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 1crl_1_A DATA FIRST_RESID 1 DATA SEQUENCE APTATLANGD TITGLNAIIN EAFLGIPFAE PPVGNLRFKD PVPYSGSLDG DATA SEQUENCE QKFTSYGPSc MQQNPEGTYE ENLPKAALDL VMQSKVFEAV SPSSEDcLTI DATA SEQUENCE NVVRPPGTKA GANLPVMLWI FGGGFEVGGT STFPPAQMIT KSIAMGKPII DATA SEQUENCE HVSVNYRVSS WGFLAGDEIK AEGSANAGLK DQRLGMQWVA DNIAAFGGDP DATA SEQUENCE TKVTIFGESA GSMSVMCHIL WNDGDNTYKG KPLFRAGIMQ SGAMVPSDAV DATA SEQUENCE DGIYGNEIFD LLASNAGcGS ASDKLAcLRG VSSDTLEDAT NNTPGFLAYS DATA SEQUENCE SLRLSYLPRP DGVNITDDMY ALVREGKYAN IPVIIGDQND EGTFFGTSSL DATA SEQUENCE NVTTDAQARE YFKQSFVHAS DAEIDTLMTA YPGDITQGSP FDTGILNALT DATA SEQUENCE PQFKRISAVL GDLGFTLARR YFLNHYTGGT KYSFLSKQLS GLPVLGTFHS DATA SEQUENCE NDIVFQDYLL GSGSLIYNNA FIAFATDLDP NTAGLLVKWP EYTSSSQSGN DATA SEQUENCE NLMMINALGL YTGKDNFRTA GYDALFSNPP SFFV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.592 177.584 0.014 0.000 1.274 1 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 1 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 2 P HA 0.372 nan 4.420 nan 0.000 0.262 2 P C -0.441 176.982 177.300 0.205 0.000 1.182 2 P CA 1.315 64.442 63.100 0.047 0.000 0.761 2 P CB 0.751 32.330 31.700 -0.201 0.000 0.795 3 T N 1.310 116.082 114.554 0.363 0.000 2.896 3 T HA 0.788 5.139 4.350 0.001 0.000 0.297 3 T C -1.068 173.759 174.700 0.211 0.000 1.108 3 T CA -0.496 61.801 62.100 0.327 0.000 1.004 3 T CB 2.012 70.970 68.868 0.150 0.000 1.159 3 T HN 0.364 nan 8.240 nan 0.000 0.499 4 A N 1.222 124.045 122.820 0.006 0.000 2.517 4 A HA 0.694 5.015 4.320 0.001 0.000 0.297 4 A C -0.566 176.866 177.584 -0.254 0.000 1.050 4 A CA -0.771 51.042 52.037 -0.374 0.000 0.694 4 A CB 1.407 19.723 19.000 -1.140 0.000 1.277 4 A HN 0.636 nan 8.150 nan 0.000 0.400 5 T N 3.822 118.234 114.554 -0.237 0.000 2.781 5 T HA 0.470 4.820 4.350 0.001 0.000 0.305 5 T C 0.473 175.059 174.700 -0.189 0.000 1.001 5 T CA -0.116 61.897 62.100 -0.145 0.000 0.950 5 T CB -0.223 68.591 68.868 -0.091 0.000 0.955 5 T HN 0.474 nan 8.240 nan 0.000 0.471 6 L N 1.736 122.870 121.223 -0.149 0.000 2.468 6 L HA 0.267 4.607 4.340 0.001 0.000 0.253 6 L C 2.166 178.964 176.870 -0.120 0.000 1.237 6 L CA -0.643 54.102 54.840 -0.157 0.000 0.823 6 L CB -0.033 41.993 42.059 -0.054 0.000 1.124 6 L HN 0.657 nan 8.230 nan 0.000 0.504 7 A N 1.368 124.104 122.820 -0.141 0.000 1.908 7 A HA -0.210 4.110 4.320 0.001 0.000 0.218 7 A C 1.671 179.224 177.584 -0.052 0.000 1.181 7 A CA 2.043 54.019 52.037 -0.103 0.000 0.627 7 A CB -0.866 18.064 19.000 -0.118 0.000 0.818 7 A HN 0.947 nan 8.150 nan 0.000 0.445 8 N N -0.772 117.914 118.700 -0.023 0.000 2.515 8 N HA 0.217 4.957 4.740 0.001 0.000 0.191 8 N C 0.956 176.472 175.510 0.010 0.000 1.182 8 N CA 1.217 54.271 53.050 0.007 0.000 0.879 8 N CB -0.501 38.010 38.487 0.040 0.000 0.984 8 N HN 0.917 nan 8.380 nan 0.000 0.453 9 G N -0.515 108.282 108.800 -0.006 0.000 2.157 9 G HA2 -0.241 3.719 3.960 0.001 0.000 0.248 9 G HA3 -0.241 3.719 3.960 0.001 0.000 0.248 9 G C -0.831 174.081 174.900 0.020 0.000 0.979 9 G CA 0.100 45.199 45.100 -0.002 0.000 0.650 9 G HN 0.461 nan 8.290 nan 0.000 0.529 10 D N 1.207 121.632 120.400 0.043 0.000 2.350 10 D HA 0.504 5.144 4.640 0.001 0.000 0.249 10 D C 0.431 176.772 176.300 0.068 0.000 1.119 10 D CA 0.619 54.667 54.000 0.080 0.000 0.886 10 D CB 1.145 42.029 40.800 0.139 0.000 1.195 10 D HN 0.092 nan 8.370 nan 0.000 0.437 11 T N 2.557 117.159 114.554 0.081 0.000 2.758 11 T HA 0.547 4.897 4.350 0.001 0.000 0.285 11 T C 0.505 175.296 174.700 0.151 0.000 0.981 11 T CA -0.667 61.479 62.100 0.077 0.000 0.965 11 T CB 0.322 69.223 68.868 0.055 0.000 0.927 11 T HN 0.288 nan 8.240 nan 0.000 0.448 12 I N -0.177 120.518 120.570 0.209 0.000 2.797 12 I HA 0.807 4.977 4.170 0.001 0.000 0.307 12 I C -0.498 175.855 176.117 0.395 0.000 1.033 12 I CA -0.801 60.720 61.300 0.367 0.000 1.071 12 I CB 2.270 40.630 38.000 0.600 0.000 1.255 12 I HN 0.289 nan 8.210 nan 0.000 0.445 13 T N 2.889 117.664 114.554 0.369 0.000 2.807 13 T HA 0.650 5.000 4.350 0.001 0.000 0.279 13 T C 0.157 174.969 174.700 0.187 0.000 0.993 13 T CA -0.449 61.801 62.100 0.250 0.000 0.970 13 T CB 1.524 70.450 68.868 0.096 0.000 0.950 13 T HN 0.972 nan 8.240 nan 0.000 0.441 14 G N 1.446 110.137 108.800 -0.182 0.000 2.795 14 G HA2 0.699 4.660 3.960 0.001 0.000 0.267 14 G HA3 0.699 4.660 3.960 0.001 0.000 0.267 14 G C -1.261 173.411 174.900 -0.379 0.000 1.362 14 G CA -0.621 44.100 45.100 -0.632 0.000 1.048 14 G HN 0.640 nan 8.290 nan 0.000 0.547 15 L N -0.040 120.962 121.223 -0.369 0.000 2.334 15 L HA 0.563 4.904 4.340 0.001 0.000 0.276 15 L C -0.551 176.209 176.870 -0.184 0.000 1.014 15 L CA -0.962 53.756 54.840 -0.204 0.000 0.815 15 L CB 1.870 43.842 42.059 -0.144 0.000 1.268 15 L HN 0.451 nan 8.230 nan 0.000 0.428 16 N N 3.847 122.480 118.700 -0.111 0.000 2.485 16 N HA 0.376 5.116 4.740 0.001 0.000 0.243 16 N C -0.385 175.094 175.510 -0.052 0.000 0.987 16 N CA 0.019 53.026 53.050 -0.072 0.000 0.940 16 N CB 1.589 40.048 38.487 -0.046 0.000 1.122 16 N HN 0.743 nan 8.380 nan 0.000 0.509 17 A N 5.063 127.856 122.820 -0.045 0.000 2.640 17 A HA 0.231 4.552 4.320 0.001 0.000 0.282 17 A C 1.627 179.200 177.584 -0.019 0.000 1.357 17 A CA -0.424 51.594 52.037 -0.032 0.000 0.946 17 A CB -0.921 18.061 19.000 -0.031 0.000 1.065 17 A HN 0.886 nan 8.150 nan 0.000 0.541 18 I N -1.150 119.411 120.570 -0.015 0.000 4.412 18 I HA -0.446 3.724 4.170 0.001 0.000 0.072 18 I C 1.673 177.789 176.117 -0.002 0.000 0.595 18 I CA 2.740 64.036 61.300 -0.007 0.000 0.980 18 I CB -0.653 37.342 38.000 -0.007 0.000 0.880 18 I HN 0.606 nan 8.210 nan 0.000 0.175 19 I N 0.303 120.871 120.570 -0.003 0.000 3.291 19 I HA 0.091 4.261 4.170 0.001 0.000 0.279 19 I C 0.637 176.758 176.117 0.007 0.000 1.294 19 I CA 1.058 62.359 61.300 0.001 0.000 1.428 19 I CB -0.477 37.520 38.000 -0.004 0.000 1.070 19 I HN 0.563 nan 8.210 nan 0.000 0.478 20 N N 0.270 118.974 118.700 0.007 0.000 3.227 20 N HA 0.302 5.042 4.740 0.001 0.000 0.241 20 N C -1.558 173.961 175.510 0.015 0.000 1.480 20 N CA -0.851 52.211 53.050 0.021 0.000 0.886 20 N CB 1.354 39.852 38.487 0.018 0.000 1.406 20 N HN 0.081 nan 8.380 nan 0.000 0.514 21 E N 0.080 120.305 120.200 0.041 0.000 2.176 21 E HA 0.609 4.960 4.350 0.001 0.000 0.267 21 E C -1.080 175.531 176.600 0.018 0.000 0.893 21 E CA -0.824 55.581 56.400 0.008 0.000 0.761 21 E CB 2.053 31.799 29.700 0.076 0.000 1.133 21 E HN 0.627 nan 8.360 nan 0.000 0.409 22 A N 3.155 125.907 122.820 -0.113 0.000 2.337 22 A HA 0.723 5.043 4.320 0.001 0.000 0.329 22 A C -1.254 176.203 177.584 -0.211 0.000 1.146 22 A CA -0.569 51.428 52.037 -0.067 0.000 0.800 22 A CB 0.495 19.437 19.000 -0.096 0.000 1.220 22 A HN 0.534 nan 8.150 nan 0.000 0.472 23 F N 1.982 121.943 119.950 0.018 0.000 2.513 23 F HA 0.489 5.016 4.527 0.000 0.000 0.358 23 F C -0.326 175.433 175.800 -0.069 0.000 1.118 23 F CA -0.231 57.811 58.000 0.070 0.000 1.037 23 F CB 1.403 40.506 39.000 0.173 0.000 1.276 23 F HN 0.340 nan 8.300 nan 0.000 0.446 24 L N 1.865 123.107 121.223 0.032 0.000 2.334 24 L HA 0.764 5.104 4.340 0.001 0.000 0.273 24 L C 0.921 177.778 176.870 -0.023 0.000 1.013 24 L CA -1.065 53.675 54.840 -0.167 0.000 0.816 24 L CB 1.857 43.633 42.059 -0.472 0.000 1.278 24 L HN 0.787 nan 8.230 nan 0.000 0.431 25 G N 2.449 111.209 108.800 -0.066 0.000 2.176 25 G HA2 -0.260 3.700 3.960 0.001 0.000 0.252 25 G HA3 -0.260 3.700 3.960 0.001 0.000 0.252 25 G C 0.004 174.868 174.900 -0.059 0.000 1.024 25 G CA -0.298 44.815 45.100 0.022 0.000 0.755 25 G HN 0.479 nan 8.290 nan 0.000 0.507 26 I N 1.551 121.918 120.570 -0.338 0.000 2.505 26 I HA 0.184 4.355 4.170 0.001 0.000 0.287 26 I C -1.749 174.114 176.117 -0.424 0.000 1.104 26 I CA -1.845 59.058 61.300 -0.661 0.000 1.387 26 I CB 0.810 38.379 38.000 -0.718 0.000 1.404 26 I HN -0.091 nan 8.210 nan 0.000 0.528 27 P HA -0.005 nan 4.420 nan 0.000 0.271 27 P C -0.063 176.965 177.300 -0.454 0.000 1.226 27 P CA 0.088 62.894 63.100 -0.489 0.000 0.765 27 P CB 0.239 31.465 31.700 -0.790 0.000 0.835 28 F N 1.867 121.578 119.950 -0.399 0.000 2.706 28 F HA 0.726 5.253 4.527 0.001 0.000 0.308 28 F C 0.203 176.004 175.800 0.001 0.000 1.095 28 F CA -0.682 57.154 58.000 -0.274 0.000 1.244 28 F CB 0.108 38.815 39.000 -0.490 0.000 1.063 28 F HN 0.220 nan 8.300 nan 0.000 0.582 29 A N 0.163 122.741 122.820 -0.402 0.000 2.556 29 A HA 0.589 4.909 4.320 0.001 0.000 0.294 29 A C -0.776 176.805 177.584 -0.006 0.000 1.091 29 A CA -0.779 51.142 52.037 -0.193 0.000 0.704 29 A CB 1.007 19.742 19.000 -0.442 0.000 1.300 29 A HN 0.057 nan 8.150 nan 0.000 0.406 30 E N 1.231 121.493 120.200 0.103 0.000 2.413 30 E HA 0.209 4.559 4.350 0.001 0.000 0.263 30 E C -2.291 174.313 176.600 0.007 0.000 1.015 30 E CA -1.299 55.167 56.400 0.110 0.000 0.916 30 E CB -0.090 29.646 29.700 0.060 0.000 0.947 30 E HN 0.254 nan 8.360 nan 0.000 0.440 31 P HA -0.008 nan 4.420 nan 0.000 0.260 31 P C -2.178 175.102 177.300 -0.033 0.000 1.185 31 P CA -0.648 62.434 63.100 -0.029 0.000 0.763 31 P CB -0.053 31.643 31.700 -0.007 0.000 0.776 32 P HA 0.013 nan 4.420 nan 0.000 0.220 32 P C -0.230 177.036 177.300 -0.056 0.000 1.778 32 P CA 0.047 63.119 63.100 -0.047 0.000 0.912 32 P CB -0.082 31.591 31.700 -0.046 0.000 1.861 33 V N -3.167 116.721 119.914 -0.043 0.000 3.093 33 V HA 0.885 5.005 4.120 0.001 0.000 0.320 33 V C 1.021 177.092 176.094 -0.039 0.000 1.093 33 V CA 0.128 62.403 62.300 -0.041 0.000 1.016 33 V CB 0.682 32.490 31.823 -0.025 0.000 1.096 33 V HN 0.513 nan 8.190 nan 0.000 0.452 34 G N 1.968 110.747 108.800 -0.035 0.000 2.622 34 G HA2 -0.359 3.601 3.960 0.001 0.000 0.307 34 G HA3 -0.359 3.601 3.960 0.001 0.000 0.307 34 G C 0.620 175.501 174.900 -0.032 0.000 1.226 34 G CA 0.855 45.941 45.100 -0.022 0.000 0.997 34 G HN 1.033 nan 8.290 nan 0.000 0.551 35 N N 0.773 119.468 118.700 -0.008 0.000 2.512 35 N HA 0.048 4.789 4.740 0.001 0.000 0.183 35 N C 2.111 177.620 175.510 -0.002 0.000 1.073 35 N CA 0.783 53.836 53.050 0.005 0.000 0.911 35 N CB -0.100 38.399 38.487 0.020 0.000 0.964 35 N HN 0.485 nan 8.380 nan 0.000 0.447 36 L N 0.281 121.492 121.223 -0.020 0.000 2.599 36 L HA 0.087 4.427 4.340 0.001 0.000 0.230 36 L C 0.784 177.620 176.870 -0.057 0.000 1.141 36 L CA 0.046 54.875 54.840 -0.018 0.000 0.877 36 L CB 0.022 42.073 42.059 -0.013 0.000 1.009 36 L HN -0.045 nan 8.230 nan 0.000 0.447 37 R N 0.183 120.596 120.500 -0.144 0.000 2.640 37 R HA -0.063 4.277 4.340 0.001 0.000 0.270 37 R C 0.377 176.494 176.300 -0.306 0.000 1.024 37 R CA 0.199 56.071 56.100 -0.379 0.000 1.085 37 R CB 0.178 30.040 30.300 -0.731 0.000 0.963 37 R HN 0.046 nan 8.270 nan 0.000 0.426 38 F N -1.375 