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 3co9_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YH 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.563 174.600 -0.061 0.000 1.055 1 S CA 0.000 58.174 58.200 -0.043 0.000 1.107 1 S CB 0.000 63.167 63.200 -0.054 0.000 0.593 2 M N 3.182 122.741 119.600 -0.069 0.000 2.238 2 M HA 0.243 4.724 4.480 0.000 0.000 0.350 2 M C 1.939 178.120 176.300 -0.198 0.000 1.321 2 M CA 0.119 55.361 55.300 -0.097 0.000 1.097 2 M CB 0.467 33.029 32.600 -0.063 0.000 1.713 2 M HN 1.044 nan 8.290 nan 0.000 0.455 3 S N 2.969 118.482 115.700 -0.311 0.000 2.370 3 S HA -0.113 4.358 4.470 0.000 0.000 0.226 3 S C 0.181 174.373 174.600 -0.680 0.000 1.033 3 S CA 1.046 58.943 58.200 -0.506 0.000 1.011 3 S CB -0.229 62.588 63.200 -0.637 0.000 0.852 3 S HN 0.645 nan 8.310 nan 0.000 0.457 4 Y N 0.009 120.121 120.300 -0.313 0.000 2.553 4 Y HA 0.589 5.139 4.550 0.000 0.000 0.347 4 Y C -0.160 175.400 175.900 -0.567 0.000 1.019 4 Y CA -0.994 56.783 58.100 -0.539 0.000 1.032 4 Y CB 2.122 40.097 38.460 -0.809 0.000 1.284 4 Y HN -0.127 nan 8.280 nan 0.000 0.466 5 T N 1.298 115.563 114.554 -0.481 0.000 2.841 5 T HA 0.435 4.785 4.350 0.000 0.000 0.283 5 T C -1.425 172.982 174.700 -0.489 0.000 1.000 5 T CA -0.822 61.063 62.100 -0.358 0.000 0.977 5 T CB 0.678 69.472 68.868 -0.124 0.000 0.979 5 T HN 0.461 nan 8.240 nan 0.000 0.446 6 W N 1.064 122.420 121.300 0.093 0.000 2.666 6 W HA 0.400 5.061 4.660 0.000 0.000 0.334 6 W C 1.525 178.074 176.519 0.049 0.000 1.051 6 W CA -0.980 56.404 57.345 0.065 0.000 1.224 6 W CB 1.217 30.699 29.460 0.037 0.000 1.405 6 W HN 0.802 nan 8.180 nan 0.000 0.513 7 T N -1.989 112.745 114.554 0.300 0.000 3.014 7 T HA 0.258 4.608 4.350 0.000 0.000 0.263 7 T C 1.493 176.281 174.700 0.146 0.000 1.078 7 T CA 1.130 63.335 62.100 0.175 0.000 1.135 7 T CB -0.109 68.841 68.868 0.136 0.000 0.895 7 T HN 1.189 nan 8.240 nan 0.000 0.480 8 G N 1.148 110.043 108.800 0.158 0.000 2.253 8 G HA2 0.064 4.025 3.960 0.000 0.000 0.209 8 G HA3 0.064 4.025 3.960 0.000 0.000 0.209 8 G C 0.339 175.266 174.900 0.044 0.000 0.997 8 G CA -0.125 45.022 45.100 0.078 0.000 0.640 8 G HN 1.097 nan 8.290 nan 0.000 0.496 9 A N 1.130 123.991 122.820 0.068 0.000 2.462 9 A HA 0.630 4.950 4.320 0.000 0.000 0.243 9 A C 0.837 178.428 177.584 0.012 0.000 1.076 9 A CA 0.155 52.218 52.037 0.043 0.000 0.773 9 A CB 0.166 19.202 19.000 0.061 0.000 1.010 9 A HN 0.851 nan 8.150 nan 0.000 0.493 10 L N 2.037 123.255 121.223 -0.009 0.000 2.436 10 L HA 0.233 4.573 4.340 0.000 0.000 0.265 10 L C 0.028 176.880 176.870 -0.031 0.000 1.168 10 L CA -0.211 54.605 54.840 -0.040 0.000 0.815 10 L CB 0.570 42.610 42.059 -0.031 0.000 1.109 10 L HN 0.562 nan 8.230 nan 0.000 0.462 11 I N 1.831 122.363 120.570 -0.063 0.000 2.379 11 I HA 0.071 4.242 4.170 0.000 0.000 0.290 11 I C 0.477 176.585 176.117 -0.014 0.000 1.063 11 I CA 0.091 61.370 61.300 -0.035 0.000 1.351 11 I CB 0.810 38.771 38.000 -0.065 0.000 1.410 11 I HN 0.639 nan 8.210 nan 0.000 0.505 12 T N 5.075 119.633 114.554 0.006 0.000 2.859 12 T HA 0.551 4.901 4.350 0.000 0.000 0.281 12 T C -2.485 172.232 174.700 0.027 0.000 1.005 12 T CA -2.195 59.913 62.100 0.013 0.000 1.025 12 T CB 1.615 70.490 68.868 0.012 0.000 0.977 12 T HN 0.226 nan 8.240 nan 0.000 0.458 13 P HA 0.225 nan 4.420 nan 0.000 0.272 13 P C 0.099 177.423 177.300 0.040 0.000 1.230 13 P CA -0.586 62.538 63.100 0.040 0.000 0.788 13 P CB 0.896 32.619 31.700 0.039 0.000 0.949 14 C N 0.859 120.187 119.300 0.048 0.000 3.065 14 C HA 0.638 5.098 4.460 0.000 0.000 0.285 14 C C 0.739 175.752 174.990 0.039 0.000 1.257 14 C CA 0.688 59.733 59.018 0.045 0.000 1.691 14 C CB -1.094 26.683 27.740 0.061 0.000 2.089 14 C HN 0.726 nan 8.230 nan 0.000 0.630 15 A N -0.100 122.745 122.820 0.042 0.000 2.529 15 A HA 0.775 5.095 4.320 0.000 0.000 0.296 15 A C -0.717 176.896 177.584 0.049 0.000 1.205 15 A CA 0.198 52.261 52.037 0.043 0.000 0.671 15 A CB -0.105 18.922 19.000 0.045 0.000 1.301 15 A HN 0.809 nan 8.150 nan 0.000 0.450 16 A N -0.104 122.748 122.820 0.054 0.000 2.462 16 A HA 0.531 4.852 4.320 0.000 0.000 0.243 16 A C -0.105 177.527 177.584 0.080 0.000 1.076 16 A CA 0.303 52.378 52.037 0.062 0.000 0.773 16 A CB -0.222 18.816 19.000 0.062 0.000 1.010 16 A HN 0.597 nan 8.150 nan 0.000 0.493 17 E N 1.463 121.715 120.200 0.086 0.000 2.185 17 E HA 0.273 4.623 4.350 0.000 0.000 0.261 17 E C -0.998 175.687 176.600 0.142 0.000 0.879 17 E CA -0.291 56.173 56.400 0.107 0.000 0.756 17 E CB 1.517 31.269 29.700 0.086 0.000 1.152 17 E HN 0.744 nan 8.360 nan 0.000 0.416 18 E N 1.108 121.436 120.200 0.213 0.000 2.249 18 E HA 0.124 4.474 4.350 0.000 0.000 0.280 18 E C 0.359 177.184 176.600 0.375 0.000 1.016 18 E CA -0.108 56.461 56.400 0.282 0.000 0.830 18 E CB 1.310 31.222 29.700 0.353 0.000 1.081 18 E HN 0.535 nan 8.360 nan 0.000 0.395 19 S N 2.620 118.513 115.700 0.321 0.000 2.564 19 S HA 0.119 4.589 4.470 0.000 0.000 0.231 19 S C 0.573 175.430 174.600 0.429 0.000 1.067 19 S CA -0.194 58.214 58.200 0.347 0.000 0.908 19 S CB 0.382 63.719 63.200 0.229 0.000 0.809 19 S HN 0.215 nan 8.310 nan 0.000 0.491 20 K N 1.638 122.216 120.400 0.296 0.000 2.205 20 K HA 0.344 4.665 4.320 0.000 0.000 0.279 20 K C -0.801 175.816 176.600 0.028 0.000 1.027 20 K CA -0.738 55.669 56.287 0.201 0.000 0.932 20 K CB 1.341 33.900 32.500 0.098 0.000 1.032 20 K HN 0.231 nan 8.250 nan 0.000 0.466 21 L N 5.680 126.920 121.223 0.029 0.000 2.660 21 L HA 0.001 4.341 4.340 0.000 0.000 0.272 21 L C -2.327 174.262 176.870 -0.468 0.000 1.194 21 L CA -0.552 54.100 54.840 -0.312 0.000 0.945 21 L CB -0.259 41.787 42.059 -0.020 0.000 1.212 21 L HN 0.405 nan 8.230 nan 0.000 0.490 22 P HA 0.198 nan 4.420 nan 0.000 0.269 22 P C -0.958 176.100 177.300 -0.404 0.000 1.209 22 P CA -0.008 62.780 63.100 -0.520 0.000 0.776 22 P CB 0.550 31.881 31.700 -0.615 0.000 0.876 23 I N 2.799 123.192 120.570 -0.296 0.000 2.465 23 I HA 0.363 4.533 4.170 0.000 0.000 0.291 23 I C 0.391 176.399 176.117 -0.182 0.000 1.014 23 I CA -0.663 60.469 61.300 -0.280 0.000 1.093 23 I CB 1.551 39.372 38.000 -0.299 0.000 1.267 23 I HN 0.482 nan 8.210 nan 0.000 0.431 24 N N 4.285 122.895 118.700 -0.150 0.000 3.379 24 N HA 0.455 5.195 4.740 0.000 0.000 0.350 24 N C 0.430 175.901 175.510 -0.065 0.000 1.553 24 N CA -0.380 52.612 53.050 -0.096 0.000 0.712 24 N CB 0.551 38.985 38.487 -0.088 0.000 1.880 24 N HN 0.386 nan 8.380 nan 0.000 0.648 25 A N -0.654 122.139 122.820 -0.044 0.000 2.119 25 A HA 0.163 4.483 4.320 0.000 0.000 0.217 25 A C 1.768 179.342 177.584 -0.018 0.000 1.153 25 A CA 0.747 52.768 52.037 -0.027 0.000 0.692 25 A CB -0.896 18.090 19.000 -0.023 0.000 0.799 25 A HN 0.531 nan 8.150 nan 0.000 0.458 26 L N -1.386 119.825 121.223 -0.020 0.000 2.463 26 L HA 0.022 4.362 4.340 0.000 0.000 0.219 26 L C 2.489 179.387 176.870 0.046 0.000 1.088 26 L CA 0.501 55.346 54.840 0.009 0.000 0.849 26 L CB -0.195 41.856 42.059 -0.014 0.000 1.012 26 L HN 0.221 nan 8.230 nan 0.000 0.468 27 S N 0.687 116.388 115.700 0.002 0.000 2.359 27 S HA -0.182 4.288 4.470 0.000 0.000 0.223 27 S C 1.732 176.379 174.600 0.078 0.000 1.039 27 S CA 1.663 59.861 58.200 -0.004 0.000 1.042 27 S CB -0.313 62.799 63.200 -0.147 0.000 0.915 27 S HN 0.447 nan 8.310 nan 0.000 0.439 28 N N 1.468 120.230 118.700 0.104 0.000 2.223 28 N HA -0.074 4.667 4.740 0.000 0.000 0.185 28 N C 1.932 177.470 175.510 0.047 0.000 1.016 28 N CA 1.337 54.461 53.050 0.123 0.000 0.863 28 N CB -0.571 37.972 38.487 0.094 0.000 0.983 28 N HN 0.586 nan 8.380 nan 0.000 0.429 29 S N -0.289 115.430 115.700 0.032 0.000 2.442 29 S HA -0.080 4.390 4.470 0.000 0.000 0.236 29 S C 1.807 176.415 174.600 0.013 0.000 1.007 29 S CA 0.577 58.771 58.200 -0.009 0.000 0.965 29 S CB -0.200 63.012 63.200 0.020 0.000 0.773 29 S HN 0.237 nan 8.310 nan 0.000 0.504 30 L N -0.156 121.094 121.223 0.045 0.000 2.269 30 L HA 0.594 4.934 4.340 0.000 0.000 0.200 30 L C 0.174 177.090 176.870 0.077 0.000 1.069 30 L CA 0.907 55.769 54.840 0.036 0.000 0.804 30 L CB 0.140 42.003 42.059 -0.326 0.000 0.987 30 L HN 0.502 nan 8.230 nan 0.000 0.468 31 L N -0.873 120.386 121.223 0.059 0.000 2.562 31 L HA 0.394 4.734 4.340 0.000 0.000 0.266 31 L C 0.383 177.280 176.870 0.044 0.000 0.949 31 L CA -0.457 54.410 54.840 0.044 0.000 0.879 31 L CB 1.345 43.456 42.059 0.086 0.000 1.278 31 L HN -0.047 nan 8.230 nan 0.000 0.404 32 R N 1.472 121.878 120.500 -0.156 0.000 2.156 32 R HA 0.131 4.472 4.340 0.000 0.000 0.207 32 R C 0.008 176.060 176.300 -0.414 0.000 1.040 32 R CA 0.514 56.437 56.100 -0.295 0.000 1.013 32 R CB -0.034 30.134 30.300 -0.219 0.000 0.931 32 R HN 0.676 nan 8.270 nan 0.000 0.465 33 H N 0.800 119.758 119.070 -0.187 0.000 2.855 33 H HA 0.124 4.680 4.556 0.000 0.000 0.238 33 H C 0.591 175.907 175.328 -0.020 0.000 1.847 33 H CA -0.290 55.683 56.048 -0.126 0.000 1.368 33 H CB -0.141 29.604 29.762 -0.029 0.000 1.758 33 H HN 0.343 nan 8.280 nan 0.000 0.546 34 H N 0.893 120.052 119.070 0.148 0.000 2.421 34 H HA -0.164 4.392 4.556 0.000 0.000 0.298 34 H C 1.869 177.272 175.328 0.125 0.000 1.087 34 H CA 1.207 57.319 56.048 0.106 0.000 1.330 34 H CB 0.243 30.041 29.762 0.060 0.000 1.388 34 H HN 0.644 nan 8.280 nan 0.000 0.526 35 N N 0.872 119.699 118.700 0.211 0.000 2.573 35 N HA -0.114 4.626 4.740 0.000 0.000 0.187 35 N C 1.270 176.888 175.510 0.181 0.000 1.107 35 N CA 0.919 54.069 53.050 0.167 0.000 0.918 35 N CB -0.275 38.273 38.487 0.103 0.000 0.966 35 N HN 0.402 nan 8.380 nan 0.000 0.448 36 M N -0.292 119.428 119.600 0.201 0.000 2.514 36 M HA 0.134 4.614 4.480 0.000 0.000 0.258 36 M C -0.229 176.248 176.300 0.295 0.000 1.119 36 M CA 0.208 55.638 55.300 0.217 0.000 1.111 36 M CB 0.518 33.234 32.600 0.193 0.000 1.390 36 M HN -0.057 nan 8.290 nan 0.000 0.475 37 V N 1.364 121.456 119.914 0.297 0.000 2.394 37 V HA 0.304 4.424 4.120 0.000 0.000 0.282 37 V C -0.793 175.548 176.094 0.413 0.000 1.031 37 V CA -0.687 61.796 62.300 0.305 0.000 0.881 37 V CB 0.546 32.530 31.823 0.268 0.000 0.982 37 V HN 0.313 nan 8.190 nan 0.000 0.451 38 Y N 2.790 123.254 120.300 0.273 0.000 2.588 38 Y HA 0.917 5.468 4.550 0.000 0.000 0.343 38 Y C -0.434 175.573 175.900 0.178 0.000 1.065 38 Y CA -1.421 56.848 58.100 0.282 0.000 1.038 38 Y CB 1.593 40.174 38.460 0.202 0.000 1.297 38 Y HN 0.681 nan 8.280 nan 0.000 0.467 39 A N 1.508 124.428 122.820 0.167 0.000 2.337 39 A HA 0.676 4.996 4.320 0.000 0.000 0.329 39 A C -0.127 177.564 177.584 0.179 0.000 1.146 39 A CA -0.383 51.560 52.037 -0.156 0.000 0.800 39 A CB 0.549 19.228 19.000 -0.536 0.000 1.220 39 A HN 1.097 nan 8.150 nan 0.000 0.472 40 T N 0.033 114.674 114.554 0.145 0.000 2.907 40 T HA 0.557 4.908 4.350 0.000 0.000 0.298 40 T C 0.378 175.146 174.700 0.114 0.000 1.017 40 T CA 0.395 62.628 62.100 0.221 0.000 1.118 40 T CB 0.674 69.689 68.868 0.245 0.000 0.948 40 T HN 1.399 nan 8.240 nan 0.000 0.531 41 T N -1.497 113.125 114.554 0.112 0.000 2.831 41 T HA 0.479 4.829 4.350 0.000 0.000 0.287 41 T C 1.481 176.215 174.700 0.056 0.000 1.070 41 T CA -0.227 61.919 62.100 0.077 0.000 1.010 41 T CB 1.179 70.097 68.868 0.084 0.000 1.264 41 T HN 0.753 nan 8.240 nan 0.000 0.532 42 S N -0.029 115.696 115.700 0.041 0.000 2.465 42 S HA -0.148 4.323 4.470 0.000 0.000 0.241 42 S C 1.831 176.434 174.600 0.006 0.000 1.000 42 S CA 0.594 58.806 58.200 0.019 0.000 0.964 42 S CB -0.724 62.487 63.200 0.018 0.000 0.763 42 S HN 0.713 nan 8.310 nan 0.000 0.512 43 R N 1.429 121.941 120.500 0.019 0.000 2.159 43 R HA -0.057 4.283 4.340 0.000 0.000 0.237 43 R C 2.263 178.561 176.300 -0.004 0.000 1.131 43 R CA 1.554 57.659 56.100 0.009 0.000 0.982 43 R CB -0.423 29.891 30.300 0.023 0.000 0.868 43 R HN 0.745 nan 8.270 nan 0.000 0.453 44 S N -0.938 114.764 115.700 0.004 0.000 2.556 44 S HA 0.211 4.681 4.470 0.000 0.000 0.216 44 S C 1.811 176.391 174.600 -0.033 0.000 0.970 44 S CA 0.207 58.402 58.200 -0.008 0.000 0.912 44 S CB 0.827 64.037 63.200 0.016 0.000 0.790 44 S HN 0.272 nan 8.310 nan 0.000 0.504 45 A N 2.172 124.964 122.820 -0.047 0.000 1.917 45 A HA 0.101 4.422 4.320 0.000 0.000 0.219 45 A C 2.280 179.766 177.584 -0.164 0.000 1.182 45 A CA 1.704 53.686 52.037 -0.091 0.000 0.633 45 A CB -1.691 17.251 19.000 -0.097 0.000 0.819 45 A HN 0.659 nan 8.150 nan 0.000 0.448 46 G N -0.655 108.048 108.800 -0.162 0.000 2.422 46 G HA2 -0.104 3.856 3.960 0.000 0.000 0.218 46 G HA3 -0.104 3.856 3.960 0.000 0.000 0.218 46 G C 1.429 176.234 174.900 -0.158 0.000 1.146 46 G CA 1.108 46.085 45.100 -0.206 0.000 0.769 46 G HN 0.410 nan 8.290 nan 0.000 0.547 47 L N 0.566 121.731 121.223 -0.096 0.000 2.046 47 L HA 0.076 4.416 4.340 0.000 0.000 0.208 47 L C 2.761 179.603 176.870 -0.048 0.000 1.077 47 L CA 1.799 56.605 54.840 -0.058 0.000 0.747 47 L CB -0.535 41.502 42.059 -0.037 0.000 0.896 47 L HN 0.209 nan 8.230 nan 0.000 0.432 48 R N -0.477 119.988 120.500 -0.058 0.000 2.073 48 R HA -0.159 4.182 4.340 0.000 0.000 0.234 48 R C 2.224 178.491 176.300 -0.055 0.000 1.134 48 R CA 1.729 57.809 56.100 -0.032 0.000 0.952 48 R CB -0.502 29.781 30.300 -0.028 0.000 0.850 48 R HN 0.516 nan 8.270 nan 0.000 0.433 49 Q N 0.275 119.961 119.800 -0.191 0.000 2.062 49 Q HA -0.243 4.097 4.340 0.000 0.000 0.209 49 Q C 2.045 178.021 176.000 -0.039 0.000 0.996 49 Q CA 2.399 58.018 55.803 -0.307 0.000 0.859 49 Q CB -0.218 28.030 28.738 -0.817 0.000 0.920 49 Q HN 0.373 nan 8.270 nan 0.000 0.415 50 K N 0.711 121.086 120.400 -0.042 0.000 2.044 50 K HA -0.214 4.107 4.320 0.000 0.000 0.210 50 K C 2.125 178.815 176.600 0.150 0.000 1.049 50 K CA 1.365 57.691 56.287 0.065 0.000 0.927 50 K CB -0.201 32.314 32.500 0.025 0.000 0.713 50 K HN 0.090 nan 8.250 nan 0.000 0.443 51 K N 1.198 121.674 120.400 0.127 0.000 2.057 51 K HA -0.114 4.207 4.320 0.000 0.000 0.206 51 K C 1.902 178.703 176.600 0.335 0.000 1.050 51 K CA 1.468 57.862 56.287 0.178 0.000 0.935 51 K CB 0.110 32.679 32.500 0.114 0.000 0.715 51 K HN 0.145 nan 8.250 nan 0.000 0.439 52 V N -1.207 118.892 119.914 0.308 0.000 3.573 52 V HA 0.086 4.206 4.120 0.000 0.000 0.270 52 V C 0.216 176.504 176.094 0.323 0.000 1.221 52 V CA 0.307 62.842 62.300 0.391 0.000 1.163 52 V CB 0.001 32.000 31.823 0.293 0.000 0.847 52 V HN 0.017 nan 8.190 nan 0.000 0.468 53 T N 4.323 119.103 114.554 0.376 0.000 2.753 53 T HA 0.716 5.066 4.350 0.000 0.000 0.297 53 T C -0.743 174.144 174.700 0.311 0.000 0.981 53 T CA -0.038 62.243 62.100 0.302 0.000 0.956 53 T CB 0.179 69.324 68.868 0.462 0.000 0.936 53 T HN 0.613 nan 8.240 nan 0.000 0.463 54 F N -0.193 119.854 119.950 0.161 0.000 2.773 54 F HA 0.645 5.173 4.527 0.000 0.000 0.314 54 F C -1.069 174.764 175.800 0.056 0.000 1.160 54 F CA -1.736 56.321 58.000 0.095 0.000 0.920 54 F CB 0.758 39.806 39.000 0.080 0.000 1.323 54 F HN 0.209 nan 8.300 nan 0.000 0.457 55 D N 0.827 121.386 120.400 0.265 0.000 2.308 55 D HA 0.448 5.088 4.640 0.000 0.000 0.251 55 D C -0.827 175.597 176.300 0.207 0.000 1.127 55 D CA -0.041 54.044 54.000 0.141 0.000 0.876 55 D CB 0.833 41.693 40.800 0.100 0.000 1.176 55 D HN 0.535 nan 8.370 nan 0.000 0.446 56 R N 2.619 123.180 120.500 0.102 0.000 2.346 56 R HA 0.609 4.949 4.340 0.000 0.000 0.311 56 R C -0.749 175.578 176.300 0.045 0.000 0.983 56 R CA -0.471 55.691 56.100 0.104 0.000 0.880 56 R CB 1.029 31.359 30.300 0.049 0.000 1.100 56 R HN 0.416 nan 8.270 nan 0.000 0.453 57 L N 1.861 123.109 121.223 0.042 0.000 2.362 57 L HA 0.529 4.869 4.340 0.000 0.000 0.271 57 L C -0.430 176.438 176.870 -0.002 0.000 1.002 57 L CA -0.713 54.133 54.840 0.010 0.000 0.818 57 L CB 2.181 44.244 42.059 0.008 0.000 1.298 57 L HN 0.445 nan 8.230 nan 0.000 0.420 58 Q N 1.588 121.375 119.800 -0.023 0.000 2.323 58 Q HA 0.589 4.930 4.340 0.000 0.000 0.271 58 Q C -1.733 174.237 176.000 -0.048 0.000 1.048 58 Q CA -0.545 55.235 55.803 -0.038 0.000 0.792 58 Q CB 3.048 31.745 28.738 -0.069 0.000 1.280 58 Q HN 0.395 nan 8.270 nan 0.000 0.441 59 V N 5.467 125.361 119.914 -0.032 0.000 2.349 59 V HA 0.408 4.528 4.120 0.000 0.000 0.284 59 V C -0.735 175.365 176.094 0.010 0.000 1.014 59 V CA -0.507 61.776 62.300 -0.028 0.000 0.826 59 V CB 1.211 33.014 31.823 -0.033 0.000 1.009 59 V HN 0.668 nan 8.190 nan 0.000 0.431 60 L N 5.621 126.808 121.223 -0.060 0.000 2.296 60 L HA 0.656 4.996 4.340 0.000 0.000 0.286 60 L C -0.179 176.704 176.870 0.022 0.000 1.023 60 L CA -0.557 54.212 54.840 -0.118 0.000 0.812 60 L CB 1.692 43.482 42.059 -0.449 0.000 1.223 60 L HN 0.661 nan 8.230 nan 0.000 0.421 61 D N 0.306 120.797 120.400 0.151 0.000 2.616 61 D HA 0.156 4.796 4.640 0.000 0.000 0.260 61 D C 0.259 176.630 176.300 0.118 0.000 1.158 61 D CA -0.626 53.447 54.000 0.122 0.000 1.085 61 D CB 0.808 41.690 40.800 0.136 0.000 1.222 61 D HN 0.307 nan 8.370 nan 0.000 0.626 62 D N -1.166 119.243 120.400 0.015 0.000 2.117 62 D HA -0.154 4.486 4.640 0.000 0.000 0.197 62 D C 1.773 178.068 176.300 -0.008 0.000 0.987 62 D CA 1.110 55.088 54.000 -0.037 0.000 0.829 62 D CB -0.110 40.611 40.800 -0.132 0.000 0.961 62 D HN 0.406 nan 8.370 nan 0.000 0.460 63 H N -0.026 119.102 119.070 0.097 0.000 2.319 63 H HA -0.185 4.371 4.556 0.000 0.000 0.297 63 H C 2.068 177.424 175.328 0.046 0.000 1.097 63 H CA 1.149 57.247 56.048 0.084 0.000 1.285 63 H CB -0.851 28.987 29.762 0.127 0.000 1.368 63 H HN 0.330 nan 8.280 nan 0.000 0.495 64 Y N 1.801 122.127 120.300 0.044 0.000 2.097 64 Y HA -0.258 4.292 4.550 0.000 0.000 0.282 64 Y C 2.767 178.611 175.900 -0.094 0.000 1.152 64 Y CA 1.824 59.821 58.100 -0.172 0.000 1.136 64 Y CB -0.128 38.136 38.460 -0.327 0.000 0.975 64 Y HN -0.023 nan 8.280 nan 0.000 0.498 65 R N -0.007 120.541 120.500 0.079 0.000 2.092 65 R HA -0.145 4.196 4.340 0.000 0.000 0.231 65 R C 1.814 178.082 176.300 -0.053 0.000 1.119 65 R CA 1.416 57.516 56.100 0.000 0.000 0.970 65 R CB -0.341 30.002 30.300 0.072 0.000 0.864 65 R HN 0.417 nan 8.270 nan 0.000 0.440 66 D N 0.191 120.583 120.400 -0.013 0.000 2.104 66 D HA -0.136 4.504 4.640 0.000 0.000 0.194 66 D C 1.959 178.241 176.300 -0.031 0.000 0.994 66 D CA 1.149 55.147 54.000 -0.003 0.000 0.830 66 D CB -0.262 40.566 40.800 0.047 0.000 0.959 66 D HN 0.008 nan 8.370 nan 0.000 0.452 67 V N 1.050 120.927 119.914 -0.063 0.000 2.427 67 V HA -0.193 3.927 4.120 0.000 0.000 0.248 67 V C 2.430 178.453 176.094 -0.120 0.000 1.051 67 V CA 0.924 63.172 62.300 -0.085 0.000 1.048 67 V CB -0.421 31.324 31.823 -0.130 0.000 0.666 67 V HN 0.127 nan 8.190 nan 0.000 0.456 68 L N 0.666 121.751 121.223 -0.229 0.000 2.046 68 L HA -0.181 4.159 4.340 0.000 0.000 0.208 68 L C 2.425 179.225 176.870 -0.117 0.000 1.077 68 L CA 2.266 56.970 54.840 -0.227 0.000 0.747 68 L CB -0.855 41.005 42.059 -0.331 0.000 0.896 68 L HN 0.303 nan 8.230 nan 0.000 0.432 69 K N -0.537 119.813 120.400 -0.084 0.000 2.057 69 K HA -0.216 4.105 4.320 0.000 0.000 0.207 69 K C 1.936 178.516 176.600 -0.034 0.000 1.049 69 K CA 1.829 58.087 56.287 -0.048 0.000 0.931 69 K CB -0.137 32.344 32.500 -0.031 0.000 0.714 69 K HN 0.500 nan 8.250 nan 0.000 0.440 70 E N 0.257 120.442 120.200 -0.025 0.000 2.051 70 E HA -0.213 4.137 4.350 0.000 0.000 0.192 70 E C 2.123 178.717 176.600 -0.010 0.000 0.991 70 E CA 1.798 58.194 56.400 -0.006 0.000 0.799 70 E CB -0.106 29.604 29.700 0.017 0.000 0.748 70 E HN 0.365 nan 8.360 nan 0.000 0.449 71 M N 0.562 120.153 119.600 -0.016 0.000 2.117 71 M HA -0.195 4.285 4.480 0.000 0.000 0.262 71 M C 2.182 178.449 176.300 -0.056 0.000 1.065 71 M CA 1.520 56.798 55.300 -0.036 0.000 1.114 71 M CB -0.151 32.426 32.600 -0.038 0.000 1.361 71 M HN -0.049 nan 8.290 nan 0.000 0.408 72 K N 0.171 120.538 120.400 -0.055 0.000 2.097 72 K HA -0.075 4.245 4.320 0.000 0.000 0.205 72 K C 2.124 178.703 176.600 -0.035 0.000 1.050 72 K CA 1.306 57.564 56.287 -0.049 0.000 0.938 72 K CB -0.264 32.206 32.500 -0.049 0.000 0.718 72 K HN 0.302 nan 8.250 nan 0.000 0.442 73 A N 2.114 124.917 122.820 -0.028 0.000 1.883 73 A HA -0.238 4.082 4.320 0.000 0.000 0.217 73 A C 1.913 179.483 177.584 -0.024 0.000 1.186 73 A CA 1.715 53.740 52.037 -0.021 0.000 0.624 73 A CB -0.320 18.671 19.000 -0.014 0.000 0.822 73 A HN 0.219 nan 8.150 nan 0.000 0.444 74 K N -0.490 119.891 120.400 -0.032 0.000 2.057 74 K HA 0.023 4.343 4.320 0.000 0.000 0.206 74 K C 2.321 178.893 176.600 -0.047 0.000 1.050 74 K CA 0.983 57.245 56.287 -0.041 0.000 0.935 74 K CB -0.337 32.130 32.500 -0.056 0.000 0.715 74 K HN 0.425 nan 8.250 nan 0.000 0.439 75 A N 1.304 124.095 122.820 -0.050 0.000 1.940 75 A HA -0.165 4.155 4.320 0.000 0.000 0.219 75 A C 2.117 179.688 177.584 -0.021 0.000 1.176 75 A CA 1.798 53.811 52.037 -0.040 0.000 0.631 75 A CB -0.554 18.424 19.000 -0.036 0.000 0.814 75 A HN 0.177 nan 8.150 nan 0.000 0.446 76 S N -0.441 115.248 115.700 -0.019 0.000 2.500 76 S HA -0.105 4.365 4.470 0.000 0.000 0.239 76 S C 1.896 176.490 174.600 -0.010 0.000 0.989 76 S CA 1.600 59.794 58.200 -0.010 0.000 0.951 76 S CB -0.496 62.698 63.200 -0.010 0.000 0.759 76 S HN 0.917 nan 8.310 nan 0.000 0.523 77 T N -1.115 113.429 114.554 -0.017 0.000 3.081 77 T HA 0.200 4.550 4.350 0.000 0.000 0.250 77 T C 0.467 175.157 174.700 -0.017 0.000 1.100 77 T CA -0.126 61.965 62.100 -0.016 0.000 1.038 77 T CB -0.217 68.639 68.868 -0.020 0.000 0.962 77 T HN 0.022 nan 8.240 nan 0.000 0.516 78 V N 2.138 122.041 119.914 -0.019 0.000 2.461 78 V HA 0.365 4.485 4.120 0.000 0.000 0.275 78 V C 0.165 176.254 176.094 -0.007 0.000 1.047 78 V CA -0.859 61.430 62.300 -0.019 0.000 0.955 78 V CB 1.106 32.913 31.823 -0.027 0.000 0.988 78 V HN 0.378 nan 8.190 nan 0.000 0.471 79 K N 3.899 124.296 120.400 -0.006 0.000 2.265 79 K HA 0.732 5.053 4.320 0.000 0.000 0.267 79 K C -0.445 176.157 176.600 0.002 0.000 0.994 79 K CA -0.362 55.927 56.287 0.002 0.000 0.860 79 K CB 1.284 33.786 32.500 0.004 0.000 1.099 79 K HN 0.838 nan 8.250 nan 0.000 0.448 80 A N 4.045 126.870 122.820 0.009 0.000 2.356 80 A HA 0.498 4.818 4.320 0.000 0.000 0.323 80 A C -1.150 176.448 177.584 0.023 0.000 1.119 80 A CA -0.911 51.133 52.037 0.010 0.000 0.790 80 A CB 0.876 19.878 19.000 0.004 0.000 1.273 80 A HN 0.847 nan 8.150 nan 0.000 0.452 81 K N 1.762 122.179 120.400 0.028 0.000 2.156 81 K HA 0.715 5.035 4.320 0.000 0.000 0.250 81 K C -1.199 175.427 176.600 0.042 0.000 0.955 81 K CA -0.625 55.682 56.287 0.033 0.000 0.855 81 K CB 1.264 33.781 32.500 0.027 0.000 1.101 81 K HN 0.526 nan 8.250 nan 0.000 0.434 82 L N 2.755 124.000 121.223 0.036 0.000 2.416 82 L HA 0.120 4.460 4.340 0.000 0.000 0.272 82 L C -0.283 176.574 176.870 -0.022 0.000 1.161 82 L CA -0.873 53.979 54.840 0.020 0.000 0.845 82 L CB 0.470 42.536 42.059 0.012 0.000 1.119 82 L HN 0.521 nan 8.230 nan 0.000 0.464 83 L N 2.923 124.120 121.223 -0.043 0.000 2.349 83 L HA 0.185 4.525 4.340 0.000 0.000 0.275 83 L C 0.637 177.403 176.870 -0.174 0.000 1.115 83 L CA 0.429 55.221 54.840 -0.081 0.000 0.820 83 L CB 1.414 43.430 42.059 -0.073 0.000 1.135 83 L HN 0.718 nan 8.230 nan 0.000 0.445 84 S N 2.032 117.641 115.700 -0.152 0.000 2.589 84 S HA 0.147 4.618 4.470 0.000 0.000 0.265 84 S C 1.386 175.846 174.600 -0.232 0.000 1.342 84 S CA -0.572 57.516 58.200 -0.188 0.000 1.005 84 S CB 0.664 63.792 63.200 -0.119 0.000 0.909 84 S HN 0.343 nan 8.310 nan 0.000 0.555 85 V N 1.935 121.683 119.914 -0.276 0.000 2.287 85 V HA -0.195 3.925 4.120 0.000 0.000 0.248 85 V C 2.620 178.606 176.094 -0.180 0.000 1.053 85 V CA 2.481 64.610 62.300 -0.285 0.000 1.027 85 V CB -1.488 30.125 31.823 -0.351 0.000 0.646 85 V HN 0.888 nan 8.190 nan 0.000 0.447 86 E N 0.299 120.421 120.200 -0.130 0.000 2.058 86 E HA -0.219 4.131 4.350 0.000 0.000 0.194 86 E C 2.173 178.711 176.600 -0.103 0.000 0.997 86 E CA 1.551 57.894 56.400 -0.095 0.000 0.801 86 E CB -0.355 29.305 29.700 -0.067 0.000 0.746 86 E HN 0.676 nan 8.360 nan 0.000 0.450 87 E N 0.406 120.539 120.200 -0.111 0.000 2.058 87 E HA -0.234 4.116 4.350 0.000 0.000 0.194 87 E C 2.090 178.590 176.600 -0.167 0.000 0.997 87 E CA 1.122 57.449 56.400 -0.122 0.000 0.801 87 E CB -0.233 29.401 29.700 -0.109 0.000 0.746 87 E HN 0.306 nan 8.360 nan 0.000 0.450 88 A N 0.669 123.383 122.820 -0.176 0.000 1.902 88 A HA -0.203 4.117 4.320 0.000 0.000 0.217 88 A C 2.423 179.910 177.584 -0.161 0.000 1.181 88 A CA 1.275 53.198 52.037 -0.189 0.000 0.623 88 A CB -0.844 18.051 19.000 -0.174 0.000 0.818 88 A HN 0.378 nan 8.150 nan 0.000 0.443 89 C N -0.434 118.787 119.300 -0.131 0.000 2.425 89 C HA -0.036 4.424 4.460 0.000 0.000 0.277 89 C C 2.493 177.425 174.990 -0.096 0.000 1.280 89 C CA 1.231 60.190 59.018 -0.099 0.000 1.744 89 C CB -0.740 26.951 27.740 -0.083 0.000 1.989 89 C HN 0.464 nan 8.230 nan 0.000 0.491 90 K N 0.926 121.268 120.400 -0.097 0.000 2.365 90 K HA 0.126 4.446 4.320 0.000 0.000 0.199 90 K C 1.407 177.969 176.600 -0.065 0.000 1.045 90 K CA 0.694 56.942 56.287 -0.066 0.000 0.962 90 K CB -0.497 31.973 32.500 -0.050 0.000 0.759 90 K HN 0.518 nan 8.250 nan 0.000 0.469 91 L N 0.816 121.950 121.223 -0.148 0.000 2.591 91 L HA 0.030 4.370 4.340 0.000 0.000 0.228 91 L C 0.144 176.910 176.870 -0.173 0.000 1.133 91 L CA 0.177 54.889 54.840 -0.213 0.000 0.880 91 L CB -0.090 41.713 42.059 -0.427 0.000 1.033 91 L HN -0.103 nan 8.230 nan 0.000 0.450 92 T N 1.539 116.009 114.554 -0.139 0.000 2.780 92 T HA 0.238 4.588 4.350 0.000 0.000 0.294 92 T C -2.361 172.190 174.700 -0.249 0.000 0.949 92 T CA -1.267 60.734 62.100 -0.165 0.000 1.074 92 T CB 1.136 69.927 68.868 -0.128 0.000 0.910 92 T HN -0.165 nan 8.240 nan 0.000 0.501 93 P HA 0.120 nan 4.420 nan 0.000 0.263 93 P C -1.925 175.037 177.300 -0.564 0.000 1.195 93 P CA -1.267 61.471 63.100 -0.603 0.000 0.762 93 P CB 0.135 31.348 31.700 -0.811 0.000 0.799 94 P HA -0.180 nan 4.420 nan 0.000 0.219 94 P C 0.530 177.774 177.300 -0.093 0.000 1.144 94 P CA 1.669 64.623 63.100 -0.243 0.000 0.806 94 P CB -0.492 31.080 31.700 -0.213 0.000 0.771 95 H N -4.760 114.186 119.070 -0.206 0.000 2.542 95 H HA 0.426 4.982 4.556 0.000 0.000 0.283 95 H C 0.592 175.849 175.328 -0.119 0.000 1.059 95 H CA -0.549 55.420 56.048 -0.132 0.000 1.162 95 H CB -0.212 29.485 29.762 -0.109 0.000 1.539 95 H HN -0.152 nan 8.280 nan 0.000 0.543 96 S N 1.271 116.759 115.700 -0.354 0.000 2.562 96 S HA 0.379 4.849 4.470 0.000 0.000 0.281 96 S C 0.813 175.320 174.600 -0.155 0.000 1.333 96 S CA -0.314 57.714 58.200 -0.286 0.000 1.052 96 S CB 0.009 63.053 63.200 -0.260 0.000 0.884 96 S HN 0.659 nan 8.310 nan 0.000 0.506 97 A N 4.802 127.536 122.820 -0.143 0.000 2.584 97 A HA 0.178 4.498 4.320 0.000 0.000 0.239 97 A C 0.575 178.128 177.584 -0.050 0.000 1.043 97 A CA 0.059 52.053 52.037 -0.071 0.000 0.756 97 A CB -0.300 18.678 19.000 -0.037 0.000 0.963 97 A HN 0.874 nan 8.150 nan 0.000 0.511 98 K N 2.462 122.827 120.400 -0.059 0.000 2.380 98 K HA 0.301 4.621 4.320 0.000 0.000 0.267 98 K C 0.375 176.878 176.600 -0.162 0.000 0.990 98 K CA 0.186 56.404 56.287 -0.115 0.000 0.946 98 K CB 0.437 32.874 32.500 -0.105 0.000 0.937 98 K HN 0.471 nan 8.250 nan 0.000 0.491 99 S N 0.713 116.203 115.700 -0.350 0.000 2.579 99 S HA 0.041 4.511 4.470 0.000 0.000 0.275 99 S C 0.626 175.020 174.600 -0.343 0.000 1.345 99 S CA -0.502 57.462 58.200 -0.394 0.000 1.031 99 S CB 0.587 63.226 63.200 -0.935 0.000 0.892 99 S HN 0.701 nan 8.310 nan 0.000 0.529 100 K N 2.307 122.489 120.400 -0.364 0.000 2.439 100 K HA -0.003 4.317 4.320 0.000 0.000 0.197 100 K C -0.124 176.043 176.600 -0.721 0.000 1.041 100 K CA 0.996 56.933 56.287 -0.584 0.000 0.970 100 K CB -0.131 31.880 32.500 -0.814 0.000 0.773 100 K HN 0.626 nan 8.250 nan 0.000 0.479 101 F N 0.447 120.239 119.950 -0.263 0.000 2.925 101 F HA 0.268 4.795 4.527 0.000 0.000 0.302 101 F C 0.987 176.714 175.800 -0.121 0.000 1.189 101 F CA -0.457 57.396 58.000 -0.244 0.000 1.346 101 F CB 0.693 39.389 39.000 -0.505 0.000 0.954 101 F HN 0.057 nan 8.300 nan 0.000 0.506 102 G N 0.564 109.343 108.800 -0.035 0.000 2.149 102 G HA2 -0.277 3.683 3.960 0.000 0.000 0.235 102 G HA3 -0.277 3.683 3.960 0.000 0.000 0.235 102 G C -0.419 174.586 174.900 0.176 0.000 1.018 102 G CA 0.172 45.309 45.100 0.061 0.000 0.728 102 G HN 0.593 nan 8.290 nan 0.000 0.508 103 Y N -2.889 117.405 120.300 -0.011 0.000 2.656 103 Y HA 0.774 5.324 4.550 0.000 0.000 0.334 103 Y C 0.320 176.222 175.900 0.003 0.000 1.179 103 Y CA -1.097 57.003 58.100 0.001 0.000 1.050 103 Y CB 0.536 39.005 38.460 0.014 0.000 1.308 103 Y HN 0.760 nan 8.280 nan 0.000 0.456 104 G N -0.226 108.633 108.800 0.098 0.000 3.140 104 G HA2 0.552 4.512 3.960 0.000 0.000 0.271 104 G HA3 0.552 4.512 3.960 0.000 0.000 0.271 104 G C 0.161 175.103 174.900 0.070 0.000 1.370 104 G CA -0.743 44.359 45.100 0.003 0.000 1.014 104 G HN 1.214 nan 8.290 nan 0.000 0.541 105 A N -0.380 122.438 122.820 -0.003 0.000 1.933 105 A HA -0.003 4.317 4.320 0.000 0.000 0.218 105 A C 2.140 179.710 177.584 -0.025 0.000 1.175 105 A CA 1.816 53.837 52.037 -0.028 0.000 0.628 105 A CB -0.368 18.570 19.000 -0.102 0.000 0.814 105 A HN 0.513 nan 8.150 nan 0.000 0.444 106 K N -0.285 120.104 120.400 -0.018 0.000 2.217 106 K HA -0.101 4.219 4.320 0.000 0.000 0.202 106 K C 1.088 177.691 176.600 0.005 0.000 1.051 106 K CA 1.201 57.475 56.287 -0.021 0.000 0.952 106 K CB -0.242 32.246 32.500 -0.020 0.000 0.736 106 K HN 0.452 nan 8.250 nan 0.000 0.453 107 D N 0.894 121.322 120.400 0.047 0.000 2.178 107 D HA -0.101 4.539 4.640 0.000 0.000 0.202 107 D C 2.041 178.364 176.300 0.037 0.000 0.974 107 D CA 0.752 54.788 54.000 0.060 0.000 0.841 107 D CB -0.074 40.807 40.800 0.134 0.000 0.953 107 D HN -0.077 nan 8.370 nan 0.000 0.478 108 V N 1.295 121.251 119.914 0.070 0.000 2.270 108 V HA -0.198 3.922 4.120 0.000 0.000 0.245 108 V C 2.469 178.552 176.094 -0.019 0.000 1.043 108 V CA 1.484 63.803 62.300 0.033 0.000 1.014 108 V CB -0.306 31.562 31.823 0.076 0.000 0.645 108 V HN 0.112 nan 8.190 nan 0.000 0.447 109 R N 0.385 120.866 120.500 -0.032 0.000 2.120 109 R HA -0.104 4.236 4.340 0.000 0.000 0.234 109 R C 1.848 178.126 176.300 -0.036 0.000 1.123 109 R CA 1.359 57.429 56.100 -0.050 0.000 0.975 109 R CB -0.371 29.884 30.300 -0.075 0.000 0.866 109 R HN 0.489 nan 8.270 nan 0.000 0.446 110 N N 0.727 119.411 118.700 -0.027 0.000 2.467 110 N HA 0.050 4.790 4.740 0.000 0.000 0.184 110 N C 0.308 175.803 175.510 -0.025 0.000 1.106 110 N CA 0.399 53.436 53.050 -0.022 0.000 0.892 110 N CB 0.278 38.756 38.487 -0.015 0.000 0.969 110 N HN 0.142 nan 8.380 nan 0.000 0.454 111 L N 0.492 121.696 121.223 -0.032 0.000 3.898 111 L HA -0.212 4.129 4.340 0.000 0.000 0.407 111 L C 0.156 177.002 176.870 -0.040 0.000 1.207 111 L CA -0.075 54.741 54.840 -0.040 0.000 0.931 111 L CB -2.750 39.288 42.059 -0.035 0.000 2.014 111 L HN 0.121 nan 8.230 nan 0.000 0.858 112 S N -0.544 115.131 115.700 -0.041 0.000 2.558 112 S HA 0.163 4.634 4.470 0.000 0.000 0.291 112 S C 1.526 176.089 174.600 -0.063 0.000 1.306 112 S CA 0.114 58.289 58.200 -0.041 0.000 1.056 112 S CB 1.661 64.844 63.200 -0.028 0.000 0.836 112 S HN 0.596 nan 8.310 nan 0.000 0.504 113 S N 2.946 118.618 115.700 -0.046 0.000 2.382 113 S HA -0.160 4.310 4.470 0.000 0.000 0.228 113 S C 1.763 176.325 174.600 -0.063 0.000 1.027 113 S CA 0.933 59.107 58.200 -0.044 0.000 0.991 113 S CB -0.495 62.688 63.200 -0.029 0.000 0.823 113 S HN 0.758 nan 8.310 nan 0.000 0.469 114 K N 1.733 122.088 120.400 -0.074 0.000 2.002 114 K HA 0.014 4.335 4.320 0.000 0.000 0.209 114 K C 2.414 178.858 176.600 -0.261 0.000 1.048 114 K CA 1.473 57.704 56.287 -0.093 0.000 0.930 114 K CB -0.955 31.523 32.500 -0.037 0.000 0.714 114 K HN 0.470 nan 8.250 nan 0.000 0.438 115 A N 0.789 123.340 122.820 -0.448 0.000 1.877 115 A HA -0.125 4.195 4.320 0.000 0.000 0.216 115 A C 2.431 179.754 177.584 -0.435 0.000 1.186 115 A CA 1.840 53.326 52.037 -0.919 0.000 0.620 115 A CB -0.782 17.840 19.000 -0.630 0.000 0.822 115 A HN 0.147 nan 8.150 nan 0.000 0.443 116 V N 0.807 120.602 119.914 -0.199 0.000 2.287 116 V HA -0.340 3.780 4.120 0.000 0.000 0.248 116 V C 2.211 178.347 176.094 0.069 0.000 1.053 116 V CA 2.396 64.665 62.300 -0.052 0.000 1.027 116 V CB -1.263 30.563 31.823 0.005 0.000 0.646 116 V HN 0.664 nan 8.190 nan 0.000 0.447 117 N N -0.983 117.733 118.700 0.027 0.000 2.069 117 N HA -0.255 4.486 4.740 0.000 0.000 0.191 117 N C 2.001 177.551 175.510 0.067 0.000 1.031 117 N CA 1.495 54.576 53.050 0.052 0.000 0.852 117 N CB -0.308 38.187 38.487 0.013 0.000 1.018 117 N HN 0.603 nan 8.380 nan 0.000 0.423 118 H N 1.132 120.153 119.070 -0.083 0.000 2.353 118 H HA -0.046 4.510 4.556 0.000 0.000 0.300 118 H C 2.137 177.454 175.328 -0.019 0.000 1.090 118 H CA 1.227 57.243 56.048 -0.054 0.000 1.327 118 H CB 0.005 29.752 29.762 -0.026 0.000 1.383 118 H HN 0.183 nan 8.280 nan 0.000 0.508 119 I N 0.532 121.037 120.570 -0.107 0.000 2.163 119 I HA -0.333 3.837 4.170 0.000 0.000 0.243 119 I C 2.653 178.693 176.117 -0.129 0.000 1.085 119 I CA 1.324 62.542 61.300 -0.138 0.000 1.347 119 I CB -0.483 37.432 38.000 -0.141 0.000 1.044 119 I HN 0.377 nan 8.210 nan 0.000 0.408 120 H N 0.089 119.118 119.070 -0.068 0.000 2.422 120 H HA -0.134 4.422 4.556 0.000 0.000 0.298 120 H C 2.596 177.935 175.328 0.018 0.000 1.098 120 H CA 1.895 57.936 56.048 -0.012 0.000 1.315 120 H CB -0.125 29.616 29.762 -0.035 0.000 1.382 120 H HN 0.437 nan 8.280 nan 0.000 0.523 121 S N 0.221 115.946 115.700 0.041 0.000 2.371 121 S HA -0.076 4.395 4.470 0.000 0.000 0.224 121 S C 2.372 176.911 174.600 -0.102 0.000 1.029 121 S CA 1.054 59.233 58.200 -0.036 0.000 0.978 121 S CB -0.759 62.394 63.200 -0.078 0.000 0.833 121 S HN 0.085 nan 8.310 nan 0.000 0.466 122 V N 1.125 120.911 119.914 -0.215 0.000 2.287 122 V HA -0.155 3.965 4.120 0.000 0.000 0.248 122 V C 2.261 178.337 176.094 -0.029 0.000 1.053 122 V CA 1.966 64.155 62.300 -0.184 0.000 1.027 122 V CB -1.160 30.519 31.823 -0.239 0.000 0.646 122 V HN 0.718 nan 8.190 nan 0.000 0.447 123 W N 1.362 122.576 121.300 -0.143 0.000 2.335 123 W HA -0.252 4.408 4.660 0.000 0.000 0.311 123 W C 2.552 179.031 176.519 -0.065 0.000 1.213 123 W CA 2.402 59.688 57.345 -0.097 0.000 1.274 123 W CB -0.163 29.236 29.460 -0.101 0.000 1.148 123 W HN 0.244 nan 8.180 nan 0.000 0.498 124 K N 0.577 121.027 120.400 0.084 0.000 2.057 124 K HA -0.270 4.050 4.320 0.000 0.000 0.207 124 K C 1.734 178.270 176.600 -0.107 0.000 1.049 124 K CA 2.257 58.538 56.287 -0.010 0.000 0.931 124 K CB -0.605 31.930 32.500 0.058 0.000 0.714 124 K HN 0.057 nan 8.250 nan 0.000 0.440 125 D N 0.192 120.530 120.400 -0.102 0.000 2.144 125 D HA -0.138 4.502 4.640 0.000 0.000 0.199 125 D C 1.989 178.192 176.300 -0.162 0.000 0.984 125 D CA 0.917 54.848 54.000 -0.115 0.000 0.834 125 D CB 0.082 40.819 40.800 -0.105 0.000 0.955 125 D HN 0.210 nan 8.370 nan 0.000 0.465 126 L N -0.051 121.033 121.223 -0.232 0.000 2.046 126 L HA -0.147 4.194 4.340 0.000 0.000 0.208 126 L C 2.478 179.157 176.870 -0.320 0.000 1.077 126 L CA 0.725 55.387 54.840 -0.296 0.000 0.747 126 L CB -0.401 41.415 42.059 -0.406 0.000 0.896 126 L HN 0.215 nan 8.230 nan 0.000 0.432 127 L N -0.729 120.264 121.223 -0.383 0.000 2.093 127 L HA -0.173 4.167 4.340 0.000 0.000 0.208 127 L C 2.287 179.055 176.870 -0.170 0.000 1.085 127 L CA 1.254 55.916 54.840 -0.296 0.000 0.755 127 L CB -0.426 41.462 42.059 -0.286 0.000 0.904 127 L HN 0.316 nan 8.230 nan 0.000 0.435 128 E N -1.139 118.976 120.200 -0.141 0.000 2.340 128 E HA -0.043 4.308 4.350 0.000 0.000 0.194 128 E C 0.150 176.701 176.600 -0.081 0.000 0.996 128 E CA 0.148 56.493 56.400 -0.091 0.000 0.869 128 E CB 0.365 30.023 29.700 -0.069 0.000 0.835 128 E HN 0.202 nan 8.360 nan 0.000 0.493 129 D N 0.423 120.765 120.400 -0.096 0.000 2.620 129 D HA 0.048 4.688 4.640 0.000 0.000 0.252 129 D C -0.128 176.118 176.300 -0.089 0.000 1.207 129 D CA -0.339 53.614 54.000 -0.078 0.000 0.884 129 D CB 1.502 42.261 40.800 -0.068 0.000 1.262 129 D HN -0.061 nan 8.370 nan 0.000 0.552 130 T N 0.474 114.984 114.554 -0.073 0.000 3.215 130 T HA 0.231 4.581 4.350 0.000 0.000 0.271 130 T C 1.180 175.847 174.700 -0.053 0.000 1.012 130 T CA 0.351 62.407 62.100 -0.072 0.000 0.899 130 T CB -0.207 68.622 68.868 -0.065 0.000 1.089 130 T HN 0.214 nan 8.240 nan 0.000 0.552 131 V N -2.952 116.934 119.914 -0.046 0.000 3.251 131 V HA 0.375 4.496 4.120 0.000 0.000 0.239 131 V C 0.610 176.692 176.094 -0.020 0.000 1.332 131 V CA -0.014 62.269 62.300 -0.029 0.000 1.224 131 V CB -0.260 31.548 31.823 -0.024 0.000 1.004 131 V HN 0.282 nan 8.190 nan 0.000 0.464 132 T N 4.644 119.184 114.554 -0.024 0.000 2.799 132 T HA 0.379 4.729 4.350 0.000 0.000 0.296 132 T C -2.514 172.182 174.700 -0.007 0.000 0.947 132 T CA -0.375 61.719 62.100 -0.010 0.000 1.141 132 T CB 0.766 69.626 68.868 -0.012 0.000 0.891 132 T HN 0.366 nan 8.240 nan 0.000 0.533 133 P HA 0.127 nan 4.420 nan 0.000 0.264 133 P C -0.222 177.080 177.300 0.003 0.000 1.183 133 P CA -0.037 63.077 63.100 0.023 0.000 0.763 133 P CB 0.335 32.092 31.700 0.096 0.000 0.807 134 I N 2.307 122.862 120.570 -0.025 0.000 2.396 134 I HA 0.147 4.317 4.170 0.000 0.000 0.292 134 I C 0.962 177.069 176.117 -0.016 0.000 0.999 134 I CA -0.428 60.861 61.300 -0.018 0.000 1.310 134 I CB 0.736 38.711 38.000 -0.041 0.000 1.404 134 I HN 0.312 nan 8.210 nan 0.000 0.496 135 D N 4.045 124.451 120.400 0.011 0.000 2.399 135 D HA 0.208 4.848 4.640 0.000 0.000 0.241 135 D C -0.424 175.849 176.300 -0.045 0.000 1.133 135 D CA 0.251 54.246 54.000 -0.008 0.000 0.890 135 D CB 0.836 41.646 40.800 0.017 0.000 1.201 135 D HN 0.614 nan 8.370 nan 0.000 0.432 136 T N -0.911 113.589 114.554 -0.090 0.000 2.906 136 T HA 0.556 4.907 4.350 0.000 0.000 0.295 136 T C -0.392 174.163 174.700 -0.242 0.000 1.061 136 T CA -0.990 61.013 62.100 -0.161 0.000 1.000 136 T CB 1.429 70.228 68.868 -0.116 0.000 1.103 136 T HN 0.200 nan 8.240 nan 0.000 0.486 137 T N 2.690 116.941 114.554 -0.505 0.000 2.806 137 T HA 0.514 4.864 4.350 0.000 0.000 0.290 137 T C -0.118 174.345 174.700 -0.396 0.000 0.966 137 T CA -0.556 61.218 62.100 -0.543 0.000 1.060 137 T CB 0.466 68.792 68.868 -0.903 0.000 0.927 137 T HN 0.702 nan 8.240 nan 0.000 0.485 138 I N 4.445 124.944 120.570 -0.118 0.000 2.354 138 I HA 0.487 4.657 4.170 0.000 0.000 0.292 138 I C -0.838 175.327 176.117 0.079 0.000 0.989 138 I CA -0.717 60.603 61.300 0.035 0.000 1.188 138 I CB 0.570 38.635 38.000 0.109 0.000 1.342 138 I HN 0.404 nan 8.210 nan 0.000 0.457 139 M N 6.330 126.026 119.600 0.160 0.000 2.572 139 M HA 0.491 4.971 4.480 0.000 0.000 0.299 139 M C -0.610 175.760 176.300 0.117 0.000 1.205 139 M CA -0.623 54.770 55.300 0.155 0.000 0.876 139 M CB 1.855 34.603 32.600 0.247 0.000 1.728 139 M HN 0.586 nan 8.290 nan 0.000 0.458 140 A N 2.180 125.047 122.820 0.078 0.000 2.320 140 A HA 0.444 4.764 4.320 0.000 0.000 0.287 140 A C -0.010 177.613 177.584 0.065 0.000 1.181 140 A CA -0.460 51.614 52.037 0.061 0.000 0.831 140 A CB 0.217 19.240 19.000 0.038 0.000 1.102 140 A HN 0.745 nan 8.150 nan 0.000 0.513 141 K N 2.355 122.796 120.400 0.067 0.000 2.401 141 K HA 0.051 4.371 4.320 0.000 0.000 0.278 141 K C -0.514 176.101 176.600 0.024 0.000 1.018 141 K CA -0.057 56.257 56.287 0.045 0.000 0.981 141 K CB 0.350 32.884 32.500 0.056 0.000 0.933 141 K HN 0.661 nan 8.250 nan 0.000 0.477 142 N N 4.217 122.905 118.700 -0.020 0.000 2.521 142 N HA 0.099 4.839 4.740 0.000 0.000 0.236 142 N