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 3fha_1_A DATA FIRST_RESID 2 DATA SEQUENCE TYNGPLSSHW FPEELAQWEP DSDPDAPFNR SHVPLEPGRV ANRVNANADK 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 WEGLFPEXEK 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 FRLDGEEDFR YVEGEQRESI NGWTQWTLPL DAFAGQTITG DATA SEQUENCE LAFAAEGNET GLAEFYTGQL AVGXXXXXPA APNVNVRQYD PDPSGIQLVW DATA SEQUENCE EXXXNVHHYR VYKETKHGKE LIGTSAGDRI YIEGLXEXXX 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 0.000 174.782 174.700 0.137 0.000 1.109 2 T CA 0.000 62.160 62.100 0.101 0.000 1.349 2 T CB 0.000 68.924 68.868 0.094 0.000 0.612 3 Y N 2.779 123.104 120.300 0.042 0.000 2.496 3 Y HA 0.568 5.117 4.550 -0.001 0.000 0.334 3 Y C 0.537 176.449 175.900 0.020 0.000 1.080 3 Y CA 0.078 58.204 58.100 0.044 0.000 1.355 3 Y CB 0.583 39.059 38.460 0.026 0.000 1.193 3 Y HN 0.119 nan 8.280 nan 0.000 0.523 4 N N 3.670 122.070 118.700 -0.499 0.000 2.282 4 N HA 0.240 4.980 4.740 -0.001 0.000 0.240 4 N C 0.152 175.208 175.510 -0.756 0.000 1.182 4 N CA 0.110 52.902 53.050 -0.430 0.000 0.874 4 N CB 0.735 39.150 38.487 -0.121 0.000 1.126 4 N HN 0.796 nan 8.380 nan 0.000 0.516 5 G N 0.061 107.813 108.800 -1.746 0.000 2.583 5 G HA2 0.418 4.377 3.960 -0.001 0.000 0.280 5 G HA3 0.418 4.377 3.960 -0.001 0.000 0.280 5 G C -2.624 171.654 174.900 -1.036 0.000 1.376 5 G CA -1.199 42.689 45.100 -2.020 0.000 1.043 5 G HN -0.065 nan 8.290 nan 0.000 0.538 6 P HA 0.276 nan 4.420 nan 0.000 0.268 6 P C -0.624 176.616 177.300 -0.100 0.000 1.205 6 P CA 0.158 62.970 63.100 -0.480 0.000 0.771 6 P CB 0.719 31.845 31.700 -0.956 0.000 0.858 7 L N 1.129 122.339 121.223 -0.023 0.000 2.341 7 L HA 0.409 4.748 4.340 -0.001 0.000 0.267 7 L C 0.691 177.537 176.870 -0.040 0.000 1.009 7 L CA -1.005 53.847 54.840 0.019 0.000 0.819 7 L CB 1.979 44.065 42.059 0.045 0.000 1.323 7 L HN 0.269 nan 8.230 nan 0.000 0.425 8 S N 0.662 116.327 115.700 -0.058 0.000 2.549 8 S HA 0.135 4.604 4.470 -0.001 0.000 0.286 8 S C 0.161 174.652 174.600 -0.182 0.000 1.314 8 S CA -0.484 57.637 58.200 -0.132 0.000 1.062 8 S CB 0.397 63.522 63.200 -0.125 0.000 0.865 8 S HN 0.580 nan 8.310 nan 0.000 0.498 9 S N 3.272 118.784 115.700 -0.313 0.000 2.584 9 S HA 0.392 4.861 4.470 -0.001 0.000 0.270 9 S C -0.501 173.633 174.600 -0.778 0.000 1.346 9 S CA -0.262 57.534 58.200 -0.673 0.000 1.018 9 S CB 0.179 62.880 63.200 -0.832 0.000 0.899 9 S HN 0.934 nan 8.310 nan 0.000 0.542 10 H N -2.033 116.426 119.070 -1.019 0.000 3.094 10 H HA 0.637 5.192 4.556 -0.001 0.000 0.346 10 H C -1.990 172.869 175.328 -0.782 0.000 1.238 10 H CA -1.030 54.553 56.048 -0.775 0.000 1.209 10 H CB 0.548 30.058 29.762 -0.420 0.000 1.911 10 H HN 0.551 nan 8.280 nan 0.000 0.540 11 W N 2.018 123.224 121.300 -0.157 0.000 3.107 11 W HA 0.473 5.132 4.660 -0.002 0.000 0.331 11 W C -1.432 174.846 176.519 -0.402 0.000 1.204 11 W CA -0.988 56.232 57.345 -0.208 0.000 1.184 11 W CB 1.764 31.132 29.460 -0.153 0.000 1.421 11 W HN 0.423 nan 8.180 nan 0.000 0.544 12 F N 1.554 121.543 119.950 0.066 0.000 2.378 12 F HA 0.285 4.811 4.527 -0.001 0.000 0.325 12 F C -1.138 174.630 175.800 -0.053 0.000 1.097 12 F CA -1.980 55.916 58.000 -0.174 0.000 1.079 12 F CB 0.094 38.927 39.000 -0.278 0.000 1.240 12 F HN -0.021 nan 8.300 nan 0.000 0.519 13 P HA -0.194 nan 4.420 nan 0.000 0.216 13 P C 1.153 178.524 177.300 0.118 0.000 1.154 13 P CA 1.635 64.803 63.100 0.112 0.000 0.865 13 P CB 0.248 32.059 31.700 0.185 0.000 0.789 14 E N -0.582 119.714 120.200 0.159 0.000 2.285 14 E HA -0.111 4.239 4.350 -0.001 0.000 0.194 14 E C 1.839 178.520 176.600 0.134 0.000 0.997 14 E CA 0.778 57.259 56.400 0.134 0.000 0.845 14 E CB -0.329 29.453 29.700 0.137 0.000 0.782 14 E HN 0.474 nan 8.360 nan 0.000 0.491 15 E N 0.541 120.852 120.200 0.187 0.000 2.046 15 E HA -0.136 4.213 4.350 -0.001 0.000 0.190 15 E C 2.077 178.755 176.600 0.130 0.000 0.982 15 E CA 0.457 56.996 56.400 0.232 0.000 0.800 15 E CB -0.096 29.827 29.700 0.372 0.000 0.756 15 E HN 0.038 nan 8.360 nan 0.000 0.449 16 L N 1.352 122.545 121.223 -0.049 0.000 2.012 16 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 16 L C 2.266 179.038 176.870 -0.163 0.000 1.073 16 L CA 2.043 56.619 54.840 -0.440 0.000 0.748 16 L CB -0.674 41.104 42.059 -0.468 0.000 0.891 16 L HN 0.063 nan 8.230 nan 0.000 0.431 17 A N -0.490 122.306 122.820 -0.039 0.000 1.958 17 A HA -0.278 4.041 4.320 -0.001 0.000 0.221 17 A C 1.959 179.556 177.584 0.022 0.000 1.178 17 A CA 2.062 54.103 52.037 0.006 0.000 0.642 17 A CB -0.692 18.332 19.000 0.039 0.000 0.816 17 A HN 0.795 nan 8.150 nan 0.000 0.453 18 Q N -2.477 117.353 119.800 0.049 0.000 2.188 18 Q HA 0.149 4.488 4.340 -0.001 0.000 0.212 18 Q C 0.052 176.099 176.000 0.079 0.000 0.846 18 Q CA -0.656 55.177 55.803 0.050 0.000 0.989 18 Q CB -0.277 28.493 28.738 0.053 0.000 1.114 18 Q HN 0.657 nan 8.270 nan 0.000 0.488 19 W N 2.609 123.840 121.300 -0.114 0.000 2.266 19 W HA 0.200 4.860 4.660 -0.001 0.000 0.317 19 W C -0.534 175.915 176.519 -0.116 0.000 1.310 19 W CA 0.157 57.441 57.345 -0.103 0.000 1.207 19 W CB 0.804 30.115 29.460 -0.248 0.000 1.199 19 W HN -0.047 nan 8.180 nan 0.000 0.544 20 E N 7.280 127.024 120.200 -0.760 0.000 2.241 20 E HA 0.154 4.503 4.350 -0.001 0.000 0.263 20 E C -1.846 174.069 176.600 -1.142 0.000 0.882 20 E CA -1.853 54.014 56.400 -0.887 0.000 0.769 20 E CB 2.080 31.525 29.700 -0.425 0.000 1.185 20 E HN 0.205 nan 8.360 nan 0.000 0.415 21 P HA -0.179 nan 4.420 nan 0.000 0.216 21 P C 0.591 177.598 177.300 -0.489 0.000 1.157 21 P CA 1.277 63.717 63.100 -1.100 0.000 0.880 21 P CB 0.416 31.234 31.700 -1.470 0.000 0.791 22 D N -1.298 118.873 120.400 -0.380 0.000 2.264 22 D HA -0.089 4.550 4.640 -0.001 0.000 0.208 22 D C 1.897 178.124 176.300 -0.123 0.000 0.966 22 D CA 1.466 55.361 54.000 -0.174 0.000 0.864 22 D CB -0.400 40.316 40.800 -0.140 0.000 0.933 22 D HN 0.308 nan 8.370 nan 0.000 0.499 23 S N -0.668 114.930 115.700 -0.171 0.000 2.483 23 S HA -0.050 4.419 4.470 -0.001 0.000 0.221 23 S C 0.756 175.332 174.600 -0.040 0.000 1.030 23 S CA -0.316 57.825 58.200 -0.098 0.000 0.925 23 S CB 0.313 63.447 63.200 -0.110 0.000 0.795 23 S HN -0.087 nan 8.310 nan 0.000 0.511 24 D N 3.680 124.054 120.400 -0.043 0.000 2.338 24 D HA 0.291 4.930 4.640 -0.001 0.000 0.255 24 D C -1.792 174.614 176.300 0.177 0.000 1.237 24 D CA -2.178 51.892 54.000 0.117 0.000 0.883 24 D CB 1.527 42.494 40.800 0.278 0.000 1.087 24 D HN 0.066 nan 8.370 nan 0.000 0.485 25 P HA -0.036 nan 4.420 nan 0.000 0.222 25 P C 0.345 177.912 177.300 0.446 0.000 1.147 25 P CA 0.688 63.916 63.100 0.213 0.000 0.790 25 P CB 0.464 32.174 31.700 0.016 0.000 0.780 26 D N -1.029 119.612 120.400 0.401 0.000 2.305 26 D HA 0.076 4.715 4.640 -0.001 0.000 0.206 26 D C 2.027 178.639 176.300 0.520 0.000 0.974 26 D CA 0.697 54.968 54.000 0.452 0.000 0.871 26 D CB -0.681 40.268 40.800 0.249 0.000 0.947 26 D HN -0.020 nan 8.370 nan 0.000 0.516 27 A N 1.782 124.930 122.820 0.545 0.000 1.892 27 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 27 A C -0.260 177.727 177.584 0.673 0.000 1.188 27 A CA 1.488 53.975 52.037 0.751 0.000 0.631 27 A CB -1.538 17.871 19.000 0.682 0.000 0.822 27 A HN 0.203 nan 8.150 nan 0.000 0.447 28 P HA -0.068 nan 4.420 nan 0.000 0.221 28 P C 0.856 178.159 177.300 0.006 0.000 1.150 28 P CA 0.801 64.004 63.100 0.171 0.000 0.800 28 P CB -0.179 31.494 31.700 -0.045 0.000 0.787 29 F N -0.680 119.341 119.950 0.118 0.000 2.407 29 F HA -0.015 4.511 4.527 -0.001 0.000 0.299 29 F C 1.700 177.489 175.800 -0.020 0.000 1.097 29 F CA 0.829 58.850 58.000 0.035 0.000 1.422 29 F CB -0.749 38.253 39.000 0.003 0.000 1.067 29 F HN -0.070 nan 8.300 nan 0.000 0.539 30 N N 0.195 118.949 118.700 0.090 0.000 2.280 30 N HA 0.050 4.790 4.740 -0.001 0.000 0.192 30 N C -0.038 175.249 175.510 -0.372 0.000 1.109 30 N CA 0.125 53.000 53.050 -0.291 0.000 0.855 30 N CB 0.067 38.132 38.487 -0.702 0.000 0.974 30 N HN 0.182 nan 8.380 nan 0.000 0.482 31 R N 0.755 121.212 120.500 -0.071 0.000 2.298 31 R HA 0.170 4.510 4.340 -0.001 0.000 0.310 31 R C 0.336 176.541 176.300 -0.158 0.000 1.068 31 R CA -0.108 55.932 56.100 -0.100 0.000 0.957 31 R CB 0.857 31.006 30.300 -0.253 0.000 1.003 31 R HN -0.080 nan 8.270 nan 0.000 0.454 32 S N 1.565 117.175 115.700 -0.149 0.000 2.548 32 S HA 0.059 4.528 4.470 -0.001 0.000 0.277 32 S C 0.064 174.522 174.600 -0.237 0.000 1.315 32 S CA -0.460 57.673 58.200 -0.112 0.000 1.050 32 S CB 0.366 63.512 63.200 -0.090 0.000 0.918 32 S HN 0.655 nan 8.310 nan 0.000 0.497 33 H N 2.333 121.414 119.070 0.018 0.000 2.528 33 H HA 0.377 4.932 4.556 -0.001 0.000 0.282 33 H C -0.711 174.646 175.328 0.049 0.000 1.097 33 H CA -0.111 55.958 56.048 0.036 0.000 1.121 33 H CB 0.628 30.417 29.762 0.046 0.000 1.590 33 H HN 0.299 nan 8.280 nan 0.000 0.553 34 V N 3.019 123.008 119.914 0.125 0.000 2.304 34 V HA 0.265 4.385 4.120 -0.001 0.000 0.278 34 V C -2.279 173.935 176.094 0.201 0.000 1.018 34 V CA -2.080 60.292 62.300 0.120 0.000 0.814 34 V CB 1.343 33.209 31.823 0.071 0.000 1.021 34 V HN 0.114 nan 8.190 nan 0.000 0.440 35 P HA 0.110 nan 4.420 nan 0.000 0.269 35 P C -0.249 176.990 177.300 -0.102 0.000 1.215 35 P CA -0.476 62.653 63.100 0.048 0.000 0.780 35 P CB 0.589 32.294 31.700 0.008 0.000 0.898 36 L N 2.751 123.686 121.223 -0.480 0.000 2.534 36 L HA 0.016 4.355 4.340 -0.001 0.000 0.271 36 L C 0.398 177.140 176.870 -0.213 0.000 1.178 36 L CA 0.643 55.125 54.840 -0.597 0.000 0.907 36 L CB -0.635 41.020 42.059 -0.673 0.000 1.164 36 L HN 0.257 nan 8.230 nan 0.000 0.482 37 E N 7.215 127.342 120.200 -0.122 0.000 2.265 37 E HA 0.199 4.548 4.350 -0.001 0.000 0.272 37 E C -2.151 174.419 176.600 -0.050 0.000 1.067 37 E CA -1.469 54.897 56.400 -0.056 0.000 0.900 37 E CB 0.314 29.998 29.700 -0.025 0.000 1.017 37 E HN 0.496 nan 8.360 nan 0.000 0.431 38 P HA 0.206 nan 4.420 nan 0.000 0.279 38 P C 0.035 177.329 177.300 -0.011 0.000 1.252 38 P CA -0.366 62.720 63.100 -0.022 0.000 0.811 38 P CB 0.737 32.427 31.700 -0.017 0.000 1.035 39 G N 0.990 109.789 108.800 -0.001 0.000 2.351 39 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.297 39 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.297 39 G C -0.101 174.798 174.900 -0.003 0.000 1.054 39 G CA -0.384 44.718 45.100 0.003 0.000 1.123 39 G HN 0.584 nan 8.290 nan 0.000 0.512 40 R N -1.137 119.366 120.500 0.005 0.000 2.694 40 R HA 0.523 4.863 4.340 -0.001 0.000 0.268 40 R C 0.421 176.722 176.300 0.001 0.000 1.061 40 R CA -0.390 55.709 56.100 -0.001 0.000 1.133 40 R CB 1.300 31.610 30.300 0.018 0.000 1.020 40 R HN 0.269 nan 8.270 nan 0.000 0.475 41 V N 1.319 121.221 119.914 -0.019 0.000 2.513 41 V HA 0.650 4.769 4.120 -0.001 0.000 0.299 41 V C -0.518 175.577 176.094 0.002 0.000 1.035 41 V CA -0.506 61.787 62.300 -0.011 0.000 0.889 41 V CB 1.604 33.405 31.823 -0.036 0.000 0.988 41 V HN 0.918 nan 8.190 nan 0.000 0.440 42 A N 5.327 128.169 122.820 0.037 0.000 2.306 42 A HA 0.743 5.062 4.320 -0.001 0.000 0.330 42 A C -0.030 177.610 177.584 0.093 0.000 1.146 42 A CA -0.728 51.352 52.037 0.071 0.000 0.827 42 A CB 0.740 19.800 19.000 0.101 0.000 1.178 42 A HN 0.994 nan 8.150 nan 0.000 0.490 43 N N 0.357 119.146 118.700 0.148 0.000 2.476 43 N HA 0.410 5.149 4.740 -0.001 0.000 0.287 43 N C -0.200 175.430 175.510 0.198 0.000 1.262 43 N CA -0.557 52.641 53.050 0.246 0.000 0.980 43 N CB 0.643 39.415 38.487 0.476 0.000 1.163 43 N HN 0.586 nan 8.380 nan 0.000 0.592 44 R N -0.603 120.012 120.500 0.191 0.000 2.563 44 R HA 0.136 4.475 4.340 -0.001 0.000 0.443 44 R C 1.139 177.475 176.300 0.060 0.000 0.956 44 R CA 0.047 56.207 56.100 0.101 0.000 1.141 44 R CB 0.042 30.379 30.300 0.060 0.000 1.553 44 R HN 0.455 nan 8.270 nan 0.000 0.577 45 V N -1.481 118.481 119.914 0.080 0.000 2.490 45 V HA -0.044 4.075 4.120 -0.001 0.000 0.250 45 V C 0.881 176.959 176.094 -0.027 0.000 1.061 45 V CA 1.136 63.415 62.300 -0.035 0.000 1.064 45 V CB -0.319 31.397 31.823 -0.177 0.000 0.670 45 V HN 0.196 nan 8.190 nan 0.000 0.461 46 N N 0.628 119.332 118.700 0.008 0.000 2.426 46 N HA 0.456 5.195 4.740 -0.001 0.000 0.257 46 N C 0.965 176.425 175.510 -0.084 0.000 1.002 46 N CA 0.575 53.596 53.050 -0.048 0.000 0.942 46 N CB 1.867 40.319 38.487 -0.058 0.000 1.112 46 N HN 0.345 nan 8.380 nan 0.000 0.499 47 A N 3.978 126.738 122.820 -0.100 0.000 1.969 47 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 47 A C 1.863 179.357 177.584 -0.151 0.000 1.169 47 A CA 1.379 53.355 52.037 -0.101 0.000 0.635 47 A CB -0.354 18.596 19.000 -0.084 0.000 0.810 47 A HN 0.781 nan 8.150 nan 0.000 0.445 48 N N 0.007 118.560 118.700 -0.246 0.000 2.354 48 N HA 0.110 4.849 4.740 -0.001 0.000 0.179 48 N C 0.713 176.000 175.510 -0.372 0.000 1.021 48 N CA 0.749 53.578 53.050 -0.368 0.000 0.887 48 N CB -0.367 37.707 38.487 -0.688 0.000 0.974 48 N HN 0.399 nan 8.380 nan 0.000 0.437 49 A N 0.909 123.536 122.820 -0.321 0.000 2.540 49 A HA 0.114 4.433 4.320 -0.001 0.000 0.239 49 A C -0.116 177.365 177.584 -0.172 0.000 1.061 49 A CA 0.046 51.928 52.037 -0.258 0.000 0.758 49 A CB -0.130 18.799 19.000 -0.119 0.000 0.991 49 A HN 0.543 nan 8.150 nan 0.000 0.502 50 D N 1.150 121.435 120.400 -0.191 0.000 2.299 50 D HA 0.311 4.950 4.640 -0.001 0.000 0.243 50 D C 0.142 176.387 176.300 -0.092 0.000 0.982 50 D CA -0.715 53.204 54.000 -0.135 0.000 0.924 50 D CB 1.409 42.121 40.800 -0.146 0.000 1.238 50 D HN 0.559 nan 8.370 nan 0.000 0.484 51 K N -0.235 120.121 120.400 -0.074 0.000 2.358 51 K HA 0.131 4.450 4.320 -0.001 0.000 0.197 51 K C 0.130 176.646 176.600 -0.140 0.000 1.025 51 K CA -0.173 56.092 56.287 -0.037 0.000 1.104 51 K CB 0.518 33.018 32.500 0.000 0.000 0.855 51 K HN 0.126 nan 8.250 nan 0.000 0.531 52 D N 2.241 122.462 120.400 -0.299 0.000 2.144 52 D HA 0.007 4.646 4.640 -0.001 0.000 0.207 52 D C 0.618 176.280 176.300 -1.064 0.000 0.970 52 D CA 0.726 54.311 54.000 -0.692 0.000 0.853 52 D CB -0.072 40.261 40.800 -0.779 0.000 1.007 52 D HN 0.337 nan 8.370 nan 0.000 0.469 53 A N 1.664 124.096 122.820 -0.648 0.000 2.425 53 A HA 0.212 4.531 4.320 -0.001 0.000 0.249 53 A C -0.049 177.587 177.584 0.086 0.000 1.084 53 A CA -0.025 51.863 52.037 -0.248 0.000 0.781 53 A CB 0.165 19.274 19.000 0.182 0.000 1.019 53 A HN 0.163 nan 8.150 nan 0.000 0.490 54 H N 0.308 119.599 119.070 0.368 0.000 2.595 54 H HA 0.601 5.156 4.556 -0.001 0.000 0.346 54 H C -0.899 174.711 175.328 0.470 0.000 1.181 54 H CA -0.826 55.483 56.048 0.436 0.000 1.242 54 H CB 1.607 31.616 29.762 0.412 0.000 1.652 54 H HN 0.602 nan 8.280 nan 0.000 0.548 55 L N 1.538 123.004 121.223 0.404 0.000 2.349 55 L HA 0.389 4.728 4.340 -0.001 0.000 0.278 55 L C -1.159 175.888 176.870 0.295 0.000 0.996 55 L CA -0.754 54.202 54.840 0.192 0.000 0.825 55 L CB 1.209 43.034 42.059 -0.390 0.000 1.243 55 L HN 0.228 nan 8.230 nan 0.000 0.412 56 V N 3.555 123.651 119.914 0.304 0.000 2.427 56 V HA 0.426 4.545 4.120 -0.001 0.000 0.286 56 V C 0.051 176.269 176.094 0.206 0.000 1.034 56 V CA -0.311 62.057 62.300 0.113 0.000 0.893 56 V CB 1.780 33.502 31.823 -0.169 0.000 0.982 56 V HN 0.785 nan 8.190 nan 0.000 0.452 57 S N 4.842 120.624 115.700 0.136 0.000 2.449 57 S HA 0.644 5.113 4.470 -0.001 0.000 0.310 57 S C -0.864 173.699 174.600 -0.062 0.000 1.096 57 S CA -0.561 57.690 58.200 0.084 0.000 1.095 57 S CB 0.689 63.931 63.200 0.071 0.000 1.007 57 S HN 0.463 nan 8.310 nan 0.000 0.474 58 L N 4.870 126.013 121.223 -0.133 0.000 2.314 58 L HA 0.461 4.800 4.340 -0.001 0.000 0.275 58 L C -0.108 176.534 176.870 -0.379 0.000 1.068 58 L CA 0.301 54.971 54.840 -0.282 0.000 0.894 58 L CB 0.693 42.480 42.059 -0.452 0.000 1.275 58 L HN 0.533 nan 8.230 nan 0.000 0.432 59 S N 1.622 117.146 115.700 -0.293 0.000 2.473 59 S HA 0.668 5.137 4.470 -0.001 0.000 0.307 59 S C 0.371 174.791 174.600 -0.300 0.000 1.094 59 S CA -0.706 57.280 58.200 -0.357 0.000 1.070 59 S CB 1.774 64.707 63.200 -0.446 0.000 1.019 59 S HN 0.539 nan 8.310 nan 0.000 0.480 60 A N 3.825 126.459 122.820 -0.310 0.000 2.981 60 A HA 0.311 4.630 4.320 -0.001 0.000 0.280 60 A C 1.033 178.386 177.584 -0.384 0.000 1.743 60 A CA -0.268 51.586 52.037 -0.306 0.000 1.430 60 A CB -0.956 17.917 19.000 -0.211 0.000 1.085 60 A HN 0.932 nan 8.150 nan 0.000 0.597 61 L N 0.178 121.145 121.223 -0.426 0.000 2.191 61 L HA -0.074 4.265 4.340 -0.001 0.000 0.212 61 L C 0.472 177.149 176.870 -0.322 0.000 1.103 61 L CA 0.679 55.326 54.840 -0.322 0.000 0.769 61 L CB -0.253 41.737 42.059 -0.114 0.000 0.908 61 L HN 0.544 nan 8.230 nan 0.000 0.438 62 N N -0.636 117.858 118.700 -0.343 0.000 2.342 62 N HA 0.157 4.896 4.740 -0.001 0.000 0.293 62 N C 0.511 175.842 175.510 -0.298 0.000 1.026 62 N CA -0.295 52.599 53.050 -0.260 0.000 0.857 62 N CB 2.035 40.465 38.487 -0.096 0.000 1.256 62 N HN -0.030 nan 8.380 nan 0.000 0.484 63 R N 0.932 121.253 120.500 -0.298 0.000 2.091 63 R HA -0.071 4.268 4.340 -0.001 0.000 0.238 63 R C -0.119 175.894 176.300 -0.478 0.000 1.136 63 R CA 1.341 57.204 56.100 -0.396 0.000 0.959 63 R CB 0.143 30.162 30.300 -0.468 0.000 0.856 63 R HN 0.565 nan 8.270 nan 0.000 0.437 64 H N -1.392 117.617 119.070 -0.102 0.000 2.573 64 H HA 0.162 4.717 4.556 -0.001 0.000 0.351 64 H C 0.671 175.919 175.328 -0.133 0.000 1.163 64 H CA -0.468 55.515 56.048 -0.108 0.000 1.205 64 H CB 2.191 31.904 29.762 -0.081 0.000 1.605 64 H HN -0.058 nan 8.280 nan 0.000 0.525 65 T N 1.289 115.817 114.554 -0.043 0.000 2.737 65 T HA -0.065 4.284 4.350 -0.001 0.000 0.265 65 T C 1.129 175.696 174.700 -0.221 0.000 1.038 65 T CA 1.311 63.317 62.100 -0.157 0.000 1.144 65 T CB 0.009 68.717 68.868 -0.267 0.000 0.866 65 T HN 0.673 nan 8.240 nan 0.000 0.434 66 S N -0.302 115.234 115.700 -0.274 0.000 2.672 66 S HA 0.529 4.998 4.470 -0.001 0.000 0.276 66 S C 1.289 175.884 174.600 -0.008 0.000 1.207 66 S CA -0.113 57.960 58.200 -0.211 0.000 1.002 66 S CB 1.146 64.204 63.200 -0.237 0.000 0.998 66 S HN 0.775 nan 8.310 nan 0.000 0.542 67 G N -0.491 108.350 108.800 0.069 0.000 2.153 67 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.252 67 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.252 67 G C -0.072 174.853 174.900 0.043 0.000 0.994 67 G CA 0.045 45.186 45.100 0.068 0.000 0.698 67 G HN 1.182 nan 8.290 nan 0.000 0.521 68 V N 2.035 121.969 119.914 0.034 0.000 2.353 68 V HA 0.329 4.448 4.120 -0.001 0.000 0.264 68 V C -1.416 174.650 176.094 -0.047 0.000 1.049 68 V CA -1.490 60.803 62.300 -0.012 0.000 0.896 68 V CB 1.118 32.947 31.823 0.009 0.000 1.025 68 V HN 0.119 nan 8.190 nan 0.000 0.475 69 P HA 0.080 nan 4.420 nan 0.000 0.265 69 P C 0.975 178.220 177.300 -0.093 0.000 1.187 69 P CA 0.371 63.337 63.100 -0.224 0.000 0.766 69 P CB 0.644 32.000 31.700 -0.573 0.000 0.820 70 S N 1.733 117.410 115.700 -0.037 0.000 2.370 70 S HA -0.198 4.271 4.470 -0.001 0.000 0.226 70 S C 0.893 175.498 174.600 0.008 0.000 1.033 70 S CA 1.523 59.713 58.200 -0.017 0.000 1.011 70 S CB -0.334 62.885 63.200 0.032 0.000 0.852 70 S HN 0.613 nan 8.310 nan 0.000 0.457 71 Q N -0.169 119.652 119.800 0.035 0.000 2.158 71 Q HA 0.466 4.805 4.340 -0.001 0.000 0.306 71 Q C 0.167 176.210 176.000 0.073 0.000 0.878 71 Q CA -0.121 55.728 55.803 0.076 0.000 1.136 71 Q CB 1.273 30.095 28.738 0.141 0.000 1.253 71 Q HN 0.445 nan 8.270 nan 0.000 0.441 72 G N 0.580 109.399 108.800 0.031 0.000 2.592 72 G HA2 0.196 4.155 3.960 -0.001 0.000 0.684 72 G HA3 0.196 4.155 3.960 -0.001 0.000 0.684 72 G C -1.297 173.600 174.900 -0.004 0.000 1.291 72 G CA -0.575 44.557 45.100 0.054 0.000 0.891 72 G HN 0.488 nan 8.290 nan 0.000 0.544 73 A N -0.356 122.485 122.820 0.035 0.000 2.612 73 A HA 0.923 5.242 4.320 -0.001 0.000 0.293 73 A C -2.785 174.853 177.584 0.090 0.000 1.075 73 A CA -0.440 51.590 52.037 -0.011 0.000 0.680 73 A CB 2.161 21.103 19.000 -0.097 0.000 1.279 73 A HN 1.025 nan 8.150 nan 0.000 0.411 74 P HA 0.307 nan 4.420 nan 0.000 0.225 74 P C -0.867 176.504 177.300 0.119 0.000 1.768 74 P CA 0.282 63.466 63.100 0.140 0.000 0.943 74 P CB -0.270 31.499 31.700 0.115 0.000 1.936 75 V N 2.379 122.356 119.914 0.106 0.000 2.569 75 V HA 0.155 4.274 4.120 -0.001 0.000 0.301 75 V C 0.895 177.047 176.094 0.096 0.000 1.044 75 V CA -0.535 61.821 62.300 0.093 0.000 0.874 75 V CB 1.617 33.471 31.823 0.052 0.000 1.002 75 V HN 0.060 nan 8.190 nan 0.000 0.424 76 F N 5.098 125.006 119.950 -0.071 0.000 2.128 76 F HA 0.021 4.547 4.527 -0.001 0.000 0.295 76 F C 0.881 176.616 175.800 -0.110 0.000 1.100 76 F CA 1.030 58.928 58.000 -0.170 0.000 1.260 76 F CB -0.159 38.751 39.000 -0.150 0.000 1.009 76 F HN 0.475 nan 8.300 nan 0.000 0.476 77 Y N 2.535 122.662 120.300 -0.289 0.000 2.616 77 Y HA 0.370 4.919 4.550 -0.001 0.000 0.350 77 Y C -0.401 175.483 175.900 -0.027 0.000 1.119 77 Y CA -0.416 57.493 58.100 -0.318 0.000 1.467 77 Y CB -0.750 37.531 