118.614 119.950 0.065 0.000 2.890 38 F HA -0.331 4.197 4.527 0.000 0.000 0.346 38 F C 0.445 176.265 175.800 0.033 0.000 0.660 38 F CA 0.992 59.018 58.000 0.044 0.000 1.091 38 F CB -1.224 37.803 39.000 0.047 0.000 1.535 38 F HN 0.450 nan 8.300 nan 0.000 0.314 39 K N 1.637 122.116 120.400 0.131 0.000 2.087 39 K HA 0.315 4.635 4.320 0.001 0.000 0.255 39 K C 0.164 176.809 176.600 0.076 0.000 0.988 39 K CA -0.731 55.614 56.287 0.098 0.000 0.915 39 K CB 0.455 32.995 32.500 0.068 0.000 1.043 39 K HN -0.093 nan 8.250 nan 0.000 0.457 40 D N 3.083 123.531 120.400 0.079 0.000 2.548 40 D HA -0.024 4.616 4.640 0.001 0.000 0.231 40 D C -1.996 174.344 176.300 0.066 0.000 1.142 40 D CA -0.168 53.881 54.000 0.083 0.000 0.866 40 D CB 0.014 40.869 40.800 0.091 0.000 1.190 40 D HN 0.220 nan 8.370 nan 0.000 0.469 41 P HA 0.060 nan 4.420 nan 0.000 0.272 41 P C -0.770 176.564 177.300 0.057 0.000 1.223 41 P CA -0.364 62.760 63.100 0.040 0.000 0.784 41 P CB 0.780 32.504 31.700 0.039 0.000 0.923 42 V N 4.256 124.195 119.914 0.041 0.000 2.459 42 V HA 0.280 4.400 4.120 0.001 0.000 0.295 42 V C -2.095 174.049 176.094 0.083 0.000 1.029 42 V CA -2.204 60.132 62.300 0.060 0.000 0.874 42 V CB 1.270 33.119 31.823 0.043 0.000 0.985 42 V HN 0.530 nan 8.190 nan 0.000 0.438 43 P HA -0.075 nan 4.420 nan 0.000 0.264 43 P C -0.895 176.517 177.300 0.187 0.000 1.179 43 P CA 0.136 63.340 63.100 0.174 0.000 0.763 43 P CB 0.145 31.945 31.700 0.168 0.000 0.806 44 Y N 2.704 123.060 120.300 0.094 0.000 2.531 44 Y HA 0.156 4.707 4.550 0.001 0.000 0.347 44 Y C -0.026 175.933 175.900 0.098 0.000 1.024 44 Y CA 0.482 58.627 58.100 0.076 0.000 1.306 44 Y CB 0.049 38.563 38.460 0.090 0.000 1.149 44 Y HN 0.187 nan 8.280 nan 0.000 0.527 45 S N 5.050 120.566 115.700 -0.306 0.000 2.475 45 S HA 0.707 5.177 4.470 0.001 0.000 0.249 45 S C 0.095 174.414 174.600 -0.467 0.000 1.298 45 S CA -0.165 57.887 58.200 -0.247 0.000 1.125 45 S CB 0.312 63.448 63.200 -0.107 0.000 1.054 45 S HN 1.047 nan 8.310 nan 0.000 0.484 46 G N 0.790 109.273 108.800 -0.530 0.000 2.550 46 G HA2 0.589 4.550 3.960 0.001 0.000 0.293 46 G HA3 0.589 4.550 3.960 0.001 0.000 0.293 46 G C -1.525 173.354 174.900 -0.035 0.000 1.402 46 G CA -0.511 44.359 45.100 -0.384 0.000 0.784 46 G HN 0.370 nan 8.290 nan 0.000 0.482 47 S N -1.227 114.526 115.700 0.088 0.000 2.537 47 S HA 0.653 5.124 4.470 0.001 0.000 0.301 47 S C 0.513 175.273 174.600 0.267 0.000 1.092 47 S CA -0.738 57.563 58.200 0.169 0.000 1.048 47 S CB 1.073 64.337 63.200 0.106 0.000 1.053 47 S HN 0.453 nan 8.310 nan 0.000 0.501 48 L N 1.897 123.296 121.223 0.294 0.000 2.858 48 L HA 0.328 4.669 4.340 0.001 0.000 0.251 48 L C 0.023 177.057 176.870 0.274 0.000 1.149 48 L CA -0.205 54.850 54.840 0.359 0.000 0.955 48 L CB 0.195 42.531 42.059 0.461 0.000 1.289 48 L HN 0.544 nan 8.230 nan 0.000 0.542 49 D N 1.215 121.727 120.400 0.187 0.000 2.450 49 D HA 0.242 4.882 4.640 0.001 0.000 0.247 49 D C 1.353 177.715 176.300 0.104 0.000 1.162 49 D CA 1.565 55.646 54.000 0.134 0.000 0.879 49 D CB 0.970 41.827 40.800 0.095 0.000 1.163 49 D HN 0.314 nan 8.370 nan 0.000 0.472 50 G N 2.915 111.774 108.800 0.098 0.000 2.148 50 G HA2 -0.293 3.667 3.960 0.001 0.000 0.254 50 G HA3 -0.293 3.667 3.960 0.001 0.000 0.254 50 G C 0.316 175.232 174.900 0.028 0.000 0.981 50 G CA 0.413 45.549 45.100 0.060 0.000 0.670 50 G HN 0.595 nan 8.290 nan 0.000 0.528 51 Q N -0.277 119.540 119.800 0.030 0.000 2.205 51 Q HA 0.604 4.944 4.340 0.001 0.000 0.249 51 Q C 0.112 175.948 176.000 -0.274 0.000 0.948 51 Q CA -0.411 55.296 55.803 -0.161 0.000 0.895 51 Q CB 1.120 29.713 28.738 -0.242 0.000 1.249 51 Q HN 0.344 nan 8.270 nan 0.000 0.458 52 K N 1.104 121.245 120.400 -0.432 0.000 2.138 52 K HA 0.460 4.781 4.320 0.001 0.000 0.263 52 K C -1.169 175.048 176.600 -0.639 0.000 0.965 52 K CA -0.378 55.715 56.287 -0.324 0.000 0.868 52 K CB 1.059 33.456 32.500 -0.172 0.000 1.083 52 K HN 0.363 nan 8.250 nan 0.000 0.443 53 F N 1.293 121.277 119.950 0.056 0.000 2.691 53 F HA 0.147 4.675 4.527 0.000 0.000 0.371 53 F C 0.684 176.458 175.800 -0.043 0.000 1.159 53 F CA -0.720 57.303 58.000 0.038 0.000 1.174 53 F CB 1.411 40.494 39.000 0.138 0.000 1.419 53 F HN 0.569 nan 8.300 nan 0.000 0.514 54 T N -3.048 111.524 114.554 0.030 0.000 3.084 54 T HA 0.363 4.714 4.350 0.001 0.000 0.270 54 T C 0.259 174.926 174.700 -0.055 0.000 1.008 54 T CA -0.006 62.069 62.100 -0.042 0.000 0.900 54 T CB 0.010 68.843 68.868 -0.060 0.000 1.084 54 T HN 0.279 nan 8.240 nan 0.000 0.538 55 S N -0.187 115.487 115.700 -0.042 0.000 2.607 55 S HA 0.659 5.129 4.470 0.001 0.000 0.273 55 S C -1.452 173.110 174.600 -0.064 0.000 1.148 55 S CA -1.114 57.058 58.200 -0.046 0.000 0.833 55 S CB 0.625 63.834 63.200 0.015 0.000 1.130 55 S HN 0.179 nan 8.310 nan 0.000 0.470 56 Y N 1.275 121.585 120.300 0.016 0.000 2.425 56 Y HA 0.495 5.046 4.550 0.001 0.000 0.331 56 Y C 1.511 177.414 175.900 0.004 0.000 1.157 56 Y CA 0.929 59.038 58.100 0.014 0.000 1.372 56 Y CB 0.428 38.883 38.460 -0.008 0.000 1.253 56 Y HN 1.037 nan 8.280 nan 0.000 0.536 57 G N 3.720 112.609 108.800 0.150 0.000 2.588 57 G HA2 0.330 4.290 3.960 0.001 0.000 0.278 57 G HA3 0.330 4.290 3.960 0.001 0.000 0.278 57 G C -2.476 172.456 174.900 0.054 0.000 1.307 57 G CA -1.321 43.827 45.100 0.080 0.000 1.016 57 G HN 0.441 nan 8.290 nan 0.000 0.503 58 P HA 0.142 nan 4.420 nan 0.000 0.269 58 P C 0.026 177.295 177.300 -0.051 0.000 1.215 58 P CA -0.191 62.885 63.100 -0.040 0.000 0.780 58 P CB 0.876 32.542 31.700 -0.057 0.000 0.898 59 S N 0.459 116.103 115.700 -0.093 0.000 2.608 59 S HA 0.144 4.615 4.470 0.001 0.000 0.261 59 S C 0.627 175.150 174.600 -0.129 0.000 1.314 59 S CA -0.539 57.591 58.200 -0.117 0.000 0.992 59 S CB 0.076 63.175 63.200 -0.169 0.000 0.935 59 S HN 0.524 nan 8.310 nan 0.000 0.564 60 c N 2.676 121.198 118.600 -0.131 0.000 2.649 60 c HA 0.245 4.816 4.570 0.001 0.000 0.377 60 c C 1.098 174.995 174.090 -0.322 0.000 1.321 60 c CA -0.797 55.411 56.329 -0.203 0.000 2.368 60 c CB -0.534 41.896 42.510 -0.134 0.000 2.597 60 c HN 0.675 nan 8.230 nan 0.000 0.678 61 M N 2.143 121.370 119.600 -0.621 0.000 2.252 61 M HA 0.102 4.582 4.480 0.001 0.000 0.329 61 M C 0.114 176.059 176.300 -0.592 0.000 1.101 61 M CA 1.118 55.916 55.300 -0.836 0.000 1.117 61 M CB -0.058 31.472 32.600 -1.784 0.000 1.563 61 M HN 0.622 nan 8.290 nan 0.000 0.445 62 Q N 1.713 121.352 119.800 -0.268 0.000 2.337 62 Q HA 0.377 4.717 4.340 0.001 0.000 0.266 62 Q C -0.702 175.415 176.000 0.196 0.000 1.023 62 Q CA -0.477 55.339 55.803 0.021 0.000 0.829 62 Q CB 2.409 31.182 28.738 0.058 0.000 1.306 62 Q HN 0.600 nan 8.270 nan 0.000 0.449 63 Q N 1.956 121.947 119.800 0.317 0.000 2.235 63 Q HA 0.134 4.474 4.340 0.001 0.000 0.250 63 Q C -0.190 175.925 176.000 0.191 0.000 0.909 63 Q CA -0.545 55.449 55.803 0.319 0.000 0.910 63 Q CB 0.917 29.873 28.738 0.363 0.000 1.223 63 Q HN 0.443 nan 8.270 nan 0.000 0.432 64 N N 4.856 123.629 118.700 0.122 0.000 2.434 64 N HA -0.009 4.731 4.740 0.001 0.000 0.268 64 N C -1.841 173.656 175.510 -0.022 0.000 1.256 64 N CA -1.167 51.898 53.050 0.026 0.000 0.914 64 N CB 0.989 39.482 38.487 0.010 0.000 1.088 64 N HN 0.496 nan 8.380 nan 0.000 0.478 65 P HA -0.093 nan 4.420 nan 0.000 0.225 65 P C 0.118 177.237 177.300 -0.301 0.000 1.148 65 P CA 1.088 63.933 63.100 -0.426 0.000 0.779 65 P CB 0.488 31.713 31.700 -0.792 0.000 0.780 66 E N -0.017 120.085 120.200 -0.163 0.000 2.419 66 E HA 0.177 4.527 4.350 0.001 0.000 0.190 66 E C 1.123 177.690 176.600 -0.056 0.000 1.040 66 E CA -0.153 56.186 56.400 -0.100 0.000 0.900 66 E CB -0.110 29.539 29.700 -0.085 0.000 1.054 66 E HN 0.165 nan 8.360 nan 0.000 0.462 67 G N 0.511 109.294 108.800 -0.027 0.000 2.491 67 G HA2 0.269 4.229 3.960 0.001 0.000 0.242 67 G HA3 0.269 4.229 3.960 0.001 0.000 0.242 67 G C -0.029 174.867 174.900 -0.007 0.000 1.266 67 G CA 0.363 45.468 45.100 0.009 0.000 0.844 67 G HN 0.064 nan 8.290 nan 0.000 0.571 68 T N -0.345 114.189 114.554 -0.034 0.000 2.722 68 T HA 0.274 4.624 4.350 0.001 0.000 0.314 68 T C 0.471 175.108 174.700 -0.104 0.000 1.675 68 T CA -0.251 61.765 62.100 -0.141 0.000 1.003 68 T CB 0.459 69.178 68.868 -0.248 0.000 1.602 68 T HN 0.758 nan 8.240 nan 0.000 0.496 69 Y N 0.336 120.657 120.300 0.037 0.000 2.561 69 Y HA 0.509 5.059 4.550 0.001 0.000 0.291 69 Y C 0.666 176.573 175.900 0.012 0.000 1.141 69 Y CA -0.319 57.794 58.100 0.022 0.000 1.303 69 Y CB -0.485 37.987 38.460 0.019 0.000 1.015 69 Y HN 0.462 nan 8.280 nan 0.000 0.547 70 E N 1.381 121.477 120.200 -0.173 0.000 2.349 70 E HA 0.160 4.510 4.350 0.001 0.000 0.262 70 E C -0.343 176.229 176.600 -0.046 0.000 1.088 70 E CA -0.626 55.735 56.400 -0.066 0.000 0.899 70 E CB 0.676 30.279 29.700 -0.162 0.000 1.044 70 E HN 0.158 nan 8.360 nan 0.000 0.420 71 E N 2.082 122.269 120.200 -0.021 0.000 2.191 71 E HA 0.313 4.663 4.350 0.001 0.000 0.274 71 E C -0.492 176.086 176.600 -0.037 0.000 0.948 71 E CA -0.473 55.913 56.400 -0.023 0.000 0.802 71 E CB 1.312 31.007 29.700 -0.008 0.000 1.137 71 E HN 0.607 nan 8.360 nan 0.000 0.397 72 N N 1.260 119.937 118.700 -0.039 0.000 3.046 72 N HA 0.079 4.820 4.740 0.001 0.000 0.243 72 N C 0.215 175.702 175.510 -0.039 0.000 1.452 72 N CA -0.602 52.422 53.050 -0.042 0.000 0.882 72 N CB 0.945 39.400 38.487 -0.053 0.000 1.425 72 N HN 0.211 nan 8.380 nan 0.000 0.517 73 L N 1.058 122.258 121.223 -0.039 0.000 2.017 73 L HA 0.124 4.464 4.340 0.001 0.000 0.208 73 L C -0.941 175.904 176.870 -0.042 0.000 1.073 73 L CA 1.840 56.657 54.840 -0.038 0.000 0.745 73 L CB -1.664 40.373 42.059 -0.036 0.000 0.894 73 L HN 0.563 nan 8.230 nan 0.000 0.432 74 P HA -0.229 nan 4.420 nan 0.000 0.216 74 P C 1.475 178.741 177.300 -0.056 0.000 1.150 74 P CA 1.644 64.715 63.100 -0.050 0.000 0.843 74 P CB -0.076 31.597 31.700 -0.045 0.000 0.787 75 K N -0.269 120.101 120.400 -0.051 0.000 2.001 75 K HA -0.113 4.208 4.320 0.001 0.000 0.208 75 K C 2.029 178.601 176.600 -0.048 0.000 1.048 75 K CA 1.532 57.789 56.287 -0.049 0.000 0.932 75 K CB -0.677 31.797 32.500 -0.043 0.000 0.715 75 K HN -0.050 nan 8.250 nan 0.000 0.437 76 A N 1.090 123.885 122.820 -0.042 0.000 1.940 76 A HA -0.151 4.170 4.320 0.001 0.000 0.219 76 A C 2.296 179.850 177.584 -0.050 0.000 1.176 76 A CA 2.090 54.104 52.037 -0.039 0.000 0.631 76 A CB -0.749 18.231 19.000 -0.033 0.000 0.814 76 A HN 0.525 nan 8.150 nan 0.000 0.446 77 A N -0.537 122.250 122.820 -0.055 0.000 1.897 77 A HA 0.075 4.395 4.320 0.001 0.000 0.215 77 A C 2.150 179.681 177.584 -0.088 0.000 1.181 77 A CA 1.305 53.304 52.037 -0.063 0.000 0.620 77 A CB -0.492 18.473 19.000 -0.058 0.000 0.821 77 A HN 0.444 nan 8.150 nan 0.000 0.443 78 L N -0.623 