050 0.284 0.000 0.896 224 N CB -0.115 38.522 38.487 0.249 0.000 1.097 224 N HN 0.112 nan 8.380 nan 0.000 0.507 225 K N 1.038 121.502 120.400 0.107 0.000 2.280 225 K HA -0.065 4.259 4.320 0.007 0.000 0.202 225 K C 1.593 178.179 176.600 -0.022 0.000 1.047 225 K CA 1.272 57.591 56.287 0.054 0.000 0.942 225 K CB -0.362 32.152 32.500 0.024 0.000 0.739 225 K HN 0.211 nan 8.250 nan 0.000 0.457 226 M N -0.451 119.081 119.600 -0.113 0.000 2.632 226 M HA -0.038 4.446 4.480 0.007 0.000 0.256 226 M C 0.365 176.402 176.300 -0.440 0.000 1.080 226 M CA 1.340 56.474 55.300 -0.277 0.000 1.084 226 M CB -1.005 31.383 32.600 -0.353 0.000 1.439 226 M HN 0.079 nan 8.290 nan 0.000 0.509 227 Y N 0.084 120.240 120.300 -0.240 0.000 2.482 227 Y HA 0.176 4.730 4.550 0.008 0.000 0.270 227 Y C 2.031 177.749 175.900 -0.304 0.000 1.152 227 Y CA 0.314 58.122 58.100 -0.485 0.000 1.292 227 Y CB 0.026 37.914 38.460 -0.953 0.000 1.070 227 Y HN 0.290 nan 8.280 nan 0.000 0.528 228 L N -0.703 120.515 121.223 -0.009 0.000 2.435 228 L HA 0.270 4.615 4.340 0.007 0.000 0.195 228 L C -0.063 176.809 176.870 0.003 0.000 1.072 228 L CA 0.953 55.820 54.840 0.044 0.000 0.833 228 L CB 0.391 42.508 42.059 0.097 0.000 1.081 228 L HN 0.059 nan 8.230 nan 0.000 0.485 229 Q N -0.148 119.639 119.800 -0.022 0.000 2.320 229 Q HA 0.379 4.724 4.340 0.007 0.000 0.272 229 Q C -1.716 174.252 176.000 -0.052 0.000 1.023 229 Q CA -0.330 55.456 55.803 -0.028 0.000 0.855 229 Q CB 1.253 29.989 28.738 -0.004 0.000 1.367 229 Q HN 0.143 nan 8.270 nan 0.000 0.406 230 N N 2.517 121.183 118.700 -0.057 0.000 2.573 230 N HA 0.504 5.249 4.740 0.007 0.000 0.262 230 N C 0.270 175.755 175.510 -0.042 0.000 1.029 230 N CA 1.076 54.088 53.050 -0.064 0.000 0.882 230 N CB 1.172 39.604 38.487 -0.092 0.000 1.204 230 N HN 0.895 nan 8.380 nan 0.000 0.519 231 G N 2.803 111.583 108.800 -0.033 0.000 2.634 231 G HA2 -0.380 3.585 3.960 0.007 0.000 0.318 231 G HA3 -0.380 3.585 3.960 0.007 0.000 0.318 231 G C 0.832 175.722 174.900 -0.016 0.000 1.207 231 G CA 1.099 46.186 45.100 -0.022 0.000 0.987 231 G HN 1.046 nan 8.290 nan 0.000 0.547 232 S N -0.731 114.960 115.700 -0.014 0.000 2.556 232 S HA 0.430 4.905 4.470 0.007 0.000 0.216 232 S C 0.835 175.430 174.600 -0.009 0.000 0.970 232 S CA 1.246 59.442 58.200 -0.008 0.000 0.912 232 S CB 0.330 63.527 63.200 -0.005 0.000 0.790 232 S HN 0.859 nan 8.310 nan 0.000 0.504 233 T N 3.180 117.724 114.554 -0.016 0.000 2.817 233 T HA 0.330 4.685 4.350 0.007 0.000 0.293 233 T C -0.235 174.452 174.700 -0.021 0.000 0.964 233 T CA -0.480 61.609 62.100 -0.018 0.000 1.085 233 T CB 0.927 69.781 68.868 -0.024 0.000 0.921 233 T HN 0.365 nan 8.240 nan 0.000 0.502 234 R N 3.248 123.740 120.500 -0.014 0.000 2.254 234 R HA 0.412 4.757 4.340 0.007 0.000 0.318 234 R C 0.211 176.498 176.300 -0.021 0.000 1.031 234 R CA -0.324 55.770 56.100 -0.011 0.000 0.905 234 R CB 0.470 30.770 30.300 -0.001 0.000 1.050 234 R HN 0.481 nan 8.270 nan 0.000 0.456 235 V N 3.098 122.995 119.914 -0.028 0.000 2.788 235 V HA 0.325 4.450 4.120 0.007 0.000 0.241 235 V C 0.462 176.550 176.094 -0.010 0.000 1.083 235 V CA 1.073 63.345 62.300 -0.046 0.000 1.103 235 V CB 0.381 32.141 31.823 -0.104 0.000 0.800 235 V HN 0.859 nan 8.190 nan 0.000 0.476 236 A N -0.793 122.039 122.820 0.020 0.000 2.594 236 A HA 0.523 4.847 4.320 0.007 0.000 0.291 236 A C -0.127 177.484 177.584 0.045 0.000 1.105 236 A CA -0.274 51.802 52.037 0.065 0.000 0.694 236 A CB 1.071 20.163 19.000 0.152 0.000 1.291 236 A HN 0.097 nan 8.150 nan 0.000 0.410 237 D N 0.268 120.653 120.400 -0.024 0.000 2.289 237 D HA 0.087 4.732 4.640 0.007 0.000 0.207 237 D C 0.604 176.932 176.300 0.047 0.000 0.966 237 D CA 1.906 55.818 54.000 -0.147 0.000 0.868 237 D CB 0.277 40.697 40.800 -0.633 0.000 0.943 237 D HN 0.716 nan 8.370 nan 0.000 0.514 238 S N -0.949 114.882 115.700 0.218 0.000 2.615 238 S HA 0.515 4.989 4.470 0.007 0.000 0.268 238 S C -1.026 173.849 174.600 0.459 0.000 1.146 238 S CA -1.045 57.423 58.200 0.446 0.000 0.818 238 S CB 2.511 66.167 63.200 0.759 0.000 1.111 238 S HN 0.015 nan 8.310 nan 0.000 0.465 239 M N 1.875 121.773 119.600 0.496 0.000 2.393 239 M HA 0.626 5.110 4.480 0.007 0.000 0.299 239 M C -2.157 174.462 176.300 0.532 0.000 1.103 239 M CA -0.796 54.794 55.300 0.484 0.000 0.910 239 M CB 1.708 34.543 32.600 0.391 0.000 1.659 239 M HN 0.817 nan 8.290 nan 0.000 0.445 240 F N 5.979 126.164 119.950 0.391 0.000 2.350 240 F HA 0.404 4.935 4.527 0.007 0.000 0.365 240 F C -1.132 174.840 175.800 0.287 0.000 1.122 240 F CA -0.762 57.480 58.000 0.404 0.000 1.139 240 F CB 0.520 39.840 39.000 0.534 0.000 1.220 240 F HN 0.402 nan 8.300 nan 0.000 0.499 241 L N 5.332 126.520 121.223 -0.058 0.000 2.416 241 L HA 0.102 4.446 4.340 0.007 0.000 0.272 241 L C 0.441 177.206 176.870 -0.175 0.000 1.161 241 L CA 0.028 54.810 54.840 -0.097 0.000 0.845 241 L CB -0.103 41.828 42.059 -0.213 0.000 1.119 241 L HN 0.635 nan 8.230 nan 0.000 0.464 242 N N 1.299 119.912 118.700 -0.145 0.000 2.326 242 N HA 0.034 4.779 4.740 0.007 0.000 0.239 242 N C 0.779 175.986 175.510 -0.505 0.000 1.301 242 N CA 0.299 53.063 53.050 -0.477 0.000 0.909 242 N CB 0.353 38.571 38.487 -0.448 0.000 1.156 242 N HN 0.373 nan 8.380 nan 0.000 0.462 243 F N -0.881 118.743 119.950 -0.544 0.000 2.456 243 F HA 0.133 4.665 4.527 0.008 0.000 0.298 243 F C 0.570 176.039 175.800 -0.553 0.000 1.104 243 F CA -0.110 57.578 58.000 -0.521 0.000 1.435 243 F CB 0.074 38.721 39.000 -0.587 0.000 1.078 243 F HN 0.337 nan 8.300 nan 0.000 0.546 244 W N 2.878 124.187 121.300 0.015 0.000 1.496 244 W HA 0.153 4.818 4.660 0.008 0.000 0.422 244 W C -0.276 176.230 176.519 -0.021 0.000 0.638 244 W CA -1.385 55.919 57.345 -0.067 0.000 2.105 244 W CB -1.354 28.103 29.460 -0.004 0.000 1.639 244 W HN 0.154 nan 8.180 nan 0.000 0.304 245 W N 1.012 122.329 121.300 0.029 0.000 2.781 245 W HA 0.524 5.190 4.660 0.009 0.000 0.345 245 W C 0.186 176.722 176.519 0.029 0.000 1.085 245 W CA -1.120 56.201 57.345 -0.041 0.000 1.198 245 W CB 0.701 29.962 29.460 -0.333 0.000 1.423 245 W HN -0.155 nan 8.180 nan 0.000 0.532 246 R N 0.477 121.236 120.500 0.432 0.000 2.394 246 R HA 0.192 4.536 4.340 0.007 0.000 0.220 246 R C -0.895 175.681 176.300 0.460 0.000 0.887 246 R CA 0.165 56.434 56.100 0.281 0.000 1.034 246 R CB 0.372 30.757 30.300 0.142 0.000 1.179 246 R HN 0.692 nan 8.270 nan 0.000 0.561 247 D N -1.087 119.624 120.400 0.519 0.000 2.654 247 D HA 0.209 4.853 4.640 0.007 0.000 0.231 247 D C -0.201 176.185 176.300 0.144 0.000 1.239 247 D CA -0.245 53.923 54.000 0.279 0.000 0.790 247 D CB 1.346 42.225 40.800 0.132 0.000 1.480 247 D HN -0.350 nan 8.370 nan 0.000 0.442 248 Q N 1.182 120.925 119.800 -0.095 0.000 2.140 248 Q HA 0.144 4.489 4.340 0.007 0.000 0.227 248 Q C 1.377 177.168 176.000 -0.348 0.000 0.798 248 Q CA -0.071 55.612 55.803 -0.201 0.000 0.987 248 Q CB 0.627 29.136 28.738 -0.383 0.000 1.161 248 Q HN 0.544 nan 8.270 nan 0.000 0.480 249 R N 1.713 121.807 120.500 -0.675 0.000 2.119 249 R HA -0.251 4.094 4.340 0.007 0.000 0.246 249 R C 2.024 178.131 176.300 -0.322 0.000 1.146 249 R CA 2.477 58.143 56.100 -0.723 0.000 0.962 249 R CB 0.147 30.073 30.300 -0.624 0.000 0.863 249 R HN 0.324 nan 8.270 nan 0.000 0.442 250 Q N -0.727 118.926 119.800 -0.245 0.000 2.124 250 Q HA -0.082 4.262 4.340 0.007 0.000 0.202 250 Q C 1.837 177.756 176.000 -0.136 0.000 0.977 250 Q CA 1.989 57.685 55.803 -0.179 0.000 0.850 250 Q CB -0.102 28.511 28.738 -0.208 0.000 0.901 250 Q HN 0.174 nan 8.270 nan 0.000 0.429 251 S N 1.280 116.910 115.700 -0.118 0.000 2.387 251 S HA -0.128 4.346 4.470 0.007 0.000 0.226 251 S C 1.703 176.238 174.600 -0.109 0.000 1.026 251 S CA 0.849 59.003 58.200 -0.075 0.000 0.972 251 S CB -0.422 62.749 63.200 -0.049 0.000 0.814 251 S HN 0.507 nan 8.310 nan 0.000 0.477 252 N N 1.748 120.358 118.700 -0.149 0.000 2.043 252 N HA -0.199 4.546 4.740 0.007 0.000 0.193 252 N C 1.503 176.942 175.510 -0.119 0.000 1.037 252 N CA 1.678 54.633 53.050 -0.158 0.000 0.851 252 N CB -0.241 38.162 38.487 -0.139 0.000 1.027 252 N HN 0.490 nan 8.380 nan 0.000 0.422 253 E N 0.058 120.193 120.200 -0.107 0.000 2.058 253 E HA -0.189 4.166 4.350 0.007 0.000 0.194 253 E C 1.966 178.529 176.600 -0.062 0.000 0.997 253 E CA 1.007 57.360 56.400 -0.078 0.000 0.801 253 E CB -0.198 29.455 29.700 -0.079 0.000 0.746 253 E HN 0.219 nan 8.360 nan 0.000 0.450 254 L N 0.860 122.046 121.223 -0.062 0.000 2.083 254 L HA -0.120 4.224 4.340 0.007 0.000 0.209 254 L C 2.117 178.966 176.870 -0.036 0.000 1.083 254 L CA 2.009 56.824 54.840 -0.042 0.000 0.752 254 L CB -0.778 41.261 42.059 -0.033 0.000 0.899 254 L HN 0.062 nan 8.230 nan 0.000 0.433 255 A N -1.126 121.664 122.820 -0.049 0.000 1.902 255 A HA -0.240 4.085 4.320 0.007 0.000 0.217 255 A C 2.136 179.697 177.584 -0.038 0.000 1.181 255 A CA 1.682 53.693 52.037 -0.043 0.000 0.623 255 A CB -0.513 18.443 19.000 -0.073 0.000 0.818 255 A HN 0.657 nan 8.150 nan 0.000 0.443 256 Q N -0.587 119.184 119.800 -0.049 0.000 2.096 256 Q HA -0.150 4.194 4.340 0.007 0.000 0.204 256 Q C 2.376 178.364 176.000 -0.020 0.000 0.982 256 Q CA 1.452 57.235 55.803 -0.033 0.000 0.850 256 Q CB -0.429 28.287 28.738 -0.036 0.000 0.901 256 Q HN 0.677 nan 8.270 nan 0.000 0.422 257 A N 0.738 123.544 122.820 -0.023 0.000 2.019 257 A HA -0.108 4.217 4.320 0.007 0.000 0.219 257 A C 1.930 179.507 177.584 -0.012 0.000 1.164 257 A CA 0.935 52.962 52.037 -0.017 0.000 0.644 257 A CB -0.386 18.602 19.000 -0.020 0.000 0.805 257 A HN 0.288 nan 8.150 nan 0.000 0.449 258 L N -1.382 119.834 121.223 -0.012 0.000 2.558 258 L HA 0.177 4.521 4.340 0.007 0.000 0.225 258 L C 1.565 178.434 176.870 -0.001 0.000 1.128 258 L CA 0.583 55.418 54.840 -0.007 0.000 0.868 258 L CB 0.004 42.060 42.059 -0.004 0.000 1.006 258 L HN 0.567 nan 8.230 nan 0.000 0.454 259 G N 0.576 109.375 108.800 -0.001 0.000 2.176 259 G HA2 -0.234 3.731 3.960 0.007 0.000 0.252 259 G HA3 -0.234 3.731 3.960 0.007 0.000 0.252 259 G C 0.038 174.947 174.900 0.016 0.000 1.024 259 G CA -0.141 44.963 45.100 0.007 0.000 0.755 259 G HN 0.180 nan 8.290 nan 0.000 0.507 260 R N -0.155 120.353 120.500 0.012 0.000 2.803 260 R HA 0.646 4.990 4.340 0.007 0.000 0.276 260 R C 0.278 176.586 176.300 0.013 0.000 0.978 260 R CA -0.379 55.737 56.100 0.026 0.000 0.939 260 R CB 1.418 31.736 30.300 0.031 0.000 1.179 260 R HN 0.365 nan 8.270 nan 0.000 0.472 261 S N 1.990 117.716 115.700 0.043 0.000 2.537 261 S HA 0.092 4.566 4.470 0.007 0.000 0.286 261 S C -1.475 173.075 174.600 -0.083 0.000 1.299 261 S CA -0.976 57.240 58.200 0.026 0.000 1.067 261 S CB 0.511 63.804 63.200 0.156 0.000 0.864 261 S HN 0.263 nan 8.310 nan 0.000 0.494 262 P HA -0.058 nan 4.420 nan 0.000 0.223 262 P C -0.104 176.911 177.300 -0.475 0.000 1.144 262 P CA 1.227 64.065 63.100 -0.436 0.000 0.783 262 P CB -0.108 31.188 31.700 -0.673 0.000 0.771 263 Y N -1.322 118.966 120.300 -0.020 0.000 2.470 263 Y HA 0.090 4.644 4.550 0.006 0.000 0.284 263 Y C 1.247 177.119 175.900 -0.046 0.000 1.188 263 Y CA -0.147 57.921 58.100 -0.054 0.000 1.269 263 Y CB -0.423 38.048 38.460 0.018 0.000 1.094 263 Y HN -0.083 nan 8.280 nan 0.000 0.518 264 D N 0.147 120.598 120.400 0.084 0.000 2.349 264 D HA 0.160 4.804 4.640 0.007 0.000 0.214 264 D C -0.030 176.364 176.300 0.156 0.000 1.063 264 D CA 0.433 54.551 54.000 0.196 0.000 0.847 264 D CB 0.392 41.330 40.800 0.229 0.000 0.933 264 D HN 0.271 nan 8.370 nan 0.000 0.513 265 L N 0.662 121.846 121.223 -0.066 0.000 2.295 265 L HA 0.351 4.695 4.340 0.007 0.000 0.285 265 L C -0.766 175.982 176.870 -0.204 0.000 1.035 265 L CA -0.840 53.990 54.840 -0.017 0.000 0.806 265 L CB 1.044 43.057 42.059 -0.076 0.000 1.214 265 L HN -0.135 nan 8.230 nan 0.000 0.426 266 Y N 1.817 122.141 120.300 0.039 0.000 2.478 266 Y HA 0.452 5.006 4.550 0.007 0.000 0.329 266 Y C 0.624 176.338 175.900 -0.309 0.000 0.967 266 Y CA -0.767 57.308 58.100 -0.041 0.000 1.255 266 Y CB 1.537 40.052 38.460 0.091 0.000 1.103 266 Y HN 0.657 nan 8.280 nan 0.000 0.497 267 A N 2.850 125.516 122.820 -0.256 0.000 2.515 267 A HA 0.410 4.734 4.320 0.007 0.000 0.263 267 A C 0.907 178.371 177.584 -0.199 0.000 1.096 267 A CA 0.269 52.043 52.037 -0.438 0.000 0.769 267 A CB -0.344 18.142 19.000 -0.856 0.000 1.040 267 A HN 0.875 nan 8.150 nan 0.000 0.505 268 G N 1.214 109.872 108.800 -0.237 0.000 2.403 268 G HA2 0.485 4.450 3.960 0.007 0.000 0.259 268 G HA3 0.485 4.450 3.960 0.007 0.000 0.259 268 G C -0.488 174.735 174.900 0.538 0.000 1.244 268 G CA -0.197 44.814 45.100 -0.149 0.000 0.849 268 G HN 0.838 nan 8.290 nan 0.000 0.532 269 V N 2.759 122.982 119.914 0.515 0.000 2.487 269 V HA 0.231 4.355 4.120 0.007 0.000 0.298 269 V C -0.776 175.359 176.094 0.067 0.000 1.028 269 V CA -0.927 61.534 62.300 0.269 0.000 0.860 269 V CB 1.890 33.798 31.823 0.142 0.000 0.991 269 V HN 0.764 