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 2qe5_1_D 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 AASXXXLSGW 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 0.000 174.550 174.600 -0.083 0.000 1.055 1 S CA 0.000 58.165 58.200 -0.058 0.000 1.107 1 S CB 0.000 63.158 63.200 -0.070 0.000 0.593 2 M N 2.859 122.407 119.600 -0.085 0.000 2.233 2 M HA 0.303 4.783 4.480 0.000 0.000 0.350 2 M C 1.866 178.037 176.300 -0.214 0.000 1.176 2 M CA -0.047 55.184 55.300 -0.115 0.000 1.150 2 M CB 0.655 33.228 32.600 -0.044 0.000 1.530 2 M HN 1.056 nan 8.290 nan 0.000 0.459 3 S N 1.901 117.395 115.700 -0.343 0.000 2.382 3 S HA -0.064 4.406 4.470 0.000 0.000 0.228 3 S C 0.158 174.337 174.600 -0.702 0.000 1.027 3 S CA 0.873 58.761 58.200 -0.520 0.000 0.991 3 S CB -0.197 62.642 63.200 -0.603 0.000 0.823 3 S HN 0.656 nan 8.310 nan 0.000 0.469 4 Y N -0.223 119.960 120.300 -0.195 0.000 2.562 4 Y HA 0.605 5.155 4.550 0.000 0.000 0.345 4 Y C -0.261 175.390 175.900 -0.415 0.000 1.045 4 Y CA -1.009 56.864 58.100 -0.378 0.000 1.028 4 Y CB 2.289 40.470 38.460 -0.464 0.000 1.297 4 Y HN -0.150 nan 8.280 nan 0.000 0.463 5 T N 1.496 115.777 114.554 -0.454 0.000 2.921 5 T HA 0.378 4.728 4.350 0.000 0.000 0.297 5 T C -1.544 172.859 174.700 -0.494 0.000 1.013 5 T CA -0.843 61.083 62.100 -0.291 0.000 0.990 5 T CB 0.572 69.376 68.868 -0.107 0.000 1.023 5 T HN 0.444 nan 8.240 nan 0.000 0.447 6 W N 1.341 122.699 121.300 0.097 0.000 2.639 6 W HA 0.471 5.131 4.660 0.000 0.000 0.347 6 W C 1.590 178.141 176.519 0.053 0.000 1.067 6 W CA -0.815 56.572 57.345 0.071 0.000 1.218 6 W CB 0.944 30.432 29.460 0.046 0.000 1.393 6 W HN 0.789 nan 8.180 nan 0.000 0.557 7 T N -2.185 112.533 114.554 0.273 0.000 2.815 7 T HA 0.361 4.711 4.350 0.000 0.000 0.244 7 T C 1.308 176.102 174.700 0.156 0.000 1.040 7 T CA 1.463 63.661 62.100 0.164 0.000 1.176 7 T CB -0.463 68.477 68.868 0.120 0.000 0.880 7 T HN 0.967 nan 8.240 nan 0.000 0.414 8 G N 0.545 109.438 108.800 0.154 0.000 3.987 8 G HA2 0.365 4.325 3.960 0.000 0.000 0.220 8 G HA3 0.365 4.325 3.960 0.000 0.000 0.220 8 G C 0.191 175.134 174.900 0.072 0.000 0.871 8 G CA 0.023 45.181 45.100 0.098 0.000 0.881 8 G HN 0.873 nan 8.290 nan 0.000 0.674 9 A N 1.286 124.161 122.820 0.091 0.000 2.440 9 A HA 0.715 5.035 4.320 0.000 0.000 0.251 9 A C 0.559 178.180 177.584 0.061 0.000 1.089 9 A CA 0.029 52.106 52.037 0.068 0.000 0.779 9 A CB 0.242 19.286 19.000 0.074 0.000 1.022 9 A HN 0.499 nan 8.150 nan 0.000 0.492 10 L N 2.584 123.824 121.223 0.027 0.000 2.421 10 L HA 0.277 4.617 4.340 0.000 0.000 0.263 10 L C 0.159 177.036 176.870 0.013 0.000 1.122 10 L CA -0.869 53.970 54.840 -0.002 0.000 0.804 10 L CB 0.518 42.569 42.059 -0.015 0.000 1.150 10 L HN 0.499 nan 8.230 nan 0.000 0.457 11 I N 1.492 122.056 120.570 -0.011 0.000 2.587 11 I HA 0.039 4.209 4.170 0.000 0.000 0.284 11 I C 0.668 176.795 176.117 0.016 0.000 1.134 11 I CA 0.383 61.691 61.300 0.015 0.000 1.410 11 I CB 0.153 38.147 38.000 -0.009 0.000 1.392 11 I HN 0.649 nan 8.210 nan 0.000 0.545 12 T N 5.592 120.164 114.554 0.030 0.000 2.888 12 T HA 0.643 4.993 4.350 0.000 0.000 0.284 12 T C -2.481 172.240 174.700 0.036 0.000 1.017 12 T CA -1.912 60.205 62.100 0.028 0.000 1.022 12 T CB 2.131 71.014 68.868 0.025 0.000 1.013 12 T HN 0.401 nan 8.240 nan 0.000 0.465 13 P HA 0.276 nan 4.420 nan 0.000 0.281 13 P C 0.732 178.056 177.300 0.040 0.000 1.249 13 P CA -0.742 62.383 63.100 0.041 0.000 0.810 13 P CB 1.143 32.866 31.700 0.039 0.000 1.008 14 C N 0.495 119.822 119.300 0.045 0.000 2.535 14 C HA 0.667 5.127 4.460 0.000 0.000 0.310 14 C C 1.091 176.103 174.990 0.036 0.000 1.344 14 C CA 0.297 59.339 59.018 0.040 0.000 1.831 14 C CB -0.790 26.979 27.740 0.048 0.000 2.284 14 C HN 0.634 nan 8.230 nan 0.000 0.523 15 A N 0.929 123.773 122.820 0.041 0.000 2.354 15 A HA 0.805 5.125 4.320 0.000 0.000 0.321 15 A C 0.174 177.787 177.584 0.049 0.000 1.125 15 A CA 0.245 52.307 52.037 0.042 0.000 0.799 15 A CB 0.393 19.420 19.000 0.045 0.000 1.293 15 A HN 1.300 nan 8.150 nan 0.000 0.452 16 A N 0.957 123.807 122.820 0.050 0.000 2.565 16 A HA 0.428 4.748 4.320 0.000 0.000 0.237 16 A C 0.055 177.684 177.584 0.073 0.000 1.053 16 A CA 0.419 52.490 52.037 0.057 0.000 0.755 16 A CB -0.319 18.713 19.000 0.054 0.000 0.980 16 A HN 0.716 nan 8.150 nan 0.000 0.506 17 E N 1.976 122.223 120.200 0.080 0.000 2.165 17 E HA 0.325 4.675 4.350 0.000 0.000 0.266 17 E C -0.897 175.785 176.600 0.137 0.000 0.889 17 E CA -0.464 55.996 56.400 0.100 0.000 0.756 17 E CB 1.731 31.479 29.700 0.080 0.000 1.131 17 E HN 0.738 nan 8.360 nan 0.000 0.411 18 E N 1.080 121.402 120.200 0.204 0.000 2.266 18 E HA 0.153 4.503 4.350 0.000 0.000 0.277 18 E C 0.152 176.963 176.600 0.350 0.000 1.018 18 E CA -0.146 56.424 56.400 0.284 0.000 0.840 18 E CB 1.166 31.081 29.700 0.358 0.000 1.082 18 E HN 0.576 nan 8.360 nan 0.000 0.395 19 S N 2.162 118.059 115.700 0.328 0.000 2.733 19 S HA 0.209 4.679 4.470 0.000 0.000 0.247 19 S C 0.152 174.989 174.600 0.394 0.000 1.043 19 S CA -0.448 57.936 58.200 0.305 0.000 1.066 19 S CB 0.480 63.804 63.200 0.206 0.000 1.045 19 S HN 0.256 nan 8.310 nan 0.000 0.586 20 K N 1.427 122.079 120.400 0.421 0.000 2.371 20 K HA 0.391 4.711 4.320 0.000 0.000 0.251 20 K C -1.244 175.514 176.600 0.263 0.000 0.934 20 K CA -0.990 55.508 56.287 0.351 0.000 0.798 20 K CB 1.764 34.389 32.500 0.208 0.000 1.204 20 K HN 0.070 nan 8.250 nan 0.000 0.427 21 L N 4.289 125.669 121.223 0.262 0.000 2.700 21 L HA 0.020 4.360 4.340 0.000 0.000 0.276 21 L C -2.057 174.697 176.870 -0.193 0.000 1.200 21 L CA -0.896 53.925 54.840 -0.031 0.000 0.951 21 L CB -0.277 41.886 42.059 0.175 0.000 1.226 21 L HN 0.424 nan 8.230 nan 0.000 0.489 22 P HA 0.146 nan 4.420 nan 0.000 0.235 22 P C 0.560 177.733 177.300 -0.212 0.000 1.765 22 P CA -0.328 62.589 63.100 -0.305 0.000 1.034 22 P CB -0.249 31.209 31.700 -0.403 0.000 1.984 23 I N 1.343 121.819 120.570 -0.157 0.000 3.325 23 I HA -0.273 3.897 4.170 0.000 0.000 0.354 23 I C 0.479 176.516 176.117 -0.134 0.000 1.171 23 I CA 1.252 62.448 61.300 -0.173 0.000 1.515 23 I CB 0.226 38.071 38.000 -0.258 0.000 1.267 23 I HN 0.247 nan 8.210 nan 0.000 0.496 24 N N 3.986 122.621 118.700 -0.108 0.000 2.761 24 N HA 0.633 5.373 4.740 0.000 0.000 0.283 24 N C 0.194 175.670 175.510 -0.057 0.000 1.377 24 N CA 0.096 53.102 53.050 -0.072 0.000 0.791 24 N CB 1.702 40.159 38.487 -0.051 0.000 1.540 24 N HN 0.540 nan 8.380 nan 0.000 0.539 25 A N 0.060 122.856 122.820 -0.041 0.000 1.843 25 A HA 0.092 4.412 4.320 0.000 0.000 0.213 25 A C 1.871 179.439 177.584 -0.026 0.000 1.202 25 A CA 1.164 53.179 52.037 -0.035 0.000 0.607 25 A CB -0.947 18.034 19.000 -0.032 0.000 0.847 25 A HN 0.559 nan 8.150 nan 0.000 0.445 26 L N 0.656 121.866 121.223 -0.021 0.000 2.093 26 L HA -0.143 4.197 4.340 0.000 0.000 0.208 26 L C 2.978 179.878 176.870 0.049 0.000 1.085 26 L CA 1.432 56.262 54.840 -0.017 0.000 0.755 26 L CB -0.638 41.392 42.059 -0.047 0.000 0.904 26 L HN 0.595 nan 8.230 nan 0.000 0.435 27 S N 0.402 116.127 115.700 0.041 0.000 2.370 27 S HA -0.274 4.196 4.470 0.000 0.000 0.226 27 S C 1.830 176.461 174.600 0.053 0.000 1.033 27 S CA 1.875 60.110 58.200 0.058 0.000 1.011 27 S CB -0.709 62.494 63.200 0.005 0.000 0.852 27 S HN 0.450 nan 8.310 nan 0.000 0.457 28 N N 1.323 120.032 118.700 0.015 0.000 2.381 28 N HA -0.028 4.712 4.740 0.000 0.000 0.182 28 N C 1.723 177.255 175.510 0.037 0.000 1.025 28 N CA 1.142 54.202 53.050 0.017 0.000 0.888 28 N CB -0.568 37.907 38.487 -0.021 0.000 0.965 28 N HN 0.530 nan 8.380 nan 0.000 0.438 29 S N -0.999 114.729 115.700 0.046 0.000 2.474 29 S HA -0.035 4.435 4.470 0.000 0.000 0.235 29 S C 1.492 176.165 174.600 0.122 0.000 0.997 29 S CA 0.677 58.902 58.200 0.042 0.000 0.949 29 S CB -0.160 63.053 63.200 0.021 0.000 0.766 29 S HN 0.404 nan 8.310 nan 0.000 0.517 30 L N -0.054 121.278 121.223 0.183 0.000 2.349 30 L HA 0.598 4.938 4.340 0.000 0.000 0.200 30 L C 0.138 177.103 176.870 0.159 0.000 1.064 30 L CA 0.808 55.789 54.840 0.234 0.000 0.821 30 L CB -0.011 42.000 42.059 -0.080 0.000 1.027 30 L HN 0.390 nan 8.230 nan 0.000 0.476 31 L N -0.956 120.318 121.223 0.085 0.000 2.354 31 L HA 0.430 4.770 4.340 0.000 0.000 0.269 31 L C 0.822 177.736 176.870 0.074 0.000 1.005 31 L CA -0.363 54.514 54.840 0.063 0.000 0.819 31 L CB 1.798 43.897 42.059 0.067 0.000 1.311 31 L HN 0.096 nan 8.230 nan 0.000 0.423 32 R N 0.310 120.830 120.500 0.034 0.000 2.119 32 R HA 0.180 4.520 4.340 0.000 0.000 0.202 32 R C 0.472 176.954 176.300 0.303 0.000 1.114 32 R CA 0.155 56.330 56.100 0.125 0.000 1.089 32 R CB 0.081 30.421 30.300 0.066 0.000 1.000 32 R HN 0.737 nan 8.270 nan 0.000 0.487 33 H N 2.496 121.635 119.070 0.115 0.000 3.792 33 H HA -0.020 4.536 4.556 0.000 0.000 0.216 33 H C 0.732 176.077 175.328 0.028 0.000 1.525 33 H CA 0.008 56.086 56.048 0.049 0.000 1.309 33 H CB -0.209 29.573 29.762 0.032 0.000 1.540 33 H HN 0.459 nan 8.280 nan 0.000 0.711 34 H N -0.149 119.025 119.070 0.172 0.000 2.520 34 H HA -0.174 4.382 4.556 0.000 0.000 0.295 34 H C 0.356 175.773 175.328 0.149 0.000 1.096 34 H CA 1.111 57.241 56.048 0.137 0.000 1.249 34 H CB -0.290 29.526 29.762 0.090 0.000 1.365 34 H HN 0.529 nan 8.280 nan 0.000 0.556 35 N N -0.139 118.390 118.700 -0.284 0.000 2.314 35 N HA 0.145 4.885 4.740 0.000 0.000 0.200 35 N C 1.120 176.645 175.510 0.024 0.000 1.135 35 N CA -0.124 52.850 53.050 -0.128 0.000 0.835 35 N CB 0.238 38.592 38.487 -0.222 0.000 0.989 35 N HN 0.300 nan 8.380 nan 0.000 0.478 36 M N 0.211 119.869 119.600 0.096 0.000 2.414 36 M HA 0.133 4.613 4.480 0.000 0.000 0.251 36 M C -0.347 176.102 176.300 0.248 0.000 1.116 36 M CA 0.347 55.736 55.300 0.148 0.000 1.056 36 M CB 0.913 33.609 32.600 0.161 0.000 1.388 36 M HN -0.133 nan 8.290 nan 0.000 0.487 37 V N 1.160 121.234 119.914 0.267 0.000 2.427 37 V HA 0.364 4.484 4.120 0.000 0.000 0.286 37 V C -0.767 175.579 176.094 0.419 0.000 1.034 37 V CA -0.755 61.733 62.300 0.313 0.000 0.893 37 V CB 0.516 32.510 31.823 0.284 0.000 0.982 37 V HN 0.329 nan 8.190 nan 0.000 0.452 38 Y N 2.022 122.430 120.300 0.179 0.000 2.615 38 Y HA 0.929 5.479 4.550 0.000 0.000 0.341 38 Y C -0.442 175.437 175.900 -0.035 0.000 1.089 38 Y CA -1.436 56.756 58.100 0.154 0.000 1.049 38 Y CB 1.948 40.482 38.460 0.124 0.000 1.296 38 Y HN 0.679 nan 8.280 nan 0.000 0.470 39 A N 1.902 124.656 122.820 -0.110 0.000 2.319 39 A HA 0.576 4.896 4.320 0.000 0.000 0.310 39 A C -0.133 177.415 177.584 -0.061 0.000 1.152 39 A CA -0.513 51.265 52.037 -0.431 0.000 0.783 39 A CB 0.142 18.627 19.000 -0.858 0.000 1.184 39 A HN 0.990 nan 8.150 nan 0.000 0.474 40 T N 1.071 115.611 114.554 -0.023 0.000 2.939 40 T HA 0.436 4.786 4.350 0.000 0.000 0.319 40 T C 0.609 175.344 174.700 0.058 0.000 1.082 40 T CA 0.632 62.807 62.100 0.125 0.000 1.133 40 T CB 0.259 69.226 68.868 0.164 0.000 1.019 40 T HN 1.429 nan 8.240 nan 0.000 0.548 41 T N -1.245 113.357 114.554 0.081 0.000 2.654 41 T HA 0.483 4.833 4.350 0.000 0.000 0.289 41 T C 1.322 176.050 174.700 0.046 0.000 1.062 41 T CA -0.455 61.679 62.100 0.057 0.000 1.041 41 T CB 0.992 69.901 68.868 0.067 0.000 1.417 41 T HN 0.342 nan 8.240 nan 0.000 0.510 42 S N -0.166 115.556 115.700 0.038 0.000 2.382 42 S HA -0.083 4.387 4.470 0.000 0.000 0.228 42 S C 2.085 176.692 174.600 0.011 0.000 1.027 42 S CA 1.247 59.461 58.200 0.024 0.000 0.991 42 S CB -0.555 62.660 63.200 0.025 0.000 0.823 42 S HN 0.644 nan 8.310 nan 0.000 0.469 43 R N 1.499 122.011 120.500 0.020 0.000 2.174 43 R HA -0.113 4.227 4.340 0.000 0.000 0.253 43 R C 2.283 178.581 176.300 -0.002 0.000 1.165 43 R CA 1.757 57.864 56.100 0.011 0.000 0.984 43 R CB -0.329 29.985 30.300 0.023 0.000 0.873 43 R HN 0.543 nan 8.270 nan 0.000 0.456 44 S N -1.503 114.200 115.700 0.005 0.000 2.540 44 S HA 0.284 4.754 4.470 0.000 0.000 0.218 44 S C 1.864 176.446 174.600 -0.031 0.000 0.977 44 S CA 0.094 58.290 58.200 -0.006 0.000 0.918 44 S CB 0.721 63.933 63.200 0.020 0.000 0.806 44 S HN 0.303 nan 8.310 nan 0.000 0.496 45 A N 2.522 125.319 122.820 -0.039 0.000 1.915 45 A HA -0.020 4.300 4.320 0.000 0.000 0.220 45 A C 2.360 179.854 177.584 -0.150 0.000 1.198 45 A CA 2.026 54.015 52.037 -0.080 0.000 0.647 45 A CB -1.885 17.067 19.000 -0.080 0.000 0.825 45 A HN 0.672 nan 8.150 nan 0.000 0.456 46 G N -0.688 108.019 108.800 -0.155 0.000 2.469 46 G HA2 -0.170 3.790 3.960 0.000 0.000 0.220 46 G HA3 -0.170 3.790 3.960 0.000 0.000 0.220 46 G C 1.377 176.177 174.900 -0.166 0.000 1.136 46 G CA 1.336 46.315 45.100 -0.201 0.000 0.759 46 G HN 0.383 nan 8.290 nan 0.000 0.562 47 L N 0.296 121.458 121.223 -0.102 0.000 2.017 47 L HA 0.020 4.360 4.340 0.000 0.000 0.208 47 L C 2.778 179.608 176.870 -0.067 0.000 1.073 47 L CA 1.759 56.557 54.840 -0.070 0.000 0.745 47 L CB -0.721 41.312 42.059 -0.043 0.000 0.894 47 L HN 0.204 nan 8.230 nan 0.000 0.432 48 R N -0.209 120.248 120.500 -0.071 0.000 2.096 48 R HA -0.151 4.189 4.340 0.000 0.000 0.235 48 R C 2.193 178.442 176.300 -0.085 0.000 1.127 48 R CA 1.475 57.546 56.100 -0.048 0.000 0.968 48 R CB -0.371 29.907 30.300 -0.036 0.000 0.861 48 R HN 0.473 nan 8.270 nan 0.000 0.440 49 Q N -0.178 119.485 119.800 -0.228 0.000 2.170 49 Q HA -0.120 4.221 4.340 0.000 0.000 0.203 49 Q C 1.680 177.566 176.000 -0.190 0.000 0.976 49 Q CA 1.423 56.983 55.803 -0.404 0.000 0.858 49 Q CB 0.024 28.217 28.738 -0.907 0.000 0.907 49 Q HN 0.210 nan 8.270 nan 0.000 0.433 50 K N 0.957 121.285 120.400 -0.120 0.000 2.062 50 K HA -0.057 4.263 4.320 0.000 0.000 0.205 50 K C 1.857 178.514 176.600 0.095 0.000 1.051 50 K CA 0.918 57.201 56.287 -0.006 0.000 0.941 50 K CB -0.082 32.405 32.500 -0.023 0.000 0.719 50 K HN 0.147 nan 8.250 nan 0.000 0.440 51 K N 0.711 121.157 120.400 0.076 0.000 2.057 51 K HA -0.072 4.248 4.320 0.000 0.000 0.207 51 K C 2.021 178.782 176.600 0.268 0.000 1.049 51 K CA 0.883 57.245 56.287 0.126 0.000 0.931 51 K CB -0.145 32.404 32.500 0.081 0.000 0.714 51 K HN -0.127 nan 8.250 nan 0.000 0.440 52 V N 1.387 121.468 119.914 0.278 0.000 3.306 52 V HA -0.057 4.063 4.120 0.000 0.000 0.264 52 V C 0.106 176.507 176.094 0.512 0.000 1.149 52 V CA 0.966 63.517 62.300 0.420 0.000 1.143 52 V CB 0.067 32.060 31.823 0.283 0.000 0.767 52 V HN 0.260 nan 8.190 nan 0.000 0.476 53 T N 2.930 117.773 114.554 0.483 0.000 2.767 53 T HA 0.632 4.982 4.350 0.000 0.000 0.284 53 T C -0.779 174.167 174.700 0.410 0.000 0.973 53 T CA -0.148 62.197 62.100 0.409 0.000 0.996 53 T CB 0.760 69.940 68.868 0.520 0.000 0.927 53 T HN 0.353 nan 8.240 nan 0.000 0.456 54 F N -0.269 119.789 119.950 0.181 0.000 2.793 54 F HA 0.538 5.065 4.527 0.000 0.000 0.316 54 F C -1.254 174.591 175.800 0.075 0.000 1.147 54 F CA -1.540 56.527 58.000 0.111 0.000 0.930 54 F CB 0.487 39.543 39.000 0.093 0.000 1.277 54 F HN 0.329 nan 8.300 nan 0.000 0.443 55 D N 1.018 121.555 120.400 0.227 0.000 2.339 55 D HA 0.518 5.159 4.640 0.000 0.000 0.245 55 D C -0.776 175.635 176.300 0.185 0.000 1.115 55 D CA 0.151 54.215 54.000 0.108 0.000 0.917 55 D CB 0.936 41.793 40.800 0.094 0.000 1.192 55 D HN 0.640 nan 8.370 nan 0.000 0.428 56 R N 1.170 121.711 120.500 0.068 0.000 2.670 56 R HA 0.689 5.029 4.340 0.000 0.000 0.289 56 R C -0.927 175.402 176.300 0.050 0.000 0.965 56 R CA -0.614 55.543 56.100 0.094 0.000 0.899 56 R CB 1.513 31.824 30.300 0.020 0.000 1.173 56 R HN 0.354 nan 8.270 nan 0.000 0.456 57 L N 1.683 122.938 121.223 0.053 0.000 2.408 57 L HA 0.539 4.879 4.340 0.000 0.000 0.268 57 L C -0.699 176.177 176.870 0.010 0.000 0.986 57 L CA -0.723 54.130 54.840 0.021 0.000 0.820 57 L CB 2.319 44.391 42.059 0.022 0.000 1.303 57 L HN 0.435 nan 8.230 nan 0.000 0.411 58 Q N 1.957 121.751 119.800 -0.011 0.000 2.359 58 Q HA 0.675 5.015 4.340 0.000 0.000 0.274 58 Q C -1.619 174.361 176.000 -0.033 0.000 1.074 58 Q CA -0.688 55.101 55.803 -0.023 0.000 0.810 58 Q CB 3.712 32.413 28.738 -0.061 0.000 1.342 58 Q HN 0.392 nan 8.270 nan 0.000 0.427 59 V N 3.860 123.766 119.914 -0.014 0.000 2.498 59 V HA 0.301 4.421 4.120 0.000 0.000 0.283 59 V C -0.155 175.941 176.094 0.003 0.000 1.015 59 V CA -0.601 61.689 62.300 -0.017 0.000 0.867 59 V CB 1.005 32.827 31.823 -0.003 0.000 1.025 59 V HN 0.696 nan 8.190 nan 0.000 0.441 60 L N 2.632 123.780 121.223 -0.125 0.000 2.476 60 L HA 0.476 4.816 4.340 0.000 0.000 0.264 60 L C 0.217 177.073 176.870 -0.023 0.000 1.224 60 L CA 0.205 54.902 54.840 -0.238 0.000 0.821 60 L CB 0.449 42.270 42.059 -0.397 0.000 1.101 60 L HN 0.512 nan 8.230 nan 0.000 0.488 61 D N -1.048 119.371 120.400 0.032 0.000 2.654 61 D HA 0.163 4.803 4.640 0.000 0.000 0.255 61 D C 0.114 176.448 176.300 0.056 0.000 1.101 61 D CA -0.453 53.599 54.000 0.088 0.000 1.116 61 D CB 1.436 42.362 40.800 0.211 0.000 1.348 61 D HN 0.428 nan 8.370 nan 0.000 0.609 62 D N -1.044 119.332 120.400 -0.040 0.000 2.305 62 D HA -0.057 4.583 4.640 0.000 0.000 0.206 62 D C 1.476 177.767 176.300 -0.015 0.000 0.974 62 D CA 0.602 54.566 54.000 -0.059 0.000 0.871 62 D CB 0.401 41.118 40.800 -0.139 0.000 0.947 62 D HN 0.307 nan 8.370 nan 0.000 0.516 63 H N -0.392 118.727 119.070 0.080 0.000 2.363 63 H HA -0.106 4.450 4.556 0.000 0.000 0.301 63 H C 1.832 177.180 175.328 0.033 0.000 1.074 63 H CA 0.739 56.827 56.048 0.067 0.000 1.354 63 H CB -0.521 29.311 29.762 0.115 0.000 1.397 63 H HN 0.249 nan 8.280 nan 0.000 0.516 64 Y N 2.505 122.802 120.300 -0.004 0.000 2.049 64 Y HA -0.280 4.270 4.550 0.000 0.000 0.277 64 Y C 2.673 178.517 175.900 -0.094 0.000 1.143 64 Y CA 1.911 59.905 58.100 -0.176 0.000 1.115 64 Y CB -0.130 38.125 38.460 -0.341 0.000 0.975 64 Y HN -0.002 nan 8.280 nan 0.000 0.487 65 R N 0.097 120.644 120.500 0.079 0.000 2.119 65 R HA -0.214 4.126 4.340 0.000 0.000 0.246 65 R C 1.802 178.067 176.300 -0.058 0.000 1.146 65 R CA 1.621 57.717 56.100 -0.006 0.000 0.962 65 R CB -0.719 29.610 30.300 0.049 0.000 0.863 65 R HN 0.447 nan 8.270 nan 0.000 0.442 66 D N 0.559 120.950 120.400 -0.016 0.000 2.092 66 D HA -0.117 4.523 4.640 0.000 0.000 0.193 66 D C 2.111 178.389 176.300 -0.036 0.000 0.994 66 D CA 1.233 55.230 54.000 -0.005 0.000 0.828 66 D CB -0.271 40.556 40.800 0.045 0.000 0.963 66 D HN 0.016 nan 8.370 nan 0.000 0.450 67 V N 1.540 121.415 119.914 -0.064 0.000 2.332 67 V HA -0.208 3.912 4.120 0.000 0.000 0.248 67 V C 2.631 178.655 176.094 -0.115 0.000 1.055 67 V CA 1.039 63.289 62.300 -0.083 0.000 1.038 67 V CB -0.424 31.320 31.823 -0.132 0.000 0.651 67 V HN 0.226 nan 8.190 nan 0.000 0.450 68 L N -0.141 120.946 121.223 -0.228 0.000 1.989 68 L HA -0.246 4.094 4.340 0.000 0.000 0.211 68 L C 2.661 179.463 176.870 -0.113 0.000 1.071 68 L CA 2.205 56.906 54.840 -0.232 0.000 0.749 68 L CB -0.311 41.546 42.059 -0.337 0.000 0.890 68 L HN 0.310 nan 8.230 nan 0.000 0.431 69 K N 0.572 120.923 120.400 -0.082 0.000 2.063 69 K HA -0.234 4.086 4.320 0.000 0.000 0.208 69 K C 1.813 178.396 176.600 -0.028 0.000 1.048 69 K CA 1.866 58.127 56.287 -0.044 0.000 0.928 69 K CB -0.136 32.347 32.500 -0.028 0.000 0.713 69 K HN 0.406 nan 8.250 nan 0.000 0.442 70 E N -0.533 119.655 120.200 -0.020 0.000 2.268 70 E HA -0.146 4.204 4.350 0.000 0.000 0.195 70 E C 1.978 178.581 176.600 0.005 0.000 0.995 70 E CA 1.186 57.587 56.400 0.001 0.000 0.836 70 E CB -0.092 29.619 29.700 0.018 0.000 0.763 70 E HN 0.357 nan 8.360 nan 0.000 0.491 71 M N 0.459 120.056 119.600 -0.005 0.000 2.134 71 M HA -0.103 4.377 4.480 0.000 0.000 0.262 71 M C 2.070 178.352 176.300 -0.030 0.000 1.076 71 M