120.543 121.223 -0.096 0.000 2.141 78 L HA -0.144 4.196 4.340 0.001 0.000 0.209 78 L C 2.050 178.829 176.870 -0.153 0.000 1.094 78 L CA 1.264 56.024 54.840 -0.134 0.000 0.763 78 L CB -0.627 41.359 42.059 -0.121 0.000 0.908 78 L HN 0.368 nan 8.230 nan 0.000 0.437 79 D N 0.133 120.470 120.400 -0.104 0.000 2.117 79 D HA -0.192 4.448 4.640 0.001 0.000 0.197 79 D C 2.198 178.437 176.300 -0.101 0.000 0.987 79 D CA 0.859 54.804 54.000 -0.090 0.000 0.829 79 D CB 0.018 40.790 40.800 -0.047 0.000 0.961 79 D HN 0.117 nan 8.370 nan 0.000 0.460 80 L N 1.157 122.328 121.223 -0.087 0.000 1.990 80 L HA -0.186 4.154 4.340 0.001 0.000 0.213 80 L C 2.352 179.160 176.870 -0.103 0.000 1.072 80 L CA 1.511 56.306 54.840 -0.074 0.000 0.755 80 L CB -0.927 41.095 42.059 -0.062 0.000 0.889 80 L HN -0.068 nan 8.230 nan 0.000 0.432 81 V N 0.042 119.860 119.914 -0.160 0.000 2.270 81 V HA -0.332 3.789 4.120 0.001 0.000 0.245 81 V C 2.757 178.585 176.094 -0.443 0.000 1.043 81 V CA 2.128 64.284 62.300 -0.241 0.000 1.014 81 V CB -0.400 31.259 31.823 -0.273 0.000 0.645 81 V HN 0.410 nan 8.190 nan 0.000 0.447 82 M N -0.667 118.598 119.600 -0.557 0.000 2.279 82 M HA -0.153 4.327 4.480 0.001 0.000 0.264 82 M C 1.690 177.874 176.300 -0.194 0.000 1.062 82 M CA 1.358 56.242 55.300 -0.693 0.000 1.099 82 M CB -0.207 32.145 32.600 -0.415 0.000 1.394 82 M HN 0.318 nan 8.290 nan 0.000 0.426 83 Q N -0.008 119.735 119.800 -0.095 0.000 2.220 83 Q HA 0.160 4.500 4.340 0.001 0.000 0.205 83 Q C 0.439 176.458 176.000 0.032 0.000 0.865 83 Q CA 0.035 55.840 55.803 0.004 0.000 0.960 83 Q CB -0.003 28.733 28.738 -0.003 0.000 1.097 83 Q HN 0.435 nan 8.270 nan 0.000 0.493 84 S N -0.337 115.384 115.700 0.035 0.000 2.565 84 S HA 0.239 4.710 4.470 0.001 0.000 0.276 84 S C 0.925 175.585 174.600 0.101 0.000 1.326 84 S CA -0.490 57.745 58.200 0.057 0.000 1.045 84 S CB 1.347 64.578 63.200 0.052 0.000 0.918 84 S HN -0.157 nan 8.310 nan 0.000 0.505 85 K N 2.014 122.451 120.400 0.062 0.000 2.362 85 K HA 0.065 4.385 4.320 0.001 0.000 0.200 85 K C 1.636 178.266 176.600 0.049 0.000 1.046 85 K CA 0.866 57.183 56.287 0.050 0.000 0.952 85 K CB -0.621 31.896 32.500 0.027 0.000 0.753 85 K HN 0.552 nan 8.250 nan 0.000 0.466 86 V N -0.044 119.908 119.914 0.064 0.000 2.407 86 V HA -0.145 3.975 4.120 0.001 0.000 0.245 86 V C 1.789 177.919 176.094 0.060 0.000 1.041 86 V CA 1.282 63.611 62.300 0.048 0.000 1.040 86 V CB -0.473 31.380 31.823 0.050 0.000 0.671 86 V HN 0.190 nan 8.190 nan 0.000 0.455 87 F N 1.469 121.401 119.950 -0.029 0.000 2.113 87 F HA -0.135 4.393 4.527 0.000 0.000 0.297 87 F C 2.567 178.345 175.800 -0.037 0.000 1.103 87 F CA 1.748 59.727 58.000 -0.035 0.000 1.248 87 F CB -0.157 38.824 39.000 -0.033 0.000 0.999 87 F HN 0.132 nan 8.300 nan 0.000 0.475 88 E N 0.594 120.863 120.200 0.116 0.000 2.130 88 E HA -0.263 4.087 4.350 0.001 0.000 0.196 88 E C 2.379 178.930 176.600 -0.082 0.000 0.998 88 E CA 1.272 57.680 56.400 0.013 0.000 0.806 88 E CB -0.897 28.832 29.700 0.049 0.000 0.738 88 E HN 0.522 nan 8.360 nan 0.000 0.459 89 A N 1.092 123.872 122.820 -0.068 0.000 1.873 89 A HA -0.095 4.225 4.320 0.001 0.000 0.215 89 A C 2.581 180.089 177.584 -0.127 0.000 1.186 89 A CA 1.344 53.335 52.037 -0.077 0.000 0.616 89 A CB -0.518 18.454 19.000 -0.047 0.000 0.823 89 A HN 0.139 nan 8.150 nan 0.000 0.442 90 V N -1.117 118.686 119.914 -0.185 0.000 2.788 90 V HA 0.032 4.152 4.120 0.001 0.000 0.251 90 V C 1.221 177.123 176.094 -0.320 0.000 1.068 90 V CA 1.700 63.866 62.300 -0.223 0.000 1.090 90 V CB 0.262 31.957 31.823 -0.214 0.000 0.710 90 V HN 0.410 nan 8.190 nan 0.000 0.467 91 S N 0.979 116.392 115.700 -0.478 0.000 2.112 91 S HA 0.343 4.813 4.470 0.001 0.000 0.151 91 S C -2.609 171.780 174.600 -0.351 0.000 1.723 91 S CA -0.950 56.942 58.200 -0.514 0.000 1.263 91 S CB 0.699 63.337 63.200 -0.936 0.000 1.194 91 S HN 0.309 nan 8.310 nan 0.000 0.419 92 P HA 0.282 nan 4.420 nan 0.000 0.275 92 P C -0.622 176.609 177.300 -0.115 0.000 1.227 92 P CA -0.091 62.933 63.100 -0.126 0.000 0.781 92 P CB 1.205 32.852 31.700 -0.089 0.000 0.906 93 S N 0.948 116.592 115.700 -0.095 0.000 2.599 93 S HA 0.800 5.270 4.470 0.001 0.000 0.287 93 S C -0.649 173.879 174.600 -0.121 0.000 1.105 93 S CA -0.815 57.314 58.200 -0.117 0.000 0.899 93 S CB 1.832 64.958 63.200 -0.123 0.000 1.100 93 S HN 0.576 nan 8.310 nan 0.000 0.482 94 S N -0.741 114.864 115.700 -0.158 0.000 2.567 94 S HA 0.349 4.819 4.470 0.001 0.000 0.270 94 S C -0.077 174.399 174.600 -0.206 0.000 1.152 94 S CA -0.611 57.501 58.200 -0.146 0.000 0.835 94 S CB 1.464 64.609 63.200 -0.092 0.000 1.115 94 S HN 0.792 nan 8.310 nan 0.000 0.459 95 E N 0.630 120.715 120.200 -0.191 0.000 2.208 95 E HA -0.065 4.286 4.350 0.001 0.000 0.193 95 E C -0.339 176.187 176.600 -0.123 0.000 0.988 95 E CA 0.560 56.844 56.400 -0.193 0.000 0.828 95 E CB 0.077 29.710 29.700 -0.111 0.000 0.763 95 E HN 0.491 nan 8.360 nan 0.000 0.478 96 D N 0.310 120.654 120.400 -0.093 0.000 2.422 96 D HA 0.010 4.650 4.640 0.001 0.000 0.227 96 D C 0.056 176.305 176.300 -0.084 0.000 1.190 96 D CA -0.348 53.606 54.000 -0.077 0.000 0.905 96 D CB 0.178 40.949 40.800 -0.048 0.000 1.034 96 D HN 0.132 nan 8.370 nan 0.000 0.507 97 c N 2.631 121.172 118.600 -0.098 0.000 4.015 97 c HA 0.355 4.926 4.570 0.001 0.000 0.323 97 c C 0.585 174.636 174.090 -0.064 0.000 1.724 97 c CA -0.654 55.630 56.329 -0.075 0.000 1.828 97 c CB -1.235 41.223 42.510 -0.086 0.000 3.083 97 c HN 0.463 nan 8.230 nan 0.000 0.640 98 L N 4.060 125.185 121.223 -0.164 0.000 2.387 98 L HA 0.358 4.698 4.340 0.001 0.000 0.267 98 L C 0.677 177.355 176.870 -0.319 0.000 1.197 98 L CA 0.781 55.441 54.840 -0.301 0.000 1.070 98 L CB -0.308 41.367 42.059 -0.640 0.000 1.349 98 L HN 0.586 nan 8.230 nan 0.000 0.422 99 T N -0.786 113.805 114.554 0.063 0.000 2.942 99 T HA 0.729 5.079 4.350 0.001 0.000 0.289 99 T C -0.471 174.345 174.700 0.193 0.000 1.044 99 T CA -0.718 61.440 62.100 0.096 0.000 1.023 99 T CB 2.835 71.701 68.868 -0.002 0.000 1.123 99 T HN 0.218 nan 8.240 nan 0.000 0.512 100 I N 0.676 121.194 120.570 -0.087 0.000 2.689 100 I HA 0.534 4.705 4.170 0.001 0.000 0.299 100 I C -1.414 174.542 176.117 -0.269 0.000 1.059 100 I CA -1.126 59.995 61.300 -0.299 0.000 1.055 100 I CB 2.011 39.546 38.000 -0.774 0.000 1.243 100 I HN 0.868 nan 8.210 nan 0.000 0.425 101 N N 5.291 123.899 118.700 -0.154 0.000 2.354 101 N HA 0.548 5.288 4.740 0.001 0.000 0.287 101 N C -1.632 173.833 175.510 -0.074 0.000 1.016 101 N CA -0.639 52.357 53.050 -0.091 0.000 0.871 101 N CB 2.435 40.945 38.487 0.038 0.000 1.299 101 N HN 0.125 nan 8.380 nan 0.000 0.482 102 V N 2.510 122.366 119.914 -0.097 0.000 2.378 102 V HA 0.474 4.595 4.120 0.001 0.000 0.288 102 V C -0.421 175.732 176.094 0.098 0.000 1.016 102 V CA -0.662 61.570 62.300 -0.114 0.000 0.840 102 V CB 1.462 32.920 31.823 -0.609 0.000 0.994 102 V HN 0.368 nan 8.190 nan 0.000 0.431 103 V N 6.446 126.441 119.914 0.136 0.000 2.656 103 V HA 0.732 4.852 4.120 0.001 0.000 0.307 103 V C -0.090 176.104 176.094 0.167 0.000 1.051 103 V CA -0.727 61.664 62.300 0.152 0.000 0.893 103 V CB 2.121 34.000 31.823 0.094 0.000 0.999 103 V HN 1.036 nan 8.190 nan 0.000 0.426 104 R N 3.451 124.054 120.500 0.172 0.000 2.855 104 R HA 0.705 5.045 4.340 0.001 0.000 0.266 104 R C -3.210 173.161 176.300 0.119 0.000 1.034 104 R CA -2.276 53.920 56.100 0.160 0.000 0.944 104 R CB 1.587 32.015 30.300 0.214 0.000 1.219 104 R HN 0.329 nan 8.270 nan 0.000 0.474 105 P HA 0.069 nan 4.420 nan 0.000 0.265 105 P C -2.423 174.924 177.300 0.078 0.000 1.187 105 P CA -0.674 62.471 63.100 0.075 0.000 0.766 105 P CB -0.046 31.693 31.700 0.066 0.000 0.820 106 P HA 0.044 nan 4.420 nan 0.000 0.265 106 P C 0.987 178.321 177.300 0.057 0.000 1.193 106 P CA 1.203 64.334 63.100 0.053 0.000 0.765 106 P CB 0.125 31.845 31.700 0.034 0.000 0.823 107 G N 1.449 110.287 108.800 0.064 0.000 2.175 107 G HA2 -0.219 3.742 3.960 0.001 0.000 0.244 107 G HA3 -0.219 3.742 3.960 0.001 0.000 0.244 107 G C 0.328 175.269 174.900 0.069 0.000 0.982 107 G CA 0.038 45.173 45.100 0.058 0.000 0.641 107 G HN 0.596 nan 8.290 nan 0.000 0.527 108 T N 1.295 115.903 114.554 0.091 0.000 2.930 108 T HA 0.501 4.851 4.350 0.001 0.000 0.306 108 T C 0.402 175.159 174.700 0.095 0.000 1.045 108 T CA 0.564 62.721 62.100 0.094 0.000 1.134 108 T CB 1.329 70.268 68.868 0.120 0.000 0.961 108 T HN 0.462 nan 8.240 nan 0.000 0.545 109 K N 0.565 121.005 120.400 0.067 0.000 2.400 109 K HA 0.688 5.008 4.320 0.001 0.000 0.246 109 K C -0.310 176.304 176.600 0.024 0.000 0.995 109 K CA -0.952 55.362 56.287 0.045 0.000 0.840 109 K CB 1.720 34.238 32.500 0.030 0.000 1.293 109 K HN 0.669 nan 8.250 nan 0.000 0.445 110 A N 0.445 123.258 122.820 -0.011 0.000 2.561 110 A HA 0.368 4.688 4.320 0.001 0.000 0.234 110 A C 1.187 178.761 177.584 -0.016 0.000 1.055 110 A CA 1.371 53.386 52.037 -0.037 0.000 0.756 110 A CB -0.962 17.995 19.000 -0.071 0.000 0.986 110 A HN 0.954 nan 8.150 nan 0.000 0.505 111 G N 0.654 109.447 108.800 -0.013 0.000 2.225 111 G HA2 -0.053 3.908 3.960 0.001 0.000 0.254 111 G HA3 -0.053 3.908 3.960 0.001 0.000 0.254 111 G C 1.326 176.229 174.900 0.006 0.000 0.988 111 G CA 1.190 46.286 45.100 -0.006 0.000 0.625 111 G HN 2.049 nan 8.290 nan 0.000 0.527 112 A N 0.630 123.461 122.820 0.018 0.000 1.978 112 A HA 0.091 4.411 4.320 0.001 0.000 0.220 112 A C 1.618 179.215 177.584 0.022 0.000 1.170 112 A CA 1.947 53.999 52.037 0.024 0.000 0.636 112 A CB -0.466 18.557 19.000 0.039 0.000 0.810 112 A HN 1.473 nan 8.150 nan 0.000 0.448 113 N N -1.030 117.683 118.700 0.023 0.000 2.738 113 N HA -0.133 4.607 4.740 0.001 0.000 0.249 113 N C -0.541 174.982 175.510 0.022 0.000 1.047 113 N CA 0.915 53.976 53.050 0.019 0.000 0.707 113 N CB -1.714 36.778 38.487 0.009 0.000 0.937 113 N HN 0.566 nan 8.380 nan 0.000 0.545 114 L N 0.234 121.478 121.223 0.034 0.000 2.439 114 L HA 0.255 4.595 4.340 0.001 0.000 0.269 114 L C -1.503 175.385 176.870 0.030 0.000 1.179 114 L CA -1.364 53.497 54.840 0.035 0.000 0.828 114 L CB 0.075 42.165 42.059 0.052 0.000 1.106 114 L HN -0.149 nan 8.230 nan 0.000 0.467 115 P HA 0.024 nan 4.420 nan 0.000 0.268 115 P C -0.968 176.347 177.300 0.025 0.000 1.208 115 P CA -0.061 63.044 63.100 0.010 0.000 0.777 115 P CB 0.651 32.346 31.700 -0.009 0.000 0.875 116 V N 4.004 123.931 119.914 0.022 0.000 2.487 116 V HA 0.384 4.504 4.120 0.001 0.000 0.298 116 V C 0.052 176.161 176.094 0.025 0.000 1.028 116 V CA -0.336 61.986 62.300 0.036 0.000 0.860 116 V CB 1.463 33.310 31.823 0.040 0.000 0.991 116 V HN 0.476 nan 8.190 nan 0.000 0.427 117 M N 5.722 125.342 119.600 0.032 0.000 2.101 117 M HA 0.497 4.977 4.480 0.001 0.000 0.340 