nan 8.190 nan 0.000 0.427 270 D N 3.699 123.769 120.400 -0.550 0.000 2.380 270 D HA 0.271 4.915 4.640 0.007 0.000 0.230 270 D C 0.591 176.707 176.300 -0.308 0.000 1.154 270 D CA -0.116 53.438 54.000 -0.744 0.000 0.859 270 D CB 1.706 41.676 40.800 -1.383 0.000 1.045 270 D HN 0.441 nan 8.370 nan 0.000 0.495 271 V N 1.199 121.013 119.914 -0.165 0.000 3.319 271 V HA 0.232 4.356 4.120 0.007 0.000 0.317 271 V C 1.560 177.497 176.094 -0.262 0.000 1.411 271 V CA -0.099 62.086 62.300 -0.191 0.000 1.112 271 V CB 0.058 31.881 31.823 -0.000 0.000 1.031 271 V HN 0.460 nan 8.190 nan 0.000 0.448 272 E N 1.836 121.911 120.200 -0.208 0.000 2.058 272 E HA -0.216 4.139 4.350 0.007 0.000 0.194 272 E C 2.079 178.647 176.600 -0.054 0.000 0.997 272 E CA 2.171 58.480 56.400 -0.152 0.000 0.801 272 E CB -0.108 29.506 29.700 -0.143 0.000 0.746 272 E HN 0.733 nan 8.360 nan 0.000 0.450 273 A N 0.194 122.952 122.820 -0.103 0.000 1.975 273 A HA 0.040 4.365 4.320 0.007 0.000 0.215 273 A C 1.963 179.495 177.584 -0.087 0.000 1.170 273 A CA 0.867 52.882 52.037 -0.037 0.000 0.656 273 A CB 0.063 19.035 19.000 -0.047 0.000 0.821 273 A HN 0.116 nan 8.150 nan 0.000 0.449 274 R N -1.980 118.307 120.500 -0.354 0.000 2.487 274 R HA 0.280 4.625 4.340 0.007 0.000 0.272 274 R C 1.463 177.102 176.300 -1.103 0.000 0.928 274 R CA 0.430 56.251 56.100 -0.466 0.000 1.077 274 R CB 0.386 30.507 30.300 -0.299 0.000 1.265 274 R HN 0.529 nan 8.270 nan 0.000 0.537 275 G N 1.441 109.227 108.800 -1.690 0.000 2.690 275 G HA2 -0.504 3.461 3.960 0.007 0.000 0.334 275 G HA3 -0.504 3.461 3.960 0.007 0.000 0.334 275 G C 1.098 175.076 174.900 -1.537 0.000 1.250 275 G CA 1.659 45.471 45.100 -2.147 0.000 0.994 275 G HN 0.389 nan 8.290 nan 0.000 0.549 276 T N -2.342 111.275 114.554 -1.563 0.000 3.098 276 T HA 0.248 4.602 4.350 0.007 0.000 0.266 276 T C 1.989 176.214 174.700 -0.791 0.000 1.145 276 T CA 1.926 63.090 62.100 -1.559 0.000 1.092 276 T CB 0.027 68.347 68.868 -0.914 0.000 0.908 276 T HN 0.506 nan 8.240 nan 0.000 0.526 277 S N 1.081 116.436 115.700 -0.575 0.000 2.597 277 S HA 0.171 4.645 4.470 0.007 0.000 0.224 277 S C 0.476 174.952 174.600 -0.206 0.000 0.955 277 S CA -0.334 57.711 58.200 -0.258 0.000 0.933 277 S CB -0.052 63.043 63.200 -0.175 0.000 0.788 277 S HN 0.542 nan 8.310 nan 0.000 0.488 278 T N 5.243 119.626 114.554 -0.285 0.000 2.779 278 T HA 0.242 4.597 4.350 0.007 0.000 0.296 278 T C -2.563 172.152 174.700 0.025 0.000 0.938 278 T CA -0.972 61.040 62.100 -0.146 0.000 1.119 278 T CB 0.723 69.497 68.868 -0.157 0.000 0.891 278 T HN 0.071 nan 8.240 nan 0.000 0.526 279 P HA 0.396 nan 4.420 nan 0.000 0.276 279 P C -1.125 176.064 177.300 -0.186 0.000 1.235 279 P CA -0.371 62.697 63.100 -0.054 0.000 0.772 279 P CB 0.654 32.307 31.700 -0.077 0.000 0.871 280 V N 3.835 123.573 119.914 -0.294 0.000 2.760 280 V HA 0.191 4.316 4.120 0.007 0.000 0.309 280 V C 0.033 175.742 176.094 -0.641 0.000 1.077 280 V CA -0.685 61.188 62.300 -0.712 0.000 0.910 280 V CB 2.282 33.230 31.823 -1.458 0.000 1.008 280 V HN 0.327 nan 8.190 nan 0.000 0.424 281 Q N 2.828 122.296 119.800 -0.553 0.000 3.026 281 Q HA 0.104 4.448 4.340 0.007 0.000 0.258 281 Q C 0.652 176.615 176.000 -0.062 0.000 1.388 281 Q CA 0.145 55.809 55.803 -0.230 0.000 1.000 281 Q CB 0.069 28.718 28.738 -0.148 0.000 1.634 281 Q HN 0.869 nan 8.270 nan 0.000 0.571 282 W N 0.899 122.242 121.300 0.072 0.000 2.338 282 W HA -0.242 4.422 4.660 0.007 0.000 0.304 282 W C 1.672 178.250 176.519 0.099 0.000 1.212 282 W CA 0.949 58.329 57.345 0.059 0.000 1.264 282 W CB 0.122 29.633 29.460 0.085 0.000 1.142 282 W HN 0.477 nan 8.180 nan 0.000 0.512 283 E N -0.306 120.101 120.200 0.344 0.000 2.171 283 E HA -0.168 4.186 4.350 0.007 0.000 0.197 283 E C 2.347 179.071 176.600 0.206 0.000 0.997 283 E CA 1.514 58.064 56.400 0.250 0.000 0.810 283 E CB -1.179 28.642 29.700 0.203 0.000 0.738 283 E HN 0.326 nan 8.360 nan 0.000 0.467 284 G N -0.048 108.899 108.800 0.245 0.000 2.509 284 G HA2 -0.123 3.841 3.960 0.007 0.000 0.218 284 G HA3 -0.123 3.841 3.960 0.007 0.000 0.218 284 G C 1.320 176.326 174.900 0.176 0.000 1.124 284 G CA 0.603 45.878 45.100 0.292 0.000 0.776 284 G HN 0.217 nan 8.290 nan 0.000 0.547 285 L N -1.893 119.318 121.223 -0.019 0.000 2.624 285 L HA 0.558 4.903 4.340 0.007 0.000 0.222 285 L C -0.132 176.313 176.870 -0.709 0.000 1.046 285 L CA 0.186 54.752 54.840 -0.457 0.000 0.872 285 L CB 0.374 42.039 42.059 -0.657 0.000 1.190 285 L HN 0.052 nan 8.230 nan 0.000 0.487 286 F N 3.048 122.891 119.950 -0.179 0.000 2.449 286 F HA 0.443 4.974 4.527 0.007 0.000 0.344 286 F C -2.130 173.624 175.800 -0.078 0.000 1.180 286 F CA -2.090 55.777 58.000 -0.223 0.000 1.209 286 F CB 0.356 39.130 39.000 -0.377 0.000 1.440 286 F HN -0.030 nan 8.300 nan 0.000 0.526 287 P HA 0.078 nan 4.420 nan 0.000 0.271 287 P C 0.280 177.630 177.300 0.084 0.000 1.216 287 P CA 0.105 63.236 63.100 0.051 0.000 0.776 287 P CB 1.327 33.019 31.700 -0.013 0.000 0.881 288 E N 1.635 121.900 120.200 0.108 0.000 2.150 288 E HA -0.107 4.247 4.350 0.007 0.000 0.193 288 E C 1.977 178.612 176.600 0.059 0.000 0.985 288 E CA 1.431 57.888 56.400 0.096 0.000 0.814 288 E CB -0.363 29.393 29.700 0.094 0.000 0.752 288 E HN 0.664 nan 8.360 nan 0.000 0.466 289 G N 1.365 110.197 108.800 0.053 0.000 2.752 289 G HA2 -0.129 3.836 3.960 0.007 0.000 0.209 289 G HA3 -0.129 3.836 3.960 0.007 0.000 0.209 289 G C 0.795 175.714 174.900 0.030 0.000 1.392 289 G CA 0.027 45.151 45.100 0.040 0.000 0.873 289 G HN 0.036 nan 8.290 nan 0.000 0.586 290 E N 0.708 120.925 120.200 0.028 0.000 3.196 290 E HA 0.220 4.574 4.350 0.007 0.000 0.268 290 E C 0.482 177.082 176.600 -0.000 0.000 1.430 290 E CA -0.329 56.083 56.400 0.020 0.000 1.176 290 E CB 0.265 29.987 29.700 0.036 0.000 1.228 290 E HN 0.517 nan 8.360 nan 0.000 0.730 291 K N -0.465 119.938 120.400 0.005 0.000 2.440 291 K HA 0.526 4.851 4.320 0.007 0.000 0.252 291 K C -0.088 176.487 176.600 -0.040 0.000 1.044 291 K CA -0.665 55.629 56.287 0.012 0.000 0.962 291 K CB 0.218 32.748 32.500 0.050 0.000 1.269 291 K HN 0.355 nan 8.250 nan 0.000 0.505 292 A N 0.944 123.783 122.820 0.031 0.000 2.477 292 A HA 0.069 4.393 4.320 0.007 0.000 0.246 292 A C 0.577 178.136 177.584 -0.042 0.000 1.078 292 A CA -0.451 51.552 52.037 -0.057 0.000 0.770 292 A CB -0.218 18.817 19.000 0.059 0.000 1.011 292 A HN 0.804 nan 8.150 nan 0.000 0.494 293 H N 1.253 120.252 119.070 -0.118 0.000 2.389 293 H HA -0.012 4.549 4.556 0.007 0.000 0.299 293 H C 1.307 176.457 175.328 -0.296 0.000 1.081 293 H CA 1.929 57.864 56.048 -0.188 0.000 1.345 293 H CB -0.090 29.539 29.762 -0.222 0.000 1.393 293 H HN 0.870 nan 8.280 nan 0.000 0.520 294 T N -3.188 111.273 114.554 -0.154 0.000 2.618 294 T HA 0.493 4.847 4.350 0.007 0.000 0.293 294 T C 0.206 174.920 174.700 0.023 0.000 1.093 294 T CA -0.888 61.094 62.100 -0.196 0.000 1.061 294 T CB 2.111 70.814 68.868 -0.275 0.000 1.498 294 T HN 0.017 nan 8.240 nan 0.000 0.494 295 S N -0.251 115.414 115.700 -0.058 0.000 2.671 295 S HA 0.720 5.195 4.470 0.007 0.000 0.272 295 S C -0.787 173.826 174.600 0.021 0.000 1.174 295 S CA -0.673 57.514 58.200 -0.023 0.000 1.004 295 S CB 0.614 63.561 63.200 -0.422 0.000 1.077 295 S HN 0.741 nan 8.310 nan 0.000 0.553 296 L N 0.926 122.349 121.223 0.333 0.000 2.329 296 L HA 0.763 5.108 4.340 0.007 0.000 0.279 296 L C -0.097 177.043 176.870 0.450 0.000 1.014 296 L CA -0.074 54.986 54.840 0.366 0.000 0.814 296 L CB 0.997 43.395 42.059 0.565 0.000 1.257 296 L HN 0.646 nan 8.230 nan 0.000 0.424 297 G N 5.725 114.685 108.800 0.267 0.000 2.574 297 G HA2 0.546 4.510 3.960 0.007 0.000 0.306 297 G HA3 0.546 4.510 3.960 0.007 0.000 0.306 297 G C -1.342 173.801 174.900 0.404 0.000 1.334 297 G CA -0.484 44.781 45.100 0.275 0.000 0.954 297 G HN 0.568 nan 8.290 nan 0.000 0.500 298 L N 2.893 124.386 121.223 0.450 0.000 2.255 298 L HA 0.278 4.623 4.340 0.007 0.000 0.289 298 L C -0.538 176.520 176.870 0.313 0.000 1.046 298 L CA -1.083 53.982 54.840 0.375 0.000 0.816 298 L CB 1.086 43.315 42.059 0.284 0.000 1.197 298 L HN 0.569 nan 8.230 nan 0.000 0.427 299 Y N 5.354 125.783 120.300 0.215 0.000 2.393 299 Y HA 0.223 4.778 4.550 0.007 0.000 0.338 299 Y C 0.544 176.331 175.900 -0.189 0.000 1.029 299 Y CA -0.604 57.443 58.100 -0.089 0.000 1.239 299 Y CB 0.227 38.708 38.460 0.035 0.000 1.170 299 Y HN 0.511 nan 8.280 nan 0.000 0.515 300 R N 3.921 123.911 120.500 -0.850 0.000 3.322 300 R HA -0.143 4.202 4.340 0.007 0.000 0.266 300 R C -2.383 173.689 176.300 -0.380 0.000 1.072 300 R CA 0.684 56.329 56.100 -0.758 0.000 0.715 300 R CB -2.070 27.630 30.300 -1.001 0.000 1.199 300 R HN 0.580 nan 8.270 nan 0.000 0.421 301 P HA -0.152 nan 4.420 nan 0.000 0.226 301 P C 0.905 178.088 177.300 -0.195 0.000 1.146 301 P CA 1.422 64.288 63.100 -0.390 0.000 0.773 301 P CB -0.062 31.495 31.700 -0.239 0.000 0.772 302 D N -2.056 118.231 120.400 -0.189 0.000 2.363 302 D HA -0.166 4.479 4.640 0.007 0.000 0.226 302 D C 1.606 177.882 176.300 -0.041 0.000 1.020 302 D CA -0.160 53.772 54.000 -0.113 0.000 0.892 302 D CB -0.835 39.829 40.800 -0.226 0.000 0.900 302 D HN 0.272 nan 8.370 nan 0.000 0.531 303 W N 2.633 123.802 121.300 -0.220 0.000 2.308 303 W HA -0.276 4.389 4.660 0.007 0.000 0.301 303 W C 2.222 178.697 176.519 -0.074 0.000 1.220 303 W CA 2.435 59.679 57.345 -0.168 0.000 1.240 303 W CB -0.241 29.098 29.460 -0.202 0.000 1.142 303 W HN 0.069 nan 8.180 nan 0.000 0.521 304 A N -0.319 122.331 122.820 -0.283 0.000 1.933 304 A HA -0.166 4.159 4.320 0.007 0.000 0.218 304 A C 1.950 179.465 177.584 -0.115 0.000 1.175 304 A CA 1.570 53.327 52.037 -0.467 0.000 0.628 304 A CB -1.306 17.749 19.000 0.092 0.000 0.814 304 A HN 0.567 nan 8.150 nan 0.000 0.444 305 F N 0.116 119.874 119.950 -0.319 0.000 2.219 305 F HA -0.008 4.524 4.527 0.008 0.000 0.294 305 F C 2.318 177.861 175.800 -0.428 0.000 1.086 305 F CA 1.764 59.297 58.000 -0.778 0.000 1.330 305 F CB -0.161 38.146 39.000 -1.155 0.000 1.047 305 F HN 0.248 nan 8.300 nan 0.000 0.495 306 Q N -0.571 119.026 119.800 -0.338 0.000 2.389 306 Q HA -0.037 4.308 4.340 0.007 0.000 0.204 306 Q C 1.884 177.695 176.000 -0.315 0.000 0.944 306 Q CA 1.091 56.703 55.803 -0.320 0.000 0.908 306 Q CB 0.025 28.676 28.738 -0.145 0.000 1.002 306 Q HN 0.455 nan 8.270 nan 0.000 0.493 307 S N -1.278 114.183 115.700 -0.398 0.000 2.556 307 S HA 0.190 4.665 4.470 0.007 0.000 0.216 307 S C 0.594 174.996 174.600 -0.329 0.000 0.970 307 S CA -0.574 57.421 58.200 -0.342 0.000 0.912 307 S CB 0.539 63.486 63.200 -0.421 0.000 0.790 307 S HN -0.072 nan 8.310 nan 0.000 0.504 308 S N 1.224 116.711 115.700 -0.354 0.000 2.621 308 S HA 0.516 4.991 4.470 0.007 0.000 0.302 308 S C 0.248 174.619 174.600 -0.381 0.000 1.093 308 S CA -0.761 57.275 58.200 -0.273 0.000 1.017 308 S CB 1.583 64.703 63.200 -0.134 0.000 1.077 308 S HN 0.188 nan 8.310 nan 0.000 0.517 309 E N 0.913 120.870 120.200 -0.404 0.000 2.413 309 E HA 0.119 4.473 4.350 0.007 0.000 0.203 309 E C 0.391 176.474 176.600 -0.860 0.000 0.957 309 E CA 0.542 56.592 56.400 -0.583 0.000 0.950 309 E CB 0.638 30.134 29.700 -0.341 0.000 0.957 309 E HN 0.791 nan 8.360 nan 0.000 0.497 310 T N -2.084 112.135 114.554 -0.558 0.000 2.900 310 T HA 0.333 4.687 4.350 0.007 0.000 0.295 310 T C 0.881 175.583 174.700 0.003 0.000 1.044 310 T CA -0.687 61.184 62.100 -0.382 0.000 0.995 310 T CB 1.977 70.751 68.868 -0.156 0.000 1.072 310 T HN -0.229 nan 8.240 nan 0.000 0.473 311 M N 1.598 121.210 119.600 0.020 0.000 2.108 311 M HA -0.141 4.343 4.480 0.007 0.000 0.257 311 M C 1.838 178.165 176.300 0.045 0.000 1.071 311 M CA 1.987 57.248 55.300 -0.065 0.000 1.093 311 M CB -0.937 31.083 32.600 -0.967 0.000 1.345 311 M HN 0.833 nan 8.290 nan 0.000 0.403 312 E N -0.641 119.609 120.200 0.084 0.000 2.072 312 E HA -0.119 4.235 4.350 0.007 0.000 0.191 312 E C 2.059 178.828 176.600 0.282 0.000 0.985 312 E CA 1.202 57.765 56.400 0.272 0.000 0.801 312 E CB -0.440 29.421 29.700 0.268 0.000 0.750 312 E HN 0.669 nan 8.360 nan 0.000 0.452 313 A N 1.607 124.544 122.820 0.195 0.000 1.898 313 A HA -0.174 4.151 4.320 0.007 0.000 0.216 313 A C 2.002 179.715 177.584 0.215 0.000 1.181 313 A CA 1.051 53.182 52.037 0.157 0.000 0.620 313 A CB -0.704 18.329 19.000 0.055 0.000 0.819 313 A HN 0.317 nan 8.150 nan 0.000 0.442 314 F N -0.321 119.701 119.950 0.121 0.000 2.095 314 F HA -0.210 4.321 4.527 0.007 0.000 0.298 314 F C 2.028 177.989 175.800 0.268 0.000 1.104 314 F CA 1.558 59.649 58.000 0.151 0.000 1.232 314 F CB -0.950 38.198 39.000 0.247 0.000 0.987 314 F HN 0.298 nan 8.300 nan 0.000 0.475 315 Y N 0.896 121.124 120.300 -0.120 0.000 2.274 315 Y HA -0.151 4.403 4.550 0.008 0.000 0.290 315 Y C 2.693 178.699 175.900 0.176 0.000 1.145 315 Y CA 1.772 59.845 58.100 -0.045 0.000 1.203 315 Y CB -0.854 37.764 38.460 0.263 0.000 0.984 315 Y HN 