CA 1.284 56.578 55.300 -0.009 0.000 1.143 71 M CB 0.013 32.605 32.600 -0.012 0.000 1.346 71 M HN -0.083 nan 8.290 nan 0.000 0.421 72 K N 0.503 120.880 120.400 -0.037 0.000 2.074 72 K HA -0.160 4.160 4.320 0.000 0.000 0.209 72 K C 2.064 178.652 176.600 -0.021 0.000 1.048 72 K CA 1.619 57.886 56.287 -0.032 0.000 0.926 72 K CB -0.472 32.008 32.500 -0.034 0.000 0.713 72 K HN 0.311 nan 8.250 nan 0.000 0.444 73 A N 2.057 124.867 122.820 -0.017 0.000 1.917 73 A HA -0.212 4.108 4.320 0.000 0.000 0.219 73 A C 2.063 179.640 177.584 -0.013 0.000 1.182 73 A CA 1.599 53.629 52.037 -0.011 0.000 0.633 73 A CB -0.253 18.743 19.000 -0.006 0.000 0.819 73 A HN 0.088 nan 8.150 nan 0.000 0.448 74 K N -0.526 119.864 120.400 -0.017 0.000 2.103 74 K HA 0.078 4.398 4.320 0.000 0.000 0.204 74 K C 2.252 178.833 176.600 -0.032 0.000 1.052 74 K CA 1.165 57.437 56.287 -0.025 0.000 0.945 74 K CB -0.623 31.858 32.500 -0.032 0.000 0.722 74 K HN 0.446 nan 8.250 nan 0.000 0.443 75 A N 1.409 124.210 122.820 -0.032 0.000 1.930 75 A HA -0.121 4.199 4.320 0.000 0.000 0.217 75 A C 1.969 179.545 177.584 -0.013 0.000 1.175 75 A CA 1.962 53.983 52.037 -0.026 0.000 0.627 75 A CB -0.542 18.448 19.000 -0.017 0.000 0.815 75 A HN 0.374 nan 8.150 nan 0.000 0.443 76 S N -1.657 114.037 115.700 -0.010 0.000 2.803 76 S HA 0.023 4.493 4.470 0.000 0.000 0.226 76 S C 1.014 175.610 174.600 -0.007 0.000 0.962 76 S CA 1.185 59.382 58.200 -0.004 0.000 0.968 76 S CB -0.551 62.647 63.200 -0.003 0.000 0.786 76 S HN 0.346 nan 8.310 nan 0.000 0.527 77 T N 1.183 115.729 114.554 -0.014 0.000 3.054 77 T HA 0.325 4.675 4.350 0.000 0.000 0.255 77 T C 0.022 174.711 174.700 -0.019 0.000 1.035 77 T CA -0.088 62.003 62.100 -0.016 0.000 0.941 77 T CB 0.154 69.010 68.868 -0.020 0.000 1.026 77 T HN 0.271 nan 8.240 nan 0.000 0.533 78 V N 2.493 122.396 119.914 -0.018 0.000 2.427 78 V HA 0.460 4.580 4.120 0.000 0.000 0.286 78 V C -0.051 176.036 176.094 -0.010 0.000 1.034 78 V CA -0.965 61.322 62.300 -0.021 0.000 0.893 78 V CB 1.609 33.414 31.823 -0.030 0.000 0.982 78 V HN 0.092 nan 8.190 nan 0.000 0.452 79 K N 3.774 124.167 120.400 -0.011 0.000 2.389 79 K HA 0.738 5.058 4.320 0.000 0.000 0.261 79 K C -0.573 176.024 176.600 -0.004 0.000 1.014 79 K CA -0.370 55.916 56.287 -0.002 0.000 0.920 79 K CB 1.206 33.705 32.500 -0.001 0.000 1.149 79 K HN 0.845 nan 8.250 nan 0.000 0.444 80 A N 4.626 127.447 122.820 0.002 0.000 2.318 80 A HA 0.501 4.821 4.320 0.000 0.000 0.324 80 A C -0.886 176.709 177.584 0.019 0.000 1.170 80 A CA -0.851 51.187 52.037 0.002 0.000 0.810 80 A CB 0.888 19.882 19.000 -0.009 0.000 1.198 80 A HN 0.570 nan 8.150 nan 0.000 0.484 81 K N 1.327 121.740 120.400 0.023 0.000 2.098 81 K HA 0.506 4.826 4.320 0.000 0.000 0.258 81 K C -0.425 176.202 176.600 0.044 0.000 0.973 81 K CA -0.645 55.661 56.287 0.031 0.000 0.898 81 K CB 1.471 33.986 32.500 0.024 0.000 1.057 81 K HN 0.683 nan 8.250 nan 0.000 0.447 82 L N 0.003 121.253 121.223 0.045 0.000 2.375 82 L HA 0.468 4.808 4.340 0.000 0.000 0.271 82 L C -0.251 176.621 176.870 0.004 0.000 1.107 82 L CA -0.573 54.294 54.840 0.045 0.000 0.806 82 L CB -0.027 42.069 42.059 0.062 0.000 1.146 82 L HN 0.200 nan 8.230 nan 0.000 0.447 83 L N 2.077 123.297 121.223 -0.005 0.000 2.395 83 L HA 0.476 4.816 4.340 0.000 0.000 0.269 83 L C 0.732 177.530 176.870 -0.119 0.000 1.133 83 L CA 0.533 55.350 54.840 -0.038 0.000 0.812 83 L CB 1.315 43.361 42.059 -0.021 0.000 1.125 83 L HN 1.008 nan 8.230 nan 0.000 0.452 84 S N 0.987 116.623 115.700 -0.106 0.000 2.584 84 S HA 0.241 4.711 4.470 0.000 0.000 0.273 84 S C 1.280 175.789 174.600 -0.152 0.000 1.311 84 S CA -0.890 57.232 58.200 -0.129 0.000 1.034 84 S CB 1.124 64.273 63.200 -0.085 0.000 0.939 84 S HN 0.336 nan 8.310 nan 0.000 0.513 85 V N 1.808 121.614 119.914 -0.181 0.000 2.370 85 V HA -0.227 3.893 4.120 0.000 0.000 0.252 85 V C 2.706 178.712 176.094 -0.147 0.000 1.068 85 V CA 2.419 64.602 62.300 -0.196 0.000 1.061 85 V CB -1.243 30.425 31.823 -0.258 0.000 0.656 85 V HN 1.041 nan 8.190 nan 0.000 0.455 86 E N 0.050 120.181 120.200 -0.116 0.000 2.038 86 E HA -0.272 4.078 4.350 0.000 0.000 0.195 86 E C 2.257 178.802 176.600 -0.091 0.000 1.000 86 E CA 1.801 58.145 56.400 -0.092 0.000 0.803 86 E CB -0.065 29.594 29.700 -0.069 0.000 0.750 86 E HN 0.738 nan 8.360 nan 0.000 0.448 87 E N -0.061 120.084 120.200 -0.092 0.000 2.106 87 E HA -0.159 4.191 4.350 0.000 0.000 0.192 87 E C 1.941 178.457 176.600 -0.141 0.000 0.984 87 E CA 0.873 57.214 56.400 -0.098 0.000 0.806 87 E CB -0.097 29.555 29.700 -0.081 0.000 0.750 87 E HN 0.302 nan 8.360 nan 0.000 0.458 88 A N 0.542 123.275 122.820 -0.144 0.000 1.930 88 A HA -0.180 4.140 4.320 0.000 0.000 0.217 88 A C 2.330 179.830 177.584 -0.140 0.000 1.175 88 A CA 1.017 52.958 52.037 -0.160 0.000 0.627 88 A CB -0.770 18.153 19.000 -0.127 0.000 0.815 88 A HN 0.359 nan 8.150 nan 0.000 0.443 89 C N -0.593 118.637 119.300 -0.117 0.000 2.453 89 C HA -0.062 4.398 4.460 0.000 0.000 0.277 89 C C 2.686 177.619 174.990 -0.096 0.000 1.262 89 C CA 1.324 60.285 59.018 -0.096 0.000 1.718 89 C CB -1.011 26.674 27.740 -0.092 0.000 2.031 89 C HN 0.634 nan 8.230 nan 0.000 0.480 90 K N 0.711 121.055 120.400 -0.093 0.000 2.147 90 K HA -0.087 4.233 4.320 0.000 0.000 0.205 90 K C 1.510 178.069 176.600 -0.067 0.000 1.049 90 K CA 1.121 57.367 56.287 -0.068 0.000 0.936 90 K CB -0.252 32.218 32.500 -0.050 0.000 0.722 90 K HN 0.492 nan 8.250 nan 0.000 0.446 91 L N 0.957 122.094 121.223 -0.144 0.000 2.551 91 L HA -0.036 4.304 4.340 0.000 0.000 0.228 91 L C 0.371 177.142 176.870 -0.165 0.000 1.153 91 L CA 0.332 55.044 54.840 -0.213 0.000 0.851 91 L CB -0.353 41.446 42.059 -0.433 0.000 0.959 91 L HN 0.023 nan 8.230 nan 0.000 0.451 92 T N 1.780 116.259 114.554 -0.125 0.000 2.761 92 T HA 0.208 4.558 4.350 0.000 0.000 0.296 92 T C -2.268 172.337 174.700 -0.158 0.000 0.934 92 T CA -1.138 60.895 62.100 -0.113 0.000 1.091 92 T CB 0.846 69.662 68.868 -0.087 0.000 0.896 92 T HN -0.118 nan 8.240 nan 0.000 0.515 93 P HA 0.125 nan 4.420 nan 0.000 0.266 93 P C -1.921 175.205 177.300 -0.289 0.000 1.195 93 P CA -1.350 61.617 63.100 -0.222 0.000 0.768 93 P CB 0.145 31.852 31.700 0.012 0.000 0.838 94 P HA -0.166 nan 4.420 nan 0.000 0.219 94 P C 0.695 177.749 177.300 -0.411 0.000 1.146 94 P CA 1.635 64.424 63.100 -0.519 0.000 0.808 94 P CB -0.275 30.975 31.700 -0.750 0.000 0.779 95 H N -3.134 115.838 119.070 -0.164 0.000 2.586 95 H HA 0.237 4.793 4.556 0.000 0.000 0.273 95 H C 0.700 175.968 175.328 -0.100 0.000 0.997 95 H CA -0.278 55.708 56.048 -0.103 0.000 1.177 95 H CB 0.102 29.820 29.762 -0.074 0.000 1.471 95 H HN 0.032 nan 8.280 nan 0.000 0.538 96 S N 1.627 117.335 115.700 0.014 0.000 2.573 96 S HA 0.159 4.629 4.470 0.000 0.000 0.297 96 S C 0.757 175.332 174.600 -0.041 0.000 1.280 96 S CA -0.362 57.815 58.200 -0.038 0.000 1.061 96 S CB 0.137 63.306 63.200 -0.051 0.000 0.812 96 S HN 0.520 nan 8.310 nan 0.000 0.500 97 A N 5.137 127.920 122.820 -0.062 0.000 2.580 97 A HA 0.163 4.483 4.320 0.000 0.000 0.244 97 A C 0.630 178.205 177.584 -0.015 0.000 1.045 97 A CA 0.150 52.174 52.037 -0.022 0.000 0.761 97 A CB -0.280 18.726 19.000 0.010 0.000 0.962 97 A HN 0.883 nan 8.150 nan 0.000 0.512 98 K N 2.449 122.825 120.400 -0.040 0.000 2.336 98 K HA 0.291 4.611 4.320 0.000 0.000 0.262 98 K C 0.448 176.949 176.600 -0.166 0.000 0.992 98 K CA 0.240 56.461 56.287 -0.110 0.000 0.927 98 K CB 0.316 32.754 32.500 -0.103 0.000 0.956 98 K HN 0.497 nan 8.250 nan 0.000 0.495 99 S N 0.134 115.608 115.700 -0.377 0.000 2.603 99 S HA 0.071 4.541 4.470 0.000 0.000 0.268 99 S C 0.565 174.976 174.600 -0.314 0.000 1.317 99 S CA -0.608 57.344 58.200 -0.414 0.000 1.012 99 S CB 0.699 63.281 63.200 -1.030 0.000 0.926 99 S HN 0.682 nan 8.310 nan 0.000 0.539 100 K N 1.841 122.056 120.400 -0.308 0.000 2.459 100 K HA 0.058 4.378 4.320 0.000 0.000 0.193 100 K C -0.104 176.110 176.600 -0.642 0.000 1.030 100 K CA 0.696 56.694 56.287 -0.482 0.000 1.026 100 K CB -0.094 32.034 32.500 -0.621 0.000 0.809 100 K HN 0.639 nan 8.250 nan 0.000 0.504 101 F N 0.211 120.003 119.950 -0.264 0.000 2.798 101 F HA 0.220 4.747 4.527 0.000 0.000 0.291 101 F C 1.401 177.135 175.800 -0.109 0.000 1.174 101 F CA -0.069 57.798 58.000 -0.223 0.000 1.392 101 F CB 0.605 39.331 39.000 -0.457 0.000 0.966 101 F HN 0.133 nan 8.300 nan 0.000 0.509 102 G N -0.106 108.676 108.800 -0.030 0.000 2.308 102 G HA2 -0.305 3.655 3.960 0.000 0.000 0.221 102 G HA3 -0.305 3.655 3.960 0.000 0.000 0.221 102 G C 0.106 175.055 174.900 0.082 0.000 1.032 102 G CA 0.028 45.160 45.100 0.052 0.000 0.623 102 G HN 0.463 nan 8.290 nan 0.000 0.506 103 Y N 0.368 120.657 120.300 -0.020 0.000 2.496 103 Y HA 0.803 5.353 4.550 0.000 0.000 0.331 103 Y C 0.684 176.576 175.900 -0.013 0.000 1.140 103 Y CA -0.884 57.207 58.100 -0.016 0.000 1.166 103 Y CB 1.353 39.805 38.460 -0.013 0.000 1.249 103 Y HN 0.487 nan 8.280 nan 0.000 0.479 104 G N -0.365 108.452 108.800 0.027 0.000 2.735 104 G HA2 0.480 4.440 3.960 0.000 0.000 0.301 104 G HA3 0.480 4.440 3.960 0.000 0.000 0.301 104 G C 0.334 175.249 174.900 0.025 0.000 1.279 104 G CA -0.832 44.240 45.100 -0.047 0.000 1.019 104 G HN 1.038 nan 8.290 nan 0.000 0.497 105 A N -0.243 122.563 122.820 -0.023 0.000 1.948 105 A HA -0.098 4.222 4.320 0.000 0.000 0.220 105 A C 2.193 179.750 177.584 -0.045 0.000 1.177 105 A CA 2.154 54.173 52.037 -0.031 0.000 0.636 105 A CB -0.443 18.511 19.000 -0.077 0.000 0.815 105 A HN 0.606 nan 8.150 nan 0.000 0.449 106 K N -0.600 119.766 120.400 -0.056 0.000 2.097 106 K HA -0.142 4.178 4.320 0.000 0.000 0.206 106 K C 1.492 178.076 176.600 -0.027 0.000 1.049 106 K CA 1.383 57.631 56.287 -0.065 0.000 0.933 106 K CB -0.222 32.239 32.500 -0.066 0.000 0.717 106 K HN 0.485 nan 8.250 nan 0.000 0.442 107 D N 0.414 120.827 120.400 0.022 0.000 2.144 107 D HA -0.133 4.508 4.640 0.000 0.000 0.199 107 D C 1.969 178.282 176.300 0.022 0.000 0.984 107 D CA 0.954 54.979 54.000 0.041 0.000 0.834 107 D CB -0.091 40.781 40.800 0.119 0.000 0.955 107 D HN -0.041 nan 8.370 nan 0.000 0.465 108 V N 1.163 121.114 119.914 0.061 0.000 2.261 108 V HA -0.219 3.901 4.120 0.000 0.000 0.246 108 V C 2.598 178.671 176.094 -0.036 0.000 1.047 108 V CA 1.638 63.952 62.300 0.023 0.000 1.015 108 V CB -0.437 31.427 31.823 0.070 0.000 0.642 108 V HN 0.120 nan 8.190 nan 0.000 0.446 109 R N 0.267 120.736 120.500 -0.053 0.000 2.148 109 R HA -0.130 4.210 4.340 0.000 0.000 0.227 109 R C 1.786 178.048 176.300 -0.063 0.000 1.103 109 R CA 1.511 57.566 56.100 -0.075 0.000 0.983 109 R CB -0.187 30.047 30.300 -0.111 0.000 0.874 109 R HN 0.503 nan 8.270 nan 0.000 0.451 110 N N 0.783 119.451 118.700 -0.053 0.000 2.463 110 N HA 0.020 4.760 4.740 0.000 0.000 0.181 110 N C 0.075 175.555 175.510 -0.049 0.000 1.078 110 N CA 0.628 53.650 53.050 -0.046 0.000 0.902 110 N CB 0.223 38.688 38.487 -0.038 0.000 0.970 110 N HN 0.222 nan 8.380 nan 0.000 0.451 111 L N 0.638 121.826 121.223 -0.059 0.000 3.487 111 L HA -0.196 4.144 4.340 0.000 0.000 0.450 111 L C -0.308 176.517 176.870 -0.074 0.000 1.290 111 L CA -0.262 54.534 54.840 -0.074 0.000 0.874 111 L CB -2.422 39.599 42.059 -0.065 0.000 1.804 111 L HN -0.045 nan 8.230 nan 0.000 0.831 112 S N 0.012 115.667 115.700 -0.075 0.000 2.569 112 S HA 0.117 4.587 4.470 0.000 0.000 0.274 112 S C 1.502 176.046 174.600 -0.093 0.000 1.353 112 S CA 0.179 58.337 58.200 -0.071 0.000 1.023 112 S CB 1.486 64.649 63.200 -0.062 0.000 0.876 112 S HN 0.619 nan 8.310 nan 0.000 0.540 113 S N 2.981 118.641 115.700 -0.066 0.000 2.348 113 S HA -0.201 4.269 4.470 0.000 0.000 0.221 113 S C 1.798 176.346 174.600 -0.086 0.000 1.033 113 S CA 1.182 59.347 58.200 -0.058 0.000 1.010 113 S CB -0.513 62.668 63.200 -0.031 0.000 0.891 113 S HN 0.850 nan 8.310 nan 0.000 0.442 114 K N 2.513 122.858 120.400 -0.091 0.000 2.057 114 K HA 0.053 4.373 4.320 0.000 0.000 0.207 114 K C 2.345 178.756 176.600 -0.314 0.000 1.049 114 K CA 1.301 57.516 56.287 -0.120 0.000 0.931 114 K CB -0.763 31.707 32.500 -0.050 0.000 0.714 114 K HN 0.352 nan 8.250 nan 0.000 0.440 115 A N 2.363 124.901 122.820 -0.469 0.000 1.858 115 A HA -0.126 4.194 4.320 0.000 0.000 0.216 115 A C 2.514 179.787 177.584 -0.519 0.000 1.190 115 A CA 2.166 53.671 52.037 -0.887 0.000 0.617 115 A CB -1.014 17.669 19.000 -0.530 0.000 0.827 115 A HN 0.360 nan 8.150 nan 0.000 0.443 116 V N -1.476 118.243 119.914 -0.325 0.000 2.759 116 V HA -0.148 3.972 4.120 0.000 0.000 0.256 116 V C 1.695 177.590 176.094 -0.332 0.000 1.080 116 V CA 2.332 64.422 62.300 -0.350 0.000 1.101 116 V CB -0.905 30.724 31.823 -0.325 0.000 0.698 116 V HN 0.513 nan 8.190 nan 0.000 0.477 117 N N -0.168 118.430 118.700 -0.169 0.000 2.250 117 N HA -0.145 4.595 4.740 0.000 0.000 0.181 117 N C 1.878 177.363 175.510 -0.041 0.000 1.017 117 N CA 1.546 54.578 53.050 -0.029 0.000 0.866 117 N CB -0.451 38.037 38.487 0.001 0.000 0.985 117 N HN 0.748 nan 8.380 nan 0.000 0.429 118 H N 1.210 120.161 119.070 -0.199 0.000 2.321 118 H HA -0.065 4.491 4.556 0.000 0.000 0.300 118 H C 1.823 177.089 175.328 -0.102 0.000 1.087 118 H CA 1.041 56.999 56.048 -0.151 0.000 1.319 118 H CB 0.285 29.956 29.762 -0.153 0.000 1.379 118 H HN 0.037 nan 8.280 nan 0.000 0.501 119 I N 1.026 121.528 120.570 -0.114 0.000 2.118 119 I HA -0.303 3.867 4.170 0.000 0.000 0.241 119 I C 2.340 178.424 176.117 -0.055 0.000 1.070 119 I CA 1.490 62.730 61.300 -0.100 0.000 1.327 119 I CB -1.735 36.147 38.000 -0.196 0.000 1.034 119 I HN 0.409 nan 8.210 nan 0.000 0.405 120 H N 0.302 119.339 119.070 -0.055 0.000 2.352 120 H HA -0.148 4.408 4.556 0.000 0.000 0.299 120 H C 2.516 177.849 175.328 0.008 0.000 1.097 120 H CA 1.765 57.804 56.048 -0.015 0.000 1.311 120 H CB 0.086 29.823 29.762 -0.043 0.000 1.377 120 H HN 0.427 nan 8.280 nan 0.000 0.504 121 S N 0.221 115.944 115.700 0.038 0.000 2.368 121 S HA -0.132 4.338 4.470 0.000 0.000 0.224 121 S C 2.294 176.832 174.600 -0.103 0.000 1.029 121 S CA 1.231 59.396 58.200 -0.058 0.000 0.988 121 S CB -0.727 62.383 63.200 -0.150 0.000 0.838 121 S HN 0.158 nan 8.310 nan 0.000 0.462 122 V N 0.941 120.743 119.914 -0.186 0.000 2.343 122 V HA -0.143 3.977 4.120 0.000 0.000 0.247 122 V C 2.248 178.346 176.094 0.008 0.000 1.051 122 V CA 1.916 64.126 62.300 -0.149 0.000 1.036 122 V CB -1.064 30.662 31.823 -0.162 0.000 0.654 122 V HN 0.716 nan 8.190 nan 0.000 0.451 123 W N 1.050 122.303 121.300 -0.078 0.000 2.354 123 W HA -0.193 4.467 4.660 0.000 0.000 0.315 123 W C 2.543 179.041 176.519 -0.035 0.000 1.206 123 W CA 2.198 59.523 57.345 -0.033 0.000 1.290 123 W CB -0.263 29.205 29.460 0.012 0.000 1.152 123 W HN 0.178 nan 8.180 nan 0.000 0.489 124 K N 0.761 121.262 120.400 0.168 0.000 2.044 124 K HA -0.288 4.032 4.320 0.000 0.000 0.210 124 K C 1.639 178.191 176.600 -0.079 0.000 1.049 124 K CA 2.432 58.746 56.287 0.045 0.000 0.927 124 K CB -0.817 31.715 32.500 0.055 0.000 0.713 124 K HN 0.095 nan 8.250 nan 0.000 0.443 125 D N 0.026 120.375 120.400 -0.085 0.000 2.178 125 D HA -0.151 4.489 4.640 0.000 0.000 0.201 125 D C 1.888 178.098 176.300 -0.150 0.000 0.980 125 D CA 0.486 54.422 54.000 -0.107 0.000 0.842 125 D CB 0.116 40.853 40.800 -0.104 0.000 0.948 125 D HN 0.059 nan 8.370 nan 0.000 0.472 126 L N 0.226 121.316 121.223 -0.222 0.000 2.056 126 L HA -0.022 4.318 4.340 0.000 0.000 0.207 126 L C 2.168 178.862 176.870 -0.293 0.000 1.078 126 L CA 1.342 56.010 54.840 -0.288 0.000 0.749 126 L CB -0.913 40.878 42.059 -0.446 0.000 0.901 126 L HN 0.258 nan 8.230 nan 0.000 0.433 127 L N -1.147 119.877 121.223 -0.333 0.000 2.141 127 L HA -0.164 4.176 4.340 0.000 0.000 0.209 127 L C 2.200 178.985 176.870 -0.142 0.000 1.094 127 L CA 0.951 55.644 54.840 -0.245 0.000 0.763 127 L CB -0.337 41.589 42.059 -0.222 0.000 0.908 127 L HN 0.329 nan 8.230 nan 0.000 0.437 128 E N -1.158 118.971 120.200 -0.119 0.000 2.276 128 E HA -0.036 4.314 4.350 0.000 0.000 0.193 128 E C 0.269 176.825 176.600 -0.073 0.000 0.983 128 E CA 0.180 56.532 56.400 -0.079 0.000 0.861 128 E CB 0.294 29.957 29.700 -0.062 0.000 0.817 128 E HN 0.188 nan 8.360 nan 0.000 0.485 129 D N 0.129 120.477 120.400 -0.087 0.000 2.408 129 D HA 0.129 4.769 4.640 0.000 0.000 0.243 129 D C -0.391 175.859 176.300 -0.084 0.000 1.075 129 D CA -0.342 53.615 54.000 -0.072 0.000 0.832 129 D CB 1.629 42.390 40.800 -0.064 0.000 1.162 129 D HN -0.206 nan 8.370 nan 0.000 0.515 130 T N 1.765 116.278 114.554 -0.068 0.000 3.132 130 T HA 0.120 4.470 4.350 0.000 0.000 0.274 130 T C 1.228 175.898 174.700 -0.051 0.000 1.011 130 T CA 0.128 62.187 62.100 -0.069 0.000 0.899 130 T CB 0.464 69.296 68.868 -0.060 0.000 1.089 130 T HN 0.348 nan 8.240 nan 0.000 0.543 131 V N -0.868 119.021 119.914 -0.042 0.000 3.251 131 V HA 0.268 4.388 4.120 0.000 0.000 0.239 131 V C 0.493 176.576 176.094 -0.018 0.000 1.332 131 V CA 0.202 62.486 62.300 -0.027 0.000 1.224 131 V CB -0.158 31.652 31.823 -0.022 0.000 1.004 131 V HN 0.237 nan 8.190 nan 0.000 0.464 132 T N 4.918 119.460 114.554 -0.020 0.000 2.758 132 T HA 0.239 4.589 4.350 0.000 0.000 0.281 132 T C -2.430 172.267 174.700 -0.005 0.000 0.963 132 T CA -0.123 61.973 62.100 -0.007 0.000 1.201 132 T CB 0.276 69.139 68.868 -0.009 0.000 0.906 132 T HN 0.439 nan 8.240 nan 0.000 0.528 133 P HA 0.088 nan 4.420 nan 0.000 0.263 133 P C 0.004 177.297 177.300 -0.012 0.000 1.175 133 P CA 0.057 63.169 63.100 0.019 0.000 0.761 133 P CB 0.363 32.123 31.700 0.102 0.000 0.794 134 I N 2.365 122.907 120.570 -0.046 0.000 2.532 134 I HA 0.127 4.297 4.170 0.000 0.000 0.292 134 I C 0.916 177.006 176.117 -0.046 0.000 1.014 134 I CA -0.245 61.032 61.300 -0.038 0.000 1.340 134 I CB 0.770 38.736 38.000 -0.056 0.000 1.422 134 I HN 0.308 nan 8.210 nan 0.000 0.528 135 D N 3.571 123.961 120.400 -0.018 0.000 2.345 135 D HA 0.306 4.946 4.640 0.000 0.000 0.247 135 D C -0.533 175.723 176.300 -0.073 0.000 1.108 135 D CA 0.089 54.065 54.000 -0.041 0.000 0.894 135 D CB 0.873 41.667 40.800 -0.010 0.000 1.203 135 D HN 0.581 nan 8.370 nan 0.000 0.430 136 T N -0.678 113.802 114.554 -0.122 0.000 2.906 136 T HA 0.625 4.975 4.350 0.000 0.000 0.295 136 T C -0.356 174.186 174.700 -0.263 0.000 1.075 136 T CA -0.926 61.064 62.100 -0.184 0.000 1.005 136 T CB 1.525 70.316 68.868 -0.128 0.000 1.136 136 T HN 0.206 nan 8.240 nan 0.000 0.498 137 T N 2.161 116.407 114.554 -0.513 0.000 2.867 137 T HA 0.630 4.980 4.350 0.000 0.000 0.282 137 T C -0.502 174.001 174.700 -0.327 0.000 1.000 137 T CA -0.665 61.120 62.100 -0.525 0.000 1.042 137 T CB 0.869 69.179 68.868 -0.930 0.000 0.973 137 T HN 0.727 nan 8.240 nan 0.000 0.465 138 I N 3.645 124.164 120.570 -0.084 0.000 2.474 138 I HA 0.577 4.747 4.170 0.000 0.000 0.294 138 I C -1.172 175.014 176.117 0.115 0.000 1.005 138 I CA -0.894 60.447 61.300 0.069 0.000 1.113 138 I CB 0.999 39.066 38.000 0.112 0.000 1.289 138 I HN 0.428 nan 8.210 nan 0.000 0.436 139 M N 5.763 125.466 119.600 0.173 0.000 2.618 139 M HA 0.483 4.963 4.480 0.000 0.000 0.281 139 M C -0.802 175.565 176.300 0.112 0.000 1.267 139 M CA -0.595 54.796 55.300 0.151 0.000 0.845 139 M CB 1.866 34.593 32.600 0.213 0.000 1.732 139 M HN 0.585 nan 8.290 nan 0.000 0.461 140 A N 1.818 124.685 122.820 0.077 0.000 2.289 140 A HA 0.530 4.850 4.320 0.000 0.000 0.298 140 A C -0.059 177.557 177.584 0.053 0.000 1.208 140 A CA -0.442 51.629 52.037 0.057 0.000 0.845 140 A CB 0.381 19.404 19.000 0.039 0.000 1.125 140 A HN 0.756 nan 8.150 nan 0.000 0.517 141 K N 