117 M C -0.853 175.521 176.300 0.123 0.000 1.057 117 M CA -0.304 55.020 55.300 0.038 0.000 0.984 117 M CB 1.694 34.243 32.600 -0.085 0.000 1.560 117 M HN 0.489 nan 8.290 nan 0.000 0.435 118 L N 4.755 126.072 121.223 0.156 0.000 2.257 118 L HA 0.426 4.767 4.340 0.001 0.000 0.290 118 L C -1.098 175.812 176.870 0.066 0.000 1.044 118 L CA -0.294 54.577 54.840 0.051 0.000 0.810 118 L CB 0.803 42.835 42.059 -0.045 0.000 1.193 118 L HN 0.766 nan 8.230 nan 0.000 0.425 119 W N 7.989 129.113 121.300 -0.293 0.000 2.390 119 W HA 0.461 5.121 4.660 0.000 0.000 0.312 119 W C -1.485 174.795 176.519 -0.398 0.000 1.123 119 W CA -0.785 56.205 57.345 -0.591 0.000 1.202 119 W CB 1.369 30.467 29.460 -0.603 0.000 1.251 119 W HN 0.370 nan 8.180 nan 0.000 0.511 120 I N 9.272 129.026 120.570 -1.361 0.000 2.390 120 I HA 0.118 4.289 4.170 0.001 0.000 0.283 120 I C 0.095 175.309 176.117 -1.505 0.000 1.016 120 I CA -0.935 59.702 61.300 -1.104 0.000 1.151 120 I CB 0.418 37.942 38.000 -0.793 0.000 1.293 120 I HN 0.205 nan 8.210 nan 0.000 0.458 121 F N 4.229 123.583 119.950 -0.993 0.000 2.490 121 F HA 0.729 5.256 4.527 0.000 0.000 0.336 121 F C 0.628 176.186 175.800 -0.403 0.000 1.178 121 F CA -0.792 56.714 58.000 -0.823 0.000 1.301 121 F CB 0.179 38.936 39.000 -0.405 0.000 1.175 121 F HN 0.355 nan 8.300 nan 0.000 0.593 122 G N -0.325 108.437 108.800 -0.064 0.000 2.566 122 G HA2 0.538 4.498 3.960 0.001 0.000 0.311 122 G HA3 0.538 4.498 3.960 0.001 0.000 0.311 122 G C -0.627 174.332 174.900 0.099 0.000 1.322 122 G CA -0.704 44.355 45.100 -0.069 0.000 0.969 122 G HN 1.220 nan 8.290 nan 0.000 0.490 123 G N -0.266 108.546 108.800 0.020 0.000 4.632 123 G HA2 0.536 4.496 3.960 0.001 0.000 0.244 123 G HA3 0.536 4.496 3.960 0.001 0.000 0.244 123 G C 0.846 175.580 174.900 -0.277 0.000 1.070 123 G CA 0.464 45.550 45.100 -0.024 0.000 0.791 123 G HN 1.900 nan 8.290 nan 0.000 0.544 124 G N 0.649 109.175 108.800 -0.457 0.000 2.321 124 G HA2 -0.253 3.707 3.960 0.001 0.000 0.287 124 G HA3 -0.253 3.707 3.960 0.001 0.000 0.287 124 G C 0.762 175.678 174.900 0.027 0.000 1.018 124 G CA 0.415 45.272 45.100 -0.404 0.000 0.855 124 G HN 1.366 nan 8.290 nan 0.000 0.507 125 F N -2.088 117.905 119.950 0.071 0.000 3.100 125 F HA -0.243 4.285 4.527 0.000 0.000 0.284 125 F C 1.359 177.367 175.800 0.346 0.000 0.875 125 F CA 1.919 60.011 58.000 0.154 0.000 1.039 125 F CB -1.685 37.223 39.000 -0.153 0.000 1.111 125 F HN 0.524 nan 8.300 nan 0.000 0.575 126 E N -1.669 118.802 120.200 0.451 0.000 2.576 126 E HA 0.310 4.660 4.350 0.001 0.000 0.214 126 E C 0.370 177.223 176.600 0.423 0.000 0.859 126 E CA 0.660 57.364 56.400 0.507 0.000 1.399 126 E CB 1.212 31.291 29.700 0.632 0.000 1.374 126 E HN 0.206 nan 8.360 nan 0.000 0.718 127 V N -2.532 117.601 119.914 0.364 0.000 3.167 127 V HA 0.981 5.102 4.120 0.001 0.000 0.310 127 V C -0.175 176.026 176.094 0.179 0.000 1.207 127 V CA -0.159 62.296 62.300 0.257 0.000 1.059 127 V CB 1.514 33.515 31.823 0.295 0.000 1.079 127 V HN 0.174 nan 8.190 nan 0.000 0.446 128 G N -1.092 107.709 108.800 0.003 0.000 2.428 128 G HA2 0.561 4.522 3.960 0.001 0.000 0.681 128 G HA3 0.561 4.522 3.960 0.001 0.000 0.681 128 G C -0.401 173.985 174.900 -0.857 0.000 1.340 128 G CA 0.065 44.968 45.100 -0.328 0.000 0.915 128 G HN 2.363 nan 8.290 nan 0.000 0.645 129 G N -1.495 106.617 108.800 -1.146 0.000 2.684 129 G HA2 0.819 4.779 3.960 0.001 0.000 0.290 129 G HA3 0.819 4.779 3.960 0.001 0.000 0.290 129 G C 0.859 175.423 174.900 -0.560 0.000 1.425 129 G CA 0.932 45.515 45.100 -0.861 0.000 0.822 129 G HN 1.766 nan 8.290 nan 0.000 0.482 130 T N -1.905 112.586 114.554 -0.104 0.000 2.857 130 T HA -0.099 4.252 4.350 0.001 0.000 0.266 130 T C 2.566 177.279 174.700 0.022 0.000 1.048 130 T CA 2.018 64.275 62.100 0.262 0.000 1.139 130 T CB -0.479 68.617 68.868 0.379 0.000 0.874 130 T HN 0.935 nan 8.240 nan 0.000 0.455 131 S N 2.237 117.660 115.700 -0.461 0.000 2.440 131 S HA -0.136 4.334 4.470 0.001 0.000 0.238 131 S C 1.910 176.153 174.600 -0.595 0.000 1.010 131 S CA 1.365 58.943 58.200 -1.035 0.000 0.972 131 S CB -1.432 61.206 63.200 -0.936 0.000 0.774 131 S HN 0.755 nan 8.310 nan 0.000 0.501 132 T N -0.849 113.419 114.554 -0.477 0.000 3.169 132 T HA 0.325 4.676 4.350 0.001 0.000 0.250 132 T C -0.182 174.008 174.700 -0.850 0.000 1.111 132 T CA -0.188 61.541 62.100 -0.618 0.000 1.010 132 T CB -0.638 67.798 68.868 -0.720 0.000 0.984 132 T HN 0.383 nan 8.240 nan 0.000 0.537 133 F N 3.077 122.934 119.950 -0.154 0.000 2.453 133 F HA 0.368 4.895 4.527 0.000 0.000 0.358 133 F C -2.477 173.127 175.800 -0.326 0.000 1.129 133 F CA -3.098 54.757 58.000 -0.242 0.000 1.200 133 F CB 0.999 39.833 39.000 -0.277 0.000 1.431 133 F HN -0.115 nan 8.300 nan 0.000 0.503 134 P HA 0.056 nan 4.420 nan 0.000 0.267 134 P C -2.104 175.005 177.300 -0.319 0.000 1.209 134 P CA -1.062 61.865 63.100 -0.288 0.000 0.763 134 P CB 1.078 32.566 31.700 -0.354 0.000 0.816 135 P HA -0.046 nan 4.420 nan 0.000 0.236 135 P C 1.246 178.395 177.300 -0.250 0.000 1.177 135 P CA 0.525 63.322 63.100 -0.506 0.000 0.773 135 P CB 0.017 31.235 31.700 -0.803 0.000 0.878 136 A N 1.049 123.768 122.820 -0.169 0.000 1.892 136 A HA -0.263 4.057 4.320 0.001 0.000 0.218 136 A C 2.497 180.036 177.584 -0.076 0.000 1.188 136 A CA 2.047 54.025 52.037 -0.098 0.000 0.631 136 A CB -1.594 17.355 19.000 -0.085 0.000 0.822 136 A HN 0.240 nan 8.150 nan 0.000 0.447 137 Q N -1.676 118.067 119.800 -0.095 0.000 2.084 137 Q HA -0.209 4.131 4.340 0.001 0.000 0.202 137 Q C 2.039 178.024 176.000 -0.024 0.000 0.978 137 Q CA 1.995 57.765 55.803 -0.055 0.000 0.844 137 Q CB -0.187 28.510 28.738 -0.068 0.000 0.898 137 Q HN 0.619 nan 8.270 nan 0.000 0.426 138 M N 0.007 119.594 119.600 -0.021 0.000 2.132 138 M HA -0.066 4.414 4.480 0.001 0.000 0.263 138 M C 1.681 178.003 176.300 0.037 0.000 1.065 138 M CA 1.455 56.776 55.300 0.036 0.000 1.122 138 M CB -0.061 32.602 32.600 0.104 0.000 1.365 138 M HN 0.296 nan 8.290 nan 0.000 0.411 139 I N -0.881 119.700 120.570 0.019 0.000 2.179 139 I HA -0.300 3.870 4.170 0.001 0.000 0.242 139 I C 1.980 178.111 176.117 0.023 0.000 1.088 139 I CA 1.627 62.947 61.300 0.033 0.000 1.357 139 I CB -0.722 37.292 38.000 0.024 0.000 1.051 139 I HN 0.314 nan 8.210 nan 0.000 0.409 140 T N 0.339 114.898 114.554 0.008 0.000 2.684 140 T HA -0.243 4.107 4.350 0.001 0.000 0.267 140 T C 1.919 176.626 174.700 0.012 0.000 1.036 140 T CA 1.667 63.772 62.100 0.008 0.000 1.148 140 T CB -0.225 68.642 68.868 -0.001 0.000 0.863 140 T HN 0.102 nan 8.240 nan 0.000 0.436 141 K N 1.847 122.254 120.400 0.012 0.000 2.097 141 K HA -0.072 4.248 4.320 0.001 0.000 0.206 141 K C 2.462 179.073 176.600 0.017 0.000 1.049 141 K CA 1.795 58.089 56.287 0.012 0.000 0.933 141 K CB -0.651 31.856 32.500 0.011 0.000 0.717 141 K HN 0.417 nan 8.250 nan 0.000 0.442 142 S N -0.195 115.521 115.700 0.026 0.000 2.383 142 S HA -0.103 4.367 4.470 0.001 0.000 0.227 142 S C 2.083 176.698 174.600 0.025 0.000 1.026 142 S CA 1.142 59.360 58.200 0.029 0.000 0.981 142 S CB -0.551 62.673 63.200 0.040 0.000 0.818 142 S HN 0.333 nan 8.310 nan 0.000 0.472 143 I N 2.395 122.980 120.570 0.025 0.000 2.179 143 I HA -0.118 4.052 4.170 0.001 0.000 0.242 143 I C 3.097 179.225 176.117 0.018 0.000 1.088 143 I CA 1.240 62.554 61.300 0.023 0.000 1.357 143 I CB -0.643 37.371 38.000 0.023 0.000 1.051 143 I HN 0.438 nan 8.210 nan 0.000 0.409 144 A N 0.190 123.019 122.820 0.015 0.000 2.019 144 A HA -0.190 4.130 4.320 0.001 0.000 0.219 144 A C 2.291 179.881 177.584 0.010 0.000 1.164 144 A CA 1.539 53.582 52.037 0.011 0.000 0.644 144 A CB -0.596 18.409 19.000 0.008 0.000 0.805 144 A HN 0.403 nan 8.150 nan 0.000 0.449 145 M N -1.592 118.015 119.600 0.012 0.000 2.562 145 M HA 0.110 4.590 4.480 0.001 0.000 0.257 145 M C 1.415 177.722 176.300 0.013 0.000 1.099 145 M CA 0.863 56.170 55.300 0.011 0.000 1.099 145 M CB 0.093 32.701 32.600 0.013 0.000 1.427 145 M HN 0.640 nan 8.290 nan 0.000 0.489 146 G N 1.614 110.422 108.800 0.014 0.000 2.143 146 G HA2 -0.260 3.700 3.960 0.001 0.000 0.248 146 G HA3 -0.260 3.700 3.960 0.001 0.000 0.248 146 G C 0.063 174.972 174.900 0.015 0.000 0.991 146 G CA 0.099 45.207 45.100 0.014 0.000 0.689 146 G HN 0.484 nan 8.290 nan 0.000 0.522 147 K N 0.940 121.350 120.400 0.017 0.000 2.954 147 K HA 0.271 4.592 4.320 0.001 0.000 0.171 147 K C -2.743 173.871 176.600 0.024 0.000 1.079 147 K CA -1.517 54.780 56.287 0.018 0.000 0.908 147 K CB 2.425 34.934 32.500 0.016 0.000 1.142 147 K HN 0.234 nan 8.250 nan 0.000 0.613 148 P HA 0.156 nan 4.420 nan 0.000 0.275 148 P C -0.450 176.876 177.300 0.043 0.000 1.227 148 P CA -0.358 62.765 63.100 0.038 0.000 0.781 148 P CB 0.701 32.425 31.700 0.040 0.000 0.906 149 I N -0.221 120.383 120.570 0.057 0.000 2.934 149 I HA 0.552 4.722 4.170 0.001 0.000 0.306 149 I C -0.466 175.708 176.117 0.094 0.000 1.110 149 I CA -1.400 59.938 61.300 0.063 0.000 1.019 149 I CB 1.659 39.691 38.000 0.055 0.000 1.227 149 I HN 0.136 nan 8.210 nan 0.000 0.434 150 I N 3.610 124.240 120.570 0.100 0.000 2.385 150 I HA 0.292 4.463 4.170 0.001 0.000 0.294 150 I C -0.474 175.745 176.117 0.171 0.000 0.988 150 I CA -0.505 60.873 61.300 0.129 0.000 1.265 150 I CB 1.034 39.099 38.000 0.108 0.000 1.388 150 I HN 0.661 nan 8.210 nan 0.000 0.480 151 H N 6.155 125.283 119.070 0.097 0.000 2.481 151 H HA 0.538 5.094 4.556 0.000 0.000 0.333 151 H C -1.596 173.800 175.328 0.114 0.000 1.066 151 H CA -0.431 55.700 56.048 0.139 0.000 1.209 151 H CB 1.782 31.630 29.762 0.143 0.000 1.445 151 H HN 0.259 nan 8.280 nan 0.000 0.488 152 V N 4.479 124.425 119.914 0.054 0.000 2.604 152 V HA 0.360 4.481 4.120 0.001 0.000 0.305 152 V C -0.364 175.766 176.094 0.060 0.000 1.043 152 V CA -0.706 61.625 62.300 0.053 0.000 0.888 152 V CB 1.800 33.614 31.823 -0.014 0.000 0.995 152 V HN 0.905 nan 8.190 nan 0.000 0.429 153 S N 2.877 118.654 115.700 0.129 0.000 2.548 153 S HA 0.835 5.306 4.470 0.001 0.000 0.286 153 S C -1.097 173.550 174.600 0.078 0.000 1.098 153 S CA -0.816 57.500 58.200 0.193 0.000 0.930 153 S CB 2.018 65.493 63.200 0.458 0.000 1.070 153 S HN 0.789 nan 8.310 nan 0.000 0.480 154 V N 2.124 122.062 119.914 0.040 0.000 2.588 154 V HA 0.510 4.630 4.120 0.001 0.000 0.304 154 V C -0.781 175.439 176.094 0.211 0.000 1.042 154 V CA -0.821 61.459 62.300 -0.033 0.000 0.877 154 V CB 1.513 33.165 31.823 -0.285 0.000 0.996 154 V HN 1.066 nan 8.190 nan 0.000 0.425 155 N N 4.616 123.511 118.700 0.325 0.000 2.513 155 N HA 0.600 5.340 4.740 0.001 0.000 0.274 155 N C -1.565 174.201 175.510 0.425 0.000 1.189 155 N CA -0.187 53.122 53.050 0.432 0.000 0.975 155 N CB 1.031 39.692 38.487 0.290 0.000 1.157 155 N HN 