38.460 -0.299 0.000 1.287 77 Y HN 0.139 nan 8.280 nan 0.000 0.504 78 E N 3.019 123.009 120.200 -0.350 0.000 2.393 78 E HA 0.247 4.597 4.350 -0.001 0.000 0.273 78 E C -1.311 174.777 176.600 -0.853 0.000 0.918 78 E CA -0.872 55.262 56.400 -0.444 0.000 0.773 78 E CB 0.905 30.450 29.700 -0.259 0.000 1.275 78 E HN 0.368 nan 8.360 nan 0.000 0.451 79 N N 1.674 119.519 118.700 -1.425 0.000 2.498 79 N HA -0.006 4.733 4.740 -0.001 0.000 0.277 79 N C -0.565 174.752 175.510 -0.321 0.000 1.208 79 N CA 0.350 52.578 53.050 -1.370 0.000 1.029 79 N CB -0.159 37.478 38.487 -1.417 0.000 1.403 79 N HN 0.427 nan 8.380 nan 0.000 0.500 80 T N 3.043 117.661 114.554 0.107 0.000 3.285 80 T HA 0.110 4.459 4.350 -0.001 0.000 0.232 80 T C 0.350 175.216 174.700 0.278 0.000 0.973 80 T CA -0.809 61.441 62.100 0.250 0.000 1.023 80 T CB -1.295 67.722 68.868 0.250 0.000 1.158 80 T HN 0.260 nan 8.240 nan 0.000 0.590 81 F N 3.195 123.160 119.950 0.026 0.000 2.568 81 F HA 0.158 4.684 4.527 -0.002 0.000 0.394 81 F C 1.115 176.651 175.800 -0.439 0.000 1.032 81 F CA 0.853 58.694 58.000 -0.265 0.000 1.242 81 F CB 0.629 39.328 39.000 -0.500 0.000 0.966 81 F HN 0.468 nan 8.300 nan 0.000 0.560 82 S N 3.863 118.781 115.700 -1.305 0.000 2.780 82 S HA 0.167 4.636 4.470 -0.001 0.000 0.248 82 S C -0.085 173.683 174.600 -1.386 0.000 1.036 82 S CA -0.311 57.250 58.200 -1.064 0.000 1.061 82 S CB -0.585 62.193 63.200 -0.704 0.000 1.037 82 S HN 0.639 nan 8.310 nan 0.000 0.584 83 Y N 1.236 120.286 120.300 -2.084 0.000 2.811 83 Y HA 0.391 4.940 4.550 -0.002 0.000 0.330 83 Y C 0.566 175.652 175.900 -1.356 0.000 1.081 83 Y CA -1.228 55.872 58.100 -1.668 0.000 1.408 83 Y CB -0.736 36.627 38.460 -1.828 0.000 1.235 83 Y HN 0.340 nan 8.280 nan 0.000 0.529 84 W N -0.464 120.389 121.300 -0.744 0.000 2.341 84 W HA -0.271 4.388 4.660 -0.002 0.000 0.283 84 W C 2.460 178.879 176.519 -0.166 0.000 1.215 84 W CA 1.578 58.800 57.345 -0.205 0.000 1.211 84 W CB -0.427 28.977 29.460 -0.093 0.000 1.131 84 W HN 0.428 nan 8.180 nan 0.000 0.552 85 H N -2.660 116.330 119.070 -0.133 0.000 2.491 85 H HA -0.126 4.429 4.556 -0.002 0.000 0.290 85 H C 0.827 176.010 175.328 -0.241 0.000 1.050 85 H CA 1.132 57.034 56.048 -0.242 0.000 1.309 85 H CB -1.084 28.413 29.762 -0.443 0.000 1.392 85 H HN 0.239 nan 8.280 nan 0.000 0.554 86 Y N 1.732 121.940 120.300 -0.153 0.000 2.458 86 Y HA 0.245 4.794 4.550 -0.002 0.000 0.256 86 Y C 0.557 176.542 175.900 0.141 0.000 1.159 86 Y CA -0.192 57.963 58.100 0.092 0.000 1.261 86 Y CB 0.526 39.150 38.460 0.275 0.000 1.119 86 Y HN 0.038 nan 8.280 nan 0.000 0.524 87 T N 0.588 115.275 114.554 0.221 0.000 2.824 87 T HA 0.165 4.514 4.350 -0.001 0.000 0.280 87 T C 0.383 175.215 174.700 0.221 0.000 0.995 87 T CA -0.547 61.705 62.100 0.252 0.000 1.009 87 T CB 1.541 70.579 68.868 0.285 0.000 0.955 87 T HN 0.171 nan 8.240 nan 0.000 0.452 88 D N 1.059 121.578 120.400 0.199 0.000 2.380 88 D HA 0.168 4.807 4.640 -0.001 0.000 0.212 88 D C 0.004 176.366 176.300 0.104 0.000 1.021 88 D CA 0.309 54.401 54.000 0.154 0.000 0.884 88 D CB 0.715 41.616 40.800 0.169 0.000 1.001 88 D HN 0.163 nan 8.370 nan 0.000 0.506 89 L N 0.795 122.081 121.223 0.105 0.000 2.526 89 L HA 0.393 4.732 4.340 -0.001 0.000 0.263 89 L C -1.803 175.117 176.870 0.082 0.000 0.943 89 L CA -0.635 54.229 54.840 0.039 0.000 0.859 89 L CB 2.235 44.221 42.059 -0.123 0.000 1.313 89 L HN -0.252 nan 8.230 nan 0.000 0.406 90 M N 5.220 124.892 119.600 0.119 0.000 2.227 90 M HA 0.672 5.152 4.480 -0.001 0.000 0.335 90 M C -1.739 174.605 176.300 0.073 0.000 1.053 90 M CA -0.401 54.972 55.300 0.123 0.000 0.973 90 M CB 1.588 34.353 32.600 0.275 0.000 1.623 90 M HN 0.255 nan 8.290 nan 0.000 0.434 91 V N 6.198 126.115 119.914 0.005 0.000 2.370 91 V HA 0.251 4.370 4.120 -0.001 0.000 0.283 91 V C -0.967 175.132 176.094 0.010 0.000 1.023 91 V CA -0.665 61.625 62.300 -0.018 0.000 0.857 91 V CB 0.901 32.593 31.823 -0.219 0.000 0.985 91 V HN 0.775 nan 8.190 nan 0.000 0.443 92 Y N 5.438 125.685 120.300 -0.088 0.000 2.637 92 Y HA 0.078 4.627 4.550 -0.001 0.000 0.350 92 Y C 0.185 176.035 175.900 -0.083 0.000 1.069 92 Y CA 0.026 58.063 58.100 -0.105 0.000 1.397 92 Y CB 0.278 38.630 38.460 -0.180 0.000 1.163 92 Y HN 0.739 nan 8.280 nan 0.000 0.527 93 W N 8.370 129.358 121.300 -0.519 0.000 2.437 93 W HA 0.549 5.209 4.660 -0.001 0.000 0.312 93 W C -1.236 174.977 176.519 -0.511 0.000 1.242 93 W CA -0.162 56.905 57.345 -0.463 0.000 1.340 93 W CB 0.518 29.704 29.460 -0.457 0.000 1.327 93 W HN 0.765 nan 8.180 nan 0.000 0.476 94 A N 4.026 126.371 122.820 -0.791 0.000 2.536 94 A HA 0.814 5.134 4.320 -0.001 0.000 0.293 94 A C -0.318 176.963 177.584 -0.505 0.000 1.119 94 A CA -0.095 51.617 52.037 -0.541 0.000 0.654 94 A CB 0.836 19.688 19.000 -0.247 0.000 1.291 94 A HN 1.425 nan 8.150 nan 0.000 0.439 95 G N -1.000 107.629 108.800 -0.284 0.000 2.906 95 G HA2 0.615 4.574 3.960 -0.001 0.000 0.686 95 G HA3 0.615 4.574 3.960 -0.001 0.000 0.686 95 G C -0.482 174.445 174.900 0.044 0.000 1.170 95 G CA 0.287 45.314 45.100 -0.123 0.000 0.775 95 G HN 2.775 nan 8.290 nan 0.000 0.630 96 S N 0.048 115.783 115.700 0.058 0.000 2.567 96 S HA 0.888 5.357 4.470 -0.001 0.000 0.270 96 S C 1.071 175.739 174.600 0.115 0.000 1.152 96 S CA 0.306 58.605 58.200 0.165 0.000 0.835 96 S CB 1.375 64.632 63.200 0.096 0.000 1.115 96 S HN 2.426 nan 8.310 nan 0.000 0.459 97 A N 1.266 124.241 122.820 0.259 0.000 2.019 97 A HA 0.228 4.547 4.320 -0.001 0.000 0.219 97 A C 1.926 179.801 177.584 0.486 0.000 1.164 97 A CA 1.890 54.202 52.037 0.458 0.000 0.644 97 A CB -1.420 17.905 19.000 0.542 0.000 0.805 97 A HN 1.439 nan 8.150 nan 0.000 0.449 98 G N -1.050 107.936 108.800 0.310 0.000 2.494 98 G HA2 0.020 3.979 3.960 -0.001 0.000 0.216 98 G HA3 0.020 3.979 3.960 -0.001 0.000 0.216 98 G C 1.386 176.449 174.900 0.273 0.000 1.140 98 G CA 0.859 46.122 45.100 0.271 0.000 0.801 98 G HN 0.623 nan 8.290 nan 0.000 0.536 99 E N -1.255 119.002 120.200 0.095 0.000 2.332 99 E HA 0.403 4.752 4.350 -0.001 0.000 0.202 99 E C 0.830 177.166 176.600 -0.439 0.000 0.877 99 E CA 0.387 56.711 56.400 -0.126 0.000 0.979 99 E CB 1.107 30.639 29.700 -0.281 0.000 0.969 99 E HN 0.345 nan 8.360 nan 0.000 0.495 100 G N 1.094 109.393 108.800 -0.834 0.000 2.301 100 G HA2 0.091 4.050 3.960 -0.001 0.000 0.290 100 G HA3 0.091 4.050 3.960 -0.001 0.000 0.290 100 G C -0.193 174.265 174.900 -0.737 0.000 1.669 100 G CA -0.586 43.734 45.100 -1.300 0.000 0.945 100 G HN 0.155 nan 8.290 nan 0.000 0.710 101 I N -1.515 118.626 120.570 -0.715 0.000 4.139 101 I HA 0.569 4.738 4.170 -0.001 0.000 0.335 101 I C 0.120 176.090 176.117 -0.245 0.000 1.327 101 I CA -0.081 60.982 61.300 -0.396 0.000 1.112 101 I CB 0.370 38.093 38.000 -0.462 0.000 1.058 101 I HN 0.209 nan 8.210 nan 0.000 0.396 102 I N 2.769 123.244 120.570 -0.159 0.000 2.354 102 I HA 0.443 4.612 4.170 -0.001 0.000 0.286 102 I C -0.873 175.374 176.117 0.216 0.000 1.007 102 I CA -0.913 60.420 61.300 0.056 0.000 1.167 102 I CB 2.076 40.123 38.000 0.079 0.000 1.320 102 I HN -0.047 nan 8.210 nan 0.000 0.458 103 V N 9.227 129.318 119.914 0.295 0.000 2.532 103 V HA 0.590 4.709 4.120 -0.001 0.000 0.294 103 V C -2.490 173.686 176.094 0.137 0.000 1.036 103 V CA -1.823 60.582 62.300 0.175 0.000 0.876 103 V CB 2.346 34.203 31.823 0.056 0.000 1.012 103 V HN 0.447 nan 8.190 nan 0.000 0.432 104 P HA 0.432 nan 4.420 nan 0.000 0.274 104 P C -2.928 173.806 177.300 -0.943 0.000 1.237 104 P CA -1.905 60.866 63.100 -0.549 0.000 0.793 104 P CB 0.159 31.775 31.700 -0.139 0.000 0.977 105 P HA 0.053 nan 4.420 nan 0.000 0.272 105 P C -0.035 176.678 177.300 -0.979 0.000 1.223 105 P CA 0.022 62.166 63.100 -1.594 0.000 0.784 105 P CB 0.082 31.221 31.700 -0.935 0.000 0.923 106 S N 0.829 116.054 115.700 -0.793 0.000 2.585 106 S HA 0.335 4.804 4.470 -0.001 0.000 0.273 106 S C 1.530 175.958 174.600 -0.286 0.000 1.339 106 S CA -0.071 57.893 58.200 -0.394 0.000 1.028 106 S CB 0.546 63.628 63.200 -0.197 0.000 0.906 106 S HN 0.541 nan 8.310 nan 0.000 0.528 107 A N 2.020 124.706 122.820 -0.223 0.000 1.940 107 A HA -0.187 4.132 4.320 -0.001 0.000 0.219 107 A C 1.896 179.427 177.584 -0.088 0.000 1.176 107 A CA 1.789 53.736 52.037 -0.150 0.000 0.631 107 A CB -1.127 17.817 19.000 -0.094 0.000 0.814 107 A HN 0.991 nan 8.150 nan 0.000 0.446 108 D N -0.090 120.282 120.400 -0.046 0.000 2.144 108 D HA -0.120 4.519 4.640 -0.001 0.000 0.199 108 D C 1.676 177.975 176.300 -0.001 0.000 0.984 108 D CA 1.590 55.592 54.000 0.005 0.000 0.834 108 D CB -0.967 39.857 40.800 0.040 0.000 0.955 108 D HN 0.246 nan 8.370 nan 0.000 0.465 109 V N 0.526 120.431 119.914 -0.016 0.000 2.591 109 V HA -0.067 4.052 4.120 -0.001 0.000 0.249 109 V C 2.593 178.642 176.094 -0.074 0.000 1.053 109 V CA 0.652 62.977 62.300 0.041 0.000 1.068 109 V CB -0.286 31.604 31.823 0.110 0.000 0.689 109 V HN 0.160 nan 8.190 nan 0.000 0.462 110 I N 0.011 120.466 120.570 -0.190 0.000 2.252 110 I HA -0.207 3.962 4.170 -0.001 0.000 0.245 110 I C 2.255 178.130 176.117 -0.402 0.000 1.102 110 I CA 1.465 62.553 61.300 -0.354 0.000 1.385 110 I CB -0.454 37.327 38.000 -0.365 0.000 1.064 110 I HN 0.297 nan 8.210 nan 0.000 0.414 111 D N 1.284 121.552 120.400 -0.220 0.000 2.092 111 D HA -0.186 4.453 4.640 -0.001 0.000 0.193 111 D C 2.287 178.488 176.300 -0.165 0.000 0.994 111 D CA 1.794 55.717 54.000 -0.130 0.000 0.828 111 D CB -0.345 40.427 40.800 -0.046 0.000 0.963 111 D HN 0.340 nan 8.370 nan 0.000 0.450 112 A N 0.372 123.075 122.820 -0.195 0.000 1.908 112 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 112 A C 2.368 179.424 177.584 -0.880 0.000 1.181 112 A CA 2.295 54.125 52.037 -0.345 0.000 0.627 112 A CB -0.879 18.065 19.000 -0.095 0.000 0.818 112 A HN 0.224 nan 8.150 nan 0.000 0.445 113 S N -1.306 113.836 115.700 -0.930 0.000 2.348 113 S HA -0.216 4.253 4.470 -0.001 0.000 0.221 113 S C 1.889 176.269 174.600 -0.367 0.000 1.033 113 S CA 1.606 59.218 58.200 -0.980 0.000 1.010 113 S CB -0.578 62.403 63.200 -0.365 0.000 0.891 113 S HN 0.777 nan 8.310 nan 0.000 0.442 114 H N 0.125 119.019 119.070 -0.293 0.000 2.387 114 H HA 0.034 4.589 4.556 -0.001 0.000 0.299 114 H C 2.563 177.802 175.328 -0.147 0.000 1.090 114 H CA 1.055 57.009 56.048 -0.157 0.000 1.332 114 H CB 0.027 29.737 29.762 -0.087 0.000 1.386 114 H HN 0.290 nan 8.280 nan 0.000 0.516 115 R N 0.566 121.032 120.500 -0.057 0.000 2.139 115 R HA -0.099 4.240 4.340 -0.001 0.000 0.243 115 R C 1.178 177.432 176.300 -0.077 0.000 1.145 115 R CA 1.037 57.103 56.100 -0.056 0.000 0.976 115 R CB -0.018 30.244 30.300 -0.064 0.000 0.866 115 R HN 0.448 nan 8.270 nan 0.000 0.449 116 N N -0.498 118.096 118.700 -0.176 0.000 2.270 116 N HA 0.023 4.762 4.740 -0.001 0.000 0.198 116 N C 0.581 176.070 175.510 -0.035 0.000 1.117 116 N CA 0.767 53.749 53.050 -0.112 0.000 0.845 116 N CB 1.349 39.725 38.487 -0.184 0.000 0.980 116 N HN 0.344 nan 8.380 nan 0.000 0.486 117 G N 0.800 109.576 108.800 -0.039 0.000 2.160 117 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.251 117 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.251 117 G C -0.076 174.836 174.900 0.020 0.000 1.008 117 G CA 0.087 45.177 45.100 -0.017 0.000 0.724 117 G HN 0.182 nan 8.290 nan 0.000 0.514 118 V N 1.688 121.630 119.914 0.047 0.000 2.350 118 V HA 0.422 4.541 4.120 -0.001 0.000 0.276 118 V C -1.654 174.530 176.094 0.151 0.000 1.028 118 V CA -1.819 60.555 62.300 0.124 0.000 0.860 118 V CB 1.632 33.603 31.823 0.247 0.000 0.990 118 V HN 0.113 nan 8.190 nan 0.000 0.453 119 P HA 0.257 nan 4.420 nan 0.000 0.268 119 P C -0.500 176.903 177.300 0.173 0.000 1.204 119 P CA 0.157 63.347 63.100 0.150 0.000 0.768 119 P CB 0.799 32.551 31.700 0.087 0.000 0.842 120 I N 3.346 124.041 120.570 0.207 0.000 2.465 120 I HA 0.359 4.528 4.170 -0.001 0.000 0.291 120 I C -1.105 175.093 176.117 0.134 0.000 1.014 120 I CA -1.089 60.297 61.300 0.143 0.000 1.093 120 I CB 1.038 39.083 38.000 0.075 0.000 1.267 120 I HN 0.097 nan 8.210 nan 0.000 0.431 121 L N 6.769 128.049 121.223 0.094 0.000 2.334 121 L HA 0.647 4.986 4.340 -0.001 0.000 0.276 121 L C 0.721 177.541 176.870 -0.084 0.000 1.014 121 L CA -0.774 54.121 54.840 0.093 0.000 0.815 121 L CB 1.517 43.708 42.059 0.221 0.000 1.268 121 L HN 0.620 nan 8.230 nan 0.000 0.428 122 G N 0.697 109.288 108.800 -0.348 0.000 2.616 122 G HA2 0.106 4.066 3.960 -0.001 0.000 0.268 122 G HA3 0.106 4.066 3.960 -0.001 0.000 0.268 122 G C -0.669 174.366 174.900 0.225 0.000 1.213 122 G CA -0.381 44.450 45.100 -0.449 0.000 0.926 122 G HN 0.596 nan 8.290 nan 0.000 0.523 123 N N -0.966 117.962 118.700 0.379 0.000 2.342 123 N HA 0.421 5.160 4.740 -0.001 0.000 0.293 123 N C -1.293 174.464 175.510 0.411 0.000 1.026 123 N CA -0.335 52.953 53.050 0.397 0.000 0.857 123 N CB 2.145 40.680 38.487 0.080 0.000 1.256 123 N HN 0.098 nan 8.380 nan 0.000 0.484 124 V N 4.474 124.571 119.914 0.305 0.000 2.350 124 V HA 0.427 4.546 4.120 -0.001 0.000 0.285 124 V C -0.887 175.131 176.094 -0.127 0.000 1.014 124 V CA -0.739 61.550 62.300 -0.017 0.000 0.831 124 V CB 0.770 32.537 31.823 -0.094 0.000 1.000 124 V HN 0.506 nan 8.190 nan 0.000 0.433 125 F N 6.783 126.462 119.950 -0.453 0.000 2.434 125 F HA 0.660 5.187 4.527 -0.001 0.000 0.355 125 F C -0.991 174.580 175.800 -0.382 0.000 1.115 125 F CA -1.914 55.868 58.000 -0.363 0.000 1.010 125 F CB 1.134 39.953 39.000 -0.303 0.000 1.234 125 F HN 0.355 nan 8.300 nan 0.000 0.439 126 F N 7.618 127.418 119.950 -0.249 0.000 2.377 126 F HA 0.436 4.962 4.527 -0.001 0.000 0.360 126 F C -2.187 173.292 175.800 -0.535 0.000 1.147 126 F CA -2.678 55.162 58.000 -0.267 0.000 1.170 126 F CB 0.146 39.103 39.000 -0.071 0.000 1.339 126 F HN 0.311 nan 8.300 nan 0.000 0.552 127 P HA 0.158 nan 4.420 nan 0.000 0.272 127 P C -2.567 174.714 177.300 -0.031 0.000 1.230 127 P CA -1.443 61.293 63.100 -0.608 0.000 0.788 127 P CB 0.166 31.686 31.700 -0.300 0.000 0.949 128 P HA -0.031 nan 4.420 nan 0.000 0.267 128 P C 1.124 178.475 177.300 0.085 0.000 1.200 128 P CA 0.371 63.574 63.100 0.171 0.000 0.772 128 P CB -0.089 31.781 31.700 0.283 0.000 0.855 129 T N -1.652 112.911 114.554 0.015 0.000 2.929 129 T HA -0.123 4.226 4.350 -0.001 0.000 0.271 129 T C 1.498 176.161 174.700 -0.060 0.000 1.085 129 T CA 1.203 63.285 62.100 -0.029 0.000 1.125 129 T CB -1.160 67.679 68.868 -0.049 0.000 0.874 129 T HN 0.092 nan 8.240 nan 0.000 0.494 130 V N -0.248 119.575 119.914 -0.152 0.000 2.594 130 V HA -0.074 4.045 4.120 -0.001 0.000 0.253 130 V C 1.426 177.324 176.094 -0.326 0.000 1.069 130 V CA 1.138 63.247 62.300 -0.319 0.000 1.082 130 V CB -1.029 30.455 31.823 -0.565 0.000 0.680 130 V HN 0.556 nan 8.190 nan 0.000 0.469 131 Y N 0.223 120.590 120.300 0.111 0.000 2.720 131 Y HA 0.582 5.131 4.550 -0.001 0.000 0.277 131 Y C 1.579 177.562 175.900 0.138 0.000 1.144 131 Y CA -0.414 57.767 58.100 0.135 0.000 1.221 131 Y CB 0.252 38.823 38.460 0.186 0.000 1.163 131 Y HN 0.232 nan 8.280 nan 0.000 0.537 132 G N -0.517 108.393 108.800 0.182 0.000 2.141 132 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.242 132 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.242 132 G C 0.699 175.666 174.900 0.111 0.000 0.982 132 G CA -0.199 44.992 45.100 0.151 0.000 0.662 132 G HN 0.788 nan 8.290 nan 0.000 0.527 133 G N -0.517 108.335 108.800 0.087 0.000 2.441 133 G HA2 0.481 4.440 3.960 -0.001 0.000 0.243 133 G HA3 0.481 4.440 3.960 -0.001 0.000 0.243 133 G C -0.126 174.628 174.900 -0.244 0.000 1.281 133 G CA 0.106 45.224 45.100 0.029 0.000 0.854 133 G HN 0.335 nan 8.290 nan 0.000 0.560 134 Q N 1.872 121.369 119.800 -0.505 0.000 2.292 134 Q HA 0.244 4.583 4.340 -0.001 0.000 0.270 134 Q C 1.203 176.982 176.000 -0.368 0.000 1.024 134 Q CA -0.750 54.652 55.803 -0.669 0.000 0.768 134 Q CB 2.214 30.111 28.738 -1.401 0.000 1.250 134 Q HN 0.519 nan 8.270 nan 0.000 0.447 135 L N 1.339 122.421 121.223 -0.235 0.000 2.081 135 L HA -0.270 4.069 4.340 -0.001 0.000 0.212 135 L C 2.233 179.027 176.870 -0.127 0.000 1.080 135 L CA 1.599 56.349 54.840 -0.149 0.000 0.754 135 L CB 0.047 42.031 42.059 -0.125 0.000 0.893 135 L HN 0.791 nan 8.230 nan 0.000 0.433 136 E N -0.358 119.732 120.200 -0.184 0.000 2.086 136 E HA -0.279 4.070 4.350 -0.001 0.000 0.200 136 E C 2.051 178.692 176.600 0.067 0.000 1.012 136 E CA 1.847 58.185 56.400 -0.104 0.000 0.812 136 E CB -0.112 29.485 29.700 -0.171 0.000 0.743 136 E HN 0.458 nan 8.360 nan 0.000 0.453 137 W N 0.454 121.795 121.300 0.069 0.000 2.358 137 W HA -0.162 4.497 4.660 -0.001 0.000 0.303 137 W C 2.274 178.888 176.519 0.157 0.000 1.208 137 W CA 0.400 57.844 57.345 0.166 0.000 1.274 137 W CB -1.346 28.277 29.460 0.270 0.000 1.138 137 W HN 0.272 nan 8.180 nan 0.000 0.515 138 L N 1.267 122.584 121.223 0.157 0.000 2.017 138 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 138 L C 2.253 179.023 176.870 -0.167 0.000 1.073 138 L CA 2.075 56.689 54.840 -0.377 0.000 0.745 138 L CB -1.041 40.656 42.059 -0.603 0.000 0.894 138 L HN -0.180 nan 8.230 nan 0.000 0.432 139 E N -0.404 119.760 120.200 -0.060 0.000 2.153 139 E HA -0.248 4.101 4.350 -0.001 0.000 0.194 139 E C 2.154 178.784 176.600 0.049 0.000 0.988 139 E CA 1.311 57.702 56.400 -0.015 0.000 0.811 139 E CB -0.244 29.448 29.700 -0.013 0.000 0.746 139 E HN 0.691 nan 8.360 nan 0.000 0.466 140 Q N -0.371 119.493 119.800 0.105 0.000 2.046 140 Q HA -0.050 4.289 4.340 -0.001 0.000 0.200 140 Q C 2.185 178.276 176.000 0.152 0.000 0.975 140 Q CA 1.057 56.944 55.803 0.140 0.000 0.836 140 Q CB -0.057 28.803 28.738 0.203 0.000 0.896 140 Q HN 0.196 nan 8.270 nan 0.000 0.428 141 M N 0.086 119.781 119.600 0.158 0.000 2.213 141 M HA -0.106 4.373 4.480 -0.001 0.000 0.263 141 M C 1.727 178.117 176.300 0.149 0.000 1.062 141 M CA 1.327 56.714 55.300 0.145 0.000 1.105 141 M CB -0.454 32.226 32.600 0.134 0.000 1.385 141 M HN 0.242 nan 8.290 nan 0.000 0.417 142 L N -0.480 120.797 121.223 0.090 0.000 2.612 142 L HA 0.066 4.405 4.340 -0.001 0.000 0.230 142 L C 0.353 177.457 176.870 0.390 0.000 1.140 142 L CA -0.245 54.737 54.840 0.238 0.000 0.896 142 L CB -0.268 41.825 42.059 0.057 0.000 1.065 142 L HN 0.223 nan 8.230 nan 0.000 0.447 143 E N 1.291 121.638 120.200 0.246 0.000 2.384 143 E HA 0.066 4.415 4.350 -0.001 0.000 0.266 143 E C -0.117 176.446 176.600 -0.062 0.000 1.012 143 E CA 0.341 56.796 56.400 0.092 0.000 0.901 143 E CB 0.652 30.390 29.700 0.062 0.000 0.967 143 E HN 0.146 nan 8.360 nan 0.000 0.435 144 Q N 2.361 122.006 119.800 -0.259 0.000 2.323 144 Q HA 0.141 4.480 4.340 -0.001 0.000 0.271 144 Q C -0.881 174.912 176.000 -0.344 0.000 1.048 144 Q CA -0.802 54.648 55.803 -0.588 0.000 0.792 144 Q CB 1.313 29.560 28.738 -0.818 0.000 1.280 144 Q HN 0.402 nan 8.270 nan 0.000 0.441 145 E N 1.693 121.693 120.200 -0.334 0.000 2.351 145 E HA 0.012 4.362 4.350 -0.001 0.000 0.255 145 E C 0.313 176.800 176.600 -0.187 0.000 1.188 145 E CA 0.063 56.342 56.400 -0.203 0.000 0.940 145 E CB 0.662 30.267 29.700 -0.158 0.000 1.094 145 E HN 0.678 nan 8.360 nan 0.000 0.474 146 E N 0.496 120.623 120.200 -0.122 0.000 2.150 146 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 146 E C 1.343 177.889 176.600 -0.091 0.000 0.985 146 E CA 0.589 56.931 56.400 -0.096 0.000 0.814 146 E CB 0.058 29.719 29.700 -0.065 0.000 0.752 146 E HN 0.429 nan 8.360 nan 0.000 0.466 147 D N 0.232 120.578 120.400 -0.091 0.000 2.263 147 D HA -0.264 4.376 4.640 -0.001 0.000 0.193 147 D C 1.664 177.902 176.300 -0.103 0.000 1.013 147 D CA 2.232 56.182 54.000 -0.083 0.000 0.892 147 D CB -0.222 40.521 40.800 -0.096 0.000 0.909 147 D HN 0.407 nan 8.370 nan 0.000 0.449 148 G N -0.560 108.130 108.800 -0.182 0.000 2.225 148 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.254 148 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.254 148 G C 0.459 175.110 174.900 -0.414 0.000 0.988 148 G CA 1.047 46.007 45.100 -0.233 0.000 0.625 148 G HN 0.800 nan 8.290 nan 0.000 0.527 149 S N -0.142 115.319 115.700 -0.400 0.000 2.579 149 S HA 0.622 5.091 4.470 -0.001 0.000 0.275 149 S C -0.178 173.928 174.600 -0.822 0.000 1.345 149 S CA -0.219 57.593 58.200 -0.646 0.000 1.031 149 S CB 0.853 63.922 63.200 -0.220 0.000 0.892 149 S HN 0.528 nan 8.310 nan 0.000 0.529 150 F N 2.141 121.535 119.950 -0.927 0.000 2.325 150 F HA 0.395 4.922 4.527 -0.001 0.000 0.369 150 F C -1.788 173.922 175.800 -0.151 0.000 1.095 150 F CA -2.145 55.626 58.000 -0.381 0.000 1.082 150 F CB 1.721 40.544 39.000 -0.295 0.000 1.289 150 F HN 0.427 nan 8.300 nan 0.000 0.462 151 P HA -0.172 nan 4.420 nan 0.000 0.218 151 P C 1.417 178.782 177.300 0.107 0.000 1.148 151 P CA 1.299 64.438 63.100 0.066 0.000 0.822 151 P CB 0.233 31.952 31.700 0.031 0.000 0.784 152 L N -1.773 119.555 121.223 0.175 0.000 2.418 152 L HA 0.086 4.425 4.340 -0.001 0.000 0.218 152 L C 2.327 179.301 