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 2dew_1_X DATA FIRST_RESID 3 DATA SEQUENCE QGTLIRVTPE QPTHAVCVLG TLTQLDICSS APXXCTSFSI NASPGVVVDI DATA SEQUENCE XXXXXXXXXX XXXXTWPLDP GVEVTLTMKA ASGSTGDQKV QISYYGPKTP DATA SEQUENCE PVKALLYLTA VEISLCADIT RTGKXXXXXX XXXQRTWTWG PCGQGAILLV DATA SEQUENCE NCDRDNLESS AMDCEDDEVL DSEDLQDMSL MTLSTKTPKD FFTNHTLVLH DATA SEQUENCE VARSEMDKVR VFQATXXXXX XXCSVVLGPK WPSHYLMVPG GKHNMDFYVE DATA SEQUENCE ALAFPDTDFP GLITLTISLL DTSNLELPEA VVFQDSVVFR VAPWIMTPNT DATA SEQUENCE QPPQEVYACS IFENEDFLKS VTTLAMKAKC KLTICPEEEN MDDQWMQDEM DATA SEQUENCE EIGYIQAPHK TLPVVFDSPR NRGLKEFPIK RVMGPDFGYV TRGPQTGGIS DATA SEQUENCE GLDSFGNLEV SPPVTVRGKE YPLGRILFGD SCYPSNDSRQ MHQALQDFLS DATA SEQUENCE AQQVQAPVKL YSDWLSVGHV DEFLSFVPAP DRKGFRLLLA SPRSCYKLFQ DATA SEQUENCE EQQNEGHGEA LLFEGIKKKK QQKIKNILSN KTLREHNSFV ERCIDWNREL DATA SEQUENCE LKRELGLAES DIIDIPQLFK LKEFSKAEAF FPNMVNMLVL GKHLGIPKPF DATA SEQUENCE GPVINGRCCL EEKVCSLLEP LGLQCTFIND FFTYHIRHGE VHAGTNVRRK DATA SEQUENCE PFSFKWWNMV P 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.040 176.000 0.066 0.000 1.003 3 Q CA 0.000 55.832 55.803 0.049 0.000 1.022 3 Q CB 0.000 28.785 28.738 0.078 0.000 1.108 4 G N 0.542 109.369 108.800 0.044 0.000 2.377 4 G HA2 0.645 4.605 3.960 -0.000 0.000 0.299 4 G HA3 0.645 4.605 3.960 -0.000 0.000 0.299 4 G C -0.864 174.063 174.900 0.045 0.000 1.150 4 G CA -0.197 44.926 45.100 0.038 0.000 0.847 4 G HN 0.138 nan 8.290 nan 0.000 0.501 5 T N 1.273 115.851 114.554 0.041 0.000 2.881 5 T HA 0.404 4.754 4.350 -0.000 0.000 0.290 5 T C -1.022 173.691 174.700 0.021 0.000 1.000 5 T CA -0.376 61.748 62.100 0.040 0.000 0.978 5 T CB 1.727 70.629 68.868 0.057 0.000 0.997 5 T HN 0.391 nan 8.240 nan 0.000 0.443 6 L N 4.572 125.806 121.223 0.018 0.000 2.318 6 L HA 0.623 4.963 4.340 -0.000 0.000 0.277 6 L C -1.065 175.809 176.870 0.006 0.000 1.008 6 L CA -0.500 54.342 54.840 0.004 0.000 0.846 6 L CB 0.342 42.401 42.059 0.000 0.000 1.220 6 L HN 0.640 nan 8.230 nan 0.000 0.423 7 I N 4.527 125.097 120.570 -0.001 0.000 2.342 7 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 7 I C 0.087 176.200 176.117 -0.008 0.000 1.010 7 I CA -0.705 60.597 61.300 0.003 0.000 1.308 7 I CB 1.017 39.018 38.000 0.002 0.000 1.400 7 I HN 0.512 nan 8.210 nan 0.000 0.488 8 R N 5.334 125.836 120.500 0.003 0.000 2.202 8 R HA 0.329 4.669 4.340 -0.000 0.000 0.334 8 R C -0.812 175.491 176.300 0.006 0.000 1.036 8 R CA -0.365 55.735 56.100 -0.000 0.000 0.878 8 R CB 0.863 31.166 30.300 0.005 0.000 1.067 8 R HN 0.498 nan 8.270 nan 0.000 0.457 9 V N 0.580 120.496 119.914 0.003 0.000 2.539 9 V HA 0.821 4.941 4.120 -0.000 0.000 0.292 9 V C -0.154 175.976 176.094 0.059 0.000 1.045 9 V CA -0.567 61.746 62.300 0.022 0.000 0.945 9 V CB 1.793 33.615 31.823 -0.001 0.000 0.993 9 V HN 0.832 nan 8.190 nan 0.000 0.464 10 T N 1.639 116.232 114.554 0.066 0.000 2.921 10 T HA 0.564 4.914 4.350 -0.000 0.000 0.297 10 T C -2.069 172.679 174.700 0.081 0.000 1.013 10 T CA -1.427 60.706 62.100 0.056 0.000 0.990 10 T CB 1.998 70.883 68.868 0.029 0.000 1.023 10 T HN 0.513 nan 8.240 nan 0.000 0.447 11 P HA 0.031 nan 4.420 nan 0.000 0.229 11 P C 1.198 178.529 177.300 0.052 0.000 1.160 11 P CA 0.545 63.700 63.100 0.092 0.000 0.777 11 P CB 0.365 32.102 31.700 0.062 0.000 0.814 12 E N 0.400 120.617 120.200 0.028 0.000 2.110 12 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 12 E C 0.808 177.435 176.600 0.045 0.000 0.988 12 E CA 1.183 57.599 56.400 0.028 0.000 0.804 12 E CB 0.117 29.827 29.700 0.016 0.000 0.745 12 E HN 0.591 nan 8.360 nan 0.000 0.458 13 Q N -0.891 118.943 119.800 0.056 0.000 2.472 13 Q HA 0.421 4.761 4.340 -0.000 0.000 0.281 13 Q C -2.810 173.242 176.000 0.087 0.000 0.997 13 Q CA -1.950 53.899 55.803 0.076 0.000 0.828 13 Q CB 1.648 30.432 28.738 0.076 0.000 1.443 13 Q HN -0.217 nan 8.270 nan 0.000 0.390 14 P HA 0.023 nan 4.420 nan 0.000 0.268 14 P C -0.673 176.685 177.300 0.097 0.000 1.205 14 P CA 0.134 63.294 63.100 0.099 0.000 0.771 14 P CB 0.673 32.501 31.700 0.212 0.000 0.858 15 T N 2.787 117.350 114.554 0.016 0.000 2.875 15 T HA 0.363 4.713 4.350 -0.000 0.000 0.284 15 T C -0.359 174.305 174.700 -0.059 0.000 0.995 15 T CA -0.221 61.909 62.100 0.050 0.000 1.060 15 T CB 0.250 69.136 68.868 0.030 0.000 0.967 15 T HN 0.396 nan 8.240 nan 0.000 0.476 16 H N 0.283 119.429 119.070 0.126 0.000 2.538 16 H HA 0.734 5.289 4.556 -0.000 0.000 0.353 16 H C -0.344 175.047 175.328 0.104 0.000 1.109 16 H CA -0.458 55.672 56.048 0.136 0.000 1.192 16 H CB 1.581 31.403 29.762 0.100 0.000 1.555 16 H HN 0.893 nan 8.280 nan 0.000 0.518 17 A N 2.115 125.054 122.820 0.198 0.000 2.604 17 A HA 0.591 4.910 4.320 -0.000 0.000 0.295 17 A C -1.394 176.268 177.584 0.130 0.000 1.067 17 A CA -0.666 51.460 52.037 0.147 0.000 0.683 17 A CB 1.070 20.127 19.000 0.094 0.000 1.281 17 A HN 0.447 nan 8.150 nan 0.000 0.407 18 V N 0.066 120.055 119.914 0.125 0.000 2.539 18 V HA 0.460 4.580 4.120 -0.000 0.000 0.292 18 V C -0.276 175.833 176.094 0.024 0.000 1.045 18 V CA -0.436 61.910 62.300 0.076 0.000 0.945 18 V CB 1.197 33.077 31.823 0.094 0.000 0.993 18 V HN 0.943 nan 8.190 nan 0.000 0.464 19 C N 4.451 123.730 119.300 -0.036 0.000 2.322 19 C HA 0.536 4.995 4.460 -0.000 0.000 0.324 19 C C 0.153 175.058 174.990 -0.142 0.000 1.249 19 C CA -0.857 58.124 59.018 -0.061 0.000 1.453 19 C CB 0.875 28.585 27.740 -0.050 0.000 2.145 19 C HN 0.649 nan 8.230 nan 0.000 0.466 20 V N 5.530 125.329 119.914 -0.191 0.000 2.488 20 V HA 0.187 4.306 4.120 -0.000 0.000 0.277 20 V C 0.492 176.453 176.094 -0.222 0.000 1.046 20 V CA -0.207 61.886 62.300 -0.346 0.000 0.986 20 V CB 0.702 32.052 31.823 -0.790 0.000 0.989 20 V HN 0.694 nan 8.190 nan 0.000 0.475 21 L N 4.633 125.738 121.223 -0.196 0.000 2.525 21 L HA 0.308 4.648 4.340 -0.000 0.000 0.278 21 L C 1.479 178.300 176.870 -0.083 0.000 1.218 21 L CA 1.206 55.975 54.840 -0.119 0.000 0.878 21 L CB -0.118 41.876 42.059 -0.109 0.000 1.127 21 L HN 1.024 nan 8.230 nan 0.000 0.492 22 G N 1.261 110.037 108.800 -0.039 0.000 2.175 22 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 22 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 22 G C 0.243 175.163 174.900 0.033 0.000 0.982 22 G CA 0.213 45.312 45.100 -0.002 0.000 0.641 22 G HN 0.802 nan 8.290 nan 0.000 0.527 23 T N -1.821 112.751 114.554 0.031 0.000 2.948 23 T HA 0.745 5.095 4.350 -0.000 0.000 0.285 23 T C -0.070 174.650 174.700 0.034 0.000 1.019 23 T CA -0.672 61.469 62.100 0.068 0.000 1.013 23 T CB 2.510 71.448 68.868 0.118 0.000 1.117 23 T HN 0.997 nan 8.240 nan 0.000 0.533 24 L N 1.893 123.139 121.223 0.038 0.000 2.265 24 L HA 0.538 4.878 4.340 -0.000 0.000 0.288 24 L C -0.365 176.516 176.870 0.017 0.000 1.058 24 L CA 0.180 55.031 54.840 0.018 0.000 0.809 24 L CB 0.880 42.949 42.059 0.016 0.000 1.179 24 L HN 0.926 nan 8.230 nan 0.000 0.429 25 T N 4.595 119.150 114.554 0.002 0.000 2.792 25 T HA 0.585 4.935 4.350 -0.000 0.000 0.280 25 T C -0.480 174.210 174.700 -0.017 0.000 0.990 25 T CA -0.528 61.571 62.100 -0.002 0.000 0.960 25 T CB 1.374 70.238 68.868 -0.007 0.000 0.939 25 T HN 0.623 nan 8.240 nan 0.000 0.439 26 Q N 1.448 121.237 119.800 -0.018 0.000 2.445 26 Q HA 0.718 5.058 4.340 -0.000 0.000 0.281 26 Q C -1.420 174.555 176.000 -0.042 0.000 1.101 26 Q CA -1.109 54.673 55.803 -0.035 0.000 0.833 26 Q CB 2.097 30.816 28.738 -0.032 0.000 1.416 26 Q HN 0.333 nan 8.270 nan 0.000 0.451 27 L N 1.252 122.437 121.223 -0.065 0.000 2.333 27 L HA 0.295 4.635 4.340 -0.000 0.000 0.280 27 L C -1.044 175.772 176.870 -0.089 0.000 1.004 27 L CA -0.287 54.506 54.840 -0.079 0.000 0.820 27 L CB 1.728 43.720 42.059 -0.112 0.000 1.247 27 L HN 0.503 nan 8.230 nan 0.000 0.416 28 D N 4.045 124.404 120.400 -0.068 0.000 2.393 28 D HA 0.208 4.848 4.640 -0.000 0.000 0.232 28 D C 0.837 177.088 176.300 -0.080 0.000 1.192 28 D CA 0.194 54.154 54.000 -0.067 0.000 0.882 28 D CB 0.793 41.571 40.800 -0.037 0.000 1.038 28 D HN 0.460 nan 8.370 nan 0.000 0.499 29 I N 2.027 122.513 120.570 -0.141 0.000 3.462 29 I HA -0.071 4.099 4.170 -0.000 0.000 0.290 29 I C 2.076 178.167 176.117 -0.043 0.000 1.236 29 I CA 0.070 61.275 61.300 -0.158 0.000 1.418 29 I CB 0.439 38.124 38.000 -0.524 0.000 1.102 29 I HN 0.421 nan 8.210 nan 0.000 0.441 30 C N -0.430 118.828 119.300 -0.070 0.000 2.538 30 C HA -0.012 4.447 4.460 -0.000 0.000 0.281 30 C C 3.042 178.003 174.990 -0.048 0.000 1.320 30 C CA 0.517 59.510 59.018 -0.042 0.000 1.714 30 C CB -0.460 27.261 27.740 -0.031 0.000 2.095 30 C HN 0.416 nan 8.230 nan 0.000 0.497 31 S N 1.393 117.069 115.700 -0.040 0.000 2.406 31 S HA -0.211 4.259 4.470 -0.000 0.000 0.242 31 S C 1.467 176.035 174.600 -0.053 0.000 1.079 31 S CA 2.263 60.440 58.200 -0.037 0.000 1.133 31 S CB -0.331 62.853 63.200 -0.027 0.000 1.005 31 S HN 0.689 nan 8.310 nan 0.000 0.443 32 S N 0.534 116.195 115.700 -0.066 0.000 2.624 32 S HA 0.609 5.079 4.470 -0.000 0.000 0.246 32 S C 0.088 174.570 174.600 -0.196 0.000 1.072 32 S CA -0.239 57.906 58.200 -0.092 0.000 1.045 32 S CB 0.658 63.825 63.200 -0.053 0.000 0.851 32 S HN 0.580 nan 8.310 nan 0.000 0.480 33 A N 2.882 125.544 122.820 -0.263 0.000 2.346 33 A HA 0.648 4.968 4.320 -0.000 0.000 0.252 33 A C -1.940 175.407 177.584 -0.394 0.000 1.089 33 A CA -0.975 50.728 52.037 -0.557 0.000 0.797 33 A CB -0.465 18.299 19.000 -0.394 0.000 1.047 33 A HN 0.246 nan 8.150 nan 0.000 0.494 38 T N -0.344 114.200 114.554 -0.017 0.000 3.038 38 T HA 0.179 4.529 4.350 -0.000 0.000 0.244 38 T C 0.646 175.316 174.700 -0.049 0.000 1.016 38 T CA 0.365 62.452 62.100 -0.022 0.000 1.098 38 T CB 0.196 69.047 68.868 -0.028 0.000 0.954 38 T HN 0.625 nan 8.240 nan 0.000 0.469 39 S N 1.202 116.762 115.700 -0.233 0.000 2.715 39 S HA 0.842 5.312 4.470 -0.000 0.000 0.307 39 S C -1.248 173.145 174.600 -0.345 0.000 1.119 39 S CA -0.937 57.025 58.200 -0.397 0.000 0.937 39 S CB 1.493 64.212 63.200 -0.801 0.000 1.150 39 S HN 0.484 nan 8.310 nan 0.000 0.521 40 F N -1.281 118.499 119.950 -0.284 0.000 2.641 40 F HA 0.854 5.380 4.527 -0.001 0.000 0.308 40 F C -0.828 175.077 175.800 0.175 0.000 1.105 40 F CA -0.695 57.252 58.000 -0.089 0.000 0.964 40 F CB 1.002 39.952 39.000 -0.084 0.000 1.294 40 F HN 0.402 nan 8.300 nan 0.000 0.442 41 S N 2.436 118.356 115.700 0.367 0.000 2.600 41 S HA 0.793 5.263 4.470 -0.000 0.000 0.300 41 S C -0.934 173.846 174.600 0.299 0.000 1.087 41 S CA -0.795 57.591 58.200 0.310 0.000 0.965 41 S CB 1.766 65.116 63.200 0.251 0.000 1.089 41 S HN 0.599 nan 8.310 nan 0.000 0.496 42 I N 2.479 123.208 120.570 0.266 0.000 2.498 42 I HA 0.450 4.620 4.170 -0.000 0.000 0.290 42 I C -0.835 175.339 176.117 0.095 0.000 1.032 42 I CA -0.678 60.711 61.300 0.148 0.000 1.073 42 I CB 1.997 40.070 38.000 0.121 0.000 1.251 42 I HN 0.428 nan 8.210 nan 0.000 0.426 43 N N 4.501 123.223 118.700 0.036 0.000 2.346 43 N HA 0.763 5.503 4.740 -0.000 0.000 0.289 43 N C -1.409 174.091 175.510 -0.016 0.000 1.027 43 N CA -0.276 52.783 53.050 0.016 0.000 0.864 43 N CB 2.216 40.707 38.487 0.008 0.000 1.370 43 N HN 0.769 nan 8.380 nan 0.000 0.481 44 A N 1.368 124.179 122.820 -0.015 0.000 2.430 44 A HA 0.737 5.057 4.320 -0.000 0.000 0.300 44 A C -0.215 177.354 177.584 -0.025 0.000 1.124 44 A CA -0.611 51.407 52.037 -0.032 0.000 0.766 44 A CB 0.605 19.587 19.000 -0.030 0.000 1.328 44 A HN 0.704 nan 8.150 nan 0.000 0.424 45 S N 0.466 116.148 115.700 -0.030 0.000 2.614 45 S HA 0.399 4.869 4.470 -0.000 0.000 0.265 45 S C -2.030 172.562 174.600 -0.014 0.000 1.303 45 S CA -0.737 57.452 58.200 -0.019 0.000 1.000 45 S CB 0.284 63.475 63.200 -0.016 0.000 0.935 45 S HN 0.420 nan 8.310 nan 0.000 0.551 46 P HA 0.083 nan 4.420 nan 0.000 0.222 46 P C 1.370 178.663 177.300 -0.012 0.000 1.147 46 P CA 1.093 64.188 63.100 -0.008 0.000 0.790 46 P CB -0.418 31.279 31.700 -0.006 0.000 0.780 47 G N -0.871 107.920 108.800 -0.014 0.000 2.744 47 G HA2 0.051 4.011 3.960 -0.000 0.000 0.211 47 G HA3 0.051 4.011 3.960 -0.000 0.000 0.211 47 G C 0.204 175.090 174.900 -0.023 0.000 1.143 47 G CA 0.130 45.218 45.100 -0.019 0.000 0.788 47 G HN 0.186 nan 8.290 nan 0.000 0.534 48 V N 1.163 121.063 119.914 -0.022 0.000 2.417 48 V HA 0.382 4.502 4.120 -0.000 0.000 0.291 48 V C -0.384 175.696 176.094 -0.022 0.000 1.024 48 V CA -0.823 61.462 62.300 -0.026 0.000 0.861 48 V CB 1.923 33.727 31.823 -0.032 0.000 0.985 48 V HN -0.063 nan 8.190 nan 0.000 0.436 49 V N 5.680 125.579 119.914 -0.024 0.000 2.350 49 V HA 0.370 4.490 4.120 -0.000 0.000 0.276 49 V C -0.001 176.077 176.094 -0.027 0.000 1.028 49 V CA -0.593 61.696 62.300 -0.020 0.000 0.860 49 V CB 1.544 33.357 31.823 -0.017 0.000 0.990 49 V HN 0.605 nan 8.190 nan 0.000 0.453 50 V N 4.938 124.836 119.914 -0.027 0.000 2.364 50 V HA 0.378 4.498 4.120 -0.000 0.000 0.272 50 V C -0.112 175.948 176.094 -0.056 0.000 1.036 50 V CA -0.465 61.806 62.300 -0.048 0.000 0.880 50 V CB 1.204 32.998 31.823 -0.048 0.000 0.991 50 V HN 0.827 nan 8.190 nan 0.000 0.460 51 D N 5.022 125.378 120.400 -0.073 0.000 2.198 51 D HA 0.747 5.387 4.640 -0.000 0.000 0.247 51 D C -0.205 176.008 176.300 -0.146 0.000 1.010 51 D CA -0.144 53.810 54.000 -0.077 0.000 0.880 51 D CB 3.226 43.997 40.800 -0.048 0.000 1.209 51 D HN 0.498 nan 8.370 nan 0.000 0.451 68 W N 1.483 122.466 121.300 -0.527 0.000 2.820 68 W HA 0.566 5.226 4.660 -0.001 0.000 0.350 68 W C -2.493 173.719 176.519 -0.511 0.000 1.116 68 W CA -2.156 54.867 57.345 -0.536 0.000 1.146 68 W CB 1.963 31.030 29.460 -0.654 0.000 1.433 68 W HN 0.583 nan 8.180 nan 0.000 0.561 69 P HA 0.177 nan 4.420 nan 0.000 0.281 69 P C -0.478 176.981 177.300 0.265 0.000 1.249 69 P CA -0.350 62.785 63.100 0.058 0.000 0.810 69 P CB 1.539 33.278 31.700 0.065 0.000 1.008 70 L N 2.195 123.579 121.223 0.268 0.000 2.391 70 L HA 0.175 4.515 4.340 -0.000 0.000 0.249 70 L C -0.001 176.978 176.870 0.181 0.000 1.308 70 L CA 0.091 55.128 54.840 0.328 0.000 1.209 70 L CB -1.144 41.060 42.059 0.242 0.000 1.401 70 L HN 0.292 nan 8.230 nan 0.000 0.416 71 D N 2.322 122.838 120.400 0.194 0.000 2.391 71 D HA 0.310 4.949 4.640 -0.000 0.000 0.245 71 D C -1.782 174.572 176.300 0.090 0.000 1.069 71 D CA -2.388 51.681 54.000 0.115 0.000 0.831 71 D CB 2.124 42.989 40.800 0.109 0.000 1.204 71 D HN 0.013 nan 8.370 nan 0.000 0.503 72 P HA -0.068 nan 4.420 nan 0.000 0.217 72 P C 1.277 178.588 177.300 0.020 0.000 1.151 72 P CA 1.495 64.607 63.100 0.021 0.000 0.849 72 P CB 0.182 31.890 31.700 0.013 0.000 0.787 73 G N -0.831 107.988 108.800 0.033 0.000 2.679 73 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.212 73 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.212 73 G C 0.386 175.305 174.900 0.032 0.000 1.137 73 G CA -0.138 44.979 45.100 0.027 0.000 0.787 73 G HN 0.330 nan 8.290 nan 0.000 0.534 74 V N 1.928 121.875 119.914 0.055 0.000 2.450 74 V HA 0.124 4.244 4.120 -0.000 0.000 0.281 74 V C -0.330 175.760 176.094 -0.007 0.000 1.019 74 V CA -0.432 61.901 62.300 0.055 0.000 1.062 74 V CB 0.530 32.452 31.823 0.164 0.000 0.979 74 V HN 0.226 nan 8.190 nan 0.000 0.477 75 E N 5.523 125.701 120.200 -0.037 0.000 2.229 75 E HA 0.331 4.680 4.350 -0.000 0.000 0.283 75 E C -0.781 175.755 176.600 -0.107 0.000 1.030 75 E CA -0.210 56.154 56.400 -0.059 0.000 0.836 75 E CB 1.845 31.519 29.700 -0.044 0.000 1.068 75 E HN 0.487 nan 8.360 nan 0.000 0.401 76 V N 3.095 122.944 119.914 -0.109 0.000 2.409 76 V HA 0.259 4.379 4.120 -0.000 0.000 0.290 76 V C 0.166 176.200 176.094 -0.099 0.000 1.017 76 V CA -0.631 61.588 62.300 -0.135 0.000 0.841 76 V CB 1.784 33.517 31.823 -0.149 0.000 1.003 76 V HN 0.636 nan 8.190 nan 0.000 0.426 77 T N 6.465 120.965 114.554 -0.090 0.000 2.829 77 T HA 0.753 5.103 4.350 -0.000 0.000 0.280 77 T C -0.902 173.763 174.700 -0.058 0.000 0.999 77 T CA -0.403 61.659 62.100 -0.062 0.000 0.983 77 T CB 0.914 69.754 68.868 -0.047 0.000 0.968 77 T HN 0.423 nan 8.240 nan 0.000 0.446 78 L N 3.845 125.040 121.223 -0.047 0.000 2.329 78 L HA 0.701 5.041 4.340 -0.000 0.000 0.279 78 L C 0.288 177.137 176.870 -0.034 0.000 1.014 78 L CA -0.945 53.869 54.840 -0.043 0.000 0.814 78 L CB 2.103 44.136 42.059 -0.043 0.000 1.257 78 L HN 0.756 nan 8.230 nan 0.000 0.424 79 T N 2.947 117.481 114.554 -0.033 0.000 2.916 79 T HA 0.664 5.014 4.350 -0.000 0.000 0.298 79 T C -0.755 173.925 174.700 -0.033 0.000 1.031 79 T CA -0.618 61.464 62.100 -0.031 0.000 0.993 79 T CB 1.312 70.164 68.868 -0.026 0.000 1.045 79 T HN 0.480 nan 8.240 nan 0.000 0.454 80 M N 3.885 123.462 119.600 -0.038 0.000 2.436 80 M HA 0.471 4.951 4.480 -0.000 0.000 0.331 80 M C 0.991 177.266 176.300 -0.042 0.000 1.135 80 M CA -0.858 54.418 55.300 -0.041 0.000 0.987 80 M CB 2.364 34.934 32.600 -0.050 0.000 1.687 80 M HN 0.652 nan 8.290 nan 0.000 0.445 81 K N 0.919 121.297 120.400 -0.038 0.000 2.137 81 K HA 0.299 4.619 4.320 -0.000 0.000 0.202 81 K C 0.375 176.950 176.600 -0.042 0.000 1.052 81 K CA 0.546 56.812 56.287 -0.035 0.000 0.961 81 K CB 0.331 32.815 32.500 -0.027 0.000 0.741 81 K HN 0.716 nan 8.250 nan 0.000 0.452 82 A N 0.522 123.313 122.820 -0.048 0.000 2.594 82 A HA 0.678 4.998 4.320 -0.000 0.000 0.291 82 A C -1.376 176.163 177.584 -0.075 0.000 1.105 82 A CA -0.775 51.228 52.037 -0.056 0.000 0.694 82 A CB 1.083 20.056 19.000 -0.044 0.000 1.291 82 A HN 0.115 nan 8.150 nan 0.000 0.410 83 A N 0.590 123.356 122.820 -0.090 0.000 2.520 83 A HA 0.525 4.845 4.320 -0.000 0.000 0.235 83 A C 0.707 178.229 177.584 -0.103 0.000 1.065 83 A CA 0.420 52.383 52.037 -0.123 0.000 0.764 83 A CB -0.310 18.608 19.000 -0.136 0.000 1.002 83 A HN 1.134 nan 8.150 nan 0.000 0.502 84 S N 0.703 116.329 115.700 -0.124 0.000 2.565 84 S HA 0.373 4.843 4.470 -0.000 0.000 0.276 84 S C 1.596 176.152 174.600 -0.074 0.000 1.326 84 S CA 0.120 58.269 58.200 -0.084 0.000 1.045 84 S CB 1.356 64.509 63.200 -0.078 0.000 0.918 84 S HN 0.988 nan 8.310 nan 0.000 0.505 85 G N 1.649 110.425 108.800 -0.040 0.000 2.453 85 G HA2 0.145 4.104 3.960 -0.000 0.000 0.215 85 G HA3 0.145 4.104 3.960 -0.000 0.000 0.215 85 G C 0.157 175.049 174.900 -0.013 0.000 1.147 85 G CA 0.070 45.155 45.100 -0.025 0.000 0.802 85 G HN 0.589 nan 8.290 nan 0.000 0.535 86 S N -0.940 114.758 115.700 -0.003 0.000 2.595 86 S HA 0.478 4.948 4.470 -0.000 0.000 0.281 86 S C -0.498 174.120 174.600 0.029 0.000 1.117 86 S CA -0.599 57.609 58.200 0.014 0.000 0.873 86 S CB 1.751 64.962 63.200 0.018 0.000 1.108 86 S HN 0.095 nan 8.310 nan 0.000 0.477 87 T N 2.179 116.762 114.554 0.050 0.000 2.866 87 T HA 0.348 4.698 4.350 -0.000 0.000 0.293 87 T C 1.359 176.107 174.700 0.081 0.000 1.005 87 T CA 1.415 63.562 62.100 0.079 0.000 1.162 87 T CB -0.199 68.714 68.868 0.075 0.000 0.968 87 T HN 1.266 nan 8.240 nan 0.000 0.530 88 G N 3.830 112.701 108.800 0.118 0.000 2.179 88 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 88 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 88 G C 0.655 175.656 174.900 0.168 0.000 1.010 88 G CA 0.451 45.657 45.100 0.176 0.000 0.736 88 G HN 0.946 nan 8.290 nan 0.000 0.513 89 D N -0.721 119.736 120.400 0.095 0.000 2.378 89 D HA 0.044 4.683 4.640 -0.000 0.000 0.227 89 D C 0.788 177.124 176.300 0.061 0.000 1.012 89 D CA 0.905 54.948 54.000 0.073 0.000 0.905 89 D CB 0.193 41.014 40.800 0.035 0.000 0.895 89 D HN 0.395 nan 8.370 nan 0.000 0.532 90 Q N 0.240 120.076 119.800 0.061 0.000 2.345 90 Q HA 0.425 4.765 4.340 -0.000 0.000 0.268 90 Q C -0.136 175.875 176.000 0.018 0.000 1.054 90 Q CA -0.631 55.187 55.803 0.026 0.000 0.835 90 Q CB 2.839 31.577 28.738 -0.000 0.000 1.339 90 Q HN 0.388 nan 8.270 nan 0.000 0.447 91 K N -0.943 119.430 120.400 -0.045 0.000 2.508 91 K HA 0.719 5.039 4.320 -0.000 0.000 0.260 91 K C -1.374 175.136 176.600 -0.149 0.000 0.949 91 K CA -0.745 55.446 56.287 -0.160 0.000 0.834 91 K CB 1.649 33.974 32.500 -0.292 0.000 1.365 91 K HN 0.275 nan 8.250 nan 0.000 0.437 92 V N 1.608 121.405 119.914 -0.195 0.000 2.656 92 V HA 0.374 4.494 4.120 -0.000 0.000 0.307 92 V C -0.967 175.025 176.094 -0.170 0.000 1.051 92 V CA -0.750 61.465 62.300 -0.143 0.000 0.893 92 V CB 1.552 33.308 31.823 -0.113 0.000 0.999 92 V HN 0.861 nan 8.190 nan 0.000 0.426 93 Q N 3.753 123.482 119.800 -0.119 0.000 2.309 93 Q HA 0.629 4.969 4.340 -0.000 0.000 0.270 93 Q C -1.846 174.103 176.000 -0.085 0.000 1.023 93 Q CA -0.654 55.085 55.803 -0.107 0.000 0.758 93 Q CB 1.714 30.403 28.738 -0.082 0.000 1.247 93 Q HN 0.726 nan 8.270 nan 0.000 0.455 94 I N 3.324 123.816 120.570 -0.129 0.000 2.312 94 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 94 I C -0.213 175.750 176.117 -0.257 0.000 1.008 94 I CA -0.198 60.976 61.300 -0.211 0.000 1.226 94 I CB 1.750 39.524 38.000 -0.377 0.000 1.371 94 I HN 0.524 nan 8.210 nan 0.000 0.468 95 S N 5.714 121.351 115.700 -0.106 0.000 2.420 95 S HA 0.560 5.030 4.470 -0.000 0.000 0.313 95 S C -0.705 173.949 174.600 0.089 0.000 1.079 95 S CA -0.711 57.498 58.200 0.015 0.000 1.104 95 S CB 0.002 63.262 63.200 0.100 0.000 0.969 95 S HN 0.328 nan 8.310 nan 0.000 0.471 96 Y N 3.129 123.559 120.300 0.218 0.000 2.304 96 Y HA 0.515 5.065 4.550 -0.000 0.000 0.328 96 Y C 0.209 176.251 175.900 0.237 0.000 1.123 96 Y CA -0.581 57.626 58.100 0.179 0.000 1.218 96 Y CB 0.509 39.023 38.460 0.090 0.000 1.207 96 Y HN 0.831 nan 8.280 nan 0.000 0.495 97 Y N -0.478 119.963 120.300 0.234 0.000 2.638 97 Y HA 0.949 5.499 4.550 -0.000 0.000 0.335 97 Y C -0.522 175.445 175.900 0.111 0.000 1.155 97 Y CA -1.805 56.378 58.100 0.138 0.000 1.046 97 Y CB 1.283 39.795 38.460 0.086 0.000 1.303 97 Y HN 0.717 nan 8.280 nan 0.000 0.460 98 G N -0.061 108.876 108.800 0.228 0.000 2.766 98 G HA2 0.542 4.502 3.960 -0.000 0.000 0.288 98 G HA3 0.542 4.502 3.960 -0.000 0.000 0.288 98 G C -2.622 172.370 174.900 0.154 0.000 1.408 98 G CA -1.905 43.269 45.100 0.123 0.000 0.852 98 G HN 0.390 nan 8.290 nan 0.000 0.487 99 P HA -0.029 nan 4.420 nan 0.000 0.216 99 P C 0.938 178.279 177.300 