0.749 nan 8.380 nan 0.000 0.465 156 Y N -1.938 118.509 120.300 0.246 0.000 2.588 156 Y HA 0.503 5.053 4.550 0.000 0.000 0.343 156 Y C -0.693 175.315 175.900 0.180 0.000 1.065 156 Y CA -1.456 56.733 58.100 0.149 0.000 1.038 156 Y CB 0.737 39.212 38.460 0.025 0.000 1.297 156 Y HN 0.199 nan 8.280 nan 0.000 0.467 157 R N 1.724 122.356 120.500 0.219 0.000 2.442 157 R HA 0.542 4.882 4.340 0.001 0.000 0.291 157 R C -0.524 175.920 176.300 0.240 0.000 1.069 157 R CA -0.398 55.789 56.100 0.144 0.000 1.022 157 R CB 0.982 31.357 30.300 0.126 0.000 0.976 157 R HN 0.689 nan 8.270 nan 0.000 0.443 158 V N -0.162 119.909 119.914 0.262 0.000 3.103 158 V HA 0.687 4.807 4.120 0.001 0.000 0.318 158 V C 0.685 177.098 176.094 0.533 0.000 1.114 158 V CA -0.660 61.917 62.300 0.461 0.000 1.020 158 V CB 1.589 33.614 31.823 0.336 0.000 1.085 158 V HN 1.025 nan 8.190 nan 0.000 0.446 159 S N 1.205 117.232 115.700 0.546 0.000 3.426 159 S HA -0.277 4.193 4.470 0.001 0.000 0.630 159 S C 1.640 176.022 174.600 -0.363 0.000 2.670 159 S CA 2.169 60.472 58.200 0.172 0.000 3.374 159 S CB -1.823 61.575 63.200 0.329 0.000 0.296 159 S HN 2.763 nan 8.310 nan 0.000 1.445 160 S N 0.913 115.940 115.700 -1.121 0.000 2.383 160 S HA -0.147 4.323 4.470 0.001 0.000 0.229 160 S C 1.854 176.345 174.600 -0.182 0.000 1.030 160 S CA 1.761 59.440 58.200 -0.870 0.000 1.002 160 S CB -0.971 61.708 63.200 -0.868 0.000 0.829 160 S HN 0.669 nan 8.310 nan 0.000 0.467 161 W N 1.718 123.069 121.300 0.085 0.000 2.342 161 W HA 0.072 4.732 4.660 0.000 0.000 0.297 161 W C 2.513 179.107 176.519 0.124 0.000 1.213 161 W CA 1.028 58.459 57.345 0.144 0.000 1.251 161 W CB -1.064 28.412 29.460 0.027 0.000 1.136 161 W HN 0.619 nan 8.180 nan 0.000 0.526 162 G N -2.591 106.365 108.800 0.259 0.000 2.781 162 G HA2 0.078 4.038 3.960 0.001 0.000 0.208 162 G HA3 0.078 4.038 3.960 0.001 0.000 0.208 162 G C 0.302 174.899 174.900 -0.505 0.000 1.099 162 G CA -0.033 45.012 45.100 -0.091 0.000 0.776 162 G HN 0.051 nan 8.290 nan 0.000 0.532 163 F N 0.476 120.569 119.950 0.238 0.000 2.790 163 F HA 0.467 4.994 4.527 0.001 0.000 0.371 163 F C -0.071 175.860 175.800 0.219 0.000 1.293 163 F CA -1.084 57.042 58.000 0.210 0.000 1.205 163 F CB 0.793 39.931 39.000 0.231 0.000 1.047 163 F HN -0.111 nan 8.300 nan 0.000 0.510 164 L N 1.583 122.932 121.223 0.210 0.000 2.416 164 L HA 0.642 4.983 4.340 0.001 0.000 0.272 164 L C 0.253 177.164 176.870 0.068 0.000 1.161 164 L CA 0.192 55.104 54.840 0.121 0.000 0.845 164 L CB 0.304 42.237 42.059 -0.209 0.000 1.119 164 L HN 0.278 nan 8.230 nan 0.000 0.464 165 A N 2.650 125.500 122.820 0.051 0.000 2.726 165 A HA 0.998 5.319 4.320 0.001 0.000 0.248 165 A C 0.130 177.608 177.584 -0.176 0.000 1.249 165 A CA -0.162 51.854 52.037 -0.035 0.000 0.846 165 A CB 0.374 19.378 19.000 0.008 0.000 1.391 165 A HN 1.700 nan 8.150 nan 0.000 0.497 166 G N -1.369 107.328 108.800 -0.172 0.000 2.592 166 G HA2 0.029 3.989 3.960 0.001 0.000 0.684 166 G HA3 0.029 3.989 3.960 0.001 0.000 0.684 166 G C -0.203 174.530 174.900 -0.278 0.000 1.291 166 G CA 0.304 45.258 45.100 -0.244 0.000 0.891 166 G HN 0.624 nan 8.290 nan 0.000 0.544 167 D N 0.235 120.486 120.400 -0.248 0.000 2.123 167 D HA -0.051 4.590 4.640 0.001 0.000 0.196 167 D C 2.248 178.409 176.300 -0.232 0.000 0.992 167 D CA 1.960 55.845 54.000 -0.192 0.000 0.833 167 D CB -0.017 40.708 40.800 -0.126 0.000 0.954 167 D HN 0.586 nan 8.370 nan 0.000 0.455 168 E N 0.301 120.271 120.200 -0.383 0.000 2.072 168 E HA -0.043 4.307 4.350 0.001 0.000 0.190 168 E C 2.247 178.693 176.600 -0.258 0.000 0.982 168 E CA 0.128 56.348 56.400 -0.300 0.000 0.803 168 E CB -0.064 29.425 29.700 -0.352 0.000 0.755 168 E HN 0.192 nan 8.360 nan 0.000 0.453 169 I N 1.295 121.655 120.570 -0.351 0.000 2.163 169 I HA -0.287 3.883 4.170 0.001 0.000 0.243 169 I C 2.270 178.318 176.117 -0.115 0.000 1.085 169 I CA 1.458 62.640 61.300 -0.196 0.000 1.347 169 I CB -0.773 37.103 38.000 -0.206 0.000 1.044 169 I HN 0.162 nan 8.210 nan 0.000 0.408 170 K N 0.928 121.252 120.400 -0.126 0.000 2.009 170 K HA -0.191 4.129 4.320 0.001 0.000 0.210 170 K C 2.191 178.753 176.600 -0.064 0.000 1.049 170 K CA 1.767 58.005 56.287 -0.081 0.000 0.929 170 K CB -0.050 32.402 32.500 -0.079 0.000 0.714 170 K HN 0.259 nan 8.250 nan 0.000 0.440 171 A N 1.265 124.041 122.820 -0.073 0.000 1.940 171 A HA -0.227 4.093 4.320 0.001 0.000 0.219 171 A C 1.922 179.487 177.584 -0.032 0.000 1.176 171 A CA 1.947 53.955 52.037 -0.049 0.000 0.631 171 A CB -0.509 18.460 19.000 -0.052 0.000 0.814 171 A HN 0.616 nan 8.150 nan 0.000 0.446 172 E N -1.017 119.164 120.200 -0.032 0.000 2.435 172 E HA 0.187 4.537 4.350 0.001 0.000 0.195 172 E C 1.008 177.609 176.600 0.003 0.000 1.029 172 E CA 0.588 56.984 56.400 -0.006 0.000 0.865 172 E CB -0.267 29.436 29.700 0.005 0.000 0.833 172 E HN 0.767 nan 8.360 nan 0.000 0.510 173 G N 0.759 109.555 108.800 -0.008 0.000 2.182 173 G HA2 -0.227 3.734 3.960 0.001 0.000 0.248 173 G HA3 -0.227 3.734 3.960 0.001 0.000 0.248 173 G C 0.388 175.300 174.900 0.021 0.000 1.042 173 G CA 0.517 45.617 45.100 -0.000 0.000 0.775 173 G HN 0.252 nan 8.290 nan 0.000 0.501 174 S N -0.358 115.356 115.700 0.023 0.000 2.601 174 S HA 0.629 5.099 4.470 0.001 0.000 0.244 174 S C 1.158 175.790 174.600 0.053 0.000 1.001 174 S CA 0.432 58.664 58.200 0.053 0.000 0.984 174 S CB 0.679 63.925 63.200 0.077 0.000 0.842 174 S HN 1.477 nan 8.310 nan 0.000 0.474 175 A N 2.258 125.100 122.820 0.035 0.000 2.407 175 A HA 0.461 4.782 4.320 0.001 0.000 0.248 175 A C 0.671 178.311 177.584 0.095 0.000 1.082 175 A CA -0.328 51.739 52.037 0.049 0.000 0.785 175 A CB -0.069 18.945 19.000 0.023 0.000 1.020 175 A HN 0.455 nan 8.150 nan 0.000 0.489 176 N N -0.497 118.277 118.700 0.124 0.000 2.738 176 N HA -0.222 4.518 4.740 0.001 0.000 0.249 176 N C 0.947 176.469 175.510 0.019 0.000 1.047 176 N CA 0.974 54.121 53.050 0.163 0.000 0.707 176 N CB -1.533 37.142 38.487 0.313 0.000 0.937 176 N HN 1.002 nan 8.380 nan 0.000 0.545 177 A N 0.161 122.923 122.820 -0.095 0.000 1.908 177 A HA -0.041 4.279 4.320 0.001 0.000 0.218 177 A C 2.306 179.819 177.584 -0.118 0.000 1.181 177 A CA 2.291 54.297 52.037 -0.051 0.000 0.627 177 A CB -0.793 18.203 19.000 -0.006 0.000 0.818 177 A HN 0.559 nan 8.150 nan 0.000 0.445 178 G N -0.316 108.231 108.800 -0.421 0.000 2.442 178 G HA2 -0.171 3.789 3.960 0.001 0.000 0.219 178 G HA3 -0.171 3.789 3.960 0.001 0.000 0.219 178 G C 1.521 176.406 174.900 -0.024 0.000 1.141 178 G CA 1.082 46.056 45.100 -0.211 0.000 0.763 178 G HN 0.457 nan 8.290 nan 0.000 0.554 179 L N -0.372 120.846 121.223 -0.009 0.000 2.156 179 L HA 0.046 4.386 4.340 0.001 0.000 0.208 179 L C 2.884 179.662 176.870 -0.152 0.000 1.095 179 L CA 0.845 55.626 54.840 -0.098 0.000 0.770 179 L CB -0.189 41.823 42.059 -0.077 0.000 0.914 179 L HN 0.169 nan 8.230 nan 0.000 0.439 180 K N -0.050 120.354 120.400 0.006 0.000 2.057 180 K HA -0.145 4.175 4.320 0.001 0.000 0.206 180 K C 1.668 178.303 176.600 0.059 0.000 1.050 180 K CA 1.330 57.657 56.287 0.067 0.000 0.935 180 K CB -0.121 32.479 32.500 0.167 0.000 0.715 180 K HN 0.242 nan 8.250 nan 0.000 0.439 181 D N 1.149 121.604 120.400 0.092 0.000 2.104 181 D HA -0.180 4.460 4.640 0.001 0.000 0.194 181 D C 1.965 178.368 176.300 0.172 0.000 0.994 181 D CA 1.338 55.462 54.000 0.207 0.000 0.830 181 D CB -0.178 40.775 40.800 0.254 0.000 0.959 181 D HN 0.287 nan 8.370 nan 0.000 0.452 182 Q N -0.009 119.789 119.800 -0.002 0.000 2.124 182 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 182 Q C 2.213 178.068 176.000 -0.240 0.000 0.977 182 Q CA 0.963 56.667 55.803 -0.165 0.000 0.850 182 Q CB 0.001 28.600 28.738 -0.232 0.000 0.901 182 Q HN 0.005 nan 8.270 nan 0.000 0.429 183 R N 0.667 121.051 120.500 -0.192 0.000 2.092 183 R HA -0.117 4.223 4.340 0.001 0.000 0.231 183 R C 1.905 178.103 176.300 -0.169 0.000 1.119 183 R CA 0.868 56.817 56.100 -0.253 0.000 0.970 183 R CB -0.475 29.669 30.300 -0.260 0.000 0.864 183 R HN 0.236 nan 8.270 nan 0.000 0.440 184 L N -0.376 120.824 121.223 -0.038 0.000 2.093 184 L HA 0.117 4.458 4.340 0.001 0.000 0.208 184 L C 1.985 178.833 176.870 -0.037 0.000 1.085 184 L CA 2.180 57.052 54.840 0.054 0.000 0.755 184 L CB -1.010 41.205 42.059 0.259 0.000 0.904 184 L HN 0.274 nan 8.230 nan 0.000 0.435 185 G N -0.729 107.873 108.800 -0.329 0.000 2.422 185 G HA2 -0.297 3.663 3.960 0.001 0.000 0.218 185 G HA3 -0.297 3.663 3.960 0.001 0.000 0.218 185 G C 1.577 176.299 174.900 -0.296 0.000 1.146 185 G CA 1.068 45.742 45.100 -0.710 0.000 0.769 185 G HN 0.392 nan 8.290 nan 0.000 0.547 186 M N -0.167 119.277 119.600 -0.261 0.000 2.117 186 M HA -0.103 4.378 4.480 0.001 0.000 0.262 186 M C 2.811 179.026 176.300 -0.141 0.000 1.065 186 M CA 1.397 56.588 55.300 -0.182 0.000 1.114 186 M CB -0.243 32.226 32.600 -0.219 0.000 1.361 186 M HN 0.264 nan 8.290 nan 0.000 0.408 187 Q N -1.276 118.379 119.800 -0.242 0.000 2.124 187 Q HA -0.238 4.103 4.340 0.001 0.000 0.202 187 Q C 1.789 177.748 176.000 -0.068 0.000 0.977 187 Q CA 1.709 57.255 55.803 -0.429 0.000 0.850 187 Q CB -0.223 28.125 28.738 -0.650 0.000 0.901 187 Q HN 0.656 nan 8.270 nan 0.000 0.429 188 W N 0.169 121.384 121.300 -0.141 0.000 2.381 188 W HA -0.181 4.479 4.660 0.000 0.000 0.301 188 W C 1.799 178.297 176.519 -0.036 0.000 1.205 188 W CA 1.045 58.363 57.345 -0.045 0.000 1.285 188 W CB -0.047 29.371 29.460 -0.070 0.000 1.133 188 W HN -0.167 nan 8.180 nan 0.000 0.521 189 V N 1.366 121.442 119.914 0.270 0.000 2.261 189 V HA -0.337 3.783 4.120 0.001 0.000 0.246 189 V C 2.553 178.671 176.094 0.040 0.000 1.047 189 V CA 2.343 64.739 62.300 0.160 0.000 1.015 189 V CB -1.706 30.176 31.823 0.099 0.000 0.642 189 V HN 0.331 nan 8.190 nan 0.000 0.446 190 A N -0.182 122.675 122.820 0.062 0.000 1.917 190 A HA -0.300 4.021 4.320 0.001 0.000 0.219 190 A C 1.945 179.570 177.584 0.069 0.000 1.182 190 A CA 2.342 54.441 52.037 0.103 0.000 0.633 190 A CB -0.638 18.515 19.000 0.256 0.000 0.819 190 A HN 0.581 nan 8.150 nan 0.000 0.448 191 D N -0.930 119.499 120.400 0.048 0.000 2.277 191 D HA -0.012 4.628 4.640 0.001 0.000 0.208 191 D C 1.086 177.261 176.300 -0.208 0.000 0.962 191 D CA 0.757 54.729 54.000 -0.047 0.000 0.865 191 D CB -0.078 40.711 40.800 -0.020 0.000 0.939 191 D HN 0.510 nan 8.370 nan 0.000 0.510 192 N N -0.335 118.153 118.700 -0.352 0.000 2.168 192 N HA 0.029 4.770 4.740 0.001 0.000 0.216 192 N C 1.330 176.739 175.510 -0.167 0.000 1.259 192 N CA -0.137 52.643 53.050 -0.450 0.000 0.902 192 N CB 1.156 38.960 38.487 -1.138 0.000 1.079 192 N HN 0.034 nan 8.380 nan 0.000 0.507 193 I N 2.234 122.777 120.570 -0.044 0.000 2.676 193 I HA 0.011 4.181 4.170 0.001 0.000 