1.393 121.824 120.400 0.051 0.000 2.168 141 K HA 0.155 4.475 4.320 0.000 0.000 0.258 141 K C -0.352 176.247 176.600 -0.001 0.000 1.010 141 K CA -0.034 56.267 56.287 0.024 0.000 0.929 141 K CB 0.550 33.069 32.500 0.032 0.000 0.998 141 K HN 0.793 nan 8.250 nan 0.000 0.479 142 N N 2.880 121.548 118.700 -0.054 0.000 2.851 142 N HA 0.047 4.787 4.740 0.000 0.000 0.248 142 N C -1.348 174.016 175.510 -0.244 0.000 1.221 142 N CA -0.248 52.735 53.050 -0.113 0.000 0.847 142 N CB 0.830 39.263 38.487 -0.090 0.000 1.150 142 N HN 0.509 nan 8.380 nan 0.000 0.507 143 E N 0.177 120.201 120.200 -0.294 0.000 2.195 143 E HA 0.358 4.708 4.350 0.000 0.000 0.271 143 E C -0.135 175.922 176.600 -0.905 0.000 0.923 143 E CA -0.931 55.141 56.400 -0.546 0.000 0.790 143 E CB 2.411 31.832 29.700 -0.464 0.000 1.155 143 E HN 0.033 nan 8.360 nan 0.000 0.402 144 V N 1.354 120.630 119.914 -1.063 0.000 2.863 144 V HA 0.691 4.811 4.120 0.000 0.000 0.307 144 V C -1.102 174.220 176.094 -1.287 0.000 1.061 144 V CA -0.119 61.528 62.300 -1.088 0.000 1.024 144 V CB 0.149 31.429 31.823 -0.906 0.000 1.049 144 V HN 0.758 nan 8.190 nan 0.000 0.471 145 F N 2.252 121.813 119.950 -0.648 0.000 3.016 145 F HA 0.678 5.205 4.527 0.000 0.000 0.324 145 F C -0.111 175.547 175.800 -0.237 0.000 1.196 145 F CA -0.581 57.164 58.000 -0.426 0.000 0.929 145 F CB 1.259 40.011 39.000 -0.414 0.000 1.440 145 F HN 0.829 nan 8.300 nan 0.000 0.505 146 C N 2.511 121.959 119.300 0.246 0.000 2.411 146 C HA 0.800 5.260 4.460 0.000 0.000 0.330 146 C C -0.041 175.180 174.990 0.386 0.000 1.224 146 C CA -0.731 58.445 59.018 0.262 0.000 1.770 146 C CB 0.238 28.066 27.740 0.147 0.000 2.297 146 C HN 0.739 nan 8.230 nan 0.000 0.507 147 V N 4.547 124.678 119.914 0.361 0.000 2.928 147 V HA 0.134 4.254 4.120 0.000 0.000 0.307 147 V C 0.433 176.592 176.094 0.107 0.000 1.105 147 V CA 0.113 62.532 62.300 0.198 0.000 1.223 147 V CB 0.025 31.881 31.823 0.055 0.000 0.930 147 V HN 1.089 nan 8.190 nan 0.000 0.499 148 Q N 4.804 124.628 119.800 0.040 0.000 2.304 148 Q HA 0.044 4.384 4.340 0.000 0.000 0.301 148 Q C -1.451 174.552 176.000 0.004 0.000 1.063 148 Q CA -0.311 55.495 55.803 0.006 0.000 0.947 148 Q CB 0.691 29.412 28.738 -0.030 0.000 1.201 148 Q HN 0.714 nan 8.270 nan 0.000 0.389 149 P HA -0.286 nan 4.420 nan 0.000 0.222 149 P C -0.690 176.607 177.300 -0.003 0.000 1.147 149 P CA 1.826 64.927 63.100 0.001 0.000 0.958 149 P CB -0.117 31.578 31.700 -0.008 0.000 0.788 150 E N 0.926 121.118 120.200 -0.013 0.000 2.299 150 E HA 0.005 4.355 4.350 0.000 0.000 0.272 150 E C 0.030 176.617 176.600 -0.022 0.000 1.043 150 E CA -0.214 56.176 56.400 -0.017 0.000 0.895 150 E CB 0.042 29.730 29.700 -0.021 0.000 1.011 150 E HN 0.155 nan 8.360 nan 0.000 0.432 151 K N 2.332 122.720 120.400 -0.021 0.000 2.264 151 K HA -0.088 4.232 4.320 0.000 0.000 0.262 151 K C 0.584 177.161 176.600 -0.039 0.000 1.247 151 K CA 1.323 57.593 56.287 -0.028 0.000 1.248 151 K CB -0.459 32.023 32.500 -0.029 0.000 0.825 151 K HN 0.908 nan 8.250 nan 0.000 0.468 152 G N 2.378 111.146 108.800 -0.053 0.000 2.067 152 G HA2 -0.168 3.792 3.960 0.000 0.000 0.080 152 G HA3 -0.168 3.792 3.960 0.000 0.000 0.080 152 G C 0.261 175.099 174.900 -0.104 0.000 2.159 152 G CA -0.241 44.815 45.100 -0.074 0.000 1.192 152 G HN 0.745 nan 8.290 nan 0.000 0.351 153 G N 1.885 110.636 108.800 -0.083 0.000 2.925 153 G HA2 0.201 4.161 3.960 0.000 0.000 0.316 153 G HA3 0.201 4.161 3.960 0.000 0.000 0.316 153 G C 0.192 175.007 174.900 -0.142 0.000 0.265 153 G CA 1.213 46.258 45.100 -0.091 0.000 1.208 153 G HN 0.610 nan 8.290 nan 0.000 0.208 154 R N 1.896 122.283 120.500 -0.190 0.000 2.670 154 R HA 0.333 4.673 4.340 0.000 0.000 0.289 154 R C -0.256 175.988 176.300 -0.093 0.000 0.965 154 R CA -1.111 54.797 56.100 -0.319 0.000 0.899 154 R CB 1.609 31.572 30.300 -0.561 0.000 1.173 154 R HN 0.363 nan 8.270 nan 0.000 0.456 155 K N 3.281 123.726 120.400 0.074 0.000 2.298 155 K HA 0.204 4.525 4.320 0.000 0.000 0.280 155 K C -2.185 174.468 176.600 0.089 0.000 1.032 155 K CA -1.305 55.003 56.287 0.034 0.000 0.958 155 K CB 0.557 32.989 32.500 -0.115 0.000 0.978 155 K HN 0.265 nan 8.250 nan 0.000 0.472 156 P HA 0.109 nan 4.420 nan 0.000 0.279 156 P C -0.833 176.510 177.300 0.071 0.000 1.239 156 P CA -0.494 62.631 63.100 0.041 0.000 0.789 156 P CB 1.183 32.886 31.700 0.005 0.000 0.933 157 A N 4.757 127.629 122.820 0.086 0.000 2.586 157 A HA -0.007 4.313 4.320 0.000 0.000 0.231 157 A C 0.713 178.344 177.584 0.078 0.000 1.055 157 A CA 0.282 52.377 52.037 0.097 0.000 0.756 157 A CB -0.231 18.811 19.000 0.071 0.000 0.988 157 A HN 0.501 nan 8.150 nan 0.000 0.509 158 R N 0.134 120.693 120.500 0.099 0.000 2.528 158 R HA 0.508 4.848 4.340 0.000 0.000 0.271 158 R C -0.851 175.500 176.300 0.085 0.000 1.056 158 R CA -0.429 55.728 56.100 0.096 0.000 1.117 158 R CB 0.615 30.985 30.300 0.118 0.000 1.085 158 R HN 0.667 nan 8.270 nan 0.000 0.530 159 L N 2.966 124.245 121.223 0.093 0.000 2.296 159 L HA 0.452 4.792 4.340 0.000 0.000 0.286 159 L C -0.162 176.792 176.870 0.140 0.000 1.023 159 L CA -0.863 54.037 54.840 0.100 0.000 0.812 159 L CB 1.390 43.495 42.059 0.077 0.000 1.223 159 L HN 0.435 nan 8.230 nan 0.000 0.421 160 I N 3.560 124.224 120.570 0.157 0.000 2.566 160 I HA 0.559 4.729 4.170 0.000 0.000 0.303 160 I C -0.674 175.609 176.117 0.277 0.000 0.983 160 I CA -0.255 61.165 61.300 0.201 0.000 1.235 160 I CB 1.824 39.923 38.000 0.166 0.000 1.386 160 I HN 0.264 nan 8.210 nan 0.000 0.494 161 V N 8.304 128.404 119.914 0.309 0.000 2.567 161 V HA 0.501 4.621 4.120 0.000 0.000 0.298 161 V C -0.939 175.353 176.094 0.330 0.000 1.047 161 V CA -0.434 62.024 62.300 0.264 0.000 0.880 161 V CB 1.039 32.982 31.823 0.200 0.000 1.009 161 V HN 0.629 nan 8.190 nan 0.000 0.429 162 F N 5.111 125.104 119.950 0.073 0.000 2.613 162 F HA 0.953 5.480 4.527 0.000 0.000 0.310 162 F C -2.952 172.885 175.800 0.062 0.000 1.085 162 F CA -2.474 55.570 58.000 0.073 0.000 0.945 162 F CB 1.927 40.966 39.000 0.065 0.000 1.298 162 F HN 0.290 nan 8.300 nan 0.000 0.455 163 P HA 0.135 nan 4.420 nan 0.000 0.279 163 P C -1.197 176.185 177.300 0.138 0.000 1.282 163 P CA -0.090 63.053 63.100 0.072 0.000 0.788 163 P CB 1.037 32.803 31.700 0.110 0.000 1.139 164 D N -1.084 119.396 120.400 0.132 0.000 2.341 164 D HA 0.024 4.664 4.640 0.000 0.000 0.245 164 D C 1.380 177.811 176.300 0.218 0.000 1.106 164 D CA -0.465 53.649 54.000 0.189 0.000 0.905 164 D CB 0.320 41.291 40.800 0.285 0.000 1.202 164 D HN 0.085 nan 8.370 nan 0.000 0.426 165 L N 3.720 125.053 121.223 0.184 0.000 2.085 165 L HA -0.117 4.223 4.340 0.000 0.000 0.218 165 L C 1.979 178.979 176.870 0.217 0.000 1.080 165 L CA 2.729 57.661 54.840 0.153 0.000 0.776 165 L CB -1.144 40.937 42.059 0.036 0.000 0.891 165 L HN 0.674 nan 8.230 nan 0.000 0.437 166 G N -1.585 107.404 108.800 0.315 0.000 2.432 166 G HA2 -0.156 3.804 3.960 0.000 0.000 0.219 166 G HA3 -0.156 3.804 3.960 0.000 0.000 0.219 166 G C 1.468 176.498 174.900 0.217 0.000 1.135 166 G CA 0.992 46.313 45.100 0.368 0.000 0.767 166 G HN 0.397 nan 8.290 nan 0.000 0.550 167 V N 0.340 120.368 119.914 0.190 0.000 2.379 167 V HA -0.080 4.040 4.120 0.000 0.000 0.245 167 V C 2.804 178.989 176.094 0.152 0.000 1.044 167 V CA 1.755 64.139 62.300 0.139 0.000 1.036 167 V CB -0.486 31.402 31.823 0.109 0.000 0.664 167 V HN 0.238 nan 8.190 nan 0.000 0.453 168 R N -0.269 120.328 120.500 0.162 0.000 2.127 168 R HA -0.129 4.211 4.340 0.000 0.000 0.238 168 R C 2.189 178.562 176.300 0.123 0.000 1.134 168 R CA 1.322 57.511 56.100 0.150 0.000 0.975 168 R CB -0.490 29.895 30.300 0.141 0.000 0.865 168 R HN 0.392 nan 8.270 nan 0.000 0.447 169 V N -0.565 119.419 119.914 0.117 0.000 2.453 169 V HA -0.280 3.840 4.120 0.000 0.000 0.247 169 V C 2.229 178.379 176.094 0.094 0.000 1.048 169 V CA 1.500 63.843 62.300 0.072 0.000 1.049 169 V CB -0.191 31.668 31.823 0.059 0.000 0.672 169 V HN 0.510 nan 8.190 nan 0.000 0.457 170 C N -0.310 119.091 119.300 0.169 0.000 2.446 170 C HA -0.135 4.325 4.460 0.000 0.000 0.277 170 C C 2.634 177.819 174.990 0.324 0.000 1.275 170 C CA 0.778 59.984 59.018 0.313 0.000 1.727 170 C CB -0.925 27.056 27.740 0.402 0.000 2.010 170 C HN 0.608 nan 8.230 nan 0.000 0.486 171 E N 0.810 121.148 120.200 0.230 0.000 2.097 171 E HA -0.245 4.105 4.350 0.000 0.000 0.196 171 E C 2.175 178.906 176.600 0.218 0.000 1.000 171 E CA 1.330 57.870 56.400 0.233 0.000 0.804 171 E CB -0.122 29.718 29.700 0.233 0.000 0.740 171 E HN 0.614 nan 8.360 nan 0.000 0.454 172 K N 0.213 120.712 120.400 0.164 0.000 2.009 172 K HA -0.148 4.172 4.320 0.000 0.000 0.210 172 K C 2.198 178.878 176.600 0.134 0.000 1.049 172 K CA 1.637 58.003 56.287 0.131 0.000 0.929 172 K CB -0.147 32.349 32.500 -0.005 0.000 0.714 172 K HN 0.104 nan 8.250 nan 0.000 0.440 173 M N 0.096 119.742 119.600 0.076 0.000 2.149 173 M HA -0.191 4.289 4.480 0.000 0.000 0.261 173 M C 2.322 178.696 176.300 0.123 0.000 1.064 173 M CA 1.727 57.027 55.300 0.000 0.000 1.102 173 M CB -0.242 32.211 32.600 -0.245 0.000 1.369 173 M HN 0.247 nan 8.290 nan 0.000 0.408 174 A N -0.373 122.621 122.820 0.290 0.000 1.903 174 A HA 0.057 4.377 4.320 0.000 0.000 0.213 174 A C 1.891 179.582 177.584 0.178 0.000 1.185 174 A CA 1.095 53.334 52.037 0.337 0.000 0.628 174 A CB -0.225 19.005 19.000 0.385 0.000 0.830 174 A HN 0.479 nan 8.150 nan 0.000 0.446 175 L N -3.060 118.252 121.223 0.149 0.000 2.781 175 L HA 0.162 4.502 4.340 0.000 0.000 0.245 175 L C 2.020 178.919 176.870 0.049 0.000 1.118 175 L CA 0.075 54.938 54.840 0.039 0.000 0.918 175 L CB -0.138 41.910 42.059 -0.019 0.000 1.246 175 L HN 0.436 nan 8.230 nan 0.000 0.526 176 Y N 1.970 122.287 120.300 0.028 0.000 2.062 176 Y HA -0.410 4.140 4.550 0.000 0.000 0.276 176 Y C 2.234 178.162 175.900 0.048 0.000 1.189 176 Y CA 2.370 60.498 58.100 0.047 0.000 1.130 176 Y CB -0.145 38.331 38.460 0.028 0.000 0.959 176 Y HN 0.266 nan 8.280 nan 0.000 0.499 177 D N -0.818 119.575 120.400 -0.012 0.000 2.104 177 D HA -0.179 4.461 4.640 0.000 0.000 0.194 177 D C 2.207 178.419 176.300 -0.147 0.000 0.994 177 D CA 1.774 55.722 54.000 -0.086 0.000 0.830 177 D CB -0.327 40.485 40.800 0.021 0.000 0.959 177 D HN 0.252 nan 8.370 nan 0.000 0.452 178 V N -0.056 119.784 119.914 -0.123 0.000 2.223 178 V HA -0.228 3.892 4.120 0.000 0.000 0.244 178 V C 2.665 178.633 176.094 -0.210 0.000 1.045 178 V CA 1.522 63.726 62.300 -0.160 0.000 1.000 178 V CB -0.668 31.029 31.823 -0.211 0.000 0.635 178 V HN 0.131 nan 8.190 nan 0.000 0.445 179 V N 1.142 120.913 119.914 -0.237 0.000 2.660 179 V HA -0.187 3.933 4.120 0.000 0.000 0.257 179 V C 2.083 178.033 176.094 -0.239 0.000 1.088 179 V CA 2.172 64.341 62.300 -0.218 0.000 1.106 179 V CB -0.701 31.035 31.823 -0.146 0.000 0.686 179 V HN 0.765 nan 8.190 nan 0.000 0.481 180 S N -3.002 112.539 115.700 -0.266 0.000 2.593 180 S HA 0.134 4.604 4.470 0.000 0.000 0.236 180 S C 1.056 175.534 174.600 -0.203 0.000 0.991 180 S CA 0.314 58.367 58.200 -0.245 0.000 0.963 180 S CB 0.812 63.877 63.200 -0.224 0.000 0.865 180 S HN 0.499 nan 8.310 nan 0.000 0.488 181 T N 1.224 115.653 114.554 -0.209 0.000 3.177 181 T HA 0.286 4.636 4.350 0.000 0.000 0.262 181 T C 1.413 175.991 174.700 -0.203 0.000 0.959 181 T CA 0.182 62.178 62.100 -0.173 0.000 0.996 181 T CB -0.312 68.486 68.868 -0.118 0.000 1.185 181 T HN 0.264 nan 8.240 nan 0.000 0.486 182 L N 2.418 123.524 121.223 -0.194 0.000 2.017 182 L HA 0.057 4.397 4.340 0.000 0.000 0.208 182 L C -1.102 175.605 176.870 -0.273 0.000 1.073 182 L CA 1.445 56.180 54.840 -0.175 0.000 0.745 182 L CB -0.938 41.069 42.059 -0.087 0.000 0.894 182 L HN 0.096 nan 8.230 nan 0.000 0.432 183 P HA -0.252 nan 4.420 nan 0.000 0.216 183 P C 1.316 178.163 177.300 -0.756 0.000 1.150 183 P CA 1.631 64.356 63.100 -0.626 0.000 0.843 183 P CB -0.072 31.066 31.700 -0.936 0.000 0.787 184 Q N -0.424 118.917 119.800 -0.766 0.000 2.083 184 Q HA -0.097 4.243 4.340 0.000 0.000 0.198 184 Q C 1.954 177.801 176.000 -0.255 0.000 0.969 184 Q CA 1.203 56.742 55.803 -0.441 0.000 0.838 184 Q CB -0.383 28.190 28.738 -0.274 0.000 0.900 184 Q HN 0.013 nan 8.270 nan 0.000 0.436 185 V N 0.185 119.963 119.914 -0.226 0.000 2.255 185 V HA -0.271 3.849 4.120 0.000 0.000 0.247 185 V C 2.343 178.349 176.094 -0.146 0.000 1.051 185 V CA 1.664 63.875 62.300 -0.148 0.000 1.018 185 V CB -0.539 31.213 31.823 -0.119 0.000 0.641 185 V HN 0.250 nan 8.190 nan 0.000 0.445 186 V N -0.610 119.193 119.914 -0.186 0.000 2.261 186 V HA -0.293 3.827 4.120 0.000 0.000 0.246 186 V C 2.119 178.059 176.094 -0.256 0.000 1.047 186 V CA 2.534 64.721 62.300 -0.188 0.000 1.015 186 V CB -0.521 31.177 31.823 -0.207 0.000 0.642 186 V HN 0.485 nan 8.190 nan 0.000 0.446 187 M N -0.932 118.448 119.600 -0.367 0.000 2.428 187 M HA 0.319 4.799 4.480 0.000 0.000 0.239 187 M C 1.420 177.624 176.300 -0.159 0.000 1.121 187 M CA 0.659 55.683 55.300 -0.460 0.000 1.019 187 M CB 0.074 32.294 32.600 -0.634 0.000 1.485 187 M HN 0.501 nan 8.290 nan 0.000 0.484 188 G N 1.549 110.279 108.800 -0.116 0.000 2.627 188 G HA2 -0.414 3.546 3.960 0.000 0.000 0.312 188 G HA3 -0.414 3.546 3.960 0.000 0.000 0.312 188 G C 0.909 175.768 174.900 -0.068 0.000 1.299 188 G CA 0.980 46.043 45.100 -0.061 0.000 0.989 188 G HN 0.545 nan 8.290 nan 0.000 0.547 189 S N -0.904 114.764 115.700 -0.053 0.000 2.469 189 S HA 0.004 4.474 4.470 0.000 0.000 0.238 189 S C 2.232 176.710 174.600 -0.203 0.000 0.998 189 S CA 2.022 60.113 58.200 -0.183 0.000 0.957 189 S CB -0.207 62.918 63.200 -0.125 0.000 0.764 189 S HN 0.986 nan 8.310 nan 0.000 0.514 190 S N 0.238 115.944 115.700 0.010 0.000 2.515 190 S HA 0.089 4.559 4.470 0.000 0.000 0.231 190 S C 0.267 174.893 174.600 0.044 0.000 0.987 190 S CA -0.006 58.258 58.200 0.107 0.000 0.936 190 S CB -0.456 62.929 63.200 0.308 0.000 0.766 190 S HN 0.711 nan 8.310 nan 0.000 0.528 191 Y N 2.939 123.139 120.300 -0.166 0.000 2.584 191 Y HA 0.429 4.979 4.550 0.000 0.000 0.351 191 Y C 1.268 177.024 175.900 -0.241 0.000 1.030 191 Y CA -1.300 56.679 58.100 -0.201 0.000 1.332 191 Y CB -0.005 38.321 38.460 -0.223 0.000 1.148 191 Y HN 0.054 nan 8.280 nan 0.000 0.528 192 G N 4.561 112.945 108.800 -0.694 0.000 2.471 192 G HA2 -0.242 3.718 3.960 0.000 0.000 0.219 192 G HA3 -0.242 3.718 3.960 0.000 0.000 0.219 192 G C 0.949 175.322 174.900 -0.877 0.000 1.125 192 G CA 0.169 44.865 45.100 -0.672 0.000 0.775 192 G HN 0.685 nan 8.290 nan 0.000 0.548 193 F N 0.786 120.107 119.950 -1.049 0.000 2.773 193 F HA 0.122 4.649 4.527 0.000 0.000 0.304 193 F C 2.589 178.285 175.800 -0.174 0.000 1.129 193 F CA 0.485 58.040 58.000 -0.741 0.000 1.378 193 F CB 0.297 38.778 39.000 -0.866 0.000 1.095 193 F HN 0.295 nan 8.300 nan 0.000 0.565 194 Q N -0.573 119.095 119.800 -0.220 0.000 2.360 194 Q HA 0.045 4.385 4.340 0.000 0.000 0.202 194 Q C -0.673 175.220 176.000 -0.178 0.000 0.915 194 Q CA 0.381 56.113 55.803 -0.118 0.000 0.943 194 Q CB -0.102 28.464 28.738 -0.287 0.000 1.064 194 Q HN 0.398 nan 8.270 nan 0.000 0.511 195 Y N 1.259 121.604 120.300 0.075 0.000 2.409 195 Y HA 0.375 4.925 4.550 0.000 0.000 0.339 195 Y C 0.546 176.355 175.900 -0.152 0.000 1.033 195 Y CA -1.058 57.023 58.100 -0.032 0.000 1.094 195 Y CB 1.702 40.093 38.460 -0.115 0.000 1.210 195 Y HN 0.093 nan 8.280 nan 0.000 0.456 196 S N 1.747 117.248 115.700 -0.331 0.000 2.686 196 S HA 0.342 4.812 4.470 0.000 0.000 0.270 196 S C -2.110 172.167 174.600 -0.539 0.000 1.194 196 S CA -1.138 56.351 58.200 -1.185 0.000 0.990 196 S CB 1.360 63.819 63.200 -1.234 0.000 1.029 196 S HN 0.393 nan 8.310 nan 0.000 0.560 197 P HA -0.001 nan 4.420 nan 0.000 0.214 197 P C 1.775 178.978 177.300 -0.161 0.000 1.163 197 P CA 1.825 64.775 63.100 -0.251 0.000 0.889 197 P CB -0.620 30.974 31.700 -0.177 0.000 0.790 198 G N -0.555 108.142 108.800 -0.172 0.000 2.442 198 G HA2 -0.285 3.675 3.960 0.000 0.000 0.219 198 G HA3 -0.285 3.675 3.960 0.000 0.000 0.219 198 G C 1.556 176.398 174.900 -0.097 0.000 1.141 198 G CA 0.664 45.712 45.100 -0.087 0.000 0.763 198 G HN 0.321 nan 8.290 nan 0.000 0.554 199 Q N -0.593 119.134 119.800 -0.122 0.000 2.119 199 Q HA -0.013 4.327 4.340 0.000 0.000 0.201 199 Q C 2.614 178.477 176.000 -0.228 0.000 0.972 199 Q CA 1.034 56.801 55.803 -0.060 0.000 0.847 199 Q CB -0.139 28.660 28.738 0.100 0.000 0.903 199 Q HN 0.491 nan 8.270 nan 0.000 0.433 200 R N 0.378 120.726 120.500 -0.254 0.000 2.075 200 R HA -0.126 4.214 4.340 0.000 0.000 0.232 200 R C 2.239 178.403 176.300 -0.226 0.000 1.126 200 R CA 1.319 57.198 56.100 -0.367 0.000 0.963 200 R CB -0.335 29.853 30.300 -0.188 0.000 0.858 200 R HN 0.247 nan 8.270 nan 0.000 0.435 201 V N 1.117 120.943 119.914 -0.147 0.000 2.358 201 V HA -0.197 3.923 4.120 0.000 0.000 0.246 201 V C 2.129 178.138 176.094 -0.143 0.000 1.047 201 V CA 2.413 64.639 62.300 -0.123 0.000 1.035 201 V CB -0.345 31.443 31.823 -0.059 0.000 0.658 201 V HN 0.546 nan 8.190 nan 0.000 0.452 202 E N -0.674 119.460 120.200 -0.111 0.000 2.058 202 E HA -0.312 4.038 4.350 0.000 0.000 0.194 202 E C 2.096 178.634 176.600 -0.103 0.000 0.997 202 E CA 2.197 58.542 56.400 -0.092 0.000 0.801 202 E CB -0.497 29.180 29.700 -0.037 0.000 0.746 202 E HN 0.723 nan 8.360 nan 0.000 0.450 203 F N 0.893 120.671 119.950 -0.287 0.000 2.134 203 F HA -0.161 4.366 4.527 0.000 0.000 0.299 203 F C 2.067 177.740 175.800 -0.212 0.000 1.097 203 F CA 1.233 59.060 58.000 -0.289 0.000 1.264 203 F CB -0.029 38.627 39.000 -0.573 0.000 1.001 203 F HN 0.019 nan 8.300 nan 0.000 0.479 204 L N -0.737 120.339 121.223 -0.246 0.000 2.027 204 L HA -0.214 4.126 4.340 0.000 0.000 0.206 204 L C 2.356 179.082 176.870 -0.240 0.000 1.074 204 L CA 0.955 55.641 54.840 -0.257 0.000 0.745 204 L CB -0.710 41.251 42.059 -0.165 0.000 0.898 204 L HN 0.002 nan 8.230 nan 0.000 0.433 205 V N 0.291 120.044 119.914 -0.268 0.000 2.233 205 V HA -0.346 3.774 4.120 0.000 0.000 0.247 205 V C 1.986 177.964 176.094 -0.195 0.000 1.050 205 V CA 2.475 64.590 62.300 -0.309 0.000 1.010 205 V CB -0.816 30.680 31.823 -0.545 0.000 0.637 205 V HN 0.525 nan 8.190 nan 0.000 0.444 206 N N -0.582 117.988 118.700 -0.216 0.000 2.223 206 N HA -0.163 4.577 4.740 0.000 0.000 0.185 206 N C 1.752 177.143 175.510 -0.198 0.000 1.016 206 N CA 1.599 54.546 53.050 -0.171 0.000 0.863 206 N CB -0.205 38.195 38.487 -0.146 0.000 0.983 206 N HN 0.437 nan 8.380 nan 0.000 0.429 207 T N -0.079 114.278 114.554 -0.329 0.000 2.867 207 T HA -0.151 4.199 4.350 0.000 0.000 0.268 207 T C 1.235 175.839 174.700 -0.161 0.000 1.057 207 T CA 0.667 62.554 62.100 -0.354 0.000 1.136 207 T CB -0.127 68.375 68.868 -0.609 0.000 0.874 207 T HN 0.455 nan 8.240 nan 0.000 0.466 208 W N 1.934 123.073 121.300 -0.268 0.000 2.443 208 W HA -0.018 4.642 4.660 0.000 0.000 0.296 208 W C 1.381 177.813 176.519 -0.145 0.000 1.202 208 W CA 0.733 57.965 57.345 -0.188 0.000 1.312 208 W CB -0.028 29.320 29.460 -0.187 0.000 1.120 208 W HN 0.066 nan 8.180 nan 0.000 0.536 209 K N 0.584 121.013 120.400 0.049 0.000 2.365 209 K HA -0.082 4.238 4.320 0.000 0.000 0.199 209 K C 1.947 178.496 176.600 -0.085 0.000 1.045 209 K CA 1.375 57.657 56.287 -0.010 0.000 0.962 209 K CB -0.952 31.545 32.500 -0.005 0.000 0.759 209 K HN 0.217 nan 8.250 nan 0.000 0.469 210 S N 0.043 115.674 115.700 -0.115 0.000 2.555 210 S HA 0.022 4.492 4.470 0.000 0.000 0.230 210 S C 0.635 175.152 174.600 -0.138 0.000 0.978 210 S CA 0.191 58.324 58.200 -0.113 0.000 0.934 210 S CB 0.035 63.166 63.200 -0.114 0.000 0.766 210 S HN -0.079 nan 8.310 nan 0.000 0.533 211 K N 2.024 122.299 120.400 -0.208 0.000 2.172 211 K HA 0.384 4.704 4.320 0.000 0.000 0.276 211 K C 0.810 177.289 176.600 -0.201 0.000 1.013 211 K CA -0.415 55.728 56.287 -0.240 0.000 0.913 211 K CB 1.294 33.558 32.500 -0.393 0.000 1.055 211 K HN 0.122 nan 8.250 nan 0.000 0.461 212 K N 1.498 121.810 120.400 -0.147 0.000 2.103 212 K HA -0.029 4.291 4.320 0.000 0.000 0.204 212 K C -0.060 176.469 176.600 -0.118 0.000 1.052 212 K CA 1.131 57.353 56.287 -0.107 0.000 0.945 212 K CB 0.262 32.717 32.500 -0.076 0.000 0.722 212 K HN 0.365 nan 8.250 nan 0.000 0.443 213 N N 0.777 119.390 118.700 -0.145 0.000 2.725 213 N HA 0.202 4.942 4.740 0.000 0.000 0.248 213 N C -2.954 172.436 175.510 -0.200 0.000 1.402 213 N CA -1.709 51.263 53.050 -0.131 0.000 0.766 213 N CB 1.610 40.050 38.487 -0.078 0.000 1.223 213 N HN 0.018 nan 8.380 nan 0.000 0.515 214 P HA 0.063 nan 4.420 nan 0.000 0.266 214 P C -0.392 176.586 177.300 -0.537 0.000 1.215 214 P CA -0.085 62.562 63.100 -0.756 0.000 0.763 214 P CB 0.818 31.507 31.700 -1.685 0.000 0.806 215 M N 3.421 122.797 119.600 -0.374 0.000 2.457 215 M HA 0.673 5.153 4.480 0.000 0.000 0.300 215 M C -0.981 175.276 176.300 -0.071 0.000 1.141 215 M CA -0.358 54.846 55.300 -0.160 0.000 0.901 215 M CB 2.580 35.161 32.600 -0.033 0.000 1.687 215 M HN 0.542 nan 8.290 nan 0.000 0.449 216 G N 3.802 112.663 108.800 0.102 0.000 2.690 216 G HA2 0.820 4.780 3.960 0.000 0.000 0.293 216 G HA3 0.820 4.780 3.960 0.000 0.000 0.293 216 G C -1.995 173.025 174.900 0.200 0.000 1.399 216 G CA -0.594 44.621 45.100 0.192 0.000 0.890 216 G HN 0.798 nan 8.290 nan 0.000 0.485 217 F N -0.618 119.294 119.950 -0.064 0.000 2.693 217 F HA 0.817 5.344 4.527 0.000 0.000 0.309 217 F C -0.366 175.410 175.800 -0.040 0.000 1.129 217 F CA -1.524 56.430 58.000 -0.076 0.000 0.948 217 F CB 1.434 40.369 39.000 -0.109 0.000 1.315 217 F HN 0.669 nan 8.300 nan 0.000 0.447 218 S N 0.952 116.708 115.700 0.094 0.000 2.501 218 S HA 0.662 5.132 4.470 0.000 0.000 0.301 218 S C -1.632 173.107 174.600 0.232 0.000 1.096 218 S CA -0.596 57.629 58.200 0.042 0.000 1.063 218 S CB 1.582 64.797 63.200 0.024 0.000 1.042 218 S HN 0.879 nan 8.310 nan 0.000 0.494 219 Y N 1.652 122.031 120.300 0.130 0.000 2.335 219 Y HA 0.496 5.046 4.550 0.000 0.000 0.338 219 Y C -0.918 175.087 175.900 0.176 0.000 0.977 219 Y CA -0.550 57.704 58.100 0.257 0.000 1.114 219 Y CB 1.551 40.272 38.460 0.435 0.000 1.182 219 Y HN 0.906 nan 8.280 nan 0.000 0.463 220 D N 4.405 124.724 120.400 -0.136 0.000 2.453 220 D HA 0.196 4.836 4.640 0.000 0.000 0.238 220 D C -0.784 175.492 176.300 -0.042 0.000 1.088 220 D CA -0.346 53.647 54.000 -0.012 0.000 0.854 220 D CB 1.109 41.884 40.800 -0.042 0.000 1.076 220 D HN 0.510 nan 8.370 nan 0.000 0.533 221 T N 2.379 117.089 114.554 0.260 0.000 2.909 221 T HA 0.348 4.698 4.350 0.000 0.000 0.286 221 T C 0.271 175.111 174.700 0.234 0.000 1.002 221 T CA -0.838 61.458 62.100 0.326 0.000 1.074 221 T CB 0.812 70.028 68.868 0.581 0.000 0.984 221 T HN 0.320 nan 8.240 nan 0.000 0.495 222 R N 2.472 123.061 120.500 0.148 0.000 2.401 222 R HA 0.201 4.541 4.340 0.000 0.000 0.299 222 R C 0.525 176.932 176.300 0.179 0.000 1.064 222 R CA -0.049 56.111 56.100 0.099 0.000 1.000 222 R CB -0.338 29.950 30.300 -0.019 0.000 0.973 222 R HN 1.022 nan 8.270 nan 0.000 0.438 223 C N 4.284 123.711 119.300 0.212 0.000 3.069 223 C HA -0.167 4.293 4.460 0.000 0.000 0.249 223 C C 1.642 176.844 174.990 0.354 0.000 1.370 223 C CA -0.135 59.061 59.018 0.297 0.000 2.276 223 C CB -3.037 24.922 27.740 0.366 0.000 1.466 223 C HN 0.965 nan 8.230 nan 0.000 0.470 224 F N 1.911 121.983 119.950 0.203 0.000 2.063 224 F HA -0.259 4.268 4.527 0.000 0.000 0.298 224 F C 2.015 177.931 175.800 0.194 0.000 1.105 224 F CA 2.573 60.691 58.000 0.198 0.000 1.215 224 F CB -0.093 39.010 39.000 0.173 0.000 0.972 224 F HN 0.436 nan 8.300 nan 0.000 0.483 225 D N -0.446 120.181 120.400 0.377 0.000 2.149 225 D HA -0.193 4.447 4.640 0.000 0.000 0.194 225 D C 2.471 178.848 176.300 0.127 0.000 1.001 225 D CA 1.797 55.950 54.000 0.255 0.000 0.849 225 D CB -0.503 40.465 40.800 0.280 0.000 0.939 225 D HN 0.262 nan 8.370 nan 0.000 0.449 226 S N -0.887 114.924 115.700 0.185 0.000 2.406 226 S HA -0.109 4.361 4.470 0.000 0.000 0.228 226 S C 2.047 176.635 174.600 -0.019 0.000 1.020 226 S CA 1.426 59.666 58.200 0.066 0.000 0.965 226 S CB -0.281 63.042 63.200 0.205 0.000 0.798 226 S HN 0.551 nan 8.310 nan 0.000 0.488 227 T N -0.005 114.627 114.554 0.130 0.000 3.035 227 T HA 0.069 4.419 4.350 0.000 0.000 0.268 227 T C 0.639 175.278 174.700 -0.102 0.000 1.109 227 T CA 0.189 62.339 62.100 0.083 0.000 1.119 227 T CB -0.501 68.403 68.868 0.060 0.000 0.900 227 T HN 0.041 nan 8.240 nan 0.000 0.503 228 V N 4.285 124.097 119.914 -0.171 0.000 2.409 228 V HA 0.217 4.337 4.120 0.000 0.000 0.270 228 V C 1.275 177.309 176.094 -0.099 0.000 1.019 228 V CA -0.096 62.111 62.300 -0.155 0.000 1.066 228 V CB -0.651 31.111 31.823 -0.103 0.000 1.021 228 V HN 0.732 nan 8.190 nan 0.000 0.476 229 T N 1.810 116.317 114.554 -0.078 0.000 2.828 229 T HA 0.218 4.568 4.350 0.000 0.000 0.290 229 T C 1.149 175.821 174.700 -0.046 0.000 1.019 229 T CA -0.532 61.528 62.100 -0.066 0.000 1.031 229 T CB 1.057 69.893 68.868 -0.053 0.000 1.001 229 T HN 0.675 nan 8.240 nan 0.000 0.531 230 E N 0.924 121.098 120.200 -0.045 0.000 2.070 230 E HA -0.254 4.096 4.350 0.000 0.000 0.197 230 E C 1.974 178.568 176.600 -0.011 0.000 1.004 230 E CA 1.186 57.572 56.400 -0.022 0.000 0.805 230 E CB -0.299 29.387 29.700 -0.022 0.000 0.744 230 E HN 0.750 nan 8.360 nan 0.000 0.451 231 N N 1.103 119.792 118.700 -0.018 0.000 2.364 231 N HA -0.157 4.583 4.740 0.000 0.000 0.183 231 N C 1.147 176.659 175.510 0.003 0.000 1.022 231 N CA 0.921 53.965 53.050 -0.010 0.000 0.883 231 N CB 0.092 38.565 38.487 -0.023 0.000 0.965 231 N HN 0.104 nan 8.380 nan 0.000 0.438 232 D N 0.907 121.307 120.400 -0.000 0.000 2.097 232 D HA -0.058 4.582 4.640 0.000 0.000 0.197 232 D C 2.060 178.362 176.300 0.003 0.000 0.984 232 D CA 0.658 54.669 54.000 0.018 0.000 0.826 232 D CB -0.232 40.570 40.800 0.003 0.000 0.973 232 D HN 0.357 nan 8.370 nan 0.000 0.460 233 I N 0.844 121.417 120.570 0.004 0.000 2.335 233 I HA -0.224 3.946 4.170 0.000 0.000 0.251 233 I C 2.465 178.583 176.117 0.001 0.000 1.129 233 I CA 0.958 62.267 61.300 0.014 0.000 1.402 233 I CB -0.061 37.973 38.000 0.057 0.000 1.069 233 I HN -0.078 nan 8.210 nan 0.000 0.424 234 R N -0.034 120.467 120.500 0.002 0.000 2.093 234 R HA -0.024 4.316 4.340 0.000 0.000 0.224 234 R C 2.357 178.632 176.300 -0.041 0.000 1.101 234 R CA 0.914 57.010 56.100 -0.006 0.000 0.979 234 R CB -0.365 29.938 30.300 0.005 0.000 0.877 234 R HN 0.230 nan 8.270 nan 0.000 0.441 235 V N 1.814 121.708 119.914 -0.033 0.000 2.287 235 V HA -0.269 3.851 4.120 0.000 0.000 0.248 235 V C 2.480 178.491 176.094 -0.139 0.000 1.053 235 V CA 2.131 64.403 62.300 -0.046 0.000 1.027 235 V CB -0.559 31.274 31.823 0.017 0.000 0.646 235 V HN 0.437 nan 8.190 nan 0.000 0.447 236 E N -0.001 120.090 120.200 -0.183 0.000 2.153 236 E HA -0.282 4.068 4.350 0.000 0.000 0.194 236 E C 2.234 178.382 176.600 -0.753 0.000 0.988 236 E CA 1.394 57.555 56.400 -0.397 0.000 0.811 236 E CB -0.155 29.369 29.700 -0.293 0.000 0.746 236 E HN 0.644 nan 8.360 nan 0.000 0.466 237 E N 0.685 120.644 120.200 -0.401 0.000 2.107 237 E HA -0.148 4.202 4.350 0.000 0.000 0.191 237 E C 2.128 178.639 176.600 -0.149 0.000 0.982 237 E CA 1.255 57.513 56.400 -0.237 0.000 0.809 237 E CB -0.080 29.638 29.700 0.030 0.000 0.756 237 E HN 0.316 nan 8.360 nan 0.000 0.459 238 S N 0.295 115.915 115.700 -0.134 0.000 2.402 238 S HA -0.096 4.374 4.470 0.000 0.000 0.229 238 S C 2.176 176.729 174.600 -0.078 0.000 1.021 238 S CA 0.829 58.988 58.200 -0.069 0.000 0.974 238 S CB -0.456 62.712 63.200 -0.054 0.000 0.800 238 S HN 0.290 nan 8.310 nan 0.000 0.484 239 I N 0.139 120.610 120.570 -0.165 0.000 2.202 239 I HA -0.135 4.035 4.170 0.000 0.000 0.242 239 I C 2.344 178.459 176.117 -0.003 0.000 1.091 239 I CA 1.324 62.555 61.300 -0.115 0.000 1.368 239 I CB -0.578 37.319 38.000 -0.171 0.000 1.058 239 I HN 0.247 nan 8.210 nan 0.000 0.410 240 Y N 1.393 121.687 120.300 -0.010 0.000 2.053 240 Y HA -0.301 4.249 4.550 0.000 0.000 0.277 240 Y C 2.792 178.693 175.900 0.001 0.000 1.159 240 Y CA 0.893 58.989 58.100 -0.005 0.000 1.125 240 Y CB -1.374 37.096 38.460 0.015 0.000 0.969 240 Y HN 0.228 nan 8.280 nan 0.000 0.492 241 Q N -0.890 119.017 119.800 0.178 0.000 2.268 241 Q HA -0.227 4.113 4.340 0.000 0.000 0.210 241 Q C 2.423 178.461 176.000 0.062 0.000 0.988 241 Q CA 1.566 57.430 55.803 0.101 0.000 0.883 241 Q CB -1.251 27.528 28.738 0.068 0.000 0.911 241 Q HN 0.539 nan 8.270 nan 0.000 0.430 242 C N 0.299 119.627 119.300 0.047 0.000 2.409 242 C HA -0.108 4.352 4.460 0.000 0.000 0.288 242 C C 1.600 176.606 174.990 0.027 0.000 1.395 242 C CA -0.612 58.420 59.018 0.025 0.000 1.792 242 C CB -1.087 26.658 27.740 0.008 0.000 1.847 242 C HN 0.426 nan 8.230 nan 0.000 0.534 243 C N 1.493 120.818 119.300 0.043 0.000 2.595 243 C HA 0.162 4.622 4.460 0.000 0.000 0.384 243 C C 0.617 175.623 174.990 0.028 0.000 1.289 243 C CA -0.447 58.590 59.018 0.031 0.000 2.372 243 C CB 0.086 27.847 27.740 0.036 0.000 2.593 243 C HN 0.498 nan 8.230 nan 0.000 0.639 244 D N 2.168 122.580 120.400 0.019 0.000 2.374 244 D HA 0.365 5.005 4.640 0.000 0.000 0.240 244 D C -0.601 175.714 176.300 0.025 0.000 1.229 244 D CA 0.376 54.388 54.000 0.019 0.000 0.895 244 D CB 0.035 40.842 40.800 0.012 0.000 1.046 244 D HN 0.397 nan 8.370 nan 0.000 0.498 245 L N 1.915 123.157 121.223 0.033 0.000 2.301 245 L HA 0.662 5.002 4.340 0.000 0.000 0.264 245 L C 0.489 177.386 176.870 0.046 0.000 1.016 245 L CA -1.377 53.489 54.840 0.043 0.000 0.821 245 L CB 1.739 43.830 42.059 0.054 0.000 1.346 245 L HN 0.308 nan 8.230 nan 0.000 0.429 246 A N 1.240 124.094 122.820 0.057 0.000 2.351 246 A HA 0.423 4.743 4.320 0.000 0.000 0.257 246 A C -1.900 175.725 177.584 0.069 0.000 1.087 246 A CA -1.050 51.023 52.037 0.061 0.000 0.798 246 A CB 0.084 19.128 19.000 0.073 0.000 1.033 246 A HN 0.604 nan 8.150 nan 0.000 0.488 247 P HA -0.184 nan 4.420 nan 0.000 0.216 247 P C 1.079 178.417 177.300 0.064 0.000 1.153 247 P CA 1.672 64.802 63.100 0.051 0.000 0.858 247 P CB 0.192 31.917 31.700 0.041 0.000 0.789 248 E N -0.996 119.268 120.200 0.106 0.000 2.204 248 E HA -0.127 4.223 4.350 0.000 0.000 0.194 248 E C 2.003 178.701 176.600 0.163 0.000 0.989 248 E CA 0.916 57.408 56.400 0.154 0.000 0.824 248 E CB -0.370 29.519 29.700 0.314 0.000 0.756 248 E HN 0.157 nan 8.360 nan 0.000 0.477 249 A N 1.328 124.255 122.820 0.178 0.000 1.873 249 A HA -0.168 4.152 4.320 0.000 0.000 0.215 249 A C 2.035 179.671 177.584 0.086 0.000 1.186 249 A CA 1.122 53.263 52.037 0.173 0.000 0.616 249 A CB -0.311 18.776 19.000 0.145 0.000 0.823 249 A HN 0.074 nan 8.150 nan 0.000 0.442 250 R N -1.061 119.478 120.500 0.065 0.000 2.091 250 R HA -0.189 4.151 4.340 0.000 0.000 0.238 250 R C 2.492 178.798 176.300 0.009 0.000 1.136 250 R CA 1.718 57.845 56.100 0.045 0.000 0.959 250 R CB -0.261 30.062 30.300 0.039 0.000 0.856 250 R HN 0.633 nan 8.270 nan 0.000 0.437 251 Q N 0.560 120.348 119.800 -0.021 0.000 2.079 251 Q HA -0.065 4.275 4.340 0.000 0.000 0.200 251 Q C 1.914 177.825 176.000 -0.149 0.000 0.974 251 Q CA 1.963 57.720 55.803 -0.077 0.000 0.840 251 Q CB -0.180 28.502 28.738 -0.092 0.000 0.898 251 Q HN 0.335 nan 8.270 nan 0.000 0.430 252 A N -0.049 122.642 122.820 -0.215 0.000 1.898 252 A HA -0.096 4.225 4.320 0.000 0.000 0.216 252 A C 2.118 179.613 177.584 -0.148 0.000 1.181 252 A CA 1.340 53.169 52.037 -0.347 0.000 0.620 252 A CB -0.659 17.986 19.000 -0.591 0.000 0.819 252 A HN 0.458 nan 8.150 nan 0.000 0.442 253 I N -0.373 120.183 120.570 -0.023 0.000 2.226 253 I HA -0.259 3.911 4.170 0.000 0.000 0.245 253 I C 2.531 178.693 176.117 0.075 0.000 1.100 253 I CA 1.784 63.132 61.300 0.080 0.000 1.374 253 I CB -0.166 37.915 38.000 0.135 0.000 1.057 253 I HN 0.369 nan 8.210 nan 0.000 0.413 254 K N 0.381 120.797 120.400 0.026 0.000 2.026 254 K HA -0.222 4.098 4.320 0.000 0.000 0.208 254 K C 2.370 178.954 176.600 -0.027 0.000 1.048 254 K CA 1.953 58.249 56.287 0.015 0.000 0.929 254 K CB -0.150 32.346 32.500 -0.007 0.000 0.713 254 K HN 0.155 nan 8.250 nan 0.000 0.439 255 S N 0.709 116.359 115.700 -0.082 0.000 2.355 255 S HA -0.060 4.410 4.470 0.000 0.000 0.222 255 S C 2.012 176.518 174.600 -0.158 0.000 1.031 255 S CA 0.920 59.048 58.200 -0.121 0.000 0.993 255 S CB -0.228 62.871 63.200 -0.169 0.000 0.859 255 S HN 0.356 nan 8.310 nan 0.000 0.453 256 L N 0.748 121.852 121.223 -0.198 0.000 2.131 256 L HA -0.105 4.235 4.340 0.000 0.000 0.210 256 L C 2.722 179.298 176.870 -0.491 0.000 1.092 256 L CA 1.462 56.073 54.840 -0.382 0.000 0.759 256 L CB -0.936 40.892 42.059 -0.385 0.000 0.903 256 L HN 0.362 nan 8.230 nan 0.000 0.435 257 T N -0.963 113.509 114.554 -0.135 0.000 2.668 257 T HA -0.140 4.210 4.350 0.000 0.000 0.262 257 T C 1.757 176.461 174.700 0.008 0.000 1.045 257 T CA 1.148 63.299 62.100 0.084 0.000 1.152 257 T CB -0.060 68.924 68.868 0.194 0.000 0.864 257 T HN 0.263 nan 8.240 nan 0.000 0.419 258 E N 0.974 121.161 120.200 -0.021 0.000 2.204 258 E HA 0.001 4.351 4.350 0.000 0.000 0.194 258 E C 2.344 178.920 176.600 -0.040 0.000 0.989 258 E CA 0.759 57.148 56.400 -0.018 0.000 0.824 258 E CB -0.094 29.593 29.700 -0.021 0.000 0.756 258 E HN 0.428 nan 8.360 nan 0.000 0.477 259 R N -0.560 119.884 120.500 -0.094 0.000 2.175 259 R HA 0.113 4.453 4.340 0.000 0.000 0.202 259 R C 1.951 178.175 176.300 -0.126 0.000 1.018 259 R CA 0.346 56.388 56.100 -0.097 0.000 1.029 259 R CB 0.120 30.351 30.300 -0.115 0.000 0.959 259 R HN 0.087 nan 8.270 nan 0.000 0.480 260 L N -1.447 119.644 121.223 -0.218 0.000 2.588 260 L HA 0.161 4.501 4.340 0.000 0.000 0.194 260 L C 1.527 178.351 176.870 -0.078 0.000 1.070 260 L CA 0.963 55.668 54.840 -0.225 0.000 0.852 260 L CB -0.381 41.437 42.059 -0.402 0.000 1.199 260 L HN -0.118 nan 8.230 nan 0.000 0.486 261 Y N -0.459 119.854 120.300 0.022 0.000 2.293 261 Y HA -0.072 4.478 4.550 0.000 0.000 0.291 261 Y C 2.473 178.377 175.900 0.006 0.000 1.137 261 Y CA 0.934 59.053 58.100 0.032 0.000 1.202 261 Y CB -0.826 37.676 38.460 0.070 0.000 0.990 261 Y HN 0.159 nan 8.280 nan 0.000 0.537 262 I N -0.959 119.696 120.570 0.141 0.000 2.546 262 I HA 0.101 4.271 4.170 0.000 0.000 0.255 262 I C 1.295 177.425 176.117 0.022 0.000 1.163 262 I CA 1.377 62.720 61.300 0.071 0.000 1.457 262 I CB -0.454 37.578 38.000 0.054 0.000 1.092 262 I HN 0.237 nan 8.210 nan 0.000 0.434 263 G N -1.844 106.947 108.800 -0.016 0.000 2.351 263 G HA2 0.490 4.450 3.960 0.000 0.000 0.279 263 G HA3 0.490 4.450 3.960 0.000 0.000 0.279 263 G C -0.568 174.159 174.900 -0.289 0.000 1.297 263 G CA -0.188 44.833 45.100 -0.132 0.000 0.886 263 G HN 0.670 nan 8.290 nan 0.000 0.493 264 G N -1.110 107.178 108.800 -0.854 0.000 2.356 264 G HA2 0.623 4.583 3.960 0.000 0.000 0.300 264 G HA3 0.623 4.583 3.960 0.000 0.000 0.300 264 G C -3.479 170.626 174.900 -1.326 0.000 1.331 264 G CA 0.236 44.756 45.100 -0.967 0.000 0.905 264 G HN 0.928 nan 8.290 nan 0.000 0.587 265 P HA 0.478 nan 4.420 nan 0.000 0.279 265 P C -0.521 176.665 177.300 -0.190 0.000 1.239 265 P CA -0.198 62.753 63.100 -0.248 0.000 0.789 265 P CB 1.268 32.961 31.700 -0.011 0.000 0.933 266 L N 2.856 124.007 121.223 -0.120 0.000 2.287 266 L HA 0.430 4.770 4.340 0.000 0.000 0.287 266 L C 0.551 177.407 176.870 -0.025 0.000 1.022 266 L CA -0.279 54.519 54.840 -0.070 0.000 0.814 266 L CB 1.407 43.445 42.059 -0.035 0.000 1.217 266 L HN 0.282 nan 8.230 nan 0.000 0.420 267 T N 1.358 115.883 114.554 -0.049 0.000 2.823 267 T HA 0.334 4.684 4.350 0.000 0.000 0.279 267 T C -0.108 174.575 174.700 -0.030 0.000 0.998 267 T CA -0.831 61.249 62.100 -0.034 0.000 0.994 267 T CB 1.466 70.299 68.868 -0.057 0.000 0.960 267 T HN 0.641 nan 8.240 nan 0.000 0.448 268 N N 0.570 119.272 118.700 0.004 0.000 2.379 268 N HA 0.139 4.879 4.740 0.000 0.000 0.260 268 N C 1.406 176.914 175.510 -0.003 0.000 1.254 268 N CA -0.354 52.705 53.050 0.015 0.000 0.958 268 N CB 0.253 38.762 38.487 0.037 0.000 1.208 268 N HN 0.448 nan 8.380 nan 0.000 0.532 269 S N -0.982 114.726 115.700 0.013 0.000 2.440 269 S HA -0.135 4.335 4.470 0.000 0.000 0.238 269 S C 0.688 175.288 174.600 -0.000 0.000 1.010 269 S CA 0.667 58.874 58.200 0.011 0.000 0.972 269 S CB -0.442 62.778 63.200 0.033 0.000 0.774 269 S HN 0.602 nan 8.310 nan 0.000 0.501 270 K N 1.247 121.649 120.400 0.003 0.000 2.708 270 K HA 0.283 4.603 4.320 0.000 0.000 0.219 270 K C 1.232 177.828 176.600 -0.008 0.000 1.068 270 K CA 0.394 56.681 56.287 -0.001 0.000 1.212 270 K CB -0.494 32.011 32.500 0.007 0.000 0.978 270 K HN 0.509 nan 8.250 nan 0.000 0.475 271 G N 1.620 110.408 108.800 -0.020 0.000 2.200 271 G HA2 -0.355 3.605 3.960 0.000 0.000 0.268 271 G HA3 -0.355 3.605 3.960 0.000 0.000 0.268 271 G C 0.190 175.083 174.900 -0.012 0.000 0.986 271 G CA 0.656 45.740 45.100 -0.028 0.000 0.677 271 G HN 0.509 nan 8.290 nan 0.000 0.532 272 Q N -0.129 119.671 119.800 0.001 0.000 2.260 272 Q HA 0.302 4.642 4.340 0.000 0.000 0.242 272 Q C 0.314 176.328 176.000 0.025 0.000 0.932 272 Q CA -0.653 55.160 55.803 0.015 0.000 0.891 272 Q CB 0.383 29.135 28.738 0.024 0.000 1.222 272 Q HN 0.396 nan 8.270 nan 0.000 0.453 273 N N 1.864 120.585 118.700 0.034 0.000 2.422 273 N HA 0.082 4.822 4.740 0.000 0.000 0.264 273 N C -0.297 175.261 175.510 0.080 0.000 1.063 273 N CA -0.405 52.673 53.050 0.046 0.000 0.959 273 N CB 0.618 39.131 38.487 0.044 0.000 1.087 273 N HN 0.618 nan 8.380 nan 0.000 0.483 274 C N 2.532 121.894 119.300 0.103 0.000 2.791 274 C HA 0.428 4.888 4.460 0.000 0.000 0.288 274 C C 1.177 176.290 174.990 0.205 0.000 1.271 274 C CA 0.209 59.347 59.018 0.201 0.000 1.726 274 C CB -0.766 27.137 27.740 0.271 0.000 2.145 274 C HN 0.936 nan 8.230 nan 0.000 0.572 275 G N -1.152 107.683 108.800 0.058 0.000 2.356 275 G HA2 0.277 4.237 3.960 0.000 0.000 0.266 275 G HA3 0.277 4.237 3.960 0.000 0.000 0.266 275 G C -2.129 172.745 174.900 -0.044 0.000 1.312 275 G CA -0.476 44.599 45.100 -0.041 0.000 0.922 275 G HN 0.027 nan 8.290 nan 0.000 0.480 276 Y N 0.690 120.840 120.300 -0.251 0.000 2.462 276 Y HA 0.780 5.330 4.550 0.000 0.000 0.346 276 Y C 0.197 175.951 175.900 -0.244 0.000 0.976 276 Y CA -0.908 57.076 58.100 -0.193 0.000 1.044 276 Y CB 1.997 40.365 38.460 -0.153 0.000 1.230 276 Y HN 0.676 nan 8.280 nan 0.000 0.455 277 R N 4.549 124.774 120.500 -0.458 0.000 2.393 277 R HA 0.489 4.829 4.340 0.000 0.000 0.310 277 R C -0.492 175.624 176.300 -0.307 0.000 0.968 277 R CA -0.486 55.365 56.100 -0.416 0.000 0.867 277 R CB 0.871 30.988 30.300 -0.303 0.000 1.124 277 R HN 0.924 nan 8.270 nan 0.000 0.450 278 R N 2.764 123.062 120.500 -0.337 0.000 2.596 278 R HA 0.190 4.530 4.340 0.000 0.000 0.369 278 R C -0.301 175.863 176.300 -0.227 0.000 1.042 278 R CA -0.231 55.766 56.100 -0.173 0.000 1.120 278 R CB 0.423 30.657 30.300 -0.111 0.000 1.353 278 R HN 0.768 nan 8.270 nan 0.000 0.564 279 C N -1.750 117.362 119.300 -0.313 0.000 3.327 279 C HA 0.604 5.064 4.460 0.000 0.000 0.366 279 C C 0.105 175.033 174.990 -0.104 0.000 2.438 279 C CA -1.407 57.479 59.018 -0.220 0.000 1.438 279 C CB 0.853 28.416 27.740 -0.294 0.000 2.876 279 C HN 0.324 nan 8.230 nan 