0.067 0.000 1.153 99 P CA 1.380 64.527 63.100 0.077 0.000 0.858 99 P CB 0.242 31.971 31.700 0.049 0.000 0.789 100 K N -1.889 118.548 120.400 0.061 0.000 2.592 100 K HA 0.213 4.533 4.320 -0.000 0.000 0.203 100 K C -0.438 176.195 176.600 0.055 0.000 1.070 100 K CA 0.085 56.401 56.287 0.048 0.000 1.062 100 K CB 0.814 33.335 32.500 0.034 0.000 0.814 100 K HN -0.028 nan 8.250 nan 0.000 0.502 101 T N 2.873 117.474 114.554 0.079 0.000 2.809 101 T HA 0.282 4.632 4.350 -0.000 0.000 0.296 101 T C -2.655 172.108 174.700 0.104 0.000 1.015 101 T CA -1.693 60.458 62.100 0.086 0.000 0.954 101 T CB 1.562 70.487 68.868 0.096 0.000 0.950 101 T HN -0.103 nan 8.240 nan 0.000 0.450 102 P HA 0.135 nan 4.420 nan 0.000 0.263 102 P C -2.466 174.897 177.300 0.104 0.000 1.175 102 P CA -0.932 62.209 63.100 0.070 0.000 0.761 102 P CB -0.392 31.338 31.700 0.050 0.000 0.794 103 P HA -0.007 nan 4.420 nan 0.000 0.263 103 P C -0.707 176.683 177.300 0.150 0.000 1.195 103 P CA 0.402 63.596 63.100 0.156 0.000 0.762 103 P CB 0.274 32.025 31.700 0.084 0.000 0.799 104 V N 5.230 125.271 119.914 0.211 0.000 2.370 104 V HA 0.266 4.386 4.120 -0.000 0.000 0.279 104 V C 0.487 176.735 176.094 0.258 0.000 1.029 104 V CA -0.401 62.023 62.300 0.207 0.000 0.870 104 V CB 1.100 33.044 31.823 0.202 0.000 0.984 104 V HN 0.414 nan 8.190 nan 0.000 0.451 105 K N 3.254 123.755 120.400 0.167 0.000 2.159 105 K HA 0.819 5.139 4.320 -0.000 0.000 0.266 105 K C -0.323 176.355 176.600 0.130 0.000 0.975 105 K CA -0.315 56.040 56.287 0.112 0.000 0.865 105 K CB 2.076 34.607 32.500 0.052 0.000 1.087 105 K HN 0.807 nan 8.250 nan 0.000 0.446 106 A N 2.942 125.821 122.820 0.100 0.000 2.350 106 A HA 0.641 4.961 4.320 -0.000 0.000 0.324 106 A C -1.378 176.189 177.584 -0.028 0.000 1.118 106 A CA -0.703 51.386 52.037 0.087 0.000 0.783 106 A CB 0.652 19.771 19.000 0.199 0.000 1.236 106 A HN 0.451 nan 8.150 nan 0.000 0.457 107 L N 1.481 122.670 121.223 -0.057 0.000 2.334 107 L HA 0.675 5.015 4.340 -0.000 0.000 0.276 107 L C -0.713 176.024 176.870 -0.221 0.000 1.014 107 L CA -0.477 54.249 54.840 -0.190 0.000 0.815 107 L CB 1.498 43.426 42.059 -0.219 0.000 1.268 107 L HN 0.655 nan 8.230 nan 0.000 0.428 108 L N 3.697 124.727 121.223 -0.322 0.000 2.404 108 L HA 0.518 4.858 4.340 -0.000 0.000 0.272 108 L C -1.562 175.092 176.870 -0.360 0.000 0.980 108 L CA -0.163 54.527 54.840 -0.250 0.000 0.836 108 L CB 1.228 43.202 42.059 -0.141 0.000 1.238 108 L HN 0.381 nan 8.230 nan 0.000 0.408 109 Y N 5.599 125.767 120.300 -0.221 0.000 2.328 109 Y HA 0.647 5.197 4.550 -0.000 0.000 0.337 109 Y C -0.435 175.430 175.900 -0.058 0.000 1.008 109 Y CA -0.601 57.408 58.100 -0.151 0.000 1.129 109 Y CB 1.455 39.787 38.460 -0.213 0.000 1.185 109 Y HN 0.370 nan 8.280 nan 0.000 0.476 110 L N 2.717 124.011 121.223 0.119 0.000 2.354 110 L HA 0.588 4.928 4.340 -0.000 0.000 0.269 110 L C -0.259 176.657 176.870 0.076 0.000 1.005 110 L CA -0.769 54.116 54.840 0.075 0.000 0.819 110 L CB 2.193 44.261 42.059 0.016 0.000 1.311 110 L HN 0.557 nan 8.230 nan 0.000 0.423 111 T N 2.111 116.700 114.554 0.058 0.000 2.864 111 T HA 0.711 5.060 4.350 -0.000 0.000 0.299 111 T C -0.130 174.528 174.700 -0.071 0.000 1.011 111 T CA -0.509 61.600 62.100 0.015 0.000 0.975 111 T CB 1.437 70.352 68.868 0.077 0.000 0.962 111 T HN 0.683 nan 8.240 nan 0.000 0.448 112 A N 3.195 125.949 122.820 -0.110 0.000 2.331 112 A HA 0.798 5.118 4.320 -0.000 0.000 0.283 112 A C 0.298 177.716 177.584 -0.277 0.000 1.142 112 A CA -0.556 51.385 52.037 -0.160 0.000 0.812 112 A CB 0.205 19.133 19.000 -0.119 0.000 1.074 112 A HN 0.957 nan 8.150 nan 0.000 0.497 113 V N -0.174 119.536 119.914 -0.339 0.000 3.040 113 V HA 0.670 4.790 4.120 -0.000 0.000 0.312 113 V C -0.412 175.494 176.094 -0.314 0.000 1.115 113 V CA -0.881 61.161 62.300 -0.430 0.000 0.998 113 V CB 1.799 33.169 31.823 -0.754 0.000 1.042 113 V HN 0.904 nan 8.190 nan 0.000 0.433 114 E N 2.434 122.485 120.200 -0.248 0.000 2.156 114 E HA 0.521 4.871 4.350 -0.000 0.000 0.279 114 E C -1.462 175.053 176.600 -0.141 0.000 0.965 114 E CA -0.674 55.622 56.400 -0.173 0.000 0.789 114 E CB 1.405 31.043 29.700 -0.104 0.000 1.098 114 E HN 0.689 nan 8.360 nan 0.000 0.397 115 I N 3.976 124.453 120.570 -0.155 0.000 2.542 115 I HA 0.136 4.306 4.170 -0.000 0.000 0.278 115 I C -0.737 175.416 176.117 0.060 0.000 1.069 115 I CA -0.585 60.695 61.300 -0.034 0.000 1.100 115 I CB 0.858 38.818 38.000 -0.066 0.000 1.204 115 I HN 0.282 nan 8.210 nan 0.000 0.470 116 S N 6.291 122.037 115.700 0.078 0.000 2.552 116 S HA 0.613 5.083 4.470 -0.000 0.000 0.314 116 S C -0.546 174.110 174.600 0.093 0.000 1.099 116 S CA -0.737 57.517 58.200 0.090 0.000 1.070 116 S CB 2.514 65.739 63.200 0.042 0.000 0.998 116 S HN 0.480 nan 8.310 nan 0.000 0.474 117 L N 3.220 124.499 121.223 0.093 0.000 2.260 117 L HA 0.460 4.800 4.340 -0.000 0.000 0.289 117 L C -0.878 176.005 176.870 0.021 0.000 1.057 117 L CA -0.418 54.461 54.840 0.065 0.000 0.811 117 L CB 0.384 42.463 42.059 0.034 0.000 1.184 117 L HN 0.859 nan 8.230 nan 0.000 0.429 118 C N 4.053 123.367 119.300 0.023 0.000 2.456 118 C HA 0.941 5.400 4.460 -0.000 0.000 0.325 118 C C 0.403 175.384 174.990 -0.016 0.000 1.217 118 C CA -0.535 58.475 59.018 -0.012 0.000 1.687 118 C CB 1.156 28.890 27.740 -0.010 0.000 2.270 118 C HN 0.932 nan 8.230 nan 0.000 0.499 119 A N 0.972 123.757 122.820 -0.058 0.000 2.567 119 A HA 0.688 5.008 4.320 -0.000 0.000 0.289 119 A C -1.089 176.451 177.584 -0.072 0.000 1.177 119 A CA -0.244 51.766 52.037 -0.044 0.000 0.694 119 A CB 0.774 19.701 19.000 -0.121 0.000 1.292 119 A HN 0.703 nan 8.150 nan 0.000 0.425 120 D N 1.101 121.473 120.400 -0.048 0.000 2.688 120 D HA 0.157 4.797 4.640 -0.000 0.000 0.228 120 D C 1.230 177.441 176.300 -0.148 0.000 1.116 120 D CA 0.001 53.952 54.000 -0.083 0.000 1.023 120 D CB -0.611 40.155 40.800 -0.057 0.000 1.100 120 D HN 0.468 nan 8.370 nan 0.000 0.487 121 I N -0.872 119.594 120.570 -0.173 0.000 2.761 121 I HA -0.046 4.124 4.170 -0.000 0.000 0.261 121 I C 1.592 177.544 176.117 -0.276 0.000 1.198 121 I CA 0.870 62.026 61.300 -0.240 0.000 1.482 121 I CB -0.410 37.455 38.000 -0.225 0.000 1.100 121 I HN 0.105 nan 8.210 nan 0.000 0.445 122 T N -1.651 112.774 114.554 -0.214 0.000 3.129 122 T HA 0.232 4.582 4.350 -0.000 0.000 0.251 122 T C 0.850 175.413 174.700 -0.229 0.000 1.117 122 T CA -0.168 61.809 62.100 -0.204 0.000 1.034 122 T CB -0.275 68.512 68.868 -0.134 0.000 0.968 122 T HN 0.519 nan 8.240 nan 0.000 0.526 123 R N 0.176 120.508 120.500 -0.279 0.000 3.246 123 R HA -0.149 4.191 4.340 -0.000 0.000 0.260 123 R C 0.796 176.991 176.300 -0.175 0.000 1.034 123 R CA 0.817 56.695 56.100 -0.371 0.000 0.691 123 R CB -2.726 27.172 30.300 -0.672 0.000 1.186 123 R HN 0.683 nan 8.270 nan 0.000 0.416 124 T N -3.682 110.811 114.554 -0.101 0.000 3.467 124 T HA 0.431 4.781 4.350 -0.000 0.000 0.258 124 T C 0.464 175.161 174.700 -0.006 0.000 0.999 124 T CA 0.582 62.664 62.100 -0.030 0.000 1.148 124 T CB 1.518 70.368 68.868 -0.030 0.000 1.186 124 T HN 0.765 nan 8.240 nan 0.000 0.401 125 G N 2.954 111.741 108.800 -0.022 0.000 2.289 125 G HA2 0.475 4.435 3.960 -0.000 0.000 0.315 125 G HA3 0.475 4.435 3.960 -0.000 0.000 0.315 125 G C -1.148 173.736 174.900 -0.026 0.000 1.587 125 G CA -0.646 44.449 45.100 -0.008 0.000 0.949 125 G HN 0.588 nan 8.290 nan 0.000 0.626 137 R N 0.472 120.943 120.500 -0.048 0.000 3.463 137 R HA 0.450 4.790 4.340 -0.000 0.000 0.303 137 R C -0.947 175.341 176.300 -0.021 0.000 1.370 137 R CA -0.377 55.692 56.100 -0.052 0.000 1.524 137 R CB 0.778 31.043 30.300 -0.057 0.000 1.389 137 R HN 0.488 nan 8.270 nan 0.000 0.640 138 T N 0.562 115.106 114.554 -0.017 0.000 2.893 138 T HA 0.220 4.570 4.350 -0.000 0.000 0.293 138 T C -1.591 173.131 174.700 0.037 0.000 1.027 138 T CA -0.553 61.568 62.100 0.034 0.000 0.988 138 T CB 1.757 70.642 68.868 0.029 0.000 1.043 138 T HN 0.430 nan 8.240 nan 0.000 0.461 139 W N 3.953 125.212 121.300 -0.069 0.000 2.332 139 W HA 0.483 5.143 4.660 0.001 0.000 0.306 139 W C 0.179 176.648 176.519 -0.085 0.000 1.149 139 W CA -0.276 57.002 57.345 -0.111 0.000 1.271 139 W CB 0.623 30.005 29.460 -0.130 0.000 1.243 139 W HN 0.688 nan 8.180 nan 0.000 0.459 140 T N 2.113 116.474 114.554 -0.320 0.000 2.841 140 T HA 0.438 4.788 4.350 -0.000 0.000 0.283 140 T C -0.740 173.771 174.700 -0.316 0.000 1.000 140 T CA -0.754 61.278 62.100 -0.113 0.000 0.977 140 T CB 0.739 69.569 68.868 -0.063 0.000 0.979 140 T HN 0.358 nan 8.240 nan 0.000 0.446 141 W N 1.578 122.915 121.300 0.062 0.000 2.161 141 W HA 0.575 5.234 4.660 -0.002 0.000 0.344 141 W C 1.183 177.715 176.519 0.022 0.000 1.262 141 W CA 1.367 58.797 57.345 0.141 0.000 1.270 141 W CB 0.399 30.033 29.460 0.289 0.000 1.126 141 W HN 1.421 nan 8.180 nan 0.000 0.598 142 G N 1.396 110.382 108.800 0.310 0.000 2.541 142 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 142 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 142 G C -2.332 172.607 174.900 0.066 0.000 1.286 142 G CA -0.799 44.408 45.100 0.179 0.000 0.894 142 G HN 0.273 nan 8.290 nan 0.000 0.575 143 P HA 0.112 nan 4.420 nan 0.000 0.222 143 P C 1.414 178.699 177.300 -0.026 0.000 1.147 143 P CA 1.492 64.586 63.100 -0.010 0.000 0.790 143 P CB 0.195 31.884 31.700 -0.018 0.000 0.780 144 C N -1.778 117.508 119.300 -0.024 0.000 2.974 144 C HA 0.440 4.900 4.460 -0.000 0.000 0.282 144 C C 1.616 176.559 174.990 -0.077 0.000 1.292 144 C CA -0.327 58.665 59.018 -0.043 0.000 1.710 144 C CB -1.052 26.673 27.740 -0.025 0.000 2.036 144 C HN 0.192 nan 8.230 nan 0.000 0.629 145 G N 0.068 108.806 108.800 -0.104 0.000 2.535 145 G HA2 0.494 4.454 3.960 -0.000 0.000 0.282 145 G HA3 0.494 4.454 3.960 -0.000 0.000 0.282 145 G C -0.876 173.838 174.900 -0.310 0.000 1.350 145 G CA 0.066 45.047 45.100 -0.197 0.000 1.039 145 G HN 0.445 nan 8.290 nan 0.000 0.509 146 Q N -1.901 117.616 119.800 -0.472 0.000 2.391 146 Q HA 0.537 4.877 4.340 -0.000 0.000 0.279 146 Q C -0.734 174.781 176.000 -0.808 0.000 1.028 146 Q CA -0.188 55.317 55.803 -0.497 0.000 0.836 146 Q CB 2.125 30.675 28.738 -0.313 0.000 1.414 146 Q HN 1.604 nan 8.270 nan 0.000 0.397 147 G N 0.820 109.173 108.800 -0.745 0.000 2.397 147 G HA2 0.424 4.384 3.960 -0.000 0.000 0.453 147 G HA3 0.424 4.384 3.960 -0.000 0.000 0.453 147 G C -1.340 173.301 174.900 -0.433 0.000 1.579 147 G CA -0.369 44.248 45.100 -0.804 0.000 0.906 147 G HN 0.754 nan 8.290 nan 0.000 0.675 148 A N 0.855 123.617 122.820 -0.097 0.000 2.304 148 A HA 0.870 5.189 4.320 -0.000 0.000 0.271 148 A C 0.180 177.991 177.584 0.378 0.000 1.091 148 A CA -0.238 51.819 52.037 0.035 0.000 0.812 148 A CB 0.534 19.490 19.000 -0.073 0.000 1.056 148 A HN 1.138 nan 8.150 nan 0.000 0.489 149 I N 0.479 121.219 120.570 0.284 0.000 2.493 149 I HA 0.429 4.599 4.170 -0.000 0.000 0.298 149 I C -0.380 175.949 176.117 0.354 0.000 0.998 149 I CA -0.074 61.420 61.300 0.323 0.000 1.137 149 I CB 1.684 39.762 38.000 0.131 0.000 1.310 149 I HN 0.515 nan 8.210 nan 0.000 0.445 150 L N 6.297 127.681 121.223 0.268 0.000 2.362 150 L HA 0.578 4.918 4.340 -0.000 0.000 0.275 150 L C -1.125 175.817 176.870 0.119 0.000 0.998 150 L CA -0.740 54.161 54.840 0.101 0.000 0.820 150 L CB 1.716 43.742 42.059 -0.055 0.000 1.270 150 L HN 0.459 nan 8.230 nan 0.000 0.415 151 L N 4.038 125.331 121.223 0.116 0.000 2.325 151 L HA 0.432 4.772 4.340 -0.000 0.000 0.279 151 L C -0.244 176.611 176.870 -0.024 0.000 1.054 151 L CA -0.968 53.915 54.840 0.071 0.000 0.804 151 L CB 2.001 44.132 42.059 0.119 0.000 1.200 151 L HN 0.275 nan 8.230 nan 0.000 0.436 152 V N 2.109 121.922 119.914 -0.168 0.000 2.521 152 V HA -0.041 4.078 4.120 -0.000 0.000 0.286 152 V C 0.651 176.712 176.094 -0.055 0.000 1.034 152 V CA -0.188 61.970 62.300 -0.237 0.000 1.045 152 V CB 0.707 32.111 31.823 -0.700 0.000 0.974 152 V HN 0.639 nan 8.190 nan 0.000 0.480 153 N N 4.003 122.709 118.700 0.010 0.000 3.178 153 N HA 0.051 4.790 4.740 -0.000 0.000 0.300 153 N C 0.790 176.361 175.510 0.101 0.000 1.242 153 N CA -0.219 52.875 53.050 0.073 0.000 1.192 153 N CB -0.220 38.318 38.487 0.086 0.000 1.463 153 N HN 0.868 nan 8.380 nan 0.000 0.539 154 C N -0.821 118.564 119.300 0.141 0.000 2.754 154 C HA 0.296 4.756 4.460 -0.000 0.000 0.276 154 C C 0.706 175.838 174.990 0.236 0.000 1.264 154 C CA -0.983 58.162 59.018 0.211 0.000 1.700 154 C CB -1.380 26.551 27.740 0.320 0.000 1.885 154 C HN 0.523 nan 8.230 nan 0.000 0.607 155 D N 1.015 121.532 120.400 0.196 0.000 2.539 155 D HA 0.222 4.862 4.640 -0.000 0.000 0.276 155 D C -0.216 176.160 176.300 0.127 0.000 1.206 155 D CA -0.701 53.414 54.000 0.192 0.000 1.081 155 D CB 0.502 41.421 40.800 0.198 0.000 1.142 155 D HN 0.389 nan 8.370 nan 0.000 0.595 156 R N -0.047 120.517 120.500 0.108 0.000 2.547 156 R HA 0.172 4.512 4.340 -0.000 0.000 0.280 156 R C -0.589 175.745 176.300 0.056 0.000 1.630 156 R CA -0.449 55.688 56.100 0.062 0.000 1.470 156 R CB 0.261 30.582 30.300 0.034 0.000 1.178 156 R HN 0.273 nan 8.270 nan 0.000 0.591 157 D N 0.429 120.858 120.400 0.049 0.000 2.269 157 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 157 D C 0.177 176.487 176.300 0.017 0.000 0.963 157 D CA 0.672 54.693 54.000 0.035 0.000 0.864 157 D CB 0.240 41.054 40.800 0.024 0.000 0.936 157 D HN 0.496 nan 8.370 nan 0.000 0.505 158 N N 1.833 120.539 118.700 0.011 0.000 2.458 158 N HA -0.028 4.712 4.740 -0.000 0.000 0.258 158 N C 1.802 177.314 175.510 0.003 0.000 1.219 158 N CA -0.211 52.840 53.050 0.002 0.000 0.902 158 N CB 1.254 39.741 38.487 -0.000 0.000 1.076 158 N HN 0.017 nan 8.380 nan 0.000 0.455 159 L N 2.845 124.069 121.223 0.000 0.000 1.924 159 L HA -0.118 4.222 4.340 -0.000 0.000 0.234 159 L C 0.324 177.194 176.870 0.000 0.000 1.090 159 L CA 1.421 56.262 54.840 0.001 0.000 0.816 159 L CB -0.671 41.388 42.059 -0.001 0.000 0.901 159 L HN 0.528 nan 8.230 nan 0.000 0.433 160 E N 0.823 121.022 120.200 -0.002 0.000 2.674 160 E HA 0.319 4.669 4.350 -0.000 0.000 0.240 160 E C -0.566 176.029 176.600 -0.008 0.000 1.213 160 E CA -0.205 56.192 56.400 -0.005 0.000 1.357 160 E CB 0.771 30.469 29.700 -0.003 0.000 1.467 160 E HN 0.390 nan 8.360 nan 0.000 0.448 161 S N 0.092 115.786 115.700 -0.010 0.000 2.671 161 S HA 0.360 4.830 4.470 -0.000 0.000 0.299 161 S C 0.581 175.167 174.600 -0.024 0.000 1.116 161 S CA -0.458 57.734 58.200 -0.013 0.000 0.912 161 S CB 1.908 65.103 63.200 -0.008 0.000 1.130 161 S HN 0.216 nan 8.310 nan 0.000 0.501 162 S N 0.789 116.471 115.700 -0.030 0.000 2.524 162 S HA 0.474 4.944 4.470 -0.000 0.000 0.222 162 S C 0.444 175.008 174.600 -0.060 0.000 1.040 162 S CA 0.383 58.552 58.200 -0.051 0.000 0.915 162 S CB -0.159 63.011 63.200 -0.050 0.000 0.831 162 S HN 0.916 nan 8.310 nan 0.000 0.492 163 A N 2.411 125.210 122.820 -0.036 0.000 2.316 163 A HA 0.686 5.006 4.320 -0.000 0.000 0.284 163 A C 0.256 177.834 177.584 -0.010 0.000 1.115 163 A CA -0.595 51.425 52.037 -0.027 0.000 0.812 163 A CB 0.129 19.125 19.000 -0.007 0.000 1.064 163 A HN 0.597 nan 8.150 nan 0.000 0.489 164 M N 1.413 121.014 119.600 0.001 0.000 2.252 164 M HA 0.000 4.480 4.480 -0.000 0.000 0.329 164 M C 0.317 176.648 176.300 0.052 0.000 1.101 164 M CA -0.172 55.154 55.300 0.045 0.000 1.117 164 M CB 0.113 32.764 32.600 0.085 0.000 1.563 164 M HN 0.722 nan 8.290 nan 0.000 0.445 165 D N 1.591 122.028 120.400 0.062 0.000 2.190 165 D HA -0.134 4.505 4.640 -0.000 0.000 0.200 165 D C 1.817 178.163 176.300 0.077 0.000 0.992 165 D CA 1.478 55.512 54.000 0.056 0.000 0.854 165 D CB -0.354 40.476 40.800 0.050 0.000 0.936 165 D HN 0.858 nan 8.370 nan 0.000 0.462 166 C N 0.039 119.391 119.300 0.086 0.000 2.539 166 C HA 0.213 4.673 4.460 -0.000 0.000 0.271 166 C C 1.968 177.007 174.990 0.082 0.000 1.412 166 C CA -0.550 58.527 59.018 0.098 0.000 1.729 166 C CB -1.104 26.685 27.740 0.081 0.000 1.739 166 C HN 0.158 nan 8.230 nan 0.000 0.570 167 E N 1.944 122.184 120.200 0.067 0.000 2.285 167 E HA -0.025 4.325 4.350 -0.000 0.000 0.194 167 E C 0.525 177.156 176.600 0.052 0.000 0.997 167 E CA 0.989 57.418 56.400 0.048 0.000 0.845 167 E CB 0.123 29.843 29.700 0.033 0.000 0.782 167 E HN 0.890 nan 8.360 nan 0.000 0.491 168 D N 0.239 120.684 120.400 0.076 0.000 2.564 168 D HA 0.046 4.686 4.640 -0.000 0.000 0.273 168 D C -0.445 175.941 176.300 0.143 0.000 1.192 168 D CA -0.727 53.327 54.000 0.090 0.000 1.080 168 D CB 0.469 41.319 40.800 0.083 0.000 1.160 168 D HN -0.141 nan 8.370 nan 0.000 0.607 169 D N -2.126 118.378 120.400 0.173 0.000 3.068 169 D HA 0.294 4.934 4.640 -0.000 0.000 0.327 169 D C -0.785 175.732 176.300 0.362 0.000 1.361 169 D CA -0.625 53.524 54.000 0.249 0.000 0.877 169 D CB 0.006 40.940 40.800 0.224 0.000 1.088 169 D HN 0.410 nan 8.370 nan 0.000 0.489 170 E N -0.480 119.930 120.200 0.350 0.000 2.383 170 E HA 0.448 4.798 4.350 -0.000 0.000 0.275 170 E C -1.037 175.556 176.600 -0.011 0.000 0.918 170 E CA -1.379 55.174 56.400 0.255 0.000 0.764 170 E CB 2.415 32.187 29.700 0.120 0.000 1.252 170 E HN -0.101 nan 8.360 nan 0.000 0.449 171 V N 3.035 122.773 119.914 -0.294 0.000 2.353 171 V HA 0.047 4.167 4.120 -0.000 0.000 0.264 171 V C 0.511 176.492 176.094 -0.189 0.000 1.049 171 V CA -0.281 61.779 62.300 -0.401 0.000 0.896 171 V CB 0.670 32.119 31.823 -0.622 0.000 1.025 171 V HN 0.664 nan 8.190 nan 0.000 0.475 172 L N 3.133 124.283 121.223 -0.121 0.000 2.513 172 L HA 0.345 4.685 4.340 -0.000 0.000 0.222 172 L C 0.243 177.070 176.870 -0.071 0.000 1.096 172 L CA 0.992 55.791 54.840 -0.069 0.000 0.857 172 L CB -0.538 41.501 42.059 -0.034 0.000 1.026 172 L HN 0.660 nan 8.230 nan 0.000 0.469 173 D N -2.509 117.836 120.400 -0.092 0.000 2.819 173 D HA 0.196 4.836 4.640 -0.000 0.000 0.232 173 D C 0.946 177.180 176.300 -0.110 0.000 1.160 173 D CA 0.037 53.990 54.000 -0.078 0.000 0.858 173 D CB 1.836 42.606 40.800 -0.050 0.000 1.610 173 D HN -0.162 nan 8.370 nan 0.000 0.481 174 S N 1.482 117.123 115.700 -0.098 0.000 2.383 174 S HA -0.217 4.253 4.470 -0.000 0.000 0.227 174 S C 1.564 176.098 174.600 -0.110 0.000 1.026 174 S CA 0.713 58.840 58.200 -0.122 0.000 0.981 174 S CB -0.264 62.880 63.200 -0.093 0.000 0.818 174 S HN 0.637 nan 8.310 nan 0.000 0.472 175 E N 1.837 121.997 120.200 -0.067 0.000 2.265 175 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 175 E C 1.377 177.954 176.600 -0.037 0.000 0.996 175 E CA 1.335 57.712 56.400 -0.038 0.000 0.832 175 E CB -0.692 29.000 29.700 -0.012 0.000 0.756 175 E HN 0.583 nan 8.360 nan 0.000 0.491 176 D N 1.594 121.955 120.400 -0.065 0.000 2.149 176 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 176 D C 2.099 178.353 176.300 -0.077 0.000 0.990 176 D CA 0.893 54.856 54.000 -0.062 0.000 0.839 176 D CB -0.193 40.548 40.800 -0.098 0.000 0.948 176 D HN 0.210 nan 8.370 nan 0.000 0.460 177 L N -0.030 121.096 121.223 -0.162 0.000 2.261 177 L HA -0.180 4.160 4.340 -0.000 0.000 0.216 177 L C 2.408 179.260 176.870 -0.029 0.000 1.114 177 L CA 0.891 55.601 54.840 -0.215 0.000 0.777 177 L CB -0.503 41.261 42.059 -0.490 0.000 0.910 177 L HN 0.169 nan 8.230 nan 0.000 0.440 178 Q N -0.227 119.583 119.800 0.016 0.000 2.226 178 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 178 Q C 1.426 177.548 176.000 0.203 0.000 0.975 178 Q CA 1.215 57.084 55.803 0.110 0.000 0.866 178 Q CB -0.003 28.783 28.738 0.081 0.000 0.915 178 Q HN 0.520 nan 8.270 nan 0.000 0.440 179 D N -0.324 120.168 120.400 0.153 0.000 2.317 179 D HA 0.006 4.646 4.640 -0.000 0.000 0.211 179 D C 0.553 177.015 176.300 0.269 0.000 0.966 179 D CA 0.744 54.858 54.000 0.191 0.000 0.876 179 D CB 0.212 41.087 40.800 0.124 0.000 0.927 179 D HN 0.282 nan 8.370 nan 0.000 0.519 180 M N 0.223 119.952 119.600 0.215 0.000 2.359 180 M HA 0.205 4.684 4.480 -0.000 0.000 0.322 180 M C 0.238 176.573 176.300 0.058 0.000 1.166 180 M CA -0.306 55.105 55.300 0.186 0.000 1.067 180 M CB 1.737 34.468 32.600 0.218 0.000 1.523 180 M HN -0.357 nan 8.290 nan 0.000 0.467 181 S N 2.123 117.793 115.700 -0.050 0.000 2.499 181 S HA 0.421 4.891 4.470 -0.000 0.000 0.279 181 S C -0.650 173.848 174.600 -0.171 0.000 1.219 181 S CA -0.783 57.274 58.200 -0.239 0.000 1.062 181 S CB 0.896 63.982 63.200 -0.191 0.000 0.978 181 S HN 0.470 nan 8.310 nan 0.000 0.489 182 L N 4.300 125.383 121.223 -0.234 0.000 2.319 182 L HA 0.538 4.878 4.340 -0.000 0.000 0.280 182 L C -0.390 176.417 176.870 -0.105 0.000 1.099 182 L CA 0.353 54.995 54.840 -0.329 0.000 0.828 182 L CB 0.485 42.356 42.059 -0.313 0.000 1.150 182 L HN 0.785 nan 8.230 nan 0.000 0.442 183 M N 5.005 124.576 119.600 -0.050 0.000 2.395 183 M HA 0.589 5.069 4.480 -0.000 0.000 0.307 183 M C -0.987 175.393 176.300 0.133 0.000 1.091 183 M CA -0.350 55.014 55.300 0.106 0.000 0.919 183 M CB 1.973 34.707 32.600 0.223 0.000 1.662 183 M HN 0.784 nan 8.290 nan 0.000 0.440 184 T N 2.606 117.222 114.554 0.104 0.000 2.861 184 T HA 0.528 4.878 4.350 -0.000 0.000 0.287 184 T C -1.077 173.709 174.700 0.144 0.000 1.003 184 T CA -0.887 61.267 62.100 0.091 0.000 0.977 184 T CB 1.562 70.421 68.868 -0.015 0.000 0.996 184 T HN 0.770 nan 8.240 nan 0.000 0.448 185 L N 2.974 124.313 121.223 0.194 0.000 2.276 185 L HA 0.509 4.849 4.340 -0.000 0.000 0.286 185 L C -0.489 176.447 176.870 0.111 0.000 1.024 185 L CA -0.492 54.467 54.840 0.198 0.000 0.826 185 L CB 1.282 43.541 42.059 0.333 0.000 1.211 185 L HN 0.855 nan 8.230 nan 0.000 0.422 186 S N 2.472 118.221 115.700 0.081 0.000 2.442 186 S HA 0.562 5.032 4.470 -0.000 0.000 0.297 186 S C 0.009 174.659 174.600 0.082 0.000 1.131 186 S CA -0.578 57.655 58.200 0.054 0.000 1.092 186 S CB 1.472 64.684 63.200 0.019 0.000 0.998 186 S HN 0.714 nan 8.310 nan 0.000 0.478 187 T N 0.230 114.852 114.554 0.112 0.000 2.907 187 T HA 0.760 5.110 4.350 -0.000 0.000 0.292 187 T C -0.945 173.801 174.700 0.078 0.000 1.043 187 T CA -1.044 61.129 62.100 0.121 0.000 1.003 187 T CB 1.694 70.716 68.868 0.258 0.000 