176.870 0.174 0.000 1.125 152 L CA 0.893 55.832 54.840 0.165 0.000 0.835 152 L CB -1.194 40.986 42.059 0.202 0.000 0.953 152 L HN -0.104 nan 8.230 nan 0.000 0.454 153 A N -0.418 122.503 122.820 0.169 0.000 1.897 153 A HA -0.149 4.171 4.320 -0.001 0.000 0.215 153 A C 1.956 179.554 177.584 0.023 0.000 1.181 153 A CA 1.432 53.424 52.037 -0.075 0.000 0.620 153 A CB -0.398 18.386 19.000 -0.361 0.000 0.821 153 A HN 0.315 nan 8.150 nan 0.000 0.443 154 D N 0.263 120.744 120.400 0.135 0.000 2.133 154 D HA -0.149 4.490 4.640 -0.001 0.000 0.195 154 D C 1.767 178.095 176.300 0.046 0.000 0.997 154 D CA 1.147 55.208 54.000 0.103 0.000 0.840 154 D CB -0.161 40.712 40.800 0.123 0.000 0.947 154 D HN 0.246 nan 8.370 nan 0.000 0.452 155 K N 0.439 120.852 120.400 0.021 0.000 2.097 155 K HA -0.008 4.311 4.320 -0.001 0.000 0.205 155 K C 2.412 178.970 176.600 -0.070 0.000 1.050 155 K CA 0.177 56.449 56.287 -0.024 0.000 0.938 155 K CB -0.448 32.007 32.500 -0.075 0.000 0.718 155 K HN 0.265 nan 8.250 nan 0.000 0.442 156 L N 0.709 121.855 121.223 -0.127 0.000 2.012 156 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 156 L C 2.434 179.417 176.870 0.188 0.000 1.073 156 L CA 1.161 55.864 54.840 -0.228 0.000 0.748 156 L CB -0.545 41.148 42.059 -0.609 0.000 0.891 156 L HN 0.110 nan 8.230 nan 0.000 0.431 157 L N -0.595 120.694 121.223 0.110 0.000 2.093 157 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 157 L C 2.594 179.525 176.870 0.103 0.000 1.085 157 L CA 1.155 56.075 54.840 0.133 0.000 0.755 157 L CB -0.531 41.557 42.059 0.048 0.000 0.904 157 L HN 0.348 nan 8.230 nan 0.000 0.435 158 E N 0.352 120.609 120.200 0.095 0.000 2.077 158 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 158 E C 2.244 178.943 176.600 0.166 0.000 0.989 158 E CA 1.363 57.833 56.400 0.116 0.000 0.800 158 E CB 0.164 29.932 29.700 0.113 0.000 0.746 158 E HN 0.250 nan 8.360 nan 0.000 0.452 159 V N 1.266 121.270 119.914 0.151 0.000 2.295 159 V HA -0.275 3.845 4.120 -0.001 0.000 0.246 159 V C 2.483 178.600 176.094 0.038 0.000 1.049 159 V CA 1.883 64.236 62.300 0.088 0.000 1.024 159 V CB -0.806 31.121 31.823 0.173 0.000 0.648 159 V HN 0.437 nan 8.190 nan 0.000 0.447 160 A N 0.001 122.733 122.820 -0.146 0.000 1.933 160 A HA -0.308 4.011 4.320 -0.001 0.000 0.218 160 A C 2.034 179.352 177.584 -0.444 0.000 1.175 160 A CA 2.304 53.765 52.037 -0.959 0.000 0.628 160 A CB -0.667 17.897 19.000 -0.726 0.000 0.814 160 A HN 0.653 nan 8.150 nan 0.000 0.444 161 D N -2.382 117.947 120.400 -0.119 0.000 2.123 161 D HA -0.173 4.466 4.640 -0.001 0.000 0.200 161 D C 1.758 178.098 176.300 0.067 0.000 0.976 161 D CA 1.298 55.289 54.000 -0.015 0.000 0.831 161 D CB -0.239 40.582 40.800 0.035 0.000 0.974 161 D HN 0.480 nan 8.370 nan 0.000 0.469 162 Y N -0.639 119.672 120.300 0.019 0.000 2.184 162 Y HA -0.158 4.391 4.550 -0.001 0.000 0.290 162 Y C 1.423 177.454 175.900 0.218 0.000 1.129 162 Y CA 1.443 59.594 58.100 0.086 0.000 1.144 162 Y CB -0.219 38.299 38.460 0.097 0.000 0.995 162 Y HN 0.045 nan 8.280 nan 0.000 0.513 163 Y N 0.139 120.588 120.300 0.248 0.000 2.519 163 Y HA 0.232 4.781 4.550 -0.001 0.000 0.287 163 Y C 1.825 177.780 175.900 0.093 0.000 1.128 163 Y CA 0.237 58.454 58.100 0.195 0.000 1.282 163 Y CB -0.653 38.072 38.460 0.442 0.000 1.027 163 Y HN 0.212 nan 8.280 nan 0.000 0.551 164 G N 0.907 109.810 108.800 0.171 0.000 2.341 164 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.278 164 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.278 164 G C -0.277 174.753 174.900 0.217 0.000 1.111 164 G CA 0.229 45.392 45.100 0.105 0.000 0.982 164 G HN 0.358 nan 8.290 nan 0.000 0.502 165 F N -2.312 117.672 119.950 0.057 0.000 2.679 165 F HA 0.823 5.349 4.527 -0.002 0.000 0.341 165 F C 0.253 176.072 175.800 0.032 0.000 1.095 165 F CA -1.580 56.432 58.000 0.020 0.000 1.004 165 F CB 0.895 39.817 39.000 -0.129 0.000 1.388 165 F HN -0.095 nan 8.300 nan 0.000 0.505 166 D N -0.101 120.422 120.400 0.206 0.000 2.424 166 D HA 0.436 5.076 4.640 -0.001 0.000 0.220 166 D C 0.621 176.994 176.300 0.121 0.000 1.150 166 D CA 0.642 54.718 54.000 0.126 0.000 0.831 166 D CB 0.873 41.783 40.800 0.184 0.000 0.981 166 D HN 0.989 nan 8.370 nan 0.000 0.500 167 G N 0.417 109.239 108.800 0.037 0.000 2.302 167 G HA2 0.106 4.066 3.960 -0.001 0.000 0.264 167 G HA3 0.106 4.066 3.960 -0.001 0.000 0.264 167 G C -2.117 172.768 174.900 -0.026 0.000 1.335 167 G CA -1.110 44.053 45.100 0.105 0.000 0.982 167 G HN 0.094 nan 8.290 nan 0.000 0.473 168 W N -0.904 120.622 121.300 0.376 0.000 3.138 168 W HA 0.653 5.312 4.660 -0.001 0.000 0.331 168 W C -0.946 175.828 176.519 0.425 0.000 1.166 168 W CA -0.802 56.780 57.345 0.396 0.000 1.212 168 W CB 1.949 31.612 29.460 0.338 0.000 1.399 168 W HN 0.517 nan 8.180 nan 0.000 0.514 169 F N 5.296 125.547 119.950 0.502 0.000 2.404 169 F HA 0.601 5.127 4.527 -0.002 0.000 0.354 169 F C -0.490 175.533 175.800 0.371 0.000 1.122 169 F CA -0.849 57.385 58.000 0.389 0.000 1.080 169 F CB 0.444 39.612 39.000 0.279 0.000 1.131 169 F HN 0.028 nan 8.300 nan 0.000 0.471 170 I N 5.802 126.298 120.570 -0.122 0.000 2.330 170 I HA 0.249 4.419 4.170 -0.001 0.000 0.289 170 I C -0.698 175.183 176.117 -0.392 0.000 1.001 170 I CA -0.615 60.673 61.300 -0.021 0.000 1.193 170 I CB 1.071 39.285 38.000 0.357 0.000 1.345 170 I HN 0.555 nan 8.210 nan 0.000 0.461 171 N N 5.525 124.094 118.700 -0.219 0.000 2.623 171 N HA 0.152 4.891 4.740 -0.001 0.000 0.256 171 N C -0.674 174.856 175.510 0.033 0.000 1.045 171 N CA -0.451 52.477 53.050 -0.204 0.000 0.863 171 N CB 1.044 39.538 38.487 0.011 0.000 1.182 171 N HN 0.468 nan 8.380 nan 0.000 0.523 172 Q N 2.397 122.121 119.800 -0.127 0.000 2.406 172 Q HA 0.296 4.635 4.340 -0.001 0.000 0.242 172 Q C -0.537 175.474 176.000 0.017 0.000 1.036 172 Q CA 0.307 56.154 55.803 0.073 0.000 0.904 172 Q CB 0.631 29.375 28.738 0.008 0.000 1.244 172 Q HN 0.389 nan 8.270 nan 0.000 0.478 173 E N 2.656 122.924 120.200 0.113 0.000 2.583 173 E HA 0.139 4.488 4.350 -0.001 0.000 0.213 173 E C -0.530 176.124 176.600 0.090 0.000 0.989 173 E CA -0.017 56.463 56.400 0.134 0.000 0.991 173 E CB 0.898 30.764 29.700 0.276 0.000 1.040 173 E HN 0.513 nan 8.360 nan 0.000 0.481 174 T N 2.524 117.108 114.554 0.050 0.000 2.729 174 T HA 0.216 4.566 4.350 -0.001 0.000 0.296 174 T C 0.210 174.893 174.700 -0.029 0.000 0.928 174 T CA -0.271 61.837 62.100 0.014 0.000 1.045 174 T CB 0.886 69.760 68.868 0.011 0.000 0.902 174 T HN -0.073 nan 8.240 nan 0.000 0.500 175 E N 1.269 121.454 120.200 -0.026 0.000 2.392 175 E HA 0.465 4.814 4.350 -0.001 0.000 0.259 175 E C 1.390 177.959 176.600 -0.052 0.000 1.108 175 E CA 0.527 56.901 56.400 -0.043 0.000 0.916 175 E CB 0.217 29.899 29.700 -0.030 0.000 0.989 175 E HN 0.827 nan 8.360 nan 0.000 0.432 176 G N -0.183 108.586 108.800 -0.051 0.000 2.159 176 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.227 176 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.227 176 G C 0.262 175.133 174.900 -0.049 0.000 0.986 176 G CA -0.194 44.877 45.100 -0.049 0.000 0.651 176 G HN 0.758 nan 8.290 nan 0.000 0.523 177 A N 0.407 123.197 122.820 -0.050 0.000 2.340 177 A HA 0.630 4.949 4.320 -0.001 0.000 0.268 177 A C 0.496 178.066 177.584 -0.023 0.000 1.100 177 A CA 0.571 52.582 52.037 -0.043 0.000 0.803 177 A CB 0.440 19.412 19.000 -0.047 0.000 1.043 177 A HN 0.796 nan 8.150 nan 0.000 0.488 178 D N 0.109 120.499 120.400 -0.016 0.000 2.549 178 D HA 0.213 4.852 4.640 -0.001 0.000 0.270 178 D C 0.737 177.042 176.300 0.008 0.000 1.181 178 D CA -0.386 53.610 54.000 -0.006 0.000 1.070 178 D CB 0.313 41.107 40.800 -0.010 0.000 1.154 178 D HN 0.563 nan 8.370 nan 0.000 0.602 179 E N -0.660 119.545 120.200 0.009 0.000 2.153 179 E HA -0.100 4.250 4.350 -0.001 0.000 0.194 179 E C 1.992 178.599 176.600 0.010 0.000 0.988 179 E CA 1.439 57.847 56.400 0.015 0.000 0.811 179 E CB -0.621 29.084 29.700 0.008 0.000 0.746 179 E HN 0.615 nan 8.360 nan 0.000 0.466 180 G N -0.311 108.492 108.800 0.005 0.000 2.418 180 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.217 180 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.217 180 G C 1.624 176.532 174.900 0.014 0.000 1.158 180 G CA 1.291 46.395 45.100 0.007 0.000 0.771 180 G HN 0.282 nan 8.290 nan 0.000 0.545 181 T N 1.758 116.317 114.554 0.008 0.000 2.746 181 T HA 0.008 4.357 4.350 -0.001 0.000 0.267 181 T C 2.823 177.538 174.700 0.026 0.000 1.039 181 T CA 1.527 63.629 62.100 0.003 0.000 1.142 181 T CB -0.416 68.438 68.868 -0.024 0.000 0.866 181 T HN 0.378 nan 8.240 nan 0.000 0.444 182 A N 1.768 124.618 122.820 0.051 0.000 1.883 182 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 182 A C 2.214 179.819 177.584 0.035 0.000 1.186 182 A CA 1.871 53.975 52.037 0.112 0.000 0.624 182 A CB -0.660 18.423 19.000 0.137 0.000 0.822 182 A HN 0.588 nan 8.150 nan 0.000 0.444 183 E N -0.390 119.808 120.200 -0.004 0.000 2.110 183 E HA -0.087 4.263 4.350 -0.001 0.000 0.193 183 E C 2.285 178.892 176.600 0.011 0.000 0.988 183 E CA 0.915 57.296 56.400 -0.032 0.000 0.804 183 E CB -0.288 29.401 29.700 -0.017 0.000 0.745 183 E HN 0.633 nan 8.360 nan 0.000 0.458 184 A N 0.973 123.825 122.820 0.054 0.000 1.902 184 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 184 A C 2.127 179.754 177.584 0.071 0.000 1.181 184 A CA 1.521 53.635 52.037 0.128 0.000 0.623 184 A CB -0.420 18.665 19.000 0.141 0.000 0.818 184 A HN 0.208 nan 8.150 nan 0.000 0.443 185 M N -0.035 119.577 119.600 0.020 0.000 2.080 185 M HA -0.223 4.256 4.480 -0.001 0.000 0.260 185 M C 2.123 178.415 176.300 -0.013 0.000 1.068 185 M CA 2.122 57.421 55.300 -0.001 0.000 1.109 185 M CB -0.593 32.056 32.600 0.082 0.000 1.342 185 M HN 0.526 nan 8.290 nan 0.000 0.405 186 Q N -0.553 119.195 119.800 -0.085 0.000 2.096 186 Q HA -0.131 4.208 4.340 -0.001 0.000 0.204 186 Q C 2.136 178.081 176.000 -0.091 0.000 0.982 186 Q CA 1.807 57.493 55.803 -0.195 0.000 0.850 186 Q CB -0.486 28.049 28.738 -0.338 0.000 0.901 186 Q HN 0.713 nan 8.270 nan 0.000 0.422 187 A N 0.416 123.221 122.820 -0.026 0.000 1.930 187 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 187 A C 1.869 179.378 177.584 -0.125 0.000 1.175 187 A CA 1.026 53.092 52.037 0.048 0.000 0.627 187 A CB -0.782 18.360 19.000 0.236 0.000 0.815 187 A HN 0.463 nan 8.150 nan 0.000 0.443 188 F N 0.613 120.171 119.950 -0.654 0.000 2.095 188 F HA -0.179 4.347 4.527 -0.001 0.000 0.298 188 F C 1.915 177.522 175.800 -0.322 0.000 1.104 188 F CA 1.897 59.307 58.000 -0.983 0.000 1.232 188 F CB -0.173 38.353 39.000 -0.789 0.000 0.987 188 F HN 0.150 nan 8.300 nan 0.000 0.475 189 L N -0.718 120.540 121.223 0.058 0.000 2.056 189 L HA -0.210 4.129 4.340 -0.001 0.000 0.207 189 L C 2.344 179.198 176.870 -0.026 0.000 1.078 189 L CA 0.892 55.764 54.840 0.053 0.000 0.749 189 L CB -0.850 41.230 42.059 0.034 0.000 0.901 189 L HN 0.019 nan 8.230 nan 0.000 0.433 190 V N -1.008 118.889 119.914 -0.029 0.000 2.407 190 V HA -0.326 3.793 4.120 -0.001 0.000 0.248 190 V C 2.239 178.340 176.094 0.013 0.000 1.055 190 V CA 1.769 64.065 62.300 -0.008 0.000 1.049 190 V CB -0.650 31.179 31.823 0.010 0.000 0.662 190 V HN 0.397 nan 8.190 nan 0.000 0.455 191 Y N 0.162 120.394 120.300 -0.112 0.000 2.128 191 Y HA -0.244 4.305 4.550 -0.001 0.000 0.284 191 Y C 2.235 178.054 175.900 -0.135 0.000 1.154 191 Y CA 1.524 59.569 58.100 -0.091 0.000 1.149 191 Y CB -0.319 38.108 38.460 -0.055 0.000 0.976 191 Y HN 0.119 nan 8.280 nan 0.000 0.505 192 L N 0.561 121.646 121.223 -0.230 0.000 2.013 192 L HA -0.291 4.048 4.340 -0.001 0.000 0.212 192 L C 2.405 179.183 176.870 -0.155 0.000 1.073 192 L CA 1.793 56.497 54.840 -0.226 0.000 0.753 192 L CB -1.397 40.582 42.059 -0.133 0.000 0.890 192 L HN 0.338 nan 8.230 nan 0.000 0.432 193 Q N -0.476 119.266 119.800 -0.097 0.000 2.124 193 Q HA -0.205 4.134 4.340 -0.001 0.000 0.202 193 Q C 2.154 178.103 176.000 -0.086 0.000 0.977 193 Q CA 1.458 57.225 55.803 -0.061 0.000 0.850 193 Q CB -0.180 28.538 28.738 -0.032 0.000 0.901 193 Q HN 0.625 nan 8.270 nan 0.000 0.429 194 E N 0.012 120.136 120.200 -0.128 0.000 2.072 194 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 194 E C 1.976 178.463 176.600 -0.188 0.000 0.985 194 E CA 0.742 57.059 56.400 -0.137 0.000 0.801 194 E CB 0.164 29.795 29.700 -0.116 0.000 0.750 194 E HN 0.292 nan 8.360 nan 0.000 0.452 195 Q N 0.902 120.517 119.800 -0.309 0.000 2.376 195 Q HA 0.018 4.357 4.340 -0.001 0.000 0.206 195 Q C 0.528 176.432 176.000 -0.161 0.000 0.921 195 Q CA 0.291 55.919 55.803 -0.291 0.000 0.911 195 Q CB 0.025 28.449 28.738 -0.523 0.000 1.032 195 Q HN 0.258 nan 8.270 nan 0.000 0.510 196 K N 2.191 122.518 120.400 -0.122 0.000 2.440 196 K HA 0.173 4.492 4.320 -0.001 0.000 0.270 196 K C -2.330 174.255 176.600 -0.025 0.000 0.980 196 K CA -1.081 55.179 56.287 -0.044 0.000 0.953 196 K CB -0.230 32.269 32.500 -0.002 0.000 0.925 196 K HN -0.230 nan 8.250 nan 0.000 0.497 197 P HA -0.023 nan 4.420 nan 0.000 0.272 197 P C -0.789 176.519 177.300 0.013 0.000 1.230 197 P CA -0.350 62.750 63.100 0.001 0.000 0.788 197 P CB 0.533 32.235 31.700 0.004 0.000 0.949 198 E N 0.629 120.837 120.200 0.013 0.000 2.452 198 E HA 0.166 4.515 4.350 -0.001 0.000 0.261 198 E C 1.033 177.654 176.600 0.035 0.000 0.987 198 E CA 1.004 57.418 56.400 0.024 0.000 0.926 198 E CB -0.324 29.388 29.700 0.020 0.000 0.934 198 E HN 0.765 nan 8.360 nan 0.000 0.452 199 G N 3.775 112.607 108.800 0.054 0.000 2.241 199 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.244 199 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.244 199 G C 0.372 175.333 174.900 0.101 0.000 0.998 199 G CA 0.310 45.452 45.100 0.071 0.000 0.621 199 G HN 0.587 nan 8.290 nan 0.000 0.519 200 M N 1.213 120.868 119.600 0.091 0.000 2.245 200 M HA 0.558 5.037 4.480 -0.001 0.000 0.344 200 M C 0.122 176.531 176.300 0.182 0.000 1.170 200 M CA -0.162 55.212 55.300 0.124 0.000 1.135 200 M CB 0.415 33.070 32.600 0.092 0.000 1.574 200 M HN 0.366 nan 8.290 nan 0.000 0.452 201 H N 4.563 123.718 119.070 0.141 0.000 2.489 201 H HA 0.513 5.069 4.556 -0.001 0.000 0.343 201 H C -1.460 174.012 175.328 0.240 0.000 1.086 201 H CA -0.744 55.411 56.048 0.180 0.000 1.198 201 H CB 0.982 30.850 29.762 0.177 0.000 1.490 201 H HN 0.564 nan 8.280 nan 0.000 0.504 202 I N 6.185 126.788 120.570 0.056 0.000 2.382 202 I HA 0.217 4.386 4.170 -0.001 0.000 0.285 202 I C -0.427 175.836 176.117 0.245 0.000 1.007 202 I CA -0.459 60.989 61.300 0.247 0.000 1.142 202 I CB 0.993 39.122 38.000 0.214 0.000 1.289 202 I HN 0.692 nan 8.210 nan 0.000 0.453 203 M N 6.919 126.799 119.600 0.467 0.000 2.268 203 M HA 0.403 4.882 4.480 -0.001 0.000 0.344 203 M C -1.551 174.957 176.300 0.347 0.000 1.106 203 M CA -0.423 55.171 55.300 0.491 0.000 1.010 203 M CB 2.318 35.319 32.600 0.669 0.000 1.649 203 M HN 0.701 nan 8.290 nan 0.000 0.443 204 W N 5.881 127.263 121.300 0.136 0.000 2.529 204 W HA 0.323 4.982 4.660 -0.002 0.000 0.321 204 W C -2.133 174.418 176.519 0.055 0.000 1.047 204 W CA -0.836 56.531 57.345 0.036 0.000 1.216 204 W CB 0.859 30.384 29.460 0.109 0.000 1.357 204 W HN 0.717 nan 8.180 nan 0.000 0.489 205 Y N 4.681 124.485 120.300 -0.826 0.000 2.346 205 Y HA -0.004 4.545 4.550 -0.001 0.000 0.330 205 Y C 0.863 176.364 175.900 -0.665 0.000 1.178 205 Y CA 0.589 58.379 58.100 -0.517 0.000 1.331 205 Y CB 0.680 38.893 38.460 -0.411 0.000 1.253 205 Y HN 0.460 nan 8.280 nan 0.000 0.529 206 D N 3.181 123.396 120.400 -0.309 0.000 2.540 206 D HA 0.049 4.688 4.640 -0.001 0.000 0.237 206 D C 0.027 176.436 176.300 0.182 0.000 1.181 206 D CA 0.724 54.697 54.000 -0.045 0.000 1.119 206 D CB -0.077 40.673 40.800 -0.083 0.000 1.119 206 D HN 0.585 nan 8.370 nan 0.000 0.498 207 S N 2.742 118.484 115.700 0.070 0.000 3.884 207 S HA 0.151 4.620 4.470 -0.001 0.000 0.174 207 S C 0.744 175.226 174.600 -0.196 0.000 0.872 207 S CA -0.636 57.538 58.200 -0.043 0.000 1.015 207 S CB -0.416 62.810 63.200 0.044 0.000 1.395 207 S HN 0.348 nan 8.310 nan 0.000 0.737 208 M N 3.549 123.068 119.600 -0.134 0.000 2.268 208 M HA 0.365 4.845 4.480 -0.001 0.000 0.349 208 M C -0.118 176.171 176.300 -0.017 0.000 1.485 208 M CA -0.491 54.772 55.300 -0.062 0.000 1.094 208 M CB 0.182 32.801 32.600 0.032 0.000 1.843 208 M HN 0.616 nan 8.290 nan 0.000 0.460 209 I N 1.896 122.500 120.570 0.056 0.000 3.640 209 I HA 0.331 4.501 4.170 -0.001 0.000 0.288 209 I C 0.833 177.147 176.117 0.328 0.000 1.248 209 I CA -0.845 60.571 61.300 0.194 0.000 0.911 209 I CB 0.337 38.406 38.000 0.115 0.000 1.533 209 I HN 0.702 nan 8.210 nan 0.000 0.686 210 D N -0.066 120.499 120.400 0.276 0.000 2.221 210 D HA -0.230 4.409 4.640 -0.001 0.000 0.204 210 D C 1.787 178.150 176.300 0.105 0.000 0.982 210 D CA 2.061 56.160 54.000 0.166 0.000 0.857 210 D CB -1.139 39.701 40.800 0.066 0.000 0.934 210 D HN 0.845 nan 8.370 nan 0.000 0.475 211 T N -4.603 110.003 114.554 0.087 0.000 3.088 211 T HA 0.354 4.703 4.350 -0.001 0.000 0.259 211 T C 1.826 176.554 174.700 0.047 0.000 1.122 211 T CA 0.885 63.015 62.100 0.049 0.000 1.095 211 T CB 0.059 68.946 68.868 0.031 0.000 0.930 211 T HN 0.449 nan 8.240 nan 0.000 0.508 212 G N 1.219 110.063 108.800 0.073 0.000 2.254 212 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.225 212 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.225 212 G C 0.417 175.318 174.900 0.003 0.000 1.003 212 G CA -0.139 44.990 45.100 0.048 0.000 0.622 212 G HN 1.177 nan 8.290 nan 0.000 0.507 213 A N 0.206 123.019 122.820 -0.011 0.000 2.483 213 A HA 0.614 4.934 4.320 -0.001 0.000 0.238 213 A C 0.424 177.936 177.584 -0.120 0.000 1.070 213 A CA 0.372 52.375 52.037 -0.057 0.000 0.770 213 A CB 0.165 19.139 19.000 -0.044 0.000 1.008 213 A HN 0.848 nan 8.150 nan 0.000 0.497 214 I N 1.738 122.183 120.570 -0.210 0.000 2.291 214 I HA 0.420 4.589 4.170 -0.001 0.000 0.292 214 I C 0.538 176.299 176.117 -0.593 0.000 1.064 214 I CA 0.683 61.724 61.300 -0.432 0.000 1.269 214 I CB 0.958 38.680 38.000 -0.464 0.000 1.418 214 I HN 0.637 nan 8.210 nan 0.000 0.485 215 A N 8.014 130.528 122.820 -0.509 0.000 2.599 215 A HA 0.401 4.720 4.320 -0.001 0.000 0.281 215 A C -1.012 176.483 177.584 -0.149 0.000 1.137 215 A CA -0.587 51.284 52.037 -0.277 0.000 0.767 215 A CB 0.508 19.468 19.000 -0.068 0.000 1.266 215 A HN 0.612 nan 8.150 nan 0.000 0.420 216 W N 2.085 123.490 121.300 0.174 0.000 2.253 216 W HA 0.178 4.837 4.660 -0.001 0.000 0.322 216 W C 0.359 176.964 176.519 0.144 0.000 1.342 216 W CA -0.310 57.113 57.345 0.130 0.000 1.218 216 W CB 0.637 30.151 29.460 0.090 0.000 1.205 216 W HN 0.715 nan 8.180 nan 0.000 0.551 217 Q N 1.526 121.493 119.800 0.279 0.000 2.373 217 Q HA -0.077 4.262 4.340 -0.001 0.000 0.210 217 Q C 0.823 176.936 176.000 0.188 0.000 0.913 217 Q CA 0.524 56.467 55.803 0.234 0.000 0.911 217 Q CB 0.103 28.954 28.738 0.189 0.000 1.040 217 Q HN 0.569 nan 8.270 nan 0.000 0.521 218 N N 0.047 118.776 118.700 0.047 0.000 2.900 218 N HA -0.192 4.547 4.740 -0.001 0.000 0.240 218 N C -0.492 174.711 175.510 -0.511 0.000 0.953 218 N CA 1.411 54.358 53.050 -0.171 0.000 0.950 218 N CB -1.159 37.292 38.487 -0.059 0.000 1.102 218 N HN 0.474 nan 8.380 nan 0.000 0.593 219 H N -1.292 117.777 119.070 -0.002 0.000 2.960 219 H HA 0.550 5.105 4.556 -0.001 0.000 0.323 219 H C -0.763 174.546 175.328 -0.032 0.000 1.326 219 H CA -0.852 55.159 56.048 -0.062 0.000 1.124 219 H CB 0.935 30.680 29.762 -0.028 0.000 1.853 219 H HN -0.011 nan 8.280 nan 0.000 0.536 220 L N 2.327 123.605 121.223 0.091 0.000 2.315 220 L HA 0.409 4.748 4.340 -0.001 0.000 0.283 220 L C 0.025 176.938 176.870 0.070 0.000 1.089 220 L CA 0.406 55.287 54.840 0.069 0.000 0.833 220 L CB -0.186 41.886 42.059 0.022 0.000 1.170 220 L HN 0.864 nan 8.230 nan 0.000 0.442 221 T N -0.495 114.112 114.554 0.088 0.000 2.831 221 T HA 0.380 4.729 4.350 -0.001 0.000 0.287 221 T C 0.525 175.263 174.700 0.064 0.000 1.070 221 T CA -0.644 61.497 62.100 0.068 0.000 1.010 221 T CB 0.975 69.898 68.868 0.091 0.000 1.264 221 T HN 0.427 nan 8.240 nan 0.000 0.532 222 D N -0.296 120.132 120.400 0.047 0.000 2.264 222 D HA 0.016 4.655 4.640 -0.001 0.000 0.208 222 D C 1.954 178.290 176.300 0.060 0.000 0.966 222 D CA 0.500 54.524 54.000 0.040 0.000 0.864 222 D CB 0.086 40.900 40.800 0.024 0.000 0.933 222 D HN 0.310 nan 8.370 nan 0.000 0.499 223 R N 0.813 121.364 120.500 0.084 0.000 2.193 223 R HA -0.009 4.330 4.340 -0.001 0.000 0.213 223 R C 1.196 177.604 176.300 0.179 0.000 1.055 223 R CA 0.705 56.871 56.100 0.111 0.000 0.995 223 R CB -0.172 30.192 30.300 0.107 0.000 0.893 223 R HN 0.338 nan 8.270 nan 0.000 0.459 224 N N -0.180 118.637 118.700 0.195 0.000 2.166 224 N HA -0.063 4.676 4.740 -0.001 0.000 0.213 224 N C 1.128 176.802 175.510 0.274 0.000 1.222 224 N CA 0.112 53.352 53.050 0.317 0.000 0.900 224 N CB -0.096 38.568 