0.334 nan 8.280 nan 0.000 0.533 316 E N 0.182 120.570 120.200 0.314 0.000 2.072 316 E HA -0.186 4.168 4.350 0.007 0.000 0.190 316 E C 1.896 178.628 176.600 0.220 0.000 0.982 316 E CA 1.058 57.624 56.400 0.277 0.000 0.803 316 E CB 0.016 29.863 29.700 0.246 0.000 0.755 316 E HN 0.369 nan 8.360 nan 0.000 0.453 317 K N 0.351 120.849 120.400 0.162 0.000 2.147 317 K HA -0.128 4.197 4.320 0.007 0.000 0.205 317 K C 2.082 178.839 176.600 0.260 0.000 1.049 317 K CA 1.214 57.598 56.287 0.161 0.000 0.936 317 K CB 0.025 32.446 32.500 -0.132 0.000 0.722 317 K HN 0.207 nan 8.250 nan 0.000 0.446 318 E N 0.890 121.193 120.200 0.172 0.000 2.107 318 E HA -0.157 4.198 4.350 0.007 0.000 0.191 318 E C 2.104 178.781 176.600 0.129 0.000 0.982 318 E CA 0.615 57.146 56.400 0.219 0.000 0.809 318 E CB -0.039 29.686 29.700 0.042 0.000 0.756 318 E HN 0.237 nan 8.360 nan 0.000 0.459 319 L N 1.216 122.549 121.223 0.184 0.000 2.017 319 L HA -0.251 4.094 4.340 0.007 0.000 0.208 319 L C 2.403 179.386 176.870 0.188 0.000 1.073 319 L CA 1.526 56.486 54.840 0.200 0.000 0.745 319 L CB -0.092 42.164 42.059 0.330 0.000 0.894 319 L HN 0.080 nan 8.230 nan 0.000 0.432 320 Q N -1.339 118.601 119.800 0.233 0.000 2.234 320 Q HA -0.241 4.103 4.340 0.007 0.000 0.206 320 Q C 1.924 178.067 176.000 0.238 0.000 0.980 320 Q CA 1.932 57.867 55.803 0.219 0.000 0.869 320 Q CB -0.131 28.737 28.738 0.217 0.000 0.912 320 Q HN 0.571 nan 8.270 nan 0.000 0.436 321 F N -1.348 118.672 119.950 0.117 0.000 2.220 321 F HA -0.056 4.475 4.527 0.007 0.000 0.290 321 F C 1.127 176.974 175.800 0.078 0.000 1.080 321 F CA 0.878 58.924 58.000 0.077 0.000 1.318 321 F CB -0.058 38.960 39.000 0.029 0.000 1.063 321 F HN -0.002 nan 8.300 nan 0.000 0.498 322 W N -0.880 120.532 121.300 0.186 0.000 2.640 322 W HA 0.131 4.795 4.660 0.007 0.000 0.268 322 W C 1.942 178.340 176.519 -0.202 0.000 1.263 322 W CA 0.898 58.204 57.345 -0.064 0.000 1.344 322 W CB -0.181 28.972 29.460 -0.511 0.000 1.093 322 W HN -0.213 nan 8.180 nan 0.000 0.603 323 V N -1.080 118.886 119.914 0.086 0.000 3.151 323 V HA 0.505 4.629 4.120 0.007 0.000 0.241 323 V C 0.992 177.093 176.094 0.013 0.000 1.173 323 V CA 1.179 63.521 62.300 0.070 0.000 1.154 323 V CB 0.029 31.966 31.823 0.190 0.000 0.898 323 V HN 0.133 nan 8.190 nan 0.000 0.473 324 G N -0.126 108.717 108.800 0.071 0.000 2.462 324 G HA2 -0.115 3.849 3.960 0.007 0.000 0.685 324 G HA3 -0.115 3.849 3.960 0.007 0.000 0.685 324 G C 0.319 175.273 174.900 0.090 0.000 1.295 324 G CA -0.057 45.080 45.100 0.062 0.000 0.941 324 G HN 0.053 nan 8.290 nan 0.000 0.554 325 S N -0.718 115.025 115.700 0.071 0.000 2.474 325 S HA -0.022 4.452 4.470 0.007 0.000 0.235 325 S C 2.372 177.013 174.600 0.068 0.000 0.997 325 S CA 1.975 60.220 58.200 0.076 0.000 0.949 325 S CB -0.163 63.071 63.200 0.057 0.000 0.766 325 S HN 0.815 nan 8.310 nan 0.000 0.517 326 T N 0.871 115.452 114.554 0.045 0.000 2.867 326 T HA 0.117 4.471 4.350 0.007 0.000 0.268 326 T C 1.673 176.424 174.700 0.086 0.000 1.057 326 T CA 1.152 63.279 62.100 0.045 0.000 1.136 326 T CB -0.604 68.273 68.868 0.015 0.000 0.874 326 T HN 0.622 nan 8.240 nan 0.000 0.466 327 G N 1.892 110.763 108.800 0.117 0.000 2.155 327 G HA2 -0.248 3.717 3.960 0.007 0.000 0.257 327 G HA3 -0.248 3.717 3.960 0.007 0.000 0.257 327 G C 0.073 175.078 174.900 0.174 0.000 0.983 327 G CA 0.281 45.488 45.100 0.179 0.000 0.676 327 G HN 0.595 nan 8.290 nan 0.000 0.528 328 N N -0.256 118.513 118.700 0.115 0.000 2.558 328 N HA 0.379 5.123 4.740 0.007 0.000 0.285 328 N C -1.180 174.371 175.510 0.068 0.000 1.112 328 N CA -1.572 51.534 53.050 0.093 0.000 0.857 328 N CB 2.024 40.548 38.487 0.062 0.000 1.376 328 N HN -0.047 nan 8.380 nan 0.000 0.526 329 P HA -0.115 nan 4.420 nan 0.000 0.220 329 P C 0.764 178.094 177.300 0.050 0.000 1.144 329 P CA 0.930 64.116 63.100 0.142 0.000 0.800 329 P CB 0.419 32.321 31.700 0.338 0.000 0.772 330 A N -0.274 122.542 122.820 -0.005 0.000 2.030 330 A HA -0.001 4.323 4.320 0.007 0.000 0.215 330 A C 1.210 178.766 177.584 -0.048 0.000 1.164 330 A CA 0.769 52.774 52.037 -0.053 0.000 0.697 330 A CB -0.180 18.759 19.000 -0.102 0.000 0.827 330 A HN 0.035 nan 8.150 nan 0.000 0.457 331 E N 1.886 122.068 120.200 -0.029 0.000 2.969 331 E HA 0.199 4.553 4.350 0.007 0.000 0.213 331 E C -0.777 175.800 176.600 -0.039 0.000 1.107 331 E CA -0.146 56.236 56.400 -0.031 0.000 1.007 331 E CB 0.189 29.882 29.700 -0.012 0.000 1.326 331 E HN 0.473 nan 8.360 nan 0.000 0.432 332 T N -1.352 113.169 114.554 -0.055 0.000 2.882 332 T HA 0.261 4.616 4.350 0.007 0.000 0.287 332 T C 0.106 174.740 174.700 -0.111 0.000 0.992 332 T CA -0.933 61.118 62.100 -0.082 0.000 1.076 332 T CB 1.885 70.703 68.868 -0.084 0.000 0.961 332 T HN -0.050 nan 8.240 nan 0.000 0.490 333 D N 1.434 121.713 120.400 -0.202 0.000 2.479 333 D HA 0.311 4.956 4.640 0.007 0.000 0.218 333 D C 1.426 177.458 176.300 -0.446 0.000 1.131 333 D CA -0.576 53.289 54.000 -0.224 0.000 0.916 333 D CB 0.056 40.768 40.800 -0.147 0.000 1.022 333 D HN 0.751 nan 8.370 nan 0.000 0.515 334 G N 2.442 110.912 108.800 -0.549 0.000 2.625 334 G HA2 -0.195 3.769 3.960 0.007 0.000 0.214 334 G HA3 -0.195 3.769 3.960 0.007 0.000 0.214 334 G C 1.076 175.712 174.900 -0.440 0.000 1.132 334 G CA 0.329 44.837 45.100 -0.988 0.000 0.782 334 G HN 0.384 nan 8.290 nan 0.000 0.538 335 Q N 0.253 119.909 119.800 -0.241 0.000 2.392 335 Q HA 0.160 4.505 4.340 0.007 0.000 0.203 335 Q C 1.339 177.289 176.000 -0.083 0.000 0.917 335 Q CA -0.116 55.623 55.803 -0.107 0.000 0.939 335 Q CB 0.214 28.920 28.738 -0.054 0.000 1.063 335 Q HN 0.381 nan 8.270 nan 0.000 0.516 336 S N 1.236 116.848 115.700 -0.147 0.000 2.579 336 S HA 0.064 4.538 4.470 0.007 0.000 0.275 336 S C 1.229 175.827 174.600 -0.004 0.000 1.345 336 S CA -0.456 57.697 58.200 -0.080 0.000 1.031 336 S CB 0.598 63.724 63.200 -0.124 0.000 0.892 336 S HN 0.152 nan 8.310 nan 0.000 0.529 337 N N 2.222 120.974 118.700 0.086 0.000 2.149 337 N HA -0.091 4.653 4.740 0.007 0.000 0.188 337 N C -0.017 175.689 175.510 0.326 0.000 1.019 337 N CA 1.054 54.222 53.050 0.196 0.000 0.857 337 N CB -0.081 38.512 38.487 0.177 0.000 0.997 337 N HN 0.763 nan 8.380 nan 0.000 0.426 338 W N 1.559 122.857 121.300 -0.005 0.000 2.483 338 W HA 0.281 4.945 4.660 0.008 0.000 0.291 338 W C -2.281 174.078 176.519 -0.267 0.000 0.997 338 W CA -1.798 55.503 57.345 -0.073 0.000 1.591 338 W CB 1.304 30.710 29.460 -0.089 0.000 1.434 338 W HN 0.013 nan 8.180 nan 0.000 0.420 339 P HA -0.006 nan 4.420 nan 0.000 0.222 339 P C 0.666 177.523 177.300 -0.738 0.000 1.147 339 P CA 1.666 64.261 63.100 -0.842 0.000 0.790 339 P CB 0.368 31.151 31.700 -1.529 0.000 0.780 340 G N -1.227 107.040 108.800 -0.889 0.000 2.690 340 G HA2 -0.186 3.779 3.960 0.007 0.000 0.686 340 G HA3 -0.186 3.779 3.960 0.007 0.000 0.686 340 G C 0.414 174.964 174.900 -0.584 0.000 1.277 340 G CA -0.358 44.397 45.100 -0.575 0.000 0.799 340 G HN -0.149 nan 8.290 nan 0.000 0.613 341 M N 0.910 120.280 119.600 -0.384 0.000 2.296 341 M HA 0.001 4.486 4.480 0.007 0.000 0.265 341 M C 2.888 179.009 176.300 -0.299 0.000 1.064 341 M CA 2.195 57.388 55.300 -0.179 0.000 1.109 341 M CB -1.669 30.901 32.600 -0.050 0.000 1.396 341 M HN 1.280 nan 8.290 nan 0.000 0.430 342 A N -1.001 121.475 122.820 -0.573 0.000 2.070 342 A HA -0.214 4.110 4.320 0.007 0.000 0.220 342 A C 1.974 179.361 177.584 -0.329 0.000 1.159 342 A CA 1.868 53.630 52.037 -0.459 0.000 0.656 342 A CB -1.116 17.751 19.000 -0.222 0.000 0.800 342 A HN 0.560 nan 8.150 nan 0.000 0.453 343 H N -2.077 116.610 119.070 -0.638 0.000 2.422 343 H HA -0.158 4.402 4.556 0.008 0.000 0.298 343 H C 1.460 176.180 175.328 -1.015 0.000 1.098 343 H CA 2.306 57.784 56.048 -0.951 0.000 1.315 343 H CB -0.028 28.811 29.762 -1.540 0.000 1.382 343 H HN 0.678 nan 8.280 nan 0.000 0.523 344 W N -1.483 119.474 121.300 -0.573 0.000 2.901 344 W HA 0.231 4.895 4.660 0.007 0.000 0.281 344 W C -0.565 175.466 176.519 -0.813 0.000 1.167 344 W CA -0.182 56.613 57.345 -0.917 0.000 1.506 344 W CB 0.192 28.722 29.460 -1.550 0.000 0.985 344 W HN -0.037 nan 8.180 nan 0.000 0.590 345 F N 1.376 121.319 119.950 -0.012 0.000 2.493 345 F HA 0.418 4.949 4.527 0.007 0.000 0.329 345 F C -2.095 173.840 175.800 0.224 0.000 1.126 345 F CA -2.665 55.416 58.000 0.135 0.000 0.937 345 F CB 0.884 40.039 39.000 0.259 0.000 1.146 345 F HN -0.451 nan 8.300 nan 0.000 0.442 346 P HA 0.125 nan 4.420 nan 0.000 0.267 346 P C -0.777 176.799 177.300 0.461 0.000 1.200 346 P CA -0.178 63.127 63.100 0.341 0.000 0.772 346 P CB 0.609 32.443 31.700 0.224 0.000 0.855 347 A N 3.469 126.535 122.820 0.410 0.000 2.363 347 A HA 0.402 4.727 4.320 0.007 0.000 0.270 347 A C 0.193 177.832 177.584 0.092 0.000 1.121 347 A CA -0.235 51.885 52.037 0.138 0.000 0.800 347 A CB 0.093 19.124 19.000 0.051 0.000 1.052 347 A HN 0.344 nan 8.150 nan 0.000 0.493 348 K N 1.009 121.441 120.400 0.054 0.000 2.166 348 K HA 0.683 5.008 4.320 0.007 0.000 0.245 348 K C -0.500 176.080 176.600 -0.034 0.000 0.967 348 K CA -0.505 55.807 56.287 0.041 0.000 0.863 348 K CB 1.698 34.254 32.500 0.092 0.000 1.107 348 K HN 0.564 nan 8.250 nan 0.000 0.436 349 S N -0.504 115.159 115.700 -0.061 0.000 2.541 349 S HA 0.261 4.735 4.470 0.007 0.000 0.280 349 S C -0.184 174.364 174.600 -0.088 0.000 1.112 349 S CA -0.471 57.661 58.200 -0.114 0.000 0.925 349 S CB 1.625 64.704 63.200 -0.202 0.000 1.067 349 S HN 0.586 nan 8.310 nan 0.000 0.479 350 T N 2.688 117.194 114.554 -0.080 0.000 3.134 350 T HA 0.387 4.742 4.350 0.007 0.000 0.260 350 T C 0.526 175.160 174.700 -0.110 0.000 1.027 350 T CA 0.342 62.408 62.100 -0.058 0.000 0.913 350 T CB -0.542 68.320 68.868 -0.009 0.000 1.046 350 T HN 0.750 nan 8.240 nan 0.000 0.553 351 A N 1.590 124.238 122.820 -0.288 0.000 3.077 351 A HA 0.389 4.713 4.320 0.007 0.000 0.255 351 A C 1.414 178.748 177.584 -0.417 0.000 1.728 351 A CA -0.003 51.643 52.037 -0.652 0.000 1.383 351 A CB -1.013 17.136 19.000 -1.418 0.000 1.097 351 A HN 0.539 nan 8.150 nan 0.000 0.634 352 T N -3.202 111.234 114.554 -0.196 0.000 3.145 352 T HA 0.429 4.784 4.350 0.007 0.000 0.281 352 T C 0.242 174.900 174.700 -0.070 0.000 1.003 352 T CA 0.321 62.347 62.100 -0.124 0.000 0.901 352 T CB -0.096 68.726 68.868 -0.077 0.000 1.112 352 T HN 0.637 nan 8.240 nan 0.000 0.535 353 S N 0.448 116.119 115.700 -0.047 0.000 2.533 353 S HA 0.629 5.104 4.470 0.007 0.000 0.271 353 S C -1.211 173.408 174.600 0.031 0.000 1.143 353 S CA -0.526 57.672 58.200 -0.002 0.000 0.891 353 S CB 1.790 64.999 63.200 0.016 0.000 1.105 353 S HN 0.194 nan 8.310 nan 0.000 0.468 354 V N 5.010 124.939 119.914 0.024 0.000 2.481 354 V HA 0.531 4.655 4.120 0.007 0.000 0.286 354 V C -1.949 174.167 176.094 0.037 0.000 1.042 354 V CA -1.405 60.917 62.300 0.036 0.000 0.928 354 V CB 0.947 32.779 31.823 0.015 0.000 0.986 354 V HN 0.849 nan 8.190 nan 0.000 0.462 355 P HA 0.358 nan 4.420 nan 0.000 0.279 355 P C -1.089 176.259 177.300 0.079 0.000 1.239 355 P CA -0.351 62.774 63.100 0.041 0.000 0.789 355 P CB 0.434 32.146 31.700 0.019 0.000 0.933 356 F N 3.469 123.360 119.950 -0.097 0.000 2.427 356 F HA 0.526 5.058 4.527 0.008 0.000 0.346 356 F C -1.101 174.586 175.800 -0.189 0.000 1.120 356 F CA -0.762 57.147 58.000 -0.152 0.000 1.033 356 F CB 1.006 39.882 39.000 -0.206 0.000 1.126 356 F HN 0.043 nan 8.300 nan 0.000 0.462 357 V N 4.823 124.154 119.914 -0.972 0.000 2.686 357 V HA 0.622 4.746 4.120 0.007 0.000 0.306 357 V C -0.553 174.905 176.094 -1.060 0.000 1.065 357 V CA -0.640 61.151 62.300 -0.848 0.000 0.894 357 V CB 1.909 33.470 31.823 -0.437 0.000 1.004 357 V HN 0.853 nan 8.190 nan 0.000 0.424 358 T N 1.617 115.542 114.554 -1.048 0.000 2.956 358 T HA 0.572 4.926 4.350 0.007 0.000 0.312 358 T C -0.512 173.635 174.700 -0.922 0.000 1.151 358 T CA -0.286 61.289 62.100 -0.874 0.000 1.024 358 T CB 1.303 69.642 68.868 -0.882 0.000 1.140 358 T HN 0.801 nan 8.240 nan 0.000 0.473 359 H N 3.002 121.777 119.070 -0.491 0.000 2.784 359 H HA 0.397 4.957 4.556 0.007 0.000 0.273 359 H C -0.112 175.293 175.328 0.128 0.000 1.112 359 H CA -0.327 55.595 56.048 -0.209 0.000 1.162 359 H CB -0.114 29.484 29.762 -0.274 0.000 1.586 359 H HN 0.650 nan 8.280 nan 0.000 0.548 360 F N -0.152 119.900 119.950 0.171 0.000 3.091 360 F HA -0.289 4.243 4.527 0.008 0.000 0.288 360 F C 0.454 176.382 175.800 0.213 0.000 0.907 360 F CA 0.096 58.264 58.000 0.280 0.000 1.028 360 F CB -1.743 37.476 39.000 0.364 0.000 1.022 360 F HN 0.324 nan 8.300 nan 0.000 0.665 361 N N 1.388 120.249 118.700 0.268 0.000 2.431 361 N HA 0.081 4.825 4.740 0.007 0.000 0.265 361 N C 1.257 176.887 175.510 0.200 0.000 1.184 361 N CA 0.993 54.193 53.050 0.250 0.000 0.943 361 N CB 1.114 39.752 38.487 0.252 0.000 1.080 361 N HN 0.353 nan 8.380 nan 0.000 0.477 362 T N 0.600 115.251 114.554 0.162 0.000 3.100 362 T HA 0.216 4.570 