1.084 187 T HN 0.401 nan 8.240 nan 0.000 0.483 188 K N 1.576 121.972 120.400 -0.006 0.000 2.668 188 K HA 0.579 4.899 4.320 -0.000 0.000 0.246 188 K C -0.836 175.667 176.600 -0.162 0.000 0.976 188 K CA -0.211 56.049 56.287 -0.046 0.000 0.902 188 K CB 1.297 33.765 32.500 -0.053 0.000 1.172 188 K HN 1.111 nan 8.250 nan 0.000 0.452 189 T N 0.774 115.230 114.554 -0.163 0.000 2.841 189 T HA 0.650 5.000 4.350 -0.000 0.000 0.296 189 T C -2.748 171.845 174.700 -0.179 0.000 1.166 189 T CA -2.238 59.650 62.100 -0.353 0.000 1.007 189 T CB 1.546 70.050 68.868 -0.606 0.000 1.253 189 T HN 0.205 nan 8.240 nan 0.000 0.511 190 P HA 0.199 nan 4.420 nan 0.000 0.269 190 P C 0.501 177.815 177.300 0.024 0.000 1.211 190 P CA -0.282 62.796 63.100 -0.036 0.000 0.781 190 P CB 0.460 32.166 31.700 0.009 0.000 0.877 191 K N 1.075 121.498 120.400 0.038 0.000 2.211 191 K HA -0.125 4.195 4.320 -0.000 0.000 0.203 191 K C 0.941 177.590 176.600 0.080 0.000 1.050 191 K CA 1.517 57.840 56.287 0.060 0.000 0.945 191 K CB -0.244 32.282 32.500 0.043 0.000 0.732 191 K HN 0.614 nan 8.250 nan 0.000 0.451 192 D N -0.427 120.016 120.400 0.072 0.000 2.402 192 D HA -0.063 4.577 4.640 -0.000 0.000 0.216 192 D C 1.214 177.550 176.300 0.060 0.000 1.128 192 D CA -0.340 53.698 54.000 0.064 0.000 0.833 192 D CB -0.365 40.456 40.800 0.035 0.000 0.971 192 D HN 0.098 nan 8.370 nan 0.000 0.503 193 F N 0.534 120.401 119.950 -0.138 0.000 2.161 193 F HA -0.030 4.497 4.527 -0.000 0.000 0.300 193 F C 1.129 176.764 175.800 -0.274 0.000 1.089 193 F CA 1.260 59.083 58.000 -0.296 0.000 1.282 193 F CB -0.047 38.593 39.000 -0.601 0.000 1.010 193 F HN -0.145 nan 8.300 nan 0.000 0.485 194 F N -0.869 119.111 119.950 0.050 0.000 2.732 194 F HA 0.030 4.556 4.527 -0.001 0.000 0.303 194 F C 2.055 177.815 175.800 -0.067 0.000 1.110 194 F CA 0.209 58.195 58.000 -0.024 0.000 1.355 194 F CB -0.617 38.420 39.000 0.063 0.000 1.081 194 F HN -0.208 nan 8.300 nan 0.000 0.565 195 T N 0.012 114.589 114.554 0.038 0.000 2.720 195 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 195 T C 1.538 176.183 174.700 -0.093 0.000 1.037 195 T CA 1.673 63.759 62.100 -0.023 0.000 1.144 195 T CB -0.240 68.609 68.868 -0.032 0.000 0.864 195 T HN 0.401 nan 8.240 nan 0.000 0.444 196 N N -0.712 117.881 118.700 -0.177 0.000 2.171 196 N HA 0.125 4.865 4.740 -0.000 0.000 0.212 196 N C -0.633 174.525 175.510 -0.588 0.000 1.184 196 N CA -0.044 52.815 53.050 -0.318 0.000 0.888 196 N CB 0.763 39.058 38.487 -0.320 0.000 1.038 196 N HN 0.364 nan 8.380 nan 0.000 0.517 197 H N -1.287 117.594 119.070 -0.315 0.000 2.928 197 H HA 0.396 4.952 4.556 -0.000 0.000 0.371 197 H C -0.802 174.589 175.328 0.105 0.000 1.186 197 H CA -0.464 55.455 56.048 -0.215 0.000 1.134 197 H CB 2.277 31.680 29.762 -0.598 0.000 1.824 197 H HN -0.240 nan 8.280 nan 0.000 0.554 198 T N 1.538 116.266 114.554 0.291 0.000 2.933 198 T HA 0.523 4.872 4.350 -0.000 0.000 0.305 198 T C -1.446 173.449 174.700 0.325 0.000 1.092 198 T CA -0.716 61.543 62.100 0.264 0.000 1.008 198 T CB 0.643 69.544 68.868 0.056 0.000 1.102 198 T HN 0.382 nan 8.240 nan 0.000 0.469 199 L N 4.022 125.410 121.223 0.274 0.000 2.307 199 L HA 0.812 5.152 4.340 -0.000 0.000 0.282 199 L C -0.213 176.819 176.870 0.270 0.000 1.051 199 L CA -0.978 54.029 54.840 0.278 0.000 0.804 199 L CB 1.798 43.993 42.059 0.226 0.000 1.197 199 L HN 0.451 nan 8.230 nan 0.000 0.431 200 V N 5.313 125.383 119.914 0.261 0.000 2.656 200 V HA 0.481 4.601 4.120 -0.000 0.000 0.307 200 V C -0.891 175.339 176.094 0.227 0.000 1.051 200 V CA -0.558 61.865 62.300 0.205 0.000 0.893 200 V CB 2.119 33.998 31.823 0.094 0.000 0.999 200 V HN 0.551 nan 8.190 nan 0.000 0.426 201 L N 7.133 128.444 121.223 0.146 0.000 2.295 201 L HA 0.770 5.110 4.340 -0.000 0.000 0.285 201 L C -0.763 176.158 176.870 0.085 0.000 1.035 201 L CA -0.267 54.587 54.840 0.024 0.000 0.806 201 L CB 1.420 43.405 42.059 -0.123 0.000 1.214 201 L HN 1.089 nan 8.230 nan 0.000 0.426 202 H N 1.838 120.874 119.070 -0.057 0.000 3.008 202 H HA 0.744 5.300 4.556 -0.000 0.000 0.354 202 H C -1.262 174.047 175.328 -0.032 0.000 1.252 202 H CA -1.034 54.990 56.048 -0.041 0.000 1.117 202 H CB 1.710 31.450 29.762 -0.037 0.000 1.857 202 H HN 0.273 nan 8.280 nan 0.000 0.547 203 V N -1.298 118.658 119.914 0.070 0.000 2.841 203 V HA 0.900 5.020 4.120 -0.000 0.000 0.310 203 V C 0.497 176.631 176.094 0.068 0.000 1.090 203 V CA -0.806 61.513 62.300 0.030 0.000 0.930 203 V CB 1.234 33.062 31.823 0.008 0.000 1.014 203 V HN 1.297 nan 8.190 nan 0.000 0.425 204 A N 3.159 126.013 122.820 0.057 0.000 2.520 204 A HA 0.346 4.665 4.320 -0.000 0.000 0.235 204 A C 1.257 178.855 177.584 0.023 0.000 1.065 204 A CA 0.133 52.200 52.037 0.050 0.000 0.764 204 A CB -0.087 18.940 19.000 0.044 0.000 1.002 204 A HN 0.970 nan 8.150 nan 0.000 0.502 205 R N 1.152 121.661 120.500 0.014 0.000 2.152 205 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 205 R C 2.206 178.494 176.300 -0.020 0.000 1.117 205 R CA 1.587 57.683 56.100 -0.006 0.000 0.981 205 R CB -0.226 30.068 30.300 -0.010 0.000 0.870 205 R HN 0.925 nan 8.270 nan 0.000 0.451 206 S N 0.234 115.929 115.700 -0.009 0.000 2.481 206 S HA -0.064 4.405 4.470 -0.000 0.000 0.231 206 S C 1.377 175.952 174.600 -0.042 0.000 0.996 206 S CA 0.757 58.947 58.200 -0.017 0.000 0.942 206 S CB 0.151 63.356 63.200 0.008 0.000 0.768 206 S HN 0.367 nan 8.310 nan 0.000 0.520 207 E N 0.799 120.977 120.200 -0.037 0.000 2.511 207 E HA 0.215 4.565 4.350 -0.000 0.000 0.209 207 E C 1.825 178.369 176.600 -0.094 0.000 0.986 207 E CA 0.236 56.593 56.400 -0.071 0.000 0.974 207 E CB 0.046 29.747 29.700 0.003 0.000 1.030 207 E HN 0.776 nan 8.360 nan 0.000 0.490 208 M N 0.962 120.522 119.600 -0.066 0.000 2.374 208 M HA -0.064 4.415 4.480 -0.000 0.000 0.264 208 M C 1.050 177.296 176.300 -0.090 0.000 1.067 208 M CA 1.446 56.710 55.300 -0.059 0.000 1.103 208 M CB -0.266 32.315 32.600 -0.032 0.000 1.402 208 M HN -0.131 nan 8.290 nan 0.000 0.444 209 D N 0.936 121.265 120.400 -0.119 0.000 2.363 209 D HA -0.091 4.549 4.640 -0.000 0.000 0.220 209 D C 0.839 177.043 176.300 -0.161 0.000 0.994 209 D CA 0.733 54.655 54.000 -0.130 0.000 0.890 209 D CB -0.275 40.450 40.800 -0.125 0.000 0.906 209 D HN 0.523 nan 8.370 nan 0.000 0.530 210 K N -0.309 119.966 120.400 -0.208 0.000 2.413 210 K HA 0.306 4.626 4.320 -0.000 0.000 0.204 210 K C -0.385 176.127 176.600 -0.146 0.000 1.041 210 K CA -0.197 55.932 56.287 -0.264 0.000 1.082 210 K CB 2.172 34.308 32.500 -0.606 0.000 0.871 210 K HN -0.030 nan 8.250 nan 0.000 0.535 211 V N 0.448 120.300 119.914 -0.103 0.000 3.147 211 V HA 0.516 4.636 4.120 -0.000 0.000 0.306 211 V C -1.936 174.115 176.094 -0.073 0.000 1.209 211 V CA -0.916 61.340 62.300 -0.073 0.000 1.023 211 V CB 2.324 34.112 31.823 -0.059 0.000 1.059 211 V HN 0.164 nan 8.190 nan 0.000 0.435 212 R N 2.755 123.208 120.500 -0.080 0.000 2.604 212 R HA 0.796 5.135 4.340 -0.000 0.000 0.281 212 R C -2.175 174.003 176.300 -0.205 0.000 1.020 212 R CA -0.289 55.718 56.100 -0.155 0.000 0.899 212 R CB 2.156 32.358 30.300 -0.165 0.000 1.205 212 R HN 0.939 nan 8.270 nan 0.000 0.450 213 V N 3.681 123.418 119.914 -0.295 0.000 2.656 213 V HA 0.698 4.818 4.120 -0.000 0.000 0.307 213 V C -1.687 174.240 176.094 -0.278 0.000 1.051 213 V CA -0.555 61.642 62.300 -0.173 0.000 0.893 213 V CB 1.573 33.344 31.823 -0.087 0.000 0.999 213 V HN 0.678 nan 8.190 nan 0.000 0.426 214 F N 3.505 123.547 119.950 0.153 0.000 2.480 214 F HA 0.608 5.135 4.527 -0.000 0.000 0.329 214 F C 0.247 176.195 175.800 0.248 0.000 1.091 214 F CA -0.443 57.645 58.000 0.147 0.000 0.972 214 F CB 2.003 41.076 39.000 0.121 0.000 1.150 214 F HN 0.586 nan 8.300 nan 0.000 0.467 215 Q N 2.011 122.001 119.800 0.316 0.000 2.278 215 Q HA 0.717 5.056 4.340 -0.000 0.000 0.257 215 Q C -0.990 175.051 176.000 0.068 0.000 0.928 215 Q CA -0.766 55.104 55.803 0.110 0.000 0.932 215 Q CB 1.610 30.375 28.738 0.045 0.000 1.221 215 Q HN 0.847 nan 8.270 nan 0.000 0.434 216 A N 3.262 126.083 122.820 0.002 0.000 2.295 216 A HA 0.737 5.057 4.320 -0.000 0.000 0.318 216 A C -0.417 177.149 177.584 -0.030 0.000 1.134 216 A CA -0.234 51.830 52.037 0.045 0.000 0.827 216 A CB 1.637 20.758 19.000 0.202 0.000 1.136 216 A HN 0.767 nan 8.150 nan 0.000 0.493 226 S N 1.056 116.868 115.700 0.186 0.000 2.541 226 S HA 0.802 5.272 4.470 -0.000 0.000 0.271 226 S C -0.563 174.123 174.600 0.143 0.000 1.133 226 S CA -0.818 57.499 58.200 0.195 0.000 0.876 226 S CB 0.970 64.202 63.200 0.054 0.000 1.105 226 S HN 1.865 nan 8.310 nan 0.000 0.470 227 V N 1.461 121.392 119.914 0.027 0.000 2.694 227 V HA 0.308 4.427 4.120 -0.000 0.000 0.306 227 V C 1.292 177.144 176.094 -0.403 0.000 1.054 227 V CA 0.424 62.541 62.300 -0.306 0.000 1.161 227 V CB -0.120 31.538 31.823 -0.275 0.000 0.916 227 V HN 1.408 nan 8.190 nan 0.000 0.490 228 V N 2.000 121.675 119.914 -0.399 0.000 3.219 228 V HA 0.479 4.599 4.120 -0.000 0.000 0.240 228 V C 0.527 176.434 176.094 -0.311 0.000 1.222 228 V CA 0.085 62.039 62.300 -0.576 0.000 1.181 228 V CB -0.226 31.305 31.823 -0.487 0.000 0.941 228 V HN 0.673 nan 8.190 nan 0.000 0.471 229 L N 0.628 121.746 121.223 -0.175 0.000 2.388 229 L HA 0.947 5.287 4.340 -0.000 0.000 0.264 229 L C 0.047 176.920 176.870 0.006 0.000 0.998 229 L CA 0.064 54.892 54.840 -0.020 0.000 0.817 229 L CB 1.944 43.969 42.059 -0.057 0.000 1.338 229 L HN 0.436 nan 8.230 nan 0.000 0.414 230 G N 1.058 109.920 108.800 0.104 0.000 2.317 230 G HA2 0.208 4.167 3.960 -0.000 0.000 0.293 230 G HA3 0.208 4.167 3.960 -0.000 0.000 0.293 230 G C -2.889 172.014 174.900 0.006 0.000 1.287 230 G CA -0.474 44.652 45.100 0.043 0.000 0.850 230 G HN 0.296 nan 8.290 nan 0.000 0.515 231 P HA -0.122 nan 4.420 nan 0.000 0.217 231 P C 1.529 178.706 177.300 -0.204 0.000 1.151 231 P CA 1.530 64.556 63.100 -0.122 0.000 0.849 231 P CB 0.320 31.946 31.700 -0.124 0.000 0.787 232 K N -2.427 117.749 120.400 -0.373 0.000 2.379 232 K HA 0.006 4.325 4.320 -0.000 0.000 0.194 232 K C -0.346 175.919 176.600 -0.558 0.000 1.031 232 K CA 0.406 56.311 56.287 -0.637 0.000 1.037 232 K CB 0.419 32.206 32.500 -1.189 0.000 0.824 232 K HN 0.182 nan 8.250 nan 0.000 0.516 233 W N 1.967 123.245 121.300 -0.037 0.000 2.563 233 W HA 0.267 4.926 4.660 -0.001 0.000 0.301 233 W C -2.361 174.140 176.519 -0.031 0.000 1.006 233 W CA -1.926 55.404 57.345 -0.025 0.000 1.382 233 W CB 1.368 30.820 29.460 -0.013 0.000 1.262 233 W HN -0.117 nan 8.180 nan 0.000 0.403 234 P HA -0.027 nan 4.420 nan 0.000 0.245 234 P C 0.369 177.734 177.300 0.107 0.000 1.206 234 P CA 0.797 63.955 63.100 0.097 0.000 0.781 234 P CB 0.760 32.491 31.700 0.052 0.000 0.994 235 S N -1.345 114.420 115.700 0.108 0.000 2.550 235 S HA 0.602 5.072 4.470 -0.000 0.000 0.270 235 S C -1.543 173.080 174.600 0.039 0.000 1.145 235 S CA -0.688 57.548 58.200 0.060 0.000 0.852 235 S CB 1.882 65.057 63.200 -0.041 0.000 1.119 235 S HN 0.093 nan 8.310 nan 0.000 0.465 236 H N -0.154 118.845 119.070 -0.118 0.000 3.026 236 H HA 0.433 4.989 4.556 -0.000 0.000 0.352 236 H C -1.956 173.320 175.328 -0.087 0.000 1.090 236 H CA -0.422 55.548 56.048 -0.130 0.000 1.268 236 H CB 1.130 30.841 29.762 -0.085 0.000 1.816 236 H HN 0.719 nan 8.280 nan 0.000 0.518 237 Y N 4.768 124.915 120.300 -0.254 0.000 2.436 237 Y HA 0.153 4.703 4.550 -0.000 0.000 0.336 237 Y C 0.201 176.086 175.900 -0.025 0.000 1.049 237 Y CA -0.513 57.516 58.100 -0.118 0.000 1.294 237 Y CB 0.537 38.900 38.460 -0.161 0.000 1.179 237 Y HN 0.320 nan 8.280 nan 0.000 0.520 238 L N 5.004 126.372 121.223 0.242 0.000 2.349 238 L HA 0.284 4.624 4.340 -0.000 0.000 0.275 238 L C -0.086 176.817 176.870 0.054 0.000 1.115 238 L CA -0.172 54.790 54.840 0.203 0.000 0.820 238 L CB 0.674 42.852 42.059 0.197 0.000 1.135 238 L HN 0.592 nan 8.230 nan 0.000 0.445 239 M N 4.269 123.888 119.600 0.033 0.000 2.111 239 M HA 0.353 4.833 4.480 -0.000 0.000 0.351 239 M C -1.144 175.060 176.300 -0.160 0.000 1.214 239 M CA -0.366 54.896 55.300 -0.064 0.000 1.120 239 M CB 1.048 33.635 32.600 -0.020 0.000 1.443 239 M HN 0.263 nan 8.290 nan 0.000 0.429 240 V N 5.503 125.216 119.914 -0.334 0.000 2.531 240 V HA 0.528 4.648 4.120 -0.000 0.000 0.301 240 V C -2.158 173.671 176.094 -0.441 0.000 1.034 240 V CA -1.457 60.539 62.300 -0.506 0.000 0.865 240 V CB 1.722 33.084 31.823 -0.768 0.000 0.995 240 V HN 0.617 nan 8.190 nan 0.000 0.424 241 P HA 0.352 nan 4.420 nan 0.000 0.281 241 P C 0.253 177.694 177.300 0.234 0.000 1.249 241 P CA 0.023 63.101 63.100 -0.036 0.000 0.810 241 P CB 1.323 32.943 31.700 -0.133 0.000 1.008 242 G N -0.099 108.897 108.800 0.327 0.000 2.651 242 G HA2 0.450 4.410 3.960 -0.000 0.000 0.260 242 G HA3 0.450 4.410 3.960 -0.000 0.000 0.260 242 G C 0.414 175.412 174.900 0.163 0.000 1.216 242 G CA 0.223 45.497 45.100 0.290 0.000 0.913 242 G HN 0.860 nan 8.290 nan 0.000 0.535 243 G N -0.728 108.132 108.800 0.099 0.000 2.512 243 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.240 243 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.240 243 G C 0.080 175.032 174.900 0.087 0.000 1.246 243 G CA 0.390 45.530 45.100 0.067 0.000 0.919 243 G HN 0.816 nan 8.290 nan 0.000 0.577 244 K N 0.630 121.082 120.400 0.086 0.000 2.211 244 K HA 0.549 4.869 4.320 -0.000 0.000 0.275 244 K C -0.399 176.303 176.600 0.169 0.000 1.024 244 K CA -0.595 55.747 56.287 0.092 0.000 0.887 244 K CB 0.515 33.042 32.500 0.045 0.000 1.084 244 K HN 0.752 nan 8.250 nan 0.000 0.463 245 H N 2.898 121.996 119.070 0.046 0.000 2.996 245 H HA 0.319 4.875 4.556 -0.000 0.000 0.368 245 H C -1.525 173.818 175.328 0.025 0.000 1.185 245 H CA -0.843 55.227 56.048 0.037 0.000 1.160 245 H CB 1.957 31.752 29.762 0.055 0.000 1.820 245 H HN 0.646 nan 8.280 nan 0.000 0.547 246 N N 2.663 121.042 118.700 -0.535 0.000 2.352 246 N HA 0.288 5.028 4.740 -0.000 0.000 0.291 246 N C -1.193 174.017 175.510 -0.500 0.000 1.040 246 N CA -0.480 52.359 53.050 -0.350 0.000 0.864 246 N CB 2.491 40.859 38.487 -0.199 0.000 1.440 246 N HN 0.443 nan 8.380 nan 0.000 0.483 247 M N 1.717 121.157 119.600 -0.266 0.000 2.190 247 M HA 0.449 4.929 4.480 -0.000 0.000 0.312 247 M C -1.642 174.418 176.300 -0.399 0.000 0.990 247 M CA -0.606 54.519 55.300 -0.292 0.000 0.927 247 M CB 0.981 33.505 32.600 -0.126 0.000 1.571 247 M HN 0.349 nan 8.290 nan 0.000 0.427 248 D N 4.643 124.765 120.400 -0.464 0.000 2.168 248 D HA 0.502 5.142 4.640 -0.000 0.000 0.246 248 D C -1.393 174.523 176.300 -0.639 0.000 1.050 248 D CA 0.379 54.134 54.000 -0.408 0.000 0.857 248 D CB 1.088 41.755 40.800 -0.223 0.000 1.169 248 D HN 0.362 nan 8.370 nan 0.000 0.453 249 F N 1.111 120.967 119.950 -0.156 0.000 2.546 249 F HA 0.438 4.965 4.527 -0.000 0.000 0.320 249 F C -0.434 175.187 175.800 -0.299 0.000 1.076 249 F CA -1.010 56.942 58.000 -0.080 0.000 0.928 249 F CB 1.300 40.288 39.000 -0.021 0.000 1.189 249 F HN 0.154 nan 8.300 nan 0.000 0.465 250 Y N 1.213 121.671 120.300 0.264 0.000 2.341 250 Y HA 0.653 5.203 4.550 0.000 0.000 0.338 250 Y C -0.540 175.488 175.900 0.213 0.000 0.965 250 Y CA -1.155 57.050 58.100 0.175 0.000 1.108 250 Y CB 1.873 40.401 38.460 0.114 0.000 1.180 250 Y HN 0.232 nan 8.280 nan 0.000 0.458 251 V N 3.512 123.521 119.914 0.159 0.000 2.459 251 V HA 0.435 4.555 4.120 -0.000 0.000 0.295 251 V C -0.579 175.527 176.094 0.020 0.000 1.029 251 V CA -1.087 61.218 62.300 0.008 0.000 0.874 251 V CB 1.508 33.142 31.823 -0.315 0.000 0.985 251 V HN 0.787 nan 8.190 nan 0.000 0.438 252 E N 3.619 123.860 120.200 0.067 0.000 2.199 252 E HA 0.820 5.170 4.350 -0.000 0.000 0.269 252 E C -0.562 176.031 176.600 -0.012 0.000 0.899 252 E CA -0.865 55.571 56.400 0.060 0.000 0.772 252 E CB 2.290 32.087 29.700 0.161 0.000 1.155 252 E HN 0.713 nan 8.360 nan 0.000 0.408 253 A N 3.377 126.177 122.820 -0.033 0.000 2.322 253 A HA 0.390 4.710 4.320 -0.000 0.000 0.269 253 A C 0.493 178.050 177.584 -0.044 0.000 1.094 253 A CA -0.667 51.344 52.037 -0.043 0.000 0.807 253 A CB 0.250 19.224 19.000 -0.043 0.000 1.047 253 A HN 0.789 nan 8.150 nan 0.000 0.487 254 L N 0.232 121.425 121.223 -0.051 0.000 2.858 254 L HA 0.429 4.769 4.340 -0.000 0.000 0.251 254 L C 0.624 177.474 176.870 -0.034 0.000 1.149 254 L CA 0.528 55.346 54.840 -0.038 0.000 0.955 254 L CB -0.047 41.989 42.059 -0.038 0.000 1.289 254 L HN 0.764 nan 8.230 nan 0.000 0.542 255 A N -0.257 122.540 122.820 -0.039 0.000 2.517 255 A HA 0.664 4.984 4.320 -0.000 0.000 0.297 255 A C -1.195 176.480 177.584 0.151 0.000 1.050 255 A CA -0.413 51.661 52.037 0.061 0.000 0.694 255 A CB 1.018 20.006 19.000 -0.020 0.000 1.277 255 A HN -0.028 nan 8.150 nan 0.000 0.400 256 F N 1.652 121.741 119.950 0.232 0.000 2.406 256 F HA 0.436 4.963 4.527 -0.001 0.000 0.327 256 F C -1.658 174.286 175.800 0.238 0.000 1.153 256 F CA -1.314 56.817 58.000 0.218 0.000 1.218 256 F CB 0.445 39.605 39.000 0.267 0.000 1.215 256 F HN 0.308 nan 8.300 nan 0.000 0.570 257 P HA 0.022 nan 4.420 nan 0.000 0.266 257 P C -0.995 176.361 177.300 0.093 0.000 1.193 257 P CA 0.506 63.569 63.100 -0.062 0.000 0.770 257 P CB 0.509 32.086 31.700 -0.205 0.000 0.836 258 D N -0.741 119.725 120.400 0.109 0.000 2.725 258 D HA 0.076 4.716 4.640 -0.000 0.000 0.292 258 D C 0.855 177.224 176.300 0.116 0.000 1.288 258 D CA -0.290 53.796 54.000 0.144 0.000 0.784 258 D CB 0.622 41.573 40.800 0.251 0.000 1.308 258 D HN 0.150 nan 8.370 nan 0.000 0.429 259 T N -0.148 114.468 114.554 0.104 0.000 2.684 259 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 259 T C 1.061 175.823 174.700 0.102 0.000 1.032 259 T CA 2.135 64.287 62.100 0.087 0.000 1.155 259 T CB -0.286 68.632 68.868 0.083 0.000 0.857 259 T HN 0.550 nan 8.240 nan 0.000 0.457 260 D N -0.656 119.825 120.400 0.135 0.000 2.328 260 D HA 0.058 4.697 4.640 -0.000 0.000 0.221 260 D C -0.082 176.364 176.300 0.243 0.000 1.072 260 D CA -0.176 53.910 54.000 0.144 0.000 0.850 260 D CB -0.001 40.865 40.800 0.109 0.000 0.922 260 D HN 0.405 nan 8.370 nan 0.000 0.516 261 F N 0.866 120.837 119.950 0.034 0.000 3.287 261 F HA 0.317 4.844 4.527 0.001 0.000 0.379 261 F C -2.508 173.304 175.800 0.020 0.000 1.268 261 F CA -2.579 55.437 58.000 0.026 0.000 1.220 261 F CB 1.796 40.815 39.000 0.031 0.000 1.687 261 F HN -0.348 nan 8.300 nan 0.000 0.648 262 P HA 0.091 nan 4.420 nan 0.000 0.220 262 P C 0.997 177.982 177.300 -0.525 0.000 1.144 262 P CA 2.549 65.505 63.100 -0.239 0.000 0.800 262 P CB 0.228 31.874 31.700 -0.089 0.000 0.772 263 G N -3.096 104.981 108.800 -1.204 0.000 2.192 263 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.193 263 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.193 263 G C -0.167 174.319 174.900 -0.690 0.000 0.999 263 G CA -0.542 43.846 45.100 -1.187 0.000 0.659 263 G HN 0.235 nan 8.290 nan 0.000 0.503 264 L N 1.773 122.752 121.223 -0.407 0.000 2.295 264 L HA 0.681 5.021 4.340 -0.000 0.000 0.285 264 L C 0.015 176.990 176.870 0.175 0.000 1.035 264 L CA -1.113 53.667 54.840 -0.101 0.000 0.806 264 L CB 1.455 43.474 42.059 -0.068 0.000 1.214 264 L HN -0.050 nan 8.230 nan 0.000 0.426 265 I N 2.054 122.739 120.570 0.191 0.000 2.436 265 I HA 0.328 4.497 4.170 -0.000 0.000 0.289 265 I C -0.195 176.041 176.117 0.199 0.000 1.010 265 I CA -0.203 61.232 61.300 0.226 0.000 1.098 265 I CB 1.916 40.062 38.000 0.245 0.000 1.266 265 I HN 0.514 nan 8.210 nan 0.000 0.434 266 T N 7.241 121.868 114.554 0.122 0.000 2.797 266 T HA 0.667 5.017 4.350 -0.000 0.000 0.279 266 T C -0.012 174.706 174.700 0.031 0.000 0.991 266 T CA -0.466 61.669 62.100 0.058 0.000 0.979 266 T CB 1.544 70.427 68.868 0.023 0.000 0.943 266 T HN 0.268 nan 8.240 nan 0.000 0.444 267 L N 2.917 124.141 121.223 0.002 0.000 2.346 267 L HA 0.654 4.994 4.340 -0.000 0.000 0.276 267 L C -0.010 176.754 176.870 -0.177 0.000 1.006 267 L CA -0.811 53.988 54.840 -0.069 0.000 0.817 267 L CB 2.064 44.129 42.059 0.010 0.000 1.272 267 L HN 0.588 nan 8.230 nan 0.000 0.421 268 T N 2.940 117.285 114.554 -0.349 0.000 2.886 268 T HA 0.511 4.861 4.350 -0.000 0.000 0.292 268 T C -0.819 173.578 174.700 -0.505 0.000 1.012 268 T CA -0.377 61.447 62.100 -0.460 0.000 0.982 268 T CB 2.435 70.946 68.868 -0.595 0.000 1.018 268 T HN 0.306 nan 8.240 nan 0.000 0.451 269 I N 2.487 122.927 120.570 -0.216 0.000 2.354 269 I HA 0.535 4.704 4.170 -0.000 0.000 0.292 269 I C -0.472 175.705 176.117 0.100 0.000 0.989 269 I CA 0.176 61.465 61.300 -0.019 0.000 1.188 269 I CB 1.126 39.170 38.000 0.073 0.000 1.342 269 I HN 0.511 nan 8.210 nan 0.000 0.457 270 S N 7.588 123.443 115.700 0.258 0.000 2.454 270 S HA 0.564 5.034 4.470 -0.000 0.000 0.306 270 S C -0.868 173.912 174.600 0.300 0.000 1.100 270 S CA -0.516 57.847 58.200 0.271 0.000 1.087 270 S CB 1.393 64.758 63.200 0.275 0.000 1.019 270 S HN 0.587 nan 8.310 nan 0.000 0.480 271 L N 5.042 126.481 121.223 0.360 0.000 2.264 271 L HA 0.574 4.914 4.340 -0.000 0.000 0.289 271 L C -1.341 175.725 176.870 0.326 0.000 1.044 271 L CA -0.059 55.017 54.840 0.394 0.000 0.807 271 L CB 0.127 42.461 42.059 0.458 0.000 1.192 271 L HN 0.577 nan 8.230 nan 0.000 0.425 272 L N 4.199 125.602 121.223 0.299 0.000 2.329 272 L HA 0.458 4.798 4.340 -0.000 0.000 0.279 272 L C -0.581 176.388 176.870 0.166 0.000 1.014 272 L CA -0.815 54.150 54.840 0.209 0.000 0.814 272 L CB 1.723 43.885 42.059 0.172 0.000 1.257 272 L HN 0.529 nan 8.230 nan 0.000 0.424 273 D N 1.389 121.832 120.400 0.072 0.000 2.313 273 D HA 0.157 4.797 4.640 -0.000 0.000 0.239 273 D C 0.479 176.672 176.300 -0.179 0.000 1.142 273 D CA -0.176 53.721 54.000 -0.171 0.000 0.847 273 D CB 1.331 42.085 40.800 -0.078 0.000 1.082 273 D HN 0.611 nan 8.370 nan 0.000 0.480 274 T N -0.208 114.180 114.554 -0.277 0.000 3.228 274 T HA 0.128 4.478 4.350 -0.000 0.000 0.278 274 T C 1.400 175.978 174.700 -0.202 0.000 1.014 274 T CA -0.449 61.541 62.100 -0.183 0.000 0.904 274 T CB 0.048 68.826 68.868 -0.149 0.000 1.110 274 T HN 0.113 nan 8.240 nan 