0.000 0.483 280 R N 1.004 121.487 120.500 -0.028 0.000 2.543 280 R HA 0.538 4.878 4.340 0.000 0.000 0.277 280 R C -0.222 176.138 176.300 0.100 0.000 1.074 280 R CA 0.661 56.795 56.100 0.057 0.000 1.076 280 R CB 0.309 30.671 30.300 0.103 0.000 0.993 280 R HN 1.084 nan 8.270 nan 0.000 0.459 281 A N 2.687 125.585 122.820 0.130 0.000 2.305 281 A HA 0.283 4.603 4.320 0.000 0.000 0.322 281 A C 0.719 178.408 177.584 0.176 0.000 1.187 281 A CA -0.378 51.758 52.037 0.165 0.000 0.825 281 A CB 1.207 20.310 19.000 0.171 0.000 1.164 281 A HN 0.984 nan 8.150 nan 0.000 0.498 282 S N 1.791 117.607 115.700 0.193 0.000 2.489 282 S HA 0.046 4.516 4.470 0.000 0.000 0.228 282 S C 1.155 175.851 174.600 0.161 0.000 0.995 282 S CA 0.808 59.113 58.200 0.174 0.000 0.934 282 S CB 0.039 63.346 63.200 0.178 0.000 0.771 282 S HN 1.207 nan 8.310 nan 0.000 0.522 283 G N 1.981 110.900 108.800 0.200 0.000 3.959 283 G HA2 0.504 4.464 3.960 0.000 0.000 0.298 283 G HA3 0.504 4.464 3.960 0.000 0.000 0.298 283 G C 0.025 175.058 174.900 0.222 0.000 1.211 283 G CA -0.052 45.174 45.100 0.209 0.000 1.001 283 G HN 0.535 nan 8.290 nan 0.000 0.561 284 V N -2.775 117.257 119.914 0.196 0.000 3.113 284 V HA 0.582 4.702 4.120 0.000 0.000 0.316 284 V C 1.242 177.432 176.094 0.161 0.000 1.125 284 V CA -1.008 61.429 62.300 0.229 0.000 1.026 284 V CB 1.725 33.759 31.823 0.352 0.000 1.080 284 V HN 0.028 nan 8.190 nan 0.000 0.444 285 L N 1.822 123.154 121.223 0.181 0.000 2.456 285 L HA 0.067 4.407 4.340 0.000 0.000 0.224 285 L C 1.856 178.762 176.870 0.059 0.000 1.148 285 L CA 2.576 57.503 54.840 0.145 0.000 0.825 285 L CB -0.556 41.614 42.059 0.185 0.000 0.937 285 L HN 1.095 nan 8.230 nan 0.000 0.450 286 T N -6.723 107.798 114.554 -0.056 0.000 3.085 286 T HA 0.027 4.377 4.350 0.000 0.000 0.264 286 T C 1.589 176.244 174.700 -0.074 0.000 1.019 286 T CA 0.529 62.545 62.100 -0.140 0.000 0.910 286 T CB -0.330 68.308 68.868 -0.384 0.000 1.059 286 T HN 0.242 nan 8.240 nan 0.000 0.542 287 T N 1.640 116.185 114.554 -0.016 0.000 2.652 287 T HA -0.192 4.158 4.350 0.000 0.000 0.267 287 T C 2.152 176.882 174.700 0.050 0.000 1.039 287 T CA 2.311 64.434 62.100 0.040 0.000 1.153 287 T CB -0.857 68.060 68.868 0.082 0.000 0.863 287 T HN 0.483 nan 8.240 nan 0.000 0.428 288 S N -0.631 115.071 115.700 0.003 0.000 2.348 288 S HA -0.150 4.320 4.470 0.000 0.000 0.221 288 S C 2.535 177.151 174.600 0.026 0.000 1.033 288 S CA 1.789 59.971 58.200 -0.031 0.000 1.010 288 S CB -1.294 61.776 63.200 -0.216 0.000 0.891 288 S HN 0.763 nan 8.310 nan 0.000 0.442 289 C N 1.316 120.616 119.300 -0.000 0.000 2.413 289 C HA 0.045 4.505 4.460 0.000 0.000 0.276 289 C C 2.869 177.927 174.990 0.113 0.000 1.236 289 C CA 1.208 60.257 59.018 0.052 0.000 1.735 289 C CB -1.893 25.849 27.740 0.003 0.000 2.031 289 C HN 0.746 nan 8.230 nan 0.000 0.474 290 G N 0.426 109.292 108.800 0.110 0.000 2.446 290 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 290 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 290 G C 1.503 176.510 174.900 0.179 0.000 1.168 290 G CA 1.163 46.338 45.100 0.124 0.000 0.771 290 G HN 0.609 nan 8.290 nan 0.000 0.551 291 N N 0.354 119.180 118.700 0.210 0.000 2.188 291 N HA -0.068 4.672 4.740 0.000 0.000 0.184 291 N C 2.387 178.023 175.510 0.211 0.000 1.018 291 N CA 1.545 54.791 53.050 0.326 0.000 0.858 291 N CB -0.704 37.910 38.487 0.212 0.000 0.989 291 N HN 0.251 nan 8.380 nan 0.000 0.426 292 T N 1.627 116.276 114.554 0.160 0.000 2.746 292 T HA 0.009 4.359 4.350 0.000 0.000 0.267 292 T C 2.147 176.965 174.700 0.198 0.000 1.039 292 T CA 0.681 62.883 62.100 0.170 0.000 1.142 292 T CB -0.212 68.804 68.868 0.247 0.000 0.866 292 T HN 0.118 nan 8.240 nan 0.000 0.444 293 L N 0.651 121.971 121.223 0.162 0.000 2.027 293 L HA -0.093 4.247 4.340 0.000 0.000 0.206 293 L C 2.981 179.971 176.870 0.201 0.000 1.074 293 L CA 1.214 56.133 54.840 0.132 0.000 0.745 293 L CB -1.083 41.007 42.059 0.052 0.000 0.898 293 L HN 0.250 nan 8.230 nan 0.000 0.433 294 T N -1.195 113.488 114.554 0.215 0.000 2.708 294 T HA -0.263 4.087 4.350 0.000 0.000 0.266 294 T C 2.041 176.943 174.700 0.337 0.000 1.037 294 T CA 1.574 63.821 62.100 0.245 0.000 1.146 294 T CB -0.575 68.445 68.868 0.254 0.000 0.865 294 T HN 0.456 nan 8.240 nan 0.000 0.435 295 C N 0.609 120.183 119.300 0.456 0.000 2.432 295 C HA -0.112 4.348 4.460 0.000 0.000 0.277 295 C C 2.409 177.567 174.990 0.280 0.000 1.249 295 C CA 0.685 59.953 59.018 0.416 0.000 1.725 295 C CB -1.436 26.425 27.740 0.202 0.000 2.028 295 C HN 0.646 nan 8.230 nan 0.000 0.477 296 Y N 1.197 121.574 120.300 0.129 0.000 2.128 296 Y HA -0.164 4.386 4.550 0.000 0.000 0.284 296 Y C 2.189 178.127 175.900 0.064 0.000 1.154 296 Y CA 2.253 60.405 58.100 0.087 0.000 1.149 296 Y CB -0.619 37.882 38.460 0.068 0.000 0.976 296 Y HN 0.369 nan 8.280 nan 0.000 0.505 297 L N 1.005 122.339 121.223 0.185 0.000 1.994 297 L HA -0.169 4.171 4.340 0.000 0.000 0.208 297 L C 2.127 178.961 176.870 -0.060 0.000 1.071 297 L CA 2.045 56.879 54.840 -0.010 0.000 0.745 297 L CB -0.896 41.133 42.059 -0.049 0.000 0.892 297 L HN 0.137 nan 8.230 nan 0.000 0.431 298 K N -0.214 120.228 120.400 0.069 0.000 2.057 298 K HA -0.089 4.231 4.320 0.000 0.000 0.207 298 K C 2.108 178.783 176.600 0.124 0.000 1.049 298 K CA 1.407 57.779 56.287 0.142 0.000 0.931 298 K CB -0.474 32.175 32.500 0.248 0.000 0.714 298 K HN 0.517 nan 8.250 nan 0.000 0.440 299 A N 1.113 123.970 122.820 0.062 0.000 1.930 299 A HA -0.137 4.183 4.320 0.000 0.000 0.217 299 A C 2.202 179.836 177.584 0.084 0.000 1.175 299 A CA 1.758 53.842 52.037 0.078 0.000 0.627 299 A CB -0.464 18.630 19.000 0.156 0.000 0.815 299 A HN 0.178 nan 8.150 nan 0.000 0.443 300 S N 0.105 115.741 115.700 -0.107 0.000 2.356 300 S HA -0.043 4.427 4.470 0.000 0.000 0.223 300 S C 2.312 176.885 174.600 -0.044 0.000 1.032 300 S CA 1.200 59.302 58.200 -0.164 0.000 1.005 300 S CB -0.490 62.458 63.200 -0.419 0.000 0.867 300 S HN 0.796 nan 8.310 nan 0.000 0.449 301 A N 1.601 124.416 122.820 -0.007 0.000 1.933 301 A HA 0.158 4.478 4.320 0.000 0.000 0.218 301 A C 2.336 180.000 177.584 0.134 0.000 1.175 301 A CA 1.590 53.675 52.037 0.081 0.000 0.628 301 A CB -1.031 18.033 19.000 0.107 0.000 0.814 301 A HN 0.516 nan 8.150 nan 0.000 0.444 302 A N -1.266 121.648 122.820 0.157 0.000 2.070 302 A HA -0.130 4.190 4.320 0.000 0.000 0.220 302 A C 2.179 179.837 177.584 0.124 0.000 1.159 302 A CA 1.600 53.599 52.037 -0.064 0.000 0.656 302 A CB -1.061 17.511 19.000 -0.713 0.000 0.800 302 A HN 0.597 nan 8.150 nan 0.000 0.453 303 C N -1.197 118.247 119.300 0.239 0.000 2.475 303 C HA 0.028 4.489 4.460 0.000 0.000 0.279 303 C C 2.765 177.772 174.990 0.028 0.000 1.322 303 C CA 0.686 59.852 59.018 0.246 0.000 1.734 303 C CB -1.120 26.721 27.740 0.168 0.000 2.005 303 C HN 0.606 nan 8.230 nan 0.000 0.495 304 R N 1.250 121.669 120.500 -0.135 0.000 2.115 304 R HA -0.030 4.310 4.340 0.000 0.000 0.230 304 R C 1.983 177.954 176.300 -0.549 0.000 1.111 304 R CA 1.326 57.194 56.100 -0.386 0.000 0.976 304 R CB -0.355 29.592 30.300 -0.589 0.000 0.870 304 R HN 0.472 nan 8.270 nan 0.000 0.445 305 A N 0.112 122.696 122.820 -0.392 0.000 2.258 305 A HA 0.290 4.610 4.320 0.000 0.000 0.206 305 A C 1.019 178.610 177.584 0.013 0.000 1.222 305 A CA 1.053 53.048 52.037 -0.070 0.000 0.822 305 A CB -0.145 18.909 19.000 0.089 0.000 0.804 305 A HN 0.395 nan 8.150 nan 0.000 0.483 306 A N -0.897 121.922 122.820 -0.002 0.000 1.708 306 A HA 0.531 4.851 4.320 0.000 0.000 0.168 306 A C -0.295 177.306 177.584 0.027 0.000 1.463 306 A CA -0.331 51.731 52.037 0.042 0.000 2.387 306 A CB -0.119 18.938 19.000 0.095 0.000 2.618 306 A HN 0.086 nan 8.150 nan 0.000 1.169 307 K N 0.931 121.354 120.400 0.039 0.000 2.547 307 K HA 0.075 4.395 4.320 0.000 0.000 0.275 307 K C 0.018 176.624 176.600 0.010 0.000 1.001 307 K CA 0.831 57.133 56.287 0.024 0.000 1.111 307 K CB -0.270 32.250 32.500 0.033 0.000 0.832 307 K HN 0.579 nan 8.250 nan 0.000 0.485 308 L N 0.919 122.147 121.223 0.008 0.000 3.110 308 L HA 0.243 4.583 4.340 0.000 0.000 0.266 308 L C 0.357 177.227 176.870 -0.000 0.000 1.257 308 L CA -0.168 54.676 54.840 0.006 0.000 1.038 308 L CB -0.478 41.586 42.059 0.009 0.000 1.395 308 L HN 0.529 nan 8.230 nan 0.000 0.566 309 Q N -0.507 119.291 119.800 -0.003 0.000 2.934 309 Q HA 0.485 4.825 4.340 0.000 0.000 0.219 309 Q C -1.192 174.798 176.000 -0.016 0.000 1.024 309 Q CA -0.748 55.047 55.803 -0.013 0.000 0.928 309 Q CB 0.498 29.225 28.738 -0.019 0.000 1.594 309 Q HN 0.257 nan 8.270 nan 0.000 0.485 310 D N 0.677 121.059 120.400 -0.030 0.000 2.479 310 D HA 0.336 4.976 4.640 0.000 0.000 0.247 310 D C -0.820 175.457 176.300 -0.038 0.000 1.119 310 D CA -0.331 53.651 54.000 -0.030 0.000 0.922 310 D CB 0.524 41.301 40.800 -0.039 0.000 1.014 310 D HN 0.380 nan 8.370 nan 0.000 0.510 311 C N 1.498 120.784 119.300 -0.023 0.000 2.604 311 C HA 0.614 5.074 4.460 0.000 0.000 0.396 311 C C 0.702 175.682 174.990 -0.017 0.000 1.282 311 C CA -0.369 58.631 59.018 -0.031 0.000 2.292 311 C CB 0.436 28.163 27.740 -0.022 0.000 2.633 311 C HN 0.516 nan 8.230 nan 0.000 0.620 312 T N 3.540 118.078 114.554 -0.026 0.000 3.031 312 T HA 0.489 4.839 4.350 0.000 0.000 0.305 312 T C -0.546 174.169 174.700 0.026 0.000 0.985 312 T CA -0.296 61.821 62.100 0.029 0.000 1.008 312 T CB 0.776 69.633 68.868 -0.018 0.000 1.005 312 T HN 0.710 nan 8.240 nan 0.000 0.444 313 M N 2.478 122.127 119.600 0.082 0.000 2.598 313 M HA 0.849 5.329 4.480 0.000 0.000 0.317 313 M C -1.437 174.957 176.300 0.156 0.000 1.179 313 M CA -1.359 53.972 55.300 0.051 0.000 0.936 313 M CB 1.760 34.359 32.600 -0.002 0.000 1.713 313 M HN 0.343 nan 8.290 nan 0.000 0.460 314 L N 2.758 124.040 121.223 0.098 0.000 2.341 314 L HA 0.814 5.154 4.340 0.000 0.000 0.278 314 L C -1.433 175.443 176.870 0.009 0.000 1.005 314 L CA -0.504 54.391 54.840 0.091 0.000 0.818 314 L CB 2.044 44.155 42.059 0.087 0.000 1.259 314 L HN 0.701 nan 8.230 nan 0.000 0.418 315 V N 4.341 124.241 119.914 -0.023 0.000 2.789 315 V HA 0.606 4.726 4.120 0.000 0.000 0.311 315 V C -0.634 175.307 176.094 -0.255 0.000 1.073 315 V CA -0.795 61.473 62.300 -0.055 0.000 0.921 315 V CB 2.131 34.019 31.823 0.109 0.000 1.009 315 V HN 0.776 nan 8.190 nan 0.000 0.426 316 N N 2.973 121.505 118.700 -0.279 0.000 2.640 316 N HA 0.441 5.181 4.740 0.000 0.000 0.262 316 N C 0.530 175.985 175.510 -0.092 0.000 1.174 316 N CA 0.528 53.277 53.050 -0.502 0.000 0.791 316 N CB 2.115 40.171 38.487 -0.718 0.000 1.279 316 N HN 1.105 nan 8.380 nan 0.000 0.535 317 G N 3.150 112.011 108.800 0.102 0.000 2.629 317 G HA2 -0.377 3.583 3.960 0.000 0.000 0.313 317 G HA3 -0.377 3.583 3.960 0.000 0.000 0.313 317 G C 0.405 175.156 174.900 -0.248 0.000 1.217 317 G CA 0.950 46.060 45.100 0.017 0.000 0.994 317 G HN 0.642 nan 8.290 nan 0.000 0.549 318 D N 1.254 121.385 120.400 -0.450 0.000 2.325 318 D HA 0.134 4.774 4.640 0.000 0.000 0.225 318 D C 0.202 176.333 176.300 -0.281 0.000 1.096 318 D CA 0.568 54.083 54.000 -0.809 0.000 0.844 318 D CB -0.063 40.072 40.800 -1.109 0.000 0.925 318 D HN 0.407 nan 8.370 nan 0.000 0.513 319 D N 0.876 121.185 120.400 -0.151 0.000 2.347 319 D HA 0.240 4.880 4.640 0.000 0.000 0.235 319 D C -0.988 175.286 176.300 -0.042 0.000 1.149 319 D CA -0.569 53.393 54.000 -0.064 0.000 0.850 319 D CB 1.136 41.897 40.800 -0.066 0.000 1.061 319 D HN 0.067 nan 8.370 nan 0.000 0.487 320 L N 4.914 126.155 121.223 0.030 0.000 2.346 320 L HA 0.594 4.934 4.340 0.000 0.000 0.276 320 L C -1.545 175.315 176.870 -0.017 0.000 1.006 320 L CA -0.646 54.217 54.840 0.039 0.000 0.817 320 L CB 1.861 44.007 42.059 0.146 0.000 1.272 320 L HN 0.135 nan 8.230 nan 0.000 0.421 321 V N 5.921 125.776 119.914 -0.098 0.000 2.777 321 V HA 0.768 4.888 4.120 0.000 0.000 0.306 321 V C -1.818 174.105 176.094 -0.284 0.000 1.112 321 V CA -0.262 61.921 62.300 -0.195 0.000 0.917 321 V CB 2.277 34.029 31.823 -0.117 0.000 1.018 321 V HN 0.846 nan 8.190 nan 0.000 0.426 322 V N 7.747 127.325 119.914 -0.561 0.000 2.686 322 V HA 0.695 4.815 4.120 0.000 0.000 0.306 322 V C -1.105 174.751 176.094 -0.396 0.000 1.065 322 V CA -0.400 61.589 62.300 -0.519 0.000 0.894 322 V CB 1.900 33.294 31.823 -0.714 0.000 1.004 322 V HN 0.813 nan 8.190 nan 0.000 0.424 323 I N 7.546 128.012 120.570 -0.174 0.000 2.362 323 I HA 0.625 4.795 4.170 0.000 0.000 0.289 323 I C 0.321 176.368 176.117 -0.117 0.000 0.994 323 I CA -0.379 60.870 61.300 -0.084 0.000 1.158 323 I CB 1.318 39.315 38.000 -0.004 0.000 1.315 323 I HN 0.987 nan 8.210 nan 0.000 0.451 324 C N 2.957 122.191 119.300 -0.110 0.000 3.157 324 C HA 0.616 5.076 4.460 0.000 0.000 0.368 324 C C -0.288 174.620 174.990 -0.136 0.000 1.623 324 C CA -0.869 58.093 59.018 -0.094 0.000 1.530 324 C CB 1.645 29.372 27.740 -0.021 0.000 2.152 324 C HN 0.578 nan 8.230 nan 0.000 0.456 325 E N 1.609 121.753 120.200 -0.093 0.000 2.227 325 E HA 0.367 4.717 4.350 0.000 0.000 0.282 325 E C -0.226 176.344 176.600 -0.050 0.000 1.015 325 E CA 0.403 56.746 56.400 -0.095 0.000 0.823 325 E CB 1.832 31.488 29.700 -0.072 0.000 1.081 325 E HN 0.705 nan 8.360 nan 0.000 0.396 326 S N 1.487 117.163 115.700 -0.038 0.000 2.592 326 S HA 0.373 4.843 4.470 0.000 0.000 0.271 326 S C 0.517 175.122 174.600 0.009 0.000 1.326 326 S CA 0.241 58.458 58.200 0.029 0.000 1.024 326 S CB 0.802 64.061 63.200 0.098 0.000 0.921 326 S HN 0.544 nan 8.310 nan 0.000 0.527 327 A N 2.604 125.438 122.820 0.023 0.000 2.508 327 A HA 0.675 4.995 4.320 0.000 0.000 0.250 327 A C 0.761 178.347 177.584 0.003 0.000 1.208 327 A CA 0.369 52.410 52.037 0.006 0.000 0.960 327 A CB -0.209 18.795 19.000 0.007 0.000 1.099 327 A HN 1.700 nan 8.150 nan 0.000 0.542 328 G N -1.976 106.832 108.800 0.012 0.000 2.326 328 G HA2 0.239 4.199 3.960 0.000 0.000 0.478 328 G HA3 0.239 4.199 3.960 0.000 0.000 0.478 328 G C 0.233 175.140 174.900 0.012 0.000 1.551 328 G CA -0.033 45.060 45.100 -0.010 0.000 0.946 328 G HN 0.144 nan 8.290 nan 0.000 0.671 329 T N 0.292 114.827 114.554 -0.032 0.000 2.516 329 T HA -0.275 4.075 4.350 0.000 0.000 0.261 329 T C 2.323 177.049 174.700 0.043 0.000 1.130 329 T CA 2.516 64.617 62.100 0.002 0.000 1.193 329 T CB -0.414 68.420 68.868 -0.057 0.000 0.864 329 T HN 0.663 nan 8.240 nan 0.000 0.410 330 Q N 0.198 120.006 119.800 0.014 0.000 2.170 330 Q HA -0.138 4.202 4.340 0.000 0.000 0.203 330 Q C 2.262 178.270 176.000 0.014 0.000 0.976 330 Q CA 1.231 57.042 55.803 0.014 0.000 0.858 330 Q CB 0.055 28.795 28.738 0.003 0.000 0.907 330 Q HN 0.569 nan 8.270 nan 0.000 0.433 331 E N 0.079 120.287 120.200 0.014 0.000 2.158 331 E HA -0.152 4.199 4.350 0.000 0.000 0.191 331 E C 1.246 177.855 176.600 0.013 0.000 0.982 331 E CA 0.839 57.245 56.400 0.011 0.000 0.823 331 E CB -0.227 29.478 29.700 0.008 0.000 0.766 331 E HN 0.393 nan 8.360 nan 0.000 0.468 332 D N 1.737 122.158 120.400 0.035 0.000 2.097 332 D HA -0.082 4.558 4.640 0.000 0.000 0.195 332 D C 1.988 178.280 176.300 -0.015 0.000 0.989 332 D CA 1.954 55.975 54.000 0.035 0.000 0.827 332 D CB -0.331 40.553 40.800 0.140 0.000 0.966 332 D HN 0.219 nan 8.370 nan 0.000 0.456 333 A N 0.927 123.753 122.820 0.009 0.000 1.917 333 A HA -0.146 4.174 4.320 0.000 0.000 0.219 333 A C 2.311 179.877 177.584 -0.030 0.000 1.182 333 A CA 2.635 54.662 52.037 -0.017 0.000 0.633 333 A CB -0.845 18.159 19.000 0.008 0.000 0.819 333 A HN 0.257 nan 8.150 nan 0.000 0.448 334 A N -0.946 121.865 122.820 -0.014 0.000 1.902 334 A HA -0.058 4.262 4.320 0.000 0.000 0.217 334 A C 2.448 180.024 177.584 -0.014 0.000 1.181 334 A CA 2.019 54.050 52.037 -0.010 0.000 0.623 334 A CB -0.902 18.097 19.000 -0.001 0.000 0.818 334 A HN 0.447 nan 8.150 nan 0.000 0.443 335 S N -0.456 115.230 115.700 -0.024 0.000 2.359 335 S HA -0.147 4.323 4.470 0.000 0.000 0.224 335 S C 1.742 176.319 174.600 -0.040 0.000 1.035 335 S CA 1.625 59.811 58.200 -0.023 0.000 1.018 335 S CB -0.370 62.808 63.200 -0.036 0.000 0.876 335 S HN 0.388 nan 8.310 nan 0.000 0.448 336 L N 1.313 122.455 121.223 -0.136 0.000 2.201 336 L HA 0.053 4.393 4.340 0.000 0.000 0.212 336 L C 2.382 179.253 176.870 0.001 0.000 1.105 336 L CA 1.355 56.081 54.840 -0.190 0.000 0.775 336 L CB -0.464 41.367 42.059 -0.380 0.000 0.913 336 L HN 0.167 nan 8.230 nan 0.000 0.440 337 R N -1.319 119.180 120.500 -0.002 0.000 2.075 337 R HA -0.087 4.253 4.340 0.000 0.000 0.232 337 R C 2.172 178.496 176.300 0.040 0.000 1.126 337 R CA 1.252 57.365 56.100 0.022 0.000 0.963 337 R CB -0.371 29.932 30.300 0.004 0.000 0.858 337 R HN 0.210 nan 8.270 nan 0.000 0.435 338 V N 0.825 120.763 119.914 0.040 0.000 2.261 338 V HA -0.269 3.851 4.120 0.000 0.000 0.246 338 V C 1.997 178.115 176.094 0.041 0.000 1.047 338 V CA 1.882 64.201 62.300 0.033 0.000 1.015 338 V CB -0.640 31.207 31.823 0.040 0.000 0.642 338 V HN 0.224 nan 8.190 nan 0.000 0.446 339 F N 1.423 121.342 119.950 -0.052 0.000 2.115 339 F HA -0.286 4.242 4.527 0.000 0.000 0.300 339 F C 2.344 178.121 175.800 -0.039 0.000 1.092 339 F CA 2.425 60.399 58.000 -0.043 0.000 1.245 339 F CB -0.507 38.473 39.000 -0.032 0.000 0.995 339 F HN 0.144 nan 8.300 nan 0.000 0.481 340 T N -0.530 114.106 114.554 0.136 0.000 2.896 340 T HA -0.123 4.227 4.350 0.000 0.000 0.263 340 T C 1.718 176.395 174.700 -0.037 0.000 1.050 340 T CA 1.367 63.552 62.100 0.142 0.000 1.140 340 T CB -0.222 68.805 68.868 0.265 0.000 0.877 340 T HN 0.363 nan 8.240 nan 0.000 0.457 341 E N 0.937 121.098 120.200 -0.065 0.000 2.106 341 E HA -0.043 4.307 4.350 0.000 0.000 0.192 341 E C 2.470 178.931 176.600 -0.232 0.000 0.984 341 E CA 0.936 57.273 56.400 -0.105 0.000 0.806 341 E CB -0.134 29.524 29.700 -0.070 0.000 0.750 341 E HN 0.462 nan 8.360 nan 0.000 0.458 342 A N 1.045 123.665 122.820 -0.334 0.000 1.855 342 A HA -0.176 4.144 4.320 0.000 0.000 0.215 342 A C 2.133 179.163 177.584 -0.924 0.000 1.191 342 A CA 1.136 52.800 52.037 -0.620 0.000 0.613 342 A CB -0.327 18.365 19.000 -0.512 0.000 0.829 342 A HN 0.116 nan 8.150 nan 0.000 0.442 343 M N -0.143 119.032 119.600 -0.710 0.000 2.082 343 M HA -0.149 4.331 4.480 0.000 0.000 0.258 343 M C 2.206 178.333 176.300 -0.289 0.000 1.069 343 M CA 2.215 57.195 55.300 -0.533 0.000 1.102 343 M CB -2.022 30.195 32.600 -0.637 0.000 1.336 343 M HN 0.448 nan 8.290 nan 0.000 0.404 344 T N -0.352 114.084 114.554 -0.197 0.000 2.759 344 T HA -0.148 4.202 4.350 0.000 0.000 0.269 344 T C 1.990 176.614 174.700 -0.125 0.000 1.042 344 T CA 1.258 63.304 62.100 -0.090 0.000 1.140 344 T CB -0.200 68.638 68.868 -0.050 0.000 0.864 344 T HN 0.334 nan 8.240 nan 0.000 0.455 345 R N -0.210 120.138 120.500 -0.254 0.000 2.115 345 R HA 0.015 4.356 4.340 0.000 0.000 0.230 345 R C 1.581 177.842 176.300 -0.065 0.000 1.111 345 R CA 1.132 57.114 56.100 -0.196 0.000 0.976 345 R CB -0.184 29.951 30.300 -0.275 0.000 0.870 345 R HN 0.576 nan 8.270 nan 0.000 0.445 346 Y N -0.661 119.578 120.300 -0.102 0.000 2.502 346 Y HA 0.063 4.613 4.550 0.000 0.000 0.295 346 Y C 0.717 176.559 175.900 -0.096 0.000 1.193 346 Y CA -0.282 57.739 58.100 -0.133 0.000 1.295 346 Y CB 0.439 38.834 38.460 -0.108 0.000 1.059 346 Y HN -0.015 nan 8.280 nan 0.000 0.514 347 S N 0.757 116.493 115.700 0.058 0.000 3.978 347 S HA -0.151 4.320 4.470 0.000 0.000 0.402 347 S C -0.240 174.384 174.600 0.039 0.000 0.927 347 S CA 0.302 58.529 58.200 0.046 0.000 1.197 347 S CB -1.336 61.883 63.200 0.032 0.000 0.855 347 S HN 0.637 nan 8.310 nan 0.000 0.524 348 A N 2.206 125.058 122.820 0.053 