C -0.824 174.575 175.510 -0.185 0.000 1.067 142 N CA 0.047 53.050 53.050 -0.078 0.000 0.939 142 N CB 0.901 39.342 38.487 -0.077 0.000 1.201 142 N HN 0.481 nan 8.380 nan 0.000 0.511 143 E N 0.400 120.478 120.200 -0.204 0.000 2.256 143 E HA 0.448 4.798 4.350 0.000 0.000 0.267 143 E C -0.640 175.554 176.600 -0.676 0.000 0.892 143 E CA -0.942 55.213 56.400 -0.408 0.000 0.775 143 E CB 2.507 32.030 29.700 -0.295 0.000 1.207 143 E HN 0.054 nan 8.360 nan 0.000 0.420 144 V N 3.172 122.527 119.914 -0.932 0.000 2.439 144 V HA 0.465 4.585 4.120 0.000 0.000 0.282 144 V C -0.780 174.646 176.094 -1.113 0.000 1.039 144 V CA -0.238 61.526 62.300 -0.893 0.000 0.913 144 V CB 0.096 31.511 31.823 -0.680 0.000 0.983 144 V HN 0.506 nan 8.190 nan 0.000 0.460 145 F N 2.168 121.750 119.950 -0.612 0.000 2.664 145 F HA 0.553 5.080 4.527 0.000 0.000 0.317 145 F C 0.079 175.675 175.800 -0.341 0.000 1.108 145 F CA -0.737 56.979 58.000 -0.473 0.000 0.957 145 F CB 1.296 40.012 39.000 -0.473 0.000 1.365 145 F HN 0.504 nan 8.300 nan 0.000 0.475 146 C N 2.074 121.473 119.300 0.165 0.000 2.401 146 C HA 0.720 5.180 4.460 0.000 0.000 0.365 146 C C 0.085 175.301 174.990 0.376 0.000 1.250 146 C CA -0.529 58.628 59.018 0.231 0.000 2.131 146 C CB 0.030 27.860 27.740 0.150 0.000 2.445 146 C HN 0.544 nan 8.230 nan 0.000 0.550 147 V N 7.087 127.250 119.914 0.415 0.000 2.644 147 V HA 0.042 4.162 4.120 0.000 0.000 0.305 147 V C 0.514 176.701 176.094 0.156 0.000 1.053 147 V CA 1.000 63.465 62.300 0.276 0.000 1.186 147 V CB 0.281 32.193 31.823 0.148 0.000 0.895 147 V HN 0.864 nan 8.190 nan 0.000 0.490 148 Q N 6.299 126.161 119.800 0.103 0.000 2.560 148 Q HA 0.234 4.574 4.340 0.000 0.000 0.238 148 Q C -1.806 174.206 176.000 0.020 0.000 1.079 148 Q CA -1.731 54.103 55.803 0.051 0.000 0.866 148 Q CB 1.465 30.223 28.738 0.033 0.000 1.153 148 Q HN 0.539 nan 8.270 nan 0.000 0.530 149 P HA -0.274 nan 4.420 nan 0.000 0.212 149 P C 0.334 177.630 177.300 -0.006 0.000 1.174 149 P CA 1.710 64.811 63.100 0.003 0.000 0.934 149 P CB 0.295 31.998 31.700 0.006 0.000 0.791 150 E N -1.609 118.589 120.200 -0.004 0.000 2.444 150 E HA 0.074 4.424 4.350 0.000 0.000 0.191 150 E C 0.910 177.504 176.600 -0.010 0.000 1.041 150 E CA 0.221 56.616 56.400 -0.008 0.000 0.883 150 E CB -0.420 29.277 29.700 -0.006 0.000 1.024 150 E HN 0.136 nan 8.360 nan 0.000 0.470 151 K N 0.297 120.691 120.400 -0.010 0.000 2.399 151 K HA 0.290 4.610 4.320 0.000 0.000 0.204 151 K C 0.730 177.318 176.600 -0.022 0.000 1.023 151 K CA 0.486 56.764 56.287 -0.014 0.000 1.127 151 K CB 1.263 33.756 32.500 -0.011 0.000 0.856 151 K HN 0.340 nan 8.250 nan 0.000 0.514 152 G N -0.241 108.545 108.800 -0.024 0.000 2.905 152 G HA2 -0.170 3.790 3.960 0.000 0.000 0.196 152 G HA3 -0.170 3.790 3.960 0.000 0.000 0.196 152 G C 0.654 175.528 174.900 -0.044 0.000 1.044 152 G CA 0.075 45.155 45.100 -0.033 0.000 0.778 152 G HN 0.502 nan 8.290 nan 0.000 0.474 153 G N 0.455 109.230 108.800 -0.041 0.000 3.299 153 G HA2 -0.098 3.862 3.960 0.000 0.000 0.251 153 G HA3 -0.098 3.862 3.960 0.000 0.000 0.251 153 G C 0.033 174.868 174.900 -0.108 0.000 1.741 153 G CA 0.494 45.555 45.100 -0.065 0.000 1.151 153 G HN 0.957 nan 8.290 nan 0.000 0.561 154 R N 1.162 121.541 120.500 -0.201 0.000 2.460 154 R HA 0.580 4.920 4.340 0.000 0.000 0.303 154 R C -0.369 175.858 176.300 -0.122 0.000 0.968 154 R CA -0.666 55.225 56.100 -0.349 0.000 0.889 154 R CB 1.519 31.442 30.300 -0.629 0.000 1.123 154 R HN 0.375 nan 8.270 nan 0.000 0.455 155 K N 3.122 123.529 120.400 0.011 0.000 2.218 155 K HA 0.236 4.556 4.320 0.000 0.000 0.276 155 K C -2.226 174.399 176.600 0.041 0.000 1.022 155 K CA -1.523 54.743 56.287 -0.034 0.000 0.946 155 K CB 0.542 32.904 32.500 -0.230 0.000 1.000 155 K HN 0.264 nan 8.250 nan 0.000 0.468 156 P HA 0.046 nan 4.420 nan 0.000 0.274 156 P C -1.004 176.338 177.300 0.070 0.000 1.231 156 P CA -0.499 62.622 63.100 0.036 0.000 0.790 156 P CB 0.692 32.397 31.700 0.008 0.000 0.951 157 A N 3.107 125.976 122.820 0.082 0.000 2.540 157 A HA 0.050 4.370 4.320 0.000 0.000 0.239 157 A C 0.548 178.181 177.584 0.082 0.000 1.061 157 A CA 0.078 52.175 52.037 0.099 0.000 0.758 157 A CB -0.362 18.683 19.000 0.074 0.000 0.991 157 A HN 0.449 nan 8.150 nan 0.000 0.502 158 R N 0.733 121.298 120.500 0.109 0.000 2.641 158 R HA 0.375 4.715 4.340 0.000 0.000 0.269 158 R C -0.697 175.660 176.300 0.095 0.000 1.074 158 R CA -0.118 56.047 56.100 0.107 0.000 1.133 158 R CB 0.362 30.741 30.300 0.131 0.000 1.029 158 R HN 0.669 nan 8.270 nan 0.000 0.488 159 L N 3.348 124.633 121.223 0.103 0.000 2.295 159 L HA 0.463 4.804 4.340 0.000 0.000 0.285 159 L C -0.249 176.713 176.870 0.154 0.000 1.035 159 L CA -0.799 54.106 54.840 0.109 0.000 0.806 159 L CB 1.361 43.469 42.059 0.083 0.000 1.214 159 L HN 0.473 nan 8.230 nan 0.000 0.426 160 I N 3.430 124.106 120.570 0.178 0.000 2.404 160 I HA 0.494 4.665 4.170 0.000 0.000 0.293 160 I C -0.803 175.506 176.117 0.319 0.000 0.992 160 I CA -0.283 61.157 61.300 0.234 0.000 1.149 160 I CB 1.733 39.850 38.000 0.196 0.000 1.315 160 I HN 0.227 nan 8.210 nan 0.000 0.446 161 V N 8.746 128.849 119.914 0.316 0.000 2.483 161 V HA 0.568 4.689 4.120 0.000 0.000 0.297 161 V C -0.851 175.433 176.094 0.316 0.000 1.027 161 V CA -0.466 61.981 62.300 0.245 0.000 0.855 161 V CB 1.088 33.020 31.823 0.180 0.000 0.995 161 V HN 0.601 nan 8.190 nan 0.000 0.424 162 F N 5.037 125.031 119.950 0.073 0.000 2.601 162 F HA 0.950 5.478 4.527 0.000 0.000 0.309 162 F C -3.060 172.777 175.800 0.062 0.000 1.089 162 F CA -2.797 55.244 58.000 0.069 0.000 0.940 162 F CB 1.667 40.700 39.000 0.054 0.000 1.273 162 F HN 0.293 nan 8.300 nan 0.000 0.450 163 P HA 0.200 nan 4.420 nan 0.000 0.282 163 P C -1.043 176.350 177.300 0.155 0.000 1.287 163 P CA -0.184 62.963 63.100 0.078 0.000 0.792 163 P CB 1.122 32.882 31.700 0.100 0.000 1.163 164 D N -0.951 119.532 120.400 0.138 0.000 2.400 164 D HA -0.046 4.594 4.640 0.000 0.000 0.238 164 D C 1.368 177.786 176.300 0.197 0.000 1.157 164 D CA -0.287 53.825 54.000 0.186 0.000 0.889 164 D CB 0.271 41.246 40.800 0.293 0.000 1.199 164 D HN 0.096 nan 8.370 nan 0.000 0.436 165 L N 3.382 124.699 121.223 0.157 0.000 2.051 165 L HA -0.054 4.286 4.340 0.000 0.000 0.214 165 L C 2.062 179.055 176.870 0.205 0.000 1.076 165 L CA 2.630 57.548 54.840 0.129 0.000 0.758 165 L CB -1.106 40.966 42.059 0.021 0.000 0.890 165 L HN 0.674 nan 8.230 nan 0.000 0.433 166 G N -1.459 107.531 108.800 0.316 0.000 2.422 166 G HA2 -0.195 3.765 3.960 0.000 0.000 0.218 166 G HA3 -0.195 3.765 3.960 0.000 0.000 0.218 166 G C 1.535 176.534 174.900 0.164 0.000 1.146 166 G CA 1.011 46.316 45.100 0.342 0.000 0.769 166 G HN 0.364 nan 8.290 nan 0.000 0.547 167 V N 0.653 120.659 119.914 0.153 0.000 2.427 167 V HA -0.134 3.986 4.120 0.000 0.000 0.248 167 V C 2.913 179.078 176.094 0.119 0.000 1.051 167 V CA 1.779 64.143 62.300 0.106 0.000 1.048 167 V CB -0.413 31.462 31.823 0.088 0.000 0.666 167 V HN 0.335 nan 8.190 nan 0.000 0.456 168 R N -0.324 120.254 120.500 0.131 0.000 2.096 168 R HA -0.105 4.235 4.340 0.000 0.000 0.235 168 R C 2.207 178.558 176.300 0.085 0.000 1.127 168 R CA 1.353 57.523 56.100 0.116 0.000 0.968 168 R CB -0.556 29.806 30.300 0.104 0.000 0.861 168 R HN 0.424 nan 8.270 nan 0.000 0.440 169 V N 0.424 120.382 119.914 0.073 0.000 2.358 169 V HA -0.281 3.839 4.120 0.000 0.000 0.246 169 V C 2.496 178.607 176.094 0.029 0.000 1.047 169 V CA 1.506 63.820 62.300 0.023 0.000 1.035 169 V CB -0.475 31.357 31.823 0.015 0.000 0.658 169 V HN 0.436 nan 8.190 nan 0.000 0.452 170 C N -0.098 119.261 119.300 0.098 0.000 2.429 170 C HA -0.144 4.316 4.460 0.000 0.000 0.277 170 C C 2.691 177.844 174.990 0.271 0.000 1.262 170 C CA 0.897 60.055 59.018 0.233 0.000 1.733 170 C CB -0.985 26.945 27.740 0.317 0.000 2.010 170 C HN 0.615 nan 8.230 nan 0.000 0.483 171 E N 0.840 121.154 120.200 0.191 0.000 2.070 171 E HA -0.246 4.104 4.350 0.000 0.000 0.197 171 E C 2.158 178.869 176.600 0.184 0.000 1.004 171 E CA 1.317 57.840 56.400 0.204 0.000 0.805 171 E CB -0.172 29.656 29.700 0.212 0.000 0.744 171 E HN 0.640 nan 8.360 nan 0.000 0.451 172 K N 0.331 120.806 120.400 0.126 0.000 2.032 172 K HA -0.157 4.163 4.320 0.000 0.000 0.209 172 K C 2.233 178.881 176.600 0.081 0.000 1.048 172 K CA 1.618 57.963 56.287 0.097 0.000 0.927 172 K CB -0.181 32.298 32.500 -0.034 0.000 0.712 172 K HN 0.114 nan 8.250 nan 0.000 0.441 173 M N 0.358 119.962 119.600 0.007 0.000 2.082 173 M HA -0.221 4.259 4.480 0.000 0.000 0.258 173 M C 2.467 178.806 176.300 0.066 0.000 1.069 173 M CA 1.937 57.176 55.300 -0.102 0.000 1.102 173 M CB -0.423 31.901 32.600 -0.459 0.000 1.336 173 M HN 0.259 nan 8.290 nan 0.000 0.404 174 A N -0.555 122.424 122.820 0.265 0.000 1.897 174 A HA 0.014 4.334 4.320 0.000 0.000 0.215 174 A C 1.868 179.546 177.584 0.157 0.000 1.181 174 A CA 1.303 53.530 52.037 0.316 0.000 0.620 174 A CB -0.245 18.955 19.000 0.333 0.000 0.821 174 A HN 0.505 nan 8.150 nan 0.000 0.443 175 L N -3.155 118.146 121.223 0.131 0.000 3.217 175 L HA 0.203 4.543 4.340 0.000 0.000 0.288 175 L C 1.743 178.645 176.870 0.053 0.000 1.202 175 L CA -0.020 54.840 54.840 0.033 0.000 1.027 175 L CB 0.175 42.222 42.059 -0.020 0.000 1.427 175 L HN 0.455 nan 8.230 nan 0.000 0.600 176 Y N 1.411 121.722 120.300 0.018 0.000 2.128 176 Y HA -0.326 4.224 4.550 0.000 0.000 0.284 176 Y C 2.208 178.139 175.900 0.052 0.000 1.154 176 Y CA 2.330 60.457 58.100 0.045 0.000 1.149 176 Y CB 0.121 38.595 38.460 0.022 0.000 0.976 176 Y HN 0.246 nan 8.280 nan 0.000 0.505 177 D N -0.685 119.750 120.400 0.059 0.000 2.117 177 D HA -0.176 4.464 4.640 0.000 0.000 0.197 177 D C 2.235 178.475 176.300 -0.100 0.000 0.987 177 D CA 1.583 55.567 54.000 -0.027 0.000 0.829 177 D CB -0.296 40.535 40.800 0.051 0.000 0.961 177 D HN 0.248 nan 8.370 nan 0.000 0.460 178 V N 0.538 120.399 119.914 -0.090 0.000 2.255 178 V HA -0.256 3.864 4.120 0.000 0.000 0.247 178 V C 2.699 178.686 176.094 -0.179 0.000 1.051 178 V CA 1.980 64.202 62.300 -0.129 0.000 1.018 178 V CB -0.778 30.935 31.823 -0.183 0.000 0.641 178 V HN 0.367 nan 8.190 nan 0.000 0.445 179 V N -2.599 117.187 119.914 -0.213 0.000 2.970 179 V HA -0.077 4.043 4.120 0.000 0.000 0.260 179 V C 2.047 177.989 176.094 -0.254 0.000 1.100 179 V CA 1.995 64.163 62.300 -0.219 0.000 1.122 179 V CB -0.322 31.394 31.823 -0.179 0.000 0.721 179 V HN 0.460 nan 8.190 nan 0.000 0.483 180 S N 0.221 115.763 115.700 -0.263 0.000 2.425 180 S HA -0.017 4.453 4.470 0.000 0.000 0.225 180 S C 1.901 176.406 174.600 -0.159 0.000 1.024 180 S CA 1.564 59.631 58.200 -0.221 0.000 0.951 180 S CB -0.008 63.019 63.200 -0.287 0.000 0.796 180 S HN 0.742 nan 8.310 nan 0.000 0.498 181 T N 1.502 115.958 114.554 -0.163 0.000 3.026 181 T HA 0.294 4.644 4.350 0.000 0.000 0.245 181 T C 1.652 176.248 174.700 -0.172 0.000 1.004 181 T CA -0.066 61.955 62.100 -0.132 0.000 1.069 181 T CB -0.046 68.770 68.868 -0.087 0.000 1.005 181 T HN 0.215 nan 8.240 nan 0.000 0.472 182 L N 1.926 123.041 121.223 -0.180 0.000 2.056 182 L HA 0.061 4.401 4.340 0.000 0.000 0.207 182 L C -1.076 175.627 176.870 -0.278 0.000 1.078 182 L CA 1.236 55.975 54.840 -0.168 0.000 0.749 182 L CB -0.809 41.202 42.059 -0.080 0.000 0.901 182 L HN 0.108 nan 8.230 nan 0.000 0.433 183 P HA -0.226 nan 4.420 nan 0.000 0.215 183 P C 1.385 178.257 177.300 -0.713 0.000 1.157 183 P CA 1.298 63.959 63.100 -0.730 0.000 0.868 183 P CB -0.174 30.703 31.700 -1.371 0.000 0.788 184 Q N 0.087 119.511 119.800 -0.626 0.000 2.124 184 Q HA -0.111 4.229 4.340 0.000 0.000 0.202 184 Q C 1.975 177.848 176.000 -0.212 0.000 0.977 184 Q CA 1.516 57.142 55.803 -0.295 0.000 0.850 184 Q CB -0.746 27.912 28.738 -0.133 0.000 0.901 184 Q HN 0.067 nan 8.270 nan 0.000 0.429 185 V N 0.179 119.974 119.914 -0.198 0.000 2.343 185 V HA -0.228 3.892 4.120 0.000 0.000 0.247 185 V C 2.531 178.530 176.094 -0.158 0.000 1.051 185 V CA 1.571 63.786 62.300 -0.142 0.000 1.036 185 V CB -0.576 31.180 31.823 -0.112 0.000 0.654 185 V HN 0.142 nan 8.190 nan 0.000 0.451 186 V N -0.981 118.803 119.914 -0.216 0.000 2.453 186 V HA -0.157 3.964 4.120 0.000 0.000 0.247 186 V C 2.031 177.930 176.094 -0.325 0.000 1.048 186 V CA 2.102 64.260 62.300 -0.236 0.000 1.049 186 V CB -0.355 31.314 31.823 -0.257 0.000 0.672 186 V HN 0.473 nan 8.190 nan 0.000 0.457 187 M N -1.577 117.784 119.600 -0.399 0.000 2.331 187 M HA 0.373 4.853 4.480 0.000 0.000 0.266 187 M C 1.416 177.592 176.300 -0.207 0.000 1.055 187 M CA 0.740 55.736 55.300 -0.507 0.000 1.048 187 M CB 0.698 32.908 32.600 -0.650 0.000 1.460 187 M HN 0.449 nan 8.290 nan 0.000 0.519 188 G N 1.617 110.322 108.800 -0.158 0.000 2.596 188 G HA2 -0.389 3.571 3.960 0.000 0.000 0.295 188 G HA3 -0.389 3.571 3.960 0.000 0.000 0.295 188 G C 0.773 175.604 174.900 -0.114 0.000 1.240 188 G CA 0.786 45.830 45.100 -0.094 0.000 0.985 188 G HN 0.537 nan 8.290 nan 0.000 0.555 189 S N -0.568 115.070 115.700 -0.102 0.000 2.500 189 S HA 0.051 4.521 4.470 0.000 0.000 0.239 189 S C 2.172 176.524 174.600 -0.413 0.000 0.989 189 S CA 1.981 60.026 58.200 -0.259 0.000 0.951 189 S CB -0.116 62.983 63.200 -0.168 0.000 0.759 189 S HN 1.028 nan 8.310 nan 0.000 0.523 190 S N 0.099 115.732 115.700 -0.112 0.000 2.461 190 S HA 0.120 4.590 4.470 0.000 0.000 0.228 190 S C 0.302 174.884 174.600 -0.031 0.000 1.005 190 S CA -0.153 58.064 58.200 0.028 0.000 0.942 190 S CB -0.417 62.929 63.200 0.243 0.000 0.776 190 S HN 0.694 nan 8.310 nan 0.000 0.514 191 Y N 3.420 123.556 120.300 -0.274 0.000 2.697 191 Y HA 0.387 4.937 4.550 0.000 0.000 0.349 191 Y C 1.311 176.942 175.900 -0.448 0.000 1.120 191 Y CA -1.252 56.651 58.100 -0.327 0.000 1.468 191 Y CB -0.109 38.165 38.460 -0.310 0.000 1.182 191 Y HN 0.078 nan 8.280 nan 0.000 0.525 192 G N 4.590 112.916 108.800 -0.790 0.000 2.422 192 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 192 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 192 G C 1.078 175.441 174.900 -0.896 0.000 1.140 192 G CA 0.276 44.938 45.100 -0.729 0.000 0.775 192 G HN 0.635 nan 8.290 nan 0.000 0.545 193 F N 1.364 120.582 119.950 -1.221 0.000 2.699 193 F HA 0.047 4.574 4.527 0.000 0.000 0.298 193 F C 2.817 178.344 175.800 -0.455 0.000 1.154 193 F CA 0.680 58.054 58.000 -1.043 0.000 1.457 193 F CB -0.152 38.214 39.000 -1.056 0.000 1.106 193 F HN 0.386 nan 8.300 nan 0.000 0.585 194 Q N -0.694 118.852 119.800 -0.424 0.000 2.435 194 Q HA -0.109 4.232 4.340 0.000 0.000 0.207 194 Q C -0.525 175.416 176.000 -0.098 0.000 0.956 194 Q CA 0.861 56.549 55.803 -0.191 0.000 0.917 194 Q CB -0.325 28.225 28.738 -0.313 0.000 0.997 194 Q HN 0.269 nan 8.270 nan 0.000 0.497 195 Y N 1.948 122.261 120.300 0.022 0.000 2.342 195 Y HA 0.290 4.840 4.550 0.000 0.000 0.334 195 Y C 0.640 176.361 175.900 -0.299 0.000 1.067 195 Y CA -1.474 56.583 58.100 -0.070 0.000 1.128 195 Y CB 1.444 39.828 38.460 -0.126 0.000 1.200 195 Y HN 0.111 nan 8.280 nan 0.000 0.464 196 S N 2.792 118.302 115.700 -0.317 0.000 2.587 196 S HA 0.131 4.601 4.470 0.000 0.000 0.260 196 S C -1.937 172.388 174.600 -0.458 0.000 1.353 196 S CA -0.896 56.766 58.200 -0.897 0.000 0.995 196 S CB 0.861 63.818 63.200 -0.406 0.000 0.912 196 S HN 0.455 nan 8.310 nan 0.000 0.568 197 P HA 0.030 nan 4.420 nan 0.000 0.218 197 P C 1.617 178.854 177.300 -0.105 0.000 1.148 197 P CA 1.598 64.577 63.100 -0.201 0.000 0.822 197 P CB -0.483 31.143 31.700 -0.124 0.000 0.784 198 G N -0.369 108.365 108.800 -0.110 0.000 2.403 198 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 198 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 198 G C 1.508 176.362 174.900 -0.077 0.000 1.154 198 G CA 0.377 45.453 45.100 -0.040 0.000 0.784 198 G HN 0.287 nan 8.290 nan 0.000 0.538 199 Q N -0.382 119.355 119.800 -0.105 0.000 2.119 199 Q HA -0.007 4.333 4.340 0.000 0.000 0.201 199 Q C 2.570 178.337 176.000 -0.389 0.000 0.972 199 Q CA 0.878 56.590 55.803 -0.151 0.000 0.847 199 Q CB -0.134 28.611 28.738 0.011 0.000 0.903 199 Q HN 0.428 nan 8.270 nan 0.000 0.433 200 R N 0.488 120.811 120.500 -0.295 0.000 2.073 200 R HA -0.143 4.197 4.340 0.000 0.000 0.234 200 R C 2.143 178.327 176.300 -0.194 0.000 1.134 200 R CA 1.334 57.258 56.100 -0.294 0.000 0.952 200 R CB -0.235 30.017 30.300 -0.081 0.000 0.850 200 R HN 0.104 nan 8.270 nan 0.000 0.433 201 V N 1.480 121.314 119.914 -0.133 0.000 2.252 201 V HA -0.285 3.835 4.120 0.000 0.000 0.249 201 V C 2.387 178.390 176.094 -0.152 0.000 1.056 201 V CA 2.368 64.597 62.300 -0.119 0.000 1.022 201 V CB -0.637 31.158 31.823 -0.046 0.000 0.641 201 V HN 0.516 nan 8.190 nan 0.000 0.445 202 E N -0.662 119.463 120.200 -0.126 0.000 2.085 202 E HA -0.281 4.069 4.350 0.000 0.000 0.194 202 E C 2.079 178.609 176.600 -0.115 0.000 0.994 202 E CA 1.758 58.094 56.400 -0.106 0.000 0.801 202 E CB -0.206 29.453 29.700 -0.068 0.000 0.743 202 E HN 0.578 nan 8.360 nan 0.000 0.453 203 F N 0.930 120.680 119.950 -0.334 0.000 2.146 203 F HA -0.080 4.448 4.527 0.000 0.000 0.298 203 F C 1.832 177.514 175.800 -0.195 0.000 1.096 203 F CA 1.100 58.915 58.000 -0.307 0.000 1.275 203 F CB -0.199 38.469 39.000 -0.554 0.000 1.008 203 F HN -0.008 nan 8.300 nan 0.000 0.480 204 L N -0.633 120.427 121.223 -0.271 0.000 2.012 204 L HA -0.251 4.090 4.340 0.000 0.000 0.210 204 L C 2.387 179.089 176.870 -0.280 0.000 1.073 204 L CA 1.302 55.963 54.840 -0.297 0.000 0.748 204 L CB -0.956 40.979 42.059 -0.207 0.000 0.891 204 L HN 0.004 nan 8.230 nan 0.000 0.431 205 V N -0.066 119.671 119.914 -0.294 0.000 2.307 205 V HA -0.252 3.868 4.120 0.000 0.000 0.245 205 V C 2.203 178.198 176.094 -0.165 0.000 1.045 205 V CA 1.872 63.988 62.300 -0.306 0.000 1.024 205 V CB -0.696 30.843 31.823 -0.472 0.000 0.651 205 V HN 0.478 nan 8.190 nan 0.000 0.449 206 N N 0.144 118.740 118.700 -0.173 0.000 2.166 206 N HA -0.132 4.608 4.740 0.000 0.000 0.186 206 N C 1.884 177.295 175.510 -0.164 0.000 1.019 206 N CA 1.885 54.858 53.050 -0.127 0.000 0.856 206 N CB -0.644 37.791 38.487 -0.087 0.000 0.993 206 N HN 0.473 nan 8.380 nan 0.000 0.426 207 T N 0.469 114.839 114.554 -0.308 0.000 2.777 207 T HA -0.134 4.216 4.350 0.000 0.000 0.266 207 T C 1.492 176.102 174.700 -0.150 0.000 1.040 207 T CA 0.587 62.492 62.100 -0.325 0.000 1.141 207 T CB -0.235 68.268 68.868 -0.608 0.000 0.868 207 T HN 0.418 nan 8.240 nan 0.000 0.444 208 W N 2.461 123.595 121.300 -0.276 0.000 2.335 208 W HA -0.120 4.540 4.660 0.000 0.000 0.311 208 W C 1.804 178.236 176.519 -0.144 0.000 1.213 208 W CA 1.274 58.499 57.345 -0.200 0.000 1.274 208 W CB -0.169 29.164 29.460 -0.212 0.000 1.148 208 W HN 0.245 nan 8.180 nan 0.000 0.498 209 K N 0.179 120.598 120.400 0.032 0.000 2.288 209 K HA -0.117 4.204 4.320 0.000 0.000 0.201 209 K C 2.041 178.591 176.600 -0.083 0.000 1.048 209 K CA 1.551 57.827 56.287 -0.018 0.000 0.956 209 K CB -0.334 32.175 32.500 0.015 0.000 0.746 209 K HN 0.093 nan 8.250 nan 0.000 0.461 210 S N 0.610 116.247 115.700 -0.104 0.000 2.561 210 S HA 0.016 4.487 4.470 0.000 0.000 0.225 210 S C 0.540 175.069 174.600 -0.119 0.000 0.977 210 S CA 0.198 58.341 58.200 -0.095 0.000 0.926 210 S CB 0.043 63.190 63.200 -0.088 0.000 0.769 210 S HN -0.012 nan 8.310 nan 0.000 0.533 211 K N 1.680 121.971 120.400 -0.182 0.000 2.110 211 K HA 0.396 4.716 4.320 0.000 0.000 0.263 211 K C 0.504 176.997 176.600 -0.180 0.000 0.975 211 K CA -0.485 55.683 56.287 -0.199 0.000 0.895 211 K CB 1.180 33.503 32.500 -0.295 0.000 1.060 211 K HN 0.101 nan 8.250 nan 0.000 0.448 212 K N 1.257 121.576 120.400 -0.134 0.000 1.973 212 K HA -0.141 4.179 4.320 0.000 0.000 0.212 212 K C 0.054 176.579 176.600 -0.124 0.000 1.047 212 K CA 1.554 57.779 