38.487 0.294 0.000 1.055 224 N HN 0.139 nan 8.380 nan 0.000 0.515 225 K N 1.159 121.642 120.400 0.139 0.000 2.152 225 K HA -0.129 4.190 4.320 -0.001 0.000 0.206 225 K C 1.731 178.340 176.600 0.015 0.000 1.048 225 K CA 1.608 57.940 56.287 0.075 0.000 0.933 225 K CB -0.432 32.089 32.500 0.036 0.000 0.721 225 K HN 0.206 nan 8.250 nan 0.000 0.447 226 M N -0.419 119.146 119.600 -0.059 0.000 2.632 226 M HA -0.036 4.443 4.480 -0.001 0.000 0.256 226 M C 0.394 176.463 176.300 -0.385 0.000 1.080 226 M CA 1.369 56.534 55.300 -0.224 0.000 1.084 226 M CB -0.900 31.518 32.600 -0.304 0.000 1.439 226 M HN 0.101 nan 8.290 nan 0.000 0.509 227 Y N 0.116 120.299 120.300 -0.194 0.000 2.482 227 Y HA 0.174 4.723 4.550 -0.002 0.000 0.270 227 Y C 1.976 177.715 175.900 -0.268 0.000 1.152 227 Y CA 0.241 58.088 58.100 -0.422 0.000 1.292 227 Y CB 0.038 38.000 38.460 -0.831 0.000 1.070 227 Y HN 0.284 nan 8.280 nan 0.000 0.528 228 L N -0.764 120.465 121.223 0.010 0.000 2.453 228 L HA 0.278 4.617 4.340 -0.001 0.000 0.190 228 L C -0.056 176.819 176.870 0.007 0.000 1.093 228 L CA 0.891 55.760 54.840 0.047 0.000 0.834 228 L CB 0.349 42.464 42.059 0.094 0.000 1.090 228 L HN 0.023 nan 8.230 nan 0.000 0.489 229 Q N -0.103 119.690 119.800 -0.012 0.000 2.309 229 Q HA 0.394 4.733 4.340 -0.001 0.000 0.273 229 Q C -1.628 174.346 176.000 -0.044 0.000 1.040 229 Q CA -0.337 55.453 55.803 -0.020 0.000 0.834 229 Q CB 1.396 30.134 28.738 0.000 0.000 1.345 229 Q HN 0.156 nan 8.270 nan 0.000 0.414 230 N N 2.522 121.192 118.700 -0.051 0.000 2.682 230 N HA 0.487 5.227 4.740 -0.001 0.000 0.252 230 N C 0.179 175.667 175.510 -0.037 0.000 1.081 230 N CA 1.053 54.068 53.050 -0.058 0.000 0.844 230 N CB 0.890 39.325 38.487 -0.086 0.000 1.167 230 N HN 0.878 nan 8.380 nan 0.000 0.523 231 G N 2.495 111.279 108.800 -0.027 0.000 2.602 231 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.310 231 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.310 231 G C 0.822 175.715 174.900 -0.012 0.000 1.183 231 G CA 0.897 45.986 45.100 -0.018 0.000 0.979 231 G HN 1.023 nan 8.290 nan 0.000 0.545 232 S N -0.396 115.298 115.700 -0.010 0.000 2.575 232 S HA 0.405 4.874 4.470 -0.001 0.000 0.215 232 S C 0.818 175.415 174.600 -0.005 0.000 0.966 232 S CA 1.278 59.475 58.200 -0.004 0.000 0.911 232 S CB 0.213 63.412 63.200 -0.002 0.000 0.780 232 S HN 0.939 nan 8.310 nan 0.000 0.514 233 T N 3.292 117.838 114.554 -0.013 0.000 2.729 233 T HA 0.298 4.647 4.350 -0.001 0.000 0.296 233 T C -0.168 174.522 174.700 -0.017 0.000 0.928 233 T CA -0.446 61.645 62.100 -0.015 0.000 1.045 233 T CB 0.772 69.627 68.868 -0.022 0.000 0.902 233 T HN 0.339 nan 8.240 nan 0.000 0.500 234 R N 3.318 123.813 120.500 -0.009 0.000 2.316 234 R HA 0.278 4.617 4.340 -0.001 0.000 0.314 234 R C 0.445 176.735 176.300 -0.017 0.000 1.069 234 R CA -0.143 55.953 56.100 -0.006 0.000 0.959 234 R CB 0.280 30.583 30.300 0.004 0.000 0.987 234 R HN 0.487 nan 8.270 nan 0.000 0.446 235 V N 3.386 123.286 119.914 -0.024 0.000 2.788 235 V HA 0.288 4.407 4.120 -0.001 0.000 0.241 235 V C 0.411 176.498 176.094 -0.012 0.000 1.083 235 V CA 1.198 63.471 62.300 -0.044 0.000 1.103 235 V CB 0.440 32.201 31.823 -0.102 0.000 0.800 235 V HN 0.865 nan 8.190 nan 0.000 0.476 236 A N -0.874 121.956 122.820 0.017 0.000 2.587 236 A HA 0.498 4.817 4.320 -0.001 0.000 0.293 236 A C -0.039 177.571 177.584 0.044 0.000 1.087 236 A CA -0.301 51.772 52.037 0.060 0.000 0.692 236 A CB 1.067 20.149 19.000 0.136 0.000 1.291 236 A HN 0.109 nan 8.150 nan 0.000 0.407 237 D N 0.374 120.757 120.400 -0.028 0.000 2.269 237 D HA 0.054 4.694 4.640 -0.001 0.000 0.208 237 D C 0.655 176.991 176.300 0.059 0.000 0.963 237 D CA 2.034 55.961 54.000 -0.121 0.000 0.864 237 D CB 0.230 40.687 40.800 -0.571 0.000 0.936 237 D HN 0.745 nan 8.370 nan 0.000 0.505 238 S N -1.100 114.715 115.700 0.191 0.000 2.615 238 S HA 0.491 4.961 4.470 -0.001 0.000 0.268 238 S C -1.051 173.806 174.600 0.429 0.000 1.146 238 S CA -1.046 57.403 58.200 0.415 0.000 0.818 238 S CB 2.454 66.094 63.200 0.733 0.000 1.111 238 S HN 0.011 nan 8.310 nan 0.000 0.465 239 M N 1.980 121.845 119.600 0.441 0.000 2.327 239 M HA 0.608 5.087 4.480 -0.001 0.000 0.298 239 M C -2.123 174.396 176.300 0.364 0.000 1.065 239 M CA -0.768 54.769 55.300 0.394 0.000 0.916 239 M CB 1.639 34.425 32.600 0.311 0.000 1.630 239 M HN 0.817 nan 8.290 nan 0.000 0.442 240 F N 5.558 125.590 119.950 0.137 0.000 2.404 240 F HA 0.410 4.937 4.527 -0.001 0.000 0.358 240 F C -1.177 174.416 175.800 -0.345 0.000 1.120 240 F CA -0.591 57.402 58.000 -0.012 0.000 1.144 240 F CB 0.564 39.610 39.000 0.077 0.000 1.133 240 F HN 0.397 nan 8.300 nan 0.000 0.495 241 L N 5.874 126.773 121.223 -0.540 0.000 2.331 241 L HA 0.188 4.527 4.340 -0.001 0.000 0.278 241 L C 0.297 176.777 176.870 -0.651 0.000 1.106 241 L CA -0.205 54.342 54.840 -0.488 0.000 0.824 241 L CB 0.419 42.215 42.059 -0.439 0.000 1.142 241 L HN 0.625 nan 8.230 nan 0.000 0.443 242 N N 1.437 119.796 118.700 -0.569 0.000 2.340 242 N HA -0.014 4.725 4.740 -0.001 0.000 0.236 242 N C 0.808 175.931 175.510 -0.646 0.000 1.296 242 N CA 0.316 52.894 53.050 -0.787 0.000 0.896 242 N CB 0.385 38.540 38.487 -0.554 0.000 1.127 242 N HN 0.406 nan 8.380 nan 0.000 0.442 243 F N -0.641 118.944 119.950 -0.609 0.000 2.407 243 F HA 0.059 4.585 4.527 -0.002 0.000 0.299 243 F C 0.525 176.020 175.800 -0.509 0.000 1.097 243 F CA -0.027 57.659 58.000 -0.524 0.000 1.422 243 F CB 0.066 38.708 39.000 -0.596 0.000 1.067 243 F HN 0.359 nan 8.300 nan 0.000 0.539 244 W N 2.798 124.109 121.300 0.019 0.000 1.518 244 W HA 0.161 4.820 4.660 -0.002 0.000 0.426 244 W C -0.290 176.209 176.519 -0.034 0.000 0.675 244 W CA -1.366 55.938 57.345 -0.068 0.000 1.936 244 W CB -1.338 28.120 29.460 -0.002 0.000 1.749 244 W HN 0.145 nan 8.180 nan 0.000 0.247 245 W N 1.105 122.410 121.300 0.008 0.000 2.882 245 W HA 0.532 5.191 4.660 -0.002 0.000 0.345 245 W C 0.154 176.677 176.519 0.007 0.000 1.125 245 W CA -1.137 56.171 57.345 -0.063 0.000 1.167 245 W CB 0.675 29.943 29.460 -0.320 0.000 1.431 245 W HN -0.151 nan 8.180 nan 0.000 0.543 246 R N 0.262 120.989 120.500 0.378 0.000 2.369 246 R HA 0.185 4.525 4.340 -0.001 0.000 0.210 246 R C -0.898 175.675 176.300 0.454 0.000 0.881 246 R CA 0.162 56.406 56.100 0.240 0.000 1.031 246 R CB 0.274 30.642 30.300 0.115 0.000 1.184 246 R HN 0.616 nan 8.270 nan 0.000 0.581 247 D N -0.609 120.090 120.400 0.498 0.000 2.753 247 D HA 0.238 4.877 4.640 -0.001 0.000 0.224 247 D C -0.227 176.156 176.300 0.139 0.000 1.213 247 D CA -0.237 53.925 54.000 0.271 0.000 0.833 247 D CB 1.480 42.351 40.800 0.119 0.000 1.607 247 D HN -0.337 nan 8.370 nan 0.000 0.463 248 Q N 1.591 121.323 119.800 -0.113 0.000 2.139 248 Q HA 0.149 4.488 4.340 -0.001 0.000 0.219 248 Q C 1.248 176.971 176.000 -0.461 0.000 0.805 248 Q CA -0.086 55.567 55.803 -0.250 0.000 1.024 248 Q CB 0.729 29.221 28.738 -0.410 0.000 1.163 248 Q HN 0.523 nan 8.270 nan 0.000 0.485 249 R N 1.392 121.433 120.500 -0.766 0.000 2.073 249 R HA -0.215 4.124 4.340 -0.001 0.000 0.234 249 R C 1.833 177.905 176.300 -0.381 0.000 1.134 249 R CA 2.257 57.849 56.100 -0.847 0.000 0.952 249 R CB 0.296 30.200 30.300 -0.660 0.000 0.850 249 R HN 0.207 nan 8.270 nan 0.000 0.433 250 Q N -0.596 119.028 119.800 -0.293 0.000 2.224 250 Q HA 0.009 4.349 4.340 -0.001 0.000 0.203 250 Q C 1.827 177.723 176.000 -0.174 0.000 0.970 250 Q CA 1.801 57.476 55.803 -0.213 0.000 0.865 250 Q CB -0.082 28.521 28.738 -0.225 0.000 0.922 250 Q HN 0.094 nan 8.270 nan 0.000 0.445 251 S N 1.089 116.685 115.700 -0.172 0.000 2.355 251 S HA -0.146 4.323 4.470 -0.001 0.000 0.222 251 S C 1.729 176.241 174.600 -0.146 0.000 1.031 251 S CA 0.994 59.121 58.200 -0.122 0.000 0.993 251 S CB -0.484 62.650 63.200 -0.110 0.000 0.859 251 S HN 0.573 nan 8.310 nan 0.000 0.453 252 N N 1.455 120.041 118.700 -0.189 0.000 2.069 252 N HA -0.188 4.551 4.740 -0.001 0.000 0.191 252 N C 1.537 176.965 175.510 -0.138 0.000 1.031 252 N CA 1.611 54.549 53.050 -0.187 0.000 0.852 252 N CB -0.219 38.168 38.487 -0.166 0.000 1.018 252 N HN 0.502 nan 8.380 nan 0.000 0.423 253 E N -0.035 120.090 120.200 -0.124 0.000 2.077 253 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 253 E C 1.938 178.495 176.600 -0.072 0.000 0.989 253 E CA 0.830 57.176 56.400 -0.089 0.000 0.800 253 E CB -0.129 29.519 29.700 -0.088 0.000 0.746 253 E HN 0.221 nan 8.360 nan 0.000 0.452 254 L N 0.838 122.016 121.223 -0.075 0.000 2.093 254 L HA -0.056 4.283 4.340 -0.001 0.000 0.208 254 L C 2.147 178.990 176.870 -0.044 0.000 1.085 254 L CA 1.862 56.671 54.840 -0.051 0.000 0.755 254 L CB -0.743 41.289 42.059 -0.044 0.000 0.904 254 L HN 0.034 nan 8.230 nan 0.000 0.435 255 A N -0.938 121.846 122.820 -0.060 0.000 1.883 255 A HA -0.289 4.031 4.320 -0.001 0.000 0.217 255 A C 2.182 179.739 177.584 -0.044 0.000 1.186 255 A CA 2.022 54.026 52.037 -0.054 0.000 0.624 255 A CB -0.612 18.334 19.000 -0.091 0.000 0.822 255 A HN 0.663 nan 8.150 nan 0.000 0.444 256 Q N -0.844 118.924 119.800 -0.054 0.000 2.084 256 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 256 Q C 2.423 178.410 176.000 -0.022 0.000 0.978 256 Q CA 1.349 57.130 55.803 -0.036 0.000 0.844 256 Q CB -0.411 28.304 28.738 -0.039 0.000 0.898 256 Q HN 0.693 nan 8.270 nan 0.000 0.426 257 A N 0.758 123.563 122.820 -0.025 0.000 2.024 257 A HA -0.137 4.182 4.320 -0.001 0.000 0.220 257 A C 1.893 179.470 177.584 -0.013 0.000 1.164 257 A CA 1.093 53.119 52.037 -0.018 0.000 0.643 257 A CB -0.429 18.558 19.000 -0.021 0.000 0.806 257 A HN 0.294 nan 8.150 nan 0.000 0.451 258 L N -1.206 120.010 121.223 -0.013 0.000 2.591 258 L HA 0.204 4.543 4.340 -0.001 0.000 0.228 258 L C 1.540 178.409 176.870 -0.001 0.000 1.133 258 L CA 0.492 55.328 54.840 -0.007 0.000 0.880 258 L CB -0.095 41.961 42.059 -0.005 0.000 1.033 258 L HN 0.548 nan 8.230 nan 0.000 0.450 259 G N 0.639 109.438 108.800 -0.001 0.000 2.221 259 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.265 259 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.265 259 G C 0.081 174.991 174.900 0.016 0.000 1.041 259 G CA -0.090 45.014 45.100 0.008 0.000 0.807 259 G HN 0.187 nan 8.290 nan 0.000 0.502 260 R N -0.267 120.239 120.500 0.011 0.000 2.803 260 R HA 0.638 4.977 4.340 -0.001 0.000 0.276 260 R C 0.198 176.504 176.300 0.010 0.000 0.978 260 R CA -0.542 55.572 56.100 0.024 0.000 0.939 260 R CB 1.441 31.757 30.300 0.027 0.000 1.179 260 R HN 0.268 nan 8.270 nan 0.000 0.472 261 S N 1.884 117.608 115.700 0.040 0.000 2.533 261 S HA 0.105 4.574 4.470 -0.001 0.000 0.282 261 S C -1.481 173.066 174.600 -0.089 0.000 1.304 261 S CA -1.058 57.157 58.200 0.025 0.000 1.063 261 S CB 0.521 63.808 63.200 0.146 0.000 0.881 261 S HN 0.254 nan 8.310 nan 0.000 0.493 262 P HA -0.040 nan 4.420 nan 0.000 0.225 262 P C -0.005 176.982 177.300 -0.521 0.000 1.148 262 P CA 1.174 64.001 63.100 -0.455 0.000 0.779 262 P CB -0.053 31.240 31.700 -0.678 0.000 0.780 263 Y N -1.207 119.043 120.300 -0.083 0.000 2.490 263 Y HA 0.036 4.585 4.550 -0.002 0.000 0.281 263 Y C 1.449 177.264 175.900 -0.142 0.000 1.174 263 Y CA 0.003 58.007 58.100 -0.160 0.000 1.295 263 Y CB -0.534 37.825 38.460 -0.169 0.000 1.062 263 Y HN -0.070 nan 8.280 nan 0.000 0.522 264 D N 0.259 120.697 120.400 0.064 0.000 2.340 264 D HA 0.086 4.726 4.640 -0.001 0.000 0.220 264 D C 0.012 176.390 176.300 0.131 0.000 1.039 264 D CA 0.571 54.684 54.000 0.190 0.000 0.866 264 D CB 0.205 41.140 40.800 0.225 0.000 0.913 264 D HN 0.273 nan 8.370 nan 0.000 0.523 265 L N 0.748 121.912 121.223 -0.098 0.000 2.282 265 L HA 0.319 4.658 4.340 -0.001 0.000 0.288 265 L C -0.745 175.964 176.870 -0.268 0.000 1.033 265 L CA -0.783 54.007 54.840 -0.082 0.000 0.807 265 L CB 0.807 42.784 42.059 -0.136 0.000 1.209 265 L HN -0.144 nan 8.230 nan 0.000 0.423 266 Y N 1.985 122.247 120.300 -0.063 0.000 2.478 266 Y HA 0.464 5.014 4.550 -0.001 0.000 0.329 266 Y C 0.610 176.232 175.900 -0.464 0.000 0.967 266 Y CA -0.762 57.252 58.100 -0.145 0.000 1.255 266 Y CB 1.517 39.985 38.460 0.014 0.000 1.103 266 Y HN 0.654 nan 8.280 nan 0.000 0.497 267 A N 3.013 125.613 122.820 -0.366 0.000 2.444 267 A HA 0.451 4.770 4.320 -0.001 0.000 0.273 267 A C 0.887 178.292 177.584 -0.299 0.000 1.136 267 A CA 0.075 51.779 52.037 -0.555 0.000 0.799 267 A CB -0.391 18.046 19.000 -0.940 0.000 1.081 267 A HN 0.885 nan 8.150 nan 0.000 0.509 268 G N 1.277 109.846 108.800 -0.385 0.000 2.406 268 G HA2 0.467 4.426 3.960 -0.001 0.000 0.251 268 G HA3 0.467 4.426 3.960 -0.001 0.000 0.251 268 G C -0.447 174.766 174.900 0.521 0.000 1.271 268 G CA -0.116 44.892 45.100 -0.154 0.000 0.859 268 G HN 0.798 nan 8.290 nan 0.000 0.540 269 V N 3.116 123.340 119.914 0.516 0.000 2.483 269 V HA 0.214 4.334 4.120 -0.001 0.000 0.297 269 V C -0.758 175.424 176.094 0.148 0.000 1.027 269 V CA -0.879 61.592 62.300 0.286 0.000 0.855 269 V CB 1.882 33.807 31.823 0.170 0.000 0.995 269 V HN 0.790 nan 8.190 nan 0.000 0.424 270 D N 3.993 124.192 120.400 -0.335 0.000 2.411 270 D HA 0.233 4.872 4.640 -0.001 0.000 0.225 270 D C 0.638 176.790 176.300 -0.246 0.000 1.156 270 D CA -0.178 53.491 54.000 -0.553 0.000 0.874 270 D CB 1.643 41.693 40.800 -1.250 0.000 1.034 270 D HN 0.421 nan 8.370 nan 0.000 0.502 271 V N 1.201 121.032 119.914 -0.138 0.000 3.483 271 V HA 0.210 4.329 4.120 -0.001 0.000 0.301 271 V C 1.608 177.521 176.094 -0.301 0.000 1.389 271 V CA -0.055 62.126 62.300 -0.199 0.000 1.101 271 V CB -0.022 31.788 31.823 -0.022 0.000 0.971 271 V HN 0.453 nan 8.190 nan 0.000 0.434 272 E N 1.834 121.887 120.200 -0.245 0.000 2.049 272 E HA -0.244 4.105 4.350 -0.001 0.000 0.198 272 E C 2.108 178.667 176.600 -0.067 0.000 1.007 272 E CA 2.238 58.520 56.400 -0.198 0.000 0.809 272 E CB -0.147 29.413 29.700 -0.233 0.000 0.749 272 E HN 0.723 nan 8.360 nan 0.000 0.450 273 A N 0.393 123.149 122.820 -0.106 0.000 1.898 273 A HA -0.024 4.295 4.320 -0.001 0.000 0.214 273 A C 1.988 179.544 177.584 -0.048 0.000 1.183 273 A CA 1.186 53.206 52.037 -0.028 0.000 0.622 273 A CB -0.033 18.939 19.000 -0.048 0.000 0.824 273 A HN 0.158 nan 8.150 nan 0.000 0.444 274 R N -2.016 118.285 120.500 -0.332 0.000 2.487 274 R HA 0.295 4.635 4.340 -0.001 0.000 0.272 274 R C 1.469 177.121 176.300 -1.080 0.000 0.928 274 R CA 0.418 56.263 56.100 -0.425 0.000 1.077 274 R CB 0.314 30.452 30.300 -0.270 0.000 1.265 274 R HN 0.537 nan 8.270 nan 0.000 0.537 275 G N 1.611 109.362 108.800 -1.749 0.000 2.692 275 G HA2 -0.507 3.452 3.960 -0.001 0.000 0.339 275 G HA3 -0.507 3.452 3.960 -0.001 0.000 0.339 275 G C 1.190 175.180 174.900 -1.517 0.000 1.226 275 G CA 1.706 45.478 45.100 -2.214 0.000 0.979 275 G HN 0.378 nan 8.290 nan 0.000 0.549 276 T N -2.173 111.476 114.554 -1.509 0.000 3.007 276 T HA 0.162 4.511 4.350 -0.001 0.000 0.270 276 T C 2.126 176.397 174.700 -0.716 0.000 1.107 276 T CA 2.086 63.323 62.100 -1.438 0.000 1.118 276 T CB -0.107 68.284 68.868 -0.794 0.000 0.889 276 T HN 0.549 nan 8.240 nan 0.000 0.506 277 S N 1.236 116.633 115.700 -0.505 0.000 2.671 277 S HA 0.141 4.610 4.470 -0.001 0.000 0.220 277 S C 0.487 174.979 174.600 -0.179 0.000 0.951 277 S CA -0.242 57.824 58.200 -0.222 0.000 0.932 277 S CB -0.222 62.891 63.200 -0.145 0.000 0.777 277 S HN 0.571 nan 8.310 nan 0.000 0.508 278 T N 5.141 119.544 114.554 -0.251 0.000 2.799 278 T HA 0.223 4.572 4.350 -0.001 0.000 0.296 278 T C -2.554 172.169 174.700 0.039 0.000 0.947 278 T CA -0.990 61.039 62.100 -0.117 0.000 1.141 278 T CB 0.636 69.433 68.868 -0.119 0.000 0.891 278 T HN 0.056 nan 8.240 nan 0.000 0.533 279 P HA 0.366 nan 4.420 nan 0.000 0.276 279 P C -1.068 176.108 177.300 -0.207 0.000 1.243 279 P CA -0.324 62.736 63.100 -0.067 0.000 0.768 279 P CB 0.597 32.247 31.700 -0.084 0.000 0.856 280 V N 3.974 123.686 119.914 -0.337 0.000 2.760 280 V HA 0.209 4.328 4.120 -0.001 0.000 0.309 280 V C 0.018 175.701 176.094 -0.685 0.000 1.077 280 V CA -0.693 61.156 62.300 -0.751 0.000 0.910 280 V CB 2.336 33.249 31.823 -1.517 0.000 1.008 280 V HN 0.322 nan 8.190 nan 0.000 0.424 281 Q N 2.712 122.164 119.800 -0.581 0.000 3.027 281 Q HA 0.125 4.465 4.340 -0.001 0.000 0.260 281 Q C 0.610 176.539 176.000 -0.119 0.000 1.379 281 Q CA 0.068 55.709 55.803 -0.270 0.000 1.038 281 Q CB 0.188 28.818 28.738 -0.180 0.000 1.578 281 Q HN 0.878 nan 8.270 nan 0.000 0.571 282 W N 0.845 122.175 121.300 0.051 0.000 2.325 282 W HA -0.232 4.428 4.660 -0.001 0.000 0.299 282 W C 1.586 178.161 176.519 0.093 0.000 1.215 282 W CA 0.810 58.188 57.345 0.056 0.000 1.244 282 W CB 0.187 29.726 29.460 0.131 0.000 1.140 282 W HN 0.484 nan 8.180 nan 0.000 0.523 283 E N -0.421 119.973 120.200 0.322 0.000 2.153 283 E HA -0.133 4.216 4.350 -0.001 0.000 0.194 283 E C 2.401 179.111 176.600 0.184 0.000 0.988 283 E CA 1.455 57.995 56.400 0.234 0.000 0.811 283 E CB -1.053 28.760 29.700 0.188 0.000 0.746 283 E HN 0.293 nan 8.360 nan 0.000 0.466 284 G N -0.083 108.849 108.800 0.219 0.000 2.679 284 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.212 284 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.212 284 G C 1.298 176.319 174.900 0.201 0.000 1.137 284 G CA 0.502 45.767 45.100 0.276 0.000 0.787 284 G HN 0.200 nan 8.290 nan 0.000 0.534 285 L N -1.796 119.422 121.223 -0.008 0.000 2.600 285 L HA 0.559 4.898 4.340 -0.001 0.000 0.213 285 L C -0.145 176.310 176.870 -0.691 0.000 1.045 285 L CA 0.223 54.796 54.840 -0.444 0.000 0.863 285 L CB 0.350 42.001 42.059 -0.680 0.000 1.189 285 L HN 0.029 nan 8.230 nan 0.000 0.484 286 F N 3.268 123.132 119.950 -0.145 0.000 2.366 286 F HA 0.482 5.008 4.527 -0.002 0.000 0.357 286 F C -2.127 173.627 175.800 -0.077 0.000 1.107 286 F CA -2.115 55.773 58.000 -0.187 0.000 1.208 286 F CB 0.279 39.111 39.000 -0.280 0.000 1.464 286 F HN 0.006 nan 8.300 nan 0.000 0.501 287 P HA 0.211 nan 4.420 nan 0.000 0.276 287 P C -0.174 177.152 177.300 0.045 0.000 1.252 287 P CA -0.094 63.009 63.100 0.006 0.000 0.802 287 P CB 1.088 32.736 31.700 -0.086 0.000 1.035 291 K N 1.716 122.122 120.400 0.009 0.000 2.219 291 K HA 0.672 4.991 4.320 -0.001 0.000 0.258 291 K C -0.041 176.565 176.600 0.010 0.000 1.008 291 K CA -0.130 56.178 56.287 0.034 0.000 0.928 291 K CB 0.724 33.272 32.500 0.081 0.000 0.983 291 K HN 0.282 nan 8.250 nan 0.000 0.484 292 A N 2.106 124.981 122.820 0.091 0.000 2.561 292 A HA -0.044 4.275 4.320 -0.001 0.000 0.234 292 A C 0.628 178.225 177.584 0.020 0.000 1.055 292 A CA -0.184 51.887 52.037 0.057 0.000 0.756 292 A CB -0.202 18.934 19.000 0.226 0.000 0.986 292 A HN 0.850 nan 8.150 nan 0.000 0.505 293 H N 1.164 120.171 119.070 -0.105 0.000 2.326 293 H HA -0.021 4.534 4.556 -0.001 0.000 0.301 293 H C 1.445 176.577 175.328 -0.328 0.000 1.081 293 H CA 2.045 57.971 56.048 -0.204 0.000 1.334 293 H CB -0.193 29.424 29.762 -0.241 0.000 1.385 293 H HN 0.894 nan 8.280 nan 0.000 0.504 294 T N -3.166 111.275 114.554 -0.187 0.000 2.654 294 T HA 0.522 4.871 4.350 -0.001 0.000 0.289 294 T C 0.316 174.993 174.700 -0.038 0.000 1.062 294 T CA -0.908 61.037 62.100 -0.258 0.000 1.041 294 T CB 2.172 70.839 68.868 -0.335 0.000 1.417 294 T HN 0.028 nan 8.240 nan 0.000 0.510 295 S N -0.259 115.375 115.700 -0.110 0.000 2.686 295 S HA 0.687 5.156 4.470 -0.001 0.000 0.270 295 S C -0.772 173.821 174.600 -0.012 0.000 1.194 295 S CA -0.669 57.498 58.200 -0.055 0.000 0.990 295 S CB 0.549 63.437 63.200 -0.519 0.000 1.029 295 S HN 0.727 nan 8.310 nan 0.000 0.560 296 L N 1.073 122.470 121.223 0.290 0.000 2.341 296 L HA 0.737 5.077 4.340 -0.001 0.000 0.278 296 L C -0.072 177.045 176.870 0.411 0.000 1.005 296 L CA -0.061 54.970 54.840 0.319 0.000 0.818 296 L CB 0.961 43.341 42.059 0.534 0.000 1.259 296 L HN 0.628 nan 8.230 nan 0.000 0.418 297 G N 5.947 114.888 108.800 0.236 0.000 2.422 297 G HA2 0.556 4.515 3.960 -0.001 0.000 0.317 297 G HA3 0.556 4.515 3.960 -0.001 0.000 0.317 297 G C -1.190 173.987 174.900 0.461 0.000 1.210 297 G CA -0.515 44.777 45.100 0.320 0.000 0.930 297 G HN 0.582 nan 8.290 nan 0.000 0.468 298 L N 2.617 124.131 121.223 0.485 0.000 2.265 298 L HA 0.306 4.645 4.340 -0.001 0.000 0.289 298 L C -0.738 176.339 176.870 0.345 0.000 1.033 298 L CA -1.087 53.993 54.840 0.400 0.000 0.814 298 L CB 1.397 43.632 42.059 0.293 0.000 1.203 298 L HN 0.581 nan 8.230 nan 0.000 0.423 299 Y N 5.181 125.601 120.300 0.200 0.000 2.367 299 Y HA 0.323 4.872 4.550 -0.002 0.000 0.342 299 Y C 0.244 176.007 175.900 -0.228 0.000 0.979 299 Y CA -0.890 57.173 58.100 -0.061 0.000 1.161 299 Y CB 0.345 38.884 38.460 0.132 0.000 1.155 299 Y HN 0.513 nan 8.280 nan 0.000 0.503 300 R N 4.425 124.433 120.500 -0.821 0.000 3.209 300 R HA -0.139 4.200 4.340 -0.001 0.000 0.252 300 R C -2.527 173.523 176.300 -0.416 0.000 0.958 300 R CA 0.655 56.298 56.100 -0.762 0.000 0.651 300 R CB -1.676 27.996 30.300 -1.048 0.000 1.142 300 R HN 0.570 nan 