0.000 0.541 275 S N 2.127 117.676 115.700 -0.252 0.000 2.419 275 S HA 0.010 4.480 4.470 -0.000 0.000 0.233 275 S C 0.619 175.138 174.600 -0.134 0.000 1.016 275 S CA 0.662 58.737 58.200 -0.208 0.000 0.974 275 S CB -0.267 62.806 63.200 -0.212 0.000 0.786 275 S HN 0.606 nan 8.310 nan 0.000 0.492 276 N N 1.218 119.853 118.700 -0.108 0.000 2.476 276 N HA 0.297 5.036 4.740 -0.000 0.000 0.257 276 N C 0.280 175.750 175.510 -0.066 0.000 0.970 276 N CA -0.272 52.732 53.050 -0.076 0.000 0.938 276 N CB 0.945 39.396 38.487 -0.059 0.000 1.144 276 N HN -0.068 nan 8.380 nan 0.000 0.500 277 L N 1.821 123.008 121.223 -0.061 0.000 2.362 277 L HA -0.058 4.282 4.340 -0.000 0.000 0.219 277 L C 1.898 178.744 176.870 -0.040 0.000 1.134 277 L CA 1.374 56.182 54.840 -0.053 0.000 0.807 277 L CB -0.666 41.364 42.059 -0.049 0.000 0.927 277 L HN 0.711 nan 8.230 nan 0.000 0.447 278 E N -0.497 119.681 120.200 -0.036 0.000 2.481 278 E HA 0.094 4.444 4.350 -0.000 0.000 0.198 278 E C 0.343 176.929 176.600 -0.023 0.000 1.027 278 E CA 0.003 56.386 56.400 -0.027 0.000 0.900 278 E CB 0.101 29.786 29.700 -0.024 0.000 0.993 278 E HN 0.310 nan 8.360 nan 0.000 0.482 279 L N 1.400 122.607 121.223 -0.027 0.000 2.341 279 L HA 0.523 4.863 4.340 -0.000 0.000 0.267 279 L C -2.324 174.534 176.870 -0.020 0.000 1.009 279 L CA -2.567 52.260 54.840 -0.021 0.000 0.819 279 L CB 1.655 43.700 42.059 -0.022 0.000 1.323 279 L HN -0.207 nan 8.230 nan 0.000 0.425 280 P HA 0.027 nan 4.420 nan 0.000 0.270 280 P C -0.865 176.431 177.300 -0.006 0.000 1.227 280 P CA -0.475 62.623 63.100 -0.004 0.000 0.788 280 P CB 0.280 31.982 31.700 0.002 0.000 0.926 281 E N 0.469 120.672 120.200 0.005 0.000 2.415 281 E HA 0.351 4.701 4.350 -0.000 0.000 0.262 281 E C -0.857 175.755 176.600 0.021 0.000 1.038 281 E CA -0.688 55.718 56.400 0.010 0.000 0.921 281 E CB 0.358 30.083 29.700 0.041 0.000 0.950 281 E HN 0.377 nan 8.360 nan 0.000 0.438 282 A N 3.323 126.158 122.820 0.025 0.000 2.330 282 A HA 0.407 4.727 4.320 -0.000 0.000 0.313 282 A C -0.517 177.113 177.584 0.076 0.000 1.124 282 A CA -0.905 51.156 52.037 0.041 0.000 0.774 282 A CB 1.461 20.481 19.000 0.033 0.000 1.198 282 A HN 0.445 nan 8.150 nan 0.000 0.465 283 V N 3.626 123.586 119.914 0.077 0.000 2.508 283 V HA 0.184 4.304 4.120 -0.000 0.000 0.281 283 V C 1.355 177.528 176.094 0.132 0.000 1.041 283 V CA 0.625 62.989 62.300 0.107 0.000 1.016 283 V CB 1.010 32.878 31.823 0.075 0.000 0.984 283 V HN 1.026 nan 8.190 nan 0.000 0.478 284 V N 2.048 122.078 119.914 0.194 0.000 3.635 284 V HA 0.507 4.626 4.120 -0.000 0.000 0.266 284 V C 0.050 176.324 176.094 0.299 0.000 1.316 284 V CA 0.225 62.656 62.300 0.219 0.000 1.060 284 V CB -0.028 31.940 31.823 0.242 0.000 0.820 284 V HN 0.602 nan 8.190 nan 0.000 0.447 285 F N 0.669 120.686 119.950 0.110 0.000 2.654 285 F HA 0.656 5.183 4.527 -0.001 0.000 0.314 285 F C -1.422 174.441 175.800 0.106 0.000 1.116 285 F CA -0.452 57.605 58.000 0.095 0.000 1.017 285 F CB 1.643 40.700 39.000 0.094 0.000 1.285 285 F HN 0.038 nan 8.300 nan 0.000 0.448 286 Q N 4.019 123.400 119.800 -0.698 0.000 2.394 286 Q HA 0.478 4.817 4.340 -0.000 0.000 0.273 286 Q C -1.976 173.465 176.000 -0.932 0.000 1.089 286 Q CA -1.145 54.303 55.803 -0.593 0.000 0.812 286 Q CB 2.973 31.584 28.738 -0.212 0.000 1.353 286 Q HN 0.618 nan 8.270 nan 0.000 0.438 287 D N -0.292 119.784 120.400 -0.540 0.000 2.596 287 D HA 0.597 5.237 4.640 -0.000 0.000 0.234 287 D C -1.423 174.776 176.300 -0.167 0.000 1.181 287 D CA -0.267 53.547 54.000 -0.309 0.000 0.856 287 D CB 2.414 43.145 40.800 -0.115 0.000 1.498 287 D HN 0.401 nan 8.370 nan 0.000 0.446 288 S N -0.318 115.305 115.700 -0.129 0.000 2.627 288 S HA 0.735 5.205 4.470 -0.000 0.000 0.283 288 S C -1.062 173.462 174.600 -0.126 0.000 1.127 288 S CA -0.735 57.389 58.200 -0.126 0.000 0.863 288 S CB 1.736 64.867 63.200 -0.114 0.000 1.121 288 S HN 0.483 nan 8.310 nan 0.000 0.479 289 V N -0.642 119.175 119.914 -0.162 0.000 2.656 289 V HA 0.862 4.982 4.120 -0.000 0.000 0.307 289 V C -0.915 175.009 176.094 -0.284 0.000 1.051 289 V CA -0.737 61.404 62.300 -0.264 0.000 0.893 289 V CB 1.376 32.965 31.823 -0.390 0.000 0.999 289 V HN 0.564 nan 8.190 nan 0.000 0.426 290 V N 5.148 124.914 119.914 -0.247 0.000 2.370 290 V HA 0.532 4.652 4.120 -0.000 0.000 0.279 290 V C -0.377 175.634 176.094 -0.139 0.000 1.029 290 V CA -0.148 62.092 62.300 -0.100 0.000 0.870 290 V CB 0.914 32.768 31.823 0.053 0.000 0.984 290 V HN 0.778 nan 8.190 nan 0.000 0.451 291 F N 3.532 123.538 119.950 0.094 0.000 2.422 291 F HA 0.609 5.136 4.527 0.000 0.000 0.333 291 F C 0.580 176.303 175.800 -0.128 0.000 1.095 291 F CA -0.521 57.526 58.000 0.079 0.000 1.038 291 F CB 1.359 40.388 39.000 0.048 0.000 1.156 291 F HN 0.338 nan 8.300 nan 0.000 0.483 292 R N 2.042 122.457 120.500 -0.143 0.000 2.346 292 R HA 0.585 4.925 4.340 -0.000 0.000 0.311 292 R C -1.396 174.849 176.300 -0.091 0.000 0.983 292 R CA -0.629 55.175 56.100 -0.493 0.000 0.880 292 R CB 1.199 30.644 30.300 -1.425 0.000 1.100 292 R HN 0.545 nan 8.270 nan 0.000 0.453 293 V N 4.070 123.904 119.914 -0.133 0.000 2.572 293 V HA 0.173 4.293 4.120 -0.000 0.000 0.291 293 V C 0.664 176.680 176.094 -0.130 0.000 1.039 293 V CA -0.358 61.900 62.300 -0.069 0.000 1.055 293 V CB 0.936 32.724 31.823 -0.059 0.000 0.969 293 V HN 0.935 nan 8.190 nan 0.000 0.482 294 A N 8.835 131.642 122.820 -0.021 0.000 2.488 294 A HA 0.504 4.824 4.320 -0.000 0.000 0.249 294 A C -1.760 175.656 177.584 -0.279 0.000 1.083 294 A CA -0.921 51.016 52.037 -0.167 0.000 0.768 294 A CB -0.164 18.945 19.000 0.182 0.000 1.017 294 A HN 0.707 nan 8.150 nan 0.000 0.496 295 P HA 0.131 nan 4.420 nan 0.000 0.278 295 P C -0.793 176.439 177.300 -0.114 0.000 1.258 295 P CA -0.542 62.397 63.100 -0.268 0.000 0.811 295 P CB 0.603 32.030 31.700 -0.456 0.000 1.063 296 W N 3.226 124.410 121.300 -0.193 0.000 2.304 296 W HA 0.408 5.068 4.660 0.000 0.000 0.313 296 W C -0.906 175.397 176.519 -0.360 0.000 1.323 296 W CA 0.173 57.360 57.345 -0.264 0.000 1.223 296 W CB -0.077 29.130 29.460 -0.421 0.000 1.237 296 W HN 0.159 nan 8.180 nan 0.000 0.535 297 I N 8.152 128.064 120.570 -1.096 0.000 2.465 297 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 297 I C 0.267 175.667 176.117 -1.194 0.000 1.014 297 I CA -1.020 59.657 61.300 -1.039 0.000 1.093 297 I CB 1.596 38.977 38.000 -1.032 0.000 1.267 297 I HN 0.289 nan 8.210 nan 0.000 0.431 298 M N 3.834 122.958 119.600 -0.793 0.000 2.368 298 M HA 0.409 4.889 4.480 -0.000 0.000 0.311 298 M C -0.124 176.132 176.300 -0.075 0.000 1.168 298 M CA -0.446 54.562 55.300 -0.488 0.000 1.044 298 M CB 1.796 34.222 32.600 -0.290 0.000 1.506 298 M HN 0.606 nan 8.290 nan 0.000 0.475 299 T N -0.235 114.307 114.554 -0.020 0.000 2.786 299 T HA 0.628 4.978 4.350 -0.000 0.000 0.283 299 T C -2.656 172.026 174.700 -0.029 0.000 0.992 299 T CA -1.761 60.318 62.100 -0.035 0.000 0.954 299 T CB 1.098 69.914 68.868 -0.087 0.000 0.934 299 T HN 0.340 nan 8.240 nan 0.000 0.440 300 P HA 0.309 nan 4.420 nan 0.000 0.275 300 P C 0.329 177.614 177.300 -0.026 0.000 1.266 300 P CA -0.556 62.520 63.100 -0.041 0.000 0.793 300 P CB 0.767 32.403 31.700 -0.106 0.000 1.074 301 N N -0.723 117.993 118.700 0.026 0.000 2.520 301 N HA -0.080 4.660 4.740 -0.000 0.000 0.185 301 N C 1.387 176.923 175.510 0.043 0.000 1.068 301 N CA 1.308 54.400 53.050 0.070 0.000 0.911 301 N CB -0.841 37.727 38.487 0.134 0.000 0.961 301 N HN 0.552 nan 8.380 nan 0.000 0.446 302 T N -2.971 111.586 114.554 0.005 0.000 3.065 302 T HA 0.115 4.465 4.350 -0.000 0.000 0.252 302 T C 0.741 175.420 174.700 -0.036 0.000 1.099 302 T CA 0.015 62.124 62.100 0.014 0.000 1.063 302 T CB 0.270 69.156 68.868 0.029 0.000 0.948 302 T HN -0.110 nan 8.240 nan 0.000 0.506 303 Q N 2.605 122.337 119.800 -0.113 0.000 2.288 303 Q HA 0.340 4.680 4.340 -0.000 0.000 0.254 303 Q C -2.647 173.292 176.000 -0.101 0.000 0.932 303 Q CA -2.552 53.140 55.803 -0.186 0.000 0.902 303 Q CB 1.009 29.525 28.738 -0.370 0.000 1.203 303 Q HN 0.225 nan 8.270 nan 0.000 0.415 304 P HA 0.046 nan 4.420 nan 0.000 0.265 304 P C -2.369 174.911 177.300 -0.033 0.000 1.193 304 P CA -0.770 62.306 63.100 -0.041 0.000 0.765 304 P CB -0.002 31.674 31.700 -0.039 0.000 0.823 305 P HA 0.157 nan 4.420 nan 0.000 0.278 305 P C -0.207 177.097 177.300 0.007 0.000 1.238 305 P CA 0.070 63.178 63.100 0.015 0.000 0.794 305 P CB 1.384 33.104 31.700 0.034 0.000 0.955 306 Q N 0.393 120.202 119.800 0.014 0.000 2.422 306 Q HA 0.163 4.503 4.340 -0.000 0.000 0.255 306 Q C 0.251 176.252 176.000 0.001 0.000 0.864 306 Q CA 0.284 56.090 55.803 0.005 0.000 0.968 306 Q CB 1.141 29.881 28.738 0.003 0.000 1.130 306 Q HN 0.577 nan 8.270 nan 0.000 0.556 307 E N 0.284 120.489 120.200 0.009 0.000 2.321 307 E HA 0.371 4.721 4.350 -0.000 0.000 0.281 307 E C -1.731 174.797 176.600 -0.121 0.000 0.910 307 E CA -0.437 55.913 56.400 -0.084 0.000 0.770 307 E CB 2.206 31.847 29.700 -0.098 0.000 1.225 307 E HN -0.138 nan 8.360 nan 0.000 0.417 308 V N 4.063 123.856 119.914 -0.201 0.000 2.581 308 V HA 0.474 4.593 4.120 -0.000 0.000 0.303 308 V C -1.130 174.820 176.094 -0.241 0.000 1.041 308 V CA -0.530 61.708 62.300 -0.105 0.000 0.907 308 V CB 1.165 32.960 31.823 -0.046 0.000 0.994 308 V HN 0.561 nan 8.190 nan 0.000 0.442 309 Y N 2.076 122.419 120.300 0.072 0.000 2.409 309 Y HA 0.828 5.378 4.550 -0.000 0.000 0.343 309 Y C 0.277 176.186 175.900 0.014 0.000 0.973 309 Y CA -0.593 57.551 58.100 0.073 0.000 1.064 309 Y CB 2.170 40.707 38.460 0.130 0.000 1.207 309 Y HN 0.782 nan 8.280 nan 0.000 0.452 310 A N 0.793 123.686 122.820 0.121 0.000 2.572 310 A HA 0.707 5.026 4.320 -0.000 0.000 0.295 310 A C -1.152 176.408 177.584 -0.040 0.000 1.072 310 A CA -0.752 51.317 52.037 0.054 0.000 0.691 310 A CB 0.814 19.862 19.000 0.080 0.000 1.291 310 A HN 1.141 nan 8.150 nan 0.000 0.404 311 C N 0.796 120.030 119.300 -0.110 0.000 3.335 311 C HA 0.666 5.125 4.460 -0.000 0.000 0.217 311 C C 0.740 175.605 174.990 -0.208 0.000 1.330 311 C CA 0.038 58.937 59.018 -0.199 0.000 1.470 311 C CB -0.931 26.605 27.740 -0.340 0.000 1.806 311 C HN 0.896 nan 8.230 nan 0.000 0.468 312 S N 0.120 115.801 115.700 -0.031 0.000 2.554 312 S HA 0.296 4.765 4.470 -0.000 0.000 0.226 312 S C 0.375 175.105 174.600 0.217 0.000 0.980 312 S CA -0.205 58.059 58.200 0.107 0.000 0.939 312 S CB -0.087 63.320 63.200 0.346 0.000 0.832 312 S HN 0.678 nan 8.310 nan 0.000 0.486 313 I N 4.648 125.283 120.570 0.108 0.000 2.453 313 I HA 0.298 4.468 4.170 -0.000 0.000 0.300 313 I C 0.115 176.360 176.117 0.214 0.000 1.159 313 I CA 0.217 61.600 61.300 0.138 0.000 1.379 313 I CB -1.912 36.130 38.000 0.069 0.000 1.460 313 I HN 0.489 nan 8.210 nan 0.000 0.601 314 F N 2.651 122.576 119.950 -0.043 0.000 3.698 314 F HA 0.344 4.871 4.527 -0.000 0.000 0.330 314 F C 1.441 177.204 175.800 -0.061 0.000 1.176 314 F CA -0.870 57.085 58.000 -0.075 0.000 0.899 314 F CB 0.865 39.782 39.000 -0.137 0.000 1.645 314 F HN 0.134 nan 8.300 nan 0.000 0.522 315 E N 0.858 120.624 120.200 -0.724 0.000 2.136 315 E HA -0.227 4.123 4.350 -0.000 0.000 0.202 315 E C -0.382 176.041 176.600 -0.295 0.000 1.019 315 E CA 1.845 57.919 56.400 -0.542 0.000 0.819 315 E CB -0.114 29.175 29.700 -0.685 0.000 0.739 315 E HN 0.419 nan 8.360 nan 0.000 0.458 316 N N -0.317 118.233 118.700 -0.249 0.000 2.354 316 N HA 0.102 4.841 4.740 -0.000 0.000 0.287 316 N C -0.705 174.929 175.510 0.207 0.000 1.016 316 N CA -0.185 52.871 53.050 0.009 0.000 0.871 316 N CB 1.898 40.385 38.487 0.000 0.000 1.299 316 N HN 0.030 nan 8.380 nan 0.000 0.482 317 E N 0.122 120.421 120.200 0.165 0.000 2.431 317 E HA 0.080 4.430 4.350 -0.000 0.000 0.200 317 E C 0.343 177.048 176.600 0.176 0.000 0.995 317 E CA 0.368 56.869 56.400 0.167 0.000 0.915 317 E CB 0.489 30.251 29.700 0.102 0.000 0.930 317 E HN 0.450 nan 8.360 nan 0.000 0.496 318 D N 0.165 120.681 120.400 0.192 0.000 2.162 318 D HA -0.116 4.523 4.640 -0.000 0.000 0.203 318 D C 1.619 178.044 176.300 0.208 0.000 0.967 318 D CA 0.526 54.629 54.000 0.172 0.000 0.840 318 D CB -0.207 40.695 40.800 0.170 0.000 0.972 318 D HN 0.125 nan 8.370 nan 0.000 0.482 319 F N 2.004 122.045 119.950 0.151 0.000 2.043 319 F HA -0.227 4.299 4.527 -0.000 0.000 0.297 319 F C 2.257 178.114 175.800 0.096 0.000 1.118 319 F CA 1.295 59.383 58.000 0.148 0.000 1.202 319 F CB -0.469 38.686 39.000 0.257 0.000 0.965 319 F HN -0.114 nan 8.300 nan 0.000 0.482 320 L N 0.363 121.740 121.223 0.256 0.000 2.127 320 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 320 L C 2.565 179.430 176.870 -0.008 0.000 1.089 320 L CA 1.680 56.582 54.840 0.104 0.000 0.757 320 L CB -0.570 41.610 42.059 0.201 0.000 0.899 320 L HN 0.214 nan 8.230 nan 0.000 0.434 321 K N -0.849 119.566 120.400 0.024 0.000 2.057 321 K HA -0.152 4.167 4.320 -0.000 0.000 0.207 321 K C 2.091 178.659 176.600 -0.052 0.000 1.049 321 K CA 1.677 57.963 56.287 -0.001 0.000 0.931 321 K CB 0.020 32.538 32.500 0.030 0.000 0.714 321 K HN 0.329 nan 8.250 nan 0.000 0.440 322 S N 0.522 116.169 115.700 -0.087 0.000 2.355 322 S HA -0.138 4.331 4.470 -0.000 0.000 0.222 322 S C 1.961 176.450 174.600 -0.185 0.000 1.031 322 S CA 1.361 59.485 58.200 -0.127 0.000 0.993 322 S CB -0.276 62.843 63.200 -0.134 0.000 0.859 322 S HN 0.410 nan 8.310 nan 0.000 0.453 323 V N 1.521 121.264 119.914 -0.285 0.000 2.427 323 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 323 V C 1.919 177.923 176.094 -0.150 0.000 1.051 323 V CA 2.352 64.501 62.300 -0.251 0.000 1.048 323 V CB -1.497 30.130 31.823 -0.328 0.000 0.666 323 V HN 0.451 nan 8.190 nan 0.000 0.456 324 T N 0.755 115.238 114.554 -0.117 0.000 2.746 324 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 324 T C 1.888 176.538 174.700 -0.083 0.000 1.039 324 T CA 2.331 64.384 62.100 -0.078 0.000 1.142 324 T CB -0.648 68.192 68.868 -0.047 0.000 0.866 324 T HN 0.697 nan 8.240 nan 0.000 0.444 325 T N 2.406 116.907 114.554 -0.088 0.000 2.777 325 T HA 0.076 4.425 4.350 -0.000 0.000 0.266 325 T C 1.993 176.612 174.700 -0.136 0.000 1.040 325 T CA 0.753 62.797 62.100 -0.094 0.000 1.141 325 T CB -0.403 68.419 68.868 -0.077 0.000 0.868 325 T HN 0.246 nan 8.240 nan 0.000 0.444 326 L N 0.689 121.825 121.223 -0.144 0.000 2.046 326 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 326 L C 3.092 179.861 176.870 -0.168 0.000 1.077 326 L CA 1.302 56.038 54.840 -0.174 0.000 0.747 326 L CB -0.756 41.227 42.059 -0.126 0.000 0.896 326 L HN 0.267 nan 8.230 nan 0.000 0.432 327 A N -0.173 122.576 122.820 -0.119 0.000 1.865 327 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 327 A C 2.328 179.853 177.584 -0.098 0.000 1.191 327 A CA 1.720 53.702 52.037 -0.092 0.000 0.623 327 A CB -0.478 18.476 19.000 -0.077 0.000 0.826 327 A HN 0.278 nan 8.150 nan 0.000 0.444 328 M N -0.551 118.989 119.600 -0.100 0.000 2.073 328 M HA -0.216 4.263 4.480 -0.000 0.000 0.258 328 M C 2.169 178.398 176.300 -0.119 0.000 1.070 328 M CA 1.980 57.227 55.300 -0.089 0.000 1.103 328 M CB -0.892 31.662 32.600 -0.076 0.000 1.321 328 M HN 0.420 nan 8.290 nan 0.000 0.405 329 K N -0.000 120.278 120.400 -0.203 0.000 2.044 329 K HA -0.137 4.182 4.320 -0.000 0.000 0.210 329 K C 1.685 178.122 176.600 -0.271 0.000 1.049 329 K CA 1.663 57.747 56.287 -0.339 0.000 0.927 329 K CB -0.248 31.831 32.500 -0.702 0.000 0.713 329 K HN 0.334 nan 8.250 nan 0.000 0.443 330 A N 0.898 123.598 122.820 -0.200 0.000 2.302 330 A HA 0.022 4.342 4.320 -0.000 0.000 0.219 330 A C -0.067 177.518 177.584 0.000 0.000 1.243 330 A CA 0.206 52.240 52.037 -0.006 0.000 0.856 330 A CB -0.211 18.814 19.000 0.041 0.000 0.893 330 A HN 0.317 nan 8.150 nan 0.000 0.491 331 K N -2.038 118.345 120.400 -0.028 0.000 3.129 331 K HA -0.166 4.154 4.320 -0.000 0.000 0.273 331 K C -0.435 176.153 176.600 -0.019 0.000 1.123 331 K CA 0.826 57.102 56.287 -0.017 0.000 0.800 331 K CB -3.203 29.296 32.500 -0.001 0.000 1.238 331 K HN 0.499 nan 8.250 nan 0.000 0.492 332 C N 1.006 120.288 119.300 -0.030 0.000 2.358 332 C HA 0.353 4.812 4.460 -0.000 0.000 0.342 332 C C 1.069 176.034 174.990 -0.043 0.000 1.234 332 C CA -1.044 57.955 59.018 -0.032 0.000 1.969 332 C CB 1.070 28.790 27.740 -0.034 0.000 2.346 332 C HN 0.479 nan 8.230 nan 0.000 0.525 333 K N 2.001 122.375 120.400 -0.043 0.000 2.440 333 K HA 0.287 4.607 4.320 -0.000 0.000 0.270 333 K C -0.679 175.863 176.600 -0.096 0.000 0.980 333 K CA 0.007 56.261 56.287 -0.055 0.000 0.953 333 K CB 0.305 32.779 32.500 -0.043 0.000 0.925 333 K HN 0.603 nan 8.250 nan 0.000 0.497 334 L N 3.926 125.096 121.223 -0.089 0.000 2.381 334 L HA 0.422 4.762 4.340 -0.000 0.000 0.274 334 L C -1.217 175.596 176.870 -0.096 0.000 0.988 334 L CA -0.147 54.629 54.840 -0.108 0.000 0.824 334 L CB 1.384 43.404 42.059 -0.065 0.000 1.263 334 L HN 0.959 nan 8.230 nan 0.000 0.410 335 T N 4.520 118.989 114.554 -0.142 0.000 2.861 335 T HA 0.747 5.097 4.350 -0.000 0.000 0.287 335 T C -0.659 174.087 174.700 0.076 0.000 1.003 335 T CA -0.470 61.625 62.100 -0.008 0.000 0.977 335 T CB 1.480 70.383 68.868 0.057 0.000 0.996 335 T HN 0.492 nan 8.240 nan 0.000 0.448 336 I N 2.738 123.368 120.570 0.099 0.000 2.545 336 I HA 0.479 4.649 4.170 -0.000 0.000 0.292 336 I C -0.301 175.852 176.117 0.060 0.000 1.040 336 I CA -0.994 60.341 61.300 0.060 0.000 1.068 336 I CB 2.066 40.092 38.000 0.043 0.000 1.251 336 I HN 0.822 nan 8.210 nan 0.000 0.424 337 C N 9.012 128.271 119.300 -0.069 0.000 2.281 337 C HA 0.620 5.080 4.460 -0.000 0.000 0.325 337 C C -2.243 172.709 174.990 -0.064 0.000 1.282 337 C CA -1.951 57.001 59.018 -0.110 0.000 1.640 337 C CB 0.637 28.063 27.740 -0.524 0.000 2.288 337 C HN 0.468 nan 8.230 nan 0.000 0.507 338 P HA 0.187 nan 4.420 nan 0.000 0.276 338 P C 0.414 177.717 177.300 0.006 0.000 1.252 338 P CA 0.116 63.227 63.100 0.017 0.000 0.802 338 P CB 0.595 32.319 31.700 0.039 0.000 1.035 339 E N 0.808 121.023 120.200 0.025 0.000 2.160 339 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 339 E C 0.924 177.535 176.600 0.018 0.000 0.991 339 E CA 1.422 57.839 56.400 0.029 0.000 0.810 339 E CB -0.674 29.060 29.700 0.057 0.000 0.742 339 E HN 0.380 nan 8.360 nan 0.000 0.466 340 E N 1.074 121.288 120.200 0.022 0.000 2.265 340 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 340 E C 1.579 178.192 176.600 0.021 0.000 0.996 340 E CA 1.542 57.954 56.400 0.021 0.000 0.832 340 E CB -0.010 29.704 29.700 0.023 0.000 0.756 340 E HN 0.550 nan 8.360 nan 0.000 0.491 341 E N -0.328 119.887 120.200 0.024 0.000 2.290 341 E HA 0.088 4.438 4.350 -0.000 0.000 0.199 341 E C 1.488 178.095 176.600 0.011 0.000 0.912 341 E CA -0.022 56.400 56.400 0.036 0.000 0.924 341 E CB 0.107 29.853 29.700 0.077 0.000 0.901 341 E HN 0.097 nan 8.360 nan 0.000 0.487 342 N N 1.299 119.983 118.700 -0.027 0.000 2.094 342 N HA -0.145 4.595 4.740 -0.000 0.000 0.191 342 N C 0.491 175.975 175.510 -0.042 0.000 1.023 342 N CA 1.009 54.016 53.050 -0.072 0.000 0.857 342 N CB -0.096 38.328 38.487 -0.105 0.000 1.013 342 N HN 0.116 nan 8.380 nan 0.000 0.426 343 M N 0.221 119.812 119.600 -0.015 0.000 2.393 343 M HA -0.221 4.258 4.480 -0.000 0.000 0.201 343 M C -0.573 175.725 176.300 -0.002 0.000 0.403 343 M CA 0.463 55.761 55.300 -0.003 0.000 0.471 343 M CB -2.367 30.232 32.600 -0.001 0.000 1.669 343 M HN 0.246 nan 8.290 nan 0.000 0.864 344 D N -1.249 119.149 120.400 -0.003 0.000 3.090 344 D HA -0.154 4.486 4.640 -0.000 0.000 0.215 344 D C 0.079 176.348 176.300 -0.051 0.000 1.140 344 D CA 1.575 55.589 54.000 0.023 0.000 0.937 344 D CB -0.709 40.124 40.800 0.055 0.000 1.108 344 D HN 0.733 nan 8.370 nan 0.000 0.420 345 D N 1.407 121.741 120.400 -0.111 0.000 2.396 345 D HA 0.108 4.748 4.640 -0.000 0.000 0.225 345 D C 1.467 177.548 176.300 -0.366 0.000 1.121 345 D CA -0.168 53.743 54.000 -0.149 0.000 0.853 345 D CB 0.564 41.334 40.800 -0.049 0.000 1.043 345 D HN 0.239 nan 8.370 nan 0.000 0.500 346 Q N 2.859 122.232 119.800 -0.711 0.000 2.360 346 Q HA 0.012 4.352 4.340 -0.000 0.000 0.202 346 Q C -0.305 175.268 176.000 -0.711 0.000 0.915 346 Q CA -0.222 54.982 55.803 -0.999 0.000 0.943 346 Q CB -0.039 27.665 28.738 -1.724 0.000 1.064 346 Q HN 0.459 nan 8.270 nan 0.000 0.511 347 W N 1.630 122.864 121.300 -0.109 0.000 1.738 347 W HA 0.327 4.986 4.660 -0.000 0.000 0.399 347 W C 0.980 177.471 176.519 -0.048 0.000 0.744 347 W CA -0.906 56.426 57.345 -0.021 0.000 1.695 347 W CB 0.440 29.904 29.460 0.007 0.000 1.820 347 W HN 0.135 nan 8.180 nan 0.000 0.262 348 M N 1.509 121.146 119.600 0.061 0.000 2.346 348 M HA -0.252 4.227 4.480 -0.000 0.000 0.263 348 M C 2.291 178.619 176.300 0.045 0.000 1.064 348 M CA 1.872 57.170 55.300 -0.002 0.000 1.083 348 M CB -0.281 32.302 32.600 -0.028 0.000 1.399 348 M HN 0.321 nan 8.290 nan 0.000 0.435 349 Q N 0.046 119.904 119.800 0.096 0.000 2.226 349 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 349 Q C 1.115 177.161 176.000 0.077 0.000 0.975 349 Q CA 2.007 57.842 55.803 0.054 0.000 0.866 349 Q CB -0.177 28.585 28.738 0.040 0.000 0.915 349 Q HN 0.537 nan 8.270 nan 0.000 0.440 350 D N -0.982 119.466 120.400 0.080 0.000 2.338 350 D HA -0.029 4.610 4.640 -0.000 0.000 0.208 350 D C 1.036 177.234 176.300 -0.169 0.000 0.997 350 D CA 0.485 54.487 54.000 0.003 0.000 0.880 350 D CB 0.128 40.964 40.800 0.060 0.000 0.980 350 D HN 0.292 nan 8.370 nan 0.000 0.509 351 E N 0.167 120.289 120.200 -0.131 0.000 2.478 351 E HA 0.053 4.403 4.350 -0.000 0.000 0.194 351 E C 0.549 176.985 176.600 -0.274 0.000 1.045 351 E CA 0.169 56.428 56.400 -0.235 0.000 0.868 351 E CB 0.184 29.823 29.700 -0.102 0.000 0.885 351 E HN 0.276 nan 8.360 nan 0.000 0.505 352 M N -1.628 117.919 119.600 -0.089 0.000 2.682 352 M HA 0.573 5.053 4.480 -0.000 0.000 0.272 352 M C -1.769 174.727 176.300 0.326 0.000 1.232 352 M CA -0.974 54.384 55.300 0.096 0.000 0.849 352 M CB 2.103 34.729 32.600 0.043 0.000 1.695 352 M HN -0.231 nan 8.290 nan 