0.000 3.474 348 A HA 0.561 4.881 4.320 0.000 0.000 0.251 348 A C -2.310 175.384 177.584 0.184 0.000 1.062 348 A CA -0.598 51.498 52.037 0.099 0.000 0.945 348 A CB 0.889 19.955 19.000 0.109 0.000 1.296 348 A HN 0.459 nan 8.150 nan 0.000 0.592 349 P HA 0.220 nan 4.420 nan 0.000 0.269 349 P C -2.865 174.536 177.300 0.168 0.000 1.209 349 P CA -0.726 62.446 63.100 0.120 0.000 0.776 349 P CB 0.550 32.254 31.700 0.006 0.000 0.876 350 P HA 0.100 nan 4.420 nan 0.000 0.282 350 P C 0.632 177.882 177.300 -0.084 0.000 1.249 350 P CA 0.034 63.069 63.100 -0.108 0.000 0.806 350 P CB 1.118 32.697 31.700 -0.201 0.000 0.984 351 G N 2.591 111.330 108.800 -0.102 0.000 2.610 351 G HA2 0.020 3.980 3.960 0.000 0.000 0.215 351 G HA3 0.020 3.980 3.960 0.000 0.000 0.215 351 G C 0.044 174.895 174.900 -0.081 0.000 1.243 351 G CA 0.176 45.238 45.100 -0.064 0.000 0.847 351 G HN 0.483 nan 8.290 nan 0.000 0.560 352 D N 1.252 121.593 120.400 -0.099 0.000 2.193 352 D HA 0.382 5.022 4.640 0.000 0.000 0.249 352 D C -2.604 173.619 176.300 -0.127 0.000 1.034 352 D CA -1.111 52.836 54.000 -0.088 0.000 0.902 352 D CB 1.794 42.553 40.800 -0.069 0.000 1.182 352 D HN -0.009 nan 8.370 nan 0.000 0.436 353 P HA 0.179 nan 4.420 nan 0.000 0.276 353 P C -2.335 174.917 177.300 -0.079 0.000 1.230 353 P CA -1.073 61.977 63.100 -0.085 0.000 0.776 353 P CB -0.021 31.651 31.700 -0.046 0.000 0.888 354 P HA 0.082 nan 4.420 nan 0.000 0.271 354 P C -0.703 176.569 177.300 -0.047 0.000 1.226 354 P CA 0.148 63.238 63.100 -0.015 0.000 0.765 354 P CB 0.766 32.524 31.700 0.096 0.000 0.835 355 Q N 4.499 124.290 119.800 -0.016 0.000 2.290 355 Q HA 0.348 4.688 4.340 0.000 0.000 0.259 355 Q C -2.119 173.857 176.000 -0.040 0.000 0.941 355 Q CA -2.235 53.549 55.803 -0.031 0.000 0.912 355 Q CB 1.507 30.239 28.738 -0.011 0.000 1.244 355 Q HN 0.390 nan 8.270 nan 0.000 0.441 356 P HA 0.076 nan 4.420 nan 0.000 0.271 356 P C -0.868 176.263 177.300 -0.283 0.000 1.220 356 P CA -0.053 62.936 63.100 -0.185 0.000 0.768 356 P CB 1.274 32.861 31.700 -0.189 0.000 0.848 357 E N 1.798 121.792 120.200 -0.343 0.000 2.263 357 E HA 0.426 4.776 4.350 0.000 0.000 0.264 357 E C -0.891 175.419 176.600 -0.483 0.000 0.923 357 E CA -0.596 55.635 56.400 -0.282 0.000 0.802 357 E CB 1.039 30.699 29.700 -0.066 0.000 1.228 357 E HN 0.357 nan 8.360 nan 0.000 0.417 358 Y N -0.398 120.049 120.300 0.246 0.000 2.717 358 Y HA 0.337 4.887 4.550 0.000 0.000 0.250 358 Y C -0.285 175.855 175.900 0.399 0.000 1.149 358 Y CA -0.543 57.787 58.100 0.383 0.000 1.211 358 Y CB 1.239 39.820 38.460 0.202 0.000 1.289 358 Y HN 0.271 nan 8.280 nan 0.000 0.552 359 D N 0.950 121.464 120.400 0.189 0.000 2.505 359 D HA 0.137 4.777 4.640 0.000 0.000 0.250 359 D C 0.717 176.738 176.300 -0.465 0.000 1.164 359 D CA -0.216 53.745 54.000 -0.065 0.000 0.870 359 D CB 1.988 42.784 40.800 -0.006 0.000 1.160 359 D HN 0.165 nan 8.370 nan 0.000 0.549 360 L N 4.654 125.262 121.223 -1.025 0.000 2.013 360 L HA -0.151 4.189 4.340 0.000 0.000 0.212 360 L C 1.955 178.521 176.870 -0.507 0.000 1.073 360 L CA 2.175 56.348 54.840 -1.112 0.000 0.753 360 L CB -0.439 40.869 42.059 -1.252 0.000 0.890 360 L HN 0.599 nan 8.230 nan 0.000 0.432 361 E N -1.068 118.929 120.200 -0.338 0.000 2.160 361 E HA -0.237 4.113 4.350 0.000 0.000 0.195 361 E C 1.912 178.420 176.600 -0.154 0.000 0.991 361 E CA 1.096 57.378 56.400 -0.197 0.000 0.810 361 E CB -0.104 29.520 29.700 -0.126 0.000 0.742 361 E HN 0.451 nan 8.360 nan 0.000 0.466 362 L N 0.820 121.955 121.223 -0.148 0.000 2.478 362 L HA 0.131 4.471 4.340 0.000 0.000 0.223 362 L C 0.572 177.384 176.870 -0.096 0.000 1.140 362 L CA 0.749 55.533 54.840 -0.092 0.000 0.842 362 L CB -0.123 41.903 42.059 -0.054 0.000 0.953 362 L HN 0.172 nan 8.230 nan 0.000 0.452 363 I N -0.592 119.891 120.570 -0.145 0.000 2.395 363 I HA 0.139 4.309 4.170 0.000 0.000 0.289 363 I C 0.521 176.581 176.117 -0.095 0.000 1.023 363 I CA -0.035 61.196 61.300 -0.115 0.000 1.350 363 I CB 1.149 39.059 38.000 -0.150 0.000 1.409 363 I HN -0.006 nan 8.210 nan 0.000 0.507 364 T N 4.477 118.996 114.554 -0.059 0.000 2.840 364 T HA 0.552 4.902 4.350 0.000 0.000 0.287 364 T C -0.579 174.104 174.700 -0.027 0.000 0.991 364 T CA -0.554 61.521 62.100 -0.042 0.000 0.964 364 T CB 0.967 69.816 68.868 -0.032 0.000 0.954 364 T HN 0.670 nan 8.240 nan 0.000 0.438 365 S N 3.054 118.739 115.700 -0.025 0.000 2.536 365 S HA 0.526 4.996 4.470 0.000 0.000 0.287 365 S C 0.285 174.884 174.600 -0.001 0.000 1.101 365 S CA -0.468 57.719 58.200 -0.021 0.000 0.950 365 S CB 0.692 63.865 63.200 -0.046 0.000 1.056 365 S HN 1.328 nan 8.310 nan 0.000 0.481 366 C N 2.492 121.796 119.300 0.006 0.000 4.300 366 C HA -0.144 4.316 4.460 0.000 0.000 0.304 366 C C 1.376 176.417 174.990 0.086 0.000 1.367 366 C CA 0.675 59.716 59.018 0.038 0.000 2.032 366 C CB -3.286 24.466 27.740 0.021 0.000 1.285 366 C HN 1.568 nan 8.230 nan 0.000 0.737 367 S N -1.214 114.523 115.700 0.061 0.000 3.225 367 S HA -0.251 4.219 4.470 0.000 0.000 0.308 367 S C 0.488 175.127 174.600 0.065 0.000 1.270 367 S CA 1.664 59.899 58.200 0.058 0.000 1.011 367 S CB -0.890 62.358 63.200 0.079 0.000 1.138 367 S HN 1.930 nan 8.310 nan 0.000 0.661 368 S N 0.598 116.346 115.700 0.079 0.000 2.732 368 S HA 0.841 5.311 4.470 0.000 0.000 0.293 368 S C -0.970 173.647 174.600 0.028 0.000 1.159 368 S CA -0.294 57.962 58.200 0.094 0.000 0.847 368 S CB 2.137 65.498 63.200 0.268 0.000 1.169 368 S HN 0.587 nan 8.310 nan 0.000 0.501 369 N N -0.926 117.780 118.700 0.010 0.000 2.823 369 N HA 0.341 5.081 4.740 0.000 0.000 0.251 369 N C -1.765 173.678 175.510 -0.111 0.000 1.392 369 N CA -0.660 52.352 53.050 -0.062 0.000 0.864 369 N CB 1.342 39.781 38.487 -0.080 0.000 1.481 369 N HN 0.517 nan 8.380 nan 0.000 0.508 370 V N 0.538 120.359 119.914 -0.154 0.000 2.498 370 V HA 0.468 4.588 4.120 0.000 0.000 0.279 370 V C 0.507 176.469 176.094 -0.221 0.000 1.048 370 V CA -0.171 62.016 62.300 -0.189 0.000 0.967 370 V CB 0.727 32.460 31.823 -0.150 0.000 0.988 370 V HN 0.801 nan 8.190 nan 0.000 0.473 371 S N 3.624 119.085 115.700 -0.399 0.000 2.671 371 S HA 0.848 5.318 4.470 0.000 0.000 0.299 371 S C -0.959 173.499 174.600 -0.237 0.000 1.116 371 S CA -0.524 57.480 58.200 -0.326 0.000 0.912 371 S CB 2.072 65.059 63.200 -0.356 0.000 1.130 371 S HN 0.427 nan 8.310 nan 0.000 0.501 372 V N 1.484 121.343 119.914 -0.092 0.000 2.815 372 V HA 0.989 5.109 4.120 0.000 0.000 0.314 372 V C 0.377 176.400 176.094 -0.119 0.000 1.064 372 V CA -0.100 62.069 62.300 -0.218 0.000 0.952 372 V CB 1.152 32.684 31.823 -0.486 0.000 1.020 372 V HN 1.186 nan 8.190 nan 0.000 0.439 373 A N 2.345 124.943 122.820 -0.369 0.000 2.593 373 A HA 0.916 5.236 4.320 0.000 0.000 0.304 373 A C -1.652 175.399 177.584 -0.889 0.000 1.233 373 A CA -0.549 51.148 52.037 -0.567 0.000 0.661 373 A CB 1.597 20.175 19.000 -0.702 0.000 1.338 373 A HN 0.936 nan 8.150 nan 0.000 0.495 374 H N 0.476 119.201 119.070 -0.575 0.000 2.667 374 H HA 0.453 5.009 4.556 0.000 0.000 0.353 374 H C -0.851 174.171 175.328 -0.511 0.000 1.072 374 H CA -0.421 55.319 56.048 -0.512 0.000 1.214 374 H CB 1.365 30.814 29.762 -0.523 0.000 1.600 374 H HN 0.785 nan 8.280 nan 0.000 0.527 375 D N 1.663 121.994 120.400 -0.116 0.000 2.414 375 D HA 0.100 4.740 4.640 0.000 0.000 0.251 375 D C 1.184 177.590 176.300 0.177 0.000 1.252 375 D CA -0.167 53.832 54.000 -0.002 0.000 0.999 375 D CB 0.928 41.729 40.800 0.002 0.000 1.093 375 D HN 0.549 nan 8.370 nan 0.000 0.515 376 A N 0.503 123.428 122.820 0.174 0.000 1.948 376 A HA -0.231 4.089 4.320 0.000 0.000 0.220 376 A C 2.225 179.885 177.584 0.127 0.000 1.177 376 A CA 2.786 54.917 52.037 0.158 0.000 0.636 376 A CB -1.096 17.953 19.000 0.082 0.000 0.815 376 A HN 0.691 nan 8.150 nan 0.000 0.449 377 S N -2.240 113.519 115.700 0.098 0.000 2.474 377 S HA 0.298 4.768 4.470 0.000 0.000 0.235 377 S C 1.610 176.258 174.600 0.081 0.000 0.997 377 S CA 1.306 59.547 58.200 0.070 0.000 0.949 377 S CB -0.297 62.934 63.200 0.051 0.000 0.766 377 S HN 1.954 nan 8.310 nan 0.000 0.517 378 G N 1.118 109.994 108.800 0.127 0.000 2.238 378 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 378 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 378 G C 0.039 175.016 174.900 0.129 0.000 0.996 378 G CA 0.052 45.219 45.100 0.112 0.000 0.632 378 G HN 0.788 nan 8.290 nan 0.000 0.503 379 K N 1.449 121.903 120.400 0.091 0.000 2.489 379 K HA 0.350 4.670 4.320 0.000 0.000 0.278 379 K C 0.741 177.353 176.600 0.020 0.000 1.000 379 K CA -0.379 55.948 56.287 0.066 0.000 1.012 379 K CB 0.254 32.775 32.500 0.034 0.000 0.903 379 K HN 0.324 nan 8.250 nan 0.000 0.485 380 R N 2.109 122.587 120.500 -0.036 0.000 2.537 380 R HA 0.140 4.481 4.340 0.000 0.000 0.280 380 R C -0.851 175.274 176.300 -0.293 0.000 1.058 380 R CA -0.222 55.692 56.100 -0.310 0.000 1.057 380 R CB 0.844 30.957 30.300 -0.312 0.000 0.973 380 R HN 0.330 nan 8.270 nan 0.000 0.438 381 V N 4.680 124.344 119.914 -0.417 0.000 2.638 381 V HA 0.270 4.390 4.120 0.000 0.000 0.306 381 V C -1.170 174.779 176.094 -0.242 0.000 1.052 381 V CA -0.828 61.333 62.300 -0.231 0.000 0.885 381 V CB 1.626 33.356 31.823 -0.154 0.000 0.999 381 V HN 0.594 nan 8.190 nan 0.000 0.424 382 Y N 5.156 125.451 120.300 -0.007 0.000 2.334 382 Y HA 0.691 5.241 4.550 0.000 0.000 0.328 382 Y C -0.034 175.931 175.900 0.109 0.000 1.130 382 Y CA -0.382 57.726 58.100 0.013 0.000 1.163 382 Y CB 1.315 39.737 38.460 -0.063 0.000 1.207 382 Y HN 0.717 nan 8.280 nan 0.000 0.471 383 Y N -0.010 120.335 120.300 0.076 0.000 2.615 383 Y HA 0.628 5.178 4.550 0.000 0.000 0.341 383 Y C -1.953 173.989 175.900 0.070 0.000 1.089 383 Y CA -2.016 56.113 58.100 0.048 0.000 1.049 383 Y CB 0.968 39.432 38.460 0.007 0.000 1.296 383 Y HN 0.496 nan 8.280 nan 0.000 0.470 384 L N 2.975 124.227 121.223 0.048 0.000 2.265 384 L HA 0.467 4.807 4.340 0.000 0.000 0.288 384 L C -0.112 176.893 176.870 0.225 0.000 1.058 384 L CA 0.046 54.906 54.840 0.032 0.000 0.809 384 L CB 1.375 43.478 42.059 0.073 0.000 1.179 384 L HN 1.077 nan 8.230 nan 0.000 0.429 385 T N 5.194 119.804 114.554 0.093 0.000 2.804 385 T HA 0.626 4.976 4.350 0.000 0.000 0.272 385 T C -0.759 174.034 174.700 0.155 0.000 0.986 385 T CA -0.537 61.696 62.100 0.220 0.000 0.999 385 T CB 1.851 70.780 68.868 0.100 0.000 1.307 385 T HN 0.680 nan 8.240 nan 0.000 0.586 386 R N 0.775 121.326 120.500 0.084 0.000 2.690 386 R HA 0.222 4.562 4.340 0.000 0.000 0.269 386 R C -1.970 174.186 176.300 -0.241 0.000 1.037 386 R CA -0.570 55.451 56.100 -0.132 0.000 0.877 386 R CB 1.559 31.554 30.300 -0.508 0.000 1.255 386 R HN 0.788 nan 8.270 nan 0.000 0.467 387 D N 3.867 124.110 120.400 -0.262 0.000 2.383 387 D HA 0.086 4.726 4.640 0.000 0.000 0.252 387 D C -1.591 174.372 176.300 -0.563 0.000 1.166 387 D CA -1.533 52.271 54.000 -0.326 0.000 0.879 387 D CB 1.496 42.178 40.800 -0.197 0.000 1.164 387 D HN 0.254 nan 8.370 nan 0.000 0.462 388 P HA -0.002 nan 4.420 nan 0.000 0.245 388 P C 1.011 177.970 177.300 -0.568 0.000 1.212 388 P CA 0.203 62.625 63.100 -1.130 0.000 0.774 388 P CB 0.245 31.025 31.700 -1.534 0.000 0.999 389 T N -0.072 114.273 114.554 -0.349 0.000 2.595 389 T HA -0.131 4.219 4.350 0.000 0.000 0.264 389 T C 1.733 176.361 174.700 -0.119 0.000 1.058 389 T CA 2.442 64.433 62.100 -0.182 0.000 1.166 389 T CB -1.300 67.507 68.868 -0.103 0.000 0.863 389 T HN 0.197 nan 8.240 nan 0.000 0.415 390 T N 2.306 116.808 114.554 -0.087 0.000 2.759 390 T HA -0.062 4.288 4.350 0.000 0.000 0.269 390 T C -0.651 174.010 174.700 -0.065 0.000 1.042 390 T CA 1.147 63.232 62.100 -0.025 0.000 1.140 390 T CB -1.215 67.686 68.868 0.055 0.000 0.864 390 T HN 0.354 nan 8.240 nan 0.000 0.455 391 P HA 0.092 nan 4.420 nan 0.000 0.217 391 P C 1.438 178.734 177.300 -0.006 0.000 1.151 391 P CA 0.736 63.804 63.100 -0.053 0.000 0.828 391 P CB -0.128 31.493 31.700 -0.132 0.000 0.788 392 L N -1.588 119.589 121.223 -0.077 0.000 2.240 392 L HA -0.033 4.307 4.340 0.000 0.000 0.211 392 L C 2.350 179.231 176.870 0.017 0.000 1.106 392 L CA 0.987 55.806 54.840 -0.035 0.000 0.793 392 L CB -0.884 41.120 42.059 -0.092 0.000 0.927 392 L HN -0.057 nan 8.230 nan 0.000 0.446 393 A N 0.461 123.288 122.820 0.012 0.000 1.873 393 A HA -0.163 4.157 4.320 0.000 0.000 0.215 393 A C 2.355 179.992 177.584 0.089 0.000 1.186 393 A CA 1.238 53.307 52.037 0.052 0.000 0.616 393 A CB -0.360 18.653 19.000 0.021 0.000 0.823 393 A HN 0.293 nan 8.150 nan 0.000 0.442 394 R N -0.438 120.085 120.500 0.037 0.000 2.148 394 R HA 0.048 4.388 4.340 0.000 0.000 0.223 394 R C 2.334 178.762 176.300 0.214 0.000 1.088 394 R CA 0.879 57.022 56.100 0.072 0.000 0.985 394 R CB -0.356 29.920 30.300 -0.039 0.000 0.880 394 R HN 0.510 nan 8.270 nan 0.000 0.451 395 A N 1.394 124.343 122.820 0.215 0.000 1.898 395 A HA -0.075 4.245 4.320 0.000 0.000 0.216 395 A C 2.373 180.130 177.584 0.288 0.000 1.181 395 A CA 1.549 53.798 52.037 0.353 0.000 0.620 395 A CB -0.566 18.609 19.000 0.292 0.000 0.819 395 A HN 0.358 nan 8.150 nan 0.000 0.442 396 A N -1.335 121.581 122.820 0.161 0.000 1.902 396 A HA -0.193 4.127 4.320 0.000 0.000 0.217 396 A C 2.108 179.809 177.584 0.195 0.000 1.181 396 A CA 1.423 53.535 52.037 0.126 0.000 0.623 396 A CB -0.868 18.204 19.000 0.119 0.000 0.818 396 A HN 0.839 nan 8.150 nan 0.000 0.443 397 W N 1.048 122.395 121.300 0.078 0.000 2.358 397 W HA -0.130 4.530 4.660 0.000 0.000 0.303 397 W C 1.463 178.046 176.519 0.107 0.000 1.208 397 W CA 1.846 59.234 57.345 0.071 0.000 1.274 397 W CB -0.242 29.230 29.460 0.020 0.000 1.138 397 W HN 0.546 nan 8.180 nan 0.000 0.515 398 E N -0.866 119.577 120.200 0.406 0.000 2.418 398 E HA -0.102 4.248 4.350 0.000 0.000 0.197 398 E C 1.863 178.661 176.600 0.330 0.000 1.026 398 E CA 1.285 57.899 56.400 0.358 0.000 0.862 398 E CB -0.004 29.936 29.700 0.401 0.000 0.799 398 E HN 0.066 nan 8.360 nan 0.000 0.518 399 T N -0.115 114.615 114.554 0.294 0.000 3.031 399 T HA 0.087 4.437 4.350 0.000 0.000 0.254 399 T C 1.842 176.606 174.700 0.107 0.000 1.060 399 T CA 0.764 63.013 62.100 0.247 0.000 1.135 399 T CB 0.208 69.211 68.868 0.224 0.000 0.896 399 T HN 0.203 nan 8.240 nan 0.000 0.472 400 A N 0.805 123.636 122.820 0.017 0.000 1.943 400 A HA 0.317 4.637 4.320 0.000 0.000 0.213 400 A C 1.335 178.855 177.584 -0.106 0.000 1.181 400 A CA 0.396 52.384 52.037 -0.082 0.000 0.653 400 A CB 0.165 19.052 19.000 -0.189 0.000 0.833 400 A HN 0.268 nan 8.150 nan 0.000 0.451 401 R N -0.730 119.695 120.500 -0.126 0.000 2.744 401 R HA 0.283 4.623 4.340 0.000 0.000 0.279 401 R C -1.322 175.043 176.300 0.109 0.000 0.977 401 R CA -0.699 55.368 56.100 -0.054 0.000 0.906 401 R CB 0.905 31.080 30.300 -0.209 0.000 1.197 401 R HN 0.494 nan 8.270 nan 0.000 0.463 402 H N 2.481 121.595 119.070 0.073 0.000 2.742 402 H HA 0.146 4.702 4.556 0.000 0.000 0.302 402 H C -0.890 174.516 175.328 0.129 0.000 1.069 402 H CA 0.626 56.741 56.048 0.111 0.000 1.446 402 H CB 0.812 30.626 29.762 0.086 0.000 1.462 402 H HN 0.717 nan 8.280 nan 0.000 0.499 403 T N 2.731 117.211 114.554 -0.122 0.000 2.942 403 T HA 0.315 4.665 4.350 0.000 0.000 0.289 403 T C -1.812 172.806 174.700 -0.137 0.000 1.044 403 T CA -1.654 60.440 62.100 -0.010 0.000 1.023 403 T CB 2.375 71.272 68.868 0.049 0.000 1.123 403 T HN 0.386 nan 8.240 nan 0.000 0.512 404 P HA 0.127 nan 4.420 nan 0.000 0.216 404 P C 0.094 177.291 177.300 -0.173 0.000 1.156 404 P CA 0.366 63.410 63.100 -0.094 0.000 0.855 404 P CB 0.177 31.785 31.700 -0.153 0.000 0.786 405 V N 3.956 123.765 119.914 -0.174 0.000 2.293 405 V HA 0.192 4.312 4.120 0.000 0.000 0.275 405 V C -0.021 175.973 176.094 -0.165 0.000 1.021 405 V CA -0.867 61.325 62.300 -0.180 0.000 0.815 405 V CB 0.701 32.421 31.823 -0.172 0.000 1.025 405 V HN 0.240 nan 8.190 nan 0.000 0.448 406 N N 3.294 121.864 118.700 -0.215 0.000 2.437 406 N HA 0.106 4.846 4.740 0.000 0.000 0.259 406 N C 1.030 176.347 175.510 -0.322 0.000 0.983 406 N CA -0.108 52.808 53.050 -0.224 0.000 0.937 406 N CB 1.973 40.315 38.487 -0.242 0.000 1.122 406 N HN 0.532 nan 8.380 nan 0.000 0.499 407 S N 2.303 117.902 115.700 -0.167 0.000 2.419 407 S HA -0.153 4.317 4.470 0.000 0.000 0.233 407 S C 1.677 176.221 174.600 -0.093 0.000 1.016 407 S CA 0.201 58.331 58.200 -0.118 0.000 0.974 407 S CB -0.727 62.457 63.200 -0.027 0.000 0.786 407 S HN 0.851 nan 8.310 nan 0.000 0.492 408 W N 1.826 123.019 121.300 -0.177 0.000 2.318 408 W HA -0.158 4.502 4.660 0.000 0.000 0.313 408 W C 1.723 178.157 176.519 -0.141 0.000 1.221 408 W CA 0.749 57.963 57.345 -0.218 0.000 1.266 408 W CB -1.235 27.766 29.460 -0.766 0.000 1.150 408 W HN 0.361 nan 8.180 nan 0.000 0.496 409 L N 3.024 123.687 121.223 -0.932 0.000 2.131 409 L HA 0.087 4.428 4.340 0.000 0.000 0.210 409 L C 2.623 179.322 176.870 -0.285 0.000 1.092 409 L CA 2.661 57.052 54.840 -0.748 0.000 0.759 409 L CB -1.346 40.000 42.059 -1.188 0.000 0.903 409 L HN 0.085 nan 8.230 nan 0.000 0.435 410 G N -0.721 107.917 108.800 -0.270 0.000 2.421 410 G HA2 -0.286 3.674 3.960 0.000 0.000 0.216 410 G HA3 -0.286 3.674 3.960 0.000 0.000 0.216 410 G C 1.473 176.381 174.900 0.014 0.000 1.171 410 G CA 0.698 45.714 45.100 -0.141 0.000 0.775 410 G HN 0.441 nan 8.290 nan 0.000 0.543 411 N N 0.539 119.313 118.700 0.123 0.000 2.244 411 N HA -0.006 4.734 4.740 0.000 0.000 0.183 411 N C 2.226 177.895 175.510 0.265 0.000 1.016 411 N CA 0.571 53.815 53.050 0.324 0.000 0.866 411 N CB -0.109 38.642 38.487 0.438 0.000 0.980 411 N HN 0.319 nan 8.380 nan 0.000 0.430 412 I N 0.741 121.428 120.570 0.196 0.000 2.315 412 I HA -0.200 3.970 4.170 0.000 0.000 0.248 412 I C 2.001 178.184 176.117 0.109 0.000 1.117 412 I CA 0.797 62.195 61.300 0.163 0.000 1.404 412 I CB -0.042 38.118 38.000 0.266 0.000 1.071 412 I HN 0.051 nan 8.210 nan 0.000 0.419 413 I N -0.197 120.438 120.570 0.109 0.000 2.233 413 I HA -0.270 3.900 4.170 0.000 0.000 0.243 413 I C 2.438 178.673 176.117 0.196 0.000 1.093 413 I CA 1.069 62.466 61.300 0.162 0.000 1.380 413 I CB -0.111 37.963 38.000 0.123 0.000 1.067 413 I HN 0.166 nan 8.210 nan 0.000 0.413 414 M N -0.715 118.920 119.600 0.058 0.000 2.254 414 M HA -0.126 4.354 4.480 0.000 0.000 0.265 414 M C 1.048 177.148 176.300 -0.334 0.000 1.066 414 M CA 1.772 56.986 55.300 -0.142 0.000 1.123 414 M CB -0.854 31.556 32.600 -0.317 0.000 1.388 414 M HN 0.215 nan 8.290 nan 0.000 0.425 415 Y N -0.918 119.378 120.300 -0.007 0.000 2.713 415 Y HA 0.461 5.011 4.550 0.000 0.000 0.269 415 Y C 1.733 177.373 175.900 -0.434 0.000 1.106 415 Y CA -0.277 57.704 58.100 -0.199 0.000 1.174 415 Y CB -0.444 37.872 38.460 -0.240 0.000 1.186 415 Y HN 0.153 nan 8.280 nan 0.000 0.555 416 A N 0.922 123.529 122.820 -0.356 0.000 1.986 416 A HA -0.148 4.172 4.320 0.000 0.000 0.220 416 A C -0.579 176.711 177.584 -0.489 0.000 1.171 416 A CA 1.569 53.353 52.037 -0.421 0.000 0.640 416 A CB -1.261 17.477 19.000 -0.437 0.000 0.811 416 A HN 0.276 nan 8.150 nan 0.000 0.451 417 P HA 0.025 nan 4.420 nan 0.000 0.241 417 P C 0.638 177.667 177.300 -0.452 0.000 1.191 417 P CA 1.164 63.998 63.100 -0.443 0.000 0.771 417 P CB -0.208 31.283 31.700 -0.348 0.000 0.929 418 T N -1.998 112.289 114.554 -0.445 0.000 2.899 418 T HA 0.175 4.525 4.350 0.000 0.000 0.295 418 T C 1.222 175.462 174.700 -0.767 0.000 1.033 418 T CA -0.660 61.104 62.100 -0.560 0.000 1.084 418 T CB 0.656 69.048 68.868 -0.792 0.000 0.979 418 T HN -0.066 nan 8.240 nan 0.000 0.532 419 L N 0.832 121.490 121.223 -0.942 0.000 2.201 