0.259 193 I C 2.144 178.344 176.117 0.138 0.000 1.194 193 I CA 0.529 61.920 61.300 0.150 0.000 1.473 193 I CB -0.184 37.867 38.000 0.084 0.000 1.096 193 I HN 0.034 nan 8.210 nan 0.000 0.443 194 A N 0.445 123.279 122.820 0.024 0.000 1.978 194 A HA -0.162 4.158 4.320 0.001 0.000 0.220 194 A C 2.453 180.007 177.584 -0.050 0.000 1.170 194 A CA 1.688 53.722 52.037 -0.005 0.000 0.636 194 A CB -1.096 17.884 19.000 -0.034 0.000 0.810 194 A HN 0.474 nan 8.150 nan 0.000 0.448 195 A N -1.746 120.991 122.820 -0.138 0.000 2.121 195 A HA 0.127 4.447 4.320 0.001 0.000 0.218 195 A C 1.617 178.909 177.584 -0.487 0.000 1.154 195 A CA 1.089 52.933 52.037 -0.321 0.000 0.679 195 A CB -0.615 18.106 19.000 -0.466 0.000 0.795 195 A HN 0.494 nan 8.150 nan 0.000 0.458 196 F N -1.410 118.457 119.950 -0.139 0.000 2.776 196 F HA 0.358 4.885 4.527 0.001 0.000 0.300 196 F C 1.823 177.601 175.800 -0.038 0.000 1.116 196 F CA 0.749 58.669 58.000 -0.133 0.000 1.375 196 F CB 0.418 39.333 39.000 -0.141 0.000 1.109 196 F HN 0.337 nan 8.300 nan 0.000 0.585 197 G N 0.017 108.880 108.800 0.105 0.000 2.168 197 G HA2 -0.094 3.867 3.960 0.001 0.000 0.197 197 G HA3 -0.094 3.867 3.960 0.001 0.000 0.197 197 G C 0.426 175.377 174.900 0.084 0.000 0.997 197 G CA -0.404 44.745 45.100 0.082 0.000 0.658 197 G HN 0.677 nan 8.290 nan 0.000 0.513 198 G N -0.594 108.265 108.800 0.098 0.000 2.434 198 G HA2 0.528 4.489 3.960 0.001 0.000 0.330 198 G HA3 0.528 4.489 3.960 0.001 0.000 0.330 198 G C -1.198 173.730 174.900 0.047 0.000 1.155 198 G CA -0.047 45.098 45.100 0.075 0.000 0.917 198 G HN 0.145 nan 8.290 nan 0.000 0.493 199 D N 1.119 121.539 120.400 0.033 0.000 2.317 199 D HA 0.288 4.928 4.640 0.001 0.000 0.234 199 D C -1.132 175.180 176.300 0.020 0.000 1.112 199 D CA -2.292 51.719 54.000 0.019 0.000 0.840 199 D CB 2.157 42.964 40.800 0.011 0.000 1.078 199 D HN 0.048 nan 8.370 nan 0.000 0.486 200 P HA -0.100 nan 4.420 nan 0.000 0.228 200 P C 0.838 178.150 177.300 0.020 0.000 1.151 200 P CA 0.887 64.001 63.100 0.024 0.000 0.770 200 P CB 0.015 31.727 31.700 0.020 0.000 0.786 201 T N -4.317 110.242 114.554 0.009 0.000 3.086 201 T HA 0.184 4.535 4.350 0.001 0.000 0.250 201 T C 0.949 175.648 174.700 -0.001 0.000 1.074 201 T CA -0.064 62.037 62.100 0.001 0.000 0.988 201 T CB -0.260 68.604 68.868 -0.007 0.000 0.988 201 T HN 0.062 nan 8.240 nan 0.000 0.530 202 K N 1.742 122.145 120.400 0.004 0.000 3.237 202 K HA 0.411 4.731 4.320 0.001 0.000 0.197 202 K C -1.078 175.525 176.600 0.005 0.000 1.133 202 K CA -0.291 55.992 56.287 -0.007 0.000 0.944 202 K CB 1.497 33.988 32.500 -0.014 0.000 0.952 202 K HN 0.171 nan 8.250 nan 0.000 0.515 203 V N 1.502 121.435 119.914 0.032 0.000 2.383 203 V HA 0.180 4.300 4.120 0.001 0.000 0.275 203 V C 0.270 176.404 176.094 0.067 0.000 1.036 203 V CA -0.300 62.032 62.300 0.052 0.000 0.889 203 V CB 1.472 33.343 31.823 0.080 0.000 0.985 203 V HN 0.281 nan 8.190 nan 0.000 0.459 204 T N 6.747 121.319 114.554 0.031 0.000 2.767 204 T HA 0.566 4.917 4.350 0.001 0.000 0.284 204 T C -0.030 174.697 174.700 0.046 0.000 0.973 204 T CA -0.134 61.985 62.100 0.030 0.000 0.996 204 T CB 0.646 69.502 68.868 -0.020 0.000 0.927 204 T HN 0.605 nan 8.240 nan 0.000 0.456 205 I N 1.984 122.542 120.570 -0.020 0.000 2.353 205 I HA 0.830 5.001 4.170 0.001 0.000 0.293 205 I C -0.693 175.456 176.117 0.053 0.000 0.992 205 I CA -0.953 60.294 61.300 -0.088 0.000 1.268 205 I CB 0.717 38.452 38.000 -0.441 0.000 1.387 205 I HN 0.487 nan 8.210 nan 0.000 0.478 206 F N 3.350 123.198 119.950 -0.171 0.000 2.613 206 F HA 1.016 5.543 4.527 0.000 0.000 0.310 206 F C -0.404 175.226 175.800 -0.283 0.000 1.085 206 F CA -1.122 56.802 58.000 -0.126 0.000 0.945 206 F CB 1.426 40.449 39.000 0.038 0.000 1.298 206 F HN 0.810 nan 8.300 nan 0.000 0.455 207 G N 0.818 109.384 108.800 -0.389 0.000 2.623 207 G HA2 0.504 4.464 3.960 0.001 0.000 0.290 207 G HA3 0.504 4.464 3.960 0.001 0.000 0.290 207 G C -2.542 172.101 174.900 -0.428 0.000 1.437 207 G CA -0.782 43.762 45.100 -0.926 0.000 0.798 207 G HN 0.871 nan 8.290 nan 0.000 0.488 208 E N 0.178 120.111 120.200 -0.444 0.000 2.266 208 E HA 0.628 4.979 4.350 0.001 0.000 0.268 208 E C 0.630 177.184 176.600 -0.077 0.000 0.879 208 E CA 0.317 56.681 56.400 -0.060 0.000 0.762 208 E CB 2.201 32.004 29.700 0.172 0.000 1.199 208 E HN 1.020 nan 8.360 nan 0.000 0.422 209 S N 2.968 118.707 115.700 0.064 0.000 4.114 209 S HA -0.396 4.074 4.470 0.001 0.000 0.618 209 S C 1.485 176.101 174.600 0.026 0.000 1.937 209 S CA 2.405 60.744 58.200 0.232 0.000 4.228 209 S CB -1.648 61.706 63.200 0.256 0.000 0.216 209 S HN 1.066 nan 8.310 nan 0.000 0.528 210 A N 1.090 123.787 122.820 -0.204 0.000 2.076 210 A HA 0.182 4.502 4.320 0.001 0.000 0.220 210 A C 2.470 179.730 177.584 -0.542 0.000 1.160 210 A CA 2.315 53.924 52.037 -0.712 0.000 0.653 210 A CB -1.538 16.629 19.000 -1.388 0.000 0.801 210 A HN 1.627 nan 8.150 nan 0.000 0.455 211 G N -1.269 107.279 108.800 -0.419 0.000 2.421 211 G HA2 -0.096 3.864 3.960 0.001 0.000 0.217 211 G HA3 -0.096 3.864 3.960 0.001 0.000 0.217 211 G C 1.827 176.484 174.900 -0.406 0.000 1.143 211 G CA 1.253 46.041 45.100 -0.519 0.000 0.784 211 G HN 0.536 nan 8.290 nan 0.000 0.541 212 S N -0.212 115.330 115.700 -0.263 0.000 2.371 212 S HA 0.013 4.483 4.470 0.001 0.000 0.224 212 S C 2.466 176.967 174.600 -0.164 0.000 1.029 212 S CA 1.013 59.107 58.200 -0.177 0.000 0.978 212 S CB -0.251 62.917 63.200 -0.053 0.000 0.833 212 S HN 0.347 nan 8.310 nan 0.000 0.466 213 M N 0.758 120.297 119.600 -0.101 0.000 2.159 213 M HA -0.066 4.414 4.480 0.001 0.000 0.263 213 M C 2.376 178.621 176.300 -0.091 0.000 1.063 213 M CA 1.192 56.456 55.300 -0.061 0.000 1.110 213 M CB -0.391 32.276 32.600 0.112 0.000 1.374 213 M HN 0.249 nan 8.290 nan 0.000 0.411 214 S N 0.086 115.720 115.700 -0.110 0.000 2.370 214 S HA -0.128 4.343 4.470 0.001 0.000 0.226 214 S C 1.923 176.361 174.600 -0.270 0.000 1.033 214 S CA 1.326 59.391 58.200 -0.225 0.000 1.011 214 S CB -0.353 62.653 63.200 -0.324 0.000 0.852 214 S HN 0.262 nan 8.310 nan 0.000 0.457 215 V N 1.610 121.383 119.914 -0.234 0.000 2.332 215 V HA -0.212 3.908 4.120 0.001 0.000 0.248 215 V C 2.330 178.286 176.094 -0.231 0.000 1.055 215 V CA 2.029 64.191 62.300 -0.230 0.000 1.038 215 V CB -0.574 31.092 31.823 -0.261 0.000 0.651 215 V HN 0.433 nan 8.190 nan 0.000 0.450 216 M N -0.024 119.421 119.600 -0.259 0.000 2.080 216 M HA -0.181 4.299 4.480 0.001 0.000 0.260 216 M C 2.176 178.376 176.300 -0.167 0.000 1.068 216 M CA 2.024 57.153 55.300 -0.285 0.000 1.109 216 M CB -1.101 31.291 32.600 -0.347 0.000 1.342 216 M HN 0.413 nan 8.290 nan 0.000 0.405 217 C N -0.129 119.066 119.300 -0.176 0.000 2.411 217 C HA -0.171 4.289 4.460 0.001 0.000 0.279 217 C C 2.650 177.600 174.990 -0.066 0.000 1.288 217 C CA 0.943 59.896 59.018 -0.109 0.000 1.764 217 C CB -1.779 25.856 27.740 -0.175 0.000 1.974 217 C HN 0.546 nan 8.230 nan 0.000 0.498 218 H N 0.059 119.095 119.070 -0.057 0.000 2.462 218 H HA 0.078 4.635 4.556 0.000 0.000 0.292 218 H C 2.189 177.653 175.328 0.227 0.000 1.049 218 H CA 1.162 57.192 56.048 -0.029 0.000 1.334 218 H CB -0.225 29.349 29.762 -0.314 0.000 1.404 218 H HN 0.508 nan 8.280 nan 0.000 0.544 219 I N 0.438 121.156 120.570 0.247 0.000 2.439 219 I HA -0.205 3.965 4.170 0.001 0.000 0.251 219 I C 1.924 178.258 176.117 0.361 0.000 1.139 219 I CA 0.865 62.372 61.300 0.346 0.000 1.438 219 I CB -0.019 38.081 38.000 0.167 0.000 1.085 219 I HN 0.122 nan 8.210 nan 0.000 0.427 220 L N -0.868 120.524 121.223 0.282 0.000 2.446 220 L HA -0.010 4.330 4.340 0.001 0.000 0.219 220 L C 1.107 178.145 176.870 0.280 0.000 1.116 220 L CA -0.197 54.802 54.840 0.266 0.000 0.844 220 L CB -0.309 41.853 42.059 0.172 0.000 0.970 220 L HN 0.346 nan 8.230 nan 0.000 0.457 221 W N 3.171 124.533 121.300 0.104 0.000 2.343 221 W HA -0.150 4.510 4.660 0.000 0.000 0.337 221 W C 0.359 176.937 176.519 0.098 0.000 1.320 221 W CA 0.461 57.862 57.345 0.093 0.000 1.290 221 W CB 0.288 29.834 29.460 0.143 0.000 1.206 221 W HN 0.356 nan 8.180 nan 0.000 0.565 222 N N 4.046 122.672 118.700 -0.123 0.000 2.727 222 N HA -0.244 4.496 4.740 0.001 0.000 0.249 222 N C -0.184 175.342 175.510 0.027 0.000 1.048 222 N CA 1.918 54.925 53.050 -0.072 0.000 0.714 222 N CB -1.497 37.036 38.487 0.076 0.000 0.959 222 N HN 0.476 nan 8.380 nan 0.000 0.544 223 D N -1.741 118.671 120.400 0.020 0.000 2.811 223 D HA -0.194 4.446 4.640 0.001 0.000 0.231 223 D C 1.152 177.501 176.300 0.082 0.000 1.157 223 D CA 2.290 56.314 54.000 0.040 0.000 0.716 223 D CB -1.395 39.404 40.800 -0.002 0.000 1.077 223 D HN 0.923 nan 8.370 nan 0.000 0.428 224 G N 0.060 108.956 108.800 0.159 0.000 2.157 224 G HA2 -0.281 3.680 3.960 0.001 0.000 0.239 224 G HA3 -0.281 3.680 3.960 0.001 0.000 0.239 224 G C -0.174 174.815 174.900 0.149 0.000 0.982 224 G CA 0.157 45.374 45.100 0.197 0.000 0.650 224 G HN 0.526 nan 8.290 nan 0.000 0.527 225 D N 1.220 121.700 120.400 0.133 0.000 2.380 225 D HA 0.353 4.994 4.640 0.001 0.000 0.230 225 D C 1.172 177.546 176.300 0.123 0.000 1.154 225 D CA -0.372 53.687 54.000 0.098 0.000 0.859 225 D CB 0.117 40.967 40.800 0.083 0.000 1.045 225 D HN 0.278 nan 8.370 nan 0.000 0.495 226 N N 2.019 120.736 118.700 0.028 0.000 2.320 226 N HA -0.004 4.736 4.740 0.001 0.000 0.237 226 N C -0.373 175.077 175.510 -0.100 0.000 1.129 226 N CA -0.459 52.541 53.050 -0.084 0.000 0.854 226 N CB -0.081 38.132 38.487 -0.457 0.000 1.083 226 N HN 0.270 nan 8.380 nan 0.000 0.504 227 T N -2.726 111.833 114.554 0.008 0.000 2.934 227 T HA 0.420 4.770 4.350 0.001 0.000 0.283 227 T C -1.008 173.780 174.700 0.147 0.000 1.005 227 T CA -0.658 61.462 62.100 0.033 0.000 1.041 227 T CB 1.616 70.497 68.868 0.021 0.000 1.042 227 T HN 0.176 nan 8.240 nan 0.000 0.505 228 Y N 0.716 121.007 120.300 -0.014 0.000 2.361 228 Y HA 0.381 4.931 4.550 0.001 0.000 0.328 228 Y C 0.099 175.998 175.900 -0.001 0.000 1.044 228 Y CA -1.688 56.416 58.100 0.008 0.000 1.085 228 Y CB 1.138 39.603 38.460 0.008 0.000 1.194 228 Y HN 0.972 nan 8.280 nan 0.000 0.438 229 K N 4.615 124.842 120.400 -0.288 0.000 3.035 229 K HA -0.216 4.104 4.320 0.001 0.000 0.262 229 K C 0.853 177.363 176.600 -0.150 0.000 1.024 229 K CA 1.098 57.196 56.287 -0.315 0.000 0.748 229 K CB -1.608 30.558 32.500 -0.556 0.000 1.247 229 K HN 1.506 nan 8.250 nan 0.000 0.482 230 G N -0.291 108.467 108.800 -0.069 0.000 2.159 230 G HA2 -0.343 3.618 3.960 0.001 0.000 0.256 230 G HA3 -0.343 3.618 3.960 0.001 0.000 0.256 230 G C -0.139 174.741 174.900 -0.033 0.000 0.977 230 G CA 0.911 45.986 45.100 -0.041 0.000 0.652 230 G HN 0.353 nan 8.290 nan 0.000 0.531 231 K N 0.313 120.699 120.400 -0.025 