56.287 -0.103 0.000 0.937 212 K CB -0.094 32.361 32.500 -0.074 0.000 0.721 212 K HN 0.493 nan 8.250 nan 0.000 0.440 213 N N 1.577 120.195 118.700 -0.136 0.000 2.626 213 N HA 0.196 4.936 4.740 0.000 0.000 0.249 213 N C -2.826 172.548 175.510 -0.227 0.000 1.021 213 N CA -1.506 51.458 53.050 -0.142 0.000 0.886 213 N CB 1.513 39.954 38.487 -0.076 0.000 1.149 213 N HN 0.026 nan 8.380 nan 0.000 0.517 214 P HA 0.051 nan 4.420 nan 0.000 0.271 214 P C -0.779 176.177 177.300 -0.574 0.000 1.216 214 P CA -0.144 62.473 63.100 -0.805 0.000 0.771 214 P CB 0.955 31.520 31.700 -1.891 0.000 0.864 215 M N 2.378 121.728 119.600 -0.417 0.000 2.457 215 M HA 0.667 5.147 4.480 0.000 0.000 0.300 215 M C -1.073 175.150 176.300 -0.128 0.000 1.141 215 M CA -0.357 54.796 55.300 -0.246 0.000 0.901 215 M CB 2.578 35.111 32.600 -0.113 0.000 1.687 215 M HN 0.560 nan 8.290 nan 0.000 0.449 216 G N 3.409 112.233 108.800 0.040 0.000 2.660 216 G HA2 0.838 4.798 3.960 0.000 0.000 0.294 216 G HA3 0.838 4.798 3.960 0.000 0.000 0.294 216 G C -2.019 172.962 174.900 0.135 0.000 1.369 216 G CA -0.622 44.540 45.100 0.103 0.000 0.912 216 G HN 0.814 nan 8.290 nan 0.000 0.479 217 F N -0.513 119.396 119.950 -0.068 0.000 2.665 217 F HA 0.759 5.286 4.527 0.000 0.000 0.308 217 F C -0.234 175.551 175.800 -0.024 0.000 1.112 217 F CA -1.442 56.520 58.000 -0.065 0.000 0.972 217 F CB 1.247 40.191 39.000 -0.092 0.000 1.295 217 F HN 0.626 nan 8.300 nan 0.000 0.440 218 S N 1.287 117.060 115.700 0.123 0.000 2.585 218 S HA 0.562 5.032 4.470 0.000 0.000 0.277 218 S C -1.416 173.376 174.600 0.320 0.000 1.241 218 S CA -0.550 57.709 58.200 0.098 0.000 1.041 218 S CB 1.442 64.678 63.200 0.061 0.000 0.987 218 S HN 0.840 nan 8.310 nan 0.000 0.512 219 Y N 1.559 121.971 120.300 0.186 0.000 2.345 219 Y HA 0.394 4.944 4.550 0.000 0.000 0.331 219 Y C -0.797 175.228 175.900 0.208 0.000 0.959 219 Y CA -0.859 57.418 58.100 0.294 0.000 1.204 219 Y CB 1.102 39.845 38.460 0.472 0.000 1.135 219 Y HN 0.851 nan 8.280 nan 0.000 0.477 220 D N 4.565 124.831 120.400 -0.223 0.000 2.380 220 D HA 0.184 4.824 4.640 0.000 0.000 0.230 220 D C -0.613 175.553 176.300 -0.223 0.000 1.154 220 D CA -0.045 53.880 54.000 -0.125 0.000 0.859 220 D CB 0.857 41.612 40.800 -0.076 0.000 1.045 220 D HN 0.451 nan 8.370 nan 0.000 0.495 221 T N 3.786 118.384 114.554 0.074 0.000 2.851 221 T HA 0.105 4.455 4.350 0.000 0.000 0.298 221 T C 0.486 175.282 174.700 0.160 0.000 0.977 221 T CA -0.436 61.790 62.100 0.210 0.000 1.126 221 T CB 0.668 69.866 68.868 0.549 0.000 0.916 221 T HN 0.325 nan 8.240 nan 0.000 0.529 222 R N 2.209 122.764 120.500 0.092 0.000 2.351 222 R HA 0.149 4.489 4.340 0.000 0.000 0.318 222 R C -0.198 176.203 176.300 0.170 0.000 1.055 222 R CA -0.323 55.822 56.100 0.076 0.000 0.968 222 R CB -0.557 29.731 30.300 -0.021 0.000 0.974 222 R HN 0.936 nan 8.270 nan 0.000 0.439 223 C N 5.608 125.035 119.300 0.213 0.000 3.349 223 C HA -0.169 4.291 4.460 0.000 0.000 0.275 223 C C 1.340 176.543 174.990 0.355 0.000 1.322 223 C CA 0.238 59.432 59.018 0.294 0.000 2.261 223 C CB -2.982 24.972 27.740 0.356 0.000 1.446 223 C HN 1.039 nan 8.230 nan 0.000 0.533 224 F N 1.606 121.675 119.950 0.197 0.000 2.120 224 F HA -0.208 4.319 4.527 0.000 0.000 0.300 224 F C 1.948 177.858 175.800 0.184 0.000 1.095 224 F CA 2.353 60.469 58.000 0.193 0.000 1.249 224 F CB 0.031 39.134 39.000 0.171 0.000 0.995 224 F HN 0.464 nan 8.300 nan 0.000 0.480 225 D N -0.335 120.319 120.400 0.423 0.000 2.123 225 D HA -0.173 4.467 4.640 0.000 0.000 0.196 225 D C 2.465 178.844 176.300 0.132 0.000 0.992 225 D CA 1.658 55.831 54.000 0.288 0.000 0.833 225 D CB -0.502 40.463 40.800 0.274 0.000 0.954 225 D HN 0.235 nan 8.370 nan 0.000 0.455 226 S N -0.603 115.197 115.700 0.166 0.000 2.423 226 S HA -0.116 4.354 4.470 0.000 0.000 0.231 226 S C 2.041 176.613 174.600 -0.047 0.000 1.014 226 S CA 1.486 59.699 58.200 0.022 0.000 0.965 226 S CB -0.265 62.995 63.200 0.100 0.000 0.785 226 S HN 0.543 nan 8.310 nan 0.000 0.495 227 T N -0.432 114.174 114.554 0.088 0.000 3.067 227 T HA 0.116 4.466 4.350 0.000 0.000 0.261 227 T C 0.648 175.281 174.700 -0.112 0.000 1.110 227 T CA 0.053 62.189 62.100 0.060 0.000 1.113 227 T CB -0.455 68.423 68.868 0.017 0.000 0.917 227 T HN 0.040 nan 8.240 nan 0.000 0.499 228 V N 4.209 124.018 119.914 -0.174 0.000 2.450 228 V HA 0.253 4.374 4.120 0.000 0.000 0.281 228 V C 1.214 177.252 176.094 -0.092 0.000 1.019 228 V CA 0.000 62.217 62.300 -0.139 0.000 1.062 228 V CB -0.413 31.372 31.823 -0.063 0.000 0.979 228 V HN 0.737 nan 8.190 nan 0.000 0.477 229 T N 0.934 115.445 114.554 -0.071 0.000 2.862 229 T HA 0.307 4.657 4.350 0.000 0.000 0.276 229 T C 1.131 175.807 174.700 -0.041 0.000 0.974 229 T CA -0.034 62.029 62.100 -0.062 0.000 0.966 229 T CB 1.412 70.249 68.868 -0.051 0.000 1.072 229 T HN 0.714 nan 8.240 nan 0.000 0.538 230 E N 0.802 120.979 120.200 -0.038 0.000 2.085 230 E HA -0.318 4.032 4.350 0.000 0.000 0.194 230 E C 1.915 178.511 176.600 -0.006 0.000 0.994 230 E CA 1.928 58.318 56.400 -0.016 0.000 0.801 230 E CB -0.389 29.301 29.700 -0.016 0.000 0.743 230 E HN 0.795 nan 8.360 nan 0.000 0.453 231 N N 0.419 119.110 118.700 -0.015 0.000 2.069 231 N HA -0.219 4.521 4.740 0.000 0.000 0.191 231 N C 1.493 177.011 175.510 0.013 0.000 1.031 231 N CA 2.113 55.159 53.050 -0.007 0.000 0.852 231 N CB -0.147 38.322 38.487 -0.029 0.000 1.018 231 N HN 0.176 nan 8.380 nan 0.000 0.423 232 D N 0.140 120.546 120.400 0.010 0.000 2.104 232 D HA -0.145 4.496 4.640 0.000 0.000 0.194 232 D C 1.970 178.279 176.300 0.015 0.000 0.994 232 D CA 1.160 55.179 54.000 0.031 0.000 0.830 232 D CB -0.295 40.515 40.800 0.016 0.000 0.959 232 D HN 0.482 nan 8.370 nan 0.000 0.452 233 I N 0.495 121.074 120.570 0.014 0.000 2.353 233 I HA -0.165 4.006 4.170 0.000 0.000 0.248 233 I C 2.479 178.605 176.117 0.015 0.000 1.119 233 I CA 0.799 62.115 61.300 0.026 0.000 1.417 233 I CB -0.068 37.967 38.000 0.059 0.000 1.078 233 I HN -0.117 nan 8.210 nan 0.000 0.421 234 R N 0.094 120.601 120.500 0.012 0.000 2.090 234 R HA -0.065 4.276 4.340 0.000 0.000 0.228 234 R C 2.343 178.625 176.300 -0.029 0.000 1.110 234 R CA 0.973 57.075 56.100 0.004 0.000 0.973 234 R CB -0.377 29.928 30.300 0.009 0.000 0.869 234 R HN 0.205 nan 8.270 nan 0.000 0.440 235 V N 1.450 121.349 119.914 -0.026 0.000 2.343 235 V HA -0.237 3.883 4.120 0.000 0.000 0.247 235 V C 1.935 177.940 176.094 -0.148 0.000 1.051 235 V CA 1.808 64.080 62.300 -0.046 0.000 1.036 235 V CB -0.381 31.456 31.823 0.023 0.000 0.654 235 V HN 0.332 nan 8.190 nan 0.000 0.451 236 E N -0.313 119.770 120.200 -0.195 0.000 2.058 236 E HA -0.277 4.074 4.350 0.000 0.000 0.194 236 E C 2.347 178.479 176.600 -0.779 0.000 0.997 236 E CA 1.546 57.673 56.400 -0.455 0.000 0.801 236 E CB -0.179 29.309 29.700 -0.354 0.000 0.746 236 E HN 0.606 nan 8.360 nan 0.000 0.450 237 E N 0.424 120.397 120.200 -0.377 0.000 2.077 237 E HA -0.203 4.147 4.350 0.000 0.000 0.193 237 E C 2.147 178.674 176.600 -0.121 0.000 0.989 237 E CA 1.510 57.814 56.400 -0.160 0.000 0.800 237 E CB 0.009 29.743 29.700 0.057 0.000 0.746 237 E HN 0.248 nan 8.360 nan 0.000 0.452 238 S N 0.375 116.004 115.700 -0.118 0.000 2.399 238 S HA -0.158 4.312 4.470 0.000 0.000 0.231 238 S C 2.065 176.612 174.600 -0.089 0.000 1.022 238 S CA 1.075 59.232 58.200 -0.071 0.000 0.983 238 S CB -0.589 62.578 63.200 -0.055 0.000 0.803 238 S HN 0.285 nan 8.310 nan 0.000 0.480 239 I N 0.174 120.635 120.570 -0.181 0.000 2.163 239 I HA -0.139 4.031 4.170 0.000 0.000 0.240 239 I C 2.416 178.510 176.117 -0.037 0.000 1.081 239 I CA 1.388 62.596 61.300 -0.154 0.000 1.353 239 I CB -0.659 37.206 38.000 -0.226 0.000 1.054 239 I HN 0.197 nan 8.210 nan 0.000 0.407 240 Y N 1.278 121.568 120.300 -0.017 0.000 2.151 240 Y HA -0.253 4.297 4.550 0.000 0.000 0.284 240 Y C 2.701 178.601 175.900 -0.001 0.000 1.166 240 Y CA 0.806 58.901 58.100 -0.008 0.000 1.163 240 Y CB -1.176 37.293 38.460 0.015 0.000 0.974 240 Y HN 0.259 nan 8.280 nan 0.000 0.511 241 Q N -1.184 118.707 119.800 0.152 0.000 2.364 241 Q HA -0.126 4.215 4.340 0.000 0.000 0.207 241 Q C 2.350 178.380 176.000 0.050 0.000 0.970 241 Q CA 1.015 56.870 55.803 0.087 0.000 0.888 241 Q CB -0.852 27.922 28.738 0.059 0.000 0.951 241 Q HN 0.531 nan 8.270 nan 0.000 0.469 242 C N 0.231 119.552 119.300 0.035 0.000 2.432 242 C HA -0.045 4.415 4.460 0.000 0.000 0.280 242 C C 1.613 176.616 174.990 0.021 0.000 1.353 242 C CA -0.692 58.336 59.018 0.016 0.000 1.766 242 C CB -0.734 27.005 27.740 -0.002 0.000 1.924 242 C HN 0.414 nan 8.230 nan 0.000 0.509 243 C N 1.880 121.202 119.300 0.037 0.000 2.727 243 C HA 0.117 4.578 4.460 0.000 0.000 0.401 243 C C 0.567 175.572 174.990 0.026 0.000 1.294 243 C CA -0.238 58.797 59.018 0.029 0.000 2.134 243 C CB -0.291 27.471 27.740 0.037 0.000 2.724 243 C HN 0.500 nan 8.230 nan 0.000 0.677 244 D N 1.660 122.071 120.400 0.018 0.000 2.338 244 D HA 0.450 5.091 4.640 0.000 0.000 0.255 244 D C -0.648 175.667 176.300 0.025 0.000 1.237 244 D CA 0.383 54.394 54.000 0.019 0.000 0.883 244 D CB 0.052 40.859 40.800 0.012 0.000 1.087 244 D HN 0.395 nan 8.370 nan 0.000 0.485 245 L N 2.086 123.328 121.223 0.031 0.000 2.371 245 L HA 0.610 4.950 4.340 0.000 0.000 0.262 245 L C 0.264 177.160 176.870 0.043 0.000 1.006 245 L CA -1.456 53.408 54.840 0.041 0.000 0.818 245 L CB 1.901 43.990 42.059 0.050 0.000 1.354 245 L HN 0.343 nan 8.230 nan 0.000 0.415 246 A N 2.200 125.052 122.820 0.053 0.000 2.511 246 A HA 0.283 4.604 4.320 0.000 0.000 0.242 246 A C -1.796 175.825 177.584 0.062 0.000 1.069 246 A CA -0.728 51.344 52.037 0.059 0.000 0.763 246 A CB -0.174 18.871 19.000 0.076 0.000 1.001 246 A HN 0.625 nan 8.150 nan 0.000 0.498 247 P HA -0.189 nan 4.420 nan 0.000 0.217 247 P C 1.296 178.623 177.300 0.044 0.000 1.148 247 P CA 1.627 64.751 63.100 0.040 0.000 0.828 247 P CB 0.225 31.944 31.700 0.031 0.000 0.783 248 E N -0.369 119.877 120.200 0.077 0.000 2.110 248 E HA -0.180 4.170 4.350 0.000 0.000 0.193 248 E C 1.905 178.574 176.600 0.116 0.000 0.988 248 E CA 1.125 57.588 56.400 0.106 0.000 0.804 248 E CB -0.452 29.376 29.700 0.213 0.000 0.745 248 E HN 0.089 nan 8.360 nan 0.000 0.458 249 A N 1.394 124.306 122.820 0.154 0.000 1.898 249 A HA -0.159 4.161 4.320 0.000 0.000 0.216 249 A C 2.124 179.749 177.584 0.068 0.000 1.181 249 A CA 1.284 53.412 52.037 0.152 0.000 0.620 249 A CB -0.430 18.657 19.000 0.144 0.000 0.819 249 A HN 0.180 nan 8.150 nan 0.000 0.442 250 R N -0.908 119.622 120.500 0.050 0.000 2.103 250 R HA -0.238 4.102 4.340 0.000 0.000 0.242 250 R C 2.453 178.752 176.300 -0.001 0.000 1.142 250 R CA 1.887 58.007 56.100 0.033 0.000 0.960 250 R CB -0.353 29.964 30.300 0.028 0.000 0.858 250 R HN 0.656 nan 8.270 nan 0.000 0.439 251 Q N 0.593 120.371 119.800 -0.037 0.000 2.083 251 Q HA -0.033 4.307 4.340 0.000 0.000 0.198 251 Q C 1.986 177.891 176.000 -0.159 0.000 0.969 251 Q CA 1.806 57.555 55.803 -0.090 0.000 0.838 251 Q CB -0.187 28.487 28.738 -0.107 0.000 0.900 251 Q HN 0.339 nan 8.270 nan 0.000 0.436 252 A N 0.126 122.806 122.820 -0.233 0.000 1.933 252 A HA -0.121 4.199 4.320 0.000 0.000 0.218 252 A C 2.091 179.582 177.584 -0.154 0.000 1.175 252 A CA 1.408 53.236 52.037 -0.349 0.000 0.628 252 A CB -0.666 17.982 19.000 -0.586 0.000 0.814 252 A HN 0.486 nan 8.150 nan 0.000 0.444 253 I N -0.711 119.836 120.570 -0.038 0.000 2.286 253 I HA -0.219 3.951 4.170 0.000 0.000 0.245 253 I C 2.504 178.654 176.117 0.055 0.000 1.104 253 I CA 1.663 62.997 61.300 0.056 0.000 1.397 253 I CB -0.209 37.858 38.000 0.112 0.000 1.072 253 I HN 0.396 nan 8.210 nan 0.000 0.417 254 K N 0.639 121.047 120.400 0.014 0.000 2.032 254 K HA -0.229 4.091 4.320 0.000 0.000 0.209 254 K C 2.358 178.933 176.600 -0.042 0.000 1.048 254 K CA 2.002 58.291 56.287 0.003 0.000 0.927 254 K CB -0.163 32.328 32.500 -0.015 0.000 0.712 254 K HN 0.097 nan 8.250 nan 0.000 0.441 255 S N 0.595 116.238 115.700 -0.096 0.000 2.348 255 S HA -0.105 4.366 4.470 0.000 0.000 0.221 255 S C 1.977 176.473 174.600 -0.173 0.000 1.033 255 S CA 1.313 59.432 58.200 -0.135 0.000 1.010 255 S CB -0.320 62.770 63.200 -0.184 0.000 0.891 255 S HN 0.367 nan 8.310 nan 0.000 0.442 256 L N 0.706 121.792 121.223 -0.229 0.000 2.042 256 L HA -0.126 4.214 4.340 0.000 0.000 0.210 256 L C 2.778 179.324 176.870 -0.541 0.000 1.076 256 L CA 1.630 56.200 54.840 -0.451 0.000 0.749 256 L CB -1.060 40.676 42.059 -0.538 0.000 0.893 256 L HN 0.345 nan 8.230 nan 0.000 0.432 257 T N -0.929 113.521 114.554 -0.174 0.000 2.708 257 T HA -0.166 4.184 4.350 0.000 0.000 0.266 257 T C 1.793 176.496 174.700 0.005 0.000 1.037 257 T CA 1.296 63.437 62.100 0.067 0.000 1.146 257 T CB -0.104 68.873 68.868 0.182 0.000 0.865 257 T HN 0.331 nan 8.240 nan 0.000 0.435 258 E N 0.918 121.099 120.200 -0.032 0.000 2.107 258 E HA -0.014 4.337 4.350 0.000 0.000 0.191 258 E C 2.355 178.932 176.600 -0.038 0.000 0.982 258 E CA 0.847 57.234 56.400 -0.023 0.000 0.809 258 E CB -0.082 29.602 29.700 -0.027 0.000 0.756 258 E HN 0.461 nan 8.360 nan 0.000 0.459 259 R N -0.485 119.964 120.500 -0.085 0.000 2.237 259 R HA 0.112 4.452 4.340 0.000 0.000 0.195 259 R C 1.787 178.027 176.300 -0.100 0.000 0.956 259 R CA 0.251 56.302 56.100 -0.081 0.000 1.029 259 R CB 0.321 30.562 30.300 -0.098 0.000 0.972 259 R HN 0.034 nan 8.270 nan 0.000 0.493 260 L N -2.253 118.874 121.223 -0.160 0.000 2.691 260 L HA 0.197 4.537 4.340 0.000 0.000 0.185 260 L C 1.213 178.076 176.870 -0.010 0.000 1.081 260 L CA 0.739 55.489 54.840 -0.150 0.000 0.865 260 L CB -0.193 41.696 42.059 -0.283 0.000 1.370 260 L HN -0.138 nan 8.230 nan 0.000 0.488 261 Y N 0.429 120.738 120.300 0.015 0.000 2.242 261 Y HA 0.004 4.554 4.550 0.000 0.000 0.291 261 Y C 2.523 178.424 175.900 0.003 0.000 1.137 261 Y CA 1.326 59.444 58.100 0.029 0.000 1.181 261 Y CB -0.811 37.691 38.460 0.070 0.000 0.989 261 Y HN 0.129 nan 8.280 nan 0.000 0.527 262 I N -0.986 119.666 120.570 0.137 0.000 2.493 262 I HA -0.012 4.158 4.170 0.000 0.000 0.254 262 I C 1.205 177.317 176.117 -0.007 0.000 1.160 262 I CA 1.211 62.546 61.300 0.057 0.000 1.445 262 I CB -0.337 37.689 38.000 0.044 0.000 1.086 262 I HN 0.282 nan 8.210 nan 0.000 0.433 263 G N -0.887 107.887 108.800 -0.044 0.000 2.324 263 G HA2 0.475 4.436 3.960 0.000 0.000 0.293 263 G HA3 0.475 4.436 3.960 0.000 0.000 0.293 263 G C -0.971 173.756 174.900 -0.288 0.000 1.297 263 G CA -0.182 44.808 45.100 -0.183 0.000 0.853 263 G HN 0.412 nan 8.290 nan 0.000 0.535 264 G N -0.971 107.378 108.800 -0.752 0.000 2.336 264 G HA2 0.667 4.627 3.960 0.000 0.000 0.300 264 G HA3 0.667 4.627 3.960 0.000 0.000 0.300 264 G C -3.484 170.880 174.900 -0.894 0.000 1.375 264 G CA 0.126 44.806 45.100 -0.701 0.000 0.885 264 G HN 0.812 nan 8.290 nan 0.000 0.599 265 P HA 0.482 nan 4.420 nan 0.000 0.275 265 P C -0.551 176.691 177.300 -0.096 0.000 1.228 265 P CA -0.196 62.850 63.100 -0.090 0.000 0.786 265 P CB 1.171 32.929 31.700 0.096 0.000 0.927 266 L N 2.246 123.454 121.223 -0.025 0.000 2.305 266 L HA 0.435 4.775 4.340 0.000 0.000 0.284 266 L C 0.386 177.278 176.870 0.038 0.000 1.013 266 L CA -0.197 54.648 54.840 0.009 0.000 0.819 266 L CB 1.583 43.693 42.059 0.085 0.000 1.227 266 L HN 0.260 nan 8.230 nan 0.000 0.417 267 T N 1.604 116.153 114.554 -0.007 0.000 2.792 267 T HA 0.309 4.659 4.350 0.000 0.000 0.280 267 T C -0.091 174.597 174.700 -0.019 0.000 0.990 267 T CA -0.838 61.257 62.100 -0.009 0.000 0.960 267 T CB 1.313 70.159 68.868 -0.037 0.000 0.939 267 T HN 0.629 nan 8.240 nan 0.000 0.439 268 N N 1.134 119.839 118.700 0.008 0.000 2.327 268 N HA 0.063 4.803 4.740 0.000 0.000 0.257 268 N C 1.475 176.979 175.510 -0.010 0.000 1.281 268 N CA -0.136 52.918 53.050 0.007 0.000 0.942 268 N CB 0.190 38.689 38.487 0.020 0.000 1.199 268 N HN 0.461 nan 8.380 nan 0.000 0.532 269 S N -0.827 114.876 115.700 0.005 0.000 2.442 269 S HA -0.120 4.350 4.470 0.000 0.000 0.236 269 S C 0.980 175.578 174.600 -0.004 0.000 1.007 269 S CA 0.750 58.955 58.200 0.007 0.000 0.965 269 S CB -0.431 62.787 63.200 0.029 0.000 0.773 269 S HN 0.665 nan 8.310 nan 0.000 0.504 270 K N 0.662 121.061 120.400 -0.002 0.000 2.404 270 K HA 0.301 4.621 4.320 0.000 0.000 0.194 270 K C 1.243 177.837 176.600 -0.011 0.000 1.023 270 K CA 0.383 56.668 56.287 -0.005 0.000 1.094 270 K CB 0.010 32.511 32.500 0.002 0.000 0.841 270 K HN 0.542 nan 8.250 nan 0.000 0.523 271 G N 1.720 110.511 108.800 -0.016 0.000 2.157 271 G HA2 -0.270 3.690 3.960 0.000 0.000 0.239 271 G HA3 -0.270 3.690 3.960 0.000 0.000 0.239 271 G C -0.232 174.666 174.900 -0.004 0.000 0.982 271 G CA -0.244 44.844 45.100 -0.020 0.000 0.650 271 G HN 0.339 nan 8.290 nan 0.000 0.527 272 Q N 0.267 120.071 119.800 0.007 0.000 2.259 272 Q HA 0.316 4.656 4.340 0.000 0.000 0.246 272 Q C 0.437 176.458 176.000 0.035 0.000 0.920 272 Q CA -0.529 55.287 55.803 0.021 0.000 0.895 272 Q CB 0.934 29.687 28.738 0.025 0.000 1.220 272 Q HN 0.400 nan 8.270 nan 0.000 0.439 273 N N 1.505 120.232 118.700 0.046 0.000 2.452 273 N HA -0.025 4.715 4.740 0.000 0.000 0.266 273 N C -0.253 175.317 175.510 0.100 0.000 1.209 273 N CA -0.320 52.771 53.050 0.068 0.000 0.929 273 N CB 0.526 39.053 38.487 0.067 0.000 1.063 273 N HN 0.600 nan 8.380 nan 0.000 0.472 274 C N 2.950 122.332 119.300 0.136 0.000 2.735 274 C HA 0.399 4.859 4.460 0.000 0.000 0.271 274 C C 1.211 176.396 174.990 0.326 0.000 1.281 274 C CA 0.546 59.701 59.018 0.229 0.000 1.719 274 C CB -1.094 26.803 27.740 0.262 0.000 2.024 274 C HN 0.988 nan 8.230 nan 0.000 0.566 275 G N -0.984 107.934 108.800 0.197 0.000 2.247 275 G HA2 0.167 4.127 3.960 0.000 0.000 0.229 275 G HA3 0.167 4.127 3.960 0.000 0.000 0.229 275 G C -1.871 173.084 174.900 0.092 0.000 1.345 275 G CA -0.403 44.770 45.100 0.123 0.000 1.100 275 G HN 0.079 nan 8.290 nan 0.000 0.473 276 Y N 0.741 120.924 120.300 -0.195 0.000 2.470 276 Y HA 0.747 5.298 4.550 0.000 0.000 0.341 276 Y C 0.012 175.773 175.900 -0.232 0.000 1.021 276 Y CA -0.789 57.213 58.100 -0.162 0.000 1.025 276 Y CB 1.918 40.297 38.460 -0.135 0.000 1.266 276 Y HN 0.744 nan 8.280 nan 0.000 0.448 277 R N 4.605 124.796 120.500 -0.516 0.000 2.407 277 R HA 0.552 4.892 4.340 0.000 0.000 0.303 277 R C -0.645 175.398 176.300 -0.429 0.000 0.981 277 R CA -0.526 55.275 56.100 -0.499 0.000 0.905 277 R CB 0.904 30.995 30.300 -0.349 0.000 1.099 277 R HN 0.924 nan 8.270 nan 0.000 0.459 278 R N 3.078 123.329 120.500 -0.414 0.000 2.659 278 R HA 0.210 4.550 4.340 0.000 0.000 0.418 278 R C -0.647 175.498 176.300 -0.258 0.000 1.076 278 R CA -0.286 55.677 56.100 -0.228 0.000 1.093 278 R CB 0.465 30.685 30.300 -0.134 0.000 1.400 278 R HN 0.791 nan 8.270 nan 0.000 0.583 279 C N -1.996 117.107 119.300 -0.328 0.000 3.336 279 C HA 0.609 5.069 4.460 0.000 0.000 0.352 279 C C -0.306 174.609 174.990 -0.126 0.000 1.567 279 C CA -1.554 57.319 59.018 -0.243 0.000 1.328 279 C CB 1.245 28.777 27.740 -0.347 0.000 1.922 279 C HN 0.333 nan 8.230 nan 0.000 0.439 280 R N 1.242 121.722 120.500 -0.034 0.000 2.502 280 R HA 0.459 4.799 4.340 0.000 0.000 0.292 280 R C 0.149 176.498 176.300 0.082 0.000 0.998 280 R CA 0.970 57.102 56.100 0.054 0.000 1.056 280 R CB -0.153 30.221 30.300 0.123 0.000 0.939 280 R HN 1.199 nan 8.270 nan 0.000 0.411 281 A N 3.675 126.556 122.820 0.102 0.000 2.409 281 A HA 0.210 4.530 4.320 0.000 0.000 0.262 281 A C 1.050 178.729 177.584 0.160 0.000 1.113 281 A CA 0.123 52.245 52.037 0.142 0.000 0.790 281 A CB 0.405 19.496 19.000 0.150 0.000 1.046 281 A HN 1.020 nan 8.150 nan 0.000 0.496 282 S N 2.110 117.920 115.700 0.183 0.000 2.481 282 S HA 0.051 4.521 4.470 0.000 0.000 0.231 282 S C 1.105 175.797 