8.270 nan 0.000 0.441 301 P HA -0.095 nan 4.420 nan 0.000 0.233 301 P C 0.675 177.839 177.300 -0.228 0.000 1.167 301 P CA 1.309 64.133 63.100 -0.459 0.000 0.770 301 P CB -0.057 31.366 31.700 -0.461 0.000 0.837 302 D N -2.002 118.274 120.400 -0.206 0.000 2.403 302 D HA -0.215 4.424 4.640 -0.001 0.000 0.227 302 D C 1.586 177.860 176.300 -0.044 0.000 0.995 302 D CA -0.113 53.817 54.000 -0.117 0.000 0.928 302 D CB -1.087 39.581 40.800 -0.221 0.000 0.887 302 D HN 0.229 nan 8.370 nan 0.000 0.529 303 W N 1.729 122.883 121.300 -0.242 0.000 2.308 303 W HA -0.298 4.362 4.660 -0.001 0.000 0.301 303 W C 2.229 178.699 176.519 -0.083 0.000 1.220 303 W CA 2.298 59.529 57.345 -0.191 0.000 1.240 303 W CB -0.396 28.921 29.460 -0.238 0.000 1.142 303 W HN 0.066 nan 8.180 nan 0.000 0.521 304 A N -0.143 122.529 122.820 -0.247 0.000 1.940 304 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 304 A C 1.964 179.502 177.584 -0.076 0.000 1.176 304 A CA 1.731 53.545 52.037 -0.370 0.000 0.631 304 A CB -1.335 17.772 19.000 0.179 0.000 0.814 304 A HN 0.583 nan 8.150 nan 0.000 0.446 305 F N -0.068 119.705 119.950 -0.296 0.000 2.179 305 F HA 0.005 4.532 4.527 -0.002 0.000 0.292 305 F C 2.356 177.898 175.800 -0.430 0.000 1.089 305 F CA 1.790 59.345 58.000 -0.741 0.000 1.295 305 F CB -0.281 38.049 39.000 -1.116 0.000 1.041 305 F HN 0.233 nan 8.300 nan 0.000 0.487 306 Q N -0.387 119.205 119.800 -0.347 0.000 2.378 306 Q HA -0.076 4.263 4.340 -0.001 0.000 0.205 306 Q C 1.930 177.729 176.000 -0.334 0.000 0.954 306 Q CA 1.222 56.817 55.803 -0.347 0.000 0.901 306 Q CB -0.054 28.582 28.738 -0.170 0.000 0.981 306 Q HN 0.468 nan 8.270 nan 0.000 0.483 307 S N -1.534 113.919 115.700 -0.412 0.000 2.575 307 S HA 0.193 4.662 4.470 -0.001 0.000 0.215 307 S C 0.535 174.929 174.600 -0.343 0.000 0.966 307 S CA -0.561 57.412 58.200 -0.377 0.000 0.911 307 S CB 0.576 63.447 63.200 -0.548 0.000 0.780 307 S HN -0.058 nan 8.310 nan 0.000 0.514 308 S N 0.944 116.435 115.700 -0.348 0.000 2.648 308 S HA 0.542 5.011 4.470 -0.001 0.000 0.305 308 S C 0.153 174.538 174.600 -0.359 0.000 1.094 308 S CA -0.768 57.273 58.200 -0.265 0.000 0.983 308 S CB 1.659 64.785 63.200 -0.123 0.000 1.101 308 S HN 0.190 nan 8.310 nan 0.000 0.514 309 E N 0.852 120.809 120.200 -0.405 0.000 2.434 309 E HA 0.133 4.482 4.350 -0.001 0.000 0.207 309 E C 0.349 176.400 176.600 -0.915 0.000 0.929 309 E CA 0.543 56.592 56.400 -0.584 0.000 1.001 309 E CB 0.715 30.208 29.700 -0.344 0.000 1.016 309 E HN 0.793 nan 8.360 nan 0.000 0.502 310 T N -2.135 112.022 114.554 -0.662 0.000 2.900 310 T HA 0.353 4.702 4.350 -0.001 0.000 0.295 310 T C 0.838 175.451 174.700 -0.145 0.000 1.044 310 T CA -0.690 61.105 62.100 -0.508 0.000 0.995 310 T CB 1.969 70.706 68.868 -0.218 0.000 1.072 310 T HN -0.223 nan 8.240 nan 0.000 0.473 311 M N 1.311 120.833 119.600 -0.130 0.000 2.106 311 M HA -0.044 4.435 4.480 -0.001 0.000 0.259 311 M C 1.898 178.216 176.300 0.029 0.000 1.068 311 M CA 1.921 57.165 55.300 -0.092 0.000 1.100 311 M CB -0.976 31.035 32.600 -0.982 0.000 1.351 311 M HN 0.859 nan 8.290 nan 0.000 0.404 312 E N -0.650 119.592 120.200 0.069 0.000 2.077 312 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 312 E C 1.968 178.738 176.600 0.283 0.000 0.989 312 E CA 1.298 57.867 56.400 0.283 0.000 0.800 312 E CB -0.326 29.539 29.700 0.275 0.000 0.746 312 E HN 0.663 nan 8.360 nan 0.000 0.452 313 A N 0.928 123.863 122.820 0.191 0.000 1.929 313 A HA -0.148 4.171 4.320 -0.001 0.000 0.216 313 A C 1.939 179.659 177.584 0.227 0.000 1.176 313 A CA 0.802 52.937 52.037 0.163 0.000 0.628 313 A CB -0.589 18.447 19.000 0.060 0.000 0.816 313 A HN 0.346 nan 8.150 nan 0.000 0.444 314 F N -0.214 119.821 119.950 0.142 0.000 2.069 314 F HA -0.197 4.329 4.527 -0.001 0.000 0.298 314 F C 2.005 177.998 175.800 0.320 0.000 1.113 314 F CA 1.521 59.635 58.000 0.191 0.000 1.214 314 F CB -0.943 38.244 39.000 0.310 0.000 0.978 314 F HN 0.288 nan 8.300 nan 0.000 0.474 315 Y N 0.991 121.230 120.300 -0.102 0.000 2.242 315 Y HA -0.145 4.404 4.550 -0.001 0.000 0.291 315 Y C 2.698 178.706 175.900 0.180 0.000 1.137 315 Y CA 1.713 59.780 58.100 -0.054 0.000 1.181 315 Y CB -0.997 37.607 38.460 0.240 0.000 0.989 315 Y HN 0.346 nan 8.280 nan 0.000 0.527 316 E N 0.224 120.630 120.200 0.344 0.000 2.077 316 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 316 E C 1.968 178.710 176.600 0.238 0.000 0.989 316 E CA 1.348 57.926 56.400 0.296 0.000 0.800 316 E CB 0.000 29.852 29.700 0.254 0.000 0.746 316 E HN 0.375 nan 8.360 nan 0.000 0.452 317 K N 0.290 120.800 120.400 0.183 0.000 2.057 317 K HA -0.128 4.191 4.320 -0.001 0.000 0.206 317 K C 2.173 178.940 176.600 0.279 0.000 1.050 317 K CA 1.359 57.750 56.287 0.173 0.000 0.935 317 K CB -0.024 32.418 32.500 -0.096 0.000 0.715 317 K HN 0.201 nan 8.250 nan 0.000 0.439 318 E N 0.986 121.313 120.200 0.212 0.000 2.110 318 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 318 E C 2.127 178.825 176.600 0.164 0.000 0.988 318 E CA 0.855 57.420 56.400 0.274 0.000 0.804 318 E CB -0.115 29.655 29.700 0.116 0.000 0.745 318 E HN 0.241 nan 8.360 nan 0.000 0.458 319 L N 1.098 122.444 121.223 0.206 0.000 2.017 319 L HA -0.254 4.085 4.340 -0.001 0.000 0.208 319 L C 2.412 179.392 176.870 0.183 0.000 1.073 319 L CA 1.482 56.446 54.840 0.207 0.000 0.745 319 L CB -0.064 42.207 42.059 0.353 0.000 0.894 319 L HN 0.093 nan 8.230 nan 0.000 0.432 320 Q N -1.313 118.624 119.800 0.228 0.000 2.124 320 Q HA -0.233 4.106 4.340 -0.001 0.000 0.202 320 Q C 2.021 178.141 176.000 0.200 0.000 0.977 320 Q CA 1.897 57.823 55.803 0.205 0.000 0.850 320 Q CB -0.207 28.655 28.738 0.207 0.000 0.901 320 Q HN 0.529 nan 8.270 nan 0.000 0.429 321 F N -0.789 119.213 119.950 0.087 0.000 2.098 321 F HA -0.146 4.381 4.527 -0.001 0.000 0.294 321 F C 1.276 177.103 175.800 0.046 0.000 1.107 321 F CA 1.306 59.309 58.000 0.005 0.000 1.234 321 F CB -0.041 38.926 39.000 -0.054 0.000 1.002 321 F HN 0.029 nan 8.300 nan 0.000 0.472 322 W N -1.017 120.364 121.300 0.134 0.000 2.576 322 W HA 0.080 4.739 4.660 -0.002 0.000 0.275 322 W C 2.142 178.521 176.519 -0.233 0.000 1.241 322 W CA 1.004 58.291 57.345 -0.096 0.000 1.328 322 W CB -0.542 28.637 29.460 -0.468 0.000 1.092 322 W HN -0.255 nan 8.180 nan 0.000 0.586 323 V N -0.603 119.351 119.914 0.067 0.000 2.672 323 V HA 0.435 4.555 4.120 -0.001 0.000 0.242 323 V C 1.123 177.220 176.094 0.005 0.000 1.059 323 V CA 1.397 63.734 62.300 0.061 0.000 1.081 323 V CB -0.521 31.409 31.823 0.180 0.000 0.752 323 V HN 0.221 nan 8.190 nan 0.000 0.472 324 G N -0.446 108.392 108.800 0.064 0.000 2.462 324 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.685 324 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.685 324 G C 0.355 175.305 174.900 0.084 0.000 1.295 324 G CA -0.053 45.086 45.100 0.064 0.000 0.941 324 G HN 0.003 nan 8.290 nan 0.000 0.554 325 S N -0.646 115.094 115.700 0.067 0.000 2.474 325 S HA -0.033 4.436 4.470 -0.001 0.000 0.235 325 S C 2.489 177.126 174.600 0.060 0.000 0.997 325 S CA 2.109 60.351 58.200 0.070 0.000 0.949 325 S CB -0.255 62.978 63.200 0.055 0.000 0.766 325 S HN 0.799 nan 8.310 nan 0.000 0.517 326 T N 0.569 115.146 114.554 0.037 0.000 2.821 326 T HA 0.103 4.453 4.350 -0.001 0.000 0.267 326 T C 1.666 176.416 174.700 0.084 0.000 1.046 326 T CA 1.080 63.204 62.100 0.040 0.000 1.139 326 T CB -0.539 68.335 68.868 0.009 0.000 0.871 326 T HN 0.579 nan 8.240 nan 0.000 0.454 327 G N 1.985 110.853 108.800 0.114 0.000 2.143 327 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.248 327 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.248 327 G C 0.034 175.043 174.900 0.182 0.000 0.991 327 G CA 0.228 45.435 45.100 0.180 0.000 0.689 327 G HN 0.616 nan 8.290 nan 0.000 0.522 328 N N -0.234 118.537 118.700 0.119 0.000 2.533 328 N HA 0.421 5.160 4.740 -0.001 0.000 0.289 328 N C -1.197 174.357 175.510 0.074 0.000 1.103 328 N CA -1.749 51.359 53.050 0.097 0.000 0.877 328 N CB 2.149 40.671 38.487 0.058 0.000 1.419 328 N HN -0.045 nan 8.380 nan 0.000 0.517 329 P HA -0.059 nan 4.420 nan 0.000 0.222 329 P C 0.753 178.092 177.300 0.066 0.000 1.147 329 P CA 0.748 63.938 63.100 0.150 0.000 0.790 329 P CB 0.372 32.283 31.700 0.353 0.000 0.780 330 A N 0.016 122.839 122.820 0.004 0.000 2.072 330 A HA -0.017 4.302 4.320 -0.001 0.000 0.216 330 A C 1.175 178.736 177.584 -0.038 0.000 1.156 330 A CA 0.852 52.862 52.037 -0.044 0.000 0.701 330 A CB -0.227 18.711 19.000 -0.103 0.000 0.816 330 A HN 0.068 nan 8.150 nan 0.000 0.458 331 E N 1.518 121.703 120.200 -0.026 0.000 3.786 331 E HA 0.157 4.506 4.350 -0.001 0.000 0.215 331 E C -0.591 175.981 176.600 -0.046 0.000 1.188 331 E CA -0.148 56.233 56.400 -0.031 0.000 1.248 331 E CB 0.008 29.698 29.700 -0.017 0.000 1.260 331 E HN 0.499 nan 8.360 nan 0.000 0.426 332 T N -1.484 113.031 114.554 -0.065 0.000 2.882 332 T HA 0.282 4.632 4.350 -0.001 0.000 0.287 332 T C 0.099 174.690 174.700 -0.182 0.000 1.014 332 T CA -0.715 61.308 62.100 -0.129 0.000 1.049 332 T CB 1.735 70.510 68.868 -0.156 0.000 1.001 332 T HN -0.056 nan 8.240 nan 0.000 0.525 333 D N 0.104 120.330 120.400 -0.289 0.000 2.460 333 D HA 0.400 5.039 4.640 -0.001 0.000 0.232 333 D C 1.274 177.267 176.300 -0.512 0.000 1.079 333 D CA -0.574 53.256 54.000 -0.283 0.000 0.864 333 D CB 0.514 41.213 40.800 -0.169 0.000 1.048 333 D HN 0.709 nan 8.370 nan 0.000 0.523 334 G N 2.513 110.982 108.800 -0.552 0.000 2.598 334 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.215 334 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.215 334 G C 0.989 175.720 174.900 -0.280 0.000 1.131 334 G CA 0.376 45.073 45.100 -0.672 0.000 0.785 334 G HN 0.522 nan 8.290 nan 0.000 0.539 335 Q N -0.008 119.686 119.800 -0.176 0.000 2.360 335 Q HA 0.180 4.519 4.340 -0.001 0.000 0.202 335 Q C 1.193 177.162 176.000 -0.052 0.000 0.915 335 Q CA -0.292 55.469 55.803 -0.069 0.000 0.943 335 Q CB 0.486 29.200 28.738 -0.040 0.000 1.064 335 Q HN 0.343 nan 8.270 nan 0.000 0.511 336 S N 0.621 116.256 115.700 -0.108 0.000 2.585 336 S HA 0.044 4.513 4.470 -0.001 0.000 0.273 336 S C 1.006 175.625 174.600 0.032 0.000 1.339 336 S CA -0.557 57.615 58.200 -0.046 0.000 1.028 336 S CB 0.611 63.761 63.200 -0.084 0.000 0.906 336 S HN 0.222 nan 8.310 nan 0.000 0.528 337 N N 2.072 120.839 118.700 0.113 0.000 2.223 337 N HA -0.060 4.679 4.740 -0.001 0.000 0.185 337 N C -0.130 175.605 175.510 0.375 0.000 1.016 337 N CA 0.928 54.111 53.050 0.221 0.000 0.863 337 N CB -0.054 38.546 38.487 0.187 0.000 0.983 337 N HN 0.730 nan 8.380 nan 0.000 0.429 338 W N 1.382 122.703 121.300 0.035 0.000 2.485 338 W HA 0.284 4.944 4.660 -0.001 0.000 0.297 338 W C -2.342 174.045 176.519 -0.220 0.000 0.999 338 W CA -1.764 55.564 57.345 -0.029 0.000 1.512 338 W CB 1.527 30.947 29.460 -0.067 0.000 1.322 338 W HN 0.002 nan 8.180 nan 0.000 0.419 339 P HA 0.023 nan 4.420 nan 0.000 0.223 339 P C 0.627 177.511 177.300 -0.693 0.000 1.151 339 P CA 1.503 64.138 63.100 -0.775 0.000 0.787 339 P CB 0.411 31.279 31.700 -1.387 0.000 0.788 340 G N -1.060 107.267 108.800 -0.788 0.000 2.690 340 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.686 340 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.686 340 G C 0.422 175.004 174.900 -0.530 0.000 1.277 340 G CA -0.394 44.416 45.100 -0.482 0.000 0.799 340 G HN -0.159 nan 8.290 nan 0.000 0.613 341 M N 0.907 120.318 119.600 -0.316 0.000 2.296 341 M HA -0.018 4.461 4.480 -0.001 0.000 0.265 341 M C 2.883 179.056 176.300 -0.212 0.000 1.064 341 M CA 2.208 57.454 55.300 -0.090 0.000 1.109 341 M CB -1.624 31.002 32.600 0.042 0.000 1.396 341 M HN 1.301 nan 8.290 nan 0.000 0.430 342 A N -1.156 121.360 122.820 -0.507 0.000 2.125 342 A HA -0.207 4.112 4.320 -0.001 0.000 0.219 342 A C 1.938 179.356 177.584 -0.277 0.000 1.156 342 A CA 1.739 53.535 52.037 -0.403 0.000 0.671 342 A CB -1.088 17.791 19.000 -0.200 0.000 0.794 342 A HN 0.553 nan 8.150 nan 0.000 0.459 343 H N -2.165 116.525 119.070 -0.633 0.000 2.457 343 H HA -0.102 4.453 4.556 -0.002 0.000 0.294 343 H C 1.396 176.085 175.328 -1.065 0.000 1.064 343 H CA 1.942 57.407 56.048 -0.972 0.000 1.330 343 H CB -0.010 28.803 29.762 -1.583 0.000 1.395 343 H HN 0.679 nan 8.280 nan 0.000 0.541 344 W N -1.480 119.453 121.300 -0.612 0.000 2.873 344 W HA 0.234 4.893 4.660 -0.002 0.000 0.282 344 W C -0.586 175.407 176.519 -0.878 0.000 1.118 344 W CA -0.201 56.544 57.345 -1.000 0.000 1.480 344 W CB 0.172 28.624 29.460 -1.680 0.000 0.954 344 W HN -0.053 nan 8.180 nan 0.000 0.591 345 F N 1.536 121.504 119.950 0.029 0.000 2.467 345 F HA 0.435 4.961 4.527 -0.001 0.000 0.336 345 F C -2.134 173.825 175.800 0.265 0.000 1.123 345 F CA -2.750 55.356 58.000 0.177 0.000 0.964 345 F CB 0.725 39.909 39.000 0.307 0.000 1.136 345 F HN -0.467 nan 8.300 nan 0.000 0.447 346 P HA 0.138 nan 4.420 nan 0.000 0.268 346 P C -0.742 176.819 177.300 0.435 0.000 1.205 346 P CA -0.164 63.147 63.100 0.352 0.000 0.771 346 P CB 0.630 32.469 31.700 0.232 0.000 0.858 347 A N 3.910 126.947 122.820 0.362 0.000 2.401 347 A HA 0.346 4.665 4.320 -0.001 0.000 0.259 347 A C 0.267 177.875 177.584 0.040 0.000 1.103 347 A CA -0.149 51.920 52.037 0.054 0.000 0.789 347 A CB 0.038 18.989 19.000 -0.082 0.000 1.035 347 A HN 0.369 nan 8.150 nan 0.000 0.491 348 K N 1.161 121.567 120.400 0.009 0.000 2.166 348 K HA 0.668 4.987 4.320 -0.001 0.000 0.245 348 K C -0.514 176.044 176.600 -0.071 0.000 0.967 348 K CA -0.491 55.799 56.287 0.005 0.000 0.863 348 K CB 1.731 34.267 32.500 0.061 0.000 1.107 348 K HN 0.550 nan 8.250 nan 0.000 0.436 349 S N -0.414 115.232 115.700 -0.090 0.000 2.548 349 S HA 0.256 4.725 4.470 -0.001 0.000 0.286 349 S C -0.068 174.472 174.600 -0.099 0.000 1.098 349 S CA -0.480 57.640 58.200 -0.133 0.000 0.930 349 S CB 1.713 64.780 63.200 -0.222 0.000 1.070 349 S HN 0.622 nan 8.310 nan 0.000 0.480 350 T N 2.449 116.950 114.554 -0.088 0.000 3.134 350 T HA 0.376 4.726 4.350 -0.001 0.000 0.260 350 T C 0.570 175.203 174.700 -0.112 0.000 1.027 350 T CA 0.366 62.427 62.100 -0.065 0.000 0.913 350 T CB -0.519 68.339 68.868 -0.017 0.000 1.046 350 T HN 0.764 nan 8.240 nan 0.000 0.553 351 A N 1.720 124.370 122.820 -0.283 0.000 3.048 351 A HA 0.381 4.700 4.320 -0.001 0.000 0.264 351 A C 1.421 178.781 177.584 -0.373 0.000 1.796 351 A CA 0.155 51.825 52.037 -0.610 0.000 1.445 351 A CB -1.078 17.109 19.000 -1.355 0.000 1.074 351 A HN 0.555 nan 8.150 nan 0.000 0.621 352 T N -3.289 111.158 114.554 -0.178 0.000 3.091 352 T HA 0.420 4.769 4.350 -0.001 0.000 0.277 352 T C 0.252 174.917 174.700 -0.059 0.000 0.996 352 T CA 0.291 62.324 62.100 -0.112 0.000 0.897 352 T CB 0.022 68.846 68.868 -0.073 0.000 1.109 352 T HN 0.415 nan 8.240 nan 0.000 0.534 353 S N 0.587 116.267 115.700 -0.034 0.000 2.548 353 S HA 0.640 5.109 4.470 -0.001 0.000 0.276 353 S C -0.988 173.638 174.600 0.043 0.000 1.129 353 S CA -0.485 57.720 58.200 0.010 0.000 0.931 353 S CB 1.716 64.932 63.200 0.027 0.000 1.068 353 S HN 0.221 nan 8.310 nan 0.000 0.480 354 V N 6.075 126.008 119.914 0.032 0.000 2.407 354 V HA 0.479 4.598 4.120 -0.001 0.000 0.278 354 V C -1.910 174.209 176.094 0.041 0.000 1.037 354 V CA -1.396 60.929 62.300 0.042 0.000 0.900 354 V CB 0.931 32.767 31.823 0.022 0.000 0.983 354 V HN 0.796 nan 8.190 nan 0.000 0.459 355 P HA 0.350 nan 4.420 nan 0.000 0.280 355 P C -1.035 176.314 177.300 0.082 0.000 1.244 355 P CA -0.372 62.756 63.100 0.047 0.000 0.784 355 P CB 0.489 32.203 31.700 0.023 0.000 0.913 356 F N 3.934 123.833 119.950 -0.085 0.000 2.404 356 F HA 0.490 5.017 4.527 -0.001 0.000 0.354 356 F C -1.038 174.659 175.800 -0.172 0.000 1.122 356 F CA -0.765 57.153 58.000 -0.137 0.000 1.080 356 F CB 0.946 39.832 39.000 -0.191 0.000 1.131 356 F HN 0.052 nan 8.300 nan 0.000 0.471 357 V N 5.276 124.633 119.914 -0.928 0.000 2.638 357 V HA 0.567 4.686 4.120 -0.001 0.000 0.306 357 V C -0.407 175.062 176.094 -1.041 0.000 1.052 357 V CA -0.605 61.197 62.300 -0.831 0.000 0.885 357 V CB 1.775 33.356 31.823 -0.404 0.000 0.999 357 V HN 0.862 nan 8.190 nan 0.000 0.424 358 T N 1.819 115.740 114.554 -1.054 0.000 2.903 358 T HA 0.617 4.967 4.350 -0.001 0.000 0.299 358 T C -0.469 173.681 174.700 -0.916 0.000 1.093 358 T CA -0.248 61.331 62.100 -0.869 0.000 1.002 358 T CB 1.338 69.668 68.868 -0.897 0.000 1.127 358 T HN 0.827 nan 8.240 nan 0.000 0.488 359 H N 2.367 121.145 119.070 -0.488 0.000 2.916 359 H HA 0.381 4.936 4.556 -0.001 0.000 0.262 359 H C -0.269 175.139 175.328 0.134 0.000 1.178 359 H CA -0.356 55.580 56.048 -0.188 0.000 1.090 359 H CB -0.088 29.521 29.762 -0.254 0.000 1.657 359 H HN 0.623 nan 8.280 nan 0.000 0.601 360 F N 0.031 120.113 119.950 0.219 0.000 3.091 360 F HA -0.287 4.239 4.527 -0.002 0.000 0.288 360 F C 0.411 176.384 175.800 0.288 0.000 0.907 360 F CA 0.141 58.347 58.000 0.344 0.000 1.028 360 F CB -1.626 37.614 39.000 0.400 0.000 1.022 360 F HN 0.340 nan 8.300 nan 0.000 0.665 361 N N 1.315 120.200 118.700 0.308 0.000 2.420 361 N HA 0.103 4.842 4.740 -0.001 0.000 0.262 361 N C 1.246 176.901 175.510 0.241 0.000 1.144 361 N CA 0.898 54.120 53.050 0.286 0.000 0.952 361 N CB 1.134 39.784 38.487 0.272 0.000 1.081 361 N HN 0.339 nan 8.380 nan 0.000 0.480 362 T N 0.580 115.268 114.554 0.222 0.000 3.113 362 T HA 0.185 4.534 4.350 -0.001 0.000 0.256 362 T C 1.217 176.046 174.700 0.214 0.000 1.131 362 T CA 0.584 62.779 62.100 0.157 0.000 1.074 362 T CB -0.037 68.941 68.868 0.184 0.000 0.944 362 T HN 0.634 nan 8.240 nan 0.000 0.516 363 G N 0.682 109.624 108.800 0.237 0.000 2.195 363 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.224 363 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.224 363 G C 0.208 175.062 174.900 -0.076 0.000 0.990 363 G CA 0.254 45.477 45.100 0.204 0.000 0.639 363 G HN 1.563 nan 8.290 nan 0.000 0.514 364 S N -1.450 114.046 115.700 -0.339 0.000 2.625 364 S HA 0.961 5.430 4.470 -0.001 0.000 0.271 364 S C -0.284 173.854 174.600 -0.771 0.000 1.161 364 S CA 0.320 57.963 58.200 -0.927 0.000 0.820 364 S CB 2.029 65.017 63.200 -0.353 0.000 1.137 364 S HN 2.060 nan 8.310 nan 0.000 0.470 365 G N -0.964 107.197 108.800 -1.066 0.000 2.576 365 G HA2 0.698 4.657 3.960 -0.001 0.000 0.290 365 G HA3 0.698 4.657 3.960 -0.001 0.000 0.290 365 G C 0.062 174.402 174.900 -0.933 0.000 1.442 365 G CA -0.184 44.526 45.100 -0.651 0.000 0.792 365 G HN 1.419 nan 8.290 nan 0.000 0.491 366 A N -0.847 121.407 122.820 -0.944 0.000 2.238 366 A HA 0.529 4.848 4.320 -0.001 0.000 0.210 366 A C 0.814 178.352 177.584 -0.077 0.000 1.179 366 A CA 1.496 53.173 52.037 -0.601 0.000 0.827 366 A CB 0.018 18.668 19.000 -0.583 0.000 0.856 366 A HN 0.931 nan 8.150 nan 0.000 0.488 367 Q N -1.490 118.390 119.800 0.135 0.000 2.647 367 Q HA 0.400 4.739 4.340 -0.001 0.000 0.283 367 Q C -2.402 173.868 176.000 0.450 0.000 0.943 367 Q CA -0.562 55.394 55.803 0.254 0.000 0.813 367 Q CB 0.716 29.530 28.738 0.127 0.000 1.477 367 Q HN 0.134 nan 8.270 nan 0.000 0.393 368 F N 1.039 121.083 119.950 0.156 0.000 2.507 368 F HA 0.632 5.159 4.527 -0.001 0.000 0.325 368 F C -0.736 175.063 175.800 -0.001 0.000 1.116 368 F CA -0.148 57.856 58.000 0.007 0.000 0.930 368 F CB 2.168 40.967 39.000 -0.334 0.000 1.146 368 F HN 0.460 nan 8.300 nan 0.000 0.447 369 S N 3.188 118.870 115.700 -0.030 0.000 2.578 369 S HA 0.902 5.371 4.470 -0.001 0.000 0.301 369 S C -0.967 173.635 174.600 0.004 0.000 1.091 369 S CA -0.655 57.551 58.200 0.010 0.000 1.032 369 S CB 1.673 64.834 63.200 -0.066 0.000 1.064 369 S HN 0.793 nan 8.310 nan 0.000 0.508 370 A N 1.648 124.454 122.820 -0.022 0.000 2.375 370 A HA 0.680 4.999 4.320 -0.001 0.000 0.295 370 A C -0.042 177.349 177.584 -0.322 0.000 1.066 370 A CA -0.616 51.357 52.037 -0.107 0.000 0.722 370 A CB 0.141 19.183 19.000 0.070 0.000 1.206 370 A HN 0.920 nan 8.150 nan 0.000 0.435 371 E N 1.341 121.114 120.200 -0.711 0.000 2.440 371 E HA -0.277 4.072 4.350 -0.001 0.000 0.246 371 E C 1.054 177.210 176.600 -0.741 0.000 1.165 371 E CA 1.286 57.053 56.400 -1.056 0.000 0.726 371 E CB -1.462 27.986 29.700 -0.419 0.000 1.271 371 E HN 2.313 nan 8.360 nan 0.000 0.397 372 G N -0.171 108.185 108.800 -0.740 0.000 2.179 372 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.260 372 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.260 372 G C 0.146 175.107 174.900 0.101 0.000 0.977 372 G CA 0.751 45.736 45.100 -0.193 0.000 0.641 372 G HN 0.227 nan 8.290 nan 0.000 0.533 373 K N 0.828 121.220 120.400 -0.013 0.000 2.221 373 K HA 0.487 4.806 4.320 -0.001 0.000 0.258 373 K C -0.091 176.540 176.600 0.051 0.000 0.944 373 K CA -0.480 55.834 56.287 0.044 0.000 0.823 373 K CB 1.267 33.780 32.500 0.022 0.000 1.113 373 K HN 0.060 nan 8.250 nan 0.000 0.431 374 T N 2.090 116.691 114.554 0.079 0.000 2.784 374 T HA 0.016 4.365 4.350 -0.001 0.000 0.291 374 T C 1.258 176.025 174.700 