0.000 0.481 353 E N 1.905 122.344 120.200 0.397 0.000 2.263 353 E HA 0.564 4.914 4.350 -0.000 0.000 0.268 353 E C -1.923 174.965 176.600 0.480 0.000 0.884 353 E CA -0.522 56.103 56.400 0.374 0.000 0.766 353 E CB 1.676 31.548 29.700 0.287 0.000 1.196 353 E HN 0.699 nan 8.360 nan 0.000 0.416 354 I N 4.435 125.236 120.570 0.385 0.000 2.297 354 I HA 0.525 4.695 4.170 -0.000 0.000 0.291 354 I C 0.831 177.158 176.117 0.349 0.000 1.033 354 I CA -0.201 61.355 61.300 0.427 0.000 1.253 354 I CB 0.403 38.634 38.000 0.384 0.000 1.396 354 I HN 0.626 nan 8.210 nan 0.000 0.476 355 G N 6.261 115.289 108.800 0.380 0.000 3.122 355 G HA2 0.713 4.673 3.960 -0.000 0.000 0.180 355 G HA3 0.713 4.673 3.960 -0.000 0.000 0.180 355 G C -1.316 173.609 174.900 0.043 0.000 1.279 355 G CA -0.309 44.703 45.100 -0.147 0.000 0.987 355 G HN 0.550 nan 8.290 nan 0.000 0.589 356 Y N -1.660 118.465 120.300 -0.292 0.000 2.670 356 Y HA 0.740 5.290 4.550 -0.001 0.000 0.334 356 Y C -0.862 175.031 175.900 -0.013 0.000 1.185 356 Y CA -1.747 56.310 58.100 -0.071 0.000 1.053 356 Y CB 1.162 39.588 38.460 -0.055 0.000 1.298 356 Y HN 0.737 nan 8.280 nan 0.000 0.459 357 I N 0.195 120.905 120.570 0.232 0.000 2.689 357 I HA 0.719 4.889 4.170 -0.000 0.000 0.299 357 I C -1.469 174.873 176.117 0.374 0.000 1.059 357 I CA -1.045 60.386 61.300 0.218 0.000 1.055 357 I CB 2.476 40.635 38.000 0.266 0.000 1.243 357 I HN 0.845 nan 8.210 nan 0.000 0.425 358 Q N 4.053 124.125 119.800 0.453 0.000 2.263 358 Q HA 0.765 5.105 4.340 -0.000 0.000 0.266 358 Q C -2.000 174.409 176.000 0.682 0.000 1.002 358 Q CA -0.586 55.547 55.803 0.550 0.000 0.790 358 Q CB 2.352 31.505 28.738 0.692 0.000 1.272 358 Q HN 1.036 nan 8.270 nan 0.000 0.435 359 A N 4.059 127.096 122.820 0.362 0.000 2.430 359 A HA 0.739 5.059 4.320 -0.000 0.000 0.300 359 A C -2.386 175.284 177.584 0.143 0.000 1.124 359 A CA -1.611 50.561 52.037 0.225 0.000 0.766 359 A CB 1.174 20.093 19.000 -0.135 0.000 1.328 359 A HN 0.666 nan 8.150 nan 0.000 0.424 360 P HA -0.170 nan 4.420 nan 0.000 0.219 360 P C 0.764 178.146 177.300 0.136 0.000 1.146 360 P CA 1.812 64.996 63.100 0.141 0.000 0.808 360 P CB -0.084 31.609 31.700 -0.012 0.000 0.779 361 H N -2.348 116.780 119.070 0.097 0.000 2.592 361 H HA 0.387 4.943 4.556 -0.001 0.000 0.265 361 H C 0.259 175.651 175.328 0.106 0.000 0.955 361 H CA 0.309 56.410 56.048 0.089 0.000 1.175 361 H CB 0.263 30.071 29.762 0.077 0.000 1.433 361 H HN -0.069 nan 8.280 nan 0.000 0.537 362 K N 0.844 121.108 120.400 -0.227 0.000 2.584 362 K HA 0.269 4.589 4.320 -0.000 0.000 0.260 362 K C -1.777 174.805 176.600 -0.031 0.000 0.949 362 K CA -0.140 56.079 56.287 -0.113 0.000 0.888 362 K CB 1.677 34.108 32.500 -0.116 0.000 1.330 362 K HN 0.071 nan 8.250 nan 0.000 0.432 363 T N 4.634 119.216 114.554 0.047 0.000 2.861 363 T HA 0.784 5.134 4.350 -0.000 0.000 0.287 363 T C -1.080 173.664 174.700 0.075 0.000 1.003 363 T CA -0.763 61.399 62.100 0.104 0.000 0.977 363 T CB 0.531 69.450 68.868 0.085 0.000 0.996 363 T HN 0.540 nan 8.240 nan 0.000 0.448 364 L N 0.909 122.200 121.223 0.113 0.000 2.465 364 L HA 0.847 5.187 4.340 -0.000 0.000 0.257 364 L C -3.098 173.808 176.870 0.059 0.000 0.988 364 L CA -2.738 52.134 54.840 0.053 0.000 0.827 364 L CB 1.988 44.091 42.059 0.073 0.000 1.397 364 L HN 0.269 nan 8.230 nan 0.000 0.410 365 P HA 0.317 nan 4.420 nan 0.000 0.274 365 P C -1.067 176.239 177.300 0.010 0.000 1.231 365 P CA -0.304 62.675 63.100 -0.201 0.000 0.790 365 P CB 1.758 32.991 31.700 -0.778 0.000 0.951 366 V N 2.109 122.218 119.914 0.325 0.000 2.612 366 V HA 0.149 4.269 4.120 -0.000 0.000 0.301 366 V C -0.076 176.422 176.094 0.673 0.000 1.059 366 V CA -0.830 61.803 62.300 0.556 0.000 0.886 366 V CB 2.228 34.397 31.823 0.577 0.000 1.007 366 V HN 0.253 nan 8.190 nan 0.000 0.426 367 V N 4.441 124.685 119.914 0.550 0.000 2.432 367 V HA 0.360 4.480 4.120 -0.000 0.000 0.271 367 V C -0.126 176.027 176.094 0.100 0.000 1.046 367 V CA -0.365 62.143 62.300 0.348 0.000 0.945 367 V CB 0.805 32.714 31.823 0.142 0.000 0.992 367 V HN 0.664 nan 8.190 nan 0.000 0.471 368 F N 4.873 124.745 119.950 -0.131 0.000 2.421 368 F HA 0.410 4.937 4.527 -0.000 0.000 0.358 368 F C 0.204 175.915 175.800 -0.147 0.000 1.115 368 F CA -1.494 56.218 58.000 -0.482 0.000 1.160 368 F CB 0.612 39.056 39.000 -0.926 0.000 1.123 368 F HN 0.621 nan 8.300 nan 0.000 0.508 369 D N 4.210 124.500 120.400 -0.183 0.000 2.295 369 D HA 0.077 4.716 4.640 -0.000 0.000 0.248 369 D C -0.331 175.676 176.300 -0.489 0.000 1.154 369 D CA 0.146 53.988 54.000 -0.264 0.000 0.857 369 D CB 1.254 41.934 40.800 -0.201 0.000 1.117 369 D HN 0.468 nan 8.370 nan 0.000 0.468 370 S N 4.095 119.323 115.700 -0.787 0.000 2.564 370 S HA 0.226 4.696 4.470 -0.000 0.000 0.278 370 S C -1.492 172.765 174.600 -0.572 0.000 1.333 370 S CA -1.158 56.348 58.200 -1.157 0.000 1.048 370 S CB 1.101 63.322 63.200 -1.631 0.000 0.900 370 S HN 0.396 nan 8.310 nan 0.000 0.505 371 P HA -0.062 nan 4.420 nan 0.000 0.239 371 P C 1.279 178.433 177.300 -0.244 0.000 1.184 371 P CA 0.257 63.189 63.100 -0.281 0.000 0.760 371 P CB 0.011 31.561 31.700 -0.250 0.000 0.884 372 R N 1.498 121.813 120.500 -0.308 0.000 2.189 372 R HA -0.230 4.110 4.340 -0.000 0.000 0.252 372 R C 0.383 176.595 176.300 -0.146 0.000 1.134 372 R CA 2.063 58.031 56.100 -0.221 0.000 0.954 372 R CB -0.919 29.228 30.300 -0.255 0.000 0.890 372 R HN 0.064 nan 8.270 nan 0.000 0.443 373 N N 0.343 118.957 118.700 -0.144 0.000 2.714 373 N HA -0.194 4.546 4.740 -0.000 0.000 0.252 373 N C -0.680 174.796 175.510 -0.056 0.000 1.014 373 N CA 1.398 54.395 53.050 -0.089 0.000 0.735 373 N CB -0.865 37.573 38.487 -0.081 0.000 0.924 373 N HN 0.430 nan 8.380 nan 0.000 0.540 374 R N -0.418 120.054 120.500 -0.046 0.000 2.523 374 R HA 0.462 4.802 4.340 -0.000 0.000 0.216 374 R C 2.002 178.297 176.300 -0.008 0.000 1.279 374 R CA -0.073 56.017 56.100 -0.016 0.000 1.015 374 R CB -0.381 29.923 30.300 0.008 0.000 1.756 374 R HN 0.155 nan 8.270 nan 0.000 0.528 375 G N 0.723 109.525 108.800 0.003 0.000 2.475 375 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.220 375 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.220 375 G C 0.923 175.817 174.900 -0.010 0.000 1.125 375 G CA 0.679 45.776 45.100 -0.005 0.000 0.755 375 G HN 0.102 nan 8.290 nan 0.000 0.565 376 L N 1.534 122.748 121.223 -0.016 0.000 2.675 376 L HA 0.131 4.471 4.340 -0.000 0.000 0.239 376 L C 2.679 179.573 176.870 0.040 0.000 1.151 376 L CA 0.589 55.426 54.840 -0.004 0.000 0.905 376 L CB -0.455 41.580 42.059 -0.039 0.000 1.057 376 L HN 0.463 nan 8.230 nan 0.000 0.435 377 K N -0.817 119.591 120.400 0.013 0.000 2.074 377 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 377 K C 1.051 177.671 176.600 0.033 0.000 1.048 377 K CA 1.361 57.651 56.287 0.005 0.000 0.926 377 K CB -0.142 32.349 32.500 -0.015 0.000 0.713 377 K HN 0.189 nan 8.250 nan 0.000 0.444 378 E N 0.211 120.439 120.200 0.047 0.000 2.358 378 E HA -0.048 4.302 4.350 -0.000 0.000 0.195 378 E C 1.631 178.268 176.600 0.062 0.000 1.010 378 E CA 0.265 56.686 56.400 0.035 0.000 0.856 378 E CB -0.336 29.378 29.700 0.025 0.000 0.795 378 E HN 0.335 nan 8.360 nan 0.000 0.504 379 F N 2.196 122.124 119.950 -0.036 0.000 2.095 379 F HA -0.104 4.422 4.527 -0.000 0.000 0.298 379 F C -0.900 174.873 175.800 -0.045 0.000 1.104 379 F CA 1.184 59.162 58.000 -0.037 0.000 1.232 379 F CB -1.105 37.873 39.000 -0.037 0.000 0.987 379 F HN 0.050 nan 8.300 nan 0.000 0.475 380 P HA -0.158 nan 4.420 nan 0.000 0.216 380 P C 2.012 179.251 177.300 -0.101 0.000 1.153 380 P CA 1.918 64.962 63.100 -0.094 0.000 0.848 380 P CB -0.063 31.705 31.700 0.114 0.000 0.787 381 I N -0.761 119.750 120.570 -0.099 0.000 2.163 381 I HA -0.218 3.952 4.170 -0.000 0.000 0.240 381 I C 2.287 178.272 176.117 -0.219 0.000 1.081 381 I CA 1.649 62.797 61.300 -0.254 0.000 1.353 381 I CB -0.367 37.488 38.000 -0.242 0.000 1.054 381 I HN -0.138 nan 8.210 nan 0.000 0.407 382 K N -0.309 119.984 120.400 -0.178 0.000 2.314 382 K HA 0.055 4.375 4.320 -0.000 0.000 0.198 382 K C 1.851 178.336 176.600 -0.192 0.000 1.045 382 K CA 0.554 56.753 56.287 -0.147 0.000 0.988 382 K CB 0.364 32.816 32.500 -0.079 0.000 0.783 382 K HN 0.117 nan 8.250 nan 0.000 0.484 383 R N -0.981 119.306 120.500 -0.354 0.000 2.412 383 R HA 0.140 4.480 4.340 -0.000 0.000 0.212 383 R C 1.825 177.814 176.300 -0.519 0.000 0.878 383 R CA 0.369 56.197 56.100 -0.454 0.000 1.022 383 R CB 0.283 30.154 30.300 -0.715 0.000 1.265 383 R HN -0.039 nan 8.270 nan 0.000 0.620 384 V N 2.124 121.663 119.914 -0.626 0.000 2.581 384 V HA 0.131 4.251 4.120 -0.000 0.000 0.240 384 V C 1.406 177.099 176.094 -0.668 0.000 1.054 384 V CA 0.626 62.498 62.300 -0.713 0.000 1.076 384 V CB -0.239 31.133 31.823 -0.752 0.000 0.748 384 V HN 0.225 nan 8.190 nan 0.000 0.474 385 M N 0.677 120.081 119.600 -0.328 0.000 2.243 385 M HA 0.607 5.087 4.480 -0.000 0.000 0.341 385 M C 0.138 176.418 176.300 -0.033 0.000 1.130 385 M CA 1.328 56.583 55.300 -0.075 0.000 1.162 385 M CB 0.756 33.389 32.600 0.054 0.000 1.497 385 M HN 0.226 nan 8.290 nan 0.000 0.456 386 G N 1.849 110.709 108.800 0.099 0.000 2.336 386 G HA2 0.338 4.298 3.960 -0.000 0.000 0.286 386 G HA3 0.338 4.298 3.960 -0.000 0.000 0.286 386 G C -3.438 171.551 174.900 0.149 0.000 1.269 386 G CA -1.140 44.013 45.100 0.089 0.000 0.873 386 G HN 0.512 nan 8.290 nan 0.000 0.494 387 P HA 0.266 nan 4.420 nan 0.000 0.258 387 P C -0.597 176.793 177.300 0.150 0.000 1.187 387 P CA 0.894 64.062 63.100 0.112 0.000 0.767 387 P CB 0.271 32.019 31.700 0.080 0.000 0.770 388 D N 0.711 121.196 120.400 0.140 0.000 2.945 388 D HA -0.229 4.410 4.640 -0.000 0.000 0.225 388 D C -0.658 175.732 176.300 0.151 0.000 1.158 388 D CA 1.195 55.269 54.000 0.123 0.000 0.805 388 D CB -1.624 39.220 40.800 0.074 0.000 1.098 388 D HN 0.412 nan 8.370 nan 0.000 0.426 389 F N 0.104 120.126 119.950 0.119 0.000 2.577 389 F HA 0.490 5.017 4.527 0.000 0.000 0.344 389 F C 1.012 176.915 175.800 0.172 0.000 1.145 389 F CA -0.532 57.556 58.000 0.147 0.000 0.996 389 F CB 1.236 40.312 39.000 0.127 0.000 1.248 389 F HN -0.090 nan 8.300 nan 0.000 0.447 390 G N 3.016 112.134 108.800 0.531 0.000 2.588 390 G HA2 0.250 4.210 3.960 -0.000 0.000 0.281 390 G HA3 0.250 4.210 3.960 -0.000 0.000 0.281 390 G C -2.288 172.903 174.900 0.483 0.000 1.236 390 G CA -0.227 45.138 45.100 0.441 0.000 0.969 390 G HN 0.605 nan 8.290 nan 0.000 0.504 391 Y N -0.492 119.960 120.300 0.253 0.000 2.396 391 Y HA 0.511 5.061 4.550 0.000 0.000 0.332 391 Y C -0.753 175.222 175.900 0.124 0.000 1.034 391 Y CA -0.814 57.380 58.100 0.158 0.000 1.057 391 Y CB 1.960 40.473 38.460 0.088 0.000 1.220 391 Y HN 0.488 nan 8.280 nan 0.000 0.440 392 V N 3.656 123.220 119.914 -0.583 0.000 2.876 392 V HA 0.798 4.918 4.120 -0.000 0.000 0.312 392 V C -0.485 175.146 176.094 -0.771 0.000 1.085 392 V CA -0.792 61.136 62.300 -0.621 0.000 0.945 392 V CB 1.630 32.870 31.823 -0.973 0.000 1.017 392 V HN 0.808 nan 8.190 nan 0.000 0.428 393 T N 2.561 116.832 114.554 -0.470 0.000 2.883 393 T HA 0.741 5.090 4.350 -0.000 0.000 0.301 393 T C -1.133 173.457 174.700 -0.183 0.000 1.158 393 T CA -0.601 61.365 62.100 -0.222 0.000 1.007 393 T CB 1.893 70.684 68.868 -0.128 0.000 1.186 393 T HN 0.730 nan 8.240 nan 0.000 0.499 394 R N 0.545 121.009 120.500 -0.059 0.000 2.817 394 R HA 0.802 5.142 4.340 -0.000 0.000 0.268 394 R C 0.117 176.336 176.300 -0.135 0.000 1.027 394 R CA 0.074 56.107 56.100 -0.113 0.000 0.928 394 R CB 1.150 31.378 30.300 -0.120 0.000 1.228 394 R HN 1.248 nan 8.270 nan 0.000 0.469 395 G N 1.419 110.113 108.800 -0.178 0.000 2.746 395 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.685 395 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.685 395 G C -2.696 172.029 174.900 -0.292 0.000 1.350 395 G CA -1.008 43.873 45.100 -0.365 0.000 0.837 395 G HN 0.438 nan 8.290 nan 0.000 0.564 396 P HA 0.259 nan 4.420 nan 0.000 0.276 396 P C 0.118 177.326 177.300 -0.153 0.000 1.230 396 P CA 0.014 62.999 63.100 -0.191 0.000 0.776 396 P CB 1.167 32.773 31.700 -0.156 0.000 0.888 397 Q N 1.192 120.930 119.800 -0.104 0.000 2.356 397 Q HA 0.043 4.382 4.340 -0.000 0.000 0.205 397 Q C 1.100 177.060 176.000 -0.068 0.000 0.901 397 Q CA 0.916 56.666 55.803 -0.088 0.000 0.938 397 Q CB 0.184 28.882 28.738 -0.066 0.000 1.081 397 Q HN 0.623 nan 8.270 nan 0.000 0.517 398 T N -3.382 111.137 114.554 -0.059 0.000 3.132 398 T HA 0.555 4.905 4.350 -0.000 0.000 0.274 398 T C 0.613 175.290 174.700 -0.039 0.000 1.011 398 T CA 0.227 62.301 62.100 -0.043 0.000 0.899 398 T CB 0.873 69.721 68.868 -0.033 0.000 1.089 398 T HN 0.233 nan 8.240 nan 0.000 0.543 399 G N -0.552 108.220 108.800 -0.046 0.000 2.352 399 G HA2 0.462 4.421 3.960 -0.000 0.000 0.283 399 G HA3 0.462 4.421 3.960 -0.000 0.000 0.283 399 G C 0.231 175.114 174.900 -0.029 0.000 1.308 399 G CA -0.034 45.046 45.100 -0.034 0.000 0.892 399 G HN 1.263 nan 8.290 nan 0.000 0.504 400 G N -1.323 107.474 108.800 -0.005 0.000 2.160 400 G HA2 0.099 4.058 3.960 -0.000 0.000 0.244 400 G HA3 0.099 4.058 3.960 -0.000 0.000 0.244 400 G C -0.009 174.932 174.900 0.069 0.000 1.022 400 G CA 1.140 46.261 45.100 0.034 0.000 0.741 400 G HN 1.489 nan 8.290 nan 0.000 0.508 401 I N 0.060 120.643 120.570 0.021 0.000 3.264 401 I HA 0.890 5.059 4.170 -0.000 0.000 0.309 401 I C 0.420 176.541 176.117 0.006 0.000 1.099 401 I CA -0.221 61.087 61.300 0.013 0.000 0.989 401 I CB 2.204 40.174 38.000 -0.051 0.000 1.250 401 I HN 0.695 nan 8.210 nan 0.000 0.478 402 S N 0.182 115.882 115.700 0.001 0.000 2.656 402 S HA 0.541 5.011 4.470 -0.000 0.000 0.273 402 S C 0.492 175.090 174.600 -0.004 0.000 1.168 402 S CA -0.108 58.089 58.200 -0.005 0.000 0.817 402 S CB 0.906 64.111 63.200 0.008 0.000 1.146 402 S HN 0.834 nan 8.310 nan 0.000 0.475 403 G N 0.168 108.970 108.800 0.004 0.000 2.471 403 G HA2 0.043 4.003 3.960 -0.000 0.000 0.219 403 G HA3 0.043 4.003 3.960 -0.000 0.000 0.219 403 G C 1.025 176.008 174.900 0.138 0.000 1.125 403 G CA 0.466 45.596 45.100 0.051 0.000 0.775 403 G HN 0.675 nan 8.290 nan 0.000 0.548 404 L N 0.603 121.882 121.223 0.094 0.000 2.610 404 L HA 0.079 4.419 4.340 -0.000 0.000 0.232 404 L C 1.206 178.109 176.870 0.056 0.000 1.149 404 L CA 0.526 55.431 54.840 0.109 0.000 0.872 404 L CB -0.182 41.955 42.059 0.129 0.000 0.992 404 L HN 0.120 nan 8.230 nan 0.000 0.447 405 D N -0.357 120.050 120.400 0.012 0.000 2.350 405 D HA 0.026 4.666 4.640 -0.000 0.000 0.213 405 D C 0.769 176.964 176.300 -0.174 0.000 1.031 405 D CA 0.236 54.215 54.000 -0.035 0.000 0.861 405 D CB 0.518 41.274 40.800 -0.073 0.000 0.926 405 D HN 0.099 nan 8.370 nan 0.000 0.520 406 S N 0.041 115.636 115.700 -0.174 0.000 2.549 406 S HA 0.167 4.637 4.470 -0.000 0.000 0.279 406 S C 0.980 175.490 174.600 -0.151 0.000 1.321 406 S CA -0.463 57.580 58.200 -0.263 0.000 1.054 406 S CB 0.538 63.652 63.200 -0.144 0.000 0.899 406 S HN 0.178 nan 8.310 nan 0.000 0.497 407 F N 1.047 120.853 119.950 -0.240 0.000 2.804 407 F HA 0.101 4.628 4.527 0.000 0.000 0.303 407 F C 2.267 177.990 175.800 -0.127 0.000 1.154 407 F CA -0.581 57.310 58.000 -0.182 0.000 1.401 407 F CB -0.113 38.797 39.000 -0.150 0.000 1.106 407 F HN 0.816 nan 8.300 nan 0.000 0.568 408 G N 0.239 109.015 108.800 -0.041 0.000 2.470 408 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 408 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 408 G C 1.210 176.053 174.900 -0.096 0.000 1.121 408 G CA 0.425 45.526 45.100 0.001 0.000 0.766 408 G HN 0.379 nan 8.290 nan 0.000 0.553 409 N N -0.590 117.921 118.700 -0.315 0.000 2.314 409 N HA 0.122 4.862 4.740 -0.000 0.000 0.200 409 N C -0.629 174.925 175.510 0.073 0.000 1.135 409 N CA -0.335 52.657 53.050 -0.096 0.000 0.835 409 N CB 0.101 38.508 38.487 -0.133 0.000 0.989 409 N HN 0.174 nan 8.380 nan 0.000 0.478 410 L N 1.295 122.555 121.223 0.062 0.000 2.406 410 L HA 0.498 4.838 4.340 -0.000 0.000 0.270 410 L C -1.214 175.705 176.870 0.081 0.000 0.982 410 L CA -0.216 54.649 54.840 0.042 0.000 0.843 410 L CB 1.271 43.202 42.059 -0.213 0.000 1.225 410 L HN -0.100 nan 8.230 nan 0.000 0.412 411 E N 3.348 123.612 120.200 0.107 0.000 2.450 411 E HA 0.806 5.156 4.350 -0.000 0.000 0.272 411 E C -1.374 175.274 176.600 0.079 0.000 0.967 411 E CA -0.634 55.831 56.400 0.108 0.000 0.818 411 E CB 2.499 32.265 29.700 0.110 0.000 1.401 411 E HN 0.303 nan 8.360 nan 0.000 0.450 412 V N -1.251 118.686 119.914 0.039 0.000 2.971 412 V HA 0.602 4.722 4.120 -0.000 0.000 0.309 412 V C 0.089 176.060 176.094 -0.206 0.000 1.130 412 V CA -1.115 61.157 62.300 -0.047 0.000 0.964 412 V CB 1.424 33.221 31.823 -0.043 0.000 1.029 412 V HN 0.760 nan 8.190 nan 0.000 0.427 413 S N 2.324 117.808 115.700 -0.360 0.000 2.652 413 S HA 0.737 5.207 4.470 -0.000 0.000 0.270 413 S C -2.475 171.706 174.600 -0.698 0.000 1.243 413 S CA -1.178 56.500 58.200 -0.869 0.000 0.999 413 S CB 1.271 64.077 63.200 -0.657 0.000 0.973 413 S HN 0.663 nan 8.310 nan 0.000 0.544 414 P HA 0.346 nan 4.420 nan 0.000 0.274 414 P C -2.633 174.458 177.300 -0.349 0.000 1.260 414 P CA -1.401 61.387 63.100 -0.520 0.000 0.793 414 P CB -0.776 30.502 31.700 -0.704 0.000 1.048 415 P HA 0.011 nan 4.420 nan 0.000 0.264 415 P C -0.650 176.616 177.300 -0.058 0.000 1.183 415 P CA 0.861 63.870 63.100 -0.152 0.000 0.763 415 P CB 0.247 31.879 31.700 -0.113 0.000 0.807 416 V N 3.454 123.348 119.914 -0.034 0.000 3.087 416 V HA 0.528 4.648 4.120 -0.000 0.000 0.306 416 V C -0.979 175.174 176.094 0.098 0.000 1.187 416 V CA -0.342 61.993 62.300 0.058 0.000 0.999 416 V CB 2.860 34.694 31.823 0.019 0.000 1.049 416 V HN 0.420 nan 8.190 nan 0.000 0.431 417 T N 4.174 118.786 114.554 0.097 0.000 2.792 417 T HA 0.605 4.955 4.350 -0.000 0.000 0.280 417 T C -0.925 173.838 174.700 0.104 0.000 0.990 417 T CA -0.305 61.845 62.100 0.082 0.000 0.960 417 T CB 1.350 70.232 68.868 0.023 0.000 0.939 417 T HN 0.550 nan 8.240 nan 0.000 0.439 418 V N 5.063 125.065 119.914 0.147 0.000 2.326 418 V HA 0.454 4.574 4.120 -0.000 0.000 0.281 418 V C 0.480 176.621 176.094 0.079 0.000 1.015 418 V CA -1.058 61.317 62.300 0.125 0.000 0.823 418 V CB 0.651 32.582 31.823 0.180 0.000 1.009 418 V HN 0.945 nan 8.190 nan 0.000 0.436 419 R N 3.564 124.089 120.500 0.042 0.000 3.264 419 R HA -0.231 4.109 4.340 -0.000 0.000 0.251 419 R C 1.353 177.658 176.300 0.008 0.000 0.971 419 R CA 0.738 56.850 56.100 0.021 0.000 0.658 419 R CB -1.525 28.786 30.300 0.018 0.000 1.095 419 R HN 1.521 nan 8.270 nan 0.000 0.443 420 G N -0.405 108.396 108.800 0.001 0.000 2.267 420 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.257 420 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.257 420 G C 0.142 175.013 174.900 -0.049 0.000 0.998 420 G CA 0.659 45.747 45.100 -0.019 0.000 0.620 420 G HN 0.443 nan 8.290 nan 0.000 0.529 421 K N 1.406 121.772 120.400 -0.057 0.000 2.248 421 K HA 0.486 4.806 4.320 -0.000 0.000 0.281 421 K C 0.095 176.539 176.600 -0.260 0.000 1.054 421 K CA -0.423 55.761 56.287 -0.171 0.000 0.903 421 K CB 0.528 32.920 32.500 -0.181 0.000 1.077 421 K HN 0.358 nan 8.250 nan 0.000 0.474 422 E N 4.283 124.276 120.200 -0.346 0.000 2.227 422 E HA 0.094 4.444 4.350 -0.000 0.000 0.282 422 E C -1.443 174.837 176.600 -0.533 0.000 1.015 422 E CA -0.646 55.575 56.400 -0.298 0.000 0.823 422 E CB 0.610 30.182 29.700 -0.213 0.000 1.081 422 E HN 0.560 nan 8.360 nan 0.000 0.396 423 Y N 5.722 125.902 120.300 -0.200 0.000 2.863 423 Y HA 0.260 4.811 4.550 0.002 0.000 0.348 423 Y C -1.727 173.952 175.900 -0.370 0.000 1.028 423 Y CA -1.992 55.958 58.100 -0.250 0.000 1.213 423 Y CB 1.446 39.789 38.460 -0.193 0.000 1.120 423 Y HN 0.575 nan 8.280 nan 0.000 0.598 424 P HA -0.026 nan 4.420 nan 0.000 0.237 424 P C 0.503 177.296 177.300 -0.845 0.000 1.178 424 P CA 1.012 63.675 63.100 -0.727 0.000 0.766 424 P CB 0.568 31.388 31.700 -1.466 0.000 0.876 425 L N -1.876 118.916 121.223 -0.718 0.000 2.906 425 L HA 0.405 4.744 4.340 -0.000 0.000 0.255 425 L C 1.186 177.731 176.870 -0.542 0.000 1.166 425 L CA 0.013 54.245 54.840 -1.012 0.000 0.977 425 L CB -0.182 41.557 42.059 -0.534 0.000 1.313 425 L HN 0.052 nan 8.230 nan 0.000 0.549 426 G N 1.473 110.066 108.800 -0.345 0.000 2.642 426 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.231 426 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.231 426 G C -0.522 174.267 174.900 -0.184 0.000 1.338 426 G CA -0.504 44.458 45.100 -0.229 0.000 0.883 426 G HN 0.266 nan 8.290 nan 0.000 0.570 427 R N -0.974 119.399 120.500 -0.211 0.000 2.515 427 R HA 0.606 4.946 4.340 -0.000 0.000 0.291 427 R C 0.166 176.393 176.300 -0.123 0.000 1.046 427 R CA -0.745 55.228 56.100 -0.211 0.000 0.914 427 R CB 0.852 30.942 30.300 -0.351 0.000 1.191 427 R HN 0.650 nan 8.270 nan 0.000 0.435 428 I N 4.521 125.061 120.570 -0.050 0.000 2.752 428 I HA 0.024 4.194 4.170 -0.000 0.000 0.287 428 I C -0.392 175.764 176.117 0.065 0.000 1.188 428 I CA 0.259 61.583 61.300 0.039 0.000 1.427 428 I CB 0.409 38.473 38.000 0.105 0.000 1.365 428 I HN 0.319 nan 8.210 nan 0.000 0.585 429 L N 8.040 129.324 121.223 0.101 0.000 2.356 429 L HA 0.553 4.893 4.340 -0.000 0.000 0.277 429 L C -0.561 176.422 176.870 0.188 0.000 0.996 429 L CA -0.435 54.448 54.840 0.070 0.000 0.822 429 L CB 1.144 43.244 42.059 0.068 0.000 1.256 429 L HN 0.422 nan 8.230 nan 0.000 0.413 430 F N -0.054 119.934 119.950 0.063 0.000 2.613 430 F HA 0.920 5.447 4.527 -0.000 0.000 0.310 430 F C 0.239 176.109 175.800 0.117 0.000 1.085 430 F CA -1.160 56.883 58.000 0.071 0.000 0.945 430 F CB 1.517 40.553 39.000 0.060 0.000 1.298 430 F HN 0.498 nan 8.300 nan 0.000 0.455 431 G N 0.958 109.929 108.800 0.286 0.000 2.400 431 G HA2 0.488 4.448 3.960 -0.000 0.000 0.301 431 G HA3 0.488 4.448 3.960 -0.000 0.000 0.301 431 G C -1.894 173.170 174.900 0.273 0.000 1.154 431 G CA -0.161 45.080 45.100 0.235 0.000 0.852 431 G HN 0.842 