4.350 0.007 0.000 0.253 362 T C 1.214 176.012 174.700 0.164 0.000 1.118 362 T CA 0.600 62.752 62.100 0.086 0.000 1.058 362 T CB 0.039 68.927 68.868 0.033 0.000 0.953 362 T HN 0.628 nan 8.240 nan 0.000 0.515 363 G N 0.837 109.760 108.800 0.205 0.000 2.238 363 G HA2 -0.138 3.827 3.960 0.007 0.000 0.217 363 G HA3 -0.138 3.827 3.960 0.007 0.000 0.217 363 G C 0.243 175.050 174.900 -0.154 0.000 0.996 363 G CA 0.224 45.426 45.100 0.171 0.000 0.632 363 G HN 1.484 nan 8.290 nan 0.000 0.503 364 S N -1.199 114.269 115.700 -0.386 0.000 2.671 364 S HA 0.959 5.434 4.470 0.007 0.000 0.277 364 S C -0.258 173.909 174.600 -0.721 0.000 1.165 364 S CA 0.325 57.930 58.200 -0.991 0.000 0.822 364 S CB 2.182 65.082 63.200 -0.500 0.000 1.150 364 S HN 2.032 nan 8.310 nan 0.000 0.479 365 G N -1.089 107.165 108.800 -0.909 0.000 2.646 365 G HA2 0.674 4.639 3.960 0.007 0.000 0.291 365 G HA3 0.674 4.639 3.960 0.007 0.000 0.291 365 G C 0.005 174.559 174.900 -0.577 0.000 1.445 365 G CA -0.229 44.690 45.100 -0.302 0.000 0.814 365 G HN 1.345 nan 8.290 nan 0.000 0.495 366 A N -0.570 121.793 122.820 -0.761 0.000 2.251 366 A HA 0.535 4.859 4.320 0.007 0.000 0.209 366 A C 0.793 178.340 177.584 -0.062 0.000 1.187 366 A CA 1.322 53.003 52.037 -0.594 0.000 0.823 366 A CB -0.006 18.587 19.000 -0.679 0.000 0.846 366 A HN 0.890 nan 8.150 nan 0.000 0.486 367 Q N -1.596 118.317 119.800 0.189 0.000 2.776 367 Q HA 0.381 4.725 4.340 0.007 0.000 0.289 367 Q C -2.438 173.845 176.000 0.472 0.000 0.912 367 Q CA -0.550 55.419 55.803 0.277 0.000 0.789 367 Q CB 0.689 29.509 28.738 0.136 0.000 1.498 367 Q HN 0.179 nan 8.270 nan 0.000 0.408 368 F N 1.026 121.066 119.950 0.150 0.000 2.539 368 F HA 0.617 5.148 4.527 0.007 0.000 0.318 368 F C -0.995 174.792 175.800 -0.022 0.000 1.135 368 F CA -0.152 57.845 58.000 -0.005 0.000 0.915 368 F CB 2.141 40.928 39.000 -0.354 0.000 1.176 368 F HN 0.424 nan 8.300 nan 0.000 0.440 369 S N 3.532 119.220 115.700 -0.021 0.000 2.537 369 S HA 0.910 5.384 4.470 0.007 0.000 0.301 369 S C -0.823 173.776 174.600 -0.002 0.000 1.092 369 S CA -0.646 57.562 58.200 0.012 0.000 1.048 369 S CB 1.648 64.804 63.200 -0.073 0.000 1.053 369 S HN 0.808 nan 8.310 nan 0.000 0.501 370 A N 1.625 124.431 122.820 -0.023 0.000 2.343 370 A HA 0.681 5.006 4.320 0.007 0.000 0.308 370 A C 0.086 177.463 177.584 -0.346 0.000 1.092 370 A CA -0.684 51.281 52.037 -0.121 0.000 0.751 370 A CB 0.128 19.153 19.000 0.041 0.000 1.203 370 A HN 0.927 nan 8.150 nan 0.000 0.452 371 E N 1.189 120.957 120.200 -0.721 0.000 2.403 371 E HA -0.303 4.051 4.350 0.007 0.000 0.241 371 E C 1.080 177.234 176.600 -0.743 0.000 1.201 371 E CA 1.249 57.020 56.400 -1.049 0.000 0.721 371 E CB -1.481 27.995 29.700 -0.373 0.000 1.245 371 E HN 2.196 nan 8.360 nan 0.000 0.392 372 G N -0.220 108.129 108.800 -0.753 0.000 2.176 372 G HA2 -0.353 3.611 3.960 0.007 0.000 0.253 372 G HA3 -0.353 3.611 3.960 0.007 0.000 0.253 372 G C 0.176 175.124 174.900 0.081 0.000 0.979 372 G CA 0.652 45.650 45.100 -0.171 0.000 0.641 372 G HN 0.238 nan 8.290 nan 0.000 0.530 373 K N 1.034 121.421 120.400 -0.020 0.000 2.182 373 K HA 0.501 4.825 4.320 0.007 0.000 0.262 373 K C 0.045 176.671 176.600 0.043 0.000 0.957 373 K CA -0.417 55.893 56.287 0.037 0.000 0.842 373 K CB 1.142 33.651 32.500 0.016 0.000 1.099 373 K HN 0.065 nan 8.250 nan 0.000 0.438 374 T N 1.889 116.484 114.554 0.069 0.000 2.867 374 T HA 0.015 4.369 4.350 0.007 0.000 0.297 374 T C 1.068 175.824 174.700 0.093 0.000 0.989 374 T CA -0.118 62.035 62.100 0.088 0.000 1.159 374 T CB 0.289 69.204 68.868 0.080 0.000 0.928 374 T HN 0.497 nan 8.240 nan 0.000 0.538 375 V N 0.713 120.707 119.914 0.133 0.000 3.477 375 V HA 0.572 4.697 4.120 0.007 0.000 0.297 375 V C 0.364 176.519 176.094 0.101 0.000 1.433 375 V CA -0.216 62.169 62.300 0.142 0.000 1.052 375 V CB 0.231 32.198 31.823 0.240 0.000 0.895 375 V HN 0.722 nan 8.190 nan 0.000 0.438 376 S N -0.175 115.585 115.700 0.100 0.000 2.548 376 S HA 0.437 4.912 4.470 0.007 0.000 0.278 376 S C -0.180 174.488 174.600 0.112 0.000 1.150 376 S CA -0.354 57.890 58.200 0.074 0.000 0.907 376 S CB 2.080 65.287 63.200 0.011 0.000 1.108 376 S HN 0.221 nan 8.310 nan 0.000 0.459 377 E N 1.822 122.074 120.200 0.086 0.000 2.479 377 E HA 0.139 4.493 4.350 0.007 0.000 0.193 377 E C -0.099 176.559 176.600 0.097 0.000 1.049 377 E CA 0.158 56.608 56.400 0.082 0.000 0.870 377 E CB 0.319 30.045 29.700 0.045 0.000 0.944 377 E HN 0.579 nan 8.360 nan 0.000 0.492 378 Q N 0.802 120.679 119.800 0.129 0.000 2.259 378 Q HA 0.177 4.521 4.340 0.007 0.000 0.249 378 Q C 0.105 176.243 176.000 0.230 0.000 0.914 378 Q CA -0.064 55.825 55.803 0.144 0.000 0.904 378 Q CB 1.028 29.843 28.738 0.129 0.000 1.213 378 Q HN 0.142 nan 8.270 nan 0.000 0.428 379 E N 2.538 122.833 120.200 0.159 0.000 2.437 379 E HA 0.049 4.403 4.350 0.007 0.000 0.263 379 E C -0.391 176.397 176.600 0.313 0.000 1.030 379 E CA 0.372 56.867 56.400 0.158 0.000 0.934 379 E CB 0.484 30.257 29.700 0.121 0.000 0.943 379 E HN 0.484 nan 8.360 nan 0.000 0.444 380 W N 1.395 122.793 121.300 0.163 0.000 3.248 380 W HA 0.396 5.060 4.660 0.007 0.000 0.311 380 W C -1.660 174.974 176.519 0.191 0.000 1.258 380 W CA -1.089 56.350 57.345 0.156 0.000 1.191 380 W CB 0.272 29.839 29.460 0.178 0.000 1.389 380 W HN 0.581 nan 8.180 nan 0.000 0.561 381 N N 1.392 120.195 118.700 0.172 0.000 2.225 381 N HA 0.533 5.277 4.740 0.007 0.000 0.298 381 N C -1.653 174.083 175.510 0.377 0.000 1.076 381 N CA -0.680 52.383 53.050 0.022 0.000 0.792 381 N CB 2.071 40.506 38.487 -0.087 0.000 1.498 381 N HN 0.422 nan 8.380 nan 0.000 0.474 382 N N 0.987 119.966 118.700 0.466 0.000 2.932 382 N HA 0.188 4.933 4.740 0.007 0.000 0.242 382 N C -0.788 174.914 175.510 0.319 0.000 1.351 382 N CA -0.357 52.918 53.050 0.375 0.000 0.785 382 N CB 0.889 39.615 38.487 0.399 0.000 1.501 382 N HN 0.709 nan 8.380 nan 0.000 0.584 383 R N 0.414 121.027 120.500 0.189 0.000 2.357 383 R HA 0.101 4.445 4.340 0.007 0.000 0.202 383 R C 1.104 177.487 176.300 0.138 0.000 1.047 383 R CA 0.539 56.743 56.100 0.173 0.000 1.034 383 R CB 0.140 30.529 30.300 0.149 0.000 0.875 383 R HN 0.315 nan 8.270 nan 0.000 0.473 384 S N 0.619 116.392 115.700 0.121 0.000 2.447 384 S HA 0.035 4.509 4.470 0.007 0.000 0.233 384 S C 1.409 176.064 174.600 0.092 0.000 1.006 384 S CA 0.744 58.987 58.200 0.072 0.000 0.957 384 S CB 0.118 63.355 63.200 0.062 0.000 0.773 384 S HN 0.303 nan 8.310 nan 0.000 0.507 385 L N 0.758 122.088 121.223 0.178 0.000 2.607 385 L HA 0.231 4.576 4.340 0.007 0.000 0.228 385 L C 0.995 178.036 176.870 0.286 0.000 1.123 385 L CA -0.029 54.951 54.840 0.233 0.000 0.890 385 L CB -0.132 42.058 42.059 0.219 0.000 1.103 385 L HN 0.255 nan 8.230 nan 0.000 0.468 386 Q N 1.704 121.648 119.800 0.240 0.000 2.289 386 Q HA 0.011 4.356 4.340 0.007 0.000 0.273 386 Q C -0.578 175.525 176.000 0.172 0.000 1.029 386 Q CA -0.088 55.843 55.803 0.212 0.000 0.896 386 Q CB 0.785 29.643 28.738 0.201 0.000 1.182 386 Q HN 0.175 nan 8.270 nan 0.000 0.385 387 D N 2.228 122.720 120.400 0.154 0.000 2.358 387 D HA 0.095 4.740 4.640 0.007 0.000 0.244 387 D C -0.381 175.970 176.300 0.085 0.000 1.163 387 D CA -0.263 53.792 54.000 0.092 0.000 0.945 387 D CB 1.007 41.813 40.800 0.009 0.000 1.152 387 D HN 0.323 nan 8.370 nan 0.000 0.451 388 V N 2.189 122.146 119.914 0.071 0.000 2.450 388 V HA 0.027 4.151 4.120 0.007 0.000 0.281 388 V C 0.683 176.916 176.094 0.231 0.000 1.019 388 V CA 0.127 62.511 62.300 0.139 0.000 1.062 388 V CB -0.378 31.578 31.823 0.221 0.000 0.979 388 V HN 0.210 nan 8.190 nan 0.000 0.477 389 L N 6.771 128.099 121.223 0.176 0.000 2.387 389 L HA 0.486 4.831 4.340 0.007 0.000 0.266 389 L C -2.206 174.600 176.870 -0.106 0.000 1.059 389 L CA -2.203 52.752 54.840 0.192 0.000 0.801 389 L CB 0.902 43.051 42.059 0.150 0.000 1.223 389 L HN 0.349 nan 8.230 nan 0.000 0.456 390 P HA -0.028 nan 4.420 nan 0.000 0.260 390 P C 0.512 177.203 177.300 -1.014 0.000 1.185 390 P CA 0.338 62.849 63.100 -0.980 0.000 0.763 390 P CB 0.445 31.844 31.700 -0.501 0.000 0.776 391 T N 1.897 115.756 114.554 -1.159 0.000 2.680 391 T HA -0.172 4.182 4.350 0.007 0.000 0.268 391 T C 0.350 174.422 174.700 -1.046 0.000 1.033 391 T CA 1.361 62.714 62.100 -1.246 0.000 1.152 391 T CB -0.289 67.644 68.868 -1.558 0.000 0.859 391 T HN 0.430 nan 8.240 nan 0.000 0.452 392 W N 1.836 122.886 121.300 -0.418 0.000 2.475 392 W HA 0.513 5.177 4.660 0.007 0.000 0.317 392 W C -0.213 176.033 176.519 -0.454 0.000 1.046 392 W CA -1.001 56.189 57.345 -0.258 0.000 1.215 392 W CB 0.533 29.911 29.460 -0.136 0.000 1.335 392 W HN -0.115 nan 8.180 nan 0.000 0.471 393 R N 3.065 123.421 120.500 -0.240 0.000 2.415 393 R HA 0.309 4.654 4.340 0.007 0.000 0.292 393 R C -1.343 174.773 176.300 -0.307 0.000 1.295 393 R CA -0.375 55.153 56.100 -0.953 0.000 1.137 393 R CB 0.739 30.482 30.300 -0.927 0.000 1.135 393 R HN 0.436 nan 8.270 nan 0.000 0.560 394 W N 2.387 123.767 121.300 0.134 0.000 3.032 394 W HA 0.535 5.200 4.660 0.008 0.000 0.335 394 W C -0.095 176.417 176.519 -0.013 0.000 1.154 394 W CA -0.622 56.751 57.345 0.046 0.000 1.204 394 W CB 1.641 31.092 29.460 -0.016 0.000 1.416 394 W HN 0.179 nan 8.180 nan 0.000 0.521 395 I N 3.344 124.003 120.570 0.149 0.000 2.390 395 I HA 0.265 4.439 4.170 0.007 0.000 0.283 395 I C -0.379 175.585 176.117 -0.256 0.000 1.016 395 I CA -0.655 60.585 61.300 -0.100 0.000 1.151 395 I CB 0.792 38.637 38.000 -0.259 0.000 1.293 395 I HN 0.419 nan 8.210 nan 0.000 0.458 396 Q N 5.268 124.916 119.800 -0.253 0.000 2.416 396 Q HA 0.620 4.964 4.340 0.007 0.000 0.279 396 Q C -1.191 174.566 176.000 -0.405 0.000 1.101 396 Q CA -1.054 54.572 55.803 -0.295 0.000 0.830 396 Q CB 2.617 31.359 28.738 0.007 0.000 1.402 396 Q HN 0.439 nan 8.270 nan 0.000 0.445 397 H N -0.226 118.853 119.070 0.016 0.000 2.667 397 H HA 0.561 5.122 4.556 0.007 0.000 0.353 397 H C 0.204 175.545 175.328 0.021 0.000 1.072 397 H CA 0.024 56.071 56.048 -0.002 0.000 1.214 397 H CB 1.677 31.415 29.762 -0.039 0.000 1.600 397 H HN 0.938 nan 8.280 nan 0.000 0.527 398 G N 1.100 109.977 108.800 0.129 0.000 2.846 398 G HA2 0.272 4.237 3.960 0.007 0.000 0.660 398 G HA3 0.272 4.237 3.960 0.007 0.000 0.660 398 G C 0.301 175.217 174.900 0.026 0.000 1.464 398 G CA 0.019 45.156 45.100 0.061 0.000 0.891 398 G HN 1.447 nan 8.290 nan 0.000 0.552 399 G N -0.384 108.401 108.800 -0.024 0.000 2.877 399 G HA2 0.287 4.252 3.960 0.007 0.000 0.279 399 G HA3 0.287 4.252 3.960 0.007 0.000 0.279 399 G C -0.150 174.709 174.900 -0.068 0.000 1.431 399 G CA 0.979 46.034 45.100 -0.076 0.000 0.883 399 G HN 2.209 nan 8.290 nan 0.000 0.547 400 D N -0.238 120.098 120.400 -0.105 0.000 2.590 400 D HA 0.519 5.164 4.640 0.007 0.000 0.280 400 D C -0.017 176.194 176.300 -0.148 0.000 1.197 400 D CA -0.476 53.465 54.000 -0.099 0.000 0.967 400 D CB 0.042 40.786 40.800 -0.092 0.000 0.987 400 D HN 0.348 nan 8.370 nan 0.000 0.508 401 L N 1.478 122.620 121.223 -0.135 0.000 2.322 401 L HA 0.578 4.923 4.340 0.007 0.000 0.269 401 L C 0.103 176.898 176.870 -0.125 0.000 1.012 401 L CA -0.925 53.792 54.840 -0.205 0.000 0.815 401 L CB 1.683 43.579 42.059 -0.272 0.000 1.295 401 L HN 0.293 nan 8.230 nan 0.000 0.438 402 E N 1.078 121.138 120.200 -0.233 0.000 2.238 402 E HA 0.799 5.154 4.350 0.007 0.000 0.267 402 E C -1.655 174.906 176.600 -0.064 0.000 0.887 402 E CA -0.875 55.433 56.400 -0.155 0.000 0.769 402 E CB 2.068 31.638 29.700 -0.217 0.000 1.187 402 E HN 0.681 nan 8.360 nan 0.000 0.416 403 A N 2.911 125.564 122.820 -0.278 0.000 2.342 403 A HA 0.705 5.029 4.320 0.007 0.000 0.323 403 A C -0.518 176.446 177.584 -1.032 0.000 1.125 403 A CA -0.315 51.298 52.037 -0.706 0.000 0.785 403 A CB 1.964 20.250 19.000 -1.191 0.000 1.221 403 A HN 0.591 nan 8.150 nan 0.000 0.463 404 T N 0.623 114.727 114.554 -0.749 0.000 2.739 404 T HA 0.617 4.971 4.350 0.007 0.000 0.303 404 T C -1.532 172.904 174.700 -0.440 0.000 1.389 404 T CA -0.421 61.458 62.100 -0.368 0.000 1.001 404 T CB 0.357 69.233 68.868 0.012 0.000 1.436 404 T HN 0.382 nan 8.240 nan 0.000 0.500 405 F N 2.191 122.121 119.950 -0.034 0.000 2.384 405 F HA 0.610 5.141 4.527 0.007 0.000 0.338 405 F C 1.056 176.510 175.800 -0.577 0.000 1.103 405 F CA -0.172 57.609 58.000 -0.365 0.000 1.157 405 F CB 1.609 40.273 39.000 -0.560 0.000 1.167 405 F HN 0.422 nan 8.300 nan 0.000 0.529 406 S N 3.145 118.643 115.700 -0.336 0.000 2.482 406 S HA 0.370 4.844 4.470 0.007 0.000 0.303 406 S C -0.310 174.086 174.600 -0.339 0.000 1.091 406 S CA -0.626 57.469 58.200 -0.175 0.000 1.057 406 S CB 0.689 63.986 63.200 0.162 0.000 1.031 406 S HN 0.701 nan 8.310 nan 0.000 0.485 407 W N 2.428 123.835 121.300 0.178 0.000 3.123 407 W HA 0.294 4.958 4.660 0.007 0.000 0.383 407 W C 0.737 177.276 176.519 0.033 0.000 1.102 407 W CA -0.310 57.105 57.345 0.117 0.000 1.865 407 W CB 