0.112 0.000 0.942 374 T CA -0.193 61.966 62.100 0.099 0.000 1.161 374 T CB 0.215 69.136 68.868 0.089 0.000 0.885 374 T HN 0.476 nan 8.240 nan 0.000 0.534 375 V N 0.887 120.894 119.914 0.155 0.000 3.643 375 V HA 0.482 4.601 4.120 -0.001 0.000 0.280 375 V C 0.642 176.818 176.094 0.136 0.000 1.351 375 V CA -0.215 62.191 62.300 0.178 0.000 1.073 375 V CB 0.280 32.278 31.823 0.292 0.000 0.863 375 V HN 0.679 nan 8.190 nan 0.000 0.436 376 S N -0.137 115.640 115.700 0.127 0.000 2.562 376 S HA 0.427 4.896 4.470 -0.001 0.000 0.274 376 S C -0.117 174.560 174.600 0.127 0.000 1.160 376 S CA -0.405 57.853 58.200 0.097 0.000 0.933 376 S CB 2.002 65.221 63.200 0.031 0.000 1.100 376 S HN 0.264 nan 8.310 nan 0.000 0.468 377 E N 1.877 122.134 120.200 0.095 0.000 2.479 377 E HA 0.142 4.491 4.350 -0.001 0.000 0.193 377 E C -0.119 176.542 176.600 0.102 0.000 1.049 377 E CA 0.160 56.612 56.400 0.087 0.000 0.870 377 E CB 0.337 30.063 29.700 0.043 0.000 0.944 377 E HN 0.565 nan 8.360 nan 0.000 0.492 378 Q N 0.797 120.676 119.800 0.132 0.000 2.259 378 Q HA 0.174 4.513 4.340 -0.001 0.000 0.249 378 Q C 0.127 176.264 176.000 0.229 0.000 0.914 378 Q CA -0.043 55.848 55.803 0.147 0.000 0.904 378 Q CB 0.965 29.782 28.738 0.131 0.000 1.213 378 Q HN 0.142 nan 8.270 nan 0.000 0.428 379 E N 2.557 122.858 120.200 0.169 0.000 2.437 379 E HA 0.090 4.440 4.350 -0.001 0.000 0.263 379 E C -0.344 176.435 176.600 0.298 0.000 1.030 379 E CA 0.277 56.773 56.400 0.161 0.000 0.934 379 E CB 0.534 30.317 29.700 0.139 0.000 0.943 379 E HN 0.499 nan 8.360 nan 0.000 0.444 380 W N 1.504 122.890 121.300 0.142 0.000 3.248 380 W HA 0.388 5.047 4.660 -0.001 0.000 0.311 380 W C -1.730 174.900 176.519 0.185 0.000 1.258 380 W CA -1.047 56.386 57.345 0.147 0.000 1.191 380 W CB 0.353 29.912 29.460 0.165 0.000 1.389 380 W HN 0.581 nan 8.180 nan 0.000 0.561 381 N N 1.549 120.379 118.700 0.217 0.000 2.225 381 N HA 0.531 5.271 4.740 -0.001 0.000 0.298 381 N C -1.737 174.020 175.510 0.412 0.000 1.076 381 N CA -0.665 52.429 53.050 0.073 0.000 0.792 381 N CB 2.063 40.522 38.487 -0.048 0.000 1.498 381 N HN 0.417 nan 8.380 nan 0.000 0.474 382 N N 0.865 119.857 118.700 0.486 0.000 2.932 382 N HA 0.196 4.935 4.740 -0.001 0.000 0.242 382 N C -0.597 175.116 175.510 0.339 0.000 1.351 382 N CA -0.312 52.974 53.050 0.394 0.000 0.785 382 N CB 0.884 39.613 38.487 0.404 0.000 1.501 382 N HN 0.712 nan 8.380 nan 0.000 0.584 383 R N 0.204 120.828 120.500 0.207 0.000 2.293 383 R HA 0.039 4.379 4.340 -0.001 0.000 0.219 383 R C 1.239 177.631 176.300 0.154 0.000 1.091 383 R CA 0.966 57.178 56.100 0.187 0.000 1.004 383 R CB 0.133 30.529 30.300 0.161 0.000 0.865 383 R HN 0.329 nan 8.270 nan 0.000 0.469 384 S N 0.741 116.519 115.700 0.131 0.000 2.442 384 S HA -0.024 4.445 4.470 -0.001 0.000 0.236 384 S C 1.505 176.163 174.600 0.097 0.000 1.007 384 S CA 0.825 59.074 58.200 0.082 0.000 0.965 384 S CB 0.042 63.285 63.200 0.072 0.000 0.773 384 S HN 0.306 nan 8.310 nan 0.000 0.504 385 L N 0.640 121.972 121.223 0.182 0.000 2.585 385 L HA 0.208 4.547 4.340 -0.001 0.000 0.226 385 L C 1.061 178.104 176.870 0.289 0.000 1.113 385 L CA -0.030 54.947 54.840 0.228 0.000 0.876 385 L CB -0.221 41.972 42.059 0.223 0.000 1.072 385 L HN 0.277 nan 8.230 nan 0.000 0.468 386 Q N 1.633 121.584 119.800 0.253 0.000 2.263 386 Q HA -0.017 4.322 4.340 -0.001 0.000 0.289 386 Q C -0.584 175.531 176.000 0.192 0.000 1.061 386 Q CA 0.096 56.036 55.803 0.228 0.000 0.927 386 Q CB 0.780 29.649 28.738 0.218 0.000 1.154 386 Q HN 0.170 nan 8.270 nan 0.000 0.378 387 D N 1.951 122.457 120.400 0.177 0.000 2.411 387 D HA 0.151 4.790 4.640 -0.001 0.000 0.251 387 D C -0.518 175.851 176.300 0.115 0.000 1.201 387 D CA -0.376 53.699 54.000 0.124 0.000 0.996 387 D CB 0.921 41.745 40.800 0.041 0.000 1.101 387 D HN 0.306 nan 8.370 nan 0.000 0.504 388 V N 1.888 121.869 119.914 0.112 0.000 2.421 388 V HA 0.084 4.203 4.120 -0.001 0.000 0.271 388 V C 0.600 176.867 176.094 0.288 0.000 1.031 388 V CA -0.015 62.397 62.300 0.187 0.000 1.032 388 V CB -0.411 31.581 31.823 0.282 0.000 1.009 388 V HN 0.200 nan 8.190 nan 0.000 0.477 389 L N 6.743 128.089 121.223 0.205 0.000 2.400 389 L HA 0.501 4.840 4.340 -0.001 0.000 0.264 389 L C -2.175 174.624 176.870 -0.118 0.000 1.061 389 L CA -2.166 52.802 54.840 0.213 0.000 0.799 389 L CB 0.888 43.051 42.059 0.173 0.000 1.240 389 L HN 0.351 nan 8.230 nan 0.000 0.461 390 P HA -0.018 nan 4.420 nan 0.000 0.264 390 P C 0.347 177.030 177.300 -1.028 0.000 1.183 390 P CA 0.253 62.758 63.100 -0.992 0.000 0.763 390 P CB 0.465 31.857 31.700 -0.513 0.000 0.807 391 T N 1.002 114.837 114.554 -1.198 0.000 2.759 391 T HA -0.093 4.256 4.350 -0.001 0.000 0.269 391 T C 0.209 174.251 174.700 -1.096 0.000 1.042 391 T CA 1.196 62.513 62.100 -1.305 0.000 1.140 391 T CB -0.169 67.761 68.868 -1.562 0.000 0.864 391 T HN 0.427 nan 8.240 nan 0.000 0.455 392 W N 2.051 123.078 121.300 -0.455 0.000 2.471 392 W HA 0.511 5.170 4.660 -0.001 0.000 0.318 392 W C -0.359 175.891 176.519 -0.449 0.000 1.034 392 W CA -1.047 56.132 57.345 -0.276 0.000 1.224 392 W CB 0.604 29.976 29.460 -0.146 0.000 1.335 392 W HN -0.151 nan 8.180 nan 0.000 0.452 393 R N 2.964 123.315 120.500 -0.247 0.000 2.513 393 R HA 0.323 4.662 4.340 -0.001 0.000 0.283 393 R C -1.335 174.808 176.300 -0.261 0.000 1.535 393 R CA -0.346 55.188 56.100 -0.944 0.000 1.315 393 R CB 0.803 30.506 30.300 -0.994 0.000 1.163 393 R HN 0.412 nan 8.270 nan 0.000 0.573 394 W N 2.292 123.682 121.300 0.149 0.000 3.032 394 W HA 0.540 5.199 4.660 -0.002 0.000 0.335 394 W C -0.147 176.371 176.519 -0.002 0.000 1.154 394 W CA -0.654 56.729 57.345 0.064 0.000 1.204 394 W CB 1.600 31.066 29.460 0.009 0.000 1.416 394 W HN 0.176 nan 8.180 nan 0.000 0.521 395 I N 3.055 123.719 120.570 0.157 0.000 2.382 395 I HA 0.291 4.460 4.170 -0.001 0.000 0.285 395 I C -0.374 175.603 176.117 -0.234 0.000 1.007 395 I CA -0.704 60.533 61.300 -0.104 0.000 1.142 395 I CB 0.940 38.769 38.000 -0.286 0.000 1.289 395 I HN 0.358 nan 8.210 nan 0.000 0.453 396 Q N 5.259 124.908 119.800 -0.252 0.000 2.387 396 Q HA 0.582 4.922 4.340 -0.001 0.000 0.273 396 Q C -1.228 174.537 176.000 -0.392 0.000 1.089 396 Q CA -1.028 54.627 55.803 -0.246 0.000 0.824 396 Q CB 2.874 31.625 28.738 0.022 0.000 1.367 396 Q HN 0.474 nan 8.270 nan 0.000 0.443 397 H N 0.071 119.148 119.070 0.011 0.000 2.689 397 H HA 0.535 5.090 4.556 -0.001 0.000 0.346 397 H C 0.246 175.583 175.328 0.015 0.000 1.037 397 H CA 0.054 56.097 56.048 -0.008 0.000 1.234 397 H CB 1.722 31.456 29.762 -0.047 0.000 1.572 397 H HN 0.925 nan 8.280 nan 0.000 0.524 398 G N 1.213 110.088 108.800 0.125 0.000 2.787 398 G HA2 0.276 4.235 3.960 -0.001 0.000 0.685 398 G HA3 0.276 4.235 3.960 -0.001 0.000 0.685 398 G C 0.279 175.194 174.900 0.025 0.000 1.437 398 G CA -0.044 45.092 45.100 0.060 0.000 0.872 398 G HN 1.409 nan 8.290 nan 0.000 0.566 399 G N -0.210 108.576 108.800 -0.023 0.000 2.782 399 G HA2 0.312 4.271 3.960 -0.001 0.000 0.228 399 G HA3 0.312 4.271 3.960 -0.001 0.000 0.228 399 G C -0.204 174.650 174.900 -0.076 0.000 1.372 399 G CA 0.921 45.973 45.100 -0.079 0.000 0.862 399 G HN 2.146 nan 8.290 nan 0.000 0.547 400 D N -0.252 120.076 120.400 -0.120 0.000 2.795 400 D HA 0.503 5.142 4.640 -0.001 0.000 0.335 400 D C 0.018 176.216 176.300 -0.170 0.000 1.262 400 D CA -0.454 53.478 54.000 -0.114 0.000 0.885 400 D CB -0.060 40.678 40.800 -0.103 0.000 1.047 400 D HN 0.347 nan 8.370 nan 0.000 0.500 401 L N 1.084 122.206 121.223 -0.168 0.000 2.334 401 L HA 0.572 4.911 4.340 -0.001 0.000 0.272 401 L C 0.340 177.118 176.870 -0.153 0.000 1.020 401 L CA -0.900 53.791 54.840 -0.248 0.000 0.812 401 L CB 1.494 43.313 42.059 -0.399 0.000 1.264 401 L HN 0.252 nan 8.230 nan 0.000 0.439 402 E N 0.821 120.858 120.200 -0.271 0.000 2.212 402 E HA 0.750 5.100 4.350 -0.001 0.000 0.268 402 E C -1.406 175.111 176.600 -0.139 0.000 0.902 402 E CA -0.775 55.501 56.400 -0.207 0.000 0.779 402 E CB 2.089 31.623 29.700 -0.277 0.000 1.172 402 E HN 0.709 nan 8.360 nan 0.000 0.409 403 A N 3.083 125.690 122.820 -0.355 0.000 2.318 403 A HA 0.654 4.973 4.320 -0.001 0.000 0.324 403 A C -0.539 176.401 177.584 -1.073 0.000 1.170 403 A CA -0.362 51.174 52.037 -0.835 0.000 0.810 403 A CB 1.834 19.988 19.000 -1.409 0.000 1.198 403 A HN 0.549 nan 8.150 nan 0.000 0.484 404 T N 0.994 115.110 114.554 -0.730 0.000 2.802 404 T HA 0.597 4.946 4.350 -0.001 0.000 0.311 404 T C -1.477 173.015 174.700 -0.346 0.000 1.405 404 T CA -0.424 61.502 62.100 -0.290 0.000 1.016 404 T CB 0.388 69.279 68.868 0.037 0.000 1.352 404 T HN 0.363 nan 8.240 nan 0.000 0.498 405 F N 2.210 122.154 119.950 -0.011 0.000 2.412 405 F HA 0.584 5.110 4.527 -0.001 0.000 0.348 405 F C 1.096 176.517 175.800 -0.632 0.000 1.102 405 F CA -0.110 57.692 58.000 -0.331 0.000 1.196 405 F CB 1.534 40.277 39.000 -0.428 0.000 1.144 405 F HN 0.389 nan 8.300 nan 0.000 0.541 406 S N 3.324 118.801 115.700 -0.372 0.000 2.472 406 S HA 0.363 4.832 4.470 -0.001 0.000 0.303 406 S C -0.224 174.153 174.600 -0.372 0.000 1.099 406 S CA -0.629 57.430 58.200 -0.234 0.000 1.077 406 S CB 0.635 63.908 63.200 0.122 0.000 1.031 406 S HN 0.698 nan 8.310 nan 0.000 0.487 407 W N 2.620 124.024 121.300 0.173 0.000 3.123 407 W HA 0.283 4.942 4.660 -0.001 0.000 0.383 407 W C 0.826 177.355 176.519 0.016 0.000 1.102 407 W CA -0.311 57.087 57.345 0.088 0.000 1.865 407 W CB 0.245 29.749 29.460 0.074 0.000 1.111 407 W HN 0.709 nan 8.180 nan 0.000 0.621 408 E N 0.585 120.875 120.200 0.150 0.000 2.190 408 E HA 0.004 4.353 4.350 -0.001 0.000 0.191 408 E C 0.491 177.073 176.600 -0.030 0.000 0.978 408 E CA 1.037 57.462 56.400 0.042 0.000 0.839 408 E CB 0.482 30.179 29.700 -0.005 0.000 0.787 408 E HN 0.172 nan 8.360 nan 0.000 0.473 409 E N -0.101 120.064 120.200 -0.058 0.000 2.266 409 E HA 0.675 5.025 4.350 -0.001 0.000 0.268 409 E C -0.956 175.781 176.600 0.229 0.000 0.879 409 E CA -0.760 55.638 56.400 -0.004 0.000 0.762 409 E CB 2.509 31.971 29.700 -0.397 0.000 1.199 409 E HN 0.001 nan 8.360 nan 0.000 0.422 410 A N 1.982 125.016 122.820 0.357 0.000 2.566 410 A HA 0.482 4.801 4.320 -0.001 0.000 0.297 410 A C -0.946 176.641 177.584 0.004 0.000 1.059 410 A CA -0.682 51.488 52.037 0.223 0.000 0.691 410 A CB 0.702 19.761 19.000 0.098 0.000 1.282 410 A HN 0.654 nan 8.150 nan 0.000 0.401 411 F N 0.747 120.390 119.950 -0.512 0.000 2.274 411 F HA 0.317 4.843 4.527 -0.001 0.000 0.288 411 F C 0.397 175.986 175.800 -0.352 0.000 1.069 411 F CA 0.940 58.444 58.000 -0.826 0.000 1.343 411 F CB 0.477 38.861 39.000 -1.027 0.000 1.089 411 F HN 0.486 nan 8.300 nan 0.000 0.517 412 E N 0.710 120.795 120.200 -0.192 0.000 2.283 412 E HA 0.467 4.816 4.350 -0.001 0.000 0.258 412 E C 0.100 176.530 176.600 -0.283 0.000 0.893 412 E CA 0.313 56.560 56.400 -0.254 0.000 0.798 412 E CB 1.117 30.630 29.700 -0.312 0.000 1.242 412 E HN 0.487 nan 8.360 nan 0.000 0.414 413 G N 2.220 110.582 108.800 -0.731 0.000 2.445 413 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.212 413 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.212 413 G C 0.444 175.012 174.900 -0.552 0.000 1.217 413 G CA -0.201 44.217 45.100 -1.136 0.000 1.002 413 G HN 0.599 nan 8.290 nan 0.000 0.574 414 G N -0.282 108.597 108.800 0.132 0.000 3.377 414 G HA2 0.662 4.621 3.960 -0.001 0.000 0.257 414 G HA3 0.662 4.621 3.960 -0.001 0.000 0.257 414 G C 0.429 175.511 174.900 0.303 0.000 1.038 414 G CA 1.664 46.975 45.100 0.353 0.000 0.809 414 G HN 1.991 nan 8.290 nan 0.000 0.526 415 S N -0.570 115.261 115.700 0.218 0.000 2.607 415 S HA 0.825 5.294 4.470 -0.001 0.000 0.273 415 S C -0.656 174.064 174.600 0.199 0.000 1.148 415 S CA -0.121 58.140 58.200 0.101 0.000 0.833 415 S CB 2.078 65.248 63.200 -0.051 0.000 1.130 415 S HN 0.777 nan 8.310 nan 0.000 0.470 416 S N 0.196 116.001 115.700 0.175 0.000 2.651 416 S HA 0.746 5.216 4.470 -0.001 0.000 0.279 416 S C -1.375 173.290 174.600 0.108 0.000 1.148 416 S CA -0.937 57.425 58.200 0.269 0.000 0.837 416 S CB 1.101 64.543 63.200 0.403 0.000 1.138 416 S HN 1.249 nan 8.310 nan 0.000 0.478 417 L N 1.727 122.857 121.223 -0.155 0.000 2.265 417 L HA 0.505 4.845 4.340 -0.001 0.000 0.288 417 L C -0.033 176.680 176.870 -0.262 0.000 1.058 417 L CA 0.083 54.659 54.840 -0.440 0.000 0.809 417 L CB 0.842 42.355 42.059 -0.910 0.000 1.179 417 L HN 0.880 nan 8.230 nan 0.000 0.429 418 Q N 4.393 124.033 119.800 -0.267 0.000 2.290 418 Q HA 0.237 4.576 4.340 -0.001 0.000 0.259 418 Q C -1.927 174.006 176.000 -0.112 0.000 0.941 418 Q CA -0.605 55.055 55.803 -0.238 0.000 0.912 418 Q CB 0.958 29.557 28.738 -0.232 0.000 1.244 418 Q HN 0.753 nan 8.270 nan 0.000 0.441 419 W N 6.002 127.151 121.300 -0.251 0.000 2.463 419 W HA 0.321 4.980 4.660 -0.002 0.000 0.316 419 W C -1.537 174.981 176.519 -0.001 0.000 1.004 419 W CA -0.465 56.794 57.345 -0.144 0.000 1.309 419 W CB 0.362 29.735 29.460 -0.146 0.000 1.288 419 W HN 0.786 nan 8.180 nan 0.000 0.423 420 H N 3.224 122.173 119.070 -0.202 0.000 3.046 420 H HA 0.881 5.436 4.556 -0.001 0.000 0.361 420 H C 0.088 175.276 175.328 -0.235 0.000 1.235 420 H CA -0.494 55.396 56.048 -0.265 0.000 1.146 420 H CB 1.730 31.352 29.762 -0.234 0.000 1.859 420 H HN 0.717 nan 8.280 nan 0.000 0.548 421 G N 0.247 108.873 108.800 -0.290 0.000 2.292 421 G HA2 0.189 4.148 3.960 -0.001 0.000 0.194 421 G HA3 0.189 4.148 3.960 -0.001 0.000 0.194 421 G C -1.418 173.338 174.900 -0.240 0.000 1.329 421 G CA -0.387 44.539 45.100 -0.289 0.000 1.100 421 G HN 0.744 nan 8.290 nan 0.000 0.470 422 S N -0.139 115.427 115.700 -0.223 0.000 2.462 422 S HA 0.708 5.177 4.470 -0.001 0.000 0.294 422 S C -0.893 173.580 174.600 -0.212 0.000 1.144 422 S CA -0.256 57.822 58.200 -0.203 0.000 1.088 422 S CB 1.473 64.581 63.200 -0.154 0.000 1.009 422 S HN 1.085 nan 8.310 nan 0.000 0.484 423 L N 3.491 124.586 121.223 -0.214 0.000 2.504 423 L HA 0.637 4.977 4.340 -0.001 0.000 0.265 423 L C -0.090 176.680 176.870 -0.166 0.000 0.975 423 L CA -0.224 54.498 54.840 -0.195 0.000 0.864 423 L CB 0.856 42.775 42.059 -0.232 0.000 1.212 423 L HN 0.733 nan 8.230 nan 0.000 0.416 424 A N 3.354 126.093 122.820 -0.135 0.000 2.425 424 A HA 0.253 4.572 4.320 -0.001 0.000 0.242 424 A C 0.307 177.821 177.584 -0.117 0.000 1.077 424 A CA -0.179 51.789 52.037 -0.115 0.000 0.781 424 A CB 0.066 19.013 19.000 -0.090 0.000 1.020 424 A HN 0.763 nan 8.150 nan 0.000 0.494 425 E N 0.434 120.573 120.200 -0.102 0.000 2.694 425 E HA 0.235 4.584 4.350 -0.001 0.000 0.250 425 E C 1.329 177.869 176.600 -0.100 0.000 0.963 425 E CA 1.171 57.514 56.400 -0.095 0.000 0.949 425 E CB -0.170 29.487 29.700 -0.072 0.000 0.911 425 E HN 1.458 nan 8.360 nan 0.000 0.500 426 G N 3.675 112.396 108.800 -0.132 0.000 2.205 426 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.261 426 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.261 426 G C 0.200 174.971 174.900 -0.216 0.000 0.980 426 G CA 0.477 45.485 45.100 -0.154 0.000 0.632 426 G HN 0.663 nan 8.290 nan 0.000 0.533 427 E N 1.121 121.209 120.200 -0.187 0.000 2.373 427 E HA 0.398 4.747 4.350 -0.001 0.000 0.267 427 E C -0.161 176.275 176.600 -0.273 0.000 1.032 427 E CA -0.626 55.681 56.400 -0.155 0.000 0.889 427 E CB 0.262 29.902 29.700 -0.099 0.000 0.984 427 E HN 0.470 nan 8.360 nan 0.000 0.425 428 H N 1.634 120.669 119.070 -0.059 0.000 2.472 428 H HA 0.609 5.165 4.556 -0.001 0.000 0.338 428 H C -0.813 174.475 175.328 -0.067 0.000 1.133 428 H CA -0.620 55.386 56.048 -0.070 0.000 1.216 428 H CB 1.857 31.574 29.762 -0.074 0.000 1.497 428 H HN 0.587 nan 8.280 nan 0.000 0.500 429 A N 2.754 125.604 122.820 0.049 0.000 2.449 429 A HA 0.555 4.874 4.320 -0.001 0.000 0.302 429 A C -1.034 176.656 177.584 0.177 0.000 1.048 429 A CA -0.766 51.319 52.037 0.081 0.000 0.708 429 A CB 2.030 21.017 19.000 -0.022 0.000 1.274 429 A HN 0.651 nan 8.150 nan 0.000 0.410 430 Q N 0.100 119.998 119.800 0.164 0.000 2.397 430 Q HA 0.723 5.062 4.340 -0.001 0.000 0.275 430 Q C -1.195 174.743 176.000 -0.104 0.000 1.090 430 Q CA -0.204 55.571 55.803 -0.047 0.000 0.809 430 Q CB 2.992 31.563 28.738 -0.278 0.000 1.362 430 Q HN 0.739 nan 8.270 nan 0.000 0.431 431 I N 0.715 121.048 120.570 -0.396 0.000 2.478 431 I HA 0.363 4.532 4.170 -0.001 0.000 0.287 431 I C -1.165 174.735 176.117 -0.363 0.000 1.042 431 I CA -0.513 60.484 61.300 -0.506 0.000 1.067 431 I CB 1.340 38.715 38.000 -1.041 0.000 1.233 431 I HN 0.614 nan 8.210 nan 0.000 0.431 432 E N 7.097 127.116 120.200 -0.301 0.000 2.167 432 E HA 0.294 4.643 4.350 -0.001 0.000 0.284 432 E C 0.049 176.769 176.600 0.199 0.000 1.016 432 E CA -0.239 56.031 56.400 -0.217 0.000 0.817 432 E CB 1.987 31.414 29.700 -0.456 0.000 1.080 432 E HN 0.666 nan 8.360 nan 0.000 0.397 433 L N 2.288 123.644 121.223 0.222 0.000 2.515 433 L HA 0.215 4.554 4.340 -0.001 0.000 0.202 433 L C -0.128 176.523 176.870 -0.364 0.000 1.056 433 L CA 0.243 55.107 54.840 0.041 0.000 0.847 433 L CB 0.408 42.496 42.059 0.048 0.000 1.131 433 L HN 0.501 nan 8.230 nan 0.000 0.484 434 Y N -0.089 120.135 120.300 -0.126 0.000 2.409 434 Y HA 0.450 4.999 4.550 -0.001 0.000 0.343 434 Y C -0.108 175.471 175.900 -0.535 0.000 0.973 434 Y CA -0.930 56.889 58.100 -0.469 0.000 1.064 434 Y CB 1.696 39.980 38.460 -0.293 0.000 1.207 434 Y HN -0.072 nan 8.280 nan 0.000 0.452 435 Q N 2.384 121.765 119.800 -0.698 0.000 2.267 435 Q HA 0.527 4.866 4.340 -0.001 0.000 0.255 435 Q C -0.452 175.416 176.000 -0.220 0.000 0.923 435 Q CA -0.218 55.413 55.803 -0.288 0.000 0.925 435 Q CB 0.955 29.530 28.738 -0.273 0.000 1.195 435 Q HN 0.783 nan 8.270 nan 0.000 0.417 436 T N 0.168 114.630 114.554 -0.153 0.000 2.838 436 T HA 0.605 4.954 4.350 -0.001 0.000 0.292 436 T C -0.906 173.703 174.700 -0.152 0.000 1.113 436 T CA -0.974 60.991 62.100 -0.226 0.000 1.008 436 T CB 1.512 70.204 68.868 -0.292 0.000 1.259 436 T HN 0.598 nan 8.240 nan 0.000 0.520 437 E N 0.956 121.061 120.200 -0.159 0.000 2.908 437 E HA 0.421 4.770 4.350 -0.001 0.000 0.291 437 E C -1.576 174.966 176.600 -0.097 0.000 1.154 437 E CA -0.431 55.907 56.400 -0.103 0.000 0.784 437 E CB 0.376 30.031 29.700 -0.075 0.000 1.500 437 E HN 0.601 nan 8.360 nan 0.000 0.382 438 L N 4.197 125.363 121.223 -0.095 0.000 2.318 438 L HA 0.503 4.842 4.340 -0.001 0.000 0.277 438 L C -2.384 174.457 176.870 -0.048 0.000 1.008 438 L CA -2.231 52.565 54.840 -0.073 0.000 0.846 438 L CB 1.444 43.450 42.059 -0.087 0.000 1.220 438 L HN 0.244 nan 8.230 nan 0.000 0.423 439 P HA 0.176 nan 4.420 nan 0.000 0.271 439 P C -0.447 176.848 177.300 -0.008 0.000 1.233 439 P CA 0.142 63.233 63.100 -0.014 0.000 0.764 439 P CB 0.472 32.168 31.700 -0.007 0.000 0.825 440 I N 2.589 123.159 120.570 -0.001 0.000 2.371 440 I HA 0.244 4.413 4.170 -0.001 0.000 0.290 440 I C 1.001 177.133 176.117 0.024 0.000 1.028 440 I CA 0.191 61.498 61.300 0.011 0.000 1.345 440 I CB 0.738 38.756 38.000 0.029 0.000 1.407 440 I HN 0.367 nan 8.210 nan 0.000 0.501 441 S N 3.656 119.368 115.700 0.020 0.000 2.745 441 S HA 0.522 4.991 4.470 -0.001 0.000 0.306 441 S C -0.600 174.013 174.600 0.021 0.000 1.137 441 S CA -1.096 57.116 58.200 0.020 0.000 0.900 441 S CB 1.259 64.468 63.200 0.015 0.000 1.176 441 S HN 0.555 nan 8.310 nan 0.000 0.520 442 E N -0.111 120.099 120.200 0.017 0.000 2.384 442 E HA 0.439 4.788 4.350 -0.001 0.000 0.266 442 E C 1.052 177.662 176.600 0.016 0.000 1.012 442 E CA 0.878 57.287 56.400 0.015 0.000 0.901 442 E CB 0.351 30.057 29.700 0.010 0.000 0.967 442 E HN 1.123 nan 8.360 nan 0.000 0.435 443 G N 2.839 111.650 108.800 0.018 0.000 2.176 443 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.253 443 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.253 443 G C 0.375 175.289 174.900 0.022 0.000 0.979 443 G CA 0.238 45.350 45.100 0.020 0.000 0.641 443 G HN 0.525 nan 8.290 nan 0.000 0.530 444 T N 1.599 116.165 114.554 0.021 0.000 2.832 444 T HA 0.586 4.935 4.350 -0.001 0.000 0.296 444 T C 0.199 174.910 174.700 0.019 0.000 0.968 444 T CA 0.707 62.817 62.100 0.016 0.000 1.107 444 T CB 1.525 70.398 68.868 0.008 0.000 0.916 444 T HN 0.351 nan 8.240 nan 0.000 0.517 445 S N 2.159 117.873 115.700 0.024 0.000 2.570 445 S HA 0.550 5.019 4.470 -0.001 0.000 0.286 445 S C -0.702 173.928 174.600 0.050 0.000 1.099 445 S CA -0.791 57.434 58.200 0.042 0.000 0.913 445 S CB 1.343 64.584 63.200 0.067 0.000 1.085 445 S HN 0.519 nan 8.310 nan 0.000 0.480 446 L N 2.769 124.039 121.223 0.080 0.000 2.292 446 L HA 0.555 4.894 4.340 -0.001 0.000 0.284 446 L C 0.122 177.213 176.870 0.368 0.000 1.065 446 L CA -0.057 54.882 54.840 0.166 0.000 0.806 446 L CB 1.254 43.368 42.059 0.092 0.000 1.175 446 L HN 0.827 nan 8.230 nan 0.000 0.431 447 T N -0.404 114.373 114.554 0.372 0.000 2.893 447 T HA 0.703 5.053 4.350 -0.001 0.000 0.293 447 T C -1.130 173.919 174.700 0.581 0.000 1.027 447 T