174.600 0.154 0.000 0.996 282 S CA 0.820 59.121 58.200 0.169 0.000 0.942 282 S CB 0.017 63.323 63.200 0.177 0.000 0.768 282 S HN 1.257 nan 8.310 nan 0.000 0.520 283 G N 1.884 110.799 108.800 0.191 0.000 4.291 283 G HA2 0.520 4.480 3.960 0.000 0.000 0.304 283 G HA3 0.520 4.480 3.960 0.000 0.000 0.304 283 G C -0.137 174.887 174.900 0.206 0.000 1.264 283 G CA -0.057 45.160 45.100 0.195 0.000 1.039 283 G HN 0.603 nan 8.290 nan 0.000 0.578 284 V N -2.459 117.558 119.914 0.172 0.000 3.046 284 V HA 0.601 4.721 4.120 0.000 0.000 0.316 284 V C 1.340 177.507 176.094 0.122 0.000 1.104 284 V CA -0.948 61.469 62.300 0.194 0.000 1.006 284 V CB 1.761 33.764 31.823 0.299 0.000 1.058 284 V HN 0.068 nan 8.190 nan 0.000 0.440 285 L N 2.382 123.691 121.223 0.143 0.000 2.083 285 L HA -0.028 4.313 4.340 0.000 0.000 0.209 285 L C 2.298 179.179 176.870 0.019 0.000 1.083 285 L CA 3.042 57.950 54.840 0.112 0.000 0.752 285 L CB -0.683 41.471 42.059 0.158 0.000 0.899 285 L HN 1.086 nan 8.230 nan 0.000 0.433 286 T N -5.818 108.659 114.554 -0.127 0.000 3.129 286 T HA -0.001 4.349 4.350 0.000 0.000 0.251 286 T C 1.576 176.213 174.700 -0.105 0.000 1.117 286 T CA 0.733 62.711 62.100 -0.202 0.000 1.034 286 T CB -0.711 67.865 68.868 -0.487 0.000 0.968 286 T HN 0.263 nan 8.240 nan 0.000 0.526 287 T N 1.961 116.487 114.554 -0.047 0.000 2.684 287 T HA -0.154 4.196 4.350 0.000 0.000 0.267 287 T C 2.210 176.935 174.700 0.042 0.000 1.036 287 T CA 1.778 63.891 62.100 0.021 0.000 1.148 287 T CB -0.595 68.309 68.868 0.061 0.000 0.863 287 T HN 0.551 nan 8.240 nan 0.000 0.436 288 S N -0.298 115.407 115.700 0.008 0.000 2.345 288 S HA -0.142 4.329 4.470 0.000 0.000 0.220 288 S C 2.453 177.095 174.600 0.069 0.000 1.031 288 S CA 1.384 59.591 58.200 0.012 0.000 0.996 288 S CB -0.956 62.154 63.200 -0.151 0.000 0.882 288 S HN 0.666 nan 8.310 nan 0.000 0.445 289 C N 1.327 120.636 119.300 0.016 0.000 2.432 289 C HA 0.078 4.539 4.460 0.000 0.000 0.277 289 C C 2.837 177.882 174.990 0.091 0.000 1.249 289 C CA 1.159 60.200 59.018 0.040 0.000 1.725 289 C CB -1.810 25.920 27.740 -0.015 0.000 2.028 289 C HN 0.728 nan 8.230 nan 0.000 0.477 290 G N 0.384 109.244 108.800 0.101 0.000 2.418 290 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 290 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 290 G C 1.516 176.506 174.900 0.150 0.000 1.158 290 G CA 1.078 46.245 45.100 0.112 0.000 0.771 290 G HN 0.589 nan 8.290 nan 0.000 0.545 291 N N 0.443 119.241 118.700 0.164 0.000 2.120 291 N HA -0.077 4.663 4.740 0.000 0.000 0.188 291 N C 2.435 178.006 175.510 0.102 0.000 1.024 291 N CA 1.624 54.791 53.050 0.195 0.000 0.852 291 N CB -0.787 37.721 38.487 0.035 0.000 1.003 291 N HN 0.245 nan 8.380 nan 0.000 0.424 292 T N 1.829 116.441 114.554 0.096 0.000 2.684 292 T HA -0.047 4.303 4.350 0.000 0.000 0.267 292 T C 2.133 176.909 174.700 0.127 0.000 1.036 292 T CA 0.807 62.972 62.100 0.109 0.000 1.148 292 T CB -0.362 68.628 68.868 0.203 0.000 0.863 292 T HN 0.132 nan 8.240 nan 0.000 0.436 293 L N 0.626 121.903 121.223 0.090 0.000 2.017 293 L HA -0.127 4.213 4.340 0.000 0.000 0.208 293 L C 2.983 179.938 176.870 0.141 0.000 1.073 293 L CA 1.326 56.205 54.840 0.065 0.000 0.745 293 L CB -1.122 40.931 42.059 -0.010 0.000 0.894 293 L HN 0.294 nan 8.230 nan 0.000 0.432 294 T N -1.277 113.384 114.554 0.178 0.000 2.708 294 T HA -0.249 4.101 4.350 0.000 0.000 0.266 294 T C 2.027 176.919 174.700 0.320 0.000 1.037 294 T CA 1.517 63.757 62.100 0.232 0.000 1.146 294 T CB -0.539 68.495 68.868 0.276 0.000 0.865 294 T HN 0.452 nan 8.240 nan 0.000 0.435 295 C N 0.645 120.194 119.300 0.414 0.000 2.432 295 C HA -0.101 4.359 4.460 0.000 0.000 0.277 295 C C 2.417 177.558 174.990 0.252 0.000 1.249 295 C CA 0.597 59.842 59.018 0.379 0.000 1.725 295 C CB -1.407 26.439 27.740 0.177 0.000 2.028 295 C HN 0.660 nan 8.230 nan 0.000 0.477 296 Y N 0.829 121.185 120.300 0.093 0.000 2.224 296 Y HA -0.096 4.454 4.550 0.000 0.000 0.289 296 Y C 2.130 178.044 175.900 0.023 0.000 1.146 296 Y CA 1.956 60.087 58.100 0.053 0.000 1.182 296 Y CB -0.434 38.040 38.460 0.024 0.000 0.983 296 Y HN 0.347 nan 8.280 nan 0.000 0.524 297 L N 1.088 122.403 121.223 0.153 0.000 2.005 297 L HA -0.153 4.187 4.340 0.000 0.000 0.207 297 L C 2.094 178.889 176.870 -0.125 0.000 1.072 297 L CA 1.959 56.776 54.840 -0.039 0.000 0.744 297 L CB -0.991 41.011 42.059 -0.095 0.000 0.895 297 L HN 0.118 nan 8.230 nan 0.000 0.433 298 K N -0.348 120.042 120.400 -0.017 0.000 2.057 298 K HA -0.109 4.211 4.320 0.000 0.000 0.207 298 K C 2.063 178.679 176.600 0.026 0.000 1.049 298 K CA 1.451 57.744 56.287 0.011 0.000 0.931 298 K CB -0.417 32.173 32.500 0.150 0.000 0.714 298 K HN 0.513 nan 8.250 nan 0.000 0.440 299 A N 1.023 123.844 122.820 0.001 0.000 1.897 299 A HA -0.115 4.206 4.320 0.000 0.000 0.215 299 A C 2.233 179.838 177.584 0.036 0.000 1.181 299 A CA 1.626 53.685 52.037 0.037 0.000 0.620 299 A CB -0.512 18.588 19.000 0.166 0.000 0.821 299 A HN 0.162 nan 8.150 nan 0.000 0.443 300 S N 0.198 115.798 115.700 -0.166 0.000 2.359 300 S HA -0.142 4.328 4.470 0.000 0.000 0.224 300 S C 2.311 176.855 174.600 -0.093 0.000 1.035 300 S CA 1.451 59.513 58.200 -0.230 0.000 1.018 300 S CB -0.547 62.350 63.200 -0.505 0.000 0.876 300 S HN 0.808 nan 8.310 nan 0.000 0.448 301 A N 1.452 124.233 122.820 -0.065 0.000 1.902 301 A HA 0.141 4.461 4.320 0.000 0.000 0.217 301 A C 2.358 180.011 177.584 0.114 0.000 1.181 301 A CA 1.679 53.742 52.037 0.044 0.000 0.623 301 A CB -1.061 17.962 19.000 0.037 0.000 0.818 301 A HN 0.525 nan 8.150 nan 0.000 0.443 302 A N -1.059 121.828 122.820 0.110 0.000 1.933 302 A HA -0.165 4.155 4.320 0.000 0.000 0.218 302 A C 2.265 179.874 177.584 0.041 0.000 1.175 302 A CA 1.641 53.601 52.037 -0.128 0.000 0.628 302 A CB -1.238 17.283 19.000 -0.799 0.000 0.814 302 A HN 0.592 nan 8.150 nan 0.000 0.444 303 C N -0.824 118.614 119.300 0.231 0.000 2.425 303 C HA -0.076 4.385 4.460 0.000 0.000 0.277 303 C C 2.888 177.897 174.990 0.031 0.000 1.280 303 C CA 1.030 60.203 59.018 0.258 0.000 1.744 303 C CB -1.268 26.579 27.740 0.179 0.000 1.989 303 C HN 0.599 nan 8.230 nan 0.000 0.491 304 R N 1.182 121.608 120.500 -0.124 0.000 2.066 304 R HA -0.076 4.264 4.340 0.000 0.000 0.232 304 R C 2.452 178.490 176.300 -0.436 0.000 1.131 304 R CA 1.569 57.447 56.100 -0.369 0.000 0.955 304 R CB -0.647 29.245 30.300 -0.681 0.000 0.851 304 R HN 0.521 nan 8.270 nan 0.000 0.432 305 A N 1.586 124.201 122.820 -0.342 0.000 1.908 305 A HA -0.135 4.185 4.320 0.000 0.000 0.218 305 A C 2.322 179.896 177.584 -0.017 0.000 1.181 305 A CA 1.860 53.849 52.037 -0.080 0.000 0.627 305 A CB -0.564 18.436 19.000 0.001 0.000 0.818 305 A HN 0.410 nan 8.150 nan 0.000 0.445 306 A N -1.512 121.315 122.820 0.012 0.000 2.167 306 A HA 0.182 4.502 4.320 0.000 0.000 0.214 306 A C 1.069 178.674 177.584 0.034 0.000 1.151 306 A CA 0.962 53.032 52.037 0.056 0.000 0.735 306 A CB -0.384 18.711 19.000 0.158 0.000 0.802 306 A HN 0.514 nan 8.150 nan 0.000 0.467 307 K N -0.992 119.413 120.400 0.008 0.000 3.117 307 K HA -0.157 4.163 4.320 0.000 0.000 0.269 307 K C -0.691 175.917 176.600 0.013 0.000 1.098 307 K CA 0.455 56.745 56.287 0.004 0.000 0.785 307 K CB -2.150 30.357 32.500 0.012 0.000 1.242 307 K HN 0.533 nan 8.250 nan 0.000 0.491 308 L N 1.107 122.346 121.223 0.027 0.000 2.456 308 L HA 0.035 4.375 4.340 0.000 0.000 0.272 308 L C 0.866 177.739 176.870 0.005 0.000 1.189 308 L CA 0.139 54.993 54.840 0.024 0.000 0.846 308 L CB 0.370 42.457 42.059 0.047 0.000 1.111 308 L HN 0.162 nan 8.230 nan 0.000 0.475 309 Q N 1.903 121.700 119.800 -0.005 0.000 2.278 309 Q HA 0.109 4.449 4.340 0.000 0.000 0.257 309 Q C -0.380 175.604 176.000 -0.027 0.000 0.928 309 Q CA -0.194 55.600 55.803 -0.015 0.000 0.932 309 Q CB 0.850 29.578 28.738 -0.018 0.000 1.221 309 Q HN 0.462 nan 8.270 nan 0.000 0.434 310 D N 1.876 122.261 120.400 -0.024 0.000 2.735 310 D HA -0.194 4.446 4.640 0.000 0.000 0.235 310 D C -1.084 175.192 176.300 -0.040 0.000 1.175 310 D CA 0.683 54.665 54.000 -0.029 0.000 0.683 310 D CB -0.886 39.890 40.800 -0.039 0.000 1.008 310 D HN 0.586 nan 8.370 nan 0.000 0.416 311 C N 0.338 119.619 119.300 -0.030 0.000 2.482 311 C HA 0.706 5.166 4.460 0.000 0.000 0.378 311 C C 0.753 175.722 174.990 -0.036 0.000 1.284 311 C CA -0.787 58.205 59.018 -0.044 0.000 1.826 311 C CB 0.337 28.060 27.740 -0.028 0.000 2.473 311 C HN 0.418 nan 8.230 nan 0.000 0.562 312 T N 7.095 121.620 114.554 -0.050 0.000 2.771 312 T HA 0.503 4.853 4.350 0.000 0.000 0.281 312 T C 0.268 174.967 174.700 -0.001 0.000 0.982 312 T CA -0.300 61.803 62.100 0.006 0.000 0.978 312 T CB 0.880 69.742 68.868 -0.011 0.000 0.930 312 T HN 0.689 nan 8.240 nan 0.000 0.447 313 M N 3.174 122.818 119.600 0.074 0.000 2.409 313 M HA 0.553 5.033 4.480 0.000 0.000 0.329 313 M C -0.764 175.646 176.300 0.183 0.000 1.180 313 M CA -1.081 54.261 55.300 0.070 0.000 1.053 313 M CB 1.247 33.892 32.600 0.076 0.000 1.586 313 M HN 0.389 nan 8.290 nan 0.000 0.461 314 L N 2.629 123.922 121.223 0.118 0.000 2.404 314 L HA 0.654 4.994 4.340 0.000 0.000 0.272 314 L C -1.484 175.394 176.870 0.013 0.000 0.980 314 L CA -0.437 54.480 54.840 0.129 0.000 0.836 314 L CB 1.681 43.849 42.059 0.182 0.000 1.238 314 L HN 0.476 nan 8.230 nan 0.000 0.408 315 V N 4.774 124.666 119.914 -0.037 0.000 2.531 315 V HA 0.556 4.676 4.120 0.000 0.000 0.301 315 V C -0.493 175.400 176.094 -0.334 0.000 1.034 315 V CA -0.688 61.560 62.300 -0.086 0.000 0.865 315 V CB 1.884 33.753 31.823 0.078 0.000 0.995 315 V HN 0.765 nan 8.190 nan 0.000 0.424 316 N N 4.000 122.438 118.700 -0.437 0.000 2.682 316 N HA 0.429 5.169 4.740 0.000 0.000 0.252 316 N C 0.723 176.038 175.510 -0.325 0.000 1.081 316 N CA 0.456 52.973 53.050 -0.888 0.000 0.844 316 N CB 2.051 39.952 38.487 -0.976 0.000 1.167 316 N HN 1.016 nan 8.380 nan 0.000 0.523 317 G N 3.391 112.159 108.800 -0.054 0.000 2.634 317 G HA2 -0.414 3.546 3.960 0.000 0.000 0.318 317 G HA3 -0.414 3.546 3.960 0.000 0.000 0.318 317 G C 0.607 175.340 174.900 -0.278 0.000 1.207 317 G CA 1.047 46.140 45.100 -0.012 0.000 0.987 317 G HN 0.625 nan 8.290 nan 0.000 0.547 318 D N 1.218 121.355 120.400 -0.438 0.000 2.355 318 D HA 0.104 4.744 4.640 0.000 0.000 0.218 318 D C 0.558 176.689 176.300 -0.281 0.000 1.004 318 D CA 0.955 54.481 54.000 -0.790 0.000 0.880 318 D CB -0.131 40.182 40.800 -0.813 0.000 0.911 318 D HN 0.432 nan 8.370 nan 0.000 0.528 319 D N 0.528 120.835 120.400 -0.155 0.000 2.280 319 D HA 0.291 4.931 4.640 0.000 0.000 0.243 319 D C -1.000 175.273 176.300 -0.045 0.000 1.129 319 D CA -0.553 53.410 54.000 -0.062 0.000 0.848 319 D CB 1.040 41.803 40.800 -0.061 0.000 1.107 319 D HN 0.045 nan 8.370 nan 0.000 0.471 320 L N 5.058 126.304 121.223 0.039 0.000 2.385 320 L HA 0.545 4.885 4.340 0.000 0.000 0.273 320 L C -1.660 175.218 176.870 0.013 0.000 0.990 320 L CA -0.666 54.208 54.840 0.057 0.000 0.821 320 L CB 1.920 44.084 42.059 0.175 0.000 1.279 320 L HN 0.154 nan 8.230 nan 0.000 0.412 321 V N 5.735 125.609 119.914 -0.066 0.000 2.789 321 V HA 0.790 4.910 4.120 0.000 0.000 0.311 321 V C -1.446 174.472 176.094 -0.293 0.000 1.073 321 V CA -0.380 61.813 62.300 -0.178 0.000 0.921 321 V CB 2.474 34.228 31.823 -0.114 0.000 1.009 321 V HN 0.581 nan 8.190 nan 0.000 0.426 322 V N 7.427 126.972 119.914 -0.616 0.000 2.531 322 V HA 0.582 4.702 4.120 0.000 0.000 0.301 322 V C -0.428 175.370 176.094 -0.494 0.000 1.034 322 V CA -0.439 61.466 62.300 -0.658 0.000 0.865 322 V CB 1.725 32.847 31.823 -1.168 0.000 0.995 322 V HN 0.738 nan 8.190 nan 0.000 0.424 323 I N 5.045 125.465 120.570 -0.250 0.000 2.406 323 I HA 0.655 4.826 4.170 0.000 0.000 0.290 323 I C 0.122 176.147 176.117 -0.153 0.000 0.999 323 I CA -0.311 60.900 61.300 -0.148 0.000 1.124 323 I CB 1.531 39.490 38.000 -0.068 0.000 1.289 323 I HN 0.855 nan 8.210 nan 0.000 0.441 324 C N 2.408 121.625 119.300 -0.138 0.000 3.235 324 C HA 0.585 5.046 4.460 0.000 0.000 0.351 324 C C -0.270 174.638 174.990 -0.137 0.000 1.520 324 C CA -0.932 58.020 59.018 -0.109 0.000 1.474 324 C CB 1.642 29.353 27.740 -0.048 0.000 2.019 324 C HN 0.606 nan 8.230 nan 0.000 0.446 325 E N 1.835 121.976 120.200 -0.098 0.000 2.223 325 E HA 0.234 4.585 4.350 0.000 0.000 0.282 325 E C 0.009 176.576 176.600 -0.055 0.000 1.046 325 E CA 0.506 56.849 56.400 -0.095 0.000 0.857 325 E CB 1.505 31.164 29.700 -0.069 0.000 1.055 325 E HN 0.685 nan 8.360 nan 0.000 0.409 326 S N 1.955 117.627 115.700 -0.047 0.000 2.549 326 S HA 0.222 4.692 4.470 0.000 0.000 0.283 326 S C 0.224 174.827 174.600 0.005 0.000 1.320 326 S CA -0.176 58.039 58.200 0.025 0.000 1.058 326 S CB 0.345 63.605 63.200 0.101 0.000 0.882 326 S HN 0.503 nan 8.310 nan 0.000 0.498 327 A N 4.210 127.040 122.820 0.017 0.000 3.106 327 A HA 0.644 4.964 4.320 0.000 0.000 0.306 327 A C 0.818 178.405 177.584 0.004 0.000 1.192 327 A CA 0.034 52.073 52.037 0.003 0.000 0.994 327 A CB -1.015 17.986 19.000 0.002 0.000 1.107 327 A HN 1.829 nan 8.150 nan 0.000 0.585 328 G N -0.631 108.169 108.800 0.000 0.000 2.731 328 G HA2 -0.138 3.823 3.960 0.000 0.000 0.686 328 G HA3 -0.138 3.823 3.960 0.000 0.000 0.686 328 G C 0.600 175.503 174.900 0.004 0.000 1.395 328 G CA -0.204 44.883 45.100 -0.020 0.000 0.870 328 G HN 0.564 nan 8.290 nan 0.000 0.591 329 T N 0.721 115.247 114.554 -0.048 0.000 2.653 329 T HA -0.237 4.113 4.350 0.000 0.000 0.268 329 T C 2.382 177.110 174.700 0.046 0.000 1.035 329 T CA 2.535 64.628 62.100 -0.010 0.000 1.154 329 T CB -0.167 68.637 68.868 -0.107 0.000 0.862 329 T HN 0.627 nan 8.240 nan 0.000 0.441 330 Q N 0.771 120.577 119.800 0.012 0.000 2.049 330 Q HA 0.016 4.356 4.340 0.000 0.000 0.198 330 Q C 2.177 178.186 176.000 0.015 0.000 0.971 330 Q CA 1.469 57.280 55.803 0.012 0.000 0.833 330 Q CB -0.180 28.558 28.738 -0.001 0.000 0.896 330 Q HN 0.567 nan 8.270 nan 0.000 0.434 331 E N -0.223 119.986 120.200 0.014 0.000 2.268 331 E HA -0.148 4.202 4.350 0.000 0.000 0.195 331 E C 1.105 177.714 176.600 0.015 0.000 0.995 331 E CA 0.749 57.156 56.400 0.011 0.000 0.836 331 E CB 0.126 29.831 29.700 0.008 0.000 0.763 331 E HN 0.387 nan 8.360 nan 0.000 0.491 332 D N 0.497 120.919 120.400 0.037 0.000 2.084 332 D HA -0.126 4.514 4.640 0.000 0.000 0.196 332 D C 1.871 178.165 176.300 -0.010 0.000 0.985 332 D CA 1.333 55.355 54.000 0.038 0.000 0.826 332 D CB -0.240 40.642 40.800 0.137 0.000 0.978 332 D HN 0.148 nan 8.370 nan 0.000 0.456 333 A N 0.868 123.695 122.820 0.012 0.000 1.933 333 A HA -0.013 4.307 4.320 0.000 0.000 0.218 333 A C 2.268 179.835 177.584 -0.029 0.000 1.175 333 A CA 2.113 54.141 52.037 -0.015 0.000 0.628 333 A CB -0.646 18.361 19.000 0.012 0.000 0.814 333 A HN 0.230 nan 8.150 nan 0.000 0.444 334 A N -0.591 122.221 122.820 -0.013 0.000 1.877 334 A HA -0.063 4.257 4.320 0.000 0.000 0.216 334 A C 2.428 180.002 177.584 -0.016 0.000 1.186 334 A CA 1.993 54.023 52.037 -0.011 0.000 0.620 334 A CB -0.893 18.105 19.000 -0.003 0.000 0.822 334 A HN 0.433 nan 8.150 nan 0.000 0.443 335 S N -0.115 115.572 115.700 -0.021 0.000 2.399 335 S HA -0.071 4.399 4.470 0.000 0.000 0.231 335 S C 1.726 176.306 174.600 -0.033 0.000 1.022 335 S CA 1.388 59.578 58.200 -0.017 0.000 0.983 335 S CB -0.374 62.815 63.200 -0.018 0.000 0.803 335 S HN 0.513 nan 8.310 nan 0.000 0.480 336 L N 0.573 121.725 121.223 -0.119 0.000 2.179 336 L HA 0.046 4.386 4.340 0.000 0.000 0.208 336 L C 2.550 179.400 176.870 -0.033 0.000 1.096 336 L CA 0.771 55.487 54.840 -0.206 0.000 0.779 336 L CB -0.497 41.309 42.059 -0.423 0.000 0.922 336 L HN 0.233 nan 8.230 nan 0.000 0.443 337 R N -0.019 120.467 120.500 -0.022 0.000 2.073 337 R HA -0.111 4.229 4.340 0.000 0.000 0.234 337 R C 2.284 178.597 176.300 0.022 0.000 1.134 337 R CA 1.233 57.338 56.100 0.008 0.000 0.952 337 R CB -0.536 29.761 30.300 -0.005 0.000 0.850 337 R HN 0.170 nan 8.270 nan 0.000 0.433 338 V N 0.929 120.855 119.914 0.020 0.000 2.295 338 V HA -0.254 3.866 4.120 0.000 0.000 0.246 338 V C 1.996 178.100 176.094 0.017 0.000 1.049 338 V CA 1.815 64.122 62.300 0.011 0.000 1.024 338 V CB -0.637 31.196 31.823 0.016 0.000 0.648 338 V HN 0.212 nan 8.190 nan 0.000 0.447 339 F N 1.576 121.474 119.950 -0.087 0.000 2.095 339 F HA -0.257 4.271 4.527 0.000 0.000 0.298 339 F C 2.459 178.196 175.800 -0.105 0.000 1.104 339 F CA 2.423 60.367 58.000 -0.094 0.000 1.232 339 F CB -0.550 38.393 39.000 -0.094 0.000 0.987 339 F HN 0.111 nan 8.300 nan 0.000 0.475 340 T N -0.058 114.575 114.554 0.132 0.000 2.788 340 T HA -0.189 4.161 4.350 0.000 0.000 0.268 340 T C 1.694 176.382 174.700 -0.020 0.000 1.044 340 T CA 1.687 63.870 62.100 0.139 0.000 1.139 340 T CB -0.333 68.689 68.868 0.258 0.000 0.867 340 T HN 0.395 nan 8.240 nan 0.000 0.454 341 E N 0.915 121.080 120.200 -0.058 0.000 2.051 341 E HA -0.087 4.264 4.350 0.000 0.000 0.192 341 E C 2.551 179.015 176.600 -0.226 0.000 0.991 341 E CA 1.080 57.416 56.400 -0.105 0.000 0.799 341 E CB -0.219 29.435 29.700 -0.078 0.000 0.748 341 E HN 0.478 nan 8.360 nan 0.000 0.449 342 A N 1.046 123.670 122.820 -0.326 0.000 1.877 342 A HA -0.199 4.121 4.320 0.000 0.000 0.216 342 A C 2.145 179.245 177.584 -0.807 0.000 1.186 342 A CA 1.318 52.997 52.037 -0.597 0.000 0.620 342 A CB -0.362 18.326 19.000 -0.521 0.000 0.822 342 A HN 0.136 nan 8.150 nan 0.000 0.443 343 M N -0.132 119.126 119.600 -0.570 0.000 2.106 343 M HA -0.136 4.344 4.480 0.000 0.000 0.259 343 M C 2.187 178.397 176.300 -0.151 0.000 1.068 343 M CA 2.184 57.275 55.300 -0.347 0.000 1.100 343 M CB -1.987 30.335 32.600 -0.463 0.000 1.351 343 M HN 0.478 nan 8.290 nan 0.000 0.404 344 T N -0.091 114.383 114.554 -0.133 0.000 2.777 344 T HA -0.106 4.244 4.350 0.000 0.000 0.266 344 T C 1.969 176.611 174.700 -0.097 0.000 1.040 344 T CA 1.072 63.135 62.100 -0.060 0.000 1.141 344 T CB -0.209 68.634 68.868 -0.041 0.000 0.868 344 T HN 0.375 nan 8.240 nan 0.000 0.444 345 R N 0.124 120.502 120.500 -0.205 0.000 2.105 345 R HA -0.093 4.248 4.340 0.000 0.000 0.239 345 R C 1.879 178.129 176.300 -0.083 0.000 1.135 345 R CA 1.289 57.274 56.100 -0.192 0.000 0.967 345 R CB -0.367 29.752 30.300 -0.302 0.000 0.861 345 R HN 0.431 nan 8.270 nan 0.000 0.442 346 Y N 0.119 120.363 120.300 -0.094 0.000 2.578 346 Y HA 0.059 4.609 4.550 0.000 0.000 0.297 346 Y C 0.953 176.799 175.900 -0.089 0.000 1.176 346 Y CA -0.180 57.852 58.100 -0.113 0.000 1.315 346 Y CB -0.292 38.125 38.460 -0.072 0.000 1.031 346 Y HN -0.027 nan 8.280 nan 0.000 0.524 347 S N -0.227 115.512 115.700 0.066 0.000 3.884 347 S HA -0.096 4.375 4.470 0.000 0.000 0.374 347 S C -0.077 174.539 174.600 0.028 0.000 0.971 347 S CA 0.436 58.660 58.200 0.040 0.000 1.152 347 S CB -1.429 61.784 63.200 0.021 0.000 0.877 347 S HN 0.685 nan 8.310 nan 0.000 0.491 348 A N 2.049 124.908 122.820 0.064 0.000 3.409 348 A HA 0.592 4.912 4.320 0.000 0.000 0.282 348 A C -2.374 175.339 177.584 0.214 0.000 1.064 348 A CA -0.822 51.285 52.037 0.117 0.000 0.889 348 A CB 0.963 20.060 19.000 0.163 0.000 1.251 348 A HN 0.417 nan 8.150 nan 0.000 0.538 349 P HA 0.352 nan 4.420 nan 0.000 0.274 349 P C -2.944 174.422 177.300 0.109 0.000 1.237 349 P CA -1.266 61.900 63.100 0.110 0.000 0.793 349 P CB 0.684 32.380 31.700 -0.007 0.000 0.977 350 P HA 0.130 nan 4.420 nan 0.000 0.281 350 P C 0.642 177.873 177.300 -0.114 0.000 1.249 350 P CA 0.038 63.035 63.100 -0.172 0.000 0.810 350 P CB 0.946 32.520 31.700 -0.210 0.000 1.008 351 G N 2.463 111.187 108.800 -0.128 0.000 2.648 351 G HA2 -0.005 3.955 3.960 0.000 0.000 0.217 351 G HA3 -0.005 3.955 3.960 0.000 0.000 0.217 351 G C -0.628 174.226 174.900 -0.076 0.000 1.386 351 G CA -0.013 45.042 45.100 -0.074 0.000 