0.337 29.886 29.460 0.147 0.000 1.111 407 W HN 0.724 nan 8.180 nan 0.000 0.621 408 E N 0.435 120.727 120.200 0.153 0.000 2.276 408 E HA 0.013 4.368 4.350 0.007 0.000 0.193 408 E C 0.407 176.983 176.600 -0.040 0.000 0.983 408 E CA 0.991 57.415 56.400 0.040 0.000 0.861 408 E CB 0.569 30.266 29.700 -0.005 0.000 0.817 408 E HN 0.125 nan 8.360 nan 0.000 0.485 409 E N -0.074 120.093 120.200 -0.057 0.000 2.272 409 E HA 0.663 5.017 4.350 0.007 0.000 0.269 409 E C -1.055 175.681 176.600 0.228 0.000 0.877 409 E CA -0.696 55.699 56.400 -0.008 0.000 0.755 409 E CB 2.416 31.862 29.700 -0.422 0.000 1.192 409 E HN -0.001 nan 8.360 nan 0.000 0.422 410 A N 2.167 125.185 122.820 0.329 0.000 2.574 410 A HA 0.572 4.896 4.320 0.007 0.000 0.297 410 A C -0.946 176.633 177.584 -0.009 0.000 1.062 410 A CA -0.648 51.501 52.037 0.186 0.000 0.686 410 A CB 0.810 19.853 19.000 0.072 0.000 1.285 410 A HN 0.632 nan 8.150 nan 0.000 0.403 411 F N 0.444 120.097 119.950 -0.496 0.000 2.453 411 F HA 0.365 4.897 4.527 0.007 0.000 0.284 411 F C 0.241 175.839 175.800 -0.336 0.000 1.065 411 F CA 0.711 58.240 58.000 -0.784 0.000 1.411 411 F CB 0.569 38.886 39.000 -1.138 0.000 1.131 411 F HN 0.472 nan 8.300 nan 0.000 0.582 412 E N 0.726 120.804 120.200 -0.203 0.000 2.265 412 E HA 0.479 4.834 4.350 0.007 0.000 0.262 412 E C 0.119 176.537 176.600 -0.303 0.000 0.889 412 E CA 0.316 56.555 56.400 -0.268 0.000 0.789 412 E CB 1.144 30.640 29.700 -0.341 0.000 1.221 412 E HN 0.472 nan 8.360 nan 0.000 0.414 413 G N 2.341 110.673 108.800 -0.781 0.000 2.516 413 G HA2 -0.182 3.783 3.960 0.007 0.000 0.220 413 G HA3 -0.182 3.783 3.960 0.007 0.000 0.220 413 G C 0.434 174.940 174.900 -0.657 0.000 1.165 413 G CA -0.115 44.235 45.100 -1.251 0.000 1.013 413 G HN 0.631 nan 8.290 nan 0.000 0.590 414 G N -0.323 108.532 108.800 0.092 0.000 3.528 414 G HA2 0.680 4.644 3.960 0.007 0.000 0.266 414 G HA3 0.680 4.644 3.960 0.007 0.000 0.266 414 G C 0.318 175.406 174.900 0.313 0.000 1.004 414 G CA 1.623 46.945 45.100 0.371 0.000 0.853 414 G HN 2.009 nan 8.290 nan 0.000 0.501 415 S N -0.447 115.367 115.700 0.190 0.000 2.607 415 S HA 0.824 5.298 4.470 0.007 0.000 0.273 415 S C -0.635 174.056 174.600 0.151 0.000 1.148 415 S CA -0.127 58.093 58.200 0.033 0.000 0.833 415 S CB 2.034 65.125 63.200 -0.183 0.000 1.130 415 S HN 0.767 nan 8.310 nan 0.000 0.470 416 S N 0.326 116.108 115.700 0.135 0.000 2.697 416 S HA 0.772 5.247 4.470 0.007 0.000 0.289 416 S C -1.251 173.399 174.600 0.082 0.000 1.149 416 S CA -0.946 57.395 58.200 0.234 0.000 0.850 416 S CB 1.111 64.545 63.200 0.391 0.000 1.151 416 S HN 1.270 nan 8.310 nan 0.000 0.491 417 L N 1.789 122.884 121.223 -0.214 0.000 2.260 417 L HA 0.507 4.852 4.340 0.007 0.000 0.289 417 L C -0.059 176.627 176.870 -0.307 0.000 1.057 417 L CA -0.015 54.537 54.840 -0.479 0.000 0.811 417 L CB 0.847 42.318 42.059 -0.979 0.000 1.184 417 L HN 0.888 nan 8.230 nan 0.000 0.429 418 Q N 4.524 124.138 119.800 -0.310 0.000 2.257 418 Q HA 0.276 4.621 4.340 0.007 0.000 0.255 418 Q C -1.935 173.966 176.000 -0.165 0.000 0.920 418 Q CA -0.627 54.992 55.803 -0.308 0.000 0.927 418 Q CB 1.007 29.546 28.738 -0.331 0.000 1.229 418 Q HN 0.761 nan 8.270 nan 0.000 0.433 419 W N 6.078 127.208 121.300 -0.283 0.000 2.543 419 W HA 0.333 4.998 4.660 0.008 0.000 0.318 419 W C -1.705 174.824 176.519 0.018 0.000 1.002 419 W CA -0.476 56.782 57.345 -0.146 0.000 1.302 419 W CB 0.384 29.749 29.460 -0.158 0.000 1.299 419 W HN 0.834 nan 8.180 nan 0.000 0.424 420 H N 3.248 122.207 119.070 -0.185 0.000 3.037 420 H HA 0.891 5.451 4.556 0.007 0.000 0.355 420 H C 0.119 175.318 175.328 -0.216 0.000 1.263 420 H CA -0.507 55.394 56.048 -0.245 0.000 1.129 420 H CB 1.813 31.444 29.762 -0.219 0.000 1.861 420 H HN 0.723 nan 8.280 nan 0.000 0.546 421 G N 0.228 108.851 108.800 -0.295 0.000 2.292 421 G HA2 0.179 4.143 3.960 0.007 0.000 0.194 421 G HA3 0.179 4.143 3.960 0.007 0.000 0.194 421 G C -1.431 173.331 174.900 -0.230 0.000 1.329 421 G CA -0.384 44.534 45.100 -0.303 0.000 1.100 421 G HN 0.742 nan 8.290 nan 0.000 0.470 422 S N -0.069 115.502 115.700 -0.215 0.000 2.442 422 S HA 0.704 5.179 4.470 0.007 0.000 0.297 422 S C -0.961 173.520 174.600 -0.199 0.000 1.131 422 S CA -0.287 57.799 58.200 -0.190 0.000 1.092 422 S CB 1.463 64.575 63.200 -0.146 0.000 0.998 422 S HN 1.010 nan 8.310 nan 0.000 0.478 423 L N 3.619 124.721 121.223 -0.201 0.000 2.457 423 L HA 0.652 4.996 4.340 0.007 0.000 0.266 423 L C -0.079 176.697 176.870 -0.158 0.000 0.979 423 L CA -0.318 54.413 54.840 -0.183 0.000 0.857 423 L CB 0.915 42.850 42.059 -0.207 0.000 1.213 423 L HN 0.729 nan 8.230 nan 0.000 0.418 424 A N 3.500 126.239 122.820 -0.135 0.000 2.445 424 A HA 0.273 4.597 4.320 0.007 0.000 0.242 424 A C 0.326 177.836 177.584 -0.124 0.000 1.075 424 A CA -0.187 51.777 52.037 -0.122 0.000 0.777 424 A CB 0.033 18.970 19.000 -0.104 0.000 1.013 424 A HN 0.773 nan 8.150 nan 0.000 0.493 425 E N 0.633 120.767 120.200 -0.109 0.000 2.608 425 E HA 0.216 4.571 4.350 0.007 0.000 0.259 425 E C 1.370 177.898 176.600 -0.119 0.000 0.951 425 E CA 1.209 57.549 56.400 -0.100 0.000 0.945 425 E CB -0.061 29.592 29.700 -0.079 0.000 0.916 425 E HN 1.530 nan 8.360 nan 0.000 0.477 426 G N 3.417 112.135 108.800 -0.136 0.000 2.234 426 G HA2 -0.381 3.583 3.960 0.007 0.000 0.260 426 G HA3 -0.381 3.583 3.960 0.007 0.000 0.260 426 G C 0.217 174.899 174.900 -0.364 0.000 0.987 426 G CA 0.600 45.583 45.100 -0.195 0.000 0.625 426 G HN 0.684 nan 8.290 nan 0.000 0.532 427 E N 0.862 120.882 120.200 -0.299 0.000 2.313 427 E HA 0.490 4.845 4.350 0.007 0.000 0.272 427 E C -0.278 176.112 176.600 -0.349 0.000 1.038 427 E CA -0.833 55.377 56.400 -0.317 0.000 0.863 427 E CB 0.473 30.070 29.700 -0.172 0.000 1.060 427 E HN 0.407 nan 8.360 nan 0.000 0.402 428 H N 0.715 119.748 119.070 -0.062 0.000 2.533 428 H HA 0.702 5.262 4.556 0.008 0.000 0.343 428 H C -0.811 174.474 175.328 -0.071 0.000 1.160 428 H CA -0.588 55.415 56.048 -0.075 0.000 1.218 428 H CB 1.884 31.598 29.762 -0.080 0.000 1.566 428 H HN 0.596 nan 8.280 nan 0.000 0.522 429 A N 1.917 124.784 122.820 0.078 0.000 2.520 429 A HA 0.556 4.881 4.320 0.007 0.000 0.298 429 A C -1.181 176.489 177.584 0.144 0.000 1.051 429 A CA -0.760 51.331 52.037 0.090 0.000 0.690 429 A CB 1.907 20.912 19.000 0.007 0.000 1.281 429 A HN 0.607 nan 8.150 nan 0.000 0.402 430 Q N 0.157 120.014 119.800 0.096 0.000 2.413 430 Q HA 0.747 5.092 4.340 0.007 0.000 0.276 430 Q C -1.076 174.810 176.000 -0.189 0.000 1.099 430 Q CA -0.284 55.450 55.803 -0.115 0.000 0.814 430 Q CB 2.966 31.474 28.738 -0.382 0.000 1.379 430 Q HN 0.750 nan 8.270 nan 0.000 0.436 431 I N 0.648 120.934 120.570 -0.472 0.000 2.468 431 I HA 0.348 4.523 4.170 0.007 0.000 0.285 431 I C -1.121 174.742 176.117 -0.423 0.000 1.039 431 I CA -0.523 60.431 61.300 -0.576 0.000 1.074 431 I CB 1.245 38.581 38.000 -1.106 0.000 1.228 431 I HN 0.610 nan 8.210 nan 0.000 0.436 432 E N 7.211 127.200 120.200 -0.351 0.000 2.130 432 E HA 0.264 4.619 4.350 0.007 0.000 0.284 432 E C 0.130 176.825 176.600 0.158 0.000 1.018 432 E CA -0.231 56.014 56.400 -0.259 0.000 0.817 432 E CB 1.926 31.373 29.700 -0.421 0.000 1.078 432 E HN 0.681 nan 8.360 nan 0.000 0.396 433 L N 2.407 123.716 121.223 0.142 0.000 2.349 433 L HA 0.185 4.529 4.340 0.007 0.000 0.200 433 L C -0.066 176.553 176.870 -0.417 0.000 1.064 433 L CA 0.358 55.176 54.840 -0.037 0.000 0.821 433 L CB 0.390 42.399 42.059 -0.083 0.000 1.027 433 L HN 0.508 nan 8.230 nan 0.000 0.476 434 Y N -0.169 120.053 120.300 -0.130 0.000 2.391 434 Y HA 0.411 4.966 4.550 0.007 0.000 0.341 434 Y C -0.100 175.491 175.900 -0.516 0.000 0.965 434 Y CA -0.946 56.869 58.100 -0.474 0.000 1.067 434 Y CB 1.704 39.987 38.460 -0.294 0.000 1.199 434 Y HN -0.068 nan 8.280 nan 0.000 0.450 435 Q N 2.538 121.900 119.800 -0.729 0.000 2.286 435 Q HA 0.505 4.849 4.340 0.007 0.000 0.257 435 Q C -0.346 175.528 176.000 -0.211 0.000 0.941 435 Q CA -0.096 55.550 55.803 -0.263 0.000 0.912 435 Q CB 0.882 29.481 28.738 -0.232 0.000 1.192 435 Q HN 0.787 nan 8.270 nan 0.000 0.410 436 T N 0.147 114.611 114.554 -0.150 0.000 2.778 436 T HA 0.607 4.962 4.350 0.007 0.000 0.293 436 T C -0.933 173.669 174.700 -0.163 0.000 1.144 436 T CA -0.965 60.993 62.100 -0.237 0.000 1.010 436 T CB 1.489 70.171 68.868 -0.311 0.000 1.325 436 T HN 0.594 nan 8.240 nan 0.000 0.515 437 E N 0.775 120.868 120.200 -0.177 0.000 3.011 437 E HA 0.383 4.737 4.350 0.007 0.000 0.315 437 E C -1.629 174.904 176.600 -0.113 0.000 1.176 437 E CA -0.367 55.964 56.400 -0.116 0.000 0.819 437 E CB 0.390 30.040 29.700 -0.083 0.000 1.508 437 E HN 0.605 nan 8.360 nan 0.000 0.381 438 L N 3.967 125.122 121.223 -0.114 0.000 2.318 438 L HA 0.497 4.842 4.340 0.007 0.000 0.277 438 L C -2.358 174.471 176.870 -0.068 0.000 1.008 438 L CA -2.220 52.564 54.840 -0.094 0.000 0.846 438 L CB 1.321 43.314 42.059 -0.111 0.000 1.220 438 L HN 0.217 nan 8.230 nan 0.000 0.423 439 P HA 0.142 nan 4.420 nan 0.000 0.266 439 P C -0.338 176.947 177.300 -0.025 0.000 1.215 439 P CA 0.218 63.301 63.100 -0.028 0.000 0.763 439 P CB 0.375 32.065 31.700 -0.016 0.000 0.806 440 I N 2.599 123.156 120.570 -0.021 0.000 2.428 440 I HA 0.257 4.432 4.170 0.007 0.000 0.289 440 I C 0.937 177.060 176.117 0.009 0.000 1.019 440 I CA 0.185 61.477 61.300 -0.013 0.000 1.351 440 I CB 0.783 38.778 38.000 -0.008 0.000 1.412 440 I HN 0.380 nan 8.210 nan 0.000 0.513 441 S N 3.572 119.277 115.700 0.009 0.000 2.661 441 S HA 0.481 4.956 4.470 0.007 0.000 0.285 441 S C -0.753 173.857 174.600 0.017 0.000 1.138 441 S CA -1.122 57.087 58.200 0.014 0.000 0.855 441 S CB 1.500 64.706 63.200 0.010 0.000 1.136 441 S HN 0.563 nan 8.310 nan 0.000 0.484 442 E N 0.008 120.218 120.200 0.017 0.000 2.442 442 E HA 0.401 4.756 4.350 0.007 0.000 0.262 442 E C 1.247 177.857 176.600 0.017 0.000 1.004 442 E CA 1.288 57.698 56.400 0.017 0.000 0.928 442 E CB 0.086 29.794 29.700 0.013 0.000 0.937 442 E HN 1.196 nan 8.360 nan 0.000 0.446 443 G N 2.697 111.509 108.800 0.020 0.000 2.195 443 G HA2 -0.271 3.694 3.960 0.007 0.000 0.246 443 G HA3 -0.271 3.694 3.960 0.007 0.000 0.246 443 G C 0.391 175.303 174.900 0.021 0.000 0.984 443 G CA 0.183 45.295 45.100 0.021 0.000 0.633 443 G HN 0.530 nan 8.290 nan 0.000 0.525 444 T N 2.017 116.582 114.554 0.018 0.000 2.794 444 T HA 0.592 4.946 4.350 0.007 0.000 0.296 444 T C 0.186 174.894 174.700 0.014 0.000 0.949 444 T CA 0.649 62.755 62.100 0.011 0.000 1.101 444 T CB 1.454 70.320 68.868 -0.003 0.000 0.905 444 T HN 0.306 nan 8.240 nan 0.000 0.516 445 S N 2.610 118.324 115.700 0.023 0.000 2.600 445 S HA 0.585 5.059 4.470 0.007 0.000 0.300 445 S C -0.623 174.010 174.600 0.055 0.000 1.087 445 S CA -0.799 57.428 58.200 0.045 0.000 0.965 445 S CB 1.265 64.505 63.200 0.067 0.000 1.089 445 S HN 0.530 nan 8.310 nan 0.000 0.496 446 L N 2.952 124.236 121.223 0.102 0.000 2.265 446 L HA 0.477 4.821 4.340 0.007 0.000 0.289 446 L C 0.136 177.235 176.870 0.382 0.000 1.033 446 L CA -0.233 54.724 54.840 0.196 0.000 0.814 446 L CB 1.153 43.313 42.059 0.168 0.000 1.203 446 L HN 0.807 nan 8.230 nan 0.000 0.423 447 T N -0.282 114.479 114.554 0.346 0.000 2.912 447 T HA 0.747 5.101 4.350 0.007 0.000 0.288 447 T C -0.936 174.118 174.700 0.589 0.000 1.030 447 T CA -0.681 61.625 62.100 0.343 0.000 1.020 447 T CB 1.744 70.689 68.868 0.128 0.000 1.056 447 T HN 0.627 nan 8.240 nan 0.000 0.480 448 W N -0.492 120.956 121.300 0.248 0.000 3.146 448 W HA 0.665 5.330 4.660 0.007 0.000 0.319 448 W C -1.949 174.739 176.519 0.282 0.000 1.258 448 W CA -1.084 56.441 57.345 0.299 0.000 1.189 448 W CB 0.738 30.504 29.460 0.509 0.000 1.412 448 W HN 0.722 nan 8.180 nan 0.000 0.567 449 T N 3.371 118.141 114.554 0.360 0.000 2.928 449 T HA 0.656 5.010 4.350 0.007 0.000 0.296 449 T C -1.310 173.677 174.700 0.478 0.000 1.000 449 T CA -0.493 61.677 62.100 0.117 0.000 0.989 449 T CB 0.903 69.490 68.868 -0.469 0.000 1.005 449 T HN 0.676 nan 8.240 nan 0.000 0.442 450 F N -0.099 120.058 119.950 0.344 0.000 2.662 450 F HA 0.817 5.349 4.527 0.007 0.000 0.312 450 F C -1.192 174.653 175.800 0.075 0.000 1.113 450 F CA -1.387 56.837 58.000 0.374 0.000 0.951 450 F CB 1.466 40.618 39.000 0.253 0.000 1.344 450 F HN 0.197 nan 8.300 nan 0.000 0.462 451 K N 0.863 121.139 120.400 -0.205 0.000 2.203 451 K HA 0.633 4.958 4.320 0.007 0.000 0.251 451 K C -1.241 175.438 176.600 0.132 0.000 0.944 451 K CA -1.090 54.958 56.287 -0.398 0.000 0.829 451 K CB 1.981 34.044 32.500 -0.728 0.000 1.125 451 K HN 0.732 nan 8.250 nan 0.000 0.430 452 S N 1.773 117.495 115.700 0.037 0.000 2.756 452 S HA 0.128 4.603 4.470 0.007 0.000 0.303 452 S C 0.293 174.786 174.600 -0.179 0.000 1.135 452 S CA -0.631 57.562 58.200 -0.013 0.000 1.066 452 S CB 0.831 64.140 63.200 0.183 0.000 1.008 452 S HN 0.524 nan 8.310 nan 0.000 0.482 453 E N 2.714 122.734 