nan 8.290 nan 0.000 0.511 432 D N -1.178 119.369 120.400 0.245 0.000 2.744 432 D HA 0.576 5.216 4.640 -0.000 0.000 0.304 432 D C 0.465 176.942 176.300 0.294 0.000 1.179 432 D CA -0.330 53.813 54.000 0.238 0.000 1.024 432 D CB 1.575 42.479 40.800 0.174 0.000 1.453 432 D HN 0.494 nan 8.370 nan 0.000 0.529 433 S N -1.116 114.703 115.700 0.199 0.000 2.681 433 S HA 0.291 4.761 4.470 -0.000 0.000 0.270 433 S C 1.008 175.597 174.600 -0.018 0.000 1.209 433 S CA -0.536 57.757 58.200 0.155 0.000 0.988 433 S CB 1.077 64.278 63.200 0.002 0.000 1.006 433 S HN 0.607 nan 8.310 nan 0.000 0.558 434 C N -0.156 118.944 119.300 -0.333 0.000 2.485 434 C HA 0.316 4.775 4.460 -0.000 0.000 0.277 434 C C 0.272 175.230 174.990 -0.053 0.000 1.376 434 C CA 0.037 58.836 59.018 -0.365 0.000 1.759 434 C CB -1.462 25.819 27.740 -0.765 0.000 1.970 434 C HN 0.851 nan 8.230 nan 0.000 0.509 435 Y N -1.151 119.071 120.300 -0.130 0.000 2.581 435 Y HA 0.623 5.173 4.550 -0.000 0.000 0.337 435 Y C -3.154 172.727 175.900 -0.031 0.000 1.108 435 Y CA -3.114 54.947 58.100 -0.065 0.000 1.033 435 Y CB -0.083 38.331 38.460 -0.076 0.000 1.318 435 Y HN -0.202 nan 8.280 nan 0.000 0.459 436 P HA 0.262 nan 4.420 nan 0.000 0.281 436 P C -0.694 176.630 177.300 0.040 0.000 1.286 436 P CA 0.115 63.225 63.100 0.017 0.000 0.772 436 P CB 1.385 33.122 31.700 0.062 0.000 0.862 437 S N 1.647 117.286 115.700 -0.101 0.000 2.745 437 S HA 0.323 4.793 4.470 -0.000 0.000 0.306 437 S C 0.993 175.570 174.600 -0.037 0.000 1.137 437 S CA -0.866 57.313 58.200 -0.034 0.000 0.900 437 S CB 0.915 64.043 63.200 -0.121 0.000 1.176 437 S HN 0.317 nan 8.310 nan 0.000 0.520 438 N N 0.428 119.118 118.700 -0.017 0.000 2.272 438 N HA -0.088 4.652 4.740 -0.000 0.000 0.185 438 N C 0.140 175.614 175.510 -0.060 0.000 1.014 438 N CA 1.233 54.266 53.050 -0.029 0.000 0.870 438 N CB -0.110 38.367 38.487 -0.017 0.000 0.975 438 N HN 0.555 nan 8.380 nan 0.000 0.433 439 D N -0.230 120.121 120.400 -0.081 0.000 2.398 439 D HA 0.022 4.662 4.640 -0.000 0.000 0.210 439 D C 0.343 176.569 176.300 -0.123 0.000 1.094 439 D CA 0.171 54.101 54.000 -0.117 0.000 0.839 439 D CB 0.329 41.057 40.800 -0.120 0.000 0.963 439 D HN 0.173 nan 8.370 nan 0.000 0.506 440 S N 0.523 116.156 115.700 -0.113 0.000 2.601 440 S HA 0.476 4.946 4.470 -0.000 0.000 0.271 440 S C 0.375 174.939 174.600 -0.061 0.000 1.305 440 S CA -0.676 57.465 58.200 -0.098 0.000 1.022 440 S CB 1.858 64.973 63.200 -0.142 0.000 0.940 440 S HN -0.029 nan 8.310 nan 0.000 0.525 441 R N 1.035 121.519 120.500 -0.028 0.000 2.787 441 R HA 0.574 4.914 4.340 -0.000 0.000 0.271 441 R C -0.580 175.744 176.300 0.039 0.000 0.993 441 R CA -0.870 55.227 56.100 -0.004 0.000 0.993 441 R CB 1.482 31.777 30.300 -0.008 0.000 1.155 441 R HN 0.910 nan 8.270 nan 0.000 0.486 442 Q N 0.954 120.784 119.800 0.050 0.000 2.501 442 Q HA 0.408 4.748 4.340 -0.000 0.000 0.288 442 Q C -0.926 175.130 176.000 0.093 0.000 1.051 442 Q CA -1.010 54.850 55.803 0.095 0.000 0.788 442 Q CB 2.005 30.793 28.738 0.083 0.000 1.469 442 Q HN 0.508 nan 8.270 nan 0.000 0.416 443 M N 2.396 122.076 119.600 0.132 0.000 2.245 443 M HA 0.108 4.588 4.480 -0.000 0.000 0.344 443 M C -0.231 176.110 176.300 0.069 0.000 1.170 443 M CA -0.221 55.132 55.300 0.087 0.000 1.135 443 M CB 0.648 33.258 32.600 0.017 0.000 1.574 443 M HN 0.825 nan 8.290 nan 0.000 0.452 444 H N 3.264 122.331 119.070 -0.005 0.000 2.972 444 H HA -0.071 4.485 4.556 -0.000 0.000 0.343 444 H C 0.376 175.705 175.328 0.002 0.000 1.054 444 H CA 0.746 56.793 56.048 -0.002 0.000 1.412 444 H CB 1.107 30.860 29.762 -0.014 0.000 1.385 444 H HN 0.863 nan 8.280 nan 0.000 0.600 445 Q N 4.197 123.823 119.800 -0.289 0.000 2.135 445 Q HA -0.114 4.226 4.340 -0.000 0.000 0.204 445 Q C 2.113 178.183 176.000 0.116 0.000 0.981 445 Q CA 2.051 57.811 55.803 -0.071 0.000 0.856 445 Q CB -0.388 28.275 28.738 -0.125 0.000 0.902 445 Q HN 0.779 nan 8.270 nan 0.000 0.425 446 A N 0.104 123.142 122.820 0.364 0.000 1.908 446 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 446 A C 2.014 179.721 177.584 0.205 0.000 1.181 446 A CA 1.593 53.799 52.037 0.281 0.000 0.627 446 A CB -0.764 18.388 19.000 0.253 0.000 0.818 446 A HN 0.454 nan 8.150 nan 0.000 0.445 447 L N -1.207 120.140 121.223 0.207 0.000 2.027 447 L HA -0.224 4.116 4.340 -0.000 0.000 0.206 447 L C 2.864 179.789 176.870 0.091 0.000 1.074 447 L CA 1.610 56.558 54.840 0.181 0.000 0.745 447 L CB -1.046 41.089 42.059 0.126 0.000 0.898 447 L HN 0.493 nan 8.230 nan 0.000 0.433 448 Q N 0.126 119.911 119.800 -0.025 0.000 2.096 448 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 448 Q C 1.873 177.885 176.000 0.020 0.000 0.982 448 Q CA 1.670 57.405 55.803 -0.113 0.000 0.850 448 Q CB -0.114 28.598 28.738 -0.044 0.000 0.901 448 Q HN 0.464 nan 8.270 nan 0.000 0.422 449 D N 0.040 120.485 120.400 0.075 0.000 2.117 449 D HA -0.142 4.497 4.640 -0.000 0.000 0.197 449 D C 1.491 177.841 176.300 0.083 0.000 0.987 449 D CA 0.761 54.811 54.000 0.083 0.000 0.829 449 D CB -0.268 40.591 40.800 0.099 0.000 0.961 449 D HN 0.149 nan 8.370 nan 0.000 0.460 450 F N 1.252 121.180 119.950 -0.037 0.000 2.102 450 F HA -0.129 4.398 4.527 0.001 0.000 0.298 450 F C 2.029 177.764 175.800 -0.108 0.000 1.105 450 F CA 1.206 59.146 58.000 -0.101 0.000 1.239 450 F CB -0.314 38.570 39.000 -0.194 0.000 0.991 450 F HN -0.111 nan 8.300 nan 0.000 0.474 451 L N -0.655 120.493 121.223 -0.125 0.000 2.046 451 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 451 L C 2.609 179.398 176.870 -0.135 0.000 1.077 451 L CA 1.452 56.194 54.840 -0.163 0.000 0.747 451 L CB -1.134 40.925 42.059 -0.001 0.000 0.896 451 L HN 0.087 nan 8.230 nan 0.000 0.432 452 S N -0.223 115.444 115.700 -0.055 0.000 2.382 452 S HA -0.121 4.348 4.470 -0.000 0.000 0.228 452 S C 2.087 176.638 174.600 -0.082 0.000 1.027 452 S CA 1.169 59.352 58.200 -0.029 0.000 0.991 452 S CB -0.203 63.014 63.200 0.028 0.000 0.823 452 S HN 0.486 nan 8.310 nan 0.000 0.469 453 A N 0.720 123.465 122.820 -0.125 0.000 2.168 453 A HA -0.026 4.294 4.320 -0.000 0.000 0.215 453 A C 1.935 179.404 177.584 -0.192 0.000 1.152 453 A CA 0.765 52.723 52.037 -0.132 0.000 0.716 453 A CB -0.233 18.703 19.000 -0.106 0.000 0.794 453 A HN 0.325 nan 8.150 nan 0.000 0.465 454 Q N -1.195 118.438 119.800 -0.278 0.000 2.311 454 Q HA -0.071 4.269 4.340 -0.000 0.000 0.203 454 Q C 0.865 176.768 176.000 -0.162 0.000 0.954 454 Q CA 0.998 56.635 55.803 -0.278 0.000 0.885 454 Q CB -0.233 28.298 28.738 -0.344 0.000 0.963 454 Q HN 0.798 nan 8.270 nan 0.000 0.471 455 Q N -1.529 118.199 119.800 -0.119 0.000 2.281 455 Q HA -0.225 4.115 4.340 -0.000 0.000 0.148 455 Q C 1.116 177.068 176.000 -0.080 0.000 1.069 455 Q CA 1.433 57.184 55.803 -0.087 0.000 1.297 455 Q CB -1.684 27.006 28.738 -0.079 0.000 1.268 455 Q HN 0.308 nan 8.270 nan 0.000 0.952 456 V N 0.243 120.122 119.914 -0.060 0.000 3.406 456 V HA -0.036 4.083 4.120 -0.000 0.000 0.263 456 V C 0.715 176.792 176.094 -0.028 0.000 1.172 456 V CA 1.686 63.977 62.300 -0.015 0.000 1.140 456 V CB 0.238 32.109 31.823 0.081 0.000 0.784 456 V HN 0.286 nan 8.190 nan 0.000 0.467 457 Q N 0.504 120.276 119.800 -0.047 0.000 2.217 457 Q HA 0.489 4.829 4.340 -0.000 0.000 0.340 457 Q C 0.479 176.462 176.000 -0.030 0.000 0.893 457 Q CA 0.183 55.959 55.803 -0.044 0.000 1.142 457 Q CB 1.032 29.721 28.738 -0.082 0.000 1.288 457 Q HN 0.450 nan 8.270 nan 0.000 0.426 458 A N 2.504 125.330 122.820 0.009 0.000 1.829 458 A HA -0.133 4.187 4.320 -0.000 0.000 0.338 458 A C -2.166 175.404 177.584 -0.023 0.000 0.916 458 A CA -0.394 51.649 52.037 0.010 0.000 1.518 458 A CB -0.964 18.088 19.000 0.086 0.000 0.646 458 A HN 0.192 nan 8.150 nan 0.000 0.228 459 P HA 0.165 nan 4.420 nan 0.000 0.264 459 P C -0.369 176.936 177.300 0.009 0.000 1.179 459 P CA 0.204 63.367 63.100 0.105 0.000 0.763 459 P CB 0.590 32.477 31.700 0.312 0.000 0.806 460 V N 4.343 124.212 119.914 -0.075 0.000 2.487 460 V HA 0.241 4.361 4.120 -0.000 0.000 0.298 460 V C 0.323 176.189 176.094 -0.381 0.000 1.028 460 V CA -0.667 61.532 62.300 -0.167 0.000 0.860 460 V CB 1.612 33.355 31.823 -0.132 0.000 0.991 460 V HN 0.394 nan 8.190 nan 0.000 0.427 461 K N 5.290 125.432 120.400 -0.430 0.000 2.312 461 K HA 0.552 4.872 4.320 -0.000 0.000 0.287 461 K C -0.755 175.737 176.600 -0.181 0.000 1.062 461 K CA -0.165 55.791 56.287 -0.552 0.000 0.934 461 K CB 0.940 33.251 32.500 -0.315 0.000 1.027 461 K HN 0.490 nan 8.250 nan 0.000 0.478 462 L N 2.141 123.311 121.223 -0.089 0.000 2.335 462 L HA 0.416 4.756 4.340 -0.000 0.000 0.268 462 L C -0.308 176.756 176.870 0.324 0.000 1.016 462 L CA -1.200 53.743 54.840 0.172 0.000 0.805 462 L CB 0.772 42.992 42.059 0.268 0.000 1.311 462 L HN 0.570 nan 8.230 nan 0.000 0.456 463 Y N 0.286 120.761 120.300 0.292 0.000 2.491 463 Y HA 0.170 4.719 4.550 -0.000 0.000 0.334 463 Y C 0.615 176.754 175.900 0.399 0.000 0.969 463 Y CA -0.488 57.784 58.100 0.287 0.000 1.241 463 Y CB 1.111 39.725 38.460 0.257 0.000 1.105 463 Y HN 0.641 nan 8.280 nan 0.000 0.503 464 S N 0.821 116.681 115.700 0.266 0.000 2.578 464 S HA 0.002 4.472 4.470 -0.000 0.000 0.228 464 S C 0.776 175.156 174.600 -0.368 0.000 1.022 464 S CA 0.034 58.216 58.200 -0.030 0.000 0.967 464 S CB 0.158 63.460 63.200 0.171 0.000 0.914 464 S HN 0.755 nan 8.310 nan 0.000 0.515 465 D N 2.064 122.411 120.400 -0.088 0.000 2.371 465 D HA -0.015 4.625 4.640 -0.000 0.000 0.221 465 D C 1.593 177.852 176.300 -0.070 0.000 0.986 465 D CA 0.839 54.827 54.000 -0.021 0.000 0.899 465 D CB -0.217 40.688 40.800 0.176 0.000 0.902 465 D HN 0.736 nan 8.370 nan 0.000 0.530 466 W N 0.257 121.369 121.300 -0.313 0.000 2.525 466 W HA 0.065 4.724 4.660 -0.001 0.000 0.259 466 W C -0.180 176.257 176.519 -0.136 0.000 1.253 466 W CA -0.175 57.039 57.345 -0.219 0.000 1.262 466 W CB -1.079 28.094 29.460 -0.479 0.000 1.122 466 W HN -0.101 nan 8.180 nan 0.000 0.607 467 L N 1.733 122.459 121.223 -0.828 0.000 2.350 467 L HA 0.087 4.427 4.340 -0.000 0.000 0.275 467 L C 2.091 178.773 176.870 -0.314 0.000 1.099 467 L CA -0.140 54.285 54.840 -0.692 0.000 0.808 467 L CB 1.486 43.011 42.059 -0.891 0.000 1.149 467 L HN -0.182 nan 8.230 nan 0.000 0.442 468 S N 1.707 117.294 115.700 -0.189 0.000 2.351 468 S HA -0.153 4.317 4.470 -0.000 0.000 0.220 468 S C 1.676 176.150 174.600 -0.210 0.000 1.035 468 S CA 1.794 59.914 58.200 -0.133 0.000 1.031 468 S CB 0.039 63.185 63.200 -0.091 0.000 0.928 468 S HN 0.454 nan 8.310 nan 0.000 0.433 469 V N 0.540 120.282 119.914 -0.287 0.000 2.261 469 V HA 0.107 4.227 4.120 -0.000 0.000 0.246 469 V C 1.931 177.780 176.094 -0.408 0.000 1.047 469 V CA 1.581 63.626 62.300 -0.426 0.000 1.015 469 V CB -1.233 30.250 31.823 -0.567 0.000 0.642 469 V HN 0.874 nan 8.190 nan 0.000 0.446 470 G N -0.930 107.655 108.800 -0.357 0.000 2.151 470 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.156 470 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.156 470 G C -0.122 174.834 174.900 0.093 0.000 1.017 470 G CA -0.177 44.826 45.100 -0.161 0.000 0.686 470 G HN 0.634 nan 8.290 nan 0.000 0.503 471 H N -0.593 118.414 119.070 -0.104 0.000 2.457 471 H HA 0.418 4.974 4.556 -0.000 0.000 0.335 471 H C 1.692 176.985 175.328 -0.059 0.000 1.115 471 H CA -0.668 55.359 56.048 -0.036 0.000 1.219 471 H CB 2.229 31.980 29.762 -0.018 0.000 1.471 471 H HN 0.289 nan 8.280 nan 0.000 0.491 472 V N -0.182 119.762 119.914 0.051 0.000 2.688 472 V HA -0.244 3.876 4.120 -0.000 0.000 0.256 472 V C 1.640 177.479 176.094 -0.426 0.000 1.084 472 V CA 1.983 64.107 62.300 -0.294 0.000 1.103 472 V CB -0.364 31.339 31.823 -0.199 0.000 0.688 472 V HN 0.859 nan 8.190 nan 0.000 0.480 473 D N 0.568 120.901 120.400 -0.113 0.000 2.378 473 D HA -0.150 4.490 4.640 -0.000 0.000 0.227 473 D C 1.642 177.913 176.300 -0.049 0.000 1.012 473 D CA 1.068 55.004 54.000 -0.106 0.000 0.905 473 D CB -0.379 40.459 40.800 0.063 0.000 0.895 473 D HN 0.690 nan 8.370 nan 0.000 0.532 474 E N -0.937 119.261 120.200 -0.004 0.000 2.442 474 E HA 0.048 4.398 4.350 -0.000 0.000 0.195 474 E C 0.654 177.416 176.600 0.270 0.000 1.030 474 E CA 0.284 56.755 56.400 0.118 0.000 0.869 474 E CB -0.089 29.663 29.700 0.086 0.000 0.857 474 E HN 0.581 nan 8.360 nan 0.000 0.505 475 F N -0.804 119.218 119.950 0.120 0.000 2.880 475 F HA 0.286 4.812 4.527 -0.001 0.000 0.346 475 F C -0.105 175.746 175.800 0.085 0.000 1.054 475 F CA -1.001 57.103 58.000 0.173 0.000 1.151 475 F CB 0.303 39.452 39.000 0.249 0.000 1.066 475 F HN -0.205 nan 8.300 nan 0.000 0.566 476 L N -0.658 120.373 121.223 -0.320 0.000 2.350 476 L HA 0.939 5.279 4.340 -0.000 0.000 0.260 476 L C -0.453 176.253 176.870 -0.273 0.000 1.015 476 L CA -0.995 53.680 54.840 -0.274 0.000 0.821 476 L CB 1.723 43.546 42.059 -0.392 0.000 1.370 476 L HN -0.022 nan 8.230 nan 0.000 0.416 477 S N 0.291 115.816 115.700 -0.291 0.000 2.607 477 S HA 0.850 5.319 4.470 -0.000 0.000 0.273 477 S C -1.743 172.643 174.600 -0.357 0.000 1.148 477 S CA -0.439 57.621 58.200 -0.233 0.000 0.833 477 S CB 0.916 64.039 63.200 -0.128 0.000 1.130 477 S HN 0.499 nan 8.310 nan 0.000 0.470 478 F N 1.481 121.416 119.950 -0.025 0.000 2.532 478 F HA 0.704 5.231 4.527 -0.000 0.000 0.321 478 F C 0.042 175.866 175.800 0.041 0.000 1.089 478 F CA -0.609 57.400 58.000 0.015 0.000 0.926 478 F CB 2.188 41.151 39.000 -0.061 0.000 1.168 478 F HN 0.465 nan 8.300 nan 0.000 0.459 479 V N 0.375 120.450 119.914 0.269 0.000 2.962 479 V HA 0.749 4.869 4.120 -0.000 0.000 0.313 479 V C -2.955 173.266 176.094 0.212 0.000 1.099 479 V CA -3.009 59.398 62.300 0.180 0.000 0.971 479 V CB 1.881 33.768 31.823 0.107 0.000 1.028 479 V HN 0.431 nan 8.190 nan 0.000 0.430 480 P HA 0.592 nan 4.420 nan 0.000 0.272 480 P C -0.636 176.730 177.300 0.109 0.000 1.230 480 P CA 0.115 63.298 63.100 0.139 0.000 0.788 480 P CB 0.977 32.725 31.700 0.080 0.000 0.949 481 A N 2.505 125.382 122.820 0.096 0.000 2.539 481 A HA 0.618 4.938 4.320 -0.000 0.000 0.296 481 A C -2.293 175.306 177.584 0.026 0.000 1.073 481 A CA -1.169 50.894 52.037 0.043 0.000 0.700 481 A CB 1.183 20.195 19.000 0.020 0.000 1.296 481 A HN 0.350 nan 8.150 nan 0.000 0.405 482 P HA 0.105 nan 4.420 nan 0.000 0.245 482 P C -0.406 176.892 177.300 -0.003 0.000 1.206 482 P CA 0.871 63.974 63.100 0.005 0.000 0.781 482 P CB 0.113 31.813 31.700 -0.000 0.000 0.994 483 D N -2.064 118.325 120.400 -0.017 0.000 2.727 483 D HA 0.268 4.908 4.640 -0.000 0.000 0.264 483 D C 0.776 177.039 176.300 -0.061 0.000 1.101 483 D CA -0.930 53.052 54.000 -0.030 0.000 1.122 483 D CB 0.908 41.691 40.800 -0.029 0.000 1.390 483 D HN -0.279 nan 8.370 nan 0.000 0.606 484 R N -0.714 119.746 120.500 -0.068 0.000 3.750 484 R HA -0.268 4.072 4.340 -0.000 0.000 0.495 484 R C 0.790 177.018 176.300 -0.119 0.000 0.241 484 R CA 1.949 57.987 56.100 -0.105 0.000 1.551 484 R CB -1.074 29.137 30.300 -0.148 0.000 0.956 484 R HN 0.618 nan 8.270 nan 0.000 0.584 485 K N 0.957 121.220 120.400 -0.227 0.000 2.505 485 K HA 0.121 4.441 4.320 -0.000 0.000 0.192 485 K C 0.945 177.509 176.600 -0.059 0.000 1.025 485 K CA 0.719 56.903 56.287 -0.172 0.000 1.086 485 K CB 0.371 32.710 32.500 -0.268 0.000 0.840 485 K HN 0.774 nan 8.250 nan 0.000 0.514 486 G N 1.444 110.201 108.800 -0.071 0.000 2.141 486 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.242 486 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.242 486 G C -0.098 174.925 174.900 0.204 0.000 0.982 486 G CA 0.392 45.538 45.100 0.076 0.000 0.662 486 G HN 0.393 nan 8.290 nan 0.000 0.527 487 F N -2.276 117.714 119.950 0.066 0.000 2.745 487 F HA 0.918 5.445 4.527 -0.001 0.000 0.316 487 F C -0.661 175.206 175.800 0.112 0.000 1.155 487 F CA -2.030 56.032 58.000 0.103 0.000 0.937 487 F CB 0.811 39.900 39.000 0.149 0.000 1.361 487 F HN 0.037 nan 8.300 nan 0.000 0.472 488 R N 1.808 122.532 120.500 0.375 0.000 2.686 488 R HA 0.439 4.779 4.340 -0.000 0.000 0.286 488 R C -1.424 175.135 176.300 0.432 0.000 0.969 488 R CA -0.915 55.354 56.100 0.282 0.000 0.898 488 R CB 2.445 32.811 30.300 0.111 0.000 1.183 488 R HN 0.909 nan 8.270 nan 0.000 0.456 489 L N 4.642 126.055 121.223 0.318 0.000 2.313 489 L HA 0.323 4.663 4.340 -0.000 0.000 0.282 489 L C -0.698 176.117 176.870 -0.092 0.000 1.092 489 L CA -0.188 54.580 54.840 -0.120 0.000 0.831 489 L CB 0.359 42.369 42.059 -0.081 0.000 1.159 489 L HN 0.460 nan 8.230 nan 0.000 0.442 490 L N 6.642 127.767 121.223 -0.163 0.000 2.289 490 L HA 0.464 4.803 4.340 -0.000 0.000 0.285 490 L C -0.457 176.375 176.870 -0.064 0.000 1.049 490 L CA -0.509 54.291 54.840 -0.067 0.000 0.804 490 L CB 1.574 43.611 42.059 -0.036 0.000 1.195 490 L HN 0.553 nan 8.230 nan 0.000 0.428 491 L N 2.732 123.967 121.223 0.020 0.000 2.365 491 L HA 0.611 4.951 4.340 -0.000 0.000 0.273 491 L C 0.354 177.312 176.870 0.146 0.000 1.000 491 L CA -0.646 54.252 54.840 0.098 0.000 0.819 491 L CB 2.035 44.159 42.059 0.108 0.000 1.284 491 L HN 0.698 nan 8.230 nan 0.000 0.418 492 A N 1.831 124.793 122.820 0.236 0.000 2.531 492 A HA 0.341 4.660 4.320 -0.000 0.000 0.236 492 A C 0.268 177.995 177.584 0.238 0.000 1.062 492 A CA 0.294 52.503 52.037 0.287 0.000 0.760 492 A CB 0.344 19.651 19.000 0.511 0.000 0.995 492 A HN 0.581 nan 8.150 nan 0.000 0.501 493 S N 3.257 119.080 115.700 0.205 0.000 2.673 493 S HA 0.543 5.013 4.470 -0.000 0.000 0.256 493 S C -2.191 172.498 174.600 0.149 0.000 1.141 493 S CA -1.087 57.199 58.200 0.143 0.000 1.109 493 S CB 1.136 64.392 63.200 0.093 0.000 1.101 493 S HN 0.376 nan 8.310 nan 0.000 0.471 494 P HA -0.153 nan 4.420 nan 0.000 0.216 494 P C 1.665 179.103 177.300 0.229 0.000 1.153 494 P CA 0.843 64.072 63.100 0.216 0.000 0.858 494 P CB 0.064 31.910 31.700 0.245 0.000 0.789 495 R N -0.295 120.290 120.500 0.141 0.000 2.113 495 R HA -0.198 4.142 4.340 -0.000 0.000 0.244 495 R C 2.378 178.739 176.300 0.101 0.000 1.142 495 R CA 2.346 58.508 56.100 0.103 0.000 0.953 495 R CB -1.041 29.284 30.300 0.042 0.000 0.860 495 R HN 0.121 nan 8.270 nan 0.000 0.438 496 S N -0.630 115.112 115.700 0.070 0.000 2.383 496 S HA -0.158 4.312 4.470 -0.000 0.000 0.227 496 S C 2.159 176.756 174.600 -0.006 0.000 1.026 496 S CA 1.313 59.538 58.200 0.041 0.000 0.981 496 S CB -0.491 62.735 63.200 0.044 0.000 0.818 496 S HN 0.628 nan 8.310 nan 0.000 0.472 497 C N 0.326 119.593 119.300 -0.055 0.000 2.466 497 C HA 0.108 4.567 4.460 -0.000 0.000 0.278 497 C C 2.199 176.930 174.990 -0.431 0.000 1.288 497 C CA 0.552 59.386 59.018 -0.308 0.000 1.722 497 C CB -1.710 25.822 27.740 -0.348 0.000 2.017 497 C HN 0.753 nan 8.230 nan 0.000 0.488 498 Y N 1.191 121.371 120.300 -0.199 0.000 2.224 498 Y HA -0.155 4.394 4.550 -0.000 0.000 0.289 498 Y C 2.558 178.455 175.900 -0.005 0.000 1.146 498 Y CA 2.268 60.318 58.100 -0.084 0.000 1.182 498 Y CB -0.338 38.103 38.460 -0.032 0.000 0.983 498 Y HN 0.350 nan 8.280 nan 0.000 0.524 499 K N 0.541 121.023 120.400 0.137 0.000 2.009 499 K HA -0.211 4.109 4.320 -0.000 0.000 0.210 499 K C 2.119 178.776 176.600 0.095 0.000 1.049 499 K CA 1.430 57.776 56.287 0.100 0.000 0.929 499 K CB -0.501 32.039 32.500 0.067 0.000 0.714 499 K HN 0.316 nan 8.250 nan 0.000 0.440 500 L N 0.272 121.531 121.223 0.060 0.000 2.012 500 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 500 L C 2.265 179.291 176.870 0.261 0.000 1.073 500 L CA 1.533 56.437 54.840 0.107 0.000 0.748 500 L CB -0.304 41.788 42.059 0.054 0.000 0.891 500 L HN 0.246 nan 8.230 nan 0.000 0.431 501 F N 0.028 119.970 119.950 -0.014 0.000 2.186 501 F HA -0.201 4.327 4.527 0.000 0.000 0.299 501 F C 2.710 178.519 175.800 0.015 0.000 1.090 501 F CA 1.202 59.186 58.000 -0.027 0.000 1.307 501 F CB -1.114 37.841 39.000 -0.075 0.000 1.019 501 F HN 0.203 nan 8.300 nan 0.000 0.489 502 Q N 0.814 120.758 119.800 0.241 0.000 2.084 502 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 502 Q C 1.972 178.044 176.000 0.120 0.000 0.978 502 Q CA 1.885 57.785 55.803 0.162 0.000 0.844 502 Q CB -0.335 28.492 28.738 0.147 0.000 0.898 502 Q HN 0.459 nan 8.270 nan 0.000 0.426 503 E N -0.658 119.611 120.200 0.115 0.000 2.085 503 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 503 E C 2.068 178.721 176.600 0.089 0.000 0.994 503 E CA 1.302 57.754 56.400 0.088 0.000 0.801 503 E CB 0.004 29.749 29.700 0.075 0.000 0.743 503 E HN 0.385 nan 8.360 nan 0.000 0.453 504 Q N 0.458 120.312 119.800 0.091 0.000 2.050 504 Q HA -0.227 4.112 4.340 -0.000 0.000 0.202 504 Q C 2.094 178.174 176.000 0.132 0.000 0.980 504 Q CA 1.431 57.286 55.803 0.087 0.000 0.840 504 Q CB -0.587 28.145 28.738 -0.009 0.000 0.898 504 Q HN 0.394 nan 8.270 nan 0.000 0.424 505 Q N 0.639 120.490 119.800 0.084 0.000 2.077 505 Q HA -0.185 4.155 4.340 -0.000 0.000 0.206 505 Q C 1.567 177.601 176.000 0.057 0.000 0.989 505 Q CA 1.472 57.312 55.803 0.062 0.000 0.853 505 Q CB 0.023 28.794 28.738 0.055 0.000 0.907 505 Q HN 0.317 nan 8.270 nan 0.000 0.418 506 N N 0.449 119.188 118.700 0.065 0.000 2.272 506 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 506 N C 0.819 176.356 175.510 0.045 0.000 1.014 506 N CA 1.039 54.118 53.050 0.050 0.000 0.870 506 N CB -0.046 38.473 38.487 0.053 0.000 0.975 506 N HN 0.317 nan 8.380 nan 0.000 0.433 507 E N -0.586 119.661 120.200 0.079 0.000 2.465 507 E HA 0.190 4.539 4.350 -0.000 0.000 0.191 507 E C 0.769 177.358 176.600 -0.019 0.000 1.053 507 E CA -0.024 56.426 56.400 0.083 0.000 0.869 507 E CB -0.002 29.803 29.700 0.174 0.000 0.977 507 E HN 0.367 nan 8.360 nan 0.000 0.483 508 G N 1.342 110.106 108.800 -0.059 0.000 2.134 508 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.209 508 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.209 508 G C 0.241 174.961 174.900 -0.300 0.000 0.993 508 G CA -0.004 44.984 45.100 -0.188 0.000 0.669 508 G HN 0.414 nan 8.290 nan 0.000 0.519 509 H N -0.400 118.648 119.070 -0.036 0.000 2.488 509 H HA 0.406 4.962 4.556 -0.000 0.000 0.294 509 H C 2.183 177.464 