0.920 351 G HN 0.607 nan 8.290 nan 0.000 0.540 352 D N 2.683 123.038 120.400 -0.075 0.000 2.348 352 D HA 0.396 5.037 4.640 0.000 0.000 0.253 352 D C -2.313 173.934 176.300 -0.090 0.000 1.161 352 D CA -1.294 52.668 54.000 -0.063 0.000 0.876 352 D CB 1.098 41.873 40.800 -0.042 0.000 1.160 352 D HN 0.143 nan 8.370 nan 0.000 0.459 353 P HA 0.099 nan 4.420 nan 0.000 0.267 353 P C -2.345 174.933 177.300 -0.037 0.000 1.200 353 P CA -1.077 61.992 63.100 -0.052 0.000 0.772 353 P CB -0.172 31.514 31.700 -0.024 0.000 0.855 354 P HA 0.149 nan 4.420 nan 0.000 0.275 354 P C -0.622 176.654 177.300 -0.041 0.000 1.228 354 P CA 0.143 63.251 63.100 0.014 0.000 0.786 354 P CB 0.771 32.494 31.700 0.037 0.000 0.927 355 Q N 2.021 121.813 119.800 -0.013 0.000 2.347 355 Q HA 0.404 4.744 4.340 0.000 0.000 0.271 355 Q C -2.409 173.574 176.000 -0.029 0.000 1.064 355 Q CA -1.970 53.816 55.803 -0.028 0.000 0.800 355 Q CB 2.302 31.041 28.738 0.002 0.000 1.304 355 Q HN 0.398 nan 8.270 nan 0.000 0.438 356 P HA 0.164 nan 4.420 nan 0.000 0.271 356 P C -0.539 176.600 177.300 -0.268 0.000 1.216 356 P CA -0.057 62.946 63.100 -0.162 0.000 0.776 356 P CB 1.210 32.797 31.700 -0.187 0.000 0.881 357 E N 1.689 121.681 120.200 -0.346 0.000 2.266 357 E HA 0.219 4.569 4.350 0.000 0.000 0.268 357 E C -0.577 175.832 176.600 -0.319 0.000 0.879 357 E CA -0.403 55.844 56.400 -0.256 0.000 0.762 357 E CB 1.601 31.278 29.700 -0.038 0.000 1.199 357 E HN 0.448 nan 8.360 nan 0.000 0.422 358 Y N -0.417 120.040 120.300 0.262 0.000 2.500 358 Y HA 0.159 4.709 4.550 0.000 0.000 0.246 358 Y C 0.390 176.550 175.900 0.433 0.000 1.146 358 Y CA -0.428 57.889 58.100 0.361 0.000 1.230 358 Y CB 0.996 39.561 38.460 0.175 0.000 1.214 358 Y HN 0.260 nan 8.280 nan 0.000 0.526 359 D N 0.776 121.339 120.400 0.272 0.000 2.440 359 D HA 0.115 4.755 4.640 0.000 0.000 0.239 359 D C 0.812 176.908 176.300 -0.339 0.000 1.084 359 D CA -0.266 53.743 54.000 0.015 0.000 0.843 359 D CB 1.635 42.454 40.800 0.032 0.000 1.097 359 D HN 0.121 nan 8.370 nan 0.000 0.531 360 L N 4.450 125.134 121.223 -0.898 0.000 2.043 360 L HA -0.120 4.220 4.340 0.000 0.000 0.212 360 L C 1.629 178.187 176.870 -0.520 0.000 1.075 360 L CA 1.953 56.117 54.840 -1.127 0.000 0.752 360 L CB -0.329 40.790 42.059 -1.567 0.000 0.891 360 L HN 0.502 nan 8.230 nan 0.000 0.432 361 E N -0.765 119.223 120.200 -0.354 0.000 2.333 361 E HA -0.174 4.176 4.350 0.000 0.000 0.198 361 E C 1.851 178.365 176.600 -0.144 0.000 1.007 361 E CA 0.902 57.181 56.400 -0.202 0.000 0.845 361 E CB -0.174 29.454 29.700 -0.120 0.000 0.766 361 E HN 0.549 nan 8.360 nan 0.000 0.507 362 L N 0.648 121.787 121.223 -0.140 0.000 2.607 362 L HA 0.207 4.547 4.340 0.000 0.000 0.228 362 L C 0.504 177.328 176.870 -0.077 0.000 1.123 362 L CA -0.245 54.547 54.840 -0.080 0.000 0.890 362 L CB 0.323 42.358 42.059 -0.040 0.000 1.103 362 L HN 0.013 nan 8.230 nan 0.000 0.468 363 I N 0.227 120.725 120.570 -0.121 0.000 2.352 363 I HA 0.085 4.255 4.170 0.000 0.000 0.290 363 I C 0.088 176.162 176.117 -0.072 0.000 1.036 363 I CA 0.247 61.493 61.300 -0.089 0.000 1.336 363 I CB 1.128 39.057 38.000 -0.117 0.000 1.407 363 I HN -0.073 nan 8.210 nan 0.000 0.497 364 T N 5.327 119.859 114.554 -0.036 0.000 2.749 364 T HA 0.458 4.808 4.350 0.000 0.000 0.287 364 T C -0.194 174.502 174.700 -0.006 0.000 0.970 364 T CA -0.578 61.511 62.100 -0.019 0.000 0.980 364 T CB 0.864 69.728 68.868 -0.008 0.000 0.924 364 T HN 0.743 nan 8.240 nan 0.000 0.456 365 S N 0.920 116.618 115.700 -0.002 0.000 2.546 365 S HA 0.415 4.886 4.470 0.000 0.000 0.274 365 S C 0.074 174.688 174.600 0.024 0.000 1.121 365 S CA -0.833 57.368 58.200 0.002 0.000 0.887 365 S CB 0.655 63.842 63.200 -0.023 0.000 1.094 365 S HN 0.878 nan 8.310 nan 0.000 0.474 366 C N 2.044 121.361 119.300 0.028 0.000 4.028 366 C HA -0.153 4.307 4.460 0.000 0.000 0.300 366 C C 1.405 176.465 174.990 0.117 0.000 1.399 366 C CA 0.755 59.813 59.018 0.067 0.000 2.051 366 C CB -3.314 24.461 27.740 0.058 0.000 1.318 366 C HN 1.649 nan 8.230 nan 0.000 0.696 367 S N -1.736 114.019 115.700 0.091 0.000 3.380 367 S HA -0.198 4.272 4.470 0.000 0.000 0.300 367 S C 0.314 174.973 174.600 0.099 0.000 1.255 367 S CA 1.334 59.590 58.200 0.092 0.000 0.963 367 S CB -0.811 62.459 63.200 0.117 0.000 1.106 367 S HN 1.055 nan 8.310 nan 0.000 0.629 368 S N 1.656 117.419 115.700 0.106 0.000 2.632 368 S HA 0.753 5.223 4.470 0.000 0.000 0.289 368 S C -0.513 174.115 174.600 0.047 0.000 1.115 368 S CA -0.978 57.301 58.200 0.131 0.000 0.889 368 S CB 1.836 65.183 63.200 0.244 0.000 1.116 368 S HN 0.561 nan 8.310 nan 0.000 0.486 369 N N -0.541 118.174 118.700 0.024 0.000 2.284 369 N HA 0.433 5.173 4.740 0.000 0.000 0.289 369 N C -1.340 174.111 175.510 -0.097 0.000 1.179 369 N CA -0.588 52.432 53.050 -0.050 0.000 0.774 369 N CB 1.159 39.608 38.487 -0.062 0.000 1.548 369 N HN 0.331 nan 8.380 nan 0.000 0.473 370 V N 0.649 120.473 119.914 -0.150 0.000 2.715 370 V HA 0.312 4.432 4.120 0.000 0.000 0.299 370 V C 0.574 176.541 176.094 -0.213 0.000 1.054 370 V CA 0.251 62.436 62.300 -0.191 0.000 1.077 370 V CB 0.876 32.566 31.823 -0.222 0.000 0.972 370 V HN 0.867 nan 8.190 nan 0.000 0.484 371 S N 2.958 118.448 115.700 -0.351 0.000 2.720 371 S HA 0.807 5.278 4.470 0.000 0.000 0.287 371 S C -1.228 173.242 174.600 -0.216 0.000 1.168 371 S CA -0.524 57.489 58.200 -0.313 0.000 0.832 371 S CB 2.100 65.077 63.200 -0.373 0.000 1.166 371 S HN 0.416 nan 8.310 nan 0.000 0.493 372 V N 1.463 121.363 119.914 -0.023 0.000 2.604 372 V HA 0.937 5.057 4.120 0.000 0.000 0.305 372 V C 0.277 176.397 176.094 0.043 0.000 1.043 372 V CA -0.194 62.056 62.300 -0.084 0.000 0.888 372 V CB 0.904 32.550 31.823 -0.295 0.000 0.995 372 V HN 1.092 nan 8.190 nan 0.000 0.429 373 A N 3.203 125.920 122.820 -0.171 0.000 2.548 373 A HA 0.949 5.269 4.320 0.000 0.000 0.282 373 A C -1.410 175.733 177.584 -0.736 0.000 1.288 373 A CA -0.571 51.191 52.037 -0.458 0.000 0.748 373 A CB 1.582 20.112 19.000 -0.783 0.000 1.339 373 A HN 0.908 nan 8.150 nan 0.000 0.475 374 H N 0.080 118.805 119.070 -0.575 0.000 2.600 374 H HA 0.473 5.029 4.556 0.000 0.000 0.357 374 H C -0.877 174.085 175.328 -0.611 0.000 1.106 374 H CA -0.386 55.326 56.048 -0.560 0.000 1.193 374 H CB 1.432 30.829 29.762 -0.609 0.000 1.594 374 H HN 0.800 nan 8.280 nan 0.000 0.526 375 D N 1.265 121.536 120.400 -0.215 0.000 2.447 375 D HA 0.194 4.834 4.640 0.000 0.000 0.265 375 D C 1.358 177.689 176.300 0.052 0.000 1.250 375 D CA -0.236 53.703 54.000 -0.102 0.000 1.046 375 D CB 0.367 41.131 40.800 -0.059 0.000 1.095 375 D HN 0.511 nan 8.370 nan 0.000 0.555 376 A N -0.058 122.821 122.820 0.098 0.000 1.948 376 A HA -0.183 4.137 4.320 0.000 0.000 0.220 376 A C 2.155 179.816 177.584 0.128 0.000 1.177 376 A CA 2.105 54.226 52.037 0.141 0.000 0.636 376 A CB -1.041 18.010 19.000 0.086 0.000 0.815 376 A HN 0.499 nan 8.150 nan 0.000 0.449 377 S N -1.840 113.910 115.700 0.084 0.000 2.607 377 S HA 0.303 4.773 4.470 0.000 0.000 0.224 377 S C 1.530 176.175 174.600 0.075 0.000 0.969 377 S CA 1.057 59.294 58.200 0.063 0.000 0.927 377 S CB -0.153 63.071 63.200 0.040 0.000 0.772 377 S HN 1.657 nan 8.310 nan 0.000 0.533 378 G N 1.821 110.691 108.800 0.116 0.000 2.176 378 G HA2 -0.312 3.648 3.960 0.000 0.000 0.253 378 G HA3 -0.312 3.648 3.960 0.000 0.000 0.253 378 G C 0.139 175.113 174.900 0.124 0.000 0.979 378 G CA 0.403 45.568 45.100 0.107 0.000 0.641 378 G HN 0.549 nan 8.290 nan 0.000 0.530 379 K N 1.092 121.535 120.400 0.070 0.000 2.448 379 K HA 0.347 4.667 4.320 0.000 0.000 0.278 379 K C 0.842 177.423 176.600 -0.031 0.000 1.009 379 K CA -0.493 55.815 56.287 0.034 0.000 0.995 379 K CB 0.259 32.760 32.500 0.001 0.000 0.917 379 K HN 0.348 nan 8.250 nan 0.000 0.481 380 R N 2.010 122.450 120.500 -0.100 0.000 2.537 380 R HA 0.162 4.502 4.340 0.000 0.000 0.280 380 R C -0.802 175.285 176.300 -0.356 0.000 1.058 380 R CA -0.303 55.569 56.100 -0.380 0.000 1.057 380 R CB 0.873 30.965 30.300 -0.347 0.000 0.973 380 R HN 0.294 nan 8.270 nan 0.000 0.438 381 V N 4.510 124.148 119.914 -0.459 0.000 2.569 381 V HA 0.202 4.323 4.120 0.000 0.000 0.301 381 V C -1.105 174.836 176.094 -0.254 0.000 1.044 381 V CA -0.898 61.235 62.300 -0.279 0.000 0.874 381 V CB 1.354 33.060 31.823 -0.194 0.000 1.002 381 V HN 0.587 nan 8.190 nan 0.000 0.424 382 Y N 5.497 125.788 120.300 -0.016 0.000 2.309 382 Y HA 0.609 5.160 4.550 0.000 0.000 0.327 382 Y C 0.104 176.067 175.900 0.105 0.000 1.172 382 Y CA -0.064 58.037 58.100 0.002 0.000 1.280 382 Y CB 0.929 39.347 38.460 -0.070 0.000 1.234 382 Y HN 0.730 nan 8.280 nan 0.000 0.512 383 Y N 0.312 120.672 120.300 0.099 0.000 2.670 383 Y HA 0.682 5.232 4.550 0.000 0.000 0.334 383 Y C -2.274 173.678 175.900 0.086 0.000 1.185 383 Y CA -2.011 56.125 58.100 0.060 0.000 1.053 383 Y CB 0.652 39.120 38.460 0.013 0.000 1.298 383 Y HN 0.434 nan 8.280 nan 0.000 0.459 384 L N 1.934 123.201 121.223 0.073 0.000 2.307 384 L HA 0.770 5.110 4.340 0.000 0.000 0.282 384 L C 0.033 177.054 176.870 0.252 0.000 1.051 384 L CA 0.301 55.169 54.840 0.046 0.000 0.804 384 L CB 1.593 43.710 42.059 0.097 0.000 1.197 384 L HN 1.030 nan 8.230 nan 0.000 0.431 385 T N 3.938 118.610 114.554 0.196 0.000 2.716 385 T HA 0.854 5.204 4.350 0.000 0.000 0.286 385 T C -1.259 173.589 174.700 0.247 0.000 1.052 385 T CA -0.639 61.676 62.100 0.357 0.000 1.024 385 T CB 1.189 70.220 68.868 0.271 0.000 1.349 385 T HN 0.802 nan 8.240 nan 0.000 0.525 386 R N 0.478 121.056 120.500 0.130 0.000 2.733 386 R HA 0.483 4.823 4.340 0.000 0.000 0.272 386 R C -1.450 174.688 176.300 -0.270 0.000 1.029 386 R CA -1.007 55.041 56.100 -0.086 0.000 0.888 386 R CB 0.475 30.665 30.300 -0.183 0.000 1.251 386 R HN 0.516 nan 8.270 nan 0.000 0.464 387 D N 1.902 122.149 120.400 -0.256 0.000 2.472 387 D HA 0.039 4.679 4.640 0.000 0.000 0.248 387 D C -1.421 174.536 176.300 -0.572 0.000 1.174 387 D CA -1.145 52.657 54.000 -0.329 0.000 0.883 387 D CB 1.234 41.921 40.800 -0.188 0.000 1.149 387 D HN 0.346 nan 8.370 nan 0.000 0.488 388 P HA 0.046 nan 4.420 nan 0.000 0.257 388 P C 1.093 178.062 177.300 -0.551 0.000 1.281 388 P CA 0.045 62.473 63.100 -1.120 0.000 0.826 388 P CB 0.319 31.185 31.700 -1.390 0.000 1.237 389 T N -0.427 113.929 114.554 -0.330 0.000 2.652 389 T HA -0.135 4.215 4.350 0.000 0.000 0.267 389 T C 1.724 176.359 174.700 -0.108 0.000 1.039 389 T CA 2.318 64.321 62.100 -0.161 0.000 1.153 389 T CB -1.106 67.712 68.868 -0.083 0.000 0.863 389 T HN 0.190 nan 8.240 nan 0.000 0.428 390 T N 2.216 116.710 114.554 -0.101 0.000 2.737 390 T HA -0.047 4.304 4.350 0.000 0.000 0.265 390 T C -0.544 174.115 174.700 -0.068 0.000 1.038 390 T CA 1.160 63.232 62.100 -0.047 0.000 1.144 390 T CB -1.246 67.630 68.868 0.013 0.000 0.866 390 T HN 0.327 nan 8.240 nan 0.000 0.434 391 P HA -0.032 nan 4.420 nan 0.000 0.216 391 P C 1.444 178.774 177.300 0.050 0.000 1.150 391 P CA 0.993 64.086 63.100 -0.011 0.000 0.843 391 P CB -0.178 31.471 31.700 -0.084 0.000 0.787 392 L N -1.561 119.646 121.223 -0.026 0.000 2.131 392 L HA -0.060 4.280 4.340 0.000 0.000 0.206 392 L C 2.499 179.407 176.870 0.064 0.000 1.087 392 L CA 1.208 56.061 54.840 0.022 0.000 0.767 392 L CB -1.132 40.898 42.059 -0.048 0.000 0.917 392 L HN -0.068 nan 8.230 nan 0.000 0.441 393 A N 0.500 123.346 122.820 0.044 0.000 1.883 393 A HA -0.237 4.083 4.320 0.000 0.000 0.217 393 A C 2.383 180.040 177.584 0.121 0.000 1.186 393 A CA 1.727 53.812 52.037 0.080 0.000 0.624 393 A CB -0.487 18.536 19.000 0.038 0.000 0.822 393 A HN 0.333 nan 8.150 nan 0.000 0.444 394 R N -0.760 119.785 120.500 0.074 0.000 2.092 394 R HA 0.007 4.347 4.340 0.000 0.000 0.231 394 R C 2.484 178.941 176.300 0.261 0.000 1.119 394 R CA 1.049 57.209 56.100 0.099 0.000 0.970 394 R CB -0.447 29.853 30.300 0.000 0.000 0.864 394 R HN 0.508 nan 8.270 nan 0.000 0.440 395 A N 1.420 124.422 122.820 0.304 0.000 1.933 395 A HA -0.122 4.198 4.320 0.000 0.000 0.218 395 A C 2.369 180.208 177.584 0.425 0.000 1.175 395 A CA 1.671 54.014 52.037 0.510 0.000 0.628 395 A CB -0.570 18.770 19.000 0.568 0.000 0.814 395 A HN 0.391 nan 8.150 nan 0.000 0.444 396 A N -1.321 121.651 122.820 0.253 0.000 1.902 396 A HA -0.192 4.129 4.320 0.000 0.000 0.217 396 A C 2.099 179.805 177.584 0.203 0.000 1.181 396 A CA 1.396 53.537 52.037 0.175 0.000 0.623 396 A CB -0.840 18.244 19.000 0.140 0.000 0.818 396 A HN 0.826 nan 8.150 nan 0.000 0.443 397 W N 0.928 122.279 121.300 0.085 0.000 2.355 397 W HA -0.138 4.523 4.660 0.000 0.000 0.309 397 W C 1.720 178.294 176.519 0.090 0.000 1.206 397 W CA 1.920 59.301 57.345 0.059 0.000 1.284 397 W CB -0.319 29.158 29.460 0.028 0.000 1.145 397 W HN 0.553 nan 8.180 nan 0.000 0.502 398 E N -0.829 119.643 120.200 0.454 0.000 2.347 398 E HA -0.131 4.219 4.350 0.000 0.000 0.196 398 E C 1.962 178.754 176.600 0.319 0.000 1.008 398 E CA 1.462 58.101 56.400 0.397 0.000 0.852 398 E CB -0.167 29.812 29.700 0.465 0.000 0.783 398 E HN 0.069 nan 8.360 nan 0.000 0.505 399 T N 0.356 115.087 114.554 0.296 0.000 2.788 399 T HA -0.129 4.221 4.350 0.000 0.000 0.268 399 T C 1.766 176.467 174.700 0.002 0.000 1.044 399 T CA 1.379 63.575 62.100 0.160 0.000 1.139 399 T CB 0.006 68.974 68.868 0.168 0.000 0.867 399 T HN 0.240 nan 8.240 nan 0.000 0.454 400 A N -0.006 122.779 122.820 -0.058 0.000 2.288 400 A HA 0.335 4.655 4.320 0.000 0.000 0.216 400 A C 0.902 178.378 177.584 -0.179 0.000 1.199 400 A CA -0.111 51.838 52.037 -0.146 0.000 0.891 400 A CB 0.505 19.383 19.000 -0.204 0.000 0.923 400 A HN 0.102 nan 8.150 nan 0.000 0.500 401 R N 0.482 120.902 120.500 -0.133 0.000 2.532 401 R HA 0.334 4.675 4.340 0.000 0.000 0.297 401 R C -1.621 174.679 176.300 -0.000 0.000 0.984 401 R CA -0.524 55.538 56.100 -0.063 0.000 0.884 401 R CB 0.887 31.208 30.300 0.035 0.000 1.182 401 R HN 0.493 nan 8.270 nan 0.000 0.442 402 H N 0.976 120.125 119.070 0.133 0.000 2.929 402 H HA 0.103 4.660 4.556 0.000 0.000 0.317 402 H C 0.602 176.014 175.328 0.141 0.000 1.031 402 H CA 0.755 56.883 56.048 0.134 0.000 1.466 402 H CB 0.642 30.458 29.762 0.090 0.000 1.482 402 H HN 0.501 nan 8.280 nan 0.000 0.561 403 T N 0.690 115.387 114.554 0.238 0.000 2.932 403 T HA 0.221 4.572 4.350 0.000 0.000 0.289 403 T C -1.526 173.219 174.700 0.075 0.000 1.039 403 T CA -2.087 60.106 62.100 0.155 0.000 1.024 403 T CB 1.828 70.778 68.868 0.136 0.000 1.090 403 T HN 0.328 nan 8.240 nan 0.000 0.496 404 P HA 0.059 nan 4.420 nan 0.000 0.220 404 P C 0.024 177.283 177.300 -0.068 0.000 1.148 404 P CA 0.435 63.517 63.100 -0.029 0.000 0.803 404 P CB 0.082 31.787 31.700 0.008 0.000 0.782 405 V N 1.662 121.552 119.914 -0.040 0.000 2.483 405 V HA 0.221 4.341 4.120 0.000 0.000 0.297 405 V C -0.186 175.864 176.094 -0.074 0.000 1.027 405 V CA -0.813 61.448 62.300 -0.066 0.000 0.855 405 V CB 1.747 33.541 31.823 -0.049 0.000 0.995 405 V HN -0.005 nan 8.190 nan 0.000 0.424 406 N N 3.166 121.773 118.700 -0.155 0.000 2.602 406 N HA 0.061 4.802 4.740 0.000 0.000 0.238 406 N C 1.370 176.671 175.510 -0.349 0.000 1.084 406 N CA 0.207 53.092 53.050 -0.274 0.000 0.952 406 N CB 1.623 39.788 38.487 -0.536 0.000 1.244 406 N HN 0.830 nan 8.380 nan 0.000 0.512 407 S N 2.142 117.756 115.700 -0.142 0.000 2.399 407 S HA -0.128 4.342 4.470 0.000 0.000 0.231 407 S C 1.853 176.422 174.600 -0.052 0.000 1.022 407 S CA 0.251 58.409 58.200 -0.069 0.000 0.983 407 S CB -0.435 62.770 63.200 0.010 0.000 0.803 407 S HN 0.796 nan 8.310 nan 0.000 0.480 408 W N 1.284 122.509 121.300 -0.125 0.000 2.342 408 W HA -0.067 4.593 4.660 0.000 0.000 0.297 408 W C 1.692 178.149 176.519 -0.103 0.000 1.213 408 W CA 0.554 57.790 57.345 -0.182 0.000 1.251 408 W CB -1.032 27.968 29.460 -0.767 0.000 1.136 408 W HN 0.361 nan 8.180 nan 0.000 0.526 409 L N 2.756 123.425 121.223 -0.923 0.000 2.072 409 L HA 0.183 4.523 4.340 0.000 0.000 0.205 409 L C 2.727 179.437 176.870 -0.268 0.000 1.079 409 L CA 2.729 57.081 54.840 -0.814 0.000 0.752 409 L CB -1.421 39.910 42.059 -1.213 0.000 0.906 409 L HN 0.056 nan 8.230 nan 0.000 0.436 410 G N -0.548 108.118 108.800 -0.223 0.000 2.440 410 G HA2 -0.313 3.648 3.960 0.000 0.000 0.218 410 G HA3 -0.313 3.648 3.960 0.000 0.000 0.218 410 G C 1.462 176.392 174.900 0.051 0.000 1.154 410 G CA 0.845 45.898 45.100 -0.077 0.000 0.767 410 G HN 0.443 nan 8.290 nan 0.000 0.552 411 N N 0.523 119.307 118.700 0.140 0.000 2.188 411 N HA -0.007 4.733 4.740 0.000 0.000 0.184 411 N C 2.241 177.911 175.510 0.267 0.000 1.018 411 N CA 0.625 53.879 53.050 0.340 0.000 0.858 411 N CB -0.157 38.598 38.487 0.448 0.000 0.989 411 N HN 0.350 nan 8.380 nan 0.000 0.426 412 I N 0.825 121.512 120.570 0.196 0.000 2.252 412 I HA -0.201 3.969 4.170 0.000 0.000 0.245 412 I C 1.973 178.159 176.117 0.115 0.000 1.102 412 I CA 0.782 62.177 61.300 0.158 0.000 1.385 412 I CB -0.115 38.047 38.000 0.271 0.000 1.064 412 I HN 0.024 nan 8.210 nan 0.000 0.414 413 I N -0.074 120.568 120.570 0.121 0.000 2.179 413 I HA -0.297 3.873 4.170 0.000 0.000 0.242 413 I C 2.429 178.664 176.117 0.197 0.000 1.088 413 I CA 1.328 62.724 61.300 0.160 0.000 1.357 413 I CB -0.197 37.899 38.000 0.160 0.000 1.051 413 I HN 0.208 nan 8.210 nan 0.000 0.409 414 M N -1.012 118.627 119.600 0.065 0.000 2.388 414 M HA -0.053 4.428 4.480 0.000 0.000 0.265 414 M C 0.944 177.065 176.300 -0.299 0.000 1.088 414 M CA 1.508 56.738 55.300 -0.116 0.000 1.134 414 M CB -0.509 31.914 32.600 -0.294 0.000 1.384 414 M HN 0.189 nan 8.290 nan 0.000 0.447 415 Y N -0.491 119.810 120.300 0.001 0.000 2.720 415 Y HA 0.475 5.025 4.550 0.000 0.000 0.277 415 Y C 1.824 177.482 175.900 -0.403 0.000 1.144 415 Y CA -0.307 57.681 58.100 -0.187 0.000 1.221 415 Y CB -0.888 37.399 38.460 -0.290 0.000 1.163 415 Y HN 0.152 nan 8.280 nan 0.000 0.537 416 A N 1.104 123.737 122.820 -0.311 0.000 1.927 416 A HA -0.194 4.127 4.320 0.000 0.000 0.220 416 A C -0.379 176.928 177.584 -0.462 0.000 1.185 416 A CA 1.825 53.625 52.037 -0.395 0.000 0.639 416 A CB -1.428 17.322 19.000 -0.418 0.000 0.820 416 A HN 0.293 nan 8.150 nan 0.000 0.451 417 P HA 0.026 nan 4.420 nan 0.000 0.237 417 P C 0.586 177.662 177.300 -0.374 0.000 1.178 417 P CA 1.186 64.031 63.100 -0.425 0.000 0.766 417 P CB -0.456 31.018 31.700 -0.377 0.000 0.876 418 T N -2.619 111.709 114.554 -0.376 0.000 2.898 418 T HA 0.118 4.468 4.350 0.000 0.000 0.301 418 T C 1.140 175.435 174.700 -0.676 0.000 1.049 418 T CA -0.662 61.160 62.100 -0.462 0.000 1.095 418 T CB 0.621 68.999 68.868 -0.816 0.000 0.976 418 T HN -0.188 nan 8.240 nan 0.000 0.539 419 L N 1.954 122.636 121.223 -0.901 0.000 2.013 419 L HA -0.023 4.317 4.340 0.000 0.000 0.212 419 L C 2.351 178.907 176.870 -0.522 0.000 1.073 419 L CA 1.815 56.105 54.840 -0.917 0.000 0.753 419 L CB -0.930 40.521 42.059 -1.014 0.000 0.890 419 L HN 0.932 nan 8.230 nan 0.000 0.432 420 W N -1.183 119.907 121.300 -0.350 0.000 2.453 420 W HA 0.162 4.822 4.660 0.000 0.000 0.289 420 W C 2.007 178.398 176.519 -0.214 0.000 1.215 420 W CA 0.649 57.830 57.345 -0.274 0.000 1.297 420 W CB -1.292 28.037 29.460 -0.218 0.000 1.113 420 W HN 0.290 nan 8.180 nan 0.000 0.551 421 A N 1.946 124.304 122.820 -0.771 0.000 1.930 421 A HA -0.131 4.189 4.320 0.000 0.000 0.217 421 A C 2.247 179.687 177.584 -0.241 0.000 1.175 421 A CA 1.747 53.486 52.037 -0.496 0.000 0.627 421 A CB -0.742 17.816 19.000 -0.736 0.000 0.815 421 A HN 0.302 nan 8.150 nan 0.000 0.443 422 R N -1.136 119.145 120.500 -0.365 0.000 2.062 422 R HA 0.081 4.421 4.340 0.000 0.000 0.229 422 R C 2.287 178.435 176.300 -0.252 0.000 1.128 422 R CA 1.593 57.500 56.100 -0.321 0.000 0.960 422 R CB -0.314 29.643 30.300 -0.572 0.000 0.855 422 R HN 0.494 nan 8.270 