CA -0.745 61.587 62.100 0.387 0.000 0.988 447 T CB 1.393 70.352 68.868 0.151 0.000 1.043 447 T HN 0.639 nan 8.240 nan 0.000 0.461 448 W N 0.142 121.586 121.300 0.240 0.000 3.217 448 W HA 0.708 5.367 4.660 -0.001 0.000 0.323 448 W C -1.755 174.933 176.519 0.281 0.000 1.216 448 W CA -1.135 56.387 57.345 0.296 0.000 1.194 448 W CB 1.042 30.802 29.460 0.501 0.000 1.397 448 W HN 0.684 nan 8.180 nan 0.000 0.537 449 T N 3.734 118.459 114.554 0.285 0.000 2.879 449 T HA 0.682 5.031 4.350 -0.001 0.000 0.290 449 T C -1.209 173.729 174.700 0.397 0.000 0.993 449 T CA -0.476 61.652 62.100 0.047 0.000 0.975 449 T CB 0.964 69.484 68.868 -0.579 0.000 0.981 449 T HN 0.603 nan 8.240 nan 0.000 0.439 450 F N -0.195 119.920 119.950 0.276 0.000 2.685 450 F HA 0.823 5.350 4.527 -0.001 0.000 0.315 450 F C -1.385 174.482 175.800 0.111 0.000 1.126 450 F CA -1.413 56.790 58.000 0.337 0.000 0.950 450 F CB 1.479 40.620 39.000 0.234 0.000 1.360 450 F HN 0.227 nan 8.300 nan 0.000 0.469 451 K N 0.867 121.206 120.400 -0.102 0.000 2.259 451 K HA 0.647 4.966 4.320 -0.001 0.000 0.249 451 K C -1.392 175.296 176.600 0.147 0.000 0.942 451 K CA -1.112 54.985 56.287 -0.317 0.000 0.816 451 K CB 2.102 34.211 32.500 -0.653 0.000 1.155 451 K HN 0.727 nan 8.250 nan 0.000 0.428 452 S N 1.575 117.302 115.700 0.046 0.000 2.659 452 S HA 0.160 4.629 4.470 -0.001 0.000 0.312 452 S C 0.155 174.640 174.600 -0.191 0.000 1.114 452 S CA -0.597 57.583 58.200 -0.034 0.000 1.063 452 S CB 0.889 64.205 63.200 0.194 0.000 0.996 452 S HN 0.536 nan 8.310 nan 0.000 0.478 453 E N 2.581 122.589 120.200 -0.320 0.000 2.371 453 E HA 0.045 4.395 4.350 -0.001 0.000 0.194 453 E C 0.284 176.500 176.600 -0.640 0.000 1.012 453 E CA 0.714 56.852 56.400 -0.436 0.000 0.860 453 E CB 0.014 29.433 29.700 -0.468 0.000 0.811 453 E HN 0.698 nan 8.360 nan 0.000 0.502 454 H N 0.077 119.029 119.070 -0.197 0.000 2.567 454 H HA 0.149 4.704 4.556 -0.001 0.000 0.267 454 H C -0.309 174.951 175.328 -0.114 0.000 1.148 454 H CA -0.182 55.773 56.048 -0.154 0.000 1.031 454 H CB 0.803 30.456 29.762 -0.180 0.000 1.691 454 H HN 0.004 nan 8.280 nan 0.000 0.588 455 D N 0.306 120.690 120.400 -0.027 0.000 2.946 455 D HA -0.169 4.470 4.640 -0.001 0.000 0.202 455 D C -0.200 176.162 176.300 0.104 0.000 1.068 455 D CA 0.671 54.694 54.000 0.038 0.000 1.011 455 D CB -1.463 39.356 40.800 0.031 0.000 1.105 455 D HN 0.451 nan 8.370 nan 0.000 0.425 456 N N 1.768 120.512 118.700 0.074 0.000 2.458 456 N HA 0.195 4.935 4.740 -0.001 0.000 0.258 456 N C -0.036 175.716 175.510 0.403 0.000 1.219 456 N CA 0.246 53.404 53.050 0.180 0.000 0.902 456 N CB 0.531 39.113 38.487 0.158 0.000 1.076 456 N HN 0.120 nan 8.380 nan 0.000 0.455 457 D N 0.438 121.063 120.400 0.376 0.000 2.344 457 D HA 0.279 4.918 4.640 -0.001 0.000 0.244 457 D C -1.049 175.392 176.300 0.235 0.000 1.134 457 D CA -0.387 53.881 54.000 0.447 0.000 0.930 457 D CB 0.621 41.647 40.800 0.376 0.000 1.175 457 D HN 0.263 nan 8.370 nan 0.000 0.437 458 L N 3.424 124.574 121.223 -0.122 0.000 2.298 458 L HA 0.420 4.759 4.340 -0.001 0.000 0.284 458 L C -0.984 175.870 176.870 -0.025 0.000 1.013 458 L CA -0.585 53.969 54.840 -0.478 0.000 0.824 458 L CB 0.975 42.272 42.059 -1.270 0.000 1.221 458 L HN 0.275 nan 8.230 nan 0.000 0.418 459 N N 3.358 122.056 118.700 -0.003 0.000 2.509 459 N HA 0.337 5.076 4.740 -0.001 0.000 0.287 459 N C -0.687 174.791 175.510 -0.052 0.000 1.121 459 N CA -0.430 52.655 53.050 0.058 0.000 0.977 459 N CB 2.306 40.837 38.487 0.074 0.000 1.167 459 N HN 0.421 nan 8.380 nan 0.000 0.476 460 V N 0.032 119.712 119.914 -0.390 0.000 2.785 460 V HA 0.737 4.856 4.120 -0.001 0.000 0.300 460 V C 0.398 176.395 176.094 -0.163 0.000 1.062 460 V CA -0.230 61.697 62.300 -0.621 0.000 1.029 460 V CB 1.290 32.325 31.823 -1.313 0.000 1.024 460 V HN 0.739 nan 8.190 nan 0.000 0.477 461 G N 4.633 113.298 108.800 -0.225 0.000 2.566 461 G HA2 0.738 4.697 3.960 -0.001 0.000 0.311 461 G HA3 0.738 4.697 3.960 -0.001 0.000 0.311 461 G C -1.377 173.459 174.900 -0.107 0.000 1.322 461 G CA -0.568 44.309 45.100 -0.372 0.000 0.969 461 G HN 0.959 nan 8.290 nan 0.000 0.490 462 F N 0.095 119.857 119.950 -0.313 0.000 2.591 462 F HA 0.801 5.327 4.527 -0.001 0.000 0.309 462 F C -0.586 174.932 175.800 -0.469 0.000 1.098 462 F CA -1.547 56.274 58.000 -0.297 0.000 0.937 462 F CB 1.993 40.803 39.000 -0.317 0.000 1.250 462 F HN 0.545 nan 8.300 nan 0.000 0.447 463 R N 3.937 124.098 120.500 -0.564 0.000 2.514 463 R HA 0.745 5.084 4.340 -0.001 0.000 0.301 463 R C -1.659 174.417 176.300 -0.373 0.000 0.962 463 R CA -0.672 54.982 56.100 -0.742 0.000 0.882 463 R CB 1.465 31.040 30.300 -1.209 0.000 1.143 463 R HN 0.961 nan 8.270 nan 0.000 0.452 464 L N 2.157 123.191 121.223 -0.316 0.000 2.344 464 L HA 0.338 4.677 4.340 -0.001 0.000 0.272 464 L C -0.214 176.566 176.870 -0.149 0.000 1.035 464 L CA -1.006 53.727 54.840 -0.179 0.000 0.807 464 L CB 1.566 43.541 42.059 -0.140 0.000 1.237 464 L HN 0.605 nan 8.230 nan 0.000 0.442 465 D N 1.130 121.472 120.400 -0.096 0.000 2.348 465 D HA 0.325 4.964 4.640 -0.001 0.000 0.253 465 D C 0.162 176.429 176.300 -0.054 0.000 1.161 465 D CA 0.159 54.115 54.000 -0.073 0.000 0.876 465 D CB 1.424 42.193 40.800 -0.051 0.000 1.160 465 D HN 0.617 nan 8.370 nan 0.000 0.459 466 G N 3.592 112.359 108.800 -0.054 0.000 4.487 466 G HA2 0.190 4.149 3.960 -0.001 0.000 0.339 466 G HA3 0.190 4.149 3.960 -0.001 0.000 0.339 466 G C -0.156 174.698 174.900 -0.076 0.000 1.482 466 G CA -0.565 44.494 45.100 -0.068 0.000 1.069 466 G HN 0.433 nan 8.290 nan 0.000 0.515 467 E N 0.259 120.396 120.200 -0.104 0.000 2.373 467 E HA 0.143 4.492 4.350 -0.001 0.000 0.263 467 E C 0.208 176.725 176.600 -0.138 0.000 1.073 467 E CA -0.224 56.108 56.400 -0.114 0.000 0.894 467 E CB 1.816 31.434 29.700 -0.137 0.000 1.008 467 E HN 0.441 nan 8.360 nan 0.000 0.420 468 E N 0.689 120.822 120.200 -0.111 0.000 2.442 468 E HA -0.017 4.332 4.350 -0.001 0.000 0.195 468 E C -0.482 176.058 176.600 -0.100 0.000 1.030 468 E CA 0.300 56.641 56.400 -0.100 0.000 0.869 468 E CB 0.359 30.023 29.700 -0.061 0.000 0.857 468 E HN 0.341 nan 8.360 nan 0.000 0.505 469 D N -0.114 120.211 120.400 -0.126 0.000 2.163 469 D HA 0.209 4.849 4.640 -0.001 0.000 0.248 469 D C -0.484 175.689 176.300 -0.212 0.000 1.035 469 D CA -0.417 53.533 54.000 -0.082 0.000 0.872 469 D CB 0.877 41.634 40.800 -0.073 0.000 1.183 469 D HN -0.137 nan 8.370 nan 0.000 0.445 470 F N 1.283 121.064 119.950 -0.280 0.000 2.471 470 F HA 0.164 4.690 4.527 -0.002 0.000 0.353 470 F C 1.563 176.935 175.800 -0.714 0.000 1.113 470 F CA -0.136 57.533 58.000 -0.551 0.000 1.262 470 F CB 0.695 39.283 39.000 -0.687 0.000 1.146 470 F HN -0.138 nan 8.300 nan 0.000 0.578 471 R N 3.736 123.725 120.500 -0.852 0.000 2.198 471 R HA 0.210 4.549 4.340 -0.001 0.000 0.339 471 R C -1.602 174.217 176.300 -0.801 0.000 1.020 471 R CA -0.580 55.016 56.100 -0.841 0.000 0.864 471 R CB 0.351 29.922 30.300 -1.216 0.000 1.105 471 R HN 0.543 nan 8.270 nan 0.000 0.463 472 Y N 1.954 122.130 120.300 -0.206 0.000 2.341 472 Y HA 0.309 4.858 4.550 -0.002 0.000 0.340 472 Y C 0.773 176.647 175.900 -0.044 0.000 0.997 472 Y CA -0.683 57.352 58.100 -0.108 0.000 1.149 472 Y CB 1.514 39.931 38.460 -0.071 0.000 1.171 472 Y HN 0.293 nan 8.280 nan 0.000 0.494 473 V N 0.453 120.449 119.914 0.138 0.000 2.925 473 V HA 0.638 4.757 4.120 -0.001 0.000 0.311 473 V C -0.677 175.476 176.094 0.098 0.000 1.104 473 V CA -1.430 60.950 62.300 0.132 0.000 0.954 473 V CB 1.870 33.813 31.823 0.200 0.000 1.022 473 V HN 0.763 nan 8.190 nan 0.000 0.427 474 E N 2.697 122.919 120.200 0.037 0.000 2.374 474 E HA 0.598 4.947 4.350 -0.001 0.000 0.260 474 E C 0.591 177.107 176.600 -0.140 0.000 1.101 474 E CA -0.211 56.124 56.400 -0.110 0.000 0.907 474 E CB 0.954 30.535 29.700 -0.198 0.000 1.014 474 E HN 1.164 nan 8.360 nan 0.000 0.427 475 G N 0.300 108.779 108.800 -0.534 0.000 2.712 475 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.258 475 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.258 475 G C 0.174 174.958 174.900 -0.194 0.000 1.241 475 G CA 0.002 44.910 45.100 -0.321 0.000 0.923 475 G HN 0.839 nan 8.290 nan 0.000 0.548 476 E N -1.831 118.513 120.200 0.239 0.000 2.354 476 E HA 0.115 4.464 4.350 -0.001 0.000 0.203 476 E C 0.392 177.227 176.600 0.391 0.000 0.841 476 E CA -0.058 56.499 56.400 0.262 0.000 1.046 476 E CB 0.457 30.267 29.700 0.183 0.000 1.040 476 E HN 0.306 nan 8.360 nan 0.000 0.504 477 Q N 1.105 121.139 119.800 0.390 0.000 2.333 477 Q HA 0.317 4.657 4.340 -0.001 0.000 0.268 477 Q C -1.406 174.638 176.000 0.073 0.000 1.007 477 Q CA -0.440 55.491 55.803 0.213 0.000 0.810 477 Q CB 1.535 30.338 28.738 0.109 0.000 1.264 477 Q HN -0.018 nan 8.270 nan 0.000 0.452 478 R N 2.585 122.957 120.500 -0.214 0.000 2.460 478 R HA 0.495 4.834 4.340 -0.001 0.000 0.303 478 R C -1.038 175.026 176.300 -0.393 0.000 0.968 478 R CA -0.273 55.415 56.100 -0.686 0.000 0.889 478 R CB 1.237 30.868 30.300 -1.115 0.000 1.123 478 R HN 0.748 nan 8.270 nan 0.000 0.455 479 E N 1.844 121.807 120.200 -0.394 0.000 2.293 479 E HA 0.280 4.629 4.350 -0.001 0.000 0.270 479 E C -1.446 175.007 176.600 -0.245 0.000 0.879 479 E CA -0.623 55.632 56.400 -0.241 0.000 0.756 479 E CB 2.120 31.731 29.700 -0.149 0.000 1.208 479 E HN 0.512 nan 8.360 nan 0.000 0.428 480 S N 3.604 119.205 115.700 -0.165 0.000 2.429 480 S HA 0.491 4.960 4.470 -0.001 0.000 0.302 480 S C -0.348 174.233 174.600 -0.032 0.000 1.115 480 S CA -0.486 57.640 58.200 -0.122 0.000 1.095 480 S CB 0.310 63.441 63.200 -0.114 0.000 0.987 480 S HN 0.358 nan 8.310 nan 0.000 0.474 481 I N 3.435 124.030 120.570 0.042 0.000 2.476 481 I HA 0.306 4.475 4.170 -0.001 0.000 0.281 481 I C -0.287 175.980 176.117 0.249 0.000 1.040 481 I CA -0.666 60.721 61.300 0.145 0.000 1.094 481 I CB 1.081 39.225 38.000 0.239 0.000 1.219 481 I HN 0.528 nan 8.210 nan 0.000 0.450 482 N N 5.136 123.935 118.700 0.164 0.000 2.707 482 N HA -0.223 4.516 4.740 -0.001 0.000 0.253 482 N C 1.052 176.711 175.510 0.248 0.000 0.998 482 N CA 1.355 54.517 53.050 0.186 0.000 0.751 482 N CB -0.673 37.929 38.487 0.192 0.000 0.920 482 N HN 1.202 nan 8.380 nan 0.000 0.539 483 G N -2.703 106.167 108.800 0.117 0.000 2.176 483 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.253 483 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.253 483 G C -0.139 174.691 174.900 -0.115 0.000 0.979 483 G CA 0.414 45.504 45.100 -0.015 0.000 0.641 483 G HN 0.370 nan 8.290 nan 0.000 0.530 484 W N 0.793 122.039 121.300 -0.091 0.000 2.449 484 W HA 0.669 5.328 4.660 -0.002 0.000 0.331 484 W C 0.389 176.691 176.519 -0.362 0.000 1.119 484 W CA -0.303 56.917 57.345 -0.208 0.000 1.240 484 W CB 1.299 30.674 29.460 -0.142 0.000 1.251 484 W HN 0.011 nan 8.180 nan 0.000 0.576 485 T N 2.938 117.246 114.554 -0.411 0.000 2.749 485 T HA 0.249 4.598 4.350 -0.001 0.000 0.287 485 T C -0.720 173.654 174.700 -0.543 0.000 0.970 485 T CA -0.586 61.146 62.100 -0.614 0.000 0.980 485 T CB 0.892 69.178 68.868 -0.970 0.000 0.924 485 T HN 0.321 nan 8.240 nan 0.000 0.456 486 Q N 2.902 122.424 119.800 -0.464 0.000 2.348 486 Q HA 0.357 4.696 4.340 -0.001 0.000 0.265 486 Q C -1.429 174.278 176.000 -0.488 0.000 0.998 486 Q CA -0.734 54.840 55.803 -0.381 0.000 0.831 486 Q CB 1.046 29.632 28.738 -0.254 0.000 1.251 486 Q HN 0.663 nan 8.270 nan 0.000 0.456 487 W N 2.030 122.998 121.300 -0.553 0.000 2.449 487 W HA 0.430 5.090 4.660 -0.001 0.000 0.331 487 W C -0.219 175.968 176.519 -0.553 0.000 1.119 487 W CA -0.487 56.438 57.345 -0.700 0.000 1.240 487 W CB 2.042 30.657 29.460 -1.407 0.000 1.251 487 W HN 0.382 nan 8.180 nan 0.000 0.576 488 T N 3.804 118.394 114.554 0.061 0.000 2.812 488 T HA 0.463 4.812 4.350 -0.001 0.000 0.282 488 T C -1.534 173.298 174.700 0.220 0.000 0.990 488 T CA -0.625 61.549 62.100 0.123 0.000 0.960 488 T CB 1.085 70.007 68.868 0.090 0.000 0.948 488 T HN 0.229 nan 8.240 nan 0.000 0.438 489 L N 5.894 127.288 121.223 0.285 0.000 2.388 489 L HA 0.517 4.856 4.340 -0.001 0.000 0.267 489 L C -2.780 174.179 176.870 0.147 0.000 0.995 489 L CA -2.021 52.971 54.840 0.254 0.000 0.864 489 L CB 1.198 43.469 42.059 0.353 0.000 1.216 489 L HN 0.290 nan 8.230 nan 0.000 0.430 490 P HA 0.127 nan 4.420 nan 0.000 0.266 490 P C -0.133 177.211 177.300 0.073 0.000 1.195 490 P CA 0.290 63.437 63.100 0.078 0.000 0.768 490 P CB 0.567 32.309 31.700 0.070 0.000 0.838 491 L N 1.726 122.982 121.223 0.056 0.000 3.066 491 L HA 0.181 4.520 4.340 -0.001 0.000 0.265 491 L C 0.778 177.713 176.870 0.109 0.000 1.232 491 L CA 0.103 55.006 54.840 0.105 0.000 1.031 491 L CB -0.107 41.950 42.059 -0.002 0.000 1.379 491 L HN 0.207 nan 8.230 nan 0.000 0.563 492 D N 1.564 121.992 120.400 0.046 0.000 2.182 492 D HA -0.196 4.443 4.640 -0.001 0.000 0.201 492 D C 2.277 178.554 176.300 -0.038 0.000 0.986 492 D CA 1.401 55.408 54.000 0.012 0.000 0.847 492 D CB 0.161 40.962 40.800 0.002 0.000 0.942 492 D HN 0.370 nan 8.370 nan 0.000 0.467 493 A N -0.409 122.340 122.820 -0.118 0.000 2.070 493 A HA -0.097 4.222 4.320 -0.001 0.000 0.220 493 A C 1.158 178.451 177.584 -0.486 0.000 1.159 493 A CA 0.842 52.677 52.037 -0.338 0.000 0.656 493 A CB -0.547 nan 19.000 nan 0.000 0.800 493 A HN 0.268 nan 8.150 nan 0.000 0.453 494 F N -0.441 119.510 119.950 0.002 0.000 2.668 494 F HA 0.483 5.009 4.527 -0.002 0.000 0.301 494 F C 1.201 176.997 175.800 -0.007 0.000 1.106 494 F CA -0.331 57.672 58.000 0.006 0.000 1.289 494 F CB 0.000 39.010 39.000 0.016 0.000 1.006 494 F HN 0.161 nan 8.300 nan 0.000 0.535 495 A N 0.476 123.355 122.820 0.097 0.000 2.565 495 A HA 0.384 4.703 4.320 -0.001 0.000 0.237 495 A C 1.556 179.173 177.584 0.055 0.000 1.053 495 A CA 1.030 53.103 52.037 0.061 0.000 0.755 495 A CB -0.597 18.419 19.000 0.027 0.000 0.980 495 A HN 1.044 nan 8.150 nan 0.000 0.506 496 G N 0.901 109.728 108.800 0.046 0.000 2.195 496 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.246 496 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.246 496 G C 0.258 175.184 174.900 0.044 0.000 0.984 496 G CA 0.442 45.563 45.100 0.036 0.000 0.633 496 G HN 0.887 nan 8.290 nan 0.000 0.525 497 Q N 0.145 119.986 119.800 0.068 0.000 2.180 497 Q HA 0.641 4.980 4.340 -0.001 0.000 0.241 497 Q C -0.579 175.435 176.000 0.023 0.000 0.970 497 Q CA 0.046 55.886 55.803 0.062 0.000 0.919 497 Q CB 1.386 30.197 28.738 0.122 0.000 1.222 497 Q HN 0.203 nan 8.270 nan 0.000 0.482 498 T N 1.073 115.626 114.554 -0.003 0.000 2.840 498 T HA 0.477 4.826 4.350 -0.001 0.000 0.287 498 T C 0.133 174.799 174.700 -0.056 0.000 0.991 498 T CA -0.503 61.579 62.100 -0.030 0.000 0.964 498 T CB 0.574 69.423 68.868 -0.031 0.000 0.954 498 T HN 0.313 nan 8.240 nan 0.000 0.438 499 I N 3.365 123.892 120.570 -0.071 0.000 2.471 499 I HA 0.153 4.323 4.170 -0.001 0.000 0.286 499 I C 1.675 177.729 176.117 -0.106 0.000 1.079 499 I CA -0.015 61.231 61.300 -0.090 0.000 1.398 499 I CB 1.142 39.088 38.000 -0.091 0.000 1.403 499 I HN 0.795 nan 8.210 nan 0.000 0.530 500 T N 0.888 115.363 114.554 -0.130 0.000 3.044 500 T HA 0.400 4.749 4.350 -0.001 0.000 0.260 500 T C 0.451 175.097 174.700 -0.090 0.000 1.019 500 T CA -0.142 61.890 62.100 -0.113 0.000 0.921 500 T CB 0.435 69.241 68.868 -0.104 0.000 1.053 500 T HN 0.750 nan 8.240 nan 0.000 0.533 501 G N 0.602 109.330 108.800 -0.121 0.000 2.703 501 G HA2 0.590 4.549 3.960 -0.001 0.000 0.294 501 G HA3 0.590 4.549 3.960 -0.001 0.000 0.294 501 G C -2.116 172.872 174.900 0.146 0.000 1.451 501 G CA -0.946 44.186 45.100 0.053 0.000 0.869 501 G HN 0.311 nan 8.290 nan 0.000 0.516 502 L N 0.532 121.945 121.223 0.317 0.000 2.386 502 L HA 0.886 5.225 4.340 -0.001 0.000 0.271 502 L C 0.310 177.266 176.870 0.143 0.000 0.993 502 L CA -0.801 54.151 54.840 0.187 0.000 0.819 502 L CB 2.091 44.181 42.059 0.053 0.000 1.294 502 L HN 0.909 nan 8.230 nan 0.000 0.414 503 A N 1.939 124.676 122.820 -0.138 0.000 2.583 503 A HA 0.921 5.240 4.320 -0.001 0.000 0.289 503 A C -1.845 175.400 177.584 -0.565 0.000 1.151 503 A CA -0.391 51.458 52.037 -0.313 0.000 0.695 503 A CB 1.592 20.369 19.000 -0.372 0.000 1.290 503 A HN 0.414 nan 8.150 nan 0.000 0.419 504 F N -1.006 118.851 119.950 -0.155 0.000 2.603 504 F HA 0.827 5.353 4.527 -0.001 0.000 0.317 504 F C 0.468 176.147 175.800 -0.202 0.000 1.066 504 F CA -0.072 57.788 58.000 -0.233 0.000 0.941 504 F CB 2.508 41.255 39.000 -0.422 0.000 1.291 504 F HN 0.939 nan 8.300 nan 0.000 0.472 505 A N 0.859 123.737 122.820 0.096 0.000 2.539 505 A HA 0.989 5.308 4.320 -0.001 0.000 0.296 505 A C -1.711 175.900 177.584 0.046 0.000 1.073 505 A CA -0.382 51.647 52.037 -0.014 0.000 0.700 505 A CB 1.606 20.320 19.000 -0.476 0.000 1.296 505 A HN 1.288 nan 8.150 nan 0.000 0.405 506 A N 0.553 123.404 122.820 0.051 0.000 2.556 506 A HA 0.824 5.144 4.320 -0.001 0.000 0.294 506 A C -0.958 176.609 177.584 -0.029 0.000 1.091 506 A CA -0.446 51.588 52.037 -0.006 0.000 0.704 506 A CB 1.359 20.332 19.000 -0.045 0.000 1.300 506 A HN 0.754 nan 8.150 nan 0.000 0.406 507 E N 0.128 120.299 120.200 -0.047 0.000 2.199 507 E HA 0.507 4.857 4.350 -0.001 0.000 0.269 507 E C 0.073 176.589 176.600 -0.140 0.000 0.899 507 E CA -0.664 55.616 56.400 -0.199 0.000 0.772 507 E CB 1.987 31.555 29.700 -0.221 0.000 1.155 507 E HN 0.894 nan 8.360 nan 0.000 0.408 508 G N 2.325 111.010 108.800 -0.191 0.000 2.442 508 G HA2 0.156 4.115 3.960 -0.001 0.000 0.249 508 G HA3 0.156 4.115 3.960 -0.001 0.000 0.249 508 G C -0.074 174.755 174.900 -0.119 0.000 1.263 508 G CA -0.322 44.688 45.100 -0.150 0.000 0.846 508 G HN 0.572 nan 8.290 nan 0.000 0.555 509 N N -0.681 117.960 118.700 -0.097 0.000 2.906 509 N HA 0.176 4.916 4.740 -0.001 0.000 0.327 509 N C 1.028 176.492 175.510 -0.077 0.000 1.344 509 N CA -0.648 52.360 53.050 -0.070 0.000 0.823 509 N CB 0.814 39.278 38.487 -0.038 0.000 1.351 509 N HN 0.492 nan 8.380 nan 0.000 0.604 510 E N -0.791 119.375 120.200 -0.057 0.000 2.147 510 E HA -0.256 4.093 4.350 -0.001 0.000 0.199 510 E C 0.826 177.381 176.600 -0.075 0.000 1.005 510 E CA 2.030 58.397 56.400 -0.056 0.000 0.810 510 E CB -0.319 29.359 29.700 -0.037 0.000 0.736 510 E HN 0.664 nan 8.360 nan 0.000 0.460 511 T N -0.793 113.708 114.554 -0.089 0.000 2.737 511 T HA -0.133 4.216 4.350 -0.001 0.000 0.269 511 T C 1.388 175.979 174.700 -0.181 0.000 1.040 511 T CA 1.528 63.547 62.100 -0.135 0.000 1.142 511 T CB -0.542 68.228 68.868 -0.163 0.000 0.861 511 T HN 0.578 nan 8.240 nan 0.000 0.456 512 G N 0.213 108.908 108.800 -0.175 0.000 2.162 512 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.260 512 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.260 512 G C -0.241 174.515 174.900 -0.241 0.000 0.976 512 G CA -0.013 44.980 45.100 -0.179 0.000 0.655 512 G HN 0.432 nan 8.290 nan 0.000 0.533 513 L N 0.017 121.032 121.223 -0.347 0.000 2.370 513 L HA 0.943 5.282 4.340 -0.001 0.000 0.266 513 L C 0.176 176.792 176.870 -0.424 0.000 1.002 513 L CA -0.846 53.714 54.840 -0.467 0.000 0.818 513 L CB 1.880 43.454 42.059 -0.807 0.000 1.325 513 L HN 0.784 nan 8.230 nan 0.000 0.418 514 A N 1.989 124.618 122.820 -0.318 0.000 2.422 514 A HA 0.805 5.124 4.320 -0.001 0.000 0.302 514 A C -0.936 176.470 177.584 -0.296 0.000 1.041 514 A CA -0.419 51.419 52.037 -0.332 0.000 0.708 514 A CB 1.579 20.356 19.000 -0.372 0.000 1.257 514 A HN 0.685 nan 8.150 nan 0.000 0.414 515 E N 2.240 122.174 120.200 -0.444 0.000 2.528 515 E HA 0.478 4.827 4.350 -0.001 0.000 0.277 515 E C -1.940 174.300 176.600 -0.600 0.000 0.980 515 E CA -0.176 55.995 56.400 -0.382 0.000 0.796 515 E CB 0.677 30.261 29.700 -0.193 0.000 1.427 515 E HN 0.497 nan 8.360 nan 0.000 0.394 516 F N 2.455 122.241 119.950 -0.274 0.000 2.422 516 F HA 0.460 4.987 4.527 -0.001 0.000 0.333 516 F C -0.494 175.033 175.800 -0.455 0.000 1.095 516 F CA -0.483 57.398 58.000 -0.198 0.000 1.038 516 F CB 1.038 40.016 39.000 -0.037 0.000 1.156 516 F HN 0.319 nan 8.300 nan 0.000 0.483 517 Y N 0.537 120.943 120.300 0.178 0.000 2.338 517 Y HA 0.391 4.940 4.550 -0.001 0.000 0.328 517 Y C 0.171 176.228 175.900 0.261 0.000 0.965 517 Y CA -0.928 57.239 58.100 0.112 0.000 1.208 517 Y CB 2.045 40.498 38.460 -0.011 0.000 1.132 517 Y HN 0.502 nan 8.280 nan 0.000 0.469 518 T N 1.323 116.038 114.554 0.269 0.000 2.771 518 T HA 0.549 4.898 4.350 -0.001 0.000 0.281 518 T C 0.749 175.647 174.700 0.331 0.000 0.982 518 T CA -0.151 62.104 62.100 0.260 0.000 0.978 518 T CB 0.814 69.588 68.868 -0.156 0.000 0.930 518 T HN 0.883 nan 8.240 nan 0.000 0.447 519 G N 3.173 112.257 108.800 0.473 0.000 3.104 519 G HA2 0.384 4.343 3.960 -0.001 0.000 0.237 519 G HA3 0.384 4.343 3.960 -0.001 0.000 0.237 519 G C -0.007 175.089 174.900 0.327 0.000 1.035 519 G CA -0.147 45.168 45.100 0.358 0.000 0.844 519 G HN 0.820 nan 8.290 nan 0.000 0.531 520 Q N -0.758 119.202 