175.328 -0.078 0.000 1.088 509 H CA 0.515 56.528 56.048 -0.058 0.000 1.086 509 H CB 0.572 30.293 29.762 -0.070 0.000 1.569 509 H HN 0.317 nan 8.280 nan 0.000 0.548 510 G N 0.467 109.273 108.800 0.010 0.000 2.479 510 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 510 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 510 G C 1.544 176.425 174.900 -0.032 0.000 1.115 510 G CA 0.638 45.729 45.100 -0.015 0.000 0.757 510 G HN 0.293 nan 8.290 nan 0.000 0.560 511 E N 0.241 120.425 120.200 -0.026 0.000 2.435 511 E HA 0.360 4.710 4.350 -0.000 0.000 0.195 511 E C 1.590 178.166 176.600 -0.040 0.000 1.029 511 E CA 0.119 56.502 56.400 -0.028 0.000 0.865 511 E CB -0.077 29.610 29.700 -0.023 0.000 0.833 511 E HN 0.372 nan 8.360 nan 0.000 0.510 512 A N 0.503 123.294 122.820 -0.049 0.000 2.531 512 A HA 0.198 4.518 4.320 -0.000 0.000 0.236 512 A C -0.318 177.182 177.584 -0.140 0.000 1.062 512 A CA 0.076 52.063 52.037 -0.084 0.000 0.760 512 A CB 0.065 19.002 19.000 -0.106 0.000 0.995 512 A HN 0.258 nan 8.150 nan 0.000 0.501 513 L N 3.239 124.388 121.223 -0.123 0.000 2.265 513 L HA 0.316 4.656 4.340 -0.000 0.000 0.289 513 L C 0.187 176.948 176.870 -0.182 0.000 1.033 513 L CA -0.362 54.409 54.840 -0.114 0.000 0.814 513 L CB 1.093 43.124 42.059 -0.048 0.000 1.203 513 L HN 0.669 nan 8.230 nan 0.000 0.423 514 L N 5.009 126.072 121.223 -0.267 0.000 2.416 514 L HA 0.130 4.470 4.340 -0.000 0.000 0.272 514 L C -0.241 176.402 176.870 -0.379 0.000 1.161 514 L CA 0.212 54.768 54.840 -0.473 0.000 0.845 514 L CB 0.235 41.908 42.059 -0.643 0.000 1.119 514 L HN 0.716 nan 8.230 nan 0.000 0.464 515 F N 1.279 121.212 119.950 -0.028 0.000 2.796 515 F HA -0.173 4.354 4.527 -0.000 0.000 0.285 515 F C 0.590 176.321 175.800 -0.116 0.000 0.742 515 F CA 0.101 58.047 58.000 -0.091 0.000 1.460 515 F CB -1.993 36.938 39.000 -0.114 0.000 1.656 515 F HN 0.522 nan 8.300 nan 0.000 0.390 516 E N 0.756 120.986 120.200 0.050 0.000 2.316 516 E HA 0.469 4.819 4.350 -0.000 0.000 0.275 516 E C 1.337 177.981 176.600 0.073 0.000 1.029 516 E CA 1.029 57.446 56.400 0.028 0.000 0.871 516 E CB 1.053 30.754 29.700 0.002 0.000 1.022 516 E HN 0.541 nan 8.360 nan 0.000 0.418 517 G N 3.557 112.366 108.800 0.015 0.000 2.238 517 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 517 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 517 G C 0.163 174.925 174.900 -0.230 0.000 0.996 517 G CA -0.270 44.837 45.100 0.012 0.000 0.632 517 G HN 0.421 nan 8.290 nan 0.000 0.503 518 I N 1.649 122.015 120.570 -0.340 0.000 2.307 518 I HA 0.409 4.579 4.170 -0.000 0.000 0.289 518 I C 1.119 177.139 176.117 -0.162 0.000 1.021 518 I CA -0.698 60.350 61.300 -0.421 0.000 1.224 518 I CB 1.186 38.731 38.000 -0.758 0.000 1.376 518 I HN -0.010 nan 8.210 nan 0.000 0.470 519 K N 4.153 124.510 120.400 -0.072 0.000 2.155 519 K HA 0.010 4.330 4.320 -0.000 0.000 0.203 519 K C 0.694 177.275 176.600 -0.031 0.000 1.052 519 K CA 1.137 57.396 56.287 -0.046 0.000 0.948 519 K CB 0.126 32.595 32.500 -0.052 0.000 0.728 519 K HN 0.302 nan 8.250 nan 0.000 0.448 520 K N 1.343 121.758 120.400 0.025 0.000 3.101 520 K HA 0.199 4.518 4.320 -0.000 0.000 0.229 520 K C -0.432 176.218 176.600 0.085 0.000 1.232 520 K CA -0.026 56.281 56.287 0.033 0.000 1.210 520 K CB 0.417 32.872 32.500 -0.076 0.000 1.284 520 K HN -0.059 nan 8.250 nan 0.000 0.448 521 K N 1.620 122.012 120.400 -0.013 0.000 2.562 521 K HA 0.153 4.472 4.320 -0.000 0.000 0.267 521 K C -0.944 175.624 176.600 -0.053 0.000 0.938 521 K CA -0.615 55.624 56.287 -0.080 0.000 0.840 521 K CB 2.222 34.570 32.500 -0.253 0.000 1.390 521 K HN 0.082 nan 8.250 nan 0.000 0.428 522 K N 3.522 123.896 120.400 -0.043 0.000 2.378 522 K HA 0.117 4.437 4.320 -0.000 0.000 0.288 522 K C 0.045 176.712 176.600 0.111 0.000 1.057 522 K CA -0.387 55.914 56.287 0.023 0.000 0.971 522 K CB 0.427 32.946 32.500 0.031 0.000 0.975 522 K HN 0.350 nan 8.250 nan 0.000 0.475 523 Q N 2.819 122.691 119.800 0.120 0.000 2.392 523 Q HA 0.053 4.392 4.340 -0.000 0.000 0.262 523 Q C -0.343 175.763 176.000 0.177 0.000 1.003 523 Q CA 0.366 56.271 55.803 0.171 0.000 0.888 523 Q CB 0.495 29.280 28.738 0.078 0.000 1.260 523 Q HN 0.545 nan 8.270 nan 0.000 0.435 524 Q N 0.851 120.755 119.800 0.173 0.000 2.347 524 Q HA 0.383 4.723 4.340 -0.000 0.000 0.271 524 Q C -1.002 175.013 176.000 0.024 0.000 1.064 524 Q CA -0.624 55.259 55.803 0.134 0.000 0.800 524 Q CB 2.492 31.377 28.738 0.246 0.000 1.304 524 Q HN 0.318 nan 8.270 nan 0.000 0.438 525 K N 1.842 122.252 120.400 0.017 0.000 2.218 525 K HA 0.255 4.575 4.320 -0.000 0.000 0.276 525 K C 1.015 177.572 176.600 -0.071 0.000 1.022 525 K CA -0.192 56.071 56.287 -0.040 0.000 0.946 525 K CB 1.106 33.597 32.500 -0.015 0.000 1.000 525 K HN 0.552 nan 8.250 nan 0.000 0.468 526 I N 2.702 123.168 120.570 -0.174 0.000 2.145 526 I HA -0.431 3.739 4.170 -0.000 0.000 0.244 526 I C 2.379 178.463 176.117 -0.055 0.000 1.075 526 I CA 1.773 62.934 61.300 -0.232 0.000 1.332 526 I CB -0.344 37.455 38.000 -0.335 0.000 1.033 526 I HN 0.698 nan 8.210 nan 0.000 0.410 527 K N 0.547 120.932 120.400 -0.024 0.000 2.147 527 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 527 K C 1.646 178.272 176.600 0.044 0.000 1.049 527 K CA 1.688 57.987 56.287 0.020 0.000 0.936 527 K CB -0.339 32.169 32.500 0.013 0.000 0.722 527 K HN 0.297 nan 8.250 nan 0.000 0.446 528 N N 1.154 119.880 118.700 0.043 0.000 2.250 528 N HA -0.013 4.727 4.740 -0.000 0.000 0.181 528 N C 1.934 177.500 175.510 0.094 0.000 1.017 528 N CA 1.012 54.102 53.050 0.068 0.000 0.866 528 N CB -0.179 38.351 38.487 0.071 0.000 0.985 528 N HN 0.220 nan 8.380 nan 0.000 0.429 529 I N 0.712 121.343 120.570 0.101 0.000 2.127 529 I HA -0.251 3.919 4.170 -0.000 0.000 0.241 529 I C 1.736 177.925 176.117 0.120 0.000 1.075 529 I CA 0.843 62.212 61.300 0.116 0.000 1.334 529 I CB -0.178 37.911 38.000 0.149 0.000 1.040 529 I HN 0.017 nan 8.210 nan 0.000 0.405 530 L N 0.525 121.834 121.223 0.142 0.000 2.042 530 L HA -0.199 4.140 4.340 -0.000 0.000 0.210 530 L C 2.759 179.732 176.870 0.172 0.000 1.076 530 L CA 2.216 57.182 54.840 0.210 0.000 0.749 530 L CB -1.437 40.733 42.059 0.184 0.000 0.893 530 L HN 0.394 nan 8.230 nan 0.000 0.432 531 S N -1.291 114.476 115.700 0.113 0.000 2.515 531 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 531 S C 1.120 175.766 174.600 0.076 0.000 0.987 531 S CA -0.029 58.221 58.200 0.084 0.000 0.936 531 S CB -0.710 62.528 63.200 0.063 0.000 0.766 531 S HN 0.436 nan 8.310 nan 0.000 0.528 532 N N 2.284 121.038 118.700 0.089 0.000 2.405 532 N HA 0.151 4.890 4.740 -0.000 0.000 0.260 532 N C 0.537 176.076 175.510 0.048 0.000 1.152 532 N CA 0.099 53.188 53.050 0.065 0.000 0.948 532 N CB 0.730 39.259 38.487 0.070 0.000 1.111 532 N HN 0.397 nan 8.380 nan 0.000 0.485 533 K N 1.741 122.153 120.400 0.020 0.000 2.167 533 K HA -0.018 4.302 4.320 -0.000 0.000 0.203 533 K C 1.310 177.888 176.600 -0.035 0.000 1.052 533 K CA 1.029 57.316 56.287 0.001 0.000 0.956 533 K CB 0.251 32.752 32.500 0.001 0.000 0.735 533 K HN 0.468 nan 8.250 nan 0.000 0.451 534 T N 2.328 116.837 114.554 -0.075 0.000 2.812 534 T HA -0.058 4.292 4.350 -0.000 0.000 0.264 534 T C 1.696 176.189 174.700 -0.345 0.000 1.042 534 T CA 0.577 62.555 62.100 -0.202 0.000 1.140 534 T CB -0.078 68.662 68.868 -0.214 0.000 0.870 534 T HN 0.129 nan 8.240 nan 0.000 0.445 535 L N 1.013 122.121 121.223 -0.192 0.000 2.042 535 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 535 L C 2.756 179.652 176.870 0.044 0.000 1.076 535 L CA 1.719 56.498 54.840 -0.100 0.000 0.749 535 L CB -0.426 41.596 42.059 -0.061 0.000 0.893 535 L HN 0.226 nan 8.230 nan 0.000 0.432 536 R N -0.089 120.448 120.500 0.062 0.000 2.081 536 R HA -0.196 4.144 4.340 -0.000 0.000 0.235 536 R C 2.083 178.384 176.300 0.001 0.000 1.131 536 R CA 1.708 57.822 56.100 0.022 0.000 0.960 536 R CB -0.072 30.190 30.300 -0.063 0.000 0.856 536 R HN 0.465 nan 8.270 nan 0.000 0.436 537 E N -0.840 119.370 120.200 0.017 0.000 2.058 537 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 537 E C 2.014 178.747 176.600 0.222 0.000 0.997 537 E CA 1.456 57.904 56.400 0.081 0.000 0.801 537 E CB -0.184 29.561 29.700 0.074 0.000 0.746 537 E HN 0.466 nan 8.360 nan 0.000 0.450 538 H N 0.750 119.877 119.070 0.095 0.000 2.289 538 H HA -0.083 4.473 4.556 -0.000 0.000 0.296 538 H C 1.844 177.281 175.328 0.181 0.000 1.091 538 H CA 1.198 57.338 56.048 0.154 0.000 1.274 538 H CB -0.407 29.447 29.762 0.154 0.000 1.364 538 H HN 0.157 nan 8.280 nan 0.000 0.490 539 N N 0.195 119.068 118.700 0.287 0.000 2.459 539 N HA -0.060 4.680 4.740 -0.000 0.000 0.181 539 N C 1.664 177.222 175.510 0.081 0.000 1.046 539 N CA 0.779 53.958 53.050 0.214 0.000 0.904 539 N CB 0.130 38.797 38.487 0.300 0.000 0.964 539 N HN 0.241 nan 8.380 nan 0.000 0.444 540 S N 0.640 116.374 115.700 0.056 0.000 2.371 540 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 540 S C 1.625 176.223 174.600 -0.005 0.000 1.029 540 S CA 0.314 58.510 58.200 -0.007 0.000 0.978 540 S CB -0.310 62.886 63.200 -0.008 0.000 0.833 540 S HN 0.390 nan 8.310 nan 0.000 0.466 541 F N 2.761 122.672 119.950 -0.065 0.000 2.102 541 F HA -0.144 4.383 4.527 0.000 0.000 0.298 541 F C 2.116 177.771 175.800 -0.241 0.000 1.105 541 F CA 1.109 59.039 58.000 -0.115 0.000 1.239 541 F CB -0.413 38.545 39.000 -0.070 0.000 0.991 541 F HN -0.061 nan 8.300 nan 0.000 0.474 542 V N 0.825 120.513 119.914 -0.377 0.000 2.287 542 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 542 V C 2.382 178.028 176.094 -0.748 0.000 1.053 542 V CA 2.360 64.232 62.300 -0.714 0.000 1.027 542 V CB -0.873 30.737 31.823 -0.356 0.000 0.646 542 V HN 0.476 nan 8.190 nan 0.000 0.447 543 E N 0.138 120.108 120.200 -0.382 0.000 2.097 543 E HA -0.330 4.020 4.350 -0.000 0.000 0.196 543 E C 2.376 178.770 176.600 -0.343 0.000 1.000 543 E CA 1.928 58.158 56.400 -0.283 0.000 0.804 543 E CB -0.096 29.520 29.700 -0.141 0.000 0.740 543 E HN 0.521 nan 8.360 nan 0.000 0.454 544 R N -0.125 120.146 120.500 -0.381 0.000 2.081 544 R HA -0.128 4.211 4.340 -0.000 0.000 0.235 544 R C 2.403 178.440 176.300 -0.439 0.000 1.131 544 R CA 1.885 57.789 56.100 -0.327 0.000 0.960 544 R CB -0.580 29.559 30.300 -0.268 0.000 0.856 544 R HN 0.267 nan 8.270 nan 0.000 0.436 545 C N 0.192 118.987 119.300 -0.843 0.000 2.413 545 C HA -0.062 4.398 4.460 -0.000 0.000 0.276 545 C C 2.508 176.987 174.990 -0.852 0.000 1.236 545 C CA 0.728 59.100 59.018 -1.078 0.000 1.735 545 C CB -0.858 25.519 27.740 -2.272 0.000 2.031 545 C HN 0.543 nan 8.230 nan 0.000 0.474 546 I N 0.976 121.023 120.570 -0.873 0.000 2.252 546 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 546 I C 2.109 178.071 176.117 -0.258 0.000 1.102 546 I CA 1.447 62.411 61.300 -0.559 0.000 1.385 546 I CB -0.646 37.130 38.000 -0.374 0.000 1.064 546 I HN 0.274 nan 8.210 nan 0.000 0.414 547 D N 0.408 120.687 120.400 -0.202 0.000 2.149 547 D HA -0.245 4.395 4.640 -0.000 0.000 0.198 547 D C 1.718 178.003 176.300 -0.025 0.000 0.990 547 D CA 1.025 54.972 54.000 -0.089 0.000 0.839 547 D CB -0.361 40.394 40.800 -0.074 0.000 0.948 547 D HN 0.499 nan 8.370 nan 0.000 0.460 548 W N 1.873 123.059 121.300 -0.190 0.000 2.335 548 W HA -0.180 4.480 4.660 0.001 0.000 0.311 548 W C 1.688 178.163 176.519 -0.074 0.000 1.213 548 W CA 0.995 58.268 57.345 -0.120 0.000 1.274 548 W CB -0.269 29.126 29.460 -0.109 0.000 1.148 548 W HN -0.034 nan 8.180 nan 0.000 0.498 549 N N 0.509 119.234 118.700 0.041 0.000 2.120 549 N HA -0.206 4.534 4.740 -0.000 0.000 0.188 549 N C 1.961 177.468 175.510 -0.005 0.000 1.024 549 N CA 1.418 54.486 53.050 0.030 0.000 0.852 549 N CB -0.727 37.790 38.487 0.050 0.000 1.003 549 N HN 0.265 nan 8.380 nan 0.000 0.424 550 R N 1.289 121.777 120.500 -0.020 0.000 2.094 550 R HA -0.143 4.197 4.340 -0.000 0.000 0.239 550 R C 1.499 177.763 176.300 -0.060 0.000 1.137 550 R CA 1.403 57.494 56.100 -0.015 0.000 0.943 550 R CB 0.078 30.364 30.300 -0.023 0.000 0.850 550 R HN 0.181 nan 8.270 nan 0.000 0.433 551 E N 0.482 120.601 120.200 -0.134 0.000 2.152 551 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 551 E C 1.928 178.402 176.600 -0.211 0.000 0.983 551 E CA 0.487 56.783 56.400 -0.173 0.000 0.818 551 E CB -0.277 29.286 29.700 -0.229 0.000 0.758 551 E HN 0.216 nan 8.360 nan 0.000 0.467 552 L N 0.874 121.927 121.223 -0.283 0.000 2.017 552 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 552 L C 2.198 179.003 176.870 -0.109 0.000 1.073 552 L CA 1.443 56.136 54.840 -0.245 0.000 0.745 552 L CB -0.726 41.168 42.059 -0.275 0.000 0.894 552 L HN 0.066 nan 8.230 nan 0.000 0.432 553 L N -0.994 120.203 121.223 -0.044 0.000 2.093 553 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 553 L C 2.540 179.418 176.870 0.013 0.000 1.085 553 L CA 1.243 56.092 54.840 0.016 0.000 0.755 553 L CB -0.508 41.596 42.059 0.075 0.000 0.904 553 L HN 0.203 nan 8.230 nan 0.000 0.435 554 K N -0.109 120.287 120.400 -0.008 0.000 2.009 554 K HA -0.249 4.071 4.320 -0.000 0.000 0.210 554 K C 2.253 178.841 176.600 -0.021 0.000 1.049 554 K CA 1.774 58.059 56.287 -0.004 0.000 0.929 554 K CB -0.200 32.286 32.500 -0.023 0.000 0.714 554 K HN 0.148 nan 8.250 nan 0.000 0.440 555 R N 1.045 121.511 120.500 -0.057 0.000 2.070 555 R HA -0.135 4.205 4.340 -0.000 0.000 0.233 555 R C 1.734 178.005 176.300 -0.049 0.000 1.137 555 R CA 1.640 57.705 56.100 -0.058 0.000 0.945 555 R CB 0.042 30.288 30.300 -0.091 0.000 0.845 555 R HN 0.080 nan 8.270 nan 0.000 0.430 556 E N 0.015 120.176 120.200 -0.067 0.000 2.358 556 E HA -0.068 4.281 4.350 -0.000 0.000 0.195 556 E C 1.197 177.724 176.600 -0.120 0.000 1.010 556 E CA 0.563 56.907 56.400 -0.093 0.000 0.856 556 E CB 0.322 29.957 29.700 -0.107 0.000 0.795 556 E HN 0.285 nan 8.360 nan 0.000 0.504 557 L N -0.885 120.303 121.223 -0.057 0.000 2.766 557 L HA 0.287 4.627 4.340 -0.000 0.000 0.242 557 L C 1.169 178.063 176.870 0.040 0.000 1.136 557 L CA 0.536 55.356 54.840 -0.034 0.000 0.933 557 L CB 0.115 42.189 42.059 0.026 0.000 1.241 557 L HN 0.143 nan 8.230 nan 0.000 0.522 558 G N 0.554 109.374 108.800 0.034 0.000 2.198 558 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 558 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 558 G C 0.303 175.245 174.900 0.069 0.000 1.025 558 G CA 0.264 45.394 45.100 0.049 0.000 0.769 558 G HN 0.269 nan 8.290 nan 0.000 0.507 559 L N -0.180 121.094 121.223 0.084 0.000 2.395 559 L HA 0.659 4.999 4.340 -0.000 0.000 0.269 559 L C 0.948 177.847 176.870 0.047 0.000 1.133 559 L CA -0.112 54.789 54.840 0.102 0.000 0.812 559 L CB 1.226 43.375 42.059 0.150 0.000 1.125 559 L HN 0.345 nan 8.230 nan 0.000 0.452 560 A N 1.318 124.156 122.820 0.029 0.000 2.299 560 A HA 0.379 4.699 4.320 -0.000 0.000 0.332 560 A C 0.821 178.410 177.584 0.007 0.000 1.131 560 A CA -0.555 51.487 52.037 0.008 0.000 0.844 560 A CB 0.945 19.942 19.000 -0.005 0.000 1.251 560 A HN 0.781 nan 8.150 nan 0.000 0.486 561 E N 0.653 120.854 120.200 0.001 0.000 2.130 561 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 561 E C 2.187 178.786 176.600 -0.003 0.000 0.998 561 E CA 1.958 58.359 56.400 0.001 0.000 0.806 561 E CB -0.414 29.284 29.700 -0.003 0.000 0.738 561 E HN 0.785 nan 8.360 nan 0.000 0.459 562 S N 0.810 116.502 115.700 -0.014 0.000 2.500 562 S HA -0.108 4.361 4.470 -0.000 0.000 0.239 562 S C 1.093 175.664 174.600 -0.048 0.000 0.989 562 S CA 0.840 59.024 58.200 -0.027 0.000 0.951 562 S CB 0.001 63.181 63.200 -0.033 0.000 0.759 562 S HN 0.079 nan 8.310 nan 0.000 0.523 563 D N 1.086 121.459 120.400 -0.044 0.000 2.340 563 D HA 0.284 4.923 4.640 -0.000 0.000 0.220 563 D C 0.240 176.551 176.300 0.019 0.000 1.039 563 D CA 0.305 54.264 54.000 -0.067 0.000 0.866 563 D CB 0.206 40.979 40.800 -0.045 0.000 0.913 563 D HN 0.494 nan 8.370 nan 0.000 0.523 564 I N 1.281 121.864 120.570 0.021 0.000 2.433 564 I HA 0.343 4.513 4.170 -0.000 0.000 0.292 564 I C -0.280 175.850 176.117 0.022 0.000 1.001 564 I CA -0.672 60.647 61.300 0.033 0.000 1.119 564 I CB 2.411 40.429 38.000 0.031 0.000 1.289 564 I HN -0.377 nan 8.210 nan 0.000 0.438 565 I N 4.717 125.302 120.570 0.024 0.000 2.436 565 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 565 I C -0.783 175.354 176.117 0.033 0.000 1.010 565 I CA -0.699 60.617 61.300 0.027 0.000 1.098 565 I CB 1.919 39.937 38.000 0.030 0.000 1.266 565 I HN 0.451 nan 8.210 nan 0.000 0.434 566 D N 6.786 127.209 120.400 0.039 0.000 2.264 566 D HA 0.349 4.989 4.640 -0.000 0.000 0.250 566 D C -0.263 176.075 176.300 0.064 0.000 1.113 566 D CA -0.056 53.976 54.000 0.053 0.000 0.871 566 D CB 2.147 42.977 40.800 0.049 0.000 1.167 566 D HN 0.138 nan 8.370 nan 0.000 0.447 567 I N 4.217 124.837 120.570 0.084 0.000 2.339 567 I HA 0.191 4.361 4.170 -0.000 0.000 0.290 567 I C -2.204 173.979 176.117 0.110 0.000 0.994 567 I CA -2.749 58.609 61.300 0.098 0.000 1.191 567 I CB 1.300 39.366 38.000 0.110 0.000 1.343 567 I HN -0.055 nan 8.210 nan 0.000 0.458 568 P HA 0.099 nan 4.420 nan 0.000 0.262 568 P C -0.672 176.727 177.300 0.165 0.000 1.199 568 P CA 0.040 63.191 63.100 0.083 0.000 0.763 568 P CB 0.765 32.481 31.700 0.026 0.000 0.790 569 Q N 3.038 122.902 119.800 0.107 0.000 2.313 569 Q HA 0.453 4.793 4.340 -0.000 0.000 0.255 569 Q C -2.005 173.869 176.000 -0.210 0.000 0.944 569 Q CA -0.463 55.299 55.803 -0.067 0.000 0.881 569 Q CB 0.897 29.608 28.738 -0.045 0.000 1.375 569 Q HN 0.143 nan 8.270 nan 0.000 0.422 570 L N 3.996 124.867 121.223 -0.586 0.000 2.343 570 L HA 0.687 5.027 4.340 -0.000 0.000 0.275 570 L C -0.874 175.703 176.870 -0.488 0.000 1.056 570 L CA -0.002 54.623 54.840 -0.358 0.000 0.804 570 L CB 0.908 42.809 42.059 -0.263 0.000 1.203 570 L HN 0.706 nan 8.230 nan 0.000 0.440 571 F N 1.246 121.210 119.950 0.023 0.000 2.631 571 F HA 0.658 5.185 4.527 -0.000 0.000 0.328 571 F C -0.228 175.703 175.800 0.219 0.000 1.067 571 F CA -0.837 57.254 58.000 0.151 0.000 0.969 571 F CB 1.758 40.870 39.000 0.187 0.000 1.332 571 F HN 0.330 nan 8.300 nan 0.000 0.490 572 K N 1.444 122.142 120.400 0.497 0.000 2.464 572 K HA 0.683 5.003 4.320 -0.000 0.000 0.253 572 K C -1.954 174.849 176.600 0.338 0.000 0.933 572 K CA -0.750 55.816 56.287 0.464 0.000 0.801 572 K CB 2.177 34.990 32.500 0.521 0.000 1.271 572 K HN 0.597 nan 8.250 nan 0.000 0.430 573 L N 3.167 124.503 121.223 0.189 0.000 2.312 573 L HA 0.404 4.744 4.340 -0.000 0.000 0.281 573 L C 0.389 177.278 176.870 0.032 0.000 1.070 573 L CA -0.521 54.288 54.840 -0.050 0.000 0.805 573 L CB 0.918 42.672 42.059 -0.509 0.000 1.174 573 L HN 0.758 nan 8.230 nan 0.000 0.434 574 K N 1.477 121.901 120.400 0.041 0.000 2.328 574 K HA 0.305 4.625 4.320 -0.000 0.000 0.305 574 K C -0.478 176.097 176.600 -0.042 0.000 0.963 574 K CA -0.912 55.395 56.287 0.033 0.000 0.930 574 K CB 0.287 32.826 32.500 0.066 0.000 3.478 574 K HN 0.421 nan 8.250 nan 0.000 1.191 575 E N 1.254 121.398 120.200 -0.092 0.000 2.820 575 E HA -0.120 4.230 4.350 -0.000 0.000 0.251 575 E C -0.865 175.633 176.600 -0.170 0.000 0.944 575 E CA 0.618 56.845 56.400 -0.288 0.000 0.955 575 E CB -0.308 29.249 29.700 -0.238 0.000 0.904 575 E HN 0.348 nan 8.360 nan 0.000 0.513 576 F N 1.215 121.150 119.950 -0.026 0.000 3.084 576 F HA -0.318 4.209 4.527 -0.000 0.000 0.286 576 F C 0.956 176.732 175.800 -0.041 0.000 0.855 576 F CA 0.803 58.784 58.000 -0.032 0.000 1.091 576 F CB -2.630 36.352 39.000 -0.032 0.000 1.177 576 F HN 0.498 nan 8.300 nan 0.000 0.542 577 S N -2.102 113.615 115.700 0.028 0.000 3.521 577 S HA -0.229 4.241 4.470 -0.000 0.000 0.328 577 S C 0.500 175.118 174.600 0.031 0.000 1.165 577 S CA 1.066 59.243 58.200 -0.039 0.000 0.941 577 S CB -0.669 62.467 63.200 -0.106 0.000 0.951 577 S HN 0.471 nan 8.310 nan 0.000 0.539 578 K N 1.096 121.549 120.400 0.088 0.000 2.118 578 K HA 0.701 5.021 4.320 -0.000 0.000 0.267 578 K C 0.369 177.034 176.600 0.109 0.000 0.991 578 K CA -0.068 56.285 56.287 0.112 0.000 0.916 578 K CB 1.205 33.761 32.500 0.093 0.000 1.041 578 K HN 0.317 nan 8.250 nan 0.000 0.455 579 A N 2.782 125.681 122.820 0.131 0.000 2.327 579 A HA 0.377 4.697 4.320 -0.000 0.000 0.283 579 A C -0.359 177.333 177.584 0.180 0.000 1.127 579 A CA -0.304 51.854 52.037 0.202 0.000 0.810 579 A CB 0.395 19.559 19.000 0.274 0.000 1.066 579 A HN 0.712 nan 8.150 nan 0.000 0.492 580 E N 0.508 120.898 120.200 0.316 0.000 2.393 580 E HA 0.558 4.907 4.350 -0.000 0.000 0.273 580 E C -0.763 176.042 176.600 0.341 0.000 0.918 580 E CA -1.081 55.486 56.400 0.280 0.000 0.773 580 E CB 2.141 31.962 29.700 0.200 0.000 1.275 580 E HN 0.787 nan 8.360 nan 0.000 0.451 581 A N 1.452 124.368 122.820 0.160 0.000 2.454 581 A HA 0.149 4.469 4.320 -0.000 0.000 0.260 581 A C 0.153 177.785 177.584 0.080 0.000 1.106 581 A CA -0.051 51.941 52.037 -0.075 0.000 0.780 581 A CB -0.281 18.695 19.000 -0.040 0.000 1.044 581 A HN 0.806 nan 8.150 nan 0.000 0.498 582 F N 2.792 122.628 119.950 -0.190 0.000 2.146 582 F HA 0.136 4.663 4.527 -0.000 0.000 0.298 582 F C 0.421 176.407 175.800 0.311 0.000 1.096 582 F CA 1.398 59.429 58.000 0.052 0.000 1.275 582 F CB 0.040 39.038 39.000 -0.003 0.000 1.008 582 F HN 0.644 nan 8.300 nan 0.000 0.480 583 F N -1.996 118.139 119.950 0.309 0.000 2.650 583 F HA 0.639 5.166 4.527 -0.000 0.000 0.320 583 F C -2.973 172.778 175.800 -0.082 0.000 1.091 583 F CA -3.990 54.141 58.000 0.217 0.000 0.962 583 F CB -0.540 38.616 39.000 0.261 0.000 1.363 583 F HN -0.421 nan 8.300 nan 0.000 0.482 584 P HA -0.105 nan 4.420 nan 0.000 0.257 584 P C -0.493 176.878 177.300 0.118 0.000 1.162 584 P CA 0.503 63.486 63.100 -0.196 0.000 0.762 584 P CB 0.164 31.851 31.700 -0.021 0.000 0.753 585 N N 3.947 122.697 118.700 0.084 0.000 2.410 585 N HA 0.025 4.765 4.740 -0.000 0.000 0.281 585 N C 1.110 176.698 175.510 0.130 0.000 1.241 585 N CA 0.364 53.445 53.050 0.051 0.000 0.998 585 N CB -0.035 38.496 38.487 0.074 0.000 1.376 585 N