nan 0.000 0.432 423 M N -0.289 119.031 119.600 -0.467 0.000 2.236 423 M HA -0.036 4.444 4.480 0.000 0.000 0.266 423 M C 1.858 178.127 176.300 -0.053 0.000 1.070 423 M CA 1.553 56.662 55.300 -0.318 0.000 1.137 423 M CB 0.097 32.459 32.600 -0.397 0.000 1.378 423 M HN 0.139 nan 8.290 nan 0.000 0.426 424 I N -0.875 119.517 120.570 -0.296 0.000 3.196 424 I HA -0.092 4.078 4.170 0.000 0.000 0.248 424 I C 2.080 178.028 176.117 -0.283 0.000 1.105 424 I CA 0.217 61.062 61.300 -0.759 0.000 1.482 424 I CB -0.223 37.265 38.000 -0.853 0.000 1.400 424 I HN 0.103 nan 8.210 nan 0.000 0.464 425 L N 0.355 121.592 121.223 0.023 0.000 2.012 425 L HA -0.234 4.107 4.340 0.000 0.000 0.210 425 L C 2.683 179.841 176.870 0.481 0.000 1.073 425 L CA 1.746 56.791 54.840 0.342 0.000 0.748 425 L CB -0.469 41.839 42.059 0.415 0.000 0.891 425 L HN 0.306 nan 8.230 nan 0.000 0.431 426 M N -0.960 118.894 119.600 0.423 0.000 2.086 426 M HA -0.180 4.300 4.480 0.000 0.000 0.261 426 M C 2.331 179.133 176.300 0.837 0.000 1.067 426 M CA 2.054 57.712 55.300 0.598 0.000 1.116 426 M CB -0.605 32.144 32.600 0.249 0.000 1.348 426 M HN 0.252 nan 8.290 nan 0.000 0.407 427 T N -1.266 113.746 114.554 0.762 0.000 2.652 427 T HA -0.230 4.120 4.350 0.000 0.000 0.267 427 T C 1.662 176.652 174.700 0.484 0.000 1.039 427 T CA 1.941 64.454 62.100 0.688 0.000 1.153 427 T CB -0.545 68.770 68.868 0.744 0.000 0.863 427 T HN 0.445 nan 8.240 nan 0.000 0.428 428 H N 0.424 119.643 119.070 0.249 0.000 2.270 428 H HA 0.001 4.558 4.556 0.000 0.000 0.299 428 H C 1.802 176.987 175.328 -0.238 0.000 1.077 428 H CA 1.584 57.637 56.048 0.007 0.000 1.294 428 H CB -0.556 29.029 29.762 -0.296 0.000 1.371 428 H HN 0.348 nan 8.280 nan 0.000 0.491 429 F N -1.030 118.832 119.950 -0.147 0.000 2.259 429 F HA -0.015 4.513 4.527 0.000 0.000 0.298 429 F C 2.077 177.656 175.800 -0.369 0.000 1.088 429 F CA 0.552 58.208 58.000 -0.573 0.000 1.358 429 F CB -0.610 37.596 39.000 -1.323 0.000 1.040 429 F HN 0.135 nan 8.300 nan 0.000 0.505 430 F N -0.351 119.672 119.950 0.122 0.000 2.171 430 F HA -0.231 4.296 4.527 0.000 0.000 0.300 430 F C 2.781 178.602 175.800 0.036 0.000 1.090 430 F CA 1.644 59.739 58.000 0.158 0.000 1.293 430 F CB -0.947 38.260 39.000 0.346 0.000 1.013 430 F HN -0.066 nan 8.300 nan 0.000 0.486 431 S N 0.441 116.210 115.700 0.114 0.000 2.356 431 S HA -0.196 4.274 4.470 0.000 0.000 0.223 431 S C 2.141 176.698 174.600 -0.072 0.000 1.032 431 S CA 1.519 59.718 58.200 -0.001 0.000 1.005 431 S CB -0.524 62.661 63.200 -0.025 0.000 0.867 431 S HN 0.325 nan 8.310 nan 0.000 0.449 432 I N 1.376 121.835 120.570 -0.184 0.000 2.127 432 I HA -0.210 3.960 4.170 0.000 0.000 0.241 432 I C 2.269 178.337 176.117 -0.081 0.000 1.075 432 I CA 1.388 62.576 61.300 -0.186 0.000 1.334 432 I CB -0.383 37.427 38.000 -0.316 0.000 1.040 432 I HN 0.333 nan 8.210 nan 0.000 0.405 433 L N -0.069 121.108 121.223 -0.076 0.000 2.083 433 L HA -0.228 4.113 4.340 0.000 0.000 0.209 433 L C 2.535 179.415 176.870 0.016 0.000 1.083 433 L CA 1.172 55.996 54.840 -0.028 0.000 0.752 433 L CB -0.604 41.401 42.059 -0.090 0.000 0.899 433 L HN 0.296 nan 8.230 nan 0.000 0.433 434 L N -0.035 121.209 121.223 0.035 0.000 1.994 434 L HA -0.216 4.124 4.340 0.000 0.000 0.208 434 L C 2.879 179.762 176.870 0.022 0.000 1.071 434 L CA 1.405 56.276 54.840 0.050 0.000 0.745 434 L CB -0.604 41.489 42.059 0.056 0.000 0.892 434 L HN 0.250 nan 8.230 nan 0.000 0.431 435 A N -1.260 121.560 122.820 0.001 0.000 2.019 435 A HA -0.181 4.139 4.320 0.000 0.000 0.219 435 A C 2.062 179.650 177.584 0.005 0.000 1.164 435 A CA 1.224 53.258 52.037 -0.005 0.000 0.644 435 A CB -0.212 18.774 19.000 -0.023 0.000 0.805 435 A HN 0.425 nan 8.150 nan 0.000 0.449 436 Q N -0.698 119.109 119.800 0.012 0.000 2.360 436 Q HA 0.076 4.416 4.340 0.000 0.000 0.202 436 Q C -0.453 175.566 176.000 0.031 0.000 0.915 436 Q CA 0.313 56.132 55.803 0.026 0.000 0.943 436 Q CB 0.042 28.805 28.738 0.041 0.000 1.064 436 Q HN 0.771 nan 8.270 nan 0.000 0.511 437 E N 0.661 120.880 120.200 0.032 0.000 2.297 437 E HA -0.252 4.098 4.350 0.000 0.000 0.228 437 E C -0.261 176.366 176.600 0.044 0.000 1.213 437 E CA 0.272 56.695 56.400 0.038 0.000 0.712 437 E CB -1.064 28.654 29.700 0.031 0.000 1.202 437 E HN 0.421 nan 8.360 nan 0.000 0.376 438 Q N -0.435 119.395 119.800 0.049 0.000 2.135 438 Q HA 0.210 4.550 4.340 0.000 0.000 0.231 438 Q C 1.553 177.589 176.000 0.061 0.000 0.817 438 Q CA -0.256 55.580 55.803 0.055 0.000 1.073 438 Q CB 0.501 29.278 28.738 0.065 0.000 1.176 438 Q HN 0.376 nan 8.270 nan 0.000 0.478 439 L N 0.033 121.296 121.223 0.066 0.000 2.127 439 L HA -0.194 4.146 4.340 0.000 0.000 0.211 439 L C 1.911 178.835 176.870 0.090 0.000 1.089 439 L CA 1.302 56.193 54.840 0.085 0.000 0.757 439 L CB 0.016 42.157 42.059 0.137 0.000 0.899 439 L HN 0.242 nan 8.230 nan 0.000 0.434 440 E N 0.050 120.296 120.200 0.076 0.000 2.481 440 E HA -0.050 4.300 4.350 0.000 0.000 0.195 440 E C 0.708 177.344 176.600 0.059 0.000 1.047 440 E CA 0.082 56.523 56.400 0.068 0.000 0.867 440 E CB 0.285 30.019 29.700 0.056 0.000 0.858 440 E HN 0.099 nan 8.360 nan 0.000 0.513 441 K N 0.847 121.283 120.400 0.059 0.000 2.316 441 K HA 0.295 4.615 4.320 0.000 0.000 0.289 441 K C -0.718 175.914 176.600 0.053 0.000 1.070 441 K CA -0.285 56.033 56.287 0.052 0.000 0.928 441 K CB 0.631 33.162 32.500 0.052 0.000 1.039 441 K HN 0.056 nan 8.250 nan 0.000 0.480 442 A N 5.151 127.998 122.820 0.045 0.000 2.540 442 A HA 0.223 4.543 4.320 0.000 0.000 0.239 442 A C -0.434 177.165 177.584 0.024 0.000 1.061 442 A CA 0.079 52.141 52.037 0.041 0.000 0.758 442 A CB 0.077 19.106 19.000 0.050 0.000 0.991 442 A HN 0.772 nan 8.150 nan 0.000 0.502 443 L N 1.846 123.069 121.223 0.000 0.000 2.370 443 L HA 0.377 4.717 4.340 0.000 0.000 0.266 443 L C -0.799 176.030 176.870 -0.067 0.000 1.002 443 L CA -1.079 53.738 54.840 -0.038 0.000 0.818 443 L CB 2.048 44.066 42.059 -0.069 0.000 1.325 443 L HN 0.575 nan 8.230 nan 0.000 0.418 444 D N 1.329 121.675 120.400 -0.091 0.000 2.350 444 D HA 0.414 5.054 4.640 0.000 0.000 0.249 444 D C -0.401 175.822 176.300 -0.128 0.000 1.119 444 D CA 0.051 53.992 54.000 -0.097 0.000 0.886 444 D CB 1.301 41.985 40.800 -0.194 0.000 1.195 444 D HN 0.597 nan 8.370 nan 0.000 0.437 445 C N 0.666 119.914 119.300 -0.087 0.000 3.285 445 C HA 0.658 5.119 4.460 0.000 0.000 0.320 445 C C -1.110 173.862 174.990 -0.031 0.000 1.411 445 C CA -0.897 58.057 59.018 -0.108 0.000 1.429 445 C CB 1.731 29.357 27.740 -0.189 0.000 1.812 445 C HN 0.473 nan 8.230 nan 0.000 0.454 446 Q N 0.685 120.464 119.800 -0.036 0.000 2.330 446 Q HA 0.721 5.061 4.340 0.000 0.000 0.269 446 Q C -1.449 174.548 176.000 -0.005 0.000 1.022 446 Q CA -0.256 55.552 55.803 0.008 0.000 0.796 446 Q CB 2.439 31.183 28.738 0.011 0.000 1.271 446 Q HN 0.752 nan 8.270 nan 0.000 0.450 447 I N 2.492 123.072 120.570 0.017 0.000 2.478 447 I HA 0.191 4.361 4.170 0.000 0.000 0.287 447 I C -0.973 175.200 176.117 0.093 0.000 1.042 447 I CA -0.748 60.509 61.300 -0.073 0.000 1.067 447 I CB 1.260 39.021 38.000 -0.399 0.000 1.233 447 I HN 0.575 nan 8.210 nan 0.000 0.431 448 Y N 5.141 125.493 120.300 0.086 0.000 3.305 448 Y HA -0.249 4.301 4.550 0.000 0.000 0.212 448 Y C 1.499 177.347 175.900 -0.087 0.000 1.248 448 Y CA 1.069 59.163 58.100 -0.010 0.000 1.359 448 Y CB -2.001 36.461 38.460 0.002 0.000 1.407 448 Y HN 0.994 nan 8.280 nan 0.000 0.572 449 G N -2.069 106.804 108.800 0.122 0.000 2.245 449 G HA2 -0.051 3.909 3.960 0.000 0.000 0.264 449 G HA3 -0.051 3.909 3.960 0.000 0.000 0.264 449 G C 0.467 175.392 174.900 0.041 0.000 0.985 449 G CA 0.318 45.455 45.100 0.060 0.000 0.625 449 G HN 1.590 nan 8.290 nan 0.000 0.536 450 A N -0.696 122.153 122.820 0.048 0.000 2.303 450 A HA 0.675 4.995 4.320 0.000 0.000 0.317 450 A C 0.595 178.031 177.584 -0.247 0.000 1.149 450 A CA 0.367 52.297 52.037 -0.179 0.000 0.822 450 A CB 1.109 19.940 19.000 -0.282 0.000 1.131 450 A HN 1.541 nan 8.150 nan 0.000 0.493 451 C N 2.078 121.149 119.300 -0.382 0.000 2.365 451 C HA 0.806 5.266 4.460 0.000 0.000 0.351 451 C C -1.019 173.591 174.990 -0.635 0.000 1.240 451 C CA -0.462 58.413 59.018 -0.238 0.000 2.062 451 C CB -0.928 26.867 27.740 0.092 0.000 2.387 451 C HN 0.667 nan 8.230 nan 0.000 0.537 452 Y N 2.517 122.668 120.300 -0.248 0.000 2.512 452 Y HA 0.477 5.028 4.550 0.000 0.000 0.348 452 Y C 0.283 176.086 175.900 -0.161 0.000 0.990 452 Y CA -0.397 57.511 58.100 -0.320 0.000 1.033 452 Y CB 1.913 40.159 38.460 -0.356 0.000 1.259 452 Y HN 0.610 nan 8.280 nan 0.000 0.461 453 S N 3.628 119.338 115.700 0.017 0.000 2.433 453 S HA 0.758 5.228 4.470 0.000 0.000 0.310 453 S C -1.052 173.602 174.600 0.090 0.000 1.097 453 S CA -0.294 57.956 58.200 0.083 0.000 1.103 453 S CB -0.172 63.122 63.200 0.157 0.000 0.992 453 S HN 0.544 nan 8.310 nan 0.000 0.469 454 I N 3.790 124.395 120.570 0.059 0.000 2.569 454 I HA 0.322 4.492 4.170 0.000 0.000 0.290 454 I C -0.472 175.672 176.117 0.044 0.000 1.088 454 I CA -0.564 60.777 61.300 0.068 0.000 1.047 454 I CB 2.316 40.358 38.000 0.071 0.000 1.237 454 I HN 0.574 nan 8.210 nan 0.000 0.421 455 E N 7.131 127.370 120.200 0.065 0.000 2.194 455 E HA 0.175 4.525 4.350 0.000 0.000 0.284 455 E C -1.809 174.850 176.600 0.097 0.000 1.035 455 E CA -1.570 54.873 56.400 0.072 0.000 0.836 455 E CB 1.095 30.839 29.700 0.073 0.000 1.070 455 E HN 0.303 nan 8.360 nan 0.000 0.401 456 P HA -0.236 nan 4.420 nan 0.000 0.218 456 P C 1.103 178.580 177.300 0.295 0.000 1.154 456 P CA 1.276 64.476 63.100 0.166 0.000 0.872 456 P CB 0.186 31.913 31.700 0.046 0.000 0.790 457 L N -0.964 120.396 121.223 0.230 0.000 2.261 457 L HA -0.166 4.174 4.340 0.000 0.000 0.216 457 L C 1.501 178.469 176.870 0.163 0.000 1.114 457 L CA 1.265 56.242 54.840 0.229 0.000 0.777 457 L CB -0.747 41.407 42.059 0.158 0.000 0.910 457 L HN 0.008 nan 8.230 nan 0.000 0.440 458 D N -0.330 120.148 120.400 0.131 0.000 2.349 458 D HA -0.009 4.631 4.640 0.000 0.000 0.224 458 D C 2.266 178.617 176.300 0.085 0.000 1.029 458 D CA 0.352 54.397 54.000 0.076 0.000 0.879 458 D CB 0.273 41.101 40.800 0.046 0.000 0.906 458 D HN 0.308 nan 8.370 nan 0.000 0.528 459 L N 0.981 122.304 121.223 0.167 0.000 2.042 459 L HA -0.163 4.177 4.340 0.000 0.000 0.210 459 L C -0.471 176.493 176.870 0.157 0.000 1.076 459 L CA 1.505 56.459 54.840 0.190 0.000 0.749 459 L CB -1.429 40.824 42.059 0.323 0.000 0.893 459 L HN 0.053 nan 8.230 nan 0.000 0.432 460 P HA -0.184 nan 4.420 nan 0.000 0.215 460 P C 1.363 178.694 177.300 0.051 0.000 1.153 460 P CA 1.228 64.356 63.100 0.046 0.000 0.853 460 P CB 0.053 31.629 31.700 -0.208 0.000 0.788 461 Q N -0.779 118.999 119.800 -0.036 0.000 2.084 461 Q HA -0.094 4.246 4.340 0.000 0.000 0.202 461 Q C 2.187 178.149 176.000 -0.064 0.000 0.978 461 Q CA 1.294 57.058 55.803 -0.066 0.000 0.844 461 Q CB -0.919 27.767 28.738 -0.087 0.000 0.898 461 Q HN 0.260 nan 8.270 nan 0.000 0.426 462 I N -0.129 120.404 120.570 -0.061 0.000 2.252 462 I HA -0.250 3.921 4.170 0.000 0.000 0.245 462 I C 1.942 178.027 176.117 -0.052 0.000 1.102 462 I CA 1.075 62.290 61.300 -0.141 0.000 1.385 462 I CB -0.216 37.712 38.000 -0.119 0.000 1.064 462 I HN 0.187 nan 8.210 nan 0.000 0.414 463 I N 0.505 121.125 120.570 0.083 0.000 2.252 463 I HA -0.279 3.891 4.170 0.000 0.000 0.245 463 I C 2.625 178.764 176.117 0.037 0.000 1.102 463 I CA 1.378 62.757 61.300 0.131 0.000 1.385 463 I CB -0.367 37.713 38.000 0.134 0.000 1.064 463 I HN 0.279 nan 8.210 nan 0.000 0.414 464 E N 1.131 121.385 120.200 0.090 0.000 2.038 464 E HA -0.254 4.097 4.350 0.000 0.000 0.195 464 E C 2.418 179.007 176.600 -0.019 0.000 1.000 464 E CA 1.165 57.603 56.400 0.062 0.000 0.803 464 E CB 0.074 29.856 29.700 0.137 0.000 0.750 464 E HN 0.224 nan 8.360 nan 0.000 0.448 465 R N 0.007 120.470 120.500 -0.062 0.000 2.105 465 R HA -0.141 4.199 4.340 0.000 0.000 0.239 465 R C 2.360 178.589 176.300 -0.118 0.000 1.135 465 R CA 0.827 56.862 56.100 -0.107 0.000 0.967 465 R CB -0.628 29.562 30.300 -0.183 0.000 0.861 465 R HN 0.269 nan 8.270 nan 0.000 0.442 466 L N -0.556 120.574 121.223 -0.156 0.000 2.102 466 L HA -0.069 4.272 4.340 0.000 0.000 0.202 466 L C 2.042 178.684 176.870 -0.380 0.000 1.076 466 L CA 1.703 56.384 54.840 -0.264 0.000 0.761 466 L CB -0.443 41.398 42.059 -0.363 0.000 0.921 466 L HN 0.238 nan 8.230 nan 0.000 0.444 467 H N -1.675 117.341 119.070 -0.090 0.000 2.874 467 H HA 0.447 5.003 4.556 0.000 0.000 0.264 467 H C 1.012 176.267 175.328 -0.122 0.000 1.007 467 H CA 0.637 56.614 56.048 -0.118 0.000 1.207 467 H CB 0.574 30.227 29.762 -0.181 0.000 1.487 467 H HN 0.256 nan 8.280 nan 0.000 0.505 468 G N 0.977 109.767 108.800 -0.017 0.000 2.795 468 G HA2 -0.245 3.715 3.960 0.000 0.000 0.664 468 G HA3 -0.245 3.715 3.960 0.000 0.000 0.664 468 G C 0.611 175.481 174.900 -0.050 0.000 1.381 468 G CA -0.151 44.940 45.100 -0.016 0.000 0.853 468 G HN 0.248 nan 8.290 nan 0.000 0.545 469 L N 0.936 122.186 121.223 0.046 0.000 2.362 469 L HA -0.057 4.284 4.340 0.000 0.000 0.219 469 L C 3.124 180.039 176.870 0.076 0.000 1.134 469 L CA 2.076 57.019 54.840 0.171 0.000 0.807 469 L CB -0.360 41.838 42.059 0.232 0.000 0.927 469 L HN 0.891 nan 8.230 nan 0.000 0.447 470 S N -0.517 115.169 115.700 -0.023 0.000 2.447 470 S HA -0.098 4.372 4.470 0.000 0.000 0.233 470 S C 2.046 176.555 174.600 -0.152 0.000 1.006 470 S CA 0.661 58.831 58.200 -0.050 0.000 0.957 470 S CB -0.209 62.960 63.200 -0.052 0.000 0.773 470 S HN 0.350 nan 8.310 nan 0.000 0.507 471 A N 0.667 123.297 122.820 -0.317 0.000 2.125 471 A HA 0.190 4.510 4.320 0.000 0.000 0.219 471 A C 1.442 178.789 177.584 -0.395 0.000 1.156 471 A CA 0.832 52.596 52.037 -0.455 0.000 0.671 471 A CB -0.825 17.798 19.000 -0.628 0.000 0.794 471 A HN 0.591 nan 8.150 nan 0.000 0.459 472 F N -0.020 119.945 119.950 0.024 0.000 2.765 472 F HA 0.113 4.640 4.527 0.000 0.000 0.302 472 F C 1.703 177.551 175.800 0.080 0.000 1.111 472 F CA 0.625 58.668 58.000 0.073 0.000 1.359 472 F CB 0.096 39.177 39.000 0.136 0.000 1.097 472 F HN 0.238 nan 8.300 nan 0.000 0.577 473 S N -1.416 114.381 115.700 0.162 0.000 2.960 473 S HA 0.324 4.794 4.470 0.000 0.000 0.256 473 S C 0.007 174.656 174.600 0.082 0.000 1.017 473 S CA -0.392 57.894 58.200 0.144 0.000 1.144 473 S CB -0.634 62.649 63.200 0.139 0.000 1.109 473 S HN 0.034 nan 8.310 nan 0.000 0.638 474 L N 4.189 125.379 121.223 -0.055 0.000 2.461 474 L HA 0.425 4.765 4.340 0.000 0.000 0.272 474 L C 0.868 177.597 176.870 -0.235 0.000 1.197 474 L CA 0.057 54.742 54.840 -0.258 0.000 0.836 474 L CB 0.199 41.977 42.059 -0.468 0.000 1.105 474 L HN 0.588 nan 8.230 nan 0.000 0.477 475 H N -0.578 118.261 119.070 -0.385 0.000 2.905 475 H HA 0.208 4.764 4.556 0.000 0.000 0.280 475 H C -0.350 174.799 175.328 -0.298 0.000 1.445 475 H CA -0.738 55.133 56.048 -0.295 0.000 1.165 475 H CB 1.376 31.096 29.762 -0.070 0.000 1.857 475 H HN 0.448 nan 8.280 nan 0.000 0.567 476 S N 0.037 115.782 115.700 0.074 0.000 3.608 476 S HA -0.219 4.251 4.470 0.000 0.000 0.382 476 S C -0.501 174.119 174.600 0.033 0.000 0.945 476 S CA 0.515 58.782 58.200 0.112 0.000 1.256 476 S CB -2.404 60.872 63.200 0.126 0.000 0.913 476 S HN 0.440 nan 8.310 nan 0.000 0.518 477 Y N 1.724 122.069 120.300 0.075 0.000 2.385 477 Y HA 0.258 4.808 4.550 0.000 0.000 0.346 477 Y C 1.396 177.353 175.900 0.095 0.000 1.270 477 Y CA 0.462 58.605 58.100 0.072 0.000 1.472 477 Y CB 0.358 38.852 38.460 0.056 0.000 1.354 477 Y HN 0.521 nan 8.280 nan 0.000 0.611 478 S N 1.398 117.257 115.700 0.265 0.000 2.592 478 S HA 0.177 4.647 4.470 0.000 0.000 0.271 478 S C -2.025 172.661 174.600 0.142 0.000 1.326 478 S CA -1.160 57.138 58.200 0.162 0.000 1.024 478 S CB 1.318 64.590 63.200 0.119 0.000 0.921 478 S HN 0.427 nan 8.310 nan 0.000 0.527 479 P HA 0.025 nan 4.420 nan 0.000 0.218 479 P C 1.684 179.026 177.300 0.070 0.000 1.148 479 P CA 1.508 64.657 63.100 0.083 0.000 0.822 479 P CB -0.420 31.319 31.700 0.065 0.000 0.784 480 G N 0.017 108.856 108.800 0.064 0.000 2.421 480 G HA2 -0.284 3.677 3.960 0.000 0.000 0.216 480 G HA3 -0.284 3.677 3.960 0.000 0.000 0.216 480 G C 1.675 176.605 174.900 0.051 0.000 1.171 480 G CA 0.931 46.060 45.100 0.047 0.000 0.775 480 G HN 0.261 nan 8.290 nan 0.000 0.543 481 E N 0.766 121.016 120.200 0.082 0.000 2.028 481 E HA -0.044 4.306 4.350 0.000 0.000 0.191 481 E C 2.499 179.140 176.600 0.069 0.000 0.988 481 E CA 0.774 57.231 56.400 0.096 0.000 0.799 481 E CB -0.463 29.348 29.700 0.185 0.000 0.755 481 E HN 0.470 nan 8.360 nan 0.000 0.447 482 I N 1.059 121.678 120.570 0.082 0.000 2.145 482 I HA -0.368 3.802 4.170 0.000 0.000 0.244 482 I C 2.021 178.161 176.117 0.038 0.000 1.075 482 I CA 1.483 62.815 61.300 0.054 0.000 1.332 482 I CB -0.585 37.465 38.000 0.083 0.000 1.033 482 I HN 0.184 nan 8.210 nan 0.000 0.410 483 N N 0.613 119.337 118.700 0.041 0.000 2.120 483 N HA -0.195 4.545 4.740 0.000 0.000 0.188 483 N C 1.899 177.416 175.510 0.012 0.000 1.024 483 N CA 1.202 54.269 53.050 0.028 0.000 0.852 483 N CB -0.468 38.037 38.487 0.030 0.000 1.003 483 N HN 0.370 nan 8.380 nan 0.000 0.424 484 R N 0.928 121.431 120.500 0.004 0.000 2.081 484 R HA -0.039 4.301 4.340 0.000 0.000 0.235 484 R C 1.829 178.101 176.300 -0.046 0.000 1.131 484 R CA 0.939 57.025 56.100 -0.023 0.000 0.960 484 R CB -0.148 30.132 30.300 -0.033 0.000 0.856 484 R HN -0.039 nan 8.270 nan 0.000 0.436 485 V N 1.159 121.052 119.914 -0.035 0.000 2.237 485 V HA -0.234 3.887 4.120 0.000 0.000 0.245 485 V C 2.520 178.601 176.094 -0.022 0.000 1.046 485 V CA 2.041 64.313 62.300 -0.047 0.000 1.007 485 V CB -0.910 30.910 31.823 -0.005 0.000 0.638 485 V HN 0.577 nan 8.190 nan 0.000 0.445 486 A N -0.540 122.284 122.820 0.006 0.000 1.940 486 A HA -0.265 4.055 4.320 0.000 0.000 0.219 486 A C 2.565 180.161 177.584 0.019 0.000 1.176 486 A CA 2.437 54.489 52.037 0.025 0.000 0.631 486 A CB -0.763 18.258 19.000 0.036 0.000 0.814 486 A HN 0.534 nan 8.150 nan 0.000 0.446 487 S N -1.337 114.367 115.700 0.007 0.000 2.371 487 S HA -0.185 4.285 4.470 0.000 0.000 0.224 487 S C 2.089 176.690 174.600 0.001 0.000 1.029 487 S CA 1.445 59.650 58.200 0.008 0.000 0.978 487 S CB -1.001 62.201 63.200 0.003 0.000 0.833 487 S HN 0.786 nan 8.310 nan 0.000 0.466 488 C N 1.755 121.040 119.300 -0.026 0.000 2.413 488 C HA -0.021 4.439 4.460 0.000 0.000 0.276 488 C C 2.530 177.510 174.990 -0.017 0.000 1.236 488 C CA 1.162 60.156 59.018 -0.041 0.000 1.735 488 C CB -1.787 25.890 27.740 -0.106 0.000 2.031 488 C HN 0.703 nan 8.230 nan 0.000 0.474 489 L N 0.318 121.537 121.223 -0.007 0.000 2.046 489 L HA -0.135 4.205 4.340 0.000 0.000 0.208 489 L C 3.028 179.906 176.870 0.013 0.000 1.077 489 L CA 1.848 56.697 54.840 0.016 0.000 0.747 489 L CB -0.945 41.149 42.059 0.057 0.000 0.896 489 L HN 0.352 nan 8.230 nan 0.000 0.432 490 R N 0.245 120.763 120.500 0.030 0.000 2.096 490 R HA -0.175 4.166 4.340 0.000 0.000 0.235 490 R C 2.394 178.754 176.300 0.100 0.000 1.127 490 R CA 1.220 57.351 56.100 0.051 0.000 0.968 490 R CB -0.252 30.080 30.300 0.054 0.000 0.861 490 R HN 0.314 nan 8.270 nan 0.000 0.440 491 K N 0.974 121.426 120.400 0.086 0.000 2.026 491 K HA -0.122 4.199 4.320 0.000 0.000 0.208 491 K C 1.776 178.517 176.600 0.235 0.000 1.048 491 K CA 1.284 57.652 56.287 0.135 0.000 0.929 491 K CB 0.034 32.578 32.500 0.073 0.000 0.713 491 K HN 0.154 nan 8.250 nan 0.000 0.439 492 L N -0.504 120.768 121.223 0.081 0.000 2.567 492 L HA 0.152 4.492 4.340 0.000 0.000 0.225 492 L C 0.810 177.472 176.870 -0.347 0.000 1.119 492 L CA 0.366 55.218 54.840 0.019 0.000 0.871 492 L CB 0.384 42.451 42.059 0.013 0.000 1.036 492 