119.800 0.266 0.000 2.426 520 Q HA 0.718 5.057 4.340 -0.001 0.000 0.278 520 Q C -2.047 174.073 176.000 0.201 0.000 1.007 520 Q CA -0.929 54.868 55.803 -0.010 0.000 0.850 520 Q CB 1.996 30.564 28.738 -0.283 0.000 1.427 520 Q HN 0.229 nan 8.270 nan 0.000 0.391 521 L N 1.173 122.382 121.223 -0.023 0.000 2.526 521 L HA 1.020 5.359 4.340 -0.001 0.000 0.263 521 L C -2.009 174.750 176.870 -0.185 0.000 0.943 521 L CA 0.060 54.978 54.840 0.130 0.000 0.859 521 L CB 2.200 44.461 42.059 0.336 0.000 1.313 521 L HN 1.122 nan 8.230 nan 0.000 0.406 522 A N 3.796 126.583 122.820 -0.055 0.000 2.574 522 A HA 0.841 5.161 4.320 -0.001 0.000 0.297 522 A C -1.907 175.675 177.584 -0.004 0.000 1.062 522 A CA -0.551 51.404 52.037 -0.135 0.000 0.686 522 A CB 2.053 20.960 19.000 -0.155 0.000 1.285 522 A HN 0.628 nan 8.150 nan 0.000 0.403 523 V N 1.422 121.338 119.914 0.003 0.000 2.407 523 V HA 0.868 4.987 4.120 -0.001 0.000 0.291 523 V C 0.575 176.681 176.094 0.020 0.000 1.018 523 V CA 0.669 62.984 62.300 0.024 0.000 0.842 523 V CB 0.847 32.690 31.823 0.034 0.000 0.996 523 V HN 2.080 nan 8.190 nan 0.000 0.426 531 A N 0.976 123.767 122.820 -0.048 0.000 2.386 531 A HA 0.635 4.954 4.320 -0.001 0.000 0.248 531 A C 0.631 178.189 177.584 -0.042 0.000 1.082 531 A CA 0.196 52.213 52.037 -0.034 0.000 0.789 531 A CB -0.099 18.893 19.000 -0.014 0.000 1.025 531 A HN 0.835 nan 8.150 nan 0.000 0.490 532 A N 2.835 125.635 122.820 -0.034 0.000 2.546 532 A HA 0.468 4.787 4.320 -0.001 0.000 0.243 532 A C -2.215 175.359 177.584 -0.015 0.000 1.063 532 A CA -0.692 51.326 52.037 -0.032 0.000 0.757 532 A CB -0.818 18.171 19.000 -0.020 0.000 0.991 532 A HN 0.601 nan 8.150 nan 0.000 0.503 533 P HA 0.103 nan 4.420 nan 0.000 0.271 533 P C -0.381 176.933 177.300 0.022 0.000 1.220 533 P CA -0.270 62.829 63.100 -0.001 0.000 0.768 533 P CB 0.354 31.996 31.700 -0.097 0.000 0.848 534 N N 3.306 122.039 118.700 0.056 0.000 2.400 534 N HA 0.141 4.881 4.740 -0.001 0.000 0.267 534 N C -1.001 174.571 175.510 0.103 0.000 1.208 534 N CA 0.079 53.167 53.050 0.063 0.000 0.951 534 N CB -0.112 38.408 38.487 0.056 0.000 1.227 534 N HN 0.000 nan 8.380 nan 0.000 0.488 535 V N 3.713 123.680 119.914 0.088 0.000 2.513 535 V HA 0.465 4.585 4.120 -0.001 0.000 0.299 535 V C -0.268 175.868 176.094 0.069 0.000 1.035 535 V CA -0.972 61.404 62.300 0.126 0.000 0.889 535 V CB 1.628 33.528 31.823 0.129 0.000 0.988 535 V HN 0.659 nan 8.190 nan 0.000 0.440 536 N N 2.226 120.958 118.700 0.053 0.000 2.296 536 N HA 0.458 5.197 4.740 -0.001 0.000 0.294 536 N C -0.920 174.597 175.510 0.012 0.000 1.033 536 N CA -0.397 52.665 53.050 0.019 0.000 0.839 536 N CB 2.473 40.961 38.487 0.001 0.000 1.395 536 N HN 0.381 nan 8.380 nan 0.000 0.479 537 V N 3.414 123.337 119.914 0.015 0.000 2.427 537 V HA 0.362 4.481 4.120 -0.001 0.000 0.268 537 V C 0.433 176.539 176.094 0.020 0.000 1.046 537 V CA -0.293 62.017 62.300 0.017 0.000 0.970 537 V CB 0.072 31.903 31.823 0.014 0.000 1.001 537 V HN 0.401 nan 8.190 nan 0.000 0.476 538 R N 3.137 123.657 120.500 0.033 0.000 2.807 538 R HA 0.454 4.793 4.340 -0.001 0.000 0.276 538 R C -0.445 175.911 176.300 0.093 0.000 0.979 538 R CA -0.956 55.172 56.100 0.048 0.000 0.928 538 R CB 1.439 31.760 30.300 0.035 0.000 1.191 538 R HN 0.613 nan 8.270 nan 0.000 0.471 539 Q N 1.361 121.214 119.800 0.088 0.000 2.315 539 Q HA -0.043 4.296 4.340 -0.001 0.000 0.289 539 Q C -0.799 175.323 176.000 0.203 0.000 1.044 539 Q CA 0.700 56.572 55.803 0.114 0.000 0.920 539 Q CB 0.440 29.215 28.738 0.061 0.000 1.214 539 Q HN 0.444 nan 8.270 nan 0.000 0.392 540 Y N 3.768 124.134 120.300 0.110 0.000 2.587 540 Y HA 0.114 4.663 4.550 -0.001 0.000 0.328 540 Y C 0.383 176.322 175.900 0.066 0.000 0.980 540 Y CA -0.742 57.436 58.100 0.130 0.000 1.272 540 Y CB 0.439 39.020 38.460 0.202 0.000 1.094 540 Y HN 0.596 nan 8.280 nan 0.000 0.503 541 D N 5.600 125.811 120.400 -0.315 0.000 2.116 541 D HA -0.173 4.466 4.640 -0.001 0.000 0.193 541 D C -0.577 175.513 176.300 -0.350 0.000 0.998 541 D CA 1.867 55.710 54.000 -0.262 0.000 0.836 541 D CB -1.086 39.608 40.800 -0.176 0.000 0.951 541 D HN 0.521 nan 8.370 nan 0.000 0.449 542 P HA -0.016 nan 4.420 nan 0.000 0.225 542 P C -0.229 176.927 177.300 -0.240 0.000 1.148 542 P CA 0.994 63.841 63.100 -0.421 0.000 0.779 542 P CB 0.219 31.619 31.700 -0.500 0.000 0.780 543 D N -1.555 118.736 120.400 -0.183 0.000 2.420 543 D HA 0.176 4.816 4.640 -0.001 0.000 0.255 543 D C -2.010 174.352 176.300 0.102 0.000 1.185 543 D CA -2.417 51.623 54.000 0.067 0.000 0.904 543 D CB 0.946 41.903 40.800 0.262 0.000 1.102 543 D HN -0.156 nan 8.370 nan 0.000 0.534 544 P HA -0.083 nan 4.420 nan 0.000 0.220 544 P C 0.959 178.292 177.300 0.054 0.000 1.148 544 P CA 0.822 63.945 63.100 0.038 0.000 0.803 544 P CB 0.214 31.923 31.700 0.014 0.000 0.782 545 S N -2.079 113.658 115.700 0.062 0.000 2.605 545 S HA 0.302 4.771 4.470 -0.001 0.000 0.217 545 S C 0.987 175.619 174.600 0.053 0.000 0.958 545 S CA -0.222 58.008 58.200 0.049 0.000 0.919 545 S CB -0.598 62.625 63.200 0.038 0.000 0.780 545 S HN 0.083 nan 8.310 nan 0.000 0.507 546 G N 1.354 110.218 108.800 0.107 0.000 2.509 546 G HA2 0.738 4.697 3.960 -0.001 0.000 0.328 546 G HA3 0.738 4.697 3.960 -0.001 0.000 0.328 546 G C -0.626 174.341 174.900 0.111 0.000 1.194 546 G CA -1.192 43.973 45.100 0.108 0.000 0.967 546 G HN 0.649 nan 8.290 nan 0.000 0.488 547 I N -2.630 117.950 120.570 0.017 0.000 3.174 547 I HA 0.768 4.937 4.170 -0.001 0.000 0.313 547 I C -0.962 175.215 176.117 0.101 0.000 1.155 547 I CA -1.353 59.991 61.300 0.073 0.000 0.977 547 I CB 2.519 40.525 38.000 0.010 0.000 1.248 547 I HN 0.629 nan 8.210 nan 0.000 0.453 548 Q N 2.911 122.804 119.800 0.155 0.000 2.375 548 Q HA 0.615 4.955 4.340 -0.001 0.000 0.271 548 Q C -1.971 174.057 176.000 0.046 0.000 1.074 548 Q CA -1.055 54.842 55.803 0.156 0.000 0.808 548 Q CB 2.706 31.642 28.738 0.330 0.000 1.327 548 Q HN 0.530 nan 8.270 nan 0.000 0.441 549 L N 2.539 123.759 121.223 -0.004 0.000 2.282 549 L HA 0.584 4.923 4.340 -0.001 0.000 0.288 549 L C -0.573 176.122 176.870 -0.292 0.000 1.033 549 L CA -0.828 53.996 54.840 -0.027 0.000 0.807 549 L CB 1.346 43.490 42.059 0.141 0.000 1.209 549 L HN 0.610 nan 8.230 nan 0.000 0.423 550 V N 3.169 122.929 119.914 -0.256 0.000 2.540 550 V HA 0.613 4.732 4.120 -0.001 0.000 0.302 550 V C -0.608 175.330 176.094 -0.261 0.000 1.035 550 V CA -0.635 61.372 62.300 -0.488 0.000 0.873 550 V CB 1.772 33.402 31.823 -0.322 0.000 0.992 550 V HN 0.903 nan 8.190 nan 0.000 0.428 551 W N 2.134 123.302 121.300 -0.221 0.000 3.060 551 W HA 0.880 5.540 4.660 -0.001 0.000 0.346 551 W C -0.301 176.103 176.519 -0.192 0.000 1.194 551 W CA -0.680 56.536 57.345 -0.215 0.000 1.105 551 W CB 0.470 29.734 29.460 -0.328 0.000 1.487 551 W HN 0.494 nan 8.180 nan 0.000 0.592 557 V N 2.695 122.571 119.914 -0.063 0.000 2.417 557 V HA 0.269 4.388 4.120 -0.001 0.000 0.291 557 V C 1.252 177.280 176.094 -0.111 0.000 1.024 557 V CA -0.571 61.615 62.300 -0.190 0.000 0.861 557 V CB 2.123 33.702 31.823 -0.406 0.000 0.985 557 V HN 0.320 nan 8.190 nan 0.000 0.436 558 H N 4.952 123.905 119.070 -0.196 0.000 2.284 558 H HA 0.042 4.597 4.556 -0.001 0.000 0.304 558 H C 0.428 175.748 175.328 -0.013 0.000 1.069 558 H CA 1.933 57.951 56.048 -0.050 0.000 1.327 558 H CB 0.512 30.289 29.762 0.025 0.000 1.387 558 H HN 0.845 nan 8.280 nan 0.000 0.498 559 H N -3.252 115.670 119.070 -0.246 0.000 2.981 559 H HA 0.186 4.742 4.556 -0.001 0.000 0.327 559 H C -1.783 173.264 175.328 -0.470 0.000 1.342 559 H CA -0.898 55.008 56.048 -0.235 0.000 1.123 559 H CB 0.353 30.068 29.762 -0.079 0.000 1.851 559 H HN 0.034 nan 8.280 nan 0.000 0.531 560 Y N 0.255 120.433 120.300 -0.204 0.000 2.420 560 Y HA 0.592 5.141 4.550 -0.001 0.000 0.334 560 Y C 0.511 176.265 175.900 -0.243 0.000 1.094 560 Y CA -0.841 57.017 58.100 -0.403 0.000 1.126 560 Y CB 1.891 39.926 38.460 -0.709 0.000 1.217 560 Y HN 0.301 nan 8.280 nan 0.000 0.462 561 R N 1.421 121.818 120.500 -0.172 0.000 2.534 561 R HA 0.643 4.982 4.340 -0.001 0.000 0.301 561 R C -1.724 174.458 176.300 -0.197 0.000 0.961 561 R CA -0.943 55.028 56.100 -0.215 0.000 0.871 561 R CB 2.090 32.245 30.300 -0.241 0.000 1.170 561 R HN 0.400 nan 8.270 nan 0.000 0.446 562 V N 4.600 124.353 119.914 -0.267 0.000 2.328 562 V HA 0.320 4.439 4.120 -0.001 0.000 0.278 562 V C -0.911 175.019 176.094 -0.274 0.000 1.021 562 V CA -0.692 61.513 62.300 -0.159 0.000 0.838 562 V CB 0.613 32.395 31.823 -0.068 0.000 0.999 562 V HN 0.602 nan 8.190 nan 0.000 0.447 563 Y N 3.941 124.218 120.300 -0.038 0.000 2.361 563 Y HA 0.588 5.137 4.550 -0.001 0.000 0.332 563 Y C 0.437 176.346 175.900 0.015 0.000 1.101 563 Y CA -0.688 57.401 58.100 -0.018 0.000 1.137 563 Y CB 1.767 40.225 38.460 -0.003 0.000 1.207 563 Y HN 0.614 nan 8.280 nan 0.000 0.463 564 K N 1.479 121.972 120.400 0.156 0.000 2.259 564 K HA 0.489 4.809 4.320 -0.001 0.000 0.249 564 K C -1.102 175.554 176.600 0.093 0.000 0.942 564 K CA -0.854 55.489 56.287 0.093 0.000 0.816 564 K CB 1.606 34.120 32.500 0.023 0.000 1.155 564 K HN 0.569 nan 8.250 nan 0.000 0.428 565 E N 1.814 122.054 120.200 0.067 0.000 2.344 565 E HA 0.067 4.416 4.350 -0.001 0.000 0.270 565 E C -0.376 176.186 176.600 -0.064 0.000 1.021 565 E CA 0.002 56.417 56.400 0.024 0.000 0.887 565 E CB 1.192 30.917 29.700 0.041 0.000 0.997 565 E HN 0.769 nan 8.360 nan 0.000 0.429 566 T N -0.518 113.942 114.554 -0.156 0.000 2.864 566 T HA 0.311 4.660 4.350 -0.001 0.000 0.289 566 T C 0.600 175.122 174.700 -0.296 0.000 1.082 566 T CA -0.986 60.917 62.100 -0.328 0.000 1.009 566 T CB 1.419 69.801 68.868 -0.810 0.000 1.234 566 T HN 0.271 nan 8.240 nan 0.000 0.526 567 K N -0.494 119.734 120.400 -0.287 0.000 2.439 567 K HA 0.006 4.325 4.320 -0.001 0.000 0.197 567 K C 0.991 177.555 176.600 -0.060 0.000 1.041 567 K CA 0.966 57.182 56.287 -0.118 0.000 0.970 567 K CB -0.265 32.222 32.500 -0.021 0.000 0.773 567 K HN 0.777 nan 8.250 nan 0.000 0.479 568 H N -2.474 116.604 119.070 0.013 0.000 2.505 568 H HA 0.413 4.968 4.556 -0.001 0.000 0.286 568 H C 0.498 175.832 175.328 0.010 0.000 1.072 568 H CA -0.186 55.870 56.048 0.012 0.000 1.141 568 H CB 0.480 30.252 29.762 0.017 0.000 1.550 568 H HN 0.114 nan 8.280 nan 0.000 0.547 569 G N 1.325 110.098 108.800 -0.045 0.000 2.566 569 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.599 569 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.599 569 G C -0.911 173.970 174.900 -0.031 0.000 1.292 569 G CA -0.750 44.336 45.100 -0.022 0.000 0.922 569 G HN 0.661 nan 8.290 nan 0.000 0.514 570 K N 0.043 120.429 120.400 -0.023 0.000 2.412 570 K HA 0.471 4.790 4.320 -0.001 0.000 0.281 570 K C -0.112 176.581 176.600 0.155 0.000 1.027 570 K CA 0.225 56.527 56.287 0.024 0.000 0.989 570 K CB 1.538 33.966 32.500 -0.121 0.000 0.935 570 K HN 0.682 nan 8.250 nan 0.000 0.475 571 E N 3.764 124.085 120.200 0.201 0.000 2.158 571 E HA 0.145 4.494 4.350 -0.001 0.000 0.271 571 E C -1.215 175.458 176.600 0.121 0.000 0.911 571 E CA -1.157 55.361 56.400 0.196 0.000 0.767 571 E CB 1.112 30.907 29.700 0.158 0.000 1.120 571 E HN 0.581 nan 8.360 nan 0.000 0.405 572 L N 6.713 127.900 121.223 -0.060 0.000 2.500 572 L HA 0.137 4.477 4.340 -0.001 0.000 0.272 572 L C 0.393 177.077 176.870 -0.311 0.000 1.149 572 L CA 0.781 55.321 54.840 -0.499 0.000 0.897 572 L CB 0.367 42.018 42.059 -0.680 0.000 1.178 572 L HN 0.700 nan 8.230 nan 0.000 0.473 573 I N 1.620 122.013 120.570 -0.295 0.000 4.154 573 I HA 0.650 4.819 4.170 -0.001 0.000 0.334 573 I C 0.584 176.596 176.117 -0.175 0.000 1.371 573 I CA 0.042 61.240 61.300 -0.169 0.000 1.110 573 I CB 0.281 38.227 38.000 -0.089 0.000 1.085 573 I HN 0.598 nan 8.210 nan 0.000 0.398 574 G N 1.006 109.646 108.800 -0.266 0.000 2.616 574 G HA2 0.525 4.484 3.960 -0.001 0.000 0.294 574 G HA3 0.525 4.484 3.960 -0.001 0.000 0.294 574 G C -1.104 173.652 174.900 -0.240 0.000 1.489 574 G CA -0.029 44.958 45.100 -0.189 0.000 0.836 574 G HN 0.185 nan 8.290 nan 0.000 0.527 575 T N -2.077 112.387 114.554 -0.149 0.000 2.909 575 T HA 0.827 5.176 4.350 -0.001 0.000 0.299 575 T C -0.660 174.093 174.700 0.089 0.000 1.073 575 T CA -0.754 61.298 62.100 -0.080 0.000 0.999 575 T CB 2.043 70.779 68.868 -0.221 0.000 1.098 575 T HN 1.583 nan 8.240 nan 0.000 0.477 576 S N 0.130 115.956 115.700 0.209 0.000 2.566 576 S HA 0.641 5.110 4.470 -0.001 0.000 0.273 576 S C 0.199 175.006 174.600 0.346 0.000 1.157 576 S CA -0.199 58.174 58.200 0.288 0.000 0.938 576 S CB 1.202 64.651 63.200 0.414 0.000 1.087 576 S HN 1.348 nan 8.310 nan 0.000 0.474 577 A N 3.416 126.380 122.820 0.240 0.000 2.423 577 A HA 0.643 4.962 4.320 -0.001 0.000 0.246 577 A C 0.962 178.660 177.584 0.190 0.000 1.278 577 A CA 0.433 52.589 52.037 0.198 0.000 0.903 577 A CB -0.525 18.519 19.000 0.073 0.000 0.997 577 A HN 0.974 nan 8.150 nan 0.000 0.510 578 G N -0.222 108.675 108.800 0.161 0.000 2.940 578 G HA2 0.399 4.358 3.960 -0.001 0.000 0.164 578 G HA3 0.399 4.358 3.960 -0.001 0.000 0.164 578 G C 0.212 174.950 174.900 -0.269 0.000 1.326 578 G CA 0.528 45.525 45.100 -0.172 0.000 1.020 578 G HN 0.215 nan 8.290 nan 0.000 0.586 579 D N -1.498 118.512 120.400 -0.651 0.000 2.369 579 D HA 0.108 4.747 4.640 -0.001 0.000 0.211 579 D C 0.845 176.191 176.300 -1.590 0.000 1.077 579 D CA -0.176 53.325 54.000 -0.830 0.000 0.842 579 D CB 0.262 40.703 40.800 -0.599 0.000 0.947 579 D HN 0.605 nan 8.370 nan 0.000 0.509 580 R N -1.261 118.503 120.500 -1.227 0.000 2.747 580 R HA 0.716 5.055 4.340 -0.001 0.000 0.272 580 R C -1.761 174.218 176.300 -0.535 0.000 1.032 580 R CA -1.058 54.293 56.100 -1.247 0.000 0.896 580 R CB 1.023 30.785 30.300 -0.896 0.000 1.253 580 R HN 0.030 nan 8.270 nan 0.000 0.461 581 I N 0.779 121.218 120.570 -0.219 0.000 2.775 581 I HA 0.365 4.534 4.170 -0.001 0.000 0.295 581 I C -1.761 174.516 176.117 0.267 0.000 1.287 581 I CA -1.086 60.315 61.300 0.168 0.000 1.029 581 I CB 2.533 40.654 38.000 0.202 0.000 1.282 581 I HN 0.762 nan 8.210 nan 0.000 0.426 582 Y N 8.183 128.571 120.300 0.147 0.000 2.313 582 Y HA 0.650 5.200 4.550 -0.001 0.000 0.332 582 Y C -1.206 174.667 175.900 -0.045 0.000 1.071 582 Y CA -0.511 57.544 58.100 -0.075 0.000 1.169 582 Y CB 0.866 39.013 38.460 -0.522 0.000 1.192 582 Y HN 0.252 nan 8.280 nan 0.000 0.487 583 I N 6.636 126.748 120.570 -0.762 0.000 2.447 583 I HA 0.191 4.360 4.170 -0.001 0.000 0.287 583 I C -0.525 175.066 176.117 -0.876 0.000 1.023 583 I CA -0.964 59.949 61.300 -0.646 0.000 1.083 583 I CB 1.575 39.417 38.000 -0.263 0.000 1.245 583 I HN 0.752 nan 8.210 nan 0.000 0.434 584 E N 3.973 123.758 120.200 -0.691 0.000 2.354 584 E HA 0.444 4.793 4.350 -0.001 0.000 0.269 584 E C 0.683 177.189 176.600 -0.158 0.000 1.036 584 E CA -0.419 55.772 56.400 -0.348 0.000 0.876 584 E CB 0.835 30.492 29.700 -0.071 0.000 1.009 584 E HN 0.831 nan 8.360 nan 0.000 0.416 585 G N 3.311 112.062 108.800 -0.082 0.000 2.371 585 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.299 585 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.299 585 G C -0.126 174.748 174.900 -0.043 0.000 1.014 585 G CA 0.409 45.487 45.100 -0.038 0.000 1.097 585 G HN 0.425 nan 8.290 nan 0.000 0.512 596 R N 4.693 125.157 120.500 -0.060 0.000 2.343 596 R HA 0.809 5.148 4.340 -0.001 0.000 0.320 596 R C -1.068 175.138 176.300 -0.157 0.000 0.956 596 R CA -0.573 55.457 56.100 -0.115 0.000 0.836 596 R CB 2.081 32.322 30.300 -0.098 0.000 1.151 596 R HN 0.538 nan 8.270 nan 0.000 0.450 597 L N 2.991 124.078 121.223 -0.227 0.000 2.330 597 L HA 0.517 4.857 4.340 -0.001 0.000 0.271 597 L C -0.126 176.508 176.870 -0.393 0.000 1.013 597 L CA -0.929 53.798 54.840 -0.189 0.000 0.816 597 L CB 1.607 43.616 42.059 -0.085 0.000 1.287 597 L HN 0.467 nan 8.230 nan 0.000 0.435 598 H N 3.077 122.170 119.070 0.037 0.000 2.658 598 H HA 0.453 5.008 4.556 -0.001 0.000 0.337 598 H C -1.140 174.219 175.328 0.052 0.000 1.009 598 H CA -0.515 55.552 56.048 0.032 0.000 1.231 598 H CB 2.306 32.076 29.762 0.014 0.000 1.508 598 H HN 0.310 nan 8.280 nan 0.000 0.517 599 I N 3.551 124.177 120.570 0.093 0.000 2.382 599 I HA 0.125 4.294 4.170 -0.001 0.000 0.286 599 I C 0.177 176.278 176.117 -0.028 0.000 1.002 599 I CA -0.372 60.931 61.300 0.005 0.000 1.135 599 I CB 1.496 39.455 38.000 -0.067 0.000 1.288 599 I HN 0.514 nan 8.210 nan 0.000 0.448 600 E N 5.433 125.602 120.200 -0.051 0.000 2.227 600 E HA 0.867 5.216 4.350 -0.001 0.000 0.268 600 E C -1.100 175.345 176.600 -0.258 0.000 0.907 600 E CA -1.324 55.003 56.400 -0.121 0.000 0.786 600 E CB 2.086 31.725 29.700 -0.100 0.000 1.191 600 E HN 0.519 nan 8.360 nan 0.000 0.411 601 A N 3.149 125.769 122.820 -0.332 0.000 2.274 601 A HA 0.476 4.795 4.320 -0.001 0.000 0.309 601 A C -0.903 176.356 177.584 -0.542 0.000 1.226 601 A CA -0.706 50.951 52.037 -0.634 0.000 0.853 601 A CB 0.235 18.899 19.000 -0.559 0.000 1.146 601 A HN 0.472 nan 8.150 nan 0.000 0.518 602 L N 2.522 123.319 121.223 -0.710 0.000 2.295 602 L HA 0.423 4.762 4.340 -0.001 0.000 0.285 602 L C 1.138 177.734 176.870 -0.457 0.000 1.035 602 L CA 0.311 54.784 54.840 -0.611 0.000 0.806 602 L CB 1.675 43.181 42.059 -0.921 0.000 1.214 602 L HN 0.850 nan 8.230 nan 0.000 0.426 603 S N 1.384 116.928 115.700 -0.260 0.000 2.641 603 S HA 0.193 4.662 4.470 -0.001 0.000 0.261 603 S C 0.947 175.549 174.600 0.003 0.000 1.257 603 S CA -0.503 57.628 58.200 -0.115 0.000 0.983 603 S CB 0.584 63.752 63.200 -0.054 0.000 0.990 603 S HN 0.601 nan 8.310 nan 0.000 0.572 604 E N 0.720 120.970 120.200 0.083 0.000 2.209 604 E HA -0.087 4.263 4.350 -0.001 0.000 0.196 604 E C 1.644 178.360 176.600 0.193 0.000 0.993 604 E CA 1.529 58.031 56.400 0.170 0.000 0.819 604 E CB -0.844 28.932 29.700 0.126 0.000 0.745 604 E HN 0.816 nan 8.360 nan 0.000 0.477 605 T N -0.244 114.401 114.554 0.152 0.000 3.129 605 T HA 0.044 4.393 4.350 -0.001 0.000 0.251 605 T C 0.132 175.012 174.700 0.300 0.000 1.117 605 T CA -0.204 61.988 62.100 0.154 0.000 1.034 605 T CB -0.105 68.811 68.868 0.081 0.000 0.968 605 T HN 0.034 nan 8.240 nan 0.000 0.526 606 F N 0.425 120.356 119.950 -0.032 0.000 3.018 606 F HA -0.182 4.344 4.527 -0.001 0.000 0.287 606 F C 0.219 175.983 175.800 -0.061 0.000 0.813 606 F CA -0.558 57.407 58.000 -0.058 0.000 1.209 606 F CB -2.323 36.665 39.000 -0.021 0.000 1.321 606 F HN -0.002 nan 8.300 nan 0.000 0.477 607 V N 2.149 122.092 119.914 0.048 0.000 2.470 607 V HA 0.254 4.373 4.120 -0.001 0.000 0.276 607 V C -1.618 174.413 176.094 -0.105 0.000 1.040 607 V CA -1.213 61.078 62.300 -0.015 0.000 1.008 607 V CB 0.688 32.504 31.823 -0.011 0.000 0.990 607 V HN -0.100 nan 8.190 nan 0.000 0.477 608 P HA 0.283 nan 4.420 nan 0.000 0.282 608 P C -0.143 177.075 177.300 -0.138 0.000 1.249 608 P CA -0.354 62.646 63.100 -0.167 0.000 0.806 608 P CB 1.025 32.635 31.700 -0.150 0.000 0.984 609 S N 1.316 116.921 115.700 -0.158 0.000 2.634 609 S HA 0.183 4.653 4.470 -0.001 0.000 0.261 609 S C 0.113 174.653 174.600 -0.101 0.000 1.271 609 S CA -0.557 57.571 58.200 -0.120 0.000 0.985 609 S CB 0.026 63.149 63.200 -0.128 0.000 0.968 609 S HN 0.350 nan 8.310 nan 0.000 0.568 610 D N 1.099 121.453 120.400 -0.076 0.000 2.423 610 D HA 0.348 4.987 4.640 -0.001 0.000 0.238 610 D C 0.311 176.579 176.300 -0.054 0.000 1.142 610 D CA 0.469 54.429 54.000 -0.065 0.000 0.884 610 D CB 0.825 41.597 40.800 -0.046 0.000 1.199 610 D HN 0.812 nan 8.370 nan 0.000 0.438 611 A N 2.571 125.366 122.820 -0.042 0.000 2.450 611 A HA 0.173 4.493 4.320 -0.001 0.000 0.255 611 A C 0.522 178.138 177.584 0.054 0.000 1.096 611 A CA -0.202 51.844 52.037 0.015 0.000 0.778 611 A CB 0.301 19.327 19.000 0.042 0.000 1.031 611 A HN 0.492 nan 8.150 nan 0.000 0.494 612 R N 3.080 123.602 120.500 0.038 0.000 2.234 612 R HA 0.308 4.647 4.340 -0.001 0.000 0.324 612 R C 0.015 176.329 176.300 0.024 0.000 1.054 612 R CA -0.229 55.887 56.100 0.026 0.000 0.912 612 R CB 0.428 30.730 30.300 0.002 0.000 1.030 612 R HN 0.785 nan 8.270 nan 0.000 0.455 613 M N 6.517 126.121 119.600 0.006 0.000 2.162 613 M HA 0.269 4.748 4.480 -0.001 0.000 0.356 613 M C -1.262 174.970 176.300 -0.113 0.000 1.303 613 M CA -0.206 55.022 55.300 -0.120 0.000 1.116 613 M CB 0.704 33.266 32.600 -0.063 0.000 1.632 613 M HN 0.570 nan 8.290 nan 0.000 0.469 614 I N 4.215 124.686 120.570 -0.164 0.000 2.498 614 I HA 0.364 4.533 4.170 -0.001 0.000 0.290 614 I C -0.382 175.670 176.117 -0.109 0.000 1.032 614 I CA -0.460 60.781 61.300 -0.097 0.000 1.073 614 I CB 1.954 39.921 38.000 -0.055 0.000 1.251 614 I HN 0.588 nan 8.210 nan 0.000 0.426 615 D N 0.000 120.358 120.400 -0.070 0.000 6.856 615 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 615 D CA 0.000 53.964 54.000 -0.060 0.000 0.868 615 D CB 0.000 40.773 40.800 -0.046 0.000 0.688 615 D HN 0.000 nan 8.370 nan 0.000 0.683