419 L HA 0.138 4.478 4.340 0.000 0.000 0.212 419 L C 2.194 178.729 176.870 -0.558 0.000 1.105 419 L CA 0.865 55.183 54.840 -0.870 0.000 0.775 419 L CB -1.074 40.288 42.059 -1.162 0.000 0.913 419 L HN 0.875 nan 8.230 nan 0.000 0.440 420 W N -0.601 120.474 121.300 -0.376 0.000 2.576 420 W HA 0.350 5.010 4.660 0.000 0.000 0.270 420 W C 1.856 178.226 176.519 -0.249 0.000 1.255 420 W CA 0.359 57.520 57.345 -0.307 0.000 1.314 420 W CB -0.795 28.515 29.460 -0.248 0.000 1.101 420 W HN 0.286 nan 8.180 nan 0.000 0.595 421 A N 1.755 124.187 122.820 -0.647 0.000 1.975 421 A HA 0.019 4.339 4.320 0.000 0.000 0.215 421 A C 2.228 179.685 177.584 -0.211 0.000 1.170 421 A CA 0.745 52.577 52.037 -0.341 0.000 0.656 421 A CB -0.500 18.175 19.000 -0.542 0.000 0.821 421 A HN 0.223 nan 8.150 nan 0.000 0.449 422 R N -0.789 119.484 120.500 -0.379 0.000 2.057 422 R HA 0.072 4.412 4.340 0.000 0.000 0.229 422 R C 2.202 178.326 176.300 -0.292 0.000 1.136 422 R CA 1.674 57.563 56.100 -0.351 0.000 0.952 422 R CB -0.370 29.553 30.300 -0.628 0.000 0.848 422 R HN 0.462 nan 8.270 nan 0.000 0.430 423 M N -0.066 119.191 119.600 -0.572 0.000 2.156 423 M HA -0.057 4.423 4.480 0.000 0.000 0.264 423 M C 1.996 178.257 176.300 -0.066 0.000 1.067 423 M CA 1.613 56.689 55.300 -0.373 0.000 1.131 423 M CB 0.003 32.333 32.600 -0.451 0.000 1.368 423 M HN 0.124 nan 8.290 nan 0.000 0.416 424 I N -1.159 119.201 120.570 -0.349 0.000 2.726 424 I HA -0.116 4.054 4.170 0.000 0.000 0.243 424 I C 1.996 177.935 176.117 -0.296 0.000 1.082 424 I CA 0.103 60.937 61.300 -0.778 0.000 1.447 424 I CB -0.373 37.117 38.000 -0.852 0.000 1.250 424 I HN 0.082 nan 8.210 nan 0.000 0.453 425 L N 0.684 121.897 121.223 -0.017 0.000 1.971 425 L HA -0.225 4.115 4.340 0.000 0.000 0.215 425 L C 2.606 179.718 176.870 0.403 0.000 1.072 425 L CA 2.217 57.215 54.840 0.265 0.000 0.758 425 L CB -0.906 41.364 42.059 0.352 0.000 0.889 425 L HN 0.229 nan 8.230 nan 0.000 0.433 426 M N -1.908 117.923 119.600 0.385 0.000 2.108 426 M HA -0.211 4.269 4.480 0.000 0.000 0.261 426 M C 2.096 178.869 176.300 0.788 0.000 1.066 426 M CA 2.030 57.677 55.300 0.578 0.000 1.107 426 M CB -0.824 31.967 32.600 0.319 0.000 1.356 426 M HN 0.280 nan 8.290 nan 0.000 0.406 427 T N -0.844 114.143 114.554 0.722 0.000 2.643 427 T HA -0.203 4.147 4.350 0.000 0.000 0.264 427 T C 1.749 176.720 174.700 0.451 0.000 1.045 427 T CA 1.475 63.986 62.100 0.685 0.000 1.155 427 T CB -0.616 68.691 68.868 0.732 0.000 0.863 427 T HN 0.446 nan 8.240 nan 0.000 0.420 428 H N 0.512 119.724 119.070 0.236 0.000 2.254 428 H HA -0.121 4.435 4.556 0.000 0.000 0.294 428 H C 2.117 177.296 175.328 -0.249 0.000 1.071 428 H CA 2.074 58.114 56.048 -0.014 0.000 1.228 428 H CB -0.668 28.909 29.762 -0.309 0.000 1.358 428 H HN 0.414 nan 8.280 nan 0.000 0.495 429 F N -0.485 119.471 119.950 0.009 0.000 2.269 429 F HA -0.135 4.392 4.527 0.000 0.000 0.301 429 F C 2.582 178.215 175.800 -0.279 0.000 1.082 429 F CA 0.609 58.365 58.000 -0.405 0.000 1.360 429 F CB -0.465 37.800 39.000 -1.224 0.000 1.041 429 F HN 0.096 nan 8.300 nan 0.000 0.512 430 F N -0.956 119.091 119.950 0.161 0.000 2.456 430 F HA -0.121 4.406 4.527 0.000 0.000 0.298 430 F C 2.554 178.396 175.800 0.070 0.000 1.104 430 F CA 0.996 59.115 58.000 0.197 0.000 1.435 430 F CB -0.399 38.823 39.000 0.371 0.000 1.078 430 F HN -0.127 nan 8.300 nan 0.000 0.546 431 S N 0.167 115.944 115.700 0.128 0.000 2.345 431 S HA -0.113 4.357 4.470 0.000 0.000 0.219 431 S C 2.182 176.740 174.600 -0.070 0.000 1.031 431 S CA 0.997 59.198 58.200 0.002 0.000 0.984 431 S CB -0.265 62.900 63.200 -0.059 0.000 0.874 431 S HN 0.122 nan 8.310 nan 0.000 0.451 432 I N 1.730 122.188 120.570 -0.186 0.000 2.091 432 I HA -0.141 4.029 4.170 0.000 0.000 0.239 432 I C 2.314 178.403 176.117 -0.046 0.000 1.061 432 I CA 1.219 62.417 61.300 -0.170 0.000 1.317 432 I CB -1.589 36.273 38.000 -0.231 0.000 1.031 432 I HN 0.314 nan 8.210 nan 0.000 0.401 433 L N -0.171 121.038 121.223 -0.022 0.000 2.079 433 L HA -0.208 4.132 4.340 0.000 0.000 0.210 433 L C 2.436 179.337 176.870 0.051 0.000 1.081 433 L CA 1.428 56.282 54.840 0.024 0.000 0.752 433 L CB -1.073 40.973 42.059 -0.021 0.000 0.896 433 L HN 0.172 nan 8.230 nan 0.000 0.433 434 L N -0.755 120.508 121.223 0.066 0.000 2.017 434 L HA -0.141 4.199 4.340 0.000 0.000 0.208 434 L C 2.551 179.446 176.870 0.042 0.000 1.073 434 L CA 1.986 56.873 54.840 0.079 0.000 0.745 434 L CB -0.950 41.164 42.059 0.092 0.000 0.894 434 L HN 0.228 nan 8.230 nan 0.000 0.432 435 A N -1.192 121.638 122.820 0.017 0.000 1.908 435 A HA -0.277 4.043 4.320 0.000 0.000 0.218 435 A C 2.089 179.681 177.584 0.015 0.000 1.181 435 A CA 2.023 54.062 52.037 0.003 0.000 0.627 435 A CB -0.557 18.431 19.000 -0.021 0.000 0.818 435 A HN 0.683 nan 8.150 nan 0.000 0.445 436 Q N -1.174 118.641 119.800 0.024 0.000 2.425 436 Q HA 0.053 4.393 4.340 0.000 0.000 0.204 436 Q C -0.509 175.519 176.000 0.047 0.000 0.933 436 Q CA 0.339 56.164 55.803 0.036 0.000 0.939 436 Q CB 0.317 29.085 28.738 0.049 0.000 1.044 436 Q HN 0.596 nan 8.270 nan 0.000 0.513 437 E N -0.007 120.223 120.200 0.051 0.000 2.694 437 E HA -0.204 4.146 4.350 0.000 0.000 0.272 437 E C 0.035 176.676 176.600 0.068 0.000 1.040 437 E CA 0.481 56.916 56.400 0.058 0.000 0.809 437 E CB -1.303 28.425 29.700 0.047 0.000 1.389 437 E HN 0.445 nan 8.360 nan 0.000 0.413 438 Q N -0.389 119.457 119.800 0.076 0.000 2.280 438 Q HA 0.150 4.490 4.340 0.000 0.000 0.201 438 Q C 1.874 177.931 176.000 0.095 0.000 0.890 438 Q CA -0.189 55.669 55.803 0.090 0.000 0.947 438 Q CB 0.222 29.024 28.738 0.107 0.000 1.081 438 Q HN 0.216 nan 8.270 nan 0.000 0.502 439 L N 0.981 122.262 121.223 0.096 0.000 2.013 439 L HA -0.204 4.136 4.340 0.000 0.000 0.212 439 L C 1.768 178.706 176.870 0.113 0.000 1.073 439 L CA 1.909 56.817 54.840 0.113 0.000 0.753 439 L CB -0.559 41.590 42.059 0.151 0.000 0.890 439 L HN 0.164 nan 8.230 nan 0.000 0.432 440 E N -0.838 119.422 120.200 0.100 0.000 2.274 440 E HA -0.115 4.235 4.350 0.000 0.000 0.194 440 E C 0.935 177.587 176.600 0.087 0.000 0.996 440 E CA 0.287 56.742 56.400 0.092 0.000 0.840 440 E CB -0.144 29.602 29.700 0.078 0.000 0.772 440 E HN 0.234 nan 8.360 nan 0.000 0.491 441 K N 1.511 121.965 120.400 0.089 0.000 2.382 441 K HA 0.191 4.511 4.320 0.000 0.000 0.286 441 K C -0.503 176.150 176.600 0.088 0.000 1.062 441 K CA -0.254 56.087 56.287 0.090 0.000 1.000 441 K CB 0.337 32.898 32.500 0.102 0.000 0.954 441 K HN 0.020 nan 8.250 nan 0.000 0.470 442 A N 5.123 127.991 122.820 0.080 0.000 2.462 442 A HA 0.310 4.631 4.320 0.000 0.000 0.243 442 A C -0.380 177.239 177.584 0.058 0.000 1.076 442 A CA -0.178 51.900 52.037 0.068 0.000 0.773 442 A CB 0.210 19.255 19.000 0.076 0.000 1.010 442 A HN 0.780 nan 8.150 nan 0.000 0.493 443 L N 0.972 122.201 121.223 0.010 0.000 2.301 443 L HA 0.465 4.805 4.340 0.000 0.000 0.264 443 L C -0.868 175.966 176.870 -0.059 0.000 1.016 443 L CA -1.022 53.799 54.840 -0.032 0.000 0.821 443 L CB 1.999 43.982 42.059 -0.126 0.000 1.346 443 L HN 0.539 nan 8.230 nan 0.000 0.429 444 D N 0.662 121.019 120.400 -0.071 0.000 2.233 444 D HA 0.530 5.170 4.640 0.000 0.000 0.240 444 D C -0.724 175.472 176.300 -0.173 0.000 1.074 444 D CA -0.052 53.904 54.000 -0.072 0.000 0.838 444 D CB 1.551 42.340 40.800 -0.018 0.000 1.124 444 D HN 0.615 nan 8.370 nan 0.000 0.475 445 C N 1.252 120.450 119.300 -0.170 0.000 3.318 445 C HA 0.873 5.333 4.460 0.000 0.000 0.329 445 C C -1.508 173.402 174.990 -0.134 0.000 1.449 445 C CA -0.891 58.002 59.018 -0.209 0.000 1.397 445 C CB 1.410 28.972 27.740 -0.297 0.000 1.810 445 C HN 0.653 nan 8.230 nan 0.000 0.449 446 Q N 0.670 120.395 119.800 -0.126 0.000 2.289 446 Q HA 0.791 5.131 4.340 0.000 0.000 0.270 446 Q C -1.830 174.118 176.000 -0.087 0.000 1.038 446 Q CA -0.557 55.217 55.803 -0.050 0.000 0.812 446 Q CB 1.818 30.532 28.738 -0.040 0.000 1.300 446 Q HN 0.765 nan 8.270 nan 0.000 0.427 447 I N 2.859 123.366 120.570 -0.105 0.000 2.378 447 I HA 0.287 4.457 4.170 0.000 0.000 0.291 447 I C -0.471 175.666 176.117 0.034 0.000 0.992 447 I CA -0.840 60.315 61.300 -0.242 0.000 1.154 447 I CB 0.848 38.375 38.000 -0.788 0.000 1.315 447 I HN 0.780 nan 8.210 nan 0.000 0.448 448 Y N 5.215 125.550 120.300 0.057 0.000 3.305 448 Y HA -0.319 4.231 4.550 0.000 0.000 0.212 448 Y C 1.604 177.495 175.900 -0.014 0.000 1.248 448 Y CA 0.159 58.286 58.100 0.044 0.000 1.359 448 Y CB -1.294 37.201 38.460 0.058 0.000 1.407 448 Y HN 1.053 nan 8.280 nan 0.000 0.572 449 G N -1.475 107.420 108.800 0.159 0.000 2.267 449 G HA2 -0.219 3.741 3.960 0.000 0.000 0.257 449 G HA3 -0.219 3.741 3.960 0.000 0.000 0.257 449 G C 0.253 175.198 174.900 0.075 0.000 0.998 449 G CA 0.097 45.253 45.100 0.094 0.000 0.620 449 G HN 1.377 nan 8.290 nan 0.000 0.529 450 A N -0.770 122.114 122.820 0.106 0.000 2.279 450 A HA 0.695 5.015 4.320 0.000 0.000 0.303 450 A C 0.579 178.025 177.584 -0.230 0.000 1.108 450 A CA 0.399 52.347 52.037 -0.148 0.000 0.830 450 A CB 1.163 20.014 19.000 -0.249 0.000 1.106 450 A HN 1.521 nan 8.150 nan 0.000 0.493 451 C N 1.120 120.157 119.300 -0.437 0.000 2.341 451 C HA 0.840 5.300 4.460 0.000 0.000 0.338 451 C C -1.143 173.431 174.990 -0.694 0.000 1.257 451 C CA -0.487 58.333 59.018 -0.331 0.000 1.883 451 C CB -0.860 26.831 27.740 -0.081 0.000 2.334 451 C HN 0.647 nan 8.230 nan 0.000 0.524 452 Y N 2.020 122.102 120.300 -0.363 0.000 2.576 452 Y HA 0.511 5.061 4.550 0.000 0.000 0.346 452 Y C 0.344 176.095 175.900 -0.248 0.000 1.018 452 Y CA -0.687 57.176 58.100 -0.394 0.000 1.050 452 Y CB 1.821 40.006 38.460 -0.458 0.000 1.280 452 Y HN 0.522 nan 8.280 nan 0.000 0.474 453 S N 2.362 118.053 115.700 -0.015 0.000 2.566 453 S HA 0.665 5.135 4.470 0.000 0.000 0.324 453 S C -0.847 173.791 174.600 0.064 0.000 1.081 453 S CA -0.460 57.765 58.200 0.042 0.000 1.105 453 S CB -0.214 63.043 63.200 0.095 0.000 0.981 453 S HN 0.431 nan 8.310 nan 0.000 0.464 454 I N 2.498 123.085 120.570 0.029 0.000 2.603 454 I HA 0.420 4.590 4.170 0.000 0.000 0.300 454 I C 0.169 176.314 176.117 0.046 0.000 1.017 454 I CA -0.689 60.645 61.300 0.057 0.000 1.098 454 I CB 1.978 39.998 38.000 0.033 0.000 1.279 454 I HN 0.419 nan 8.210 nan 0.000 0.437 455 E N 6.501 126.751 120.200 0.083 0.000 2.081 455 E HA 0.246 4.596 4.350 0.000 0.000 0.276 455 E C -1.681 174.989 176.600 0.116 0.000 0.950 455 E CA -1.914 54.540 56.400 0.090 0.000 0.776 455 E CB 1.355 31.113 29.700 0.097 0.000 1.094 455 E HN 0.295 nan 8.360 nan 0.000 0.402 456 P HA -0.224 nan 4.420 nan 0.000 0.218 456 P C 1.005 178.495 177.300 0.317 0.000 1.150 456 P CA 1.243 64.441 63.100 0.163 0.000 0.841 456 P CB 0.195 31.933 31.700 0.063 0.000 0.784 457 L N -0.719 120.666 121.223 0.270 0.000 2.622 457 L HA -0.045 4.295 4.340 0.000 0.000 0.233 457 L C 1.536 178.535 176.870 0.215 0.000 1.156 457 L CA 0.900 55.919 54.840 0.298 0.000 0.866 457 L CB -0.637 41.554 42.059 0.219 0.000 0.980 457 L HN -0.076 nan 8.230 nan 0.000 0.448 458 D N -0.814 119.698 120.400 0.187 0.000 2.367 458 D HA -0.018 4.622 4.640 0.000 0.000 0.207 458 D C 2.127 178.518 176.300 0.151 0.000 1.034 458 D CA 0.039 54.118 54.000 0.132 0.000 0.861 458 D CB 0.444 41.307 40.800 0.105 0.000 0.943 458 D HN 0.085 nan 8.370 nan 0.000 0.515 459 L N 1.563 122.923 121.223 0.227 0.000 2.034 459 L HA -0.176 4.164 4.340 0.000 0.000 0.217 459 L C -0.593 176.410 176.870 0.221 0.000 1.077 459 L CA 2.217 57.209 54.840 0.253 0.000 0.769 459 L CB -1.961 40.325 42.059 0.379 0.000 0.890 459 L HN 0.039 nan 8.230 nan 0.000 0.435 460 P HA -0.201 nan 4.420 nan 0.000 0.213 460 P C 1.662 179.047 177.300 0.142 0.000 1.170 460 P CA 1.397 64.598 63.100 0.168 0.000 0.902 460 P CB 0.023 31.684 31.700 -0.065 0.000 0.789 461 Q N -0.718 119.100 119.800 0.030 0.000 2.030 461 Q HA -0.138 4.202 4.340 0.000 0.000 0.204 461 Q C 2.244 178.245 176.000 0.001 0.000 0.986 461 Q CA 1.453 57.249 55.803 -0.011 0.000 0.843 461 Q CB -1.234 27.483 28.738 -0.035 0.000 0.904 461 Q HN 0.241 nan 8.270 nan 0.000 0.420 462 I N 0.117 120.695 120.570 0.014 0.000 2.087 462 I HA -0.345 3.825 4.170 0.000 0.000 0.240 462 I C 2.120 178.257 176.117 0.033 0.000 1.054 462 I CA 1.500 62.787 61.300 -0.021 0.000 1.311 462 I CB -0.468 37.580 38.000 0.079 0.000 1.024 462 I HN 0.203 nan 8.210 nan 0.000 0.402 463 I N 0.333 120.979 120.570 0.126 0.000 2.208 463 I HA -0.321 3.849 4.170 0.000 0.000 0.245 463 I C 2.665 178.805 176.117 0.039 0.000 1.097 463 I CA 1.562 62.945 61.300 0.138 0.000 1.363 463 I CB -0.435 37.605 38.000 0.067 0.000 1.051 463 I HN 0.305 nan 8.210 nan 0.000 0.413 464 E N 0.662 120.906 120.200 0.073 0.000 2.110 464 E HA -0.224 4.126 4.350 0.000 0.000 0.193 464 E C 2.365 178.959 176.600 -0.010 0.000 0.988 464 E CA 0.835 57.268 56.400 0.054 0.000 0.804 464 E CB 0.116 29.895 29.700 0.133 0.000 0.745 464 E HN 0.239 nan 8.360 nan 0.000 0.458 465 R N 0.145 120.620 120.500 -0.041 0.000 2.115 465 R HA -0.018 4.322 4.340 0.000 0.000 0.226 465 R C 2.322 178.545 176.300 -0.128 0.000 1.100 465 R CA 0.629 56.675 56.100 -0.089 0.000 0.980 465 R CB -0.195 30.025 30.300 -0.134 0.000 0.875 465 R HN 0.296 nan 8.270 nan 0.000 0.445 466 L N -1.224 119.901 121.223 -0.163 0.000 2.202 466 L HA -0.029 4.311 4.340 0.000 0.000 0.205 466 L C 1.782 178.353 176.870 -0.498 0.000 1.083 466 L CA 0.804 55.443 54.840 -0.335 0.000 0.790 466 L CB -0.137 41.682 42.059 -0.400 0.000 0.942 466 L HN 0.217 nan 8.230 nan 0.000 0.452 467 H N -1.037 117.961 119.070 -0.120 0.000 3.058 467 H HA 0.323 4.879 4.556 0.000 0.000 0.258 467 H C 0.862 176.112 175.328 -0.131 0.000 1.015 467 H CA 0.786 56.752 56.048 -0.137 0.000 1.210 467 H CB 1.114 30.767 29.762 -0.182 0.000 1.481 467 H HN 0.257 nan 8.280 nan 0.000 0.492 468 G N 1.161 109.949 108.800 -0.020 0.000 2.699 468 G HA2 -0.229 3.731 3.960 0.000 0.000 0.686 468 G HA3 -0.229 3.731 3.960 0.000 0.000 0.686 468 G C 0.321 175.191 174.900 -0.050 0.000 1.301 468 G CA -0.210 44.878 45.100 -0.020 0.000 0.816 468 G HN 0.128 nan 8.290 nan 0.000 0.595 469 L N 1.540 122.791 121.223 0.046 0.000 2.127 469 L HA -0.042 4.298 4.340 0.000 0.000 0.211 469 L C 3.226 180.154 176.870 0.097 0.000 1.089 469 L CA 3.197 58.137 54.840 0.167 0.000 0.757 469 L CB -0.679 41.509 42.059 0.215 0.000 0.899 469 L HN 1.295 nan 8.230 nan 0.000 0.434 470 S N -1.296 114.412 115.700 0.014 0.000 2.442 470 S HA -0.163 4.307 4.470 0.000 0.000 0.236 470 S C 2.152 176.690 174.600 -0.104 0.000 1.007 470 S CA 0.747 58.941 58.200 -0.010 0.000 0.965 470 S CB -0.673 62.512 63.200 -0.026 0.000 0.773 470 S HN 0.388 nan 8.310 nan 0.000 0.504 471 A N 1.219 123.884 122.820 -0.258 0.000 1.986 471 A HA 0.046 4.366 4.320 0.000 0.000 0.220 471 A C 1.685 179.052 177.584 -0.361 0.000 1.171 471 A CA 1.308 53.093 52.037 -0.419 0.000 0.640 471 A CB -1.047 17.573 19.000 -0.633 0.000 0.811 471 A HN 0.683 nan 8.150 nan 0.000 0.451 472 F N -0.079 119.892 119.950 0.034 0.000 2.797 472 F HA 0.088 4.615 4.527 0.000 0.000 0.302 472 F C 1.245 177.097 175.800 0.086 0.000 1.130 472 F CA 0.578 58.626 58.000 0.080 0.000 1.387 472 F CB 0.376 39.458 39.000 0.137 0.000 1.107 472 F HN 0.140 nan 8.300 nan 0.000 0.577 473 S N -0.306 115.490 115.700 0.159 0.000 2.937 473 S HA 0.310 4.780 4.470 0.000 0.000 0.252 473 S C 0.110 174.771 174.600 0.101 0.000 1.022 473 S CA -0.388 57.902 58.200 0.150 0.000 1.079 473 S CB -0.074 63.213 63.200 0.146 0.000 1.035 473 S HN 0.053 nan 8.310 nan 0.000 0.594 474 L N 2.928 124.114 121.223 -0.061 0.000 2.380 474 L HA 0.358 4.698 4.340 0.000 0.000 0.273 474 L C 1.222 177.912 176.870 -0.300 0.000 1.138 474 L CA 0.096 54.750 54.840 -0.309 0.000 0.832 474 L CB 0.364 42.103 42.059 -0.533 0.000 1.124 474 L HN 0.553 nan 8.230 nan 0.000 0.454 475 H N -2.263 116.557 119.070 -0.417 0.000 3.899 475 H HA 0.196 4.753 4.556 0.000 0.000 0.260 475 H C 0.253 175.444 175.328 -0.229 0.000 1.122 475 H CA -0.272 55.615 56.048 -0.267 0.000 1.165 475 H CB 0.351 30.072 29.762 -0.069 0.000 1.503 475 H HN 0.363 nan 8.280 nan 0.000 0.671 476 S N 1.673 117.110 115.700 -0.439 0.000 2.497 476 S HA 0.232 4.703 4.470 0.000 0.000 0.193 476 S C -0.897 173.664 174.600 -0.066 0.000 1.360 476 S CA -0.700 57.447 58.200 -0.087 0.000 1.204 476 S CB -0.788 62.407 63.200 -0.008 0.000 1.171 476 S HN 0.263 nan 8.310 nan 0.000 0.502 477 Y N 1.763 122.075 120.300 0.020 0.000 2.652 477 Y HA -0.002 4.548 4.550 0.000 0.000 0.344 477 Y C 1.521 177.453 175.900 0.054 0.000 1.254 477 Y CA 0.193 58.311 58.100 0.030 0.000 1.480 477 Y CB 0.259 38.733 38.460 0.023 0.000 1.345 477 Y HN 0.261 nan 8.280 nan 0.000 0.617 478 S N 3.673 119.511 115.700 0.231 0.000 2.569 478 S HA -0.027 4.443 4.470 0.000 0.000 0.274 478 S C -1.552 173.123 174.600 0.126 0.000 1.353 478 S CA -0.906 57.373 58.200 0.132 0.000 1.023 478 S CB 0.486 63.741 63.200 0.091 0.000 0.876 478 S HN 0.515 nan 8.310 nan 0.000 0.540 479 P HA 0.065 nan 4.420 nan 0.000 0.218 479 P C 1.626 178.961 177.300 0.058 0.000 1.152 479 P CA 0.746 63.889 63.100 0.071 0.000 0.826 479 P CB -0.189 31.543 31.700 0.054 0.000 0.790 480 G N 0.415 109.244 108.800 0.048 0.000 2.440 480 G HA2 -0.288 3.672 3.960 0.000 0.000 0.218 480 G HA3 -0.288 3.672 3.960 0.000 0.000 0.218 480 G C 1.682 176.602 174.900 0.035 0.000 1.154 480 G CA 0.908 46.027 45.100 0.032 0.000 0.767 480 G HN 0.254 nan 8.290 nan 0.000 0.552 481 E N 0.589 120.824 120.200 0.060 0.000 2.072 481 E HA -0.005 4.345 4.350 0.000 0.000 0.190 481 E C 2.445 179.074 176.600 0.049 0.000 0.982 481 E CA 0.624 57.065 56.400 0.068 0.000 0.803 481 E CB -0.363 29.420 29.700 0.137 0.000 0.755 481 E HN 0.489 nan 8.360 nan 0.000 0.453 482 I N 0.502 121.108 120.570 0.060 0.000 2.315 482 I HA -0.250 3.920 4.170 0.000 0.000 0.248 482 I C 1.877 178.013 176.117 0.032 0.000 1.117 482 I CA 1.274 62.600 61.300 0.043 0.000 1.404 482 I CB -0.444 37.600 38.000 0.074 0.000 1.071 482 I HN 0.204 nan 8.210 nan 0.000 0.419 483 N N 0.395 119.115 118.700 0.032 0.000 2.084 483 N HA -0.167 4.573 4.740 0.000 0.000 0.190 483 N C 2.041 177.554 175.510 0.005 0.000 1.030 483 N CA 0.753 53.816 53.050 0.022 0.000 0.849 483 N CB -0.084 38.416 38.487 0.021 0.000 1.012 483 N HN 0.212 nan 8.380 nan 0.000 0.423 484 R N 0.957 121.455 120.500 -0.005 0.000 2.097 484 R HA -0.143 4.197 4.340 0.000 0.000 0.236 484 R C 2.099 178.368 176.300 -0.052 0.000 1.135 484 R CA 1.498 57.578 56.100 -0.033 0.000 0.934 484 R CB -0.602 29.671 30.300 -0.045 0.000 0.846 484 R HN 0.111 nan 8.270 nan 0.000 0.431 485 V N 0.843 120.730 119.914 -0.044 0.000 2.287 485 V HA -0.277 3.843 4.120 0.000 0.000 0.248 485 V C 2.539 178.619 176.094 -0.023 0.000 1.053 485 V CA 1.980 64.247 62.300 -0.056 0.000 1.027 485 V CB -0.992 30.828 31.823 -0.006 0.000 0.646 485 V HN 0.476 nan 8.190 nan 0.000 0.447 486 A N -0.383 122.441 122.820 0.006 0.000 1.865 486 A HA -0.290 4.030 4.320 0.000 0.000 0.217 486 A C 2.571 180.165 177.584 0.017 0.000 1.191 486 A CA 2.537 54.590 52.037 0.028 0.000 0.623 486 A CB -1.097 17.925 19.000 0.037 0.000 0.826 486 A HN 0.476 nan 8.150 nan 0.000 0.444 487 S N -1.194 114.509 115.700 0.005 0.000 2.359 487 S HA -0.268 4.202 4.470 0.000 0.000 0.223 487 S C 2.158 176.754 174.600 -0.006 0.000 1.039 487 S CA 1.930 60.132 58.200 0.002 0.000 1.042 487 S CB -1.056 62.141 63.200 -0.006 0.000 0.915 487 S HN 0.872 nan 8.310 nan 0.000 0.439 488 C N 1.607 120.886 119.300 -0.035 0.000 2.432 488 C HA 0.004 4.464 4.460 0.000 0.000 0.277 488 C C 2.510 