HN 0.378 nan 8.380 nan 0.000 0.490 586 M N 1.565 121.261 119.600 0.161 0.000 2.374 586 M HA -0.114 4.365 4.480 -0.000 0.000 0.264 586 M C 1.750 178.131 176.300 0.135 0.000 1.067 586 M CA 0.761 56.173 55.300 0.187 0.000 1.103 586 M CB 0.138 32.883 32.600 0.241 0.000 1.402 586 M HN 0.287 nan 8.290 nan 0.000 0.444 587 V N 0.785 120.769 119.914 0.117 0.000 3.217 587 V HA -0.085 4.034 4.120 -0.000 0.000 0.264 587 V C 1.065 177.178 176.094 0.032 0.000 1.135 587 V CA 1.036 63.380 62.300 0.073 0.000 1.142 587 V CB -0.566 31.310 31.823 0.088 0.000 0.754 587 V HN 0.425 nan 8.190 nan 0.000 0.484 588 N N 2.122 120.870 118.700 0.080 0.000 3.245 588 N HA 0.156 4.896 4.740 -0.000 0.000 0.296 588 N C -0.153 175.449 175.510 0.153 0.000 1.254 588 N CA -0.134 52.974 53.050 0.097 0.000 1.190 588 N CB -0.068 38.521 38.487 0.170 0.000 1.460 588 N HN 0.663 nan 8.380 nan 0.000 0.538 589 M N -0.082 119.571 119.600 0.088 0.000 2.664 589 M HA 0.451 4.930 4.480 -0.000 0.000 0.314 589 M C -1.021 175.382 176.300 0.172 0.000 1.200 589 M CA -1.116 54.249 55.300 0.108 0.000 0.916 589 M CB 1.831 34.458 32.600 0.045 0.000 1.717 589 M HN -0.078 nan 8.290 nan 0.000 0.470 590 L N 2.715 124.018 121.223 0.133 0.000 2.257 590 L HA 0.551 4.891 4.340 -0.000 0.000 0.290 590 L C -1.405 175.520 176.870 0.092 0.000 1.044 590 L CA -0.261 54.664 54.840 0.142 0.000 0.810 590 L CB 1.308 43.408 42.059 0.068 0.000 1.193 590 L HN 0.632 nan 8.230 nan 0.000 0.425 591 V N 7.159 127.144 119.914 0.119 0.000 2.333 591 V HA 0.329 4.449 4.120 -0.000 0.000 0.274 591 V C -0.268 175.877 176.094 0.084 0.000 1.028 591 V CA -0.393 61.959 62.300 0.088 0.000 0.851 591 V CB 1.115 32.995 31.823 0.095 0.000 1.000 591 V HN 0.493 nan 8.190 nan 0.000 0.456 592 L N 5.921 127.191 121.223 0.078 0.000 2.506 592 L HA 0.694 5.034 4.340 -0.000 0.000 0.247 592 L C 0.944 177.874 176.870 0.100 0.000 1.141 592 L CA 0.980 55.870 54.840 0.084 0.000 0.973 592 L CB -0.012 42.092 42.059 0.074 0.000 1.319 592 L HN 0.896 nan 8.230 nan 0.000 0.455 593 G N 2.051 110.888 108.800 0.063 0.000 2.583 593 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.292 593 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.292 593 G C 0.998 175.896 174.900 -0.003 0.000 1.203 593 G CA 0.252 45.373 45.100 0.035 0.000 0.987 593 G HN 0.357 nan 8.290 nan 0.000 0.554 594 K N 1.799 122.147 120.400 -0.087 0.000 2.486 594 K HA 0.140 4.460 4.320 -0.000 0.000 0.194 594 K C 0.910 177.358 176.600 -0.254 0.000 1.033 594 K CA 0.448 56.631 56.287 -0.173 0.000 1.004 594 K CB -0.244 32.119 32.500 -0.227 0.000 0.798 594 K HN 0.609 nan 8.250 nan 0.000 0.495 595 H N 0.686 119.746 119.070 -0.016 0.000 2.652 595 H HA 0.221 4.777 4.556 -0.000 0.000 0.298 595 H C -0.162 175.140 175.328 -0.044 0.000 1.076 595 H CA -0.311 55.716 56.048 -0.035 0.000 1.360 595 H CB 0.527 30.268 29.762 -0.034 0.000 1.421 595 H HN -0.082 nan 8.280 nan 0.000 0.464 596 L N 2.127 123.365 121.223 0.024 0.000 2.322 596 L HA 0.408 4.748 4.340 -0.000 0.000 0.281 596 L C 0.943 177.757 176.870 -0.094 0.000 1.014 596 L CA -0.989 53.829 54.840 -0.035 0.000 0.815 596 L CB 1.904 43.917 42.059 -0.076 0.000 1.247 596 L HN 0.614 nan 8.230 nan 0.000 0.421 597 G N 4.833 113.590 108.800 -0.071 0.000 2.607 597 G HA2 0.607 4.567 3.960 -0.000 0.000 0.332 597 G HA3 0.607 4.567 3.960 -0.000 0.000 0.332 597 G C -0.426 174.426 174.900 -0.080 0.000 1.046 597 G CA -0.283 44.756 45.100 -0.101 0.000 1.099 597 G HN 0.440 nan 8.290 nan 0.000 0.451 598 I N 3.949 124.421 120.570 -0.163 0.000 2.377 598 I HA 0.301 4.471 4.170 -0.000 0.000 0.293 598 I C -2.014 174.151 176.117 0.079 0.000 0.987 598 I CA -2.642 58.606 61.300 -0.087 0.000 1.185 598 I CB 2.702 40.526 38.000 -0.294 0.000 1.341 598 I HN 0.243 nan 8.210 nan 0.000 0.455 599 P HA -0.019 nan 4.420 nan 0.000 0.265 599 P C -0.740 176.722 177.300 0.270 0.000 1.193 599 P CA -0.227 63.008 63.100 0.225 0.000 0.765 599 P CB 0.612 32.444 31.700 0.221 0.000 0.823 600 K N 5.607 126.132 120.400 0.209 0.000 2.363 600 K HA 0.090 4.410 4.320 -0.000 0.000 0.289 600 K C -1.356 175.207 176.600 -0.061 0.000 1.063 600 K CA -1.613 54.669 56.287 -0.007 0.000 0.967 600 K CB 0.434 32.764 32.500 -0.283 0.000 0.987 600 K HN 0.319 nan 8.250 nan 0.000 0.473 601 P HA -0.079 nan 4.420 nan 0.000 0.231 601 P C -0.416 176.922 177.300 0.063 0.000 1.168 601 P CA 0.278 63.391 63.100 0.022 0.000 0.779 601 P CB -0.043 31.557 31.700 -0.168 0.000 0.844 602 F N -0.648 119.249 119.950 -0.089 0.000 2.969 602 F HA -0.166 4.360 4.527 -0.000 0.000 0.273 602 F C 1.288 176.945 175.800 -0.237 0.000 0.986 602 F CA 0.173 58.105 58.000 -0.113 0.000 0.926 602 F CB -2.089 36.892 39.000 -0.032 0.000 0.887 602 F HN 0.011 nan 8.300 nan 0.000 0.816 603 G N 0.041 108.701 108.800 -0.234 0.000 2.621 603 G HA2 0.545 4.504 3.960 -0.000 0.000 0.271 603 G HA3 0.545 4.504 3.960 -0.000 0.000 0.271 603 G C -2.560 172.190 174.900 -0.250 0.000 1.236 603 G CA -1.379 43.532 45.100 -0.315 0.000 0.958 603 G HN 0.025 nan 8.290 nan 0.000 0.512 604 P HA 0.139 nan 4.420 nan 0.000 0.263 604 P C -0.256 176.920 177.300 -0.207 0.000 1.195 604 P CA -0.209 62.728 63.100 -0.272 0.000 0.762 604 P CB 0.866 32.330 31.700 -0.394 0.000 0.799 605 V N 6.399 126.222 119.914 -0.151 0.000 2.389 605 V HA 0.207 4.327 4.120 -0.000 0.000 0.264 605 V C 0.530 176.547 176.094 -0.128 0.000 1.049 605 V CA 0.161 62.386 62.300 -0.126 0.000 0.932 605 V CB 0.058 31.833 31.823 -0.080 0.000 1.011 605 V HN 0.384 nan 8.190 nan 0.000 0.475 606 I N 4.676 125.144 120.570 -0.169 0.000 2.466 606 I HA 0.444 4.614 4.170 -0.000 0.000 0.289 606 I C 0.431 176.453 176.117 -0.158 0.000 1.026 606 I CA -0.353 60.809 61.300 -0.229 0.000 1.078 606 I CB 1.545 39.264 38.000 -0.468 0.000 1.249 606 I HN 0.631 nan 8.210 nan 0.000 0.429 607 N N 5.136 123.787 118.700 -0.083 0.000 2.740 607 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 607 N C 0.826 176.309 175.510 -0.046 0.000 1.062 607 N CA 1.380 54.405 53.050 -0.042 0.000 0.704 607 N CB -0.760 37.700 38.487 -0.045 0.000 0.968 607 N HN 1.164 nan 8.380 nan 0.000 0.547 608 G N -1.204 107.570 108.800 -0.044 0.000 2.179 608 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.260 608 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.260 608 G C 0.039 174.905 174.900 -0.057 0.000 0.977 608 G CA 0.544 45.621 45.100 -0.040 0.000 0.641 608 G HN 0.680 nan 8.290 nan 0.000 0.533 609 R N -0.624 119.826 120.500 -0.083 0.000 2.604 609 R HA 0.436 4.776 4.340 -0.000 0.000 0.281 609 R C 0.164 176.378 176.300 -0.144 0.000 1.020 609 R CA -0.162 55.874 56.100 -0.106 0.000 0.899 609 R CB 1.193 31.437 30.300 -0.094 0.000 1.205 609 R HN 0.531 nan 8.270 nan 0.000 0.450 610 C N 5.175 124.366 119.300 -0.182 0.000 2.517 610 C HA -0.004 4.456 4.460 -0.000 0.000 0.403 610 C C 2.363 177.224 174.990 -0.216 0.000 1.467 610 C CA -0.265 58.618 59.018 -0.224 0.000 1.542 610 C CB -1.407 26.147 27.740 -0.309 0.000 2.482 610 C HN 0.938 nan 8.230 nan 0.000 0.610 611 C N 4.724 123.915 119.300 -0.182 0.000 2.448 611 C HA 0.009 4.469 4.460 -0.000 0.000 0.280 611 C C 2.182 177.109 174.990 -0.104 0.000 1.398 611 C CA 0.566 59.506 59.018 -0.131 0.000 1.774 611 C CB -1.837 25.837 27.740 -0.110 0.000 1.888 611 C HN 0.920 nan 8.230 nan 0.000 0.519 612 L N 1.117 122.252 121.223 -0.146 0.000 2.027 612 L HA -0.082 4.257 4.340 -0.000 0.000 0.206 612 L C 3.045 179.802 176.870 -0.187 0.000 1.074 612 L CA 1.905 56.656 54.840 -0.148 0.000 0.745 612 L CB -0.736 41.177 42.059 -0.243 0.000 0.898 612 L HN 0.348 nan 8.230 nan 0.000 0.433 613 E N -0.250 119.719 120.200 -0.385 0.000 2.058 613 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 613 E C 2.144 178.621 176.600 -0.205 0.000 0.997 613 E CA 1.149 57.179 56.400 -0.616 0.000 0.801 613 E CB -0.095 28.984 29.700 -1.034 0.000 0.746 613 E HN 0.363 nan 8.360 nan 0.000 0.450 614 E N 1.046 121.150 120.200 -0.160 0.000 2.058 614 E HA -0.242 4.107 4.350 -0.000 0.000 0.194 614 E C 2.027 178.618 176.600 -0.015 0.000 0.997 614 E CA 1.191 57.553 56.400 -0.065 0.000 0.801 614 E CB 0.042 29.696 29.700 -0.077 0.000 0.746 614 E HN -0.064 nan 8.360 nan 0.000 0.450 615 K N 0.507 120.895 120.400 -0.019 0.000 2.026 615 K HA -0.099 4.220 4.320 -0.000 0.000 0.208 615 K C 2.094 178.723 176.600 0.048 0.000 1.048 615 K CA 1.296 57.591 56.287 0.014 0.000 0.929 615 K CB -0.674 31.833 32.500 0.012 0.000 0.713 615 K HN -0.014 nan 8.250 nan 0.000 0.439 616 V N 0.224 120.184 119.914 0.077 0.000 2.295 616 V HA -0.345 3.775 4.120 -0.000 0.000 0.246 616 V C 2.518 178.696 176.094 0.140 0.000 1.049 616 V CA 1.993 64.377 62.300 0.141 0.000 1.024 616 V CB -0.591 31.388 31.823 0.261 0.000 0.648 616 V HN 0.474 nan 8.190 nan 0.000 0.447 617 C N 0.665 120.062 119.300 0.163 0.000 2.398 617 C HA -0.177 4.283 4.460 -0.000 0.000 0.276 617 C C 3.290 178.321 174.990 0.069 0.000 1.222 617 C CA 1.647 60.740 59.018 0.125 0.000 1.746 617 C CB -1.213 26.604 27.740 0.128 0.000 2.039 617 C HN 0.793 nan 8.230 nan 0.000 0.470 618 S N 0.637 116.368 115.700 0.051 0.000 2.419 618 S HA -0.107 4.362 4.470 -0.000 0.000 0.235 618 S C 1.588 176.208 174.600 0.033 0.000 1.019 618 S CA 1.518 59.738 58.200 0.034 0.000 0.982 618 S CB -0.634 62.580 63.200 0.024 0.000 0.789 618 S HN 0.664 nan 8.310 nan 0.000 0.490 619 L N -0.156 121.093 121.223 0.043 0.000 2.162 619 L HA 0.237 4.577 4.340 -0.000 0.000 0.205 619 L C 2.346 179.237 176.870 0.035 0.000 1.086 619 L CA 0.748 55.611 54.840 0.038 0.000 0.778 619 L CB -0.239 41.848 42.059 0.046 0.000 0.928 619 L HN 0.307 nan 8.230 nan 0.000 0.446 620 L N -1.594 119.653 121.223 0.040 0.000 2.425 620 L HA 0.061 4.401 4.340 -0.000 0.000 0.215 620 L C 2.227 179.108 176.870 0.018 0.000 1.065 620 L CA 0.231 55.088 54.840 0.030 0.000 0.842 620 L CB -0.195 41.882 42.059 0.030 0.000 1.033 620 L HN 0.144 nan 8.230 nan 0.000 0.474 621 E N 1.031 121.244 120.200 0.022 0.000 2.085 621 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 621 E C -0.709 175.895 176.600 0.006 0.000 0.994 621 E CA 1.175 57.583 56.400 0.013 0.000 0.801 621 E CB -0.901 28.812 29.700 0.021 0.000 0.743 621 E HN 0.387 nan 8.360 nan 0.000 0.453 622 P HA -0.163 nan 4.420 nan 0.000 0.222 622 P C 0.767 178.068 177.300 0.001 0.000 1.142 622 P CA 1.155 64.258 63.100 0.005 0.000 0.788 622 P CB 0.005 31.710 31.700 0.008 0.000 0.767 623 L N -3.011 118.213 121.223 0.002 0.000 2.592 623 L HA 0.297 4.637 4.340 -0.000 0.000 0.227 623 L C 1.411 178.276 176.870 -0.008 0.000 1.127 623 L CA 0.459 55.299 54.840 0.000 0.000 0.884 623 L CB -0.809 41.255 42.059 0.008 0.000 1.065 623 L HN 0.079 nan 8.230 nan 0.000 0.457 624 G N 0.308 109.100 108.800 -0.013 0.000 2.143 624 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.248 624 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.248 624 G C 0.036 174.907 174.900 -0.049 0.000 0.991 624 G CA -0.312 44.771 45.100 -0.028 0.000 0.689 624 G HN 0.091 nan 8.290 nan 0.000 0.522 625 L N 0.298 121.498 121.223 -0.038 0.000 2.350 625 L HA 0.458 4.798 4.340 -0.000 0.000 0.275 625 L C 0.751 177.585 176.870 -0.059 0.000 1.099 625 L CA 0.047 54.854 54.840 -0.055 0.000 0.808 625 L CB 1.189 43.232 42.059 -0.027 0.000 1.149 625 L HN 0.348 nan 8.230 nan 0.000 0.442 626 Q N 2.123 121.870 119.800 -0.089 0.000 2.347 626 Q HA 0.342 4.681 4.340 -0.000 0.000 0.262 626 Q C -1.075 174.888 176.000 -0.062 0.000 0.980 626 Q CA -0.495 55.276 55.803 -0.054 0.000 0.867 626 Q CB 1.693 30.406 28.738 -0.040 0.000 1.242 626 Q HN 0.555 nan 8.270 nan 0.000 0.453 627 C N 2.762 122.006 119.300 -0.093 0.000 2.265 627 C HA 0.412 4.871 4.460 -0.000 0.000 0.332 627 C C 0.550 175.339 174.990 -0.336 0.000 1.248 627 C CA -0.500 58.352 59.018 -0.276 0.000 1.727 627 C CB 0.028 27.574 27.740 -0.324 0.000 2.348 627 C HN 0.636 nan 8.230 nan 0.000 0.519 628 T N 3.852 118.188 114.554 -0.363 0.000 2.758 628 T HA 0.447 4.797 4.350 -0.000 0.000 0.285 628 T C -0.514 173.935 174.700 -0.418 0.000 0.981 628 T CA 0.005 61.953 62.100 -0.254 0.000 0.965 628 T CB 0.249 69.046 68.868 -0.119 0.000 0.927 628 T HN 0.389 nan 8.240 nan 0.000 0.448 629 F N 3.524 123.461 119.950 -0.022 0.000 2.391 629 F HA 0.488 5.015 4.527 -0.000 0.000 0.359 629 F C 0.478 176.260 175.800 -0.029 0.000 1.122 629 F CA -0.938 57.039 58.000 -0.037 0.000 1.120 629 F CB 0.505 39.456 39.000 -0.083 0.000 1.142 629 F HN 0.336 nan 8.300 nan 0.000 0.483 630 I N 3.292 123.940 120.570 0.130 0.000 2.354 630 I HA 0.181 4.350 4.170 -0.000 0.000 0.292 630 I C 0.044 176.304 176.117 0.239 0.000 0.989 630 I CA -0.946 60.431 61.300 0.129 0.000 1.188 630 I CB 1.168 39.187 38.000 0.033 0.000 1.342 630 I HN 0.458 nan 8.210 nan 0.000 0.457 631 N N 6.212 125.080 118.700 0.279 0.000 2.406 631 N HA -0.051 4.689 4.740 -0.000 0.000 0.274 631 N C 0.033 175.844 175.510 0.501 0.000 1.249 631 N CA 0.085 53.390 53.050 0.424 0.000 0.951 631 N CB 0.363 39.119 38.487 0.447 0.000 1.241 631 N HN 0.576 nan 8.380 nan 0.000 0.485 632 D N 2.843 123.544 120.400 0.502 0.000 2.501 632 D HA -0.030 4.610 4.640 -0.000 0.000 0.224 632 D C 1.037 177.573 176.300 0.393 0.000 1.202 632 D CA -0.442 53.841 54.000 0.472 0.000 0.829 632 D CB -0.759 40.285 40.800 0.406 0.000 1.023 632 D HN 0.376 nan 8.370 nan 0.000 0.499 633 F N 0.658 120.743 119.950 0.225 0.000 2.051 633 F HA 0.027 4.554 4.527 -0.000 0.000 0.296 633 F C 1.437 177.166 175.800 -0.119 0.000 1.122 633 F CA 1.537 59.534 58.000 -0.005 0.000 1.201 633 F CB -0.126 38.662 39.000 -0.353 0.000 0.978 633 F HN -0.108 nan 8.300 nan 0.000 0.472 634 F N -1.392 118.759 119.950 0.335 0.000 2.512 634 F HA -0.014 4.513 4.527 -0.000 0.000 0.296 634 F C 2.556 178.353 175.800 -0.005 0.000 1.110 634 F CA 1.054 59.142 58.000 0.146 0.000 1.446 634 F CB -0.637 38.442 39.000 0.132 0.000 1.092 634 F HN 0.003 nan 8.300 nan 0.000 0.554 635 T N -1.721 112.921 114.554 0.146 0.000 2.976 635 T HA -0.058 4.292 4.350 -0.000 0.000 0.257 635 T C 1.314 175.801 174.700 -0.356 0.000 1.051 635 T CA 1.474 63.509 62.100 -0.107 0.000 1.141 635 T CB -0.003 68.826 68.868 -0.065 0.000 0.881 635 T HN 0.223 nan 8.240 nan 0.000 0.461 636 Y N -1.281 119.009 120.300 -0.015 0.000 2.769 636 Y HA 0.308 4.858 4.550 -0.000 0.000 0.266 636 Y C 2.235 178.235 175.900 0.167 0.000 1.091 636 Y CA 0.187 58.321 58.100 0.057 0.000 1.272 636 Y CB -0.687 37.749 38.460 -0.040 0.000 1.469 636 Y HN 0.232 nan 8.280 nan 0.000 0.475 637 H N 0.717 119.846 119.070 0.097 0.000 2.289 637 H HA -0.183 4.373 4.556 -0.000 0.000 0.296 637 H C 1.794 176.957 175.328 -0.275 0.000 1.091 637 H CA 2.357 58.332 56.048 -0.121 0.000 1.274 637 H CB -0.426 29.114 29.762 -0.369 0.000 1.364 637 H HN 0.200 nan 8.280 nan 0.000 0.490 638 I N 0.299 120.586 120.570 -0.471 0.000 2.567 638 I HA -0.132 4.038 4.170 -0.000 0.000 0.257 638 I C 1.344 177.244 176.117 -0.361 0.000 1.184 638 I CA 1.174 62.184 61.300 -0.483 0.000 1.451 638 I CB -0.250 37.606 38.000 -0.240 0.000 1.089 638 I HN 0.153 nan 8.210 nan 0.000 0.441 639 R N -1.099 119.327 120.500 -0.122 0.000 2.515 639 R HA 0.247 4.587 4.340 -0.000 0.000 0.294 639 R C -0.337 176.072 176.300 0.181 0.000 1.021 639 R CA -0.020 56.154 56.100 0.123 0.000 1.081 639 R CB -0.530 29.990 30.300 0.367 0.000 1.263 639 R HN 0.345 nan 8.270 nan 0.000 0.557 640 H N -3.235 115.809 119.070 -0.043 0.000 3.025 640 H HA -0.107 4.448 4.556 -0.000 0.000 0.255 640 H C 0.282 175.462 175.328 -0.247 0.000 1.246 640 H CA 0.681 56.623 56.048 -0.178 0.000 1.107 640 H CB -1.402 28.223 29.762 -0.228 0.000 1.259 640 H HN 0.491 nan 8.280 nan 0.000 0.351 641 G N -1.471 107.368 108.800 0.065 0.000 2.608 641 G HA2 0.581 4.541 3.960 -0.000 0.000 0.291 641 G HA3 0.581 4.541 3.960 -0.000 0.000 0.291 641 G C -0.964 174.225 174.900 0.481 0.000 1.425 641 G CA -0.678 44.529 45.100 0.178 0.000 0.787 641 G HN 0.049 nan 8.290 nan 0.000 0.484 642 E N -1.268 119.192 120.200 0.434 0.000 2.580 642 E HA 0.411 4.761 4.350 -0.000 0.000 0.178 642 E C 1.764 178.516 176.600 0.253 0.000 0.738 642 E CA -0.517 56.091 56.400 0.347 0.000 0.967 642 E CB 0.101 29.968 29.700 0.278 0.000 1.942 642 E HN 0.152 nan 8.360 nan 0.000 0.376 643 V N 1.241 121.299 119.914 0.239 0.000 2.295 643 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 643 V C 2.413 178.638 176.094 0.218 0.000 1.049 643 V CA 2.123 64.561 62.300 0.230 0.000 1.024 643 V CB -0.782 31.143 31.823 0.171 0.000 0.648 643 V HN 0.554 nan 8.190 nan 0.000 0.447 644 H N 0.507 119.665 119.070 0.147 0.000 2.319 644 H HA -0.185 4.371 4.556 -0.000 0.000 0.299 644 H C 2.283 177.730 175.328 0.199 0.000 1.092 644 H CA 1.940 58.077 56.048 0.148 0.000 1.302 644 H CB 0.061 29.902 29.762 0.132 0.000 1.373 644 H HN 0.402 nan 8.280 nan 0.000 0.497 645 A N 0.271 123.285 122.820 0.324 0.000 1.978 645 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 645 A C 2.540 180.399 177.584 0.458 0.000 1.170 645 A CA 1.532 53.804 52.037 0.392 0.000 0.636 645 A CB -0.943 18.343 19.000 0.475 0.000 0.810 645 A HN 0.554 nan 8.150 nan 0.000 0.448 646 G N -1.276 107.700 108.800 0.292 0.000 2.985 646 G HA2 0.352 4.311 3.960 -0.000 0.000 0.209 646 G HA3 0.352 4.311 3.960 -0.000 0.000 0.209 646 G C 0.588 175.553 174.900 0.108 0.000 1.165 646 G CA 1.081 46.251 45.100 0.116 0.000 0.776 646 G HN 0.802 nan 8.290 nan 0.000 0.541 647 T N -3.335 111.273 114.554 0.090 0.000 2.812 647 T HA 0.634 4.984 4.350 -0.000 0.000 0.294 647 T C -1.294 173.426 174.700 0.034 0.000 1.159 647 T CA -1.017 61.125 62.100 0.070 0.000 1.008 647 T CB 2.957 71.858 68.868 0.055 0.000 1.289 647 T HN -0.062 nan 8.240 nan 0.000 0.514 648 N N -1.066 117.707 118.700 0.122 0.000 2.732 648 N HA 0.723 5.463 4.740 -0.000 0.000 0.259 648 N C -1.961 173.732 175.510 0.304 0.000 1.402 648 N CA -0.484 52.652 53.050 0.144 0.000 0.829 648 N CB 2.497 41.043 38.487 0.099 0.000 1.495 648 N HN 0.697 nan 8.380 nan 0.000 0.511 649 V N 1.145 121.231 119.914 0.287 0.000 2.777 649 V HA 0.474 4.593 4.120 -0.000 0.000 0.306 649 V C -0.181 176.107 176.094 0.325 0.000 1.112 649 V CA -0.876 61.608 62.300 0.308 0.000 0.917 649 V CB 2.126 34.054 31.823 0.174 0.000 1.018 649 V HN 0.532 nan 8.190 nan 0.000 0.426 650 R N 3.603 124.338 120.500 0.391 0.000 2.254 650 R HA 0.611 4.951 4.340 -0.000 0.000 0.318 650 R C -0.613 175.771 176.300 0.139 0.000 1.031 650 R CA -0.334 55.947 56.100 0.301 0.000 0.905 650 R CB 1.037 31.571 30.300 0.391 0.000 1.050 650 R HN 0.760 nan 8.270 nan 0.000 0.456 651 R N 2.226 122.768 120.500 0.069 0.000 2.892 651 R HA 0.306 4.645 4.340 -0.000 0.000 0.265 651 R C -0.567 175.675 176.300 -0.096 0.000 1.025 651 R CA -1.003 55.087 56.100 -0.017 0.000 0.982 651 R CB 1.786 32.059 30.300 -0.044 0.000 1.185 651 R HN 0.407 nan 8.270 nan 0.000 0.484 652 K N 2.208 122.521 120.400 -0.145 0.000 2.451 652 K HA 0.111 4.431 4.320 -0.000 0.000 0.280 652 K C -2.216 174.166 176.600 -0.364 0.000 1.020 652 K CA -1.230 54.931 56.287 -0.211 0.000 1.008 652 K CB 0.468 32.866 32.500 -0.170 0.000 0.917 652 K HN 0.160 nan 8.250 nan 0.000 0.478 653 P HA -0.037 nan 4.420 nan 0.000 0.269 653 P C -0.678 176.327 177.300 -0.491 0.000 1.215 653 P CA 0.057 62.625 63.100 -0.887 0.000 0.780 653 P CB 0.300 31.231 31.700 -1.282 0.000 0.898 654 F N 0.473 120.287 119.950 -0.227 0.000 2.602 654 F HA -0.050 4.478 4.527 0.001 0.000 0.367 654 F C 2.096 177.875 175.800 -0.034 0.000 1.126 654 F CA 0.835 58.819 58.000 -0.027 0.000 1.321 654 F CB -0.074 38.996 39.000 0.116 0.000 1.094 654 F HN 0.308 nan 8.300 nan 0.000 0.594 655 S N 2.208 118.024 115.700 0.194 0.000 2.406 655 S HA -0.112 4.357 4.470 -0.000 0.000 0.228 655 S C 0.503 175.161 174.600 0.096 0.000 1.020 655 S CA 0.058 58.316 58.200 0.096 0.000 0.965 655 S CB -0.275 62.967 63.200 0.071 0.000 0.798 655 S HN 0.451 nan 8.310 nan 0.000 0.488 656 F N 3.622 123.592 119.950 0.033 0.000 2.608 656 F HA 0.078 4.603 4.527 -0.002 0.000 0.380 656 F C 0.324 176.036 175.800 -0.148 0.000 1.083 656 F CA -0.144 57.815 58.000 -0.068 0.000 1.266 656 F CB 0.473 39.424 39.000 -0.081 0.000 1.076 656 F HN -0.187 nan 8.300 nan 0.000 0.574 657 K N 8.434 128.410 120.400 -0.707 0.000 2.258 657 K HA -0.031 4.288 4.320 -0.000 0.000 0.284 657 K C 1.026 177.085 176.600 -0.902 0.000 1.051 657 K CA -0.377 55.287 56.287 -1.038 0.000 0.923 657 K CB 0.603 32.079 32.500 -1.707 0.000 1.046 657 K HN 0.888 nan 8.250 nan 0.000 0.474 658 W N 3.330 124.382 121.300 -0.414 0.000 2.374 658 W HA -0.198 4.462 4.660 -0.000 0.000 0.288 658 W C 0.958 177.628 176.519 0.251 0.000 1.218 658 W CA 0.626 58.011 57.345 0.068 0.000 1.245 658 W CB -0.853 28.702 29.460 0.157 0.000 1.126 658 W HN 0.737 nan 8.180 nan 0.000 0.545 659 W N 2.002 122.968 121.300 -0.557 0.000 2.699 659 W HA 0.110 4.769 4.660 -0.002 0.000 0.249 659 W C 1.222 177.740 176.519 -0.002 0.000 1.280 659 W CA 0.811 57.864 57.345 -0.487 0.000 1.345 659 W CB -1.745 27.111 29.460 -1.007 0.000 1.128 659 W HN -0.276 nan 8.180 nan 0.000 0.642 660 N N 0.679 119.245 118.700 -0.224 0.000 2.467 660 N HA 0.027 4.767 4.740 -0.000 0.000 0.184 660 N C 0.442 176.102 175.510 0.250 0.000 1.106 660 N CA 0.384 53.383 53.050 -0.085 0.000 0.892 660 N CB -0.249 37.903 38.487 -0.558 0.000 0.969 660 N HN 0.291 nan 8.380 nan 0.000 0.454 661 M N 0.416 120.304 119.600 0.480 0.000 2.202 661 M HA 0.141 4.621 4.480 -0.000 0.000 0.316 661 M C -0.563 175.918 176.300 0.300 0.000 1.138 661 M CA -0.084 55.454 55.300 0.397 0.000 1.151 661 M CB 1.045 33.840 32.600 0.325 0.000 1.422 661 M HN -0.318 nan 8.290 nan 0.000 0.471 662 V N 4.542 124.487 119.914 0.052 0.000 2.315 662 V HA 0.314 4.433 4.120 -0.000 0.000 0.265 662 V C -2.085 173.838 176.094 -0.285 0.000 1.019 662 V CA -1.301 60.950 62.300 -0.083 0.000 0.824 662 V CB 0.164 31.986 31.823 -0.001 0.000 1.072 662 V HN 0.802 nan 8.190 nan 0.000 0.448 663 P HA 0.000 nan 4.420 nan 0.000 0.216 663 P CA 0.000 62.839 63.100 -0.435 0.000 0.800 663 P CB 0.000 31.342 31.700 -0.597 0.000 0.726