L HN 0.475 nan 8.230 nan 0.000 0.459 493 G N 1.031 109.497 108.800 -0.558 0.000 2.256 493 G HA2 -0.218 3.743 3.960 0.000 0.000 0.272 493 G HA3 -0.218 3.743 3.960 0.000 0.000 0.272 493 G C -0.100 174.630 174.900 -0.283 0.000 1.076 493 G CA -0.016 44.625 45.100 -0.764 0.000 0.882 493 G HN 0.079 nan 8.290 nan 0.000 0.497 494 V N 0.816 120.668 119.914 -0.103 0.000 2.509 494 V HA 0.427 4.547 4.120 0.000 0.000 0.284 494 V C -1.198 174.960 176.094 0.107 0.000 1.047 494 V CA -1.599 60.736 62.300 0.059 0.000 0.952 494 V CB 1.568 33.459 31.823 0.113 0.000 0.988 494 V HN 0.211 nan 8.190 nan 0.000 0.469 495 P HA 0.114 nan 4.420 nan 0.000 0.266 495 P C -2.482 174.923 177.300 0.175 0.000 1.193 495 P CA -0.683 62.432 63.100 0.025 0.000 0.770 495 P CB -0.177 31.378 31.700 -0.242 0.000 0.836 496 P HA 0.068 nan 4.420 nan 0.000 0.272 496 P C 0.862 178.324 177.300 0.269 0.000 1.230 496 P CA -0.040 63.155 63.100 0.159 0.000 0.788 496 P CB 0.709 32.457 31.700 0.080 0.000 0.949 497 L N 1.076 122.472 121.223 0.289 0.000 2.129 497 L HA -0.235 4.105 4.340 0.000 0.000 0.212 497 L C 2.838 179.892 176.870 0.307 0.000 1.087 497 L CA 1.859 56.907 54.840 0.346 0.000 0.757 497 L CB -0.956 41.215 42.059 0.186 0.000 0.896 497 L HN 0.476 nan 8.230 nan 0.000 0.434 498 R N -0.180 120.436 120.500 0.194 0.000 2.127 498 R HA -0.122 4.218 4.340 0.000 0.000 0.238 498 R C 1.942 178.324 176.300 0.136 0.000 1.134 498 R CA 1.575 57.768 56.100 0.155 0.000 0.975 498 R CB -1.040 29.313 30.300 0.089 0.000 0.865 498 R HN 0.167 nan 8.270 nan 0.000 0.447 499 V N 0.290 120.237 119.914 0.055 0.000 2.379 499 V HA -0.153 3.968 4.120 0.000 0.000 0.245 499 V C 1.923 177.988 176.094 -0.049 0.000 1.044 499 V CA 1.641 63.890 62.300 -0.085 0.000 1.036 499 V CB -0.652 31.000 31.823 -0.286 0.000 0.664 499 V HN 0.381 nan 8.190 nan 0.000 0.453 500 W N 0.118 121.523 121.300 0.175 0.000 2.388 500 W HA -0.090 4.570 4.660 0.000 0.000 0.294 500 W C 2.729 179.454 176.519 0.344 0.000 1.212 500 W CA 1.341 58.829 57.345 0.238 0.000 1.271 500 W CB -0.273 29.322 29.460 0.226 0.000 1.126 500 W HN 0.030 nan 8.180 nan 0.000 0.535 501 R N -0.286 120.551 120.500 0.562 0.000 2.081 501 R HA -0.229 4.111 4.340 0.000 0.000 0.235 501 R C 2.039 178.478 176.300 0.233 0.000 1.131 501 R CA 2.099 58.499 56.100 0.500 0.000 0.960 501 R CB -0.647 29.923 30.300 0.450 0.000 0.856 501 R HN 0.261 nan 8.270 nan 0.000 0.436 502 H N 0.290 119.424 119.070 0.106 0.000 2.293 502 H HA -0.056 4.500 4.556 0.000 0.000 0.300 502 H C 2.042 177.359 175.328 -0.019 0.000 1.082 502 H CA 2.250 58.306 56.048 0.013 0.000 1.308 502 H CB 0.103 29.853 29.762 -0.020 0.000 1.375 502 H HN 0.115 nan 8.280 nan 0.000 0.495 503 R N -0.256 120.271 120.500 0.045 0.000 2.120 503 R HA -0.062 4.279 4.340 0.000 0.000 0.234 503 R C 2.491 178.739 176.300 -0.087 0.000 1.123 503 R CA 0.927 57.010 56.100 -0.028 0.000 0.975 503 R CB -0.225 30.094 30.300 0.033 0.000 0.866 503 R HN 0.391 nan 8.270 nan 0.000 0.446 504 A N 1.199 124.003 122.820 -0.027 0.000 1.969 504 A HA -0.134 4.186 4.320 0.000 0.000 0.218 504 A C 2.029 179.344 177.584 -0.448 0.000 1.169 504 A CA 0.963 52.850 52.037 -0.249 0.000 0.635 504 A CB -0.249 18.663 19.000 -0.145 0.000 0.810 504 A HN 0.205 nan 8.150 nan 0.000 0.445 505 R N -0.448 119.851 120.500 -0.335 0.000 2.081 505 R HA -0.119 4.222 4.340 0.000 0.000 0.235 505 R C 2.662 178.779 176.300 -0.305 0.000 1.131 505 R CA 1.588 57.498 56.100 -0.317 0.000 0.960 505 R CB -0.447 29.693 30.300 -0.265 0.000 0.856 505 R HN 0.575 nan 8.270 nan 0.000 0.436 506 S N 0.374 115.891 115.700 -0.304 0.000 2.348 506 S HA -0.110 4.360 4.470 0.000 0.000 0.221 506 S C 2.094 176.549 174.600 -0.242 0.000 1.033 506 S CA 1.401 59.454 58.200 -0.245 0.000 1.010 506 S CB -0.224 62.842 63.200 -0.223 0.000 0.891 506 S HN 0.121 nan 8.310 nan 0.000 0.442 507 V N 2.596 122.328 119.914 -0.304 0.000 2.332 507 V HA -0.173 3.947 4.120 0.000 0.000 0.248 507 V C 2.785 178.616 176.094 -0.439 0.000 1.055 507 V CA 2.316 64.401 62.300 -0.358 0.000 1.038 507 V CB -0.914 30.615 31.823 -0.490 0.000 0.651 507 V HN 0.516 nan 8.190 nan 0.000 0.450 508 R N 0.149 120.312 120.500 -0.561 0.000 2.080 508 R HA -0.207 4.134 4.340 0.000 0.000 0.236 508 R C 2.347 178.525 176.300 -0.204 0.000 1.137 508 R CA 1.898 57.772 56.100 -0.377 0.000 0.943 508 R CB -0.523 29.579 30.300 -0.330 0.000 0.846 508 R HN 0.482 nan 8.270 nan 0.000 0.431 509 A N 1.118 123.823 122.820 -0.192 0.000 1.883 509 A HA -0.193 4.127 4.320 0.000 0.000 0.217 509 A C 2.213 179.739 177.584 -0.096 0.000 1.186 509 A CA 1.670 53.630 52.037 -0.129 0.000 0.624 509 A CB -0.524 18.400 19.000 -0.127 0.000 0.822 509 A HN 0.401 nan 8.150 nan 0.000 0.444 510 R N -0.642 119.797 120.500 -0.102 0.000 2.091 510 R HA -0.091 4.249 4.340 0.000 0.000 0.238 510 R C 2.090 178.372 176.300 -0.030 0.000 1.136 510 R CA 1.575 57.638 56.100 -0.061 0.000 0.959 510 R CB -0.551 29.713 30.300 -0.059 0.000 0.856 510 R HN 0.519 nan 8.270 nan 0.000 0.437 511 L N 0.386 121.588 121.223 -0.035 0.000 2.056 511 L HA -0.180 4.161 4.340 0.000 0.000 0.207 511 L C 2.308 179.183 176.870 0.009 0.000 1.078 511 L CA 1.159 56.008 54.840 0.016 0.000 0.749 511 L CB -0.368 41.711 42.059 0.033 0.000 0.901 511 L HN 0.182 nan 8.230 nan 0.000 0.433 512 L N -1.164 120.046 121.223 -0.020 0.000 2.131 512 L HA -0.198 4.143 4.340 0.000 0.000 0.210 512 L C 2.684 179.546 176.870 -0.014 0.000 1.092 512 L CA 0.904 55.733 54.840 -0.020 0.000 0.759 512 L CB -0.530 41.504 42.059 -0.042 0.000 0.903 512 L HN 0.159 nan 8.230 nan 0.000 0.435 513 S N -0.654 115.034 115.700 -0.019 0.000 2.370 513 S HA -0.285 4.185 4.470 0.000 0.000 0.226 513 S C 1.960 176.561 174.600 0.001 0.000 1.033 513 S CA 1.362 59.554 58.200 -0.013 0.000 1.011 513 S CB -0.221 62.968 63.200 -0.019 0.000 0.852 513 S HN 0.380 nan 8.310 nan 0.000 0.457 514 Q N 0.688 120.495 119.800 0.012 0.000 2.297 514 Q HA 0.085 4.425 4.340 0.000 0.000 0.208 514 Q C 0.924 176.940 176.000 0.026 0.000 0.981 514 Q CA 0.857 56.675 55.803 0.025 0.000 0.876 514 Q CB -0.537 28.228 28.738 0.045 0.000 0.921 514 Q HN 0.555 nan 8.270 nan 0.000 0.446 515 G N -2.310 106.503 108.800 0.022 0.000 2.855 515 G HA2 0.052 4.013 3.960 0.000 0.000 0.352 515 G HA3 0.052 4.013 3.960 0.000 0.000 0.352 515 G C 0.508 175.427 174.900 0.032 0.000 1.415 515 G CA -0.310 44.803 45.100 0.021 0.000 0.871 515 G HN 1.098 nan 8.290 nan 0.000 0.543 516 G N -0.471 108.346 108.800 0.028 0.000 2.594 516 G HA2 -0.266 3.694 3.960 0.000 0.000 0.297 516 G HA3 -0.266 3.694 3.960 0.000 0.000 0.297 516 G C 1.268 176.193 174.900 0.042 0.000 1.273 516 G CA 1.327 46.447 45.100 0.032 0.000 0.974 516 G HN 1.476 nan 8.290 nan 0.000 0.552 517 R N 0.115 120.642 120.500 0.046 0.000 2.139 517 R HA -0.089 4.251 4.340 0.000 0.000 0.243 517 R C 3.183 179.532 176.300 0.082 0.000 1.145 517 R CA 2.147 58.280 56.100 0.055 0.000 0.976 517 R CB -0.642 29.694 30.300 0.059 0.000 0.866 517 R HN 0.698 nan 8.270 nan 0.000 0.449 518 A N 0.786 123.662 122.820 0.093 0.000 1.930 518 A HA -0.067 4.254 4.320 0.000 0.000 0.217 518 A C 2.322 179.959 177.584 0.088 0.000 1.175 518 A CA 1.519 53.629 52.037 0.122 0.000 0.627 518 A CB -0.441 18.631 19.000 0.119 0.000 0.815 518 A HN 0.396 nan 8.150 nan 0.000 0.443 519 A N -0.794 122.061 122.820 0.059 0.000 1.898 519 A HA -0.070 4.250 4.320 0.000 0.000 0.216 519 A C 2.275 179.887 177.584 0.048 0.000 1.181 519 A CA 2.220 54.281 52.037 0.039 0.000 0.620 519 A CB -1.284 17.731 19.000 0.025 0.000 0.819 519 A HN 0.426 nan 8.150 nan 0.000 0.442 520 T N -0.539 114.055 114.554 0.067 0.000 2.720 520 T HA -0.222 4.129 4.350 0.000 0.000 0.268 520 T C 1.893 176.648 174.700 0.090 0.000 1.037 520 T CA 1.624 63.789 62.100 0.108 0.000 1.144 520 T CB -0.777 68.118 68.868 0.046 0.000 0.864 520 T HN 0.584 nan 8.240 nan 0.000 0.444 521 C N 1.361 120.685 119.300 0.040 0.000 2.432 521 C HA 0.033 4.493 4.460 0.000 0.000 0.277 521 C C 3.120 178.100 174.990 -0.016 0.000 1.249 521 C CA 0.431 59.425 59.018 -0.041 0.000 1.725 521 C CB -1.594 26.115 27.740 -0.051 0.000 2.028 521 C HN 0.734 nan 8.230 nan 0.000 0.477 522 G N 0.285 109.115 108.800 0.051 0.000 2.459 522 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 522 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 522 G C 1.610 176.533 174.900 0.037 0.000 1.183 522 G CA 1.303 46.454 45.100 0.086 0.000 0.776 522 G HN 0.637 nan 8.290 nan 0.000 0.552 523 K N -0.810 119.572 120.400 -0.030 0.000 2.009 523 K HA -0.119 4.201 4.320 0.000 0.000 0.210 523 K C 2.290 178.717 176.600 -0.288 0.000 1.049 523 K CA 1.509 57.699 56.287 -0.160 0.000 0.929 523 K CB -0.310 32.078 32.500 -0.187 0.000 0.714 523 K HN 0.446 nan 8.250 nan 0.000 0.440 524 Y N 0.557 120.674 120.300 -0.305 0.000 2.231 524 Y HA 0.002 4.553 4.550 0.000 0.000 0.294 524 Y C 2.070 177.687 175.900 -0.472 0.000 1.120 524 Y CA 0.739 58.481 58.100 -0.597 0.000 1.141 524 Y CB -0.002 37.812 38.460 -1.077 0.000 1.022 524 Y HN -0.040 nan 8.280 nan 0.000 0.523 525 L N -1.590 119.492 121.223 -0.236 0.000 2.131 525 L HA -0.171 4.170 4.340 0.000 0.000 0.210 525 L C 0.734 177.339 176.870 -0.442 0.000 1.092 525 L CA 1.458 56.104 54.840 -0.323 0.000 0.759 525 L CB -0.360 41.271 42.059 -0.713 0.000 0.903 525 L HN 0.220 nan 8.230 nan 0.000 0.435 526 F N -1.650 118.239 119.950 -0.101 0.000 2.698 526 F HA 0.178 4.706 4.527 0.000 0.000 0.304 526 F C 1.588 177.086 175.800 -0.502 0.000 1.108 526 F CA -0.423 57.313 58.000 -0.439 0.000 1.263 526 F CB -0.485 38.258 39.000 -0.428 0.000 1.013 526 F HN -0.081 nan 8.300 nan 0.000 0.532 527 N N 1.132 119.764 118.700 -0.114 0.000 2.348 527 N HA -0.203 4.538 4.740 0.000 0.000 0.185 527 N C 1.975 177.477 175.510 -0.013 0.000 1.019 527 N CA 1.659 54.659 53.050 -0.083 0.000 0.880 527 N CB -0.190 38.263 38.487 -0.056 0.000 0.965 527 N HN 0.547 nan 8.380 nan 0.000 0.437 528 W N -0.602 120.747 121.300 0.082 0.000 2.465 528 W HA 0.129 4.790 4.660 0.000 0.000 0.268 528 W C 1.293 177.874 176.519 0.102 0.000 1.242 528 W CA 0.696 58.097 57.345 0.094 0.000 1.248 528 W CB -0.797 28.731 29.460 0.113 0.000 1.118 528 W HN 0.056 nan 8.180 nan 0.000 0.587 529 A N 1.131 123.643 122.820 -0.513 0.000 2.132 529 A HA 0.202 4.522 4.320 0.000 0.000 0.213 529 A C 0.959 178.432 177.584 -0.185 0.000 1.154 529 A CA 0.463 52.209 52.037 -0.484 0.000 0.753 529 A CB -0.503 17.930 19.000 -0.945 0.000 0.826 529 A HN 0.044 nan 8.150 nan 0.000 0.469 530 V N 0.590 120.415 119.914 -0.148 0.000 2.509 530 V HA 0.189 4.309 4.120 0.000 0.000 0.284 530 V C 0.878 176.953 176.094 -0.033 0.000 1.047 530 V CA -0.476 61.769 62.300 -0.092 0.000 0.952 530 V CB 1.313 33.071 31.823 -0.107 0.000 0.988 530 V HN 0.522 nan 8.190 nan 0.000 0.469 531 K N 2.633 123.020 120.400 -0.022 0.000 2.062 531 K HA -0.017 4.303 4.320 0.000 0.000 0.205 531 K C 0.837 177.429 176.600 -0.015 0.000 1.051 531 K CA 1.262 57.546 56.287 -0.004 0.000 0.941 531 K CB 0.003 32.502 32.500 -0.001 0.000 0.719 531 K HN 0.678 nan 8.250 nan 0.000 0.440 532 T N 2.255 116.794 114.554 -0.026 0.000 2.853 532 T HA 0.192 4.542 4.350 0.000 0.000 0.317 532 T C -0.804 173.872 174.700 -0.039 0.000 1.059 532 T CA -0.751 61.331 62.100 -0.030 0.000 0.954 532 T CB 0.359 69.210 68.868 -0.029 0.000 0.994 532 T HN -0.049 nan 8.240 nan 0.000 0.479 533 K N 3.681 124.059 120.400 -0.036 0.000 2.118 533 K HA 0.452 4.772 4.320 0.000 0.000 0.267 533 K C -0.360 176.205 176.600 -0.058 0.000 0.991 533 K CA -0.949 55.310 56.287 -0.046 0.000 0.916 533 K CB 1.165 33.650 32.500 -0.026 0.000 1.041 533 K HN 0.343 nan 8.250 nan 0.000 0.455 534 L N 2.019 123.191 121.223 -0.085 0.000 2.436 534 L HA 0.154 4.494 4.340 0.000 0.000 0.265 534 L C 0.238 177.047 176.870 -0.103 0.000 1.168 534 L CA 0.055 54.833 54.840 -0.103 0.000 0.815 534 L CB 0.140 42.109 42.059 -0.150 0.000 1.109 534 L HN 0.401 nan 8.230 nan 0.000 0.462 535 K N 1.837 122.184 120.400 -0.087 0.000 2.258 535 K HA 0.438 4.758 4.320 0.000 0.000 0.284 535 K C -1.125 175.412 176.600 -0.105 0.000 1.051 535 K CA 0.113 56.360 56.287 -0.066 0.000 0.923 535 K CB 0.249 32.730 32.500 -0.032 0.000 1.046 535 K HN 0.428 nan 8.250 nan 0.000 0.474 536 L N 4.471 125.643 121.223 -0.086 0.000 2.275 536 L HA 0.398 4.738 4.340 0.000 0.000 0.288 536 L C 0.367 177.290 176.870 0.088 0.000 1.046 536 L CA -0.686 54.093 54.840 -0.101 0.000 0.805 536 L CB 1.320 43.326 42.059 -0.088 0.000 1.193 536 L HN 0.794 nan 8.230 nan 0.000 0.426 537 T N 0.526 115.176 114.554 0.159 0.000 2.932 537 T HA 0.572 4.923 4.350 0.000 0.000 0.289 537 T C -2.691 172.140 174.700 0.219 0.000 1.039 537 T CA -2.473 59.722 62.100 0.158 0.000 1.024 537 T CB 1.785 70.712 68.868 0.099 0.000 1.090 537 T HN 0.175 nan 8.240 nan 0.000 0.496 538 P HA 0.183 nan 4.420 nan 0.000 0.261 538 P C -0.605 176.716 177.300 0.035 0.000 1.183 538 P CA -0.221 62.922 63.100 0.072 0.000 0.761 538 P CB 0.063 31.790 31.700 0.045 0.000 0.785 539 I N 7.487 128.019 120.570 -0.063 0.000 2.371 539 I HA 0.169 4.340 4.170 0.000 0.000 0.290 539 I C -1.159 174.919 176.117 -0.066 0.000 1.028 539 I CA -2.585 58.655 61.300 -0.100 0.000 1.345 539 I CB 1.004 38.827 38.000 -0.294 0.000 1.407 539 I HN 0.367 nan 8.210 nan 0.000 0.501 540 P HA -0.209 nan 4.420 nan 0.000 0.216 540 P C 1.141 178.418 177.300 -0.039 0.000 1.150 540 P CA 1.628 64.712 63.100 -0.027 0.000 0.843 540 P CB -0.019 31.673 31.700 -0.014 0.000 0.787 541 A N 0.370 123.161 122.820 -0.048 0.000 2.070 541 A HA 0.009 4.329 4.320 0.000 0.000 0.220 541 A C 2.397 179.943 177.584 -0.063 0.000 1.159 541 A CA 1.654 53.662 52.037 -0.049 0.000 0.656 541 A CB -1.300 17.672 19.000 -0.046 0.000 0.800 541 A HN 0.250 nan 8.150 nan 0.000 0.453 542 A N -0.725 122.049 122.820 -0.076 0.000 2.121 542 A HA 0.037 4.358 4.320 0.000 0.000 0.218 542 A C 2.301 179.835 177.584 -0.083 0.000 1.154 542 A CA 1.816 53.801 52.037 -0.087 0.000 0.679 542 A CB -0.394 18.554 19.000 -0.087 0.000 0.795 542 A HN 0.450 nan 8.150 nan 0.000 0.458 543 S N -1.110 114.552 115.700 -0.063 0.000 2.384 543 S HA -0.072 4.399 4.470 0.000 0.000 0.217 543 S C 2.009 176.575 174.600 -0.056 0.000 1.041 543 S CA 0.889 59.056 58.200 -0.055 0.000 0.948 543 S CB -0.318 62.859 63.200 -0.038 0.000 0.872 543 S HN 0.681 nan 8.310 nan 0.000 0.512 544 Q N 0.225 119.998 119.800 -0.046 0.000 2.291 544 Q HA 0.091 4.431 4.340 0.000 0.000 0.206 544 Q C 0.295 176.268 176.000 -0.045 0.000 0.976 544 Q CA 0.660 56.440 55.803 -0.038 0.000 0.875 544 Q CB 0.056 28.778 28.738 -0.028 0.000 0.927 544 Q HN 0.334 nan 8.270 nan 0.000 0.450 545 L N 2.907 124.096 121.223 -0.058 0.000 2.314 545 L HA 0.174 4.515 4.340 0.000 0.000 0.275 545 L C -0.869 175.938 176.870 -0.105 0.000 1.068 545 L CA -0.878 53.921 54.840 -0.068 0.000 0.894 545 L CB 0.332 42.354 42.059 -0.061 0.000 1.275 545 L HN 0.207 nan 8.230 nan 0.000 0.432 546 D N 4.189 124.529 120.400 -0.101 0.000 2.368 546 D HA 0.025 4.666 4.640 0.000 0.000 0.240 546 D C 0.046 176.228 176.300 -0.197 0.000 1.169 546 D CA -0.202 53.716 54.000 -0.137 0.000 0.906 546 D CB 1.275 42.017 40.800 -0.096 0.000 1.187 546 D HN 0.349 nan 8.370 nan 0.000 0.435 547 L N 1.472 122.509 121.223 -0.309 0.000 2.449 547 L HA 0.150 4.490 4.340 0.000 0.000 0.255 547 L C 0.050 176.755 176.870 -0.276 0.000 1.167 547 L CA -0.535 53.983 54.840 -0.537 0.000 1.090 547 L CB -0.059 41.351 42.059 -1.081 0.000 1.385 547 L HN 0.202 nan 8.230 nan 0.000 0.411 548 S N 1.313 116.965 115.700 -0.080 0.000 2.516 548 S HA 0.279 4.749 4.470 0.000 0.000 0.282 548 S C 1.246 175.889 174.600 0.071 0.000 1.286 548 S CA 0.288 58.485 58.200 -0.004 0.000 1.066 548 S CB 1.032 64.222 63.200 -0.017 0.000 0.884 548 S HN 0.900 nan 8.310 nan 0.000 0.491 549 G N 2.186 111.012 108.800 0.044 0.000 2.179 549 G HA2 -0.254 3.706 3.960 0.000 0.000 0.257 549 G HA3 -0.254 3.706 3.960 0.000 0.000 0.257 549 G C 0.494 175.453 174.900 0.098 0.000 1.010 549 G CA 0.231 45.345 45.100 0.024 0.000 0.736 549 G HN 0.754 nan 8.290 nan 0.000 0.513 550 W N -0.423 120.732 121.300 -0.241 0.000 2.407 550 W HA 0.424 5.084 4.660 0.000 0.000 0.305 550 W C 1.048 177.181 176.519 -0.643 0.000 1.196 550 W CA 1.149 58.159 57.345 -0.559 0.000 1.311 550 W CB -0.093 28.793 29.460 -0.956 0.000 1.135 550 W HN 0.229 nan 8.180 nan 0.000 0.514 551 F N -0.325 119.802 119.950 0.294 0.000 2.453 551 F HA 0.344 4.871 4.527 0.000 0.000 0.358 551 F C 0.390 176.317 175.800 0.211 0.000 1.129 551 F CA -0.839 57.327 58.000 0.277 0.000 1.200 551 F CB -0.010 39.136 39.000 0.243 0.000 1.431 551 F HN -0.390 nan 8.300 nan 0.000 0.503 552 V N 0.325 120.445 119.914 0.343 0.000 2.948 552 V HA 0.655 4.775 4.120 0.000 0.000 0.234 552 V C 0.795 177.040 176.094 0.252 0.000 1.205 552 V CA 0.562 63.005 62.300 0.238 0.000 1.234 552 V CB 0.436 32.371 31.823 0.187 0.000 1.020 552 V HN 0.520 nan 8.190 nan 0.000 0.491 553 A N -0.607 122.331 122.820 0.195 0.000 2.593 553 A HA 0.804 5.124 4.320 0.000 0.000 0.290 553 A C -0.284 177.028 177.584 -0.453 0.000 1.126 553 A CA 0.082 52.095 52.037 -0.041 0.000 0.695 553 A CB 1.201 20.024 19.000 -0.296 0.000 1.290 553 A HN 0.436 nan 8.150 nan 0.000 0.414 554 G N -1.351 106.882 108.800 -0.945 0.000 2.412 554 G HA2 0.551 4.511 3.960 0.000 0.000 0.318 554 G HA3 0.551 4.511 3.960 0.000 0.000 0.318 554 G C -1.001 173.272 174.900 -1.046 0.000 1.146 554 G CA -0.143 44.077 45.100 -1.467 0.000 0.882 554 G HN 0.617 nan 8.290 nan 0.000 0.501 555 Y N 0.522 120.619 120.300 -0.337 0.000 2.750 555 Y HA 0.292 4.843 4.550 0.000 0.000 0.247 555 Y C 1.140 176.967 175.900 -0.121 0.000 1.098 555 Y CA -0.804 57.199 58.100 -0.162 0.000 1.120 555 Y CB 0.499 38.901 38.460 -0.096 0.000 1.210 555 Y HN 0.513 nan 8.280 nan 0.000 0.601 556 S N 0.907 116.581 115.700 -0.044 0.000 2.575 556 S HA 0.291 4.761 4.470 0.000 0.000 0.295 556 S C 1.487 176.110 174.600 0.038 0.000 1.267 556 S CA 1.475 59.680 58.200 0.008 0.000 1.074 556 S CB 0.026 63.236 63.200 0.015 0.000 0.829 556 S HN 1.124 nan 8.310 nan 0.000 0.497 557 G N 3.587 112.409 108.800 0.036 0.000 2.175 557 G HA2 -0.244 3.716 3.960 0.000 0.000 0.265 557 G HA3 -0.244 3.716 3.960 0.000 0.000 0.265 557 G C 0.790 175.717 174.900 0.045 0.000 0.979 557 G CA 0.486 45.609 45.100 0.038 0.000 0.663 557 G HN 1.367 nan 8.290 nan 0.000 0.533 558 G N -0.359 108.475 108.800 0.056 0.000 3.042 558 G HA2 0.384 4.345 3.960 0.000 0.000 0.212 558 G HA3 0.384 4.345 3.960 0.000 0.000 0.212 558 G C 0.479 175.391 174.900 0.020 0.000 1.166 558 G CA 1.071 46.220 45.100 0.081 0.000 0.767 558 G HN 1.156 nan 8.290 nan 0.000 0.546 559 D N -0.366 120.008 120.400 -0.044 0.000 2.699 559 D HA -0.165 4.476 4.640 0.000 0.000 0.239 559 D C -0.052 176.152 176.300 -0.160 0.000 1.136 559 D CA 0.363 54.297 54.000 -0.110 0.000 0.668 559 D CB -1.190 39.561 40.800 -0.081 0.000 1.060 559 D HN 0.128 nan 8.370 nan 0.000 0.429 560 I N 1.226 121.666 120.570 -0.217 0.000 2.441 560 I HA 0.390 4.560 4.170 0.000 0.000 0.295 560 I C 0.008 175.863 176.117 -0.438 0.000 0.994 560 I CA -0.775 60.292 61.300 -0.387 0.000 1.144 560 I CB 1.234 38.864 38.000 -0.617 0.000 1.314 560 I HN 0.097 nan 8.210 nan 0.000 0.445 561 Y N 5.593 125.526 120.300 -0.611 0.000 2.425 561 Y HA 0.510 5.061 4.550 0.000 0.000 0.344 561 Y C -0.645 174.869 175.900 -0.643 0.000 0.969 561 Y CA -0.403 57.364 58.100 -0.557 0.000 1.052 561 Y CB 1.456 39.727 38.460 -0.316 0.000 1.215 561 Y HN 0.634 nan 8.280 nan 0.000 0.451 562 H N 0.000 118.424 119.070 -1.076 0.000 2.539 562 H HA 0.000 4.556 4.556 0.000 0.000 0.296 562 H CA 0.000 55.575 56.048 -0.788 0.000 1.023 562 H CB 0.000 29.361 29.762 -0.667 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496