120.200 -0.299 0.000 2.338 453 E HA -0.050 4.304 4.350 0.007 0.000 0.197 453 E C 0.378 176.632 176.600 -0.576 0.000 1.007 453 E CA 0.989 57.131 56.400 -0.429 0.000 0.849 453 E CB -0.064 29.322 29.700 -0.523 0.000 0.774 453 E HN 0.713 nan 8.360 nan 0.000 0.506 454 H N -0.411 118.548 119.070 -0.186 0.000 2.916 454 H HA 0.132 4.692 4.556 0.007 0.000 0.262 454 H C -0.202 175.060 175.328 -0.111 0.000 1.178 454 H CA -0.107 55.851 56.048 -0.150 0.000 1.090 454 H CB 0.928 30.578 29.762 -0.187 0.000 1.657 454 H HN -0.010 nan 8.280 nan 0.000 0.601 455 D N -0.043 120.349 120.400 -0.013 0.000 2.792 455 D HA -0.175 4.470 4.640 0.007 0.000 0.192 455 D C 0.025 176.394 176.300 0.115 0.000 1.007 455 D CA 0.789 54.819 54.000 0.050 0.000 1.020 455 D CB -1.426 39.401 40.800 0.044 0.000 1.089 455 D HN 0.414 nan 8.370 nan 0.000 0.438 456 N N 1.765 120.507 118.700 0.071 0.000 2.345 456 N HA 0.187 4.931 4.740 0.007 0.000 0.243 456 N C -0.013 175.719 175.510 0.370 0.000 1.246 456 N CA 0.472 53.624 53.050 0.170 0.000 0.863 456 N CB 0.432 39.014 38.487 0.158 0.000 1.096 456 N HN 0.196 nan 8.380 nan 0.000 0.446 457 D N -0.117 120.500 120.400 0.363 0.000 2.312 457 D HA 0.347 4.991 4.640 0.007 0.000 0.248 457 D C -1.164 175.267 176.300 0.218 0.000 1.086 457 D CA -0.515 53.748 54.000 0.439 0.000 0.948 457 D CB 0.657 41.690 40.800 0.387 0.000 1.162 457 D HN 0.270 nan 8.370 nan 0.000 0.446 458 L N 3.439 124.575 121.223 -0.146 0.000 2.294 458 L HA 0.413 4.757 4.340 0.007 0.000 0.283 458 L C -0.901 175.938 176.870 -0.051 0.000 1.015 458 L CA -0.574 53.955 54.840 -0.517 0.000 0.831 458 L CB 0.647 41.863 42.059 -1.405 0.000 1.217 458 L HN 0.287 nan 8.230 nan 0.000 0.420 459 N N 3.205 121.876 118.700 -0.048 0.000 2.513 459 N HA 0.280 5.025 4.740 0.007 0.000 0.274 459 N C -0.680 174.764 175.510 -0.110 0.000 1.189 459 N CA -0.364 52.694 53.050 0.012 0.000 0.975 459 N CB 2.185 40.682 38.487 0.017 0.000 1.157 459 N HN 0.401 nan 8.380 nan 0.000 0.465 460 V N -0.120 119.535 119.914 -0.433 0.000 2.617 460 V HA 0.741 4.865 4.120 0.007 0.000 0.298 460 V C 0.284 176.236 176.094 -0.238 0.000 1.048 460 V CA -0.372 61.528 62.300 -0.667 0.000 0.964 460 V CB 1.391 32.355 31.823 -1.432 0.000 1.004 460 V HN 0.727 nan 8.190 nan 0.000 0.466 461 G N 5.017 113.649 108.800 -0.280 0.000 2.530 461 G HA2 0.721 4.685 3.960 0.007 0.000 0.316 461 G HA3 0.721 4.685 3.960 0.007 0.000 0.316 461 G C -1.329 173.479 174.900 -0.154 0.000 1.298 461 G CA -0.542 44.281 45.100 -0.462 0.000 0.948 461 G HN 0.902 nan 8.290 nan 0.000 0.486 462 F N 0.270 120.057 119.950 -0.272 0.000 2.578 462 F HA 0.787 5.318 4.527 0.007 0.000 0.311 462 F C -0.482 175.060 175.800 -0.430 0.000 1.094 462 F CA -1.621 56.225 58.000 -0.256 0.000 0.923 462 F CB 1.985 40.801 39.000 -0.305 0.000 1.230 462 F HN 0.507 nan 8.300 nan 0.000 0.450 463 R N 4.131 124.325 120.500 -0.511 0.000 2.393 463 R HA 0.713 5.058 4.340 0.007 0.000 0.310 463 R C -1.626 174.482 176.300 -0.319 0.000 0.968 463 R CA -0.639 55.038 56.100 -0.704 0.000 0.867 463 R CB 1.279 30.834 30.300 -1.243 0.000 1.124 463 R HN 0.965 nan 8.270 nan 0.000 0.450 464 L N 2.479 123.560 121.223 -0.236 0.000 2.334 464 L HA 0.278 4.623 4.340 0.007 0.000 0.275 464 L C -0.035 176.767 176.870 -0.113 0.000 1.036 464 L CA -0.954 53.815 54.840 -0.119 0.000 0.807 464 L CB 1.461 43.491 42.059 -0.048 0.000 1.231 464 L HN 0.598 nan 8.230 nan 0.000 0.438 465 D N 1.686 122.040 120.400 -0.076 0.000 2.401 465 D HA 0.447 5.092 4.640 0.007 0.000 0.254 465 D C 0.280 176.557 176.300 -0.038 0.000 1.192 465 D CA 1.195 55.160 54.000 -0.058 0.000 0.885 465 D CB 0.676 41.452 40.800 -0.041 0.000 1.147 465 D HN 0.718 nan 8.370 nan 0.000 0.478 470 F N 1.881 121.697 119.950 -0.223 0.000 2.375 470 F HA 0.476 5.008 4.527 0.008 0.000 0.333 470 F C 0.959 176.378 175.800 -0.634 0.000 1.104 470 F CA -0.498 57.218 58.000 -0.473 0.000 1.149 470 F CB 0.965 39.584 39.000 -0.634 0.000 1.190 470 F HN -0.020 nan 8.300 nan 0.000 0.533 471 R N 3.460 123.522 120.500 -0.730 0.000 2.198 471 R HA 0.224 4.568 4.340 0.007 0.000 0.339 471 R C -1.650 174.140 176.300 -0.850 0.000 1.020 471 R CA -0.549 55.088 56.100 -0.772 0.000 0.864 471 R CB 0.236 29.868 30.300 -1.114 0.000 1.105 471 R HN 0.556 nan 8.270 nan 0.000 0.463 472 Y N 1.882 122.026 120.300 -0.261 0.000 2.335 472 Y HA 0.322 4.876 4.550 0.008 0.000 0.339 472 Y C 0.819 176.635 175.900 -0.139 0.000 0.987 472 Y CA -0.683 57.297 58.100 -0.199 0.000 1.140 472 Y CB 1.563 39.926 38.460 -0.162 0.000 1.173 472 Y HN 0.346 nan 8.280 nan 0.000 0.486 473 V N 0.817 120.751 119.914 0.033 0.000 3.102 473 V HA 0.709 4.834 4.120 0.007 0.000 0.312 473 V C -0.777 175.354 176.094 0.062 0.000 1.135 473 V CA -1.266 61.073 62.300 0.066 0.000 1.022 473 V CB 2.091 33.996 31.823 0.137 0.000 1.056 473 V HN 0.765 nan 8.190 nan 0.000 0.436 474 E N 2.149 122.357 120.200 0.013 0.000 2.283 474 E HA 0.667 5.021 4.350 0.007 0.000 0.271 474 E C 0.446 176.950 176.600 -0.160 0.000 1.031 474 E CA -0.349 55.973 56.400 -0.130 0.000 0.868 474 E CB 1.470 31.030 29.700 -0.234 0.000 1.094 474 E HN 1.214 nan 8.360 nan 0.000 0.401 475 G N 0.796 109.279 108.800 -0.529 0.000 2.732 475 G HA2 -0.095 3.869 3.960 0.007 0.000 0.244 475 G HA3 -0.095 3.869 3.960 0.007 0.000 0.244 475 G C 0.214 175.074 174.900 -0.066 0.000 1.226 475 G CA -0.031 44.917 45.100 -0.253 0.000 0.860 475 G HN 0.851 nan 8.290 nan 0.000 0.583 476 E N -1.078 119.289 120.200 0.279 0.000 2.175 476 E HA 0.071 4.425 4.350 0.007 0.000 0.195 476 E C 0.614 177.445 176.600 0.386 0.000 0.934 476 E CA 0.152 56.718 56.400 0.278 0.000 0.870 476 E CB 0.281 30.098 29.700 0.195 0.000 0.838 476 E HN 0.364 nan 8.360 nan 0.000 0.474 477 Q N 0.917 120.932 119.800 0.358 0.000 2.333 477 Q HA 0.277 4.622 4.340 0.007 0.000 0.268 477 Q C -1.323 174.679 176.000 0.003 0.000 1.007 477 Q CA -0.459 55.449 55.803 0.175 0.000 0.810 477 Q CB 1.491 30.280 28.738 0.084 0.000 1.264 477 Q HN -0.019 nan 8.270 nan 0.000 0.452 478 R N 2.511 122.849 120.500 -0.271 0.000 2.474 478 R HA 0.513 4.857 4.340 0.007 0.000 0.295 478 R C -1.011 175.035 176.300 -0.424 0.000 0.980 478 R CA -0.239 55.409 56.100 -0.753 0.000 0.934 478 R CB 1.180 30.853 30.300 -1.044 0.000 1.101 478 R HN 0.777 nan 8.270 nan 0.000 0.469 479 E N 1.782 121.719 120.200 -0.439 0.000 2.308 479 E HA 0.256 4.611 4.350 0.007 0.000 0.275 479 E C -1.590 174.859 176.600 -0.252 0.000 0.890 479 E CA -0.593 55.650 56.400 -0.262 0.000 0.754 479 E CB 2.123 31.722 29.700 -0.169 0.000 1.207 479 E HN 0.562 nan 8.360 nan 0.000 0.426 480 S N 3.649 119.249 115.700 -0.167 0.000 2.462 480 S HA 0.545 5.020 4.470 0.007 0.000 0.294 480 S C -0.310 174.270 174.600 -0.033 0.000 1.144 480 S CA -0.493 57.633 58.200 -0.122 0.000 1.088 480 S CB 0.449 63.584 63.200 -0.109 0.000 1.009 480 S HN 0.371 nan 8.310 nan 0.000 0.484 481 I N 3.147 123.742 120.570 0.042 0.000 2.503 481 I HA 0.300 4.475 4.170 0.007 0.000 0.282 481 I C -0.401 175.867 176.117 0.252 0.000 1.059 481 I CA -0.682 60.705 61.300 0.145 0.000 1.081 481 I CB 1.260 39.400 38.000 0.234 0.000 1.210 481 I HN 0.511 nan 8.210 nan 0.000 0.450 482 N N 4.925 123.725 118.700 0.167 0.000 2.710 482 N HA -0.226 4.519 4.740 0.007 0.000 0.249 482 N C 0.989 176.650 175.510 0.253 0.000 1.059 482 N CA 1.505 54.669 53.050 0.189 0.000 0.720 482 N CB -0.693 37.912 38.487 0.196 0.000 0.983 482 N HN 1.205 nan 8.380 nan 0.000 0.544 483 G N -3.043 105.833 108.800 0.127 0.000 2.194 483 G HA2 -0.288 3.677 3.960 0.007 0.000 0.236 483 G HA3 -0.288 3.677 3.960 0.007 0.000 0.236 483 G C -0.198 174.611 174.900 -0.152 0.000 0.987 483 G CA 0.156 45.241 45.100 -0.024 0.000 0.635 483 G HN 0.302 nan 8.290 nan 0.000 0.520 484 W N 0.985 122.228 121.300 -0.095 0.000 2.512 484 W HA 0.684 5.348 4.660 0.008 0.000 0.335 484 W C 0.347 176.643 176.519 -0.373 0.000 1.088 484 W CA -0.259 56.954 57.345 -0.220 0.000 1.236 484 W CB 1.393 30.747 29.460 -0.177 0.000 1.307 484 W HN 0.021 nan 8.180 nan 0.000 0.567 485 T N 2.657 116.961 114.554 -0.416 0.000 2.771 485 T HA 0.274 4.629 4.350 0.007 0.000 0.281 485 T C -0.818 173.569 174.700 -0.521 0.000 0.982 485 T CA -0.649 61.089 62.100 -0.604 0.000 0.978 485 T CB 1.085 69.374 68.868 -0.964 0.000 0.930 485 T HN 0.341 nan 8.240 nan 0.000 0.447 486 Q N 2.908 122.425 119.800 -0.471 0.000 2.357 486 Q HA 0.334 4.678 4.340 0.007 0.000 0.266 486 Q C -1.457 174.238 176.000 -0.508 0.000 1.021 486 Q CA -0.738 54.829 55.803 -0.394 0.000 0.784 486 Q CB 0.987 29.563 28.738 -0.271 0.000 1.243 486 Q HN 0.668 nan 8.270 nan 0.000 0.465 487 W N 2.136 123.090 121.300 -0.577 0.000 2.381 487 W HA 0.391 5.055 4.660 0.007 0.000 0.329 487 W C -0.085 176.088 176.519 -0.576 0.000 1.157 487 W CA -0.372 56.541 57.345 -0.720 0.000 1.240 487 W CB 1.931 30.515 29.460 -1.458 0.000 1.199 487 W HN 0.377 nan 8.180 nan 0.000 0.579 488 T N 4.059 118.626 114.554 0.022 0.000 2.812 488 T HA 0.428 4.783 4.350 0.007 0.000 0.282 488 T C -1.486 173.328 174.700 0.189 0.000 0.990 488 T CA -0.619 61.532 62.100 0.084 0.000 0.960 488 T CB 0.904 69.813 68.868 0.068 0.000 0.948 488 T HN 0.220 nan 8.240 nan 0.000 0.438 489 L N 6.423 127.805 121.223 0.265 0.000 2.353 489 L HA 0.531 4.875 4.340 0.007 0.000 0.270 489 L C -2.765 174.209 176.870 0.174 0.000 1.003 489 L CA -2.053 52.952 54.840 0.275 0.000 0.862 489 L CB 1.102 43.415 42.059 0.424 0.000 1.221 489 L HN 0.283 nan 8.230 nan 0.000 0.430 490 P HA 0.142 nan 4.420 nan 0.000 0.268 490 P C -0.039 177.322 177.300 0.103 0.000 1.205 490 P CA 0.247 63.407 63.100 0.100 0.000 0.771 490 P CB 0.643 32.398 31.700 0.090 0.000 0.858 491 L N 1.709 122.976 121.223 0.074 0.000 3.014 491 L HA 0.148 4.492 4.340 0.007 0.000 0.263 491 L C 0.790 177.750 176.870 0.151 0.000 1.207 491 L CA 0.138 55.047 54.840 0.113 0.000 1.017 491 L CB -0.081 41.942 42.059 -0.060 0.000 1.360 491 L HN 0.218 nan 8.230 nan 0.000 0.560 492 D N 1.554 122.005 120.400 0.084 0.000 2.149 492 D HA -0.215 4.429 4.640 0.007 0.000 0.198 492 D C 2.263 178.567 176.300 0.008 0.000 0.990 492 D CA 1.411 55.438 54.000 0.044 0.000 0.839 492 D CB 0.081 40.896 40.800 0.025 0.000 0.948 492 D HN 0.336 nan 8.370 nan 0.000 0.460 493 A N -0.660 122.133 122.820 -0.046 0.000 2.186 493 A HA -0.112 4.213 4.320 0.007 0.000 0.219 493 A C 1.153 178.488 177.584 -0.414 0.000 1.159 493 A CA 0.895 52.780 52.037 -0.254 0.000 0.680 493 A CB -0.616 18.151 19.000 -0.387 0.000 0.787 493 A HN 0.276 nan 8.150 nan 0.000 0.467 494 F N -1.022 118.922 119.950 -0.010 0.000 2.688 494 F HA 0.450 4.981 4.527 0.007 0.000 0.310 494 F C 1.268 177.055 175.800 -0.023 0.000 1.098 494 F CA -0.269 57.724 58.000 -0.012 0.000 1.228 494 F CB 0.131 39.113 39.000 -0.030 0.000 1.042 494 F HN 0.160 nan 8.300 nan 0.000 0.557 495 A N 0.501 123.382 122.820 0.101 0.000 2.567 495 A HA 0.364 4.689 4.320 0.007 0.000 0.240 495 A C 1.554 179.167 177.584 0.049 0.000 1.053 495 A CA 1.194 53.266 52.037 0.058 0.000 0.755 495 A CB -0.677 18.341 19.000 0.028 0.000 0.978 495 A HN 1.046 nan 8.150 nan 0.000 0.507 496 G N 0.909 109.733 108.800 0.040 0.000 2.213 496 G HA2 -0.183 3.781 3.960 0.007 0.000 0.236 496 G HA3 -0.183 3.781 3.960 0.007 0.000 0.236 496 G C 0.293 175.216 174.900 0.038 0.000 0.991 496 G CA 0.360 45.478 45.100 0.031 0.000 0.629 496 G HN 0.875 nan 8.290 nan 0.000 0.517 497 Q N 0.324 120.162 119.800 0.063 0.000 2.249 497 Q HA 0.623 4.968 4.340 0.007 0.000 0.226 497 Q C -0.549 175.461 176.000 0.016 0.000 0.983 497 Q CA 0.216 56.056 55.803 0.062 0.000 0.930 497 Q CB 1.250 30.070 28.738 0.137 0.000 1.193 497 Q HN 0.204 nan 8.270 nan 0.000 0.508 498 T N 1.113 115.664 114.554 -0.006 0.000 2.840 498 T HA 0.477 4.831 4.350 0.007 0.000 0.287 498 T C 0.119 174.779 174.700 -0.066 0.000 0.991 498 T CA -0.497 61.580 62.100 -0.038 0.000 0.964 498 T CB 0.562 69.409 68.868 -0.035 0.000 0.954 498 T HN 0.309 nan 8.240 nan 0.000 0.438 499 I N 3.371 123.885 120.570 -0.093 0.000 2.471 499 I HA 0.173 4.348 4.170 0.007 0.000 0.286 499 I C 1.589 177.636 176.117 -0.116 0.000 1.079 499 I CA -0.001 61.232 61.300 -0.111 0.000 1.398 499 I CB 1.127 39.047 38.000 -0.134 0.000 1.403 499 I HN 0.775 nan 8.210 nan 0.000 0.530 500 T N 0.798 115.274 114.554 -0.129 0.000 3.040 500 T HA 0.429 4.784 4.350 0.007 0.000 0.266 500 T C 0.339 174.986 174.700 -0.089 0.000 1.005 500 T CA -0.254 61.780 62.100 -0.110 0.000 0.906 500 T CB 0.375 69.184 68.868 -0.098 0.000 1.082 500 T HN 0.778 nan 8.240 nan 0.000 0.531 501 G N 0.718 109.451 108.800 -0.111 0.000 2.702 501 G HA2 0.577 4.541 3.960 0.007 0.000 0.296 501 G HA3 0.577 4.541 3.960 0.007 0.000 0.296 501 G C -1.965 173.033 174.900 0.164 0.000 1.463 501 G CA -0.883 44.244 45.100 0.045 0.000 0.890 501 G HN 0.312 nan 8.290 nan 0.000 0.534 502 L N 0.533 121.948 121.223 0.320 0.000 2.354 502 L HA 0.942 5.286 4.340 0.007 0.000 0.269 502 L C 0.309 177.257 176.870 