177.480 174.990 -0.033 0.000 1.249 488 C CA 1.076 60.063 59.018 -0.051 0.000 1.725 488 C CB -1.789 25.882 27.740 -0.116 0.000 2.028 488 C HN 0.686 nan 8.230 nan 0.000 0.477 489 L N 0.613 121.822 121.223 -0.023 0.000 2.042 489 L HA -0.138 4.202 4.340 0.000 0.000 0.210 489 L C 3.072 179.939 176.870 -0.005 0.000 1.076 489 L CA 1.523 56.365 54.840 0.003 0.000 0.749 489 L CB -0.898 41.196 42.059 0.057 0.000 0.893 489 L HN 0.273 nan 8.230 nan 0.000 0.432 490 R N 0.600 121.110 120.500 0.017 0.000 2.082 490 R HA -0.165 4.175 4.340 0.000 0.000 0.234 490 R C 2.138 178.470 176.300 0.053 0.000 1.136 490 R CA 1.274 57.395 56.100 0.035 0.000 0.935 490 R CB -0.878 29.452 30.300 0.050 0.000 0.842 490 R HN 0.317 nan 8.270 nan 0.000 0.430 491 K N 0.644 121.080 120.400 0.059 0.000 2.034 491 K HA -0.141 4.179 4.320 0.000 0.000 0.214 491 K C 1.998 178.696 176.600 0.164 0.000 1.051 491 K CA 1.638 57.990 56.287 0.110 0.000 0.931 491 K CB -0.196 32.339 32.500 0.059 0.000 0.715 491 K HN 0.153 nan 8.250 nan 0.000 0.446 492 L N -0.911 120.312 121.223 -0.000 0.000 2.418 492 L HA 0.059 4.399 4.340 0.000 0.000 0.218 492 L C 1.149 177.672 176.870 -0.578 0.000 1.125 492 L CA 0.584 55.373 54.840 -0.085 0.000 0.835 492 L CB -0.022 42.014 42.059 -0.037 0.000 0.953 492 L HN 0.582 nan 8.230 nan 0.000 0.454 493 G N 0.673 109.029 108.800 -0.740 0.000 2.171 493 G HA2 -0.215 3.745 3.960 0.000 0.000 0.238 493 G HA3 -0.215 3.745 3.960 0.000 0.000 0.238 493 G C -0.074 174.677 174.900 -0.248 0.000 1.039 493 G CA -0.124 44.484 45.100 -0.820 0.000 0.759 493 G HN 0.078 nan 8.290 nan 0.000 0.501 494 V N 2.268 122.126 119.914 -0.094 0.000 2.465 494 V HA 0.465 4.585 4.120 0.000 0.000 0.279 494 V C -1.100 175.084 176.094 0.150 0.000 1.045 494 V CA -1.511 60.840 62.300 0.086 0.000 0.938 494 V CB 1.554 33.461 31.823 0.140 0.000 0.986 494 V HN 0.263 nan 8.190 nan 0.000 0.467 495 P HA 0.095 nan 4.420 nan 0.000 0.266 495 P C -2.659 174.767 177.300 0.209 0.000 1.186 495 P CA -0.855 62.272 63.100 0.045 0.000 0.767 495 P CB -0.325 31.229 31.700 -0.244 0.000 0.820 496 P HA 0.110 nan 4.420 nan 0.000 0.271 496 P C 1.286 178.783 177.300 0.328 0.000 1.233 496 P CA -0.149 63.069 63.100 0.197 0.000 0.789 496 P CB 0.398 32.166 31.700 0.114 0.000 0.951 497 L N 0.254 121.670 121.223 0.323 0.000 2.127 497 L HA -0.214 4.126 4.340 0.000 0.000 0.211 497 L C 2.706 179.767 176.870 0.318 0.000 1.089 497 L CA 1.501 56.559 54.840 0.363 0.000 0.757 497 L CB -0.689 41.491 42.059 0.202 0.000 0.899 497 L HN 0.513 nan 8.230 nan 0.000 0.434 498 R N 0.491 121.123 120.500 0.220 0.000 2.105 498 R HA -0.145 4.195 4.340 0.000 0.000 0.239 498 R C 1.932 178.375 176.300 0.238 0.000 1.135 498 R CA 1.940 58.160 56.100 0.200 0.000 0.967 498 R CB -0.812 29.588 30.300 0.167 0.000 0.861 498 R HN 0.250 nan 8.270 nan 0.000 0.442 499 V N 0.321 120.323 119.914 0.145 0.000 2.358 499 V HA -0.191 3.929 4.120 0.000 0.000 0.246 499 V C 2.047 178.135 176.094 -0.011 0.000 1.047 499 V CA 1.880 64.191 62.300 0.019 0.000 1.035 499 V CB -0.731 30.947 31.823 -0.242 0.000 0.658 499 V HN 0.375 nan 8.190 nan 0.000 0.452 500 W N 0.207 121.620 121.300 0.188 0.000 2.374 500 W HA -0.111 4.549 4.660 0.000 0.000 0.288 500 W C 2.713 179.402 176.519 0.283 0.000 1.218 500 W CA 1.080 58.564 57.345 0.233 0.000 1.245 500 W CB -0.333 29.271 29.460 0.242 0.000 1.126 500 W HN 0.071 nan 8.180 nan 0.000 0.545 501 R N -0.608 120.139 120.500 0.411 0.000 2.080 501 R HA -0.174 4.166 4.340 0.000 0.000 0.236 501 R C 2.003 178.284 176.300 -0.032 0.000 1.137 501 R CA 1.706 57.935 56.100 0.215 0.000 0.943 501 R CB -0.944 29.377 30.300 0.034 0.000 0.846 501 R HN 0.340 nan 8.270 nan 0.000 0.431 502 H N 0.151 119.260 119.070 0.065 0.000 2.353 502 H HA -0.070 4.486 4.556 0.000 0.000 0.300 502 H C 2.262 177.565 175.328 -0.042 0.000 1.090 502 H CA 1.432 57.472 56.048 -0.012 0.000 1.327 502 H CB -0.031 29.712 29.762 -0.031 0.000 1.383 502 H HN 0.187 nan 8.280 nan 0.000 0.508 503 R N 0.427 120.982 120.500 0.092 0.000 2.081 503 R HA -0.036 4.304 4.340 0.000 0.000 0.235 503 R C 2.588 178.884 176.300 -0.006 0.000 1.131 503 R CA 1.016 57.132 56.100 0.027 0.000 0.960 503 R CB -0.207 30.102 30.300 0.015 0.000 0.856 503 R HN 0.209 nan 8.270 nan 0.000 0.436 504 A N 1.073 123.916 122.820 0.039 0.000 1.972 504 A HA -0.167 4.153 4.320 0.000 0.000 0.219 504 A C 2.044 179.390 177.584 -0.398 0.000 1.169 504 A CA 1.232 53.159 52.037 -0.183 0.000 0.635 504 A CB -0.291 18.660 19.000 -0.080 0.000 0.810 504 A HN 0.206 nan 8.150 nan 0.000 0.446 505 R N -0.850 119.495 120.500 -0.257 0.000 2.090 505 R HA -0.058 4.282 4.340 0.000 0.000 0.228 505 R C 2.632 178.811 176.300 -0.202 0.000 1.110 505 R CA 1.263 57.220 56.100 -0.239 0.000 0.973 505 R CB -0.344 29.861 30.300 -0.159 0.000 0.869 505 R HN 0.544 nan 8.270 nan 0.000 0.440 506 S N 0.184 115.793 115.700 -0.151 0.000 2.348 506 S HA -0.122 4.348 4.470 0.000 0.000 0.221 506 S C 1.997 176.496 174.600 -0.169 0.000 1.033 506 S CA 1.490 59.616 58.200 -0.123 0.000 1.010 506 S CB -0.175 62.975 63.200 -0.082 0.000 0.891 506 S HN 0.113 nan 8.310 nan 0.000 0.442 507 V N 2.821 122.591 119.914 -0.240 0.000 2.295 507 V HA -0.156 3.964 4.120 0.000 0.000 0.246 507 V C 2.726 178.597 176.094 -0.371 0.000 1.049 507 V CA 2.281 64.405 62.300 -0.294 0.000 1.024 507 V CB -0.934 30.651 31.823 -0.397 0.000 0.648 507 V HN 0.529 nan 8.190 nan 0.000 0.447 508 R N 0.589 120.753 120.500 -0.560 0.000 2.096 508 R HA -0.227 4.113 4.340 0.000 0.000 0.240 508 R C 2.250 178.434 176.300 -0.193 0.000 1.139 508 R CA 1.993 57.856 56.100 -0.395 0.000 0.952 508 R CB -0.517 29.572 30.300 -0.352 0.000 0.854 508 R HN 0.478 nan 8.270 nan 0.000 0.436 509 A N 1.231 123.947 122.820 -0.172 0.000 1.933 509 A HA -0.146 4.174 4.320 0.000 0.000 0.218 509 A C 2.164 179.702 177.584 -0.076 0.000 1.175 509 A CA 1.367 53.340 52.037 -0.107 0.000 0.628 509 A CB -0.385 18.558 19.000 -0.095 0.000 0.814 509 A HN 0.406 nan 8.150 nan 0.000 0.444 510 R N -0.537 119.915 120.500 -0.080 0.000 2.073 510 R HA 0.049 4.389 4.340 0.000 0.000 0.229 510 R C 2.052 178.344 176.300 -0.013 0.000 1.120 510 R CA 1.193 57.270 56.100 -0.040 0.000 0.967 510 R CB -0.617 29.663 30.300 -0.033 0.000 0.862 510 R HN 0.473 nan 8.270 nan 0.000 0.436 511 L N 1.034 122.247 121.223 -0.018 0.000 2.042 511 L HA -0.203 4.137 4.340 0.000 0.000 0.210 511 L C 2.520 179.401 176.870 0.018 0.000 1.076 511 L CA 1.321 56.177 54.840 0.027 0.000 0.749 511 L CB -0.534 41.540 42.059 0.024 0.000 0.893 511 L HN 0.190 nan 8.230 nan 0.000 0.432 512 L N -0.277 120.939 121.223 -0.012 0.000 2.079 512 L HA -0.188 4.152 4.340 0.000 0.000 0.210 512 L C 2.537 179.405 176.870 -0.004 0.000 1.081 512 L CA 1.494 56.326 54.840 -0.013 0.000 0.752 512 L CB -0.594 41.443 42.059 -0.036 0.000 0.896 512 L HN 0.393 nan 8.230 nan 0.000 0.433 513 S N -1.218 114.478 115.700 -0.006 0.000 2.727 513 S HA -0.081 4.389 4.470 0.000 0.000 0.226 513 S C 1.232 175.839 174.600 0.011 0.000 0.963 513 S CA 0.321 58.520 58.200 -0.002 0.000 0.950 513 S CB -0.148 63.048 63.200 -0.007 0.000 0.779 513 S HN 0.554 nan 8.310 nan 0.000 0.532 514 Q N 0.533 120.347 119.800 0.022 0.000 2.164 514 Q HA 0.336 4.676 4.340 0.000 0.000 0.226 514 Q C 1.109 177.131 176.000 0.036 0.000 0.813 514 Q CA -0.067 55.756 55.803 0.033 0.000 0.978 514 Q CB 0.849 29.616 28.738 0.050 0.000 1.149 514 Q HN 0.605 nan 8.270 nan 0.000 0.489 515 G N 1.339 110.156 108.800 0.030 0.000 2.681 515 G HA2 -0.197 3.763 3.960 0.000 0.000 0.320 515 G HA3 -0.197 3.763 3.960 0.000 0.000 0.320 515 G C 0.618 175.544 174.900 0.043 0.000 1.339 515 G CA 0.177 45.296 45.100 0.031 0.000 0.916 515 G HN 0.709 nan 8.290 nan 0.000 0.559 516 G N -1.097 107.728 108.800 0.041 0.000 2.582 516 G HA2 -0.271 3.689 3.960 0.000 0.000 0.288 516 G HA3 -0.271 3.689 3.960 0.000 0.000 0.288 516 G C 1.290 176.226 174.900 0.060 0.000 1.247 516 G CA 1.275 46.404 45.100 0.047 0.000 0.972 516 G HN 1.278 nan 8.290 nan 0.000 0.557 517 R N 0.246 120.788 120.500 0.070 0.000 2.096 517 R HA -0.005 4.335 4.340 0.000 0.000 0.235 517 R C 3.127 179.497 176.300 0.117 0.000 1.127 517 R CA 2.146 58.299 56.100 0.088 0.000 0.968 517 R CB -0.975 29.384 30.300 0.097 0.000 0.861 517 R HN 0.742 nan 8.270 nan 0.000 0.440 518 A N 0.997 123.891 122.820 0.123 0.000 1.929 518 A HA 0.006 4.326 4.320 0.000 0.000 0.216 518 A C 2.367 180.010 177.584 0.097 0.000 1.176 518 A CA 1.435 53.562 52.037 0.149 0.000 0.628 518 A CB -0.403 18.684 19.000 0.146 0.000 0.816 518 A HN 0.332 nan 8.150 nan 0.000 0.444 519 A N -0.787 122.075 122.820 0.071 0.000 1.933 519 A HA -0.086 4.234 4.320 0.000 0.000 0.218 519 A C 2.266 179.882 177.584 0.053 0.000 1.175 519 A CA 2.256 54.320 52.037 0.046 0.000 0.628 519 A CB -1.200 17.821 19.000 0.034 0.000 0.814 519 A HN 0.417 nan 8.150 nan 0.000 0.444 520 T N -1.040 113.561 114.554 0.079 0.000 2.867 520 T HA -0.155 4.195 4.350 0.000 0.000 0.268 520 T C 1.848 176.619 174.700 0.118 0.000 1.057 520 T CA 1.412 63.592 62.100 0.133 0.000 1.136 520 T CB -0.617 68.309 68.868 0.097 0.000 0.874 520 T HN 0.561 nan 8.240 nan 0.000 0.466 521 C N 1.380 120.710 119.300 0.050 0.000 2.425 521 C HA 0.063 4.523 4.460 0.000 0.000 0.277 521 C C 3.066 178.025 174.990 -0.052 0.000 1.280 521 C CA 0.504 59.486 59.018 -0.060 0.000 1.744 521 C CB -1.448 26.216 27.740 -0.125 0.000 1.989 521 C HN 0.728 nan 8.230 nan 0.000 0.491 522 G N 0.132 108.952 108.800 0.034 0.000 2.404 522 G HA2 -0.230 3.730 3.960 0.000 0.000 0.215 522 G HA3 -0.230 3.730 3.960 0.000 0.000 0.215 522 G C 1.614 176.549 174.900 0.058 0.000 1.174 522 G CA 1.033 46.200 45.100 0.112 0.000 0.780 522 G HN 0.617 nan 8.290 nan 0.000 0.537 523 K N -0.662 119.715 120.400 -0.039 0.000 1.985 523 K HA -0.123 4.197 4.320 0.000 0.000 0.210 523 K C 2.270 178.669 176.600 -0.336 0.000 1.047 523 K CA 1.388 57.561 56.287 -0.190 0.000 0.932 523 K CB -0.374 31.975 32.500 -0.252 0.000 0.716 523 K HN 0.375 nan 8.250 nan 0.000 0.439 524 Y N 1.207 121.317 120.300 -0.318 0.000 2.130 524 Y HA -0.108 4.443 4.550 0.000 0.000 0.287 524 Y C 2.221 177.856 175.900 -0.443 0.000 1.124 524 Y CA 1.250 58.968 58.100 -0.636 0.000 1.118 524 Y CB -0.434 37.319 38.460 -1.179 0.000 0.994 524 Y HN -0.021 nan 8.280 nan 0.000 0.497 525 L N -1.564 119.551 121.223 -0.180 0.000 2.187 525 L HA -0.216 4.124 4.340 0.000 0.000 0.213 525 L C 1.007 177.613 176.870 -0.440 0.000 1.100 525 L CA 1.510 56.204 54.840 -0.243 0.000 0.765 525 L CB -0.526 41.164 42.059 -0.614 0.000 0.904 525 L HN 0.228 nan 8.230 nan 0.000 0.437 526 F N -1.980 117.942 119.950 -0.047 0.000 2.683 526 F HA 0.161 4.688 4.527 0.000 0.000 0.306 526 F C 1.608 177.080 175.800 -0.546 0.000 1.102 526 F CA -0.375 57.380 58.000 -0.408 0.000 1.244 526 F CB -0.326 38.425 39.000 -0.416 0.000 1.029 526 F HN -0.073 nan 8.300 nan 0.000 0.545 527 N N 1.063 119.690 118.700 -0.121 0.000 2.588 527 N HA -0.190 4.550 4.740 0.000 0.000 0.190 527 N C 1.790 177.276 175.510 -0.040 0.000 1.094 527 N CA 1.445 54.435 53.050 -0.101 0.000 0.921 527 N CB -0.136 38.305 38.487 -0.077 0.000 0.959 527 N HN 0.534 nan 8.380 nan 0.000 0.448 528 W N -1.554 119.792 121.300 0.077 0.000 2.658 528 W HA 0.309 4.969 4.660 0.000 0.000 0.263 528 W C 1.181 177.748 176.519 0.079 0.000 1.274 528 W CA 0.483 57.875 57.345 0.078 0.000 1.343 528 W CB -0.696 28.823 29.460 0.099 0.000 1.106 528 W HN 0.052 nan 8.180 nan 0.000 0.615 529 A N 1.605 124.045 122.820 -0.633 0.000 2.218 529 A HA 0.217 4.537 4.320 0.000 0.000 0.209 529 A C 0.919 178.349 177.584 -0.256 0.000 1.168 529 A CA 0.699 52.412 52.037 -0.540 0.000 0.804 529 A CB -0.795 17.609 19.000 -0.993 0.000 0.834 529 A HN 0.090 nan 8.150 nan 0.000 0.482 530 V N -1.334 118.462 119.914 -0.196 0.000 2.406 530 V HA 0.356 4.476 4.120 0.000 0.000 0.272 530 V C 0.803 176.852 176.094 -0.074 0.000 1.043 530 V CA -0.880 61.342 62.300 -0.130 0.000 0.915 530 V CB 0.891 32.638 31.823 -0.127 0.000 0.988 530 V HN 0.358 nan 8.190 nan 0.000 0.466 531 K N 3.076 123.437 120.400 -0.064 0.000 2.032 531 K HA -0.136 4.184 4.320 0.000 0.000 0.218 531 K C 0.991 177.566 176.600 -0.040 0.000 1.054 531 K CA 1.973 58.236 56.287 -0.041 0.000 0.941 531 K CB -0.945 31.533 32.500 -0.036 0.000 0.720 531 K HN 0.752 nan 8.250 nan 0.000 0.449 532 T N 1.979 116.505 114.554 -0.048 0.000 2.853 532 T HA 0.263 4.613 4.350 0.000 0.000 0.317 532 T C -0.658 174.008 174.700 -0.057 0.000 1.059 532 T CA -0.654 61.418 62.100 -0.047 0.000 0.954 532 T CB 0.507 69.349 68.868 -0.043 0.000 0.994 532 T HN 0.025 nan 8.240 nan 0.000 0.479 533 K N 2.753 123.120 120.400 -0.055 0.000 2.350 533 K HA 0.377 4.697 4.320 0.000 0.000 0.279 533 K C 0.008 176.567 176.600 -0.068 0.000 1.027 533 K CA -0.615 55.635 56.287 -0.062 0.000 0.969 533 K CB 0.312 32.784 32.500 -0.046 0.000 0.954 533 K HN 0.405 nan 8.250 nan 0.000 0.474 534 L N -0.126 121.044 121.223 -0.089 0.000 2.307 534 L HA 0.427 4.767 4.340 0.000 0.000 0.282 534 L C -0.209 176.597 176.870 -0.107 0.000 1.051 534 L CA -0.562 54.221 54.840 -0.095 0.000 0.804 534 L CB 0.813 42.804 42.059 -0.114 0.000 1.197 534 L HN 0.247 nan 8.230 nan 0.000 0.431 535 K N 3.857 124.209 120.400 -0.080 0.000 2.447 535 K HA 0.253 4.573 4.320 0.000 0.000 0.281 535 K C -0.747 175.792 176.600 -0.101 0.000 1.031 535 K CA 0.171 56.420 56.287 -0.064 0.000 1.019 535 K CB 0.426 32.907 32.500 -0.032 0.000 0.918 535 K HN 0.652 nan 8.250 nan 0.000 0.476 536 L N 3.747 124.913 121.223 -0.094 0.000 2.265 536 L HA 0.174 4.514 4.340 0.000 0.000 0.288 536 L C 0.771 177.692 176.870 0.085 0.000 1.058 536 L CA -0.573 54.189 54.840 -0.129 0.000 0.809 536 L CB 0.945 42.906 42.059 -0.164 0.000 1.179 536 L HN 0.628 nan 8.230 nan 0.000 0.429 537 T N 0.559 115.194 114.554 0.135 0.000 2.907 537 T HA 0.375 4.725 4.350 0.000 0.000 0.284 537 T C -2.494 172.329 174.700 0.204 0.000 1.004 537 T CA -2.395 59.797 62.100 0.154 0.000 1.063 537 T CB 1.067 69.993 68.868 0.097 0.000 0.992 537 T HN 0.257 nan 8.240 nan 0.000 0.483 538 P HA -0.019 nan 4.420 nan 0.000 0.227 538 P C 0.054 177.382 177.300 0.046 0.000 1.036 538 P CA 0.248 63.402 63.100 0.090 0.000 1.080 538 P CB -0.616 31.120 31.700 0.060 0.000 1.046 539 I N 6.574 127.130 120.570 -0.023 0.000 3.136 539 I HA -0.140 4.030 4.170 0.000 0.000 0.298 539 I C -0.418 175.662 176.117 -0.063 0.000 1.232 539 I CA -0.574 60.644 61.300 -0.137 0.000 1.379 539 I CB 0.103 37.896 38.000 -0.346 0.000 1.411 539 I HN 0.333 nan 8.210 nan 0.000 0.532 540 P HA -0.259 nan 4.420 nan 0.000 0.216 540 P C 1.118 178.402 177.300 -0.026 0.000 1.154 540 P CA 1.647 64.739 63.100 -0.015 0.000 0.865 540 P CB 0.206 31.906 31.700 -0.000 0.000 0.789 541 A N -0.521 122.276 122.820 -0.037 0.000 2.255 541 A HA 0.293 4.613 4.320 0.000 0.000 0.206 541 A C 1.486 179.044 177.584 -0.044 0.000 1.193 541 A CA 0.618 52.635 52.037 -0.034 0.000 0.794 541 A CB -0.930 18.052 19.000 -0.030 0.000 0.794 541 A HN 0.265 nan 8.150 nan 0.000 0.481 542 A N 0.150 122.939 122.820 -0.052 0.000 2.937 542 A HA 0.679 4.999 4.320 0.000 0.000 0.338 542 A C 0.049 177.602 177.584 -0.051 0.000 1.273 542 A CA -0.145 51.858 52.037 -0.056 0.000 0.937 542 A CB -0.036 18.928 19.000 -0.061 0.000 1.133 542 A HN 0.237 nan 8.150 nan 0.000 0.491 548 S N 0.394 116.025 115.700 -0.114 0.000 2.359 548 S HA -0.135 4.335 4.470 0.000 0.000 0.224 548 S C 1.906 176.557 174.600 0.085 0.000 1.035 548 S CA 1.515 59.721 58.200 0.009 0.000 1.018 548 S CB -0.910 62.293 63.200 0.004 0.000 0.876 548 S HN 0.433 nan 8.310 nan 0.000 0.448 549 G N -0.124 108.724 108.800 0.081 0.000 2.516 549 G HA2 -0.160 3.800 3.960 0.000 0.000 0.221 549 G HA3 -0.160 3.800 3.960 0.000 0.000 0.221 549 G C 0.912 175.972 174.900 0.266 0.000 1.107 549 G CA 0.715 45.897 45.100 0.136 0.000 0.747 549 G HN 0.575 nan 8.290 nan 0.000 0.567 550 W N 0.097 121.301 121.300 -0.160 0.000 2.388 550 W HA 0.258 4.918 4.660 0.000 0.000 0.294 550 W C 0.593 176.657 176.519 -0.757 0.000 1.212 550 W CA 0.083 57.092 57.345 -0.561 0.000 1.271 550 W CB -0.443 28.442 29.460 -0.958 0.000 1.126 550 W HN 0.108 nan 8.180 nan 0.000 0.535 551 F N -0.674 119.450 119.950 0.289 0.000 2.531 551 F HA 0.288 4.815 4.527 0.000 0.000 0.333 551 F C 0.542 176.492 175.800 0.251 0.000 1.292 551 F CA -0.357 57.804 58.000 0.268 0.000 1.184 551 F CB 0.134 39.237 39.000 0.171 0.000 1.426 551 F HN -0.414 nan 8.300 nan 0.000 0.559 552 V N 0.010 120.148 119.914 0.374 0.000 2.950 552 V HA 0.557 4.677 4.120 0.000 0.000 0.231 552 V C 0.869 177.145 176.094 0.304 0.000 1.205 552 V CA 0.549 63.012 62.300 0.272 0.000 1.239 552 V CB 0.433 32.379 31.823 0.204 0.000 1.050 552 V HN 0.417 nan 8.190 nan 0.000 0.498 553 A N -0.531 122.419 122.820 0.217 0.000 2.564 553 A HA 0.820 5.140 4.320 0.000 0.000 0.288 553 A C -0.256 177.047 177.584 -0.468 0.000 1.164 553 A CA 0.034 52.063 52.037 -0.013 0.000 0.712 553 A CB 1.282 20.109 19.000 -0.288 0.000 1.303 553 A HN 0.444 nan 8.150 nan 0.000 0.418 554 G N -1.154 107.124 108.800 -0.870 0.000 2.343 554 G HA2 0.546 4.506 3.960 0.000 0.000 0.319 554 G HA3 0.546 4.506 3.960 0.000 0.000 0.319 554 G C -0.970 173.316 174.900 -1.023 0.000 1.126 554 G CA -0.083 44.197 45.100 -1.366 0.000 0.889 554 G HN 0.564 nan 8.290 nan 0.000 0.457 555 Y N 1.504 121.640 120.300 -0.273 0.000 2.715 555 Y HA 0.287 4.837 4.550 0.000 0.000 0.255 555 Y C 1.392 177.232 175.900 -0.101 0.000 1.139 555 Y CA -0.658 57.365 58.100 -0.127 0.000 1.151 555 Y CB 0.965 39.394 38.460 -0.052 0.000 1.201 555 Y HN 0.507 nan 8.280 nan 0.000 0.556 556 S N 0.917 116.594 115.700 -0.039 0.000 2.506 556 S HA 0.358 4.828 4.470 0.000 0.000 0.291 556 S C 1.298 175.919 174.600 0.034 0.000 1.230 556 S CA 1.306 59.508 58.200 0.004 0.000 1.107 556 S CB -0.078 63.115 63.200 -0.011 0.000 0.942 556 S HN 0.965 nan 8.310 nan 0.000 0.502 557 G N 3.549 112.373 108.800 0.041 0.000 2.258 557 G HA2 -0.178 3.782 3.960 0.000 0.000 0.233 557 G HA3 -0.178 3.782 3.960 0.000 0.000 0.233 557 G C 0.618 175.557 174.900 0.065 0.000 1.006 557 G CA 0.039 45.170 45.100 0.052 0.000 0.620 557 G HN 1.239 nan 8.290 nan 0.000 0.511 558 G N -0.170 108.680 108.800 0.083 0.000 2.653 558 G HA2 0.436 4.396 3.960 0.000 0.000 0.265 558 G HA3 0.436 4.396 3.960 0.000 0.000 0.265 558 G C -0.229 174.694 174.900 0.037 0.000 1.237 558 G CA 0.649 45.810 45.100 0.102 0.000 0.946 558 G HN 0.570 nan 8.290 nan 0.000 0.522 559 D N -0.763 119.641 120.400 0.007 0.000 2.607 559 D HA 0.261 4.901 4.640 0.000 0.000 0.318 559 D C -0.495 175.740 176.300 -0.108 0.000 1.212 559 D CA -0.524 53.449 54.000 -0.045 0.000 0.861 559 D CB -0.147 40.641 40.800 -0.020 0.000 1.064 559 D HN -0.020 nan 8.370 nan 0.000 0.500 560 I N 2.536 122.998 120.570 -0.180 0.000 2.336 560 I HA 0.354 4.524 4.170 0.000 0.000 0.292 560 I C -0.491 175.370 176.117 -0.427 0.000 0.991 560 I CA -1.278 59.796 61.300 -0.377 0.000 1.227 560 I CB 0.515 38.140 38.000 -0.625 0.000 1.366 560 I HN 0.202 nan 8.210 nan 0.000 0.466 561 Y N 5.994 125.934 120.300 -0.599 0.000 2.562 561 Y HA 0.644 5.194 4.550 0.000 0.000 0.343 561 Y C -0.514 174.976 175.900 -0.683 0.000 1.025 561 Y CA -0.220 57.556 58.100 -0.540 0.000 1.082 561 Y CB 1.360 39.651 38.460 -0.282 0.000 1.264 561 Y HN 0.574 nan 8.280 nan 0.000 0.478 562 H N 0.000 118.405 119.070 -1.108 0.000 2.539 562 H HA 0.000 4.556 4.556 0.000 0.000 0.296 562 H CA 0.000 55.592 56.048 -0.760 0.000 1.023 562 H CB 0.000 29.304 29.762 -0.763 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496