0.129 0.000 1.005 502 L CA -0.900 54.053 54.840 0.189 0.000 0.819 502 L CB 2.181 44.275 42.059 0.058 0.000 1.311 502 L HN 0.948 nan 8.230 nan 0.000 0.423 503 A N 1.362 124.054 122.820 -0.213 0.000 2.581 503 A HA 0.873 5.198 4.320 0.007 0.000 0.290 503 A C -1.983 175.216 177.584 -0.642 0.000 1.119 503 A CA -0.395 51.392 52.037 -0.416 0.000 0.670 503 A CB 1.472 20.141 19.000 -0.551 0.000 1.280 503 A HN 0.398 nan 8.150 nan 0.000 0.425 504 F N -0.870 118.958 119.950 -0.203 0.000 2.620 504 F HA 0.877 5.408 4.527 0.008 0.000 0.320 504 F C 0.486 176.142 175.800 -0.240 0.000 1.069 504 F CA -0.084 57.754 58.000 -0.270 0.000 0.953 504 F CB 2.505 41.246 39.000 -0.431 0.000 1.322 504 F HN 1.057 nan 8.300 nan 0.000 0.479 505 A N 0.709 123.551 122.820 0.036 0.000 2.574 505 A HA 0.952 5.276 4.320 0.007 0.000 0.297 505 A C -1.786 175.780 177.584 -0.031 0.000 1.062 505 A CA -0.337 51.637 52.037 -0.104 0.000 0.686 505 A CB 1.466 20.088 19.000 -0.631 0.000 1.285 505 A HN 1.311 nan 8.150 nan 0.000 0.403 506 A N 0.674 123.495 122.820 0.001 0.000 2.515 506 A HA 0.848 5.173 4.320 0.007 0.000 0.296 506 A C -0.826 176.795 177.584 0.062 0.000 1.094 506 A CA -0.386 51.644 52.037 -0.013 0.000 0.718 506 A CB 1.448 20.403 19.000 -0.074 0.000 1.307 506 A HN 0.930 nan 8.150 nan 0.000 0.408 507 E N 0.599 120.863 120.200 0.106 0.000 2.187 507 E HA 0.533 4.887 4.350 0.007 0.000 0.268 507 E C 0.291 176.901 176.600 0.016 0.000 0.896 507 E CA -0.568 55.889 56.400 0.095 0.000 0.766 507 E CB 1.556 31.343 29.700 0.145 0.000 1.142 507 E HN 0.969 nan 8.360 nan 0.000 0.408 508 G N 2.970 111.732 108.800 -0.063 0.000 2.527 508 G HA2 0.187 4.151 3.960 0.007 0.000 0.248 508 G HA3 0.187 4.151 3.960 0.007 0.000 0.248 508 G C -0.227 174.631 174.900 -0.070 0.000 1.231 508 G CA -0.325 44.722 45.100 -0.088 0.000 0.838 508 G HN 0.700 nan 8.290 nan 0.000 0.570 509 N N -1.369 117.288 118.700 -0.072 0.000 3.100 509 N HA 0.176 4.920 4.740 0.007 0.000 0.344 509 N C 0.975 176.440 175.510 -0.075 0.000 1.413 509 N CA -0.534 52.483 53.050 -0.055 0.000 0.752 509 N CB 0.786 39.258 38.487 -0.024 0.000 1.519 509 N HN 0.497 nan 8.380 nan 0.000 0.620 510 E N -0.756 119.409 120.200 -0.058 0.000 2.160 510 E HA -0.210 4.145 4.350 0.007 0.000 0.195 510 E C 0.776 177.324 176.600 -0.086 0.000 0.991 510 E CA 1.670 58.033 56.400 -0.062 0.000 0.810 510 E CB -0.307 29.368 29.700 -0.042 0.000 0.742 510 E HN 0.627 nan 8.360 nan 0.000 0.466 511 T N -0.587 113.905 114.554 -0.103 0.000 2.737 511 T HA -0.160 4.195 4.350 0.007 0.000 0.269 511 T C 1.419 175.994 174.700 -0.209 0.000 1.040 511 T CA 1.681 63.682 62.100 -0.164 0.000 1.142 511 T CB -0.615 68.124 68.868 -0.216 0.000 0.861 511 T HN 0.612 nan 8.240 nan 0.000 0.456 512 G N -0.060 108.626 108.800 -0.190 0.000 2.184 512 G HA2 -0.218 3.747 3.960 0.007 0.000 0.264 512 G HA3 -0.218 3.747 3.960 0.007 0.000 0.264 512 G C -0.096 174.655 174.900 -0.249 0.000 0.975 512 G CA 0.196 45.183 45.100 -0.188 0.000 0.642 512 G HN 0.451 nan 8.290 nan 0.000 0.536 513 L N 0.489 121.486 121.223 -0.378 0.000 2.334 513 L HA 0.928 5.273 4.340 0.007 0.000 0.273 513 L C 0.396 177.038 176.870 -0.381 0.000 1.013 513 L CA -0.677 53.879 54.840 -0.474 0.000 0.816 513 L CB 1.723 43.245 42.059 -0.896 0.000 1.278 513 L HN 0.713 nan 8.230 nan 0.000 0.431 514 A N 1.981 124.649 122.820 -0.253 0.000 2.393 514 A HA 0.775 5.100 4.320 0.007 0.000 0.306 514 A C -0.849 176.594 177.584 -0.235 0.000 1.050 514 A CA -0.419 51.444 52.037 -0.290 0.000 0.724 514 A CB 1.348 20.135 19.000 -0.356 0.000 1.248 514 A HN 0.692 nan 8.150 nan 0.000 0.424 515 E N 2.240 122.196 120.200 -0.406 0.000 2.528 515 E HA 0.491 4.845 4.350 0.007 0.000 0.277 515 E C -1.945 174.339 176.600 -0.527 0.000 0.980 515 E CA -0.179 56.012 56.400 -0.348 0.000 0.796 515 E CB 0.638 30.212 29.700 -0.210 0.000 1.427 515 E HN 0.499 nan 8.360 nan 0.000 0.394 516 F N 2.458 122.253 119.950 -0.258 0.000 2.425 516 F HA 0.487 5.018 4.527 0.008 0.000 0.331 516 F C -0.504 175.050 175.800 -0.410 0.000 1.085 516 F CA -0.519 57.378 58.000 -0.170 0.000 1.028 516 F CB 1.072 40.043 39.000 -0.048 0.000 1.177 516 F HN 0.315 nan 8.300 nan 0.000 0.487 517 Y N 0.271 120.676 120.300 0.175 0.000 2.350 517 Y HA 0.447 5.002 4.550 0.007 0.000 0.338 517 Y C 0.108 176.176 175.900 0.280 0.000 0.961 517 Y CA -0.978 57.193 58.100 0.118 0.000 1.100 517 Y CB 2.219 40.688 38.460 0.016 0.000 1.179 517 Y HN 0.504 nan 8.280 nan 0.000 0.454 518 T N 1.113 115.849 114.554 0.302 0.000 2.786 518 T HA 0.555 4.910 4.350 0.007 0.000 0.283 518 T C 0.614 175.520 174.700 0.343 0.000 0.992 518 T CA -0.202 62.075 62.100 0.294 0.000 0.954 518 T CB 0.788 69.581 68.868 -0.125 0.000 0.934 518 T HN 0.878 nan 8.240 nan 0.000 0.440 519 G N 3.099 112.192 108.800 0.488 0.000 3.079 519 G HA2 0.382 4.346 3.960 0.007 0.000 0.233 519 G HA3 0.382 4.346 3.960 0.007 0.000 0.233 519 G C 0.066 175.172 174.900 0.344 0.000 1.062 519 G CA -0.071 45.233 45.100 0.340 0.000 0.809 519 G HN 0.853 nan 8.290 nan 0.000 0.535 520 Q N -0.698 119.288 119.800 0.310 0.000 2.438 520 Q HA 0.664 5.009 4.340 0.007 0.000 0.272 520 Q C -2.258 173.859 176.000 0.195 0.000 0.994 520 Q CA -0.891 54.906 55.803 -0.010 0.000 0.887 520 Q CB 1.936 30.574 28.738 -0.167 0.000 1.432 520 Q HN 0.176 nan 8.270 nan 0.000 0.392 521 L N 1.917 123.111 121.223 -0.049 0.000 2.482 521 L HA 1.044 5.388 4.340 0.007 0.000 0.263 521 L C -2.013 174.747 176.870 -0.182 0.000 0.957 521 L CA 0.071 54.979 54.840 0.113 0.000 0.836 521 L CB 2.299 44.517 42.059 0.266 0.000 1.324 521 L HN 1.073 nan 8.230 nan 0.000 0.406 522 A N 3.639 126.437 122.820 -0.037 0.000 2.594 522 A HA 0.766 5.091 4.320 0.007 0.000 0.296 522 A C -1.986 175.604 177.584 0.010 0.000 1.061 522 A CA -0.509 51.456 52.037 -0.121 0.000 0.689 522 A CB 1.806 20.704 19.000 -0.171 0.000 1.280 522 A HN 0.654 nan 8.150 nan 0.000 0.406 523 V N 1.511 121.434 119.914 0.014 0.000 2.378 523 V HA 0.876 5.000 4.120 0.007 0.000 0.288 523 V C 0.605 176.709 176.094 0.017 0.000 1.016 523 V CA 0.639 62.953 62.300 0.024 0.000 0.840 523 V CB 0.816 32.652 31.823 0.022 0.000 0.994 523 V HN 2.079 nan 8.190 nan 0.000 0.431 531 A N 1.037 123.832 122.820 -0.042 0.000 2.407 531 A HA 0.638 4.963 4.320 0.007 0.000 0.248 531 A C 0.687 178.249 177.584 -0.035 0.000 1.082 531 A CA 0.169 52.189 52.037 -0.029 0.000 0.785 531 A CB -0.076 18.918 19.000 -0.010 0.000 1.020 531 A HN 0.870 nan 8.150 nan 0.000 0.489 532 A N 3.570 126.372 122.820 -0.030 0.000 2.567 532 A HA 0.445 4.769 4.320 0.007 0.000 0.240 532 A C -2.144 175.431 177.584 -0.015 0.000 1.053 532 A CA -0.600 51.419 52.037 -0.030 0.000 0.755 532 A CB -0.834 18.154 19.000 -0.021 0.000 0.978 532 A HN 0.628 nan 8.150 nan 0.000 0.507 533 P HA 0.054 nan 4.420 nan 0.000 0.268 533 P C -0.398 176.912 177.300 0.016 0.000 1.204 533 P CA -0.160 62.938 63.100 -0.003 0.000 0.768 533 P CB 0.374 32.012 31.700 -0.104 0.000 0.842 534 N N 3.147 121.880 118.700 0.054 0.000 2.439 534 N HA 0.165 4.909 4.740 0.007 0.000 0.243 534 N C -1.291 174.275 175.510 0.093 0.000 1.088 534 N CA -0.032 53.052 53.050 0.057 0.000 0.940 534 N CB -0.102 38.416 38.487 0.050 0.000 1.180 534 N HN -0.015 nan 8.380 nan 0.000 0.505 535 V N 3.979 123.941 119.914 0.079 0.000 2.459 535 V HA 0.433 4.558 4.120 0.007 0.000 0.295 535 V C -0.129 176.006 176.094 0.069 0.000 1.029 535 V CA -0.967 61.405 62.300 0.120 0.000 0.874 535 V CB 1.468 33.366 31.823 0.125 0.000 0.985 535 V HN 0.585 nan 8.190 nan 0.000 0.438 536 N N 2.599 121.333 118.700 0.056 0.000 2.361 536 N HA 0.497 5.241 4.740 0.007 0.000 0.302 536 N C -0.828 174.695 175.510 0.022 0.000 1.074 536 N CA -0.426 52.639 53.050 0.025 0.000 0.850 536 N CB 2.522 41.012 38.487 0.005 0.000 1.228 536 N HN 0.359 nan 8.380 nan 0.000 0.491 537 V N 3.421 123.347 119.914 0.021 0.000 2.408 537 V HA 0.335 4.459 4.120 0.007 0.000 0.267 537 V C 0.434 176.543 176.094 0.026 0.000 1.047 537 V CA -0.374 61.940 62.300 0.025 0.000 0.937 537 V CB 0.181 32.016 31.823 0.020 0.000 0.999 537 V HN 0.431 nan 8.190 nan 0.000 0.472 538 R N 3.075 123.597 120.500 0.038 0.000 2.873 538 R HA 0.493 4.837 4.340 0.007 0.000 0.264 538 R C -0.367 175.990 176.300 0.095 0.000 1.026 538 R CA -0.986 55.145 56.100 0.052 0.000 1.002 538 R CB 1.053 31.377 30.300 0.040 0.000 1.174 538 R HN 0.590 nan 8.270 nan 0.000 0.488 539 Q N 1.206 121.062 119.800 0.093 0.000 2.337 539 Q HA 0.000 4.345 4.340 0.007 0.000 0.270 539 Q C -0.786 175.343 176.000 0.216 0.000 1.002 539 Q CA 0.412 56.287 55.803 0.119 0.000 0.888 539 Q CB 0.494 29.272 28.738 0.066 0.000 1.222 539 Q HN 0.412 nan 8.270 nan 0.000 0.400 540 Y N 4.148 124.523 120.300 0.125 0.000 2.595 540 Y HA 0.075 4.630 4.550 0.007 0.000 0.336 540 Y C 0.460 176.411 175.900 0.084 0.000 0.996 540 Y CA -0.754 57.436 58.100 0.151 0.000 1.260 540 Y CB 0.147 38.744 38.460 0.229 0.000 1.108 540 Y HN 0.612 nan 8.280 nan 0.000 0.509 541 D N 5.650 125.915 120.400 -0.225 0.000 2.154 541 D HA -0.210 4.435 4.640 0.007 0.000 0.190 541 D C -0.570 175.516 176.300 -0.357 0.000 1.003 541 D CA 2.014 55.877 54.000 -0.229 0.000 0.849 541 D CB -1.234 39.476 40.800 -0.150 0.000 0.942 541 D HN 0.495 nan 8.370 nan 0.000 0.446 542 P HA -0.025 nan 4.420 nan 0.000 0.225 542 P C -0.244 176.860 177.300 -0.328 0.000 1.148 542 P CA 1.064 63.864 63.100 -0.500 0.000 0.779 542 P CB 0.197 31.513 31.700 -0.640 0.000 0.780 543 D N -0.976 119.247 120.400 -0.295 0.000 2.378 543 D HA 0.232 4.877 4.640 0.007 0.000 0.265 543 D C -2.740 173.600 176.300 0.067 0.000 1.229 543 D CA -2.887 51.117 54.000 0.007 0.000 0.914 543 D CB 0.674 41.621 40.800 0.246 0.000 1.140 543 D HN -0.091 nan 8.370 nan 0.000 0.516 544 P HA 0.099 nan 4.420 nan 0.000 0.270 544 P C 0.550 177.882 177.300 0.053 0.000 1.223 544 P CA 0.323 63.442 63.100 0.033 0.000 0.785 544 P CB 0.772 32.477 31.700 0.009 0.000 0.923 545 S N -1.806 113.922 115.700 0.047 0.000 2.769 545 S HA -0.133 4.341 4.470 0.007 0.000 0.264 545 S C 0.578 175.204 174.600 0.043 0.000 1.288 545 S CA 1.063 59.285 58.200 0.038 0.000 1.378 545 S CB -2.502 60.717 63.200 0.032 0.000 1.702 545 S HN 0.899 nan 8.310 nan 0.000 0.656 546 G N 0.879 109.736 108.800 0.094 0.000 2.537 546 G HA2 0.822 4.786 3.960 0.007 0.000 0.323 546 G HA3 0.822 4.786 3.960 0.007 0.000 0.323 546 G C -0.395 174.568 174.900 0.104 0.000 1.207 546 G CA -0.700 44.444 45.100 0.074 0.000 0.976 546 G HN 1.508 nan 8.290 nan 0.000 0.487 547 I N -2.784 117.799 120.570 0.021 0.000 3.195 547 I HA 0.727 4.902 4.170 0.007 0.000 0.313 547 I C -1.333 174.848 176.117 0.107 0.000 1.237 547 I CA -1.381 59.974 61.300 0.092 0.000 0.963 547 I CB 2.495 40.512 38.000 0.029 0.000 1.278 547 I HN 0.627 nan 8.210 nan 0.000 0.460 548 Q N 3.150 123.049 119.800 0.166 0.000 2.337 548 Q HA 0.596 4.941 4.340 0.007 0.000 0.270 548 Q C -1.874 174.164 176.000 0.063 0.000 1.043 548 Q CA -1.030 54.875 55.803 0.170 0.000 0.794 548 Q CB 2.652 31.599 28.738 0.348 0.000 1.281 548 Q HN 0.510 nan 8.270 nan 0.000 0.446 549 L N 2.810 124.051 121.223 0.030 0.000 2.305 549 L HA 0.538 4.883 4.340 0.007 0.000 0.281 549 L C -0.432 176.292 176.870 -0.243 0.000 1.085 549 L CA -0.670 54.182 54.840 0.020 0.000 0.813 549 L CB 1.249 43.435 42.059 0.211 0.000 1.157 549 L HN 0.618 nan 8.230 nan 0.000 0.436 550 V N 3.367 123.148 119.914 -0.222 0.000 2.531 550 V HA 0.537 4.662 4.120 0.007 0.000 0.301 550 V C -0.578 175.370 176.094 -0.243 0.000 1.034 550 V CA -0.652 61.366 62.300 -0.470 0.000 0.865 550 V CB 1.732 33.371 31.823 -0.307 0.000 0.995 550 V HN 0.899 nan 8.190 nan 0.000 0.424 551 W N 2.103 123.266 121.300 -0.227 0.000 2.967 551 W HA 0.845 5.510 4.660 0.007 0.000 0.342 551 W C -0.253 176.153 176.519 -0.188 0.000 1.162 551 W CA -1.017 56.195 57.345 -0.222 0.000 1.085 551 W CB 0.531 29.782 29.460 -0.349 0.000 1.460 551 W HN 0.437 nan 8.180 nan 0.000 0.584 557 V N 2.713 122.600 119.914 -0.046 0.000 2.459 557 V HA 0.264 4.389 4.120 0.007 0.000 0.295 557 V C 1.146 177.182 176.094 -0.097 0.000 1.029 557 V CA -0.530 61.674 62.300 -0.160 0.000 0.874 557 V CB 2.153 33.775 31.823 -0.335 0.000 0.985 557 V HN 0.361 nan 8.190 nan 0.000 0.438 558 H N 5.014 123.963 119.070 -0.203 0.000 2.343 558 H HA 0.090 4.650 4.556 0.007 0.000 0.303 558 H C 0.396 175.710 175.328 -0.024 0.000 1.068 558 H CA 1.726 57.741 56.048 -0.056 0.000 1.359 558 H CB 0.544 30.325 29.762 0.031 0.000 1.402 558 H HN 0.842 nan 8.280 nan 0.000 0.515 559 H N -3.276 115.632 119.070 -0.270 0.000 2.950 559 H HA 0.155 4.716 4.556 0.007 0.000 0.307 559 H C -1.943 173.093 175.328 -0.486 0.000 1.403 559 H CA -0.846 55.050 56.048 -0.254 0.000 1.145 559 H CB 0.278 29.981 29.762 -0.098 0.000 1.844 559 H HN 0.021 nan 8.280 nan 0.000 0.515 560 Y N 0.408 120.587 120.300 -0.202 0.000 2.409 560 Y HA 0.583 5.137 4.550 0.007 0.000 0.339 560 Y C 0.446 176.199 175.900 -0.245 0.000 1.033 560 Y CA -0.892 56.965 58.100 -0.407 0.000 1.094 560 Y CB 1.997 40.009 38.460 -0.747 0.000 1.210 560 Y HN 0.294 nan 8.280 nan 0.000 0.456 561 R N 1.708 122.099 120.500 -0.182 0.000 2.494 561 R HA 0.652 4.997 4.340 0.007 0.000 0.305 561 R C -1.639 174.518 176.300 -0.239 0.000 0.959 561 R CA -0.995 54.953 56.100 -0.253 0.000 0.864 561 R CB 2.057 32.175 30.300 -0.304 0.000 1.159 561 R HN 0.385 nan 8.270 nan 0.000 0.446 562 V N 4.500 124.238 119.914 -0.293 0.000 2.328 562 V HA 0.313 4.437 4.120 0.007 0.000 0.278 562 V C -0.809 175.117 176.094 -0.281 0.000 1.021 562 V CA -0.758 61.441 62.300 -0.169 0.000 0.838 562 V CB 0.542 32.323 31.823 -0.071 0.000 0.999 562 V HN 0.595 nan 8.190 nan 0.000 0.447 563 Y N 3.672 123.952 120.300 -0.034 0.000 2.387 563 Y HA 0.590 5.145 4.550 0.007 0.000 0.330 563 Y C 0.458 176.379 175.900 0.035 0.000 1.133 563 Y CA -0.662 57.427 58.100 -0.018 0.000 1.152 563 Y CB 1.617 40.063 38.460 -0.023 0.000 1.215 563 Y HN 0.607 nan 8.280 nan 0.000 0.466 564 K N 1.344 121.853 120.400 0.182 0.000 2.316 564 K HA 0.477 4.802 4.320 0.007 0.000 0.251 564 K C -1.215 175.467 176.600 0.138 0.000 0.934 564 K CA -0.809 55.561 56.287 0.139 0.000 0.802 564 K CB 1.564 34.103 32.500 0.064 0.000 1.171 564 K HN 0.605 nan 8.250 nan 0.000 0.426 565 E N 1.837 122.115 120.200 0.130 0.000 2.360 565 E HA 0.098 4.452 4.350 0.007 0.000 0.269 565 E C -0.391 176.240 176.600 0.050 0.000 1.022 565 E CA -0.080 56.370 56.400 0.084 0.000 0.887 565 E CB 1.231 30.985 29.700 0.091 0.000 0.990 565 E HN 0.782 nan 8.360 nan 0.000 0.426 566 T N -0.914 113.660 114.554 0.033 0.000 2.838 566 T HA 0.286 4.641 4.350 0.007 0.000 0.292 566 T C 0.603 175.280 174.700 -0.039 0.000 1.113 566 T CA -1.060 61.050 62.100 0.017 0.000 1.008 566 T CB 1.340 70.245 68.868 0.063 0.000 1.259 566 T HN 0.295 nan 8.240 nan 0.000 0.520 567 K N -0.354 119.972 120.400 -0.124 0.000 2.442 567 K HA -0.051 4.274 4.320 0.007 0.000 0.198 567 K C 0.697 177.078 176.600 -0.364 0.000 1.044 567 K CA 0.897 57.026 56.287 -0.264 0.000 0.948 567 K CB -0.169 32.109 32.500 -0.371 0.000 0.762 567 K HN 0.533 nan 8.250 nan 0.000 0.472 568 H N -0.241 118.832 119.070 0.004 0.000 2.469 568 H HA 0.237 4.797 4.556 0.007 0.000 0.286 568 H C 0.807 176.134 175.328 -0.002 0.000 1.106 568 H CA 0.478 56.528 56.048 0.002 0.000 1.055 568 H CB 0.430 30.197 29.762 0.008 0.000 1.618 568 H HN 0.325 nan 8.280 nan 0.000 0.559 569 G N 1.884 110.715 108.800 0.052 0.000 2.610 569 G HA2 -0.219 3.745 3.960 0.007 0.000 0.304 569 G HA3 -0.219 3.745 3.960 0.007 0.000 0.304 569 G C -0.424 174.486 174.900 0.016 0.000 1.309 569 G CA -0.657 44.453 45.100 0.016 0.000 0.906 569 G HN 0.382 nan 8.290 nan 0.000 0.521 570 K N 0.057 120.439 120.400 -0.030 0.000 2.322 570 K HA 0.604 4.929 4.320 0.007 0.000 0.283 570 K C -0.160 176.512 176.600 0.120 0.000 1.042 570 K CA -0.160 56.121 56.287 -0.011 0.000 0.958 570 K CB 1.872 34.237 32.500 -0.226 0.000 0.984 570 K HN 0.669 nan 8.250 nan 0.000 0.473 571 E N 3.724 124.042 120.200 0.197 0.000 2.210 571 E HA 0.160 4.515 4.350 0.007 0.000 0.266 571 E C -1.313 175.371 176.600 0.140 0.000 0.883 571 E CA -1.208 55.295 56.400 0.171 0.000 0.761 571 E CB 1.305 31.058 29.700 0.088 0.000 1.156 571 E HN 0.577 nan 8.360 nan 0.000 0.412 572 L N 6.375 127.571 121.223 -0.045 0.000 2.418 572 L HA 0.158 4.503 4.340 0.007 0.000 0.274 572 L C 0.495 177.183 176.870 -0.303 0.000 1.135 572 L CA 0.762 55.307 54.840 -0.490 0.000 0.870 572 L CB 0.456 42.115 42.059 -0.666 0.000 1.154 572 L HN 0.682 nan 8.230 nan 0.000 0.462 573 I N 1.332 121.729 120.570 -0.288 0.000 4.327 573 I HA 0.621 4.795 4.170 0.007 0.000 0.331 573 I C 0.553 176.571 176.117 -0.165 0.000 1.348 573 I CA -0.006 61.195 61.300 -0.164 0.000 1.152 573 I CB 0.422 38.371 38.000 -0.085 0.000 1.151 573 I HN 0.594 nan 8.210 nan 0.000 0.410 574 G N 1.235 109.885 108.800 -0.250 0.000 2.732 574 G HA2 0.557 4.521 3.960 0.007 0.000 0.296 574 G HA3 0.557 4.521 3.960 0.007 0.000 0.296 574 G C -1.095 173.665 174.900 -0.233 0.000 1.448 574 G CA -0.096 44.902 45.100 -0.170 0.000 0.911 574 G HN 0.176 nan 8.290 nan 0.000 0.528 575 T N -2.050 112.419 114.554 -0.142 0.000 2.909 575 T HA 0.823 5.177 4.350 0.007 0.000 0.299 575 T C -0.647 174.107 174.700 0.089 0.000 1.073 575 T CA -0.819 61.231 62.100 -0.083 0.000 0.999 575 T CB 2.036 70.774 68.868 -0.216 0.000 1.098 575 T HN 1.453 nan 8.240 nan 0.000 0.477 576 S N 0.032 115.860 115.700 0.212 0.000 2.546 576 S HA 0.663 5.137 4.470 0.007 0.000 0.272 576 S C 0.153 174.964 174.600 0.351 0.000 1.140 576 S CA -0.203 58.173 58.200 0.294 0.000 0.920 576 S CB 1.310 64.769 63.200 0.432 0.000 1.083 576 S HN 1.367 nan 8.310 nan 0.000 0.476 577 A N 3.147 126.112 122.820 0.241 0.000 2.430 577 A HA 0.650 4.974 4.320 0.007 0.000 0.243 577 A C 0.936 178.634 177.584 0.189 0.000 1.254 577 A CA 0.435 52.589 52.037 0.194 0.000 0.914 577 A CB -0.494 18.538 19.000 0.055 0.000 0.998 577 A HN 0.978 nan 8.150 nan 0.000 0.515 578 G N -0.130 108.766 108.800 0.161 0.000 2.940 578 G HA2 0.405 4.370 3.960 0.007 0.000 0.164 578 G HA3 0.405 4.370 3.960 0.007 0.000 0.164 578 G C 0.165 174.886 174.900 -0.298 0.000 1.326 578 G CA 0.533 45.531 45.100 -0.170 0.000 1.020 578 G HN 0.215 nan 8.290 nan 0.000 0.586 579 D N -1.580 118.394 120.400 -0.710 0.000 2.395 579 D HA 0.152 4.797 4.640 0.007 0.000 0.213 579 D C 0.733 175.989 176.300 -1.740 0.000 1.110 579 D CA -0.247 53.159 54.000 -0.990 0.000 0.835 579 D CB 0.228 40.626 40.800 -0.671 0.000 0.965 579 D HN 0.576 nan 8.370 nan 0.000 0.505 580 R N -1.153 118.545 120.500 -1.337 0.000 2.733 580 R HA 0.726 5.070 4.340 0.007 0.000 0.272 580 R C -1.581 174.400 176.300 -0.531 0.000 1.029 580 R CA -1.058 54.276 56.100 -1.277 0.000 0.888 580 R CB 1.307 31.090 30.300 -0.862 0.000 1.251 580 R HN 0.027 nan 8.270 nan 0.000 0.464 581 I N 0.632 121.090 120.570 -0.187 0.000 2.775 581 I HA 0.388 4.563 4.170 0.007 0.000 0.295 581 I C -1.732 174.544 176.117 0.265 0.000 1.287 581 I CA -1.127 60.288 61.300 0.191 0.000 1.029 581 I CB 2.451 40.598 38.000 0.245 0.000 1.282 581 I HN 0.795 nan 8.210 nan 0.000 0.426 582 Y N 8.166 128.532 120.300 0.111 0.000 2.326 582 Y HA 0.636 5.190 4.550 0.007 0.000 0.337 582 Y C -1.196 174.684 175.900 -0.034 0.000 1.023 582 Y CA -0.560 57.494 58.100 -0.076 0.000 1.143 582 Y CB 0.842 39.002 38.460 -0.499 0.000 1.183 582 Y HN 0.259 nan 8.280 nan 0.000 0.485 583 I N 6.011 126.174 120.570 -0.678 0.000 2.433 583 I HA 0.266 4.440 4.170 0.007 0.000 0.292 583 I C -0.390 175.214 176.117 -0.855 0.000 1.001 583 I CA -0.871 60.071 61.300 -0.597 0.000 1.119 583 I CB 1.748 39.602 38.000 -0.242 0.000 1.289 583 I HN 0.708 nan 8.210 nan 0.000 0.438 584 E N 3.362 123.180 120.200 -0.638 0.000 2.338 584 E HA 0.325 4.680 4.350 0.007 0.000 0.272 584 E C 0.736 177.248 176.600 -0.146 0.000 1.029 584 E CA 0.072 56.275 56.400 -0.328 0.000 0.872 584 E CB 0.831 30.499 29.700 -0.053 0.000 1.015 584 E HN 0.899 nan 8.360 nan 0.000 0.417 585 G N 2.908 111.661 108.800 -0.078 0.000 2.366 585 G HA2 -0.265 3.700 3.960 0.007 0.000 0.299 585 G HA3 -0.265 3.700 3.960 0.007 0.000 0.299 585 G C -0.285 174.596 174.900 -0.032 0.000 1.020 585 G CA 0.142 45.225 45.100 -0.029 0.000 1.026 585 G HN 0.248 nan 8.290 nan 0.000 0.512 596 R N 4.211 124.711 120.500 -0.001 0.000 2.294 596 R HA 0.812 5.157 4.340 0.007 0.000 0.319 596 R C -0.960 175.326 176.300 -0.023 0.000 0.984 596 R CA -0.534 55.548 56.100 -0.029 0.000 0.861 596 R CB 2.024 32.321 30.300 -0.006 0.000 1.104 596 R HN 0.526 nan 8.270 nan 0.000 0.451 597 L N 2.659 123.817 121.223 -0.109 0.000 2.322 597 L HA 0.516 4.860 4.340 0.007 0.000 0.269 597 L C -0.133 176.588 176.870 -0.249 0.000 1.012 597 L CA -0.897 53.906 54.840 -0.062 0.000 0.815 597 L CB 1.806 43.847 42.059 -0.030 0.000 1.295 597 L HN 0.492 nan 8.230 nan 0.000 0.438 598 H N 2.569 121.667 119.070 0.048 0.000 2.823 598 H HA 0.398 4.958 4.556 0.007 0.000 0.332 598 H C -1.213 174.148 175.328 0.054 0.000 0.980 598 H CA -0.555 55.517 56.048 0.041 0.000 1.286 598 H CB 2.303 32.083 29.762 0.029 0.000 1.541 598 H HN 0.268 nan 8.280 nan 0.000 0.521 599 I N 3.654 124.265 120.570 0.068 0.000 2.339 599 I HA 0.100 4.275 4.170 0.007 0.000 0.290 599 I C 0.397 176.494 176.117 -0.033 0.000 0.994 599 I CA -0.332 60.958 61.300 -0.017 0.000 1.191 599 I CB 1.373 39.308 38.000 -0.107 0.000 1.343 599 I HN 0.539 nan 8.210 nan 0.000 0.458 600 E N 5.732 125.898 120.200 -0.056 0.000 2.227 600 E HA 0.877 5.232 4.350 0.007 0.000 0.268 600 E C -1.332 175.114 176.600 -0.256 0.000 0.907 600 E CA -1.297 55.034 56.400 -0.115 0.000 0.786 600 E CB 2.133 31.785 29.700 -0.081 0.000 1.191 600 E HN 0.529 nan 8.360 nan 0.000 0.411 601 A N 3.091 125.713 122.820 -0.330 0.000 2.305 601 A HA 0.532 4.857 4.320 0.007 0.000 0.322 601 A C -1.014 176.236 177.584 -0.557 0.000 1.187 601 A CA -0.756 50.893 52.037 -0.647 0.000 0.825 601 A CB 0.451 19.094 19.000 -0.594 0.000 1.164 601 A HN 0.469 nan 8.150 nan 0.000 0.498 602 L N 2.287 123.069 121.223 -0.735 0.000 2.307 602 L HA 0.433 4.778 4.340 0.007 0.000 0.284 602 L C 1.086 177.675 176.870 -0.469 0.000 1.023 602 L CA 0.148 54.612 54.840 -0.626 0.000 0.810 602 L CB 1.673 43.168 42.059 -0.940 0.000 1.231 602 L HN 0.857 nan 8.230 nan 0.000 0.423 603 S N 1.292 116.835 115.700 -0.262 0.000 2.617 603 S HA 0.154 4.628 4.470 0.007 0.000 0.255 603 S C 0.982 175.579 174.600 -0.006 0.000 1.318 603 S CA -0.422 57.707 58.200 -0.118 0.000 0.978 603 S CB 0.537 63.705 63.200 -0.053 0.000 0.961 603 S HN 0.610 nan 8.310 nan 0.000 0.582 604 E N 0.639 120.885 120.200 0.077 0.000 2.204 604 E HA -0.081 4.274 4.350 0.007 0.000 0.195 604 E C 1.667 178.390 176.600 0.205 0.000 0.990 604 E CA 1.437 57.937 56.400 0.167 0.000 0.821 604 E CB -0.826 28.947 29.700 0.121 0.000 0.750 604 E HN 0.788 nan 8.360 nan 0.000 0.477 605 T N 0.239 114.885 114.554 0.154 0.000 3.169 605 T HA 0.030 4.385 4.350 0.007 0.000 0.250 605 T C -0.032 174.853 174.700 0.308 0.000 1.111 605 T CA -0.192 62.002 62.100 0.158 0.000 1.010 605 T CB -0.177 68.739 68.868 0.080 0.000 0.984 605 T HN 0.054 nan 8.240 nan 0.000 0.537 606 F N 0.226 120.153 119.950 -0.037 0.000 3.034 606 F HA -0.187 4.344 4.527 0.007 0.000 0.286 606 F C 0.349 176.110 175.800 -0.065 0.000 0.804 606 F CA -0.510 57.450 58.000 -0.067 0.000 1.161 606 F CB -2.372 36.607 39.000 -0.035 0.000 1.317 606 F HN -0.007 nan 8.300 nan 0.000 0.453 607 V N 1.934 121.878 119.914 0.050 0.000 2.479 607 V HA 0.218 4.342 4.120 0.007 0.000 0.281 607 V C -1.625 174.406 176.094 -0.105 0.000 1.031 607 V CA -1.120 61.171 62.300 -0.014 0.000 1.038 607 V CB 0.706 32.522 31.823 -0.011 0.000 0.981 607 V HN -0.112 nan 8.190 nan 0.000 0.478 608 P HA 0.285 nan 4.420 nan 0.000 0.282 608 P C -0.221 177.001 177.300 -0.130 0.000 1.249 608 P CA -0.376 62.628 63.100 -0.160 0.000 0.806 608 P CB 0.956 32.576 31.700 -0.133 0.000 0.984 609 S N 1.262 116.871 115.700 -0.151 0.000 2.617 609 S HA 0.211 4.686 4.470 0.007 0.000 0.259 609 S C 0.047 174.595 174.600 -0.087 0.000 1.301 609 S CA -0.531 57.602 58.200 -0.111 0.000 0.984 609 S CB -0.040 63.087 63.200 -0.122 0.000 0.954 609 S HN 0.282 nan 8.310 nan 0.000 0.572 610 D N 1.224 121.587 120.400 -0.063 0.000 2.414 610 D HA 0.423 5.068 4.640 0.007 0.000 0.242 610 D C 0.204 176.483 176.300 -0.035 0.000 1.129 610 D CA 0.394 54.366 54.000 -0.047 0.000 0.885 610 D CB 0.696 41.477 40.800 -0.032 0.000 1.198 610 D HN 0.828 nan 8.370 nan 0.000 0.437 611 A N 2.821 125.635 122.820 -0.010 0.000 2.409 611 A HA 0.221 4.545 4.320 0.007 0.000 0.267 611 A C 0.596 178.208 177.584 0.047 0.000 1.127 611 A CA -0.310 51.751 52.037 0.040 0.000 0.795 611 A CB 0.184 19.258 19.000 0.124 0.000 1.061 611 A HN 0.476 nan 8.150 nan 0.000 0.502 612 R N 2.956 123.461 120.500 0.008 0.000 2.442 612 R HA 0.261 4.606 4.340 0.007 0.000 0.291 612 R C 0.136 176.400 176.300 -0.061 0.000 1.069 612 R CA -0.044 56.046 56.100 -0.017 0.000 1.022 612 R CB 0.321 30.606 30.300 -0.024 0.000 0.976 612 R HN 0.761 nan 8.270 nan 0.000 0.443 613 M N 5.680 125.219 119.600 -0.102 0.000 2.277 613 M HA 0.337 4.822 4.480 0.007 0.000 0.350 613 M C -1.188 175.013 176.300 -0.165 0.000 1.180 613 M CA -0.464 54.687 55.300 -0.249 0.000 1.103 613 M CB 1.070 33.552 32.600 -0.196 0.000 1.577 613 M HN 0.541 nan 8.290 nan 0.000 0.459 614 I N 3.152 123.604 120.570 -0.196 0.000 2.619 614 I HA 0.420 4.594 4.170 0.007 0.000 0.292 614 I C -0.558 175.499 176.117 -0.099 0.000 1.100 614 I CA -0.581 60.655 61.300 -0.106 0.000 1.043 614 I CB 2.016 39.979 38.000 -0.063 0.000 1.239 614 I HN 0.547 nan 8.210 nan 0.000 0.420 615 D N 0.000 120.363 120.400 -0.061 0.000 6.856 615 D HA 0.000 4.644 4.640 0.007 0.000 0.175 615 D CA 0.000 53.974 54.000 -0.044 0.000 0.868 615 D CB 0.000 40.777 40.800 -0.039 0.000 0.688 615 D HN 0.000 nan 8.370 nan 0.000 0.683