0.000 2.422 231 K HA 0.522 4.842 4.320 0.001 0.000 0.251 231 K C -2.834 173.756 176.600 -0.017 0.000 0.933 231 K CA -2.366 53.909 56.287 -0.020 0.000 0.798 231 K CB 2.667 35.156 32.500 -0.018 0.000 1.238 231 K HN -0.097 nan 8.250 nan 0.000 0.428 232 P HA 0.012 nan 4.420 nan 0.000 0.266 232 P C 0.065 177.287 177.300 -0.129 0.000 1.195 232 P CA 0.099 63.109 63.100 -0.150 0.000 0.768 232 P CB 0.496 32.089 31.700 -0.178 0.000 0.838 233 L N 2.379 123.469 121.223 -0.223 0.000 2.478 233 L HA 0.103 4.443 4.340 0.001 0.000 0.223 233 L C 0.357 177.257 176.870 0.051 0.000 1.140 233 L CA 0.806 55.606 54.840 -0.067 0.000 0.842 233 L CB -0.573 41.488 42.059 0.003 0.000 0.953 233 L HN 0.427 nan 8.230 nan 0.000 0.452 234 F N -3.439 116.505 119.950 -0.009 0.000 2.672 234 F HA 0.410 4.937 4.527 0.001 0.000 0.311 234 F C 0.330 176.130 175.800 -0.001 0.000 1.113 234 F CA -1.525 56.464 58.000 -0.019 0.000 0.996 234 F CB 0.868 39.844 39.000 -0.040 0.000 1.286 234 F HN -0.199 nan 8.300 nan 0.000 0.441 235 R N 1.001 121.592 120.500 0.152 0.000 2.362 235 R HA 0.850 5.191 4.340 0.001 0.000 0.227 235 R C -0.317 176.049 176.300 0.109 0.000 0.905 235 R CA 0.201 56.346 56.100 0.075 0.000 1.067 235 R CB 0.574 30.875 30.300 0.001 0.000 1.078 235 R HN 0.973 nan 8.270 nan 0.000 0.516 236 A N -0.515 122.422 122.820 0.196 0.000 2.567 236 A HA 0.727 5.047 4.320 0.001 0.000 0.291 236 A C -1.217 176.488 177.584 0.201 0.000 1.048 236 A CA -0.461 51.676 52.037 0.168 0.000 0.661 236 A CB 1.043 19.985 19.000 -0.098 0.000 1.288 236 A HN 0.255 nan 8.150 nan 0.000 0.424 237 G N -0.350 108.592 108.800 0.237 0.000 2.667 237 G HA2 0.645 4.605 3.960 0.001 0.000 0.298 237 G HA3 0.645 4.605 3.960 0.001 0.000 0.298 237 G C -1.434 173.520 174.900 0.089 0.000 1.377 237 G CA -0.476 44.674 45.100 0.084 0.000 0.964 237 G HN 0.737 nan 8.290 nan 0.000 0.493 238 I N 1.224 121.794 120.570 -0.001 0.000 2.418 238 I HA 0.381 4.552 4.170 0.001 0.000 0.287 238 I C -0.318 175.766 176.117 -0.054 0.000 1.008 238 I CA -0.459 60.766 61.300 -0.126 0.000 1.104 238 I CB 2.194 39.989 38.000 -0.343 0.000 1.264 238 I HN 0.196 nan 8.210 nan 0.000 0.438 239 M N 6.174 125.739 119.600 -0.057 0.000 2.023 239 M HA 0.344 4.824 4.480 0.001 0.000 0.325 239 M C -0.890 175.456 176.300 0.076 0.000 0.963 239 M CA -0.372 54.904 55.300 -0.040 0.000 0.928 239 M CB 1.320 33.834 32.600 -0.143 0.000 1.429 239 M HN 0.447 nan 8.290 nan 0.000 0.404 240 Q N 2.016 121.917 119.800 0.169 0.000 2.406 240 Q HA 0.342 4.682 4.340 0.001 0.000 0.242 240 Q C -0.351 175.755 176.000 0.175 0.000 1.036 240 Q CA -0.387 55.592 55.803 0.294 0.000 0.904 240 Q CB 0.765 29.741 28.738 0.395 0.000 1.244 240 Q HN 0.781 nan 8.270 nan 0.000 0.478 241 S N 1.500 117.294 115.700 0.157 0.000 3.530 241 S HA -0.037 4.433 4.470 0.001 0.000 0.472 241 S C 0.019 174.891 174.600 0.453 0.000 0.818 241 S CA 0.349 58.699 58.200 0.250 0.000 1.367 241 S CB -1.243 62.052 63.200 0.158 0.000 0.912 241 S HN 1.121 nan 8.310 nan 0.000 0.672 242 G N -0.529 108.474 108.800 0.338 0.000 2.249 242 G HA2 0.632 4.593 3.960 0.001 0.000 0.252 242 G HA3 0.632 4.593 3.960 0.001 0.000 0.252 242 G C -0.508 174.368 174.900 -0.039 0.000 1.697 242 G CA 0.183 45.405 45.100 0.204 0.000 0.916 242 G HN 1.384 nan 8.290 nan 0.000 0.725 243 A N 1.878 124.618 122.820 -0.134 0.000 3.395 243 A HA 0.952 5.272 4.320 0.001 0.000 0.182 243 A C 0.320 177.727 177.584 -0.294 0.000 0.937 243 A CA -0.189 51.677 52.037 -0.285 0.000 1.147 243 A CB -0.144 18.688 19.000 -0.281 0.000 1.734 243 A HN 1.080 nan 8.150 nan 0.000 0.684 244 M N 0.983 120.370 119.600 -0.354 0.000 2.252 244 M HA 0.329 4.809 4.480 0.001 0.000 0.333 244 M C -0.297 175.880 176.300 -0.204 0.000 1.111 244 M CA 0.366 55.470 55.300 -0.326 0.000 1.140 244 M CB 0.418 32.680 32.600 -0.564 0.000 1.538 244 M HN 0.193 nan 8.290 nan 0.000 0.448 245 V N 4.855 124.656 119.914 -0.188 0.000 2.432 245 V HA 0.241 4.361 4.120 0.001 0.000 0.271 245 V C -1.804 174.143 176.094 -0.244 0.000 1.046 245 V CA -1.226 60.953 62.300 -0.201 0.000 0.945 245 V CB 0.647 32.312 31.823 -0.262 0.000 0.992 245 V HN 0.708 nan 8.190 nan 0.000 0.471 246 P HA 0.130 nan 4.420 nan 0.000 0.230 246 P C -0.271 176.532 177.300 -0.828 0.000 1.791 246 P CA 0.072 62.803 63.100 -0.615 0.000 1.020 246 P CB -0.089 31.520 31.700 -0.151 0.000 1.977 247 S N 0.145 115.329 115.700 -0.860 0.000 2.513 247 S HA 0.463 4.933 4.470 0.001 0.000 0.299 247 S C -0.256 174.152 174.600 -0.321 0.000 1.087 247 S CA -0.866 57.067 58.200 -0.445 0.000 1.012 247 S CB 1.373 64.412 63.200 -0.268 0.000 1.044 247 S HN -0.048 nan 8.310 nan 0.000 0.485 248 D N 1.685 122.085 120.400 0.000 0.000 2.363 248 D HA 0.463 5.103 4.640 0.001 0.000 0.240 248 D C 0.849 177.174 176.300 0.042 0.000 1.236 248 D CA 0.132 54.208 54.000 0.127 0.000 0.927 248 D CB 0.482 41.389 40.800 0.179 0.000 1.150 248 D HN 0.886 nan 8.370 nan 0.000 0.458 249 A N 0.490 123.339 122.820 0.048 0.000 2.492 249 A HA 0.001 4.321 4.320 0.001 0.000 0.236 249 A C 1.600 179.188 177.584 0.008 0.000 1.078 249 A CA -0.202 51.844 52.037 0.015 0.000 0.773 249 A CB 0.207 19.214 19.000 0.011 0.000 1.023 249 A HN 0.429 nan 8.150 nan 0.000 0.504 250 V N 0.493 120.401 119.914 -0.010 0.000 2.469 250 V HA -0.147 3.974 4.120 0.001 0.000 0.251 250 V C 1.416 177.493 176.094 -0.029 0.000 1.064 250 V CA 2.779 65.070 62.300 -0.016 0.000 1.066 250 V CB -0.714 31.096 31.823 -0.023 0.000 0.667 250 V HN 1.001 nan 8.190 nan 0.000 0.461 251 D N -0.600 119.782 120.400 -0.029 0.000 2.491 251 D HA 0.224 4.864 4.640 0.001 0.000 0.228 251 D C 0.749 177.047 176.300 -0.003 0.000 1.183 251 D CA 0.404 54.382 54.000 -0.037 0.000 0.827 251 D CB -0.298 40.473 40.800 -0.047 0.000 0.989 251 D HN 0.420 nan 8.370 nan 0.000 0.494 252 G N 0.209 109.024 108.800 0.024 0.000 2.588 252 G HA2 0.226 4.187 3.960 0.001 0.000 0.278 252 G HA3 0.226 4.187 3.960 0.001 0.000 0.278 252 G C 0.886 175.830 174.900 0.074 0.000 1.307 252 G CA -0.714 44.423 45.100 0.061 0.000 1.016 252 G HN 0.228 nan 8.290 nan 0.000 0.503 253 I N -1.329 119.303 120.570 0.104 0.000 2.226 253 I HA -0.154 4.017 4.170 0.001 0.000 0.245 253 I C 2.025 178.238 176.117 0.160 0.000 1.100 253 I CA 1.355 62.716 61.300 0.102 0.000 1.374 253 I CB 0.010 38.059 38.000 0.081 0.000 1.057 253 I HN 0.547 nan 8.210 nan 0.000 0.413 254 Y N 1.429 121.734 120.300 0.009 0.000 2.420 254 Y HA 0.108 4.658 4.550 0.001 0.000 0.292 254 Y C 2.266 178.162 175.900 -0.008 0.000 1.119 254 Y CA 0.819 58.914 58.100 -0.008 0.000 1.229 254 Y CB -0.725 37.727 38.460 -0.015 0.000 1.026 254 Y HN 0.138 nan 8.280 nan 0.000 0.554 255 G N -0.001 108.810 108.800 0.018 0.000 2.421 255 G HA2 -0.332 3.629 3.960 0.001 0.000 0.216 255 G HA3 -0.332 3.629 3.960 0.001 0.000 0.216 255 G C 1.554 176.431 174.900 -0.039 0.000 1.171 255 G CA 1.146 46.214 45.100 -0.052 0.000 0.775 255 G HN 0.417 nan 8.290 nan 0.000 0.543 256 N N 0.137 118.838 118.700 0.001 0.000 2.142 256 N HA -0.023 4.717 4.740 0.001 0.000 0.186 256 N C 2.160 177.708 175.510 0.064 0.000 1.023 256 N CA 1.141 54.214 53.050 0.040 0.000 0.852 256 N CB -0.076 38.430 38.487 0.032 0.000 0.998 256 N HN 0.426 nan 8.380 nan 0.000 0.424 257 E N 0.268 120.476 120.200 0.015 0.000 2.058 257 E HA -0.188 4.162 4.350 0.001 0.000 0.194 257 E C 1.651 178.191 176.600 -0.100 0.000 0.997 257 E CA 0.845 57.238 56.400 -0.013 0.000 0.801 257 E CB -0.013 29.715 29.700 0.047 0.000 0.746 257 E HN 0.318 nan 8.360 nan 0.000 0.450 258 I N 0.496 120.913 120.570 -0.255 0.000 2.286 258 I HA -0.229 3.941 4.170 0.001 0.000 0.248 258 I C 2.247 178.303 176.117 -0.101 0.000 1.115 258 I CA 1.082 62.210 61.300 -0.286 0.000 1.392 258 I CB -0.937 36.739 38.000 -0.540 0.000 1.065 258 I HN 0.099 nan 8.210 nan 0.000 0.418 259 F N 2.490 122.347 119.950 -0.156 0.000 2.069 259 F HA -0.268 4.259 4.527 0.000 0.000 0.298 259 F C 2.250 177.994 175.800 -0.094 0.000 1.113 259 F CA 1.917 59.847 58.000 -0.117 0.000 1.214 259 F CB -0.337 38.596 39.000 -0.112 0.000 0.978 259 F HN 0.128 nan 8.300 nan 0.000 0.474 260 D N 0.185 120.539 120.400 -0.077 0.000 2.144 260 D HA -0.153 4.488 4.640 0.001 0.000 0.200 260 D C 2.243 178.439 176.300 -0.172 0.000 0.978 260 D CA 1.205 55.119 54.000 -0.143 0.000 0.833 260 D CB -0.626 40.162 40.800 -0.020 0.000 0.961 260 D HN 0.325 nan 8.370 nan 0.000 0.470 261 L N 0.606 121.747 121.223 -0.137 0.000 2.027 261 L HA -0.084 4.257 4.340 0.001 0.000 0.206 261 L C 2.107 178.902 176.870 -0.125 0.000 1.074 261 L CA 1.275 56.045 54.840 -0.116 0.000 0.745 261 L CB -0.815 41.191 42.059 -0.089 0.000 0.898 261 L HN -0.018 nan 8.230 nan 0.000 0.433 262 L N 0.089 121.220 121.223 -0.153 0.000 2.012 262 L HA -0.145 4.195 4.340 0.001 0.000 0.210 262 L C 2.489 179.232 176.870 -0.213 0.000 1.073 262 L CA 2.241 56.990 54.840 -0.151 0.000 0.748 262 L CB -1.086 40.878 42.059 -0.159 0.000 0.891 262 L HN 0.320 nan 8.230 nan 0.000 0.431 263 A N -1.779 120.826 122.820 -0.358 0.000 1.930 263 A HA -0.144 4.176 4.320 0.001 0.000 0.217 263 A C 2.346 179.820 177.584 -0.183 0.000 1.175 263 A CA 1.732 53.570 52.037 -0.331 0.000 0.627 263 A CB -0.829 17.863 19.000 -0.515 0.000 0.815 263 A HN 0.534 nan 8.150 nan 0.000 0.443 264 S N 0.965 116.575 115.700 -0.149 0.000 2.359 264 S HA -0.185 4.285 4.470 0.001 0.000 0.224 264 S C 1.882 176.442 174.600 -0.067 0.000 1.035 264 S CA 1.505 59.650 58.200 -0.091 0.000 1.018 264 S CB -0.517 62.634 63.200 -0.082 0.000 0.876 264 S HN 0.676 nan 8.310 nan 0.000 0.448 265 N N 2.164 120.826 118.700 -0.063 0.000 2.094 265 N HA -0.056 4.685 4.740 0.001 0.000 0.191 265 N C 1.628 177.121 175.510 -0.029 0.000 1.023 265 N CA 1.439 54.470 53.050 -0.032 0.000 0.857 265 N CB -0.639 37.837 38.487 -0.017 0.000 1.013 265 N HN 0.467 nan 8.380 nan 0.000 0.426 266 A N -0.598 122.195 122.820 -0.046 0.000 2.167 266 A HA 0.352 4.672 4.320 0.001 0.000 0.214 266 A C 1.456 179.027 177.584 -0.021 0.000 1.151 266 A CA 1.144 53.164 52.037 -0.028 0.000 0.735 266 A CB -0.330 18.648 19.000 -0.037 0.000 0.802 266 A HN 0.396 nan 8.150 nan 0.000 0.467 267 G N -3.060 105.721 108.800 -0.033 0.000 2.134 267 G HA2 -0.216 3.745 3.960 0.001 0.000 0.209 267 G HA3 -0.216 3.745 3.960 0.001 0.000 0.209 267 G C 0.393 175.276 174.900 -0.028 0.000 0.993 267 G CA 0.077 45.162 45.100 -0.024 0.000 0.669 267 G HN 0.597 nan 8.290 nan 0.000 0.519 268 c N 0.918 119.488 118.600 -0.049 0.000 2.884 268 c HA 0.512 5.082 4.570 0.001 0.000 0.287 268 c C 2.625 176.679 174.090 -0.059 0.000 1.310 268 c CA 0.503 56.803 56.329 -0.049 0.000 1.725 268 c CB -0.645 41.825 42.510 -0.067 0.000 2.060 268 c HN 0.788 nan 8.230 nan 0.000 0.618 269 G N 1.480 110.244 108.800 -0.060 0.000 2.470 269 G HA2 -0.169 3.791 3.960 0.001 0.000 0.220 269 G HA3 -0.169 3.791 3.960 0.001 0.000 0.220 269 G C 1.493 176.375 174.900 -0.030 0.000 1.121 269 G CA 1.510 46.577 45.100 -0.056 0.000 0.766 269 G HN 0.661 nan 8.290 nan 0.000 0.553 270 S N -0.644 115.044 115.700 -0.020 0.000 2.575 270 S HA 0.682 5.153 4.470 0.001 0.000 0.237 270 S C 0.828 175.429 174.600 0.000 0.000 0.975 270 S CA 0.191 58.387 58.200 -0.008 0.000 0.960 270 S CB 0.491 63.687 63.200 -0.007 0.000 0.822 270 S HN 0.500 nan 8.310 nan 0.000 0.472 271 A N 1.844 124.665 122.820 0.001 0.000 2.354 271 A HA 0.617 4.937 4.320 0.001 0.000 0.269 271 A C 1.405 179.003 177.584 0.024 0.000 1.109 271 A CA -0.047 51.998 52.037 0.014 0.000 0.800 271 A CB 0.480 19.491 19.000 0.018 0.000 1.045 271 A HN 0.561 nan 8.150 nan 0.000 0.489 272 S N 0.786 116.502 115.700 0.027 0.000 2.371 272 S HA -0.071 4.399 4.470 0.001 0.000 0.224 272 S C 0.457 175.084 174.600 0.044 0.000 1.029 272 S CA 1.289 59.507 58.200 0.030 0.000 0.978 272 S CB -0.137 63.078 63.200 0.024 0.000 0.833 272 S HN 0.740 nan 8.310 nan 0.000 0.466 273 D N 0.804 121.234 120.400 0.050 0.000 2.464 273 D HA 0.380 5.020 4.640 0.001 0.000 0.243 273 D C 0.428 176.780 176.300 0.087 0.000 1.104 273 D CA -0.405 53.636 54.000 0.069 0.000 0.883 273 D CB 1.156 41.992 40.800 0.060 0.000 1.050 273 D HN 0.106 nan 8.370 nan 0.000 0.524 274 K N 2.081 122.554 120.400 0.122 0.000 2.097 274 K HA -0.110 4.211 4.320 0.001 0.000 0.205 274 K C 1.661 178.361 176.600 0.167 0.000 1.050 274 K CA 0.570 56.927 56.287 0.117 0.000 0.938 274 K CB 0.195 32.779 32.500 0.140 0.000 0.718 274 K HN 0.279 nan 8.250 nan 0.000 0.442 275 L N 1.009 122.388 121.223 0.259 0.000 2.046 275 L HA -0.101 4.239 4.340 0.001 0.000 0.208 275 L C 2.148 179.142 176.870 0.207 0.000 1.077 275 L CA 1.725 56.725 54.840 0.265 0.000 0.747 275 L CB -0.706 41.467 42.059 0.190 0.000 0.896 275 L HN 0.100 nan 8.230 nan 0.000 0.432 276 A N -1.787 121.119 122.820 0.144 0.000 1.969 276 A HA -0.247 4.074 4.320 0.001 0.000 0.218 276 A C 2.530 180.174 177.584 0.100 0.000 1.169 276 A CA 1.497 53.602 52.037 0.114 0.000 0.635 276 A CB -1.478 17.570 19.000 0.080 0.000 0.810 276 A HN 0.648 nan 8.150 nan 0.000 0.445 277 c N -0.545 118.108 118.600 0.087 0.000 2.453 277 c HA -0.013 4.557 4.570 0.001 0.000 0.277 277 c C 2.579 176.714 174.090 0.075 0.000 1.262 277 c CA 1.184 57.549 56.329 0.061 0.000 1.718 277 c CB -1.494 41.035 42.510 0.033 0.000 2.031 277 c HN 0.589 nan 8.230 nan 0.000 0.480 278 L N 0.262 121.551 121.223 0.110 0.000 2.141 278 L HA -0.067 4.273 4.340 0.001 0.000 0.209 278 L C 2.890 179.890 176.870 0.217 0.000 1.094 278 L CA 1.351 56.290 54.840 0.166 0.000 0.763 278 L CB -0.632 41.561 42.059 0.223 0.000 0.908 278 L HN 0.311 nan 8.230 nan 0.000 0.437 279 R N -0.259 120.365 120.500 0.206 0.000 2.237 279 R HA -0.077 4.263 4.340 0.001 0.000 0.219 279 R C 2.148 178.480 176.300 0.054 0.000 1.080 279 R CA 0.966 57.125 56.100 0.098 0.000 0.995 279 R CB -0.318 30.038 30.300 0.094 0.000 0.875 279 R HN 0.413 nan 8.270 nan 0.000 0.462 280 G N 0.555 109.392 108.800 0.062 0.000 2.662 280 G HA2 0.006 3.967 3.960 0.001 0.000 0.212 280 G HA3 0.006 3.967 3.960 0.001 0.000 0.212 280 G C 0.647 175.571 174.900 0.040 0.000 1.141 280 G CA 0.162 45.288 45.100 0.043 0.000 0.797 280 G HN 0.177 nan 8.290 nan 0.000 0.531 281 V N 0.756 120.698 119.914 0.047 0.000 3.096 281 V HA 0.531 4.651 4.120 0.001 0.000 0.306 281 V C 0.731 176.853 176.094 0.047 0.000 1.088 281 V CA -0.669 61.657 62.300 0.043 0.000 1.129 281 V CB 0.875 32.724 31.823 0.043 0.000 1.014 281 V HN 0.354 nan 8.190 nan 0.000 0.486 282 S N 2.719 118.446 115.700 0.046 0.000 2.596 282 S HA 0.138 4.609 4.470 0.001 0.000 0.260 282 S C 1.206 175.853 174.600 0.078 0.000 1.336 282 S CA 0.297 58.528 58.200 0.052 0.000 0.993 282 S CB 0.740 63.967 63.200 0.044 0.000 0.923 282 S HN 1.003 nan 8.310 nan 0.000 0.567 283 S N 1.114 116.866 115.700 0.086 0.000 2.368 283 S HA -0.134 4.336 4.470 0.001 0.000 0.225 283 S C 1.296 175.981 174.600 0.142 0.000 1.030 283 S CA 1.818 60.096 58.200 0.130 0.000 0.999 283 S CB -0.831 62.424 63.200 0.091 0.000 0.844 283 S HN 0.846 nan 8.310 nan 0.000 0.459 284 D N 0.962 121.420 120.400 0.096 0.000 2.097 284 D HA -0.065 4.575 4.640 0.001 0.000 0.195 284 D C 2.077 178.432 176.300 0.091 0.000 0.989 284 D CA 1.559 55.613 54.000 0.089 0.000 0.827 284 D CB -0.388 40.448 40.800 0.060 0.000 0.966 284 D HN 0.271 nan 8.370 nan 0.000 0.456 285 T N 0.662 115.260 114.554 0.073 0.000 2.720 285 T HA -0.149 4.201 4.350 0.001 0.000 0.268 285 T C 1.792 176.531 174.700 0.066 0.000 1.037 285 T CA 0.611 62.746 62.100 0.059 0.000 1.144 285 T CB -0.286 68.609 68.868 0.044 0.000 0.864 285 T HN 0.025 nan 8.240 nan 0.000 0.444 286 L N 1.127 122.405 121.223 0.091 0.000 2.109 286 L HA 0.079 4.420 4.340 0.001 0.000 0.207 286 L C 2.441 179.364 176.870 0.090 0.000 1.086 286 L CA 1.746 56.624 54.840 0.064 0.000 0.760 286 L CB -0.573 41.543 42.059 0.095 0.000 0.910 286 L HN 0.262 nan 8.230 nan 0.000 0.437 287 E N -0.603 119.745 120.200 0.246 0.000 2.051 287 E HA -0.278 4.073 4.350 0.001 0.000 0.192 287 E C 1.706 178.414 176.600 0.180 0.000 0.991 287 E CA 1.763 58.364 56.400 0.336 0.000 0.799 287 E CB -0.088 29.791 29.700 0.300 0.000 0.748 287 E HN 0.603 nan 8.360 nan 0.000 0.449 288 D N -0.251 120.220 120.400 0.118 0.000 2.092 288 D HA -0.157 4.483 4.640 0.001 0.000 0.193 288 D C 1.887 178.224 176.300 0.060 0.000 0.994 288 D CA 1.874 55.921 54.000 0.078 0.000 0.828 288 D CB -0.143 40.693 40.800 0.060 0.000 0.963 288 D HN 0.329 nan 8.370 nan 0.000 0.450 289 A N -0.316 122.527 122.820 0.038 0.000 1.940 289 A HA -0.212 4.109 4.320 0.001 0.000 0.219 289 A C 2.290 179.887 177.584 0.023 0.000 1.176 289 A CA 2.166 54.213 52.037 0.016 0.000 0.631 289 A CB -0.979 18.010 19.000 -0.018 0.000 0.814 289 A HN 0.244 nan 8.150 nan 0.000 0.446 290 T N 0.553 115.107 114.554 0.000 0.000 2.857 290 T HA -0.084 4.266 4.350 0.001 0.000 0.266 290 T C 1.599 176.369 174.700 0.117 0.000 1.048 290 T CA 1.277 63.385 62.100 0.014 0.000 1.139 290 T CB -0.357 68.407 68.868 -0.174 0.000 0.874 290 T HN 0.488 nan 8.240 nan 0.000 0.455 291 N N 1.926 120.695 118.700 0.114 0.000 2.520 291 N HA 0.007 4.748 4.740 0.001 0.000 0.185 291 N C 0.973 176.536 175.510 0.088 0.000 1.068 291 N CA 0.437 53.552 53.050 0.109 0.000 0.911 291 N CB -0.212 38.330 38.487 0.091 0.000 0.961 291 N HN 0.325 nan 8.380 nan 0.000 0.446 292 N N 0.269 119.024 118.700 0.091 0.000 2.276 292 N HA 0.009 4.749 4.740 0.001 0.000 0.212 292 N C 0.027 175.628 175.510 0.150 0.000 1.127 292 N CA 0.151 53.262 53.050 0.102 0.000 0.834 292 N CB 0.610 39.152 38.487 0.092 0.000 1.014 292 N HN 0.281 nan 8.380 nan 0.000 0.491 293 T N -2.254 112.392 114.554 0.152 0.000 2.932 293 T HA 0.535 4.885 4.350 0.001 0.000 0.289 293 T C -3.060 171.727 174.700 0.145 0.000 1.039 293 T CA -2.376 59.830 62.100 0.176 0.000 1.024 293 T CB 2.422 71.378 68.868 0.147 0.000 1.090 293 T HN -0.250 nan 8.240 nan 0.000 0.496 294 P HA 0.319 nan 4.420 nan 0.000 0.267 294 P C 0.293 177.681 177.300 0.147 0.000 1.205 294 P CA 0.139 63.297 63.100 0.097 0.000 0.765 294 P CB 0.253 32.029 31.700 0.126 0.000 0.828 295 G N 1.975 110.844 108.800 0.116 0.000 2.502 295 G HA2 0.339 4.299 3.960 0.001 0.000 0.305 295 G HA3 0.339 4.299 3.960 0.001 0.000 0.305 295 G C 0.361 175.333 174.900 0.120 0.000 1.190 295 G CA -0.768 44.408 45.100 0.127 0.000 0.933 295 G HN 0.511 nan 8.290 nan 0.000 0.503 296 F N -1.213 118.869 119.950 0.219 0.000 2.546 296 F HA 0.176 4.704 4.527 0.000 0.000 0.298 296 F C 1.550 177.508 175.800 0.264 0.000 1.120 296 F CA 0.483 58.633 58.000 0.248 0.000 1.456 296 F CB -0.222 38.958 39.000 0.300 0.000 1.088 296 F HN 0.158 nan 8.300 nan 0.000 0.572 297 L N 0.136 121.280 121.223 -0.131 0.000 2.585 297 L HA 0.414 4.754 4.340 0.001 0.000 0.226 297 L C 1.664 178.564 176.870 0.049 0.000 1.113 297 L CA -0.113 54.718 54.840 -0.016 0.000 0.876 297 L CB -0.494 41.457 42.059 -0.181 0.000 1.072 297 L HN 0.242 nan 8.230 nan 0.000 0.468 298 A N -0.832 122.016 122.820 0.047 0.000 2.310 298 A HA -0.049 4.271 4.320 0.001 0.000 0.260 298 A C 0.828 178.520 177.584 0.179 0.000 1.112 298 A CA -0.076 52.010 52.037 0.083 0.000 0.804 298 A CB -0.081 18.949 19.000 0.049 0.000 1.081 298 A HN 0.274 nan 8.150 nan 0.000 0.499 299 Y N 0.786 121.116 120.300 0.049 0.000 2.228 299 Y HA -0.246 4.304 4.550 0.000 0.000 0.285 299 Y C 2.496 178.519 175.900 0.205 0.000 1.178 299 Y CA 2.531 60.693 58.100 0.104 0.000 1.202 299 Y CB -0.242 38.255 38.460 0.061 0.000 0.974 299 Y HN 0.527 nan 8.280 nan 0.000 0.527 300 S N -0.883 114.937 115.700 0.201 0.000 2.423 300 S HA -0.159 4.311 4.470 0.001 0.000 0.231 300 S C 1.445 176.088 174.600 0.071 0.000 1.014 300 S CA 0.806 59.058 58.200 0.088 0.000 0.965 300 S CB -0.565 62.720 63.200 0.141 0.000 0.785 300 S HN 0.653 nan 8.310 nan 0.000 0.495 301 S N 0.376 116.176 115.700 0.168 0.000 4.138 301 S HA -0.289 4.181 4.470 0.001 0.000 0.574 301 S C 0.904 175.621 174.600 0.195 0.000 1.895 301 S CA 1.395 59.741 58.200 0.243 0.000 4.239 301 S CB -1.521 61.829 63.200 0.251 0.000 0.264 301 S HN 0.338 nan 8.310 nan 0.000 0.489 302 L N 2.436 123.718 121.223 0.099 0.000 2.456 302 L HA 0.199 4.540 4.340 0.001 0.000 0.224 302 L C 1.854 178.739 176.870 0.024 0.000 1.148 302 L CA 1.474 56.321 54.840 0.010 0.000 0.825 302 L CB -0.529 41.497 42.059 -0.056 0.000 0.937 302 L HN 0.438 nan 8.230 nan 0.000 0.450 303 R N 0.743 121.244 120.500 0.002 0.000 3.710 303 R HA 0.141 4.481 4.340 0.001 0.000 0.201 303 R C -0.511 175.875 176.300 0.143 0.000 1.641 303 R CA -0.234 55.859 56.100 -0.011 0.000 1.390 303 R CB -0.569 29.617 30.300 -0.189 0.000 1.341 303 R HN 0.209 nan 8.270 nan 0.000 0.728 304 L N 1.564 122.878 121.223 0.152 0.000 2.485 304 L HA -0.004 4.336 4.340 0.001 0.000 0.275 304 L C 1.475 178.428 176.870 0.139 0.000 1.207 304 L CA -0.012 54.936 54.840 0.179 0.000 0.855 304 L CB 1.325 43.479 42.059 0.160 0.000 1.114 304 L HN 0.503 nan 8.230 nan 0.000 0.485 305 S N 1.086 116.785 115.700 -0.002 0.000 2.406 305 S HA -0.007 4.464 4.470 0.001 0.000 0.228 305 S C -0.371 173.834 174.600 -0.658 0.000 1.020 305 S CA 0.959 58.886 58.200 -0.455 0.000 0.965 305 S CB -0.025 62.761 63.200 -0.691 0.000 0.798 305 S HN 0.395 nan 8.310 nan 0.000 0.488 306 Y N 1.031 121.408 120.300 0.129 0.000 2.354 306 Y HA 0.684 5.234 4.550 0.000 0.000 0.330 306 Y C -0.417 175.473 175.900 -0.017 0.000 1.011 306 Y CA -1.343 56.842 58.100 0.142 0.000 1.099 306 Y CB 1.238 39.870 38.460 0.287 0.000 1.179 306 Y HN 0.027 nan 8.280 nan 0.000 0.442 307 L N 0.464 121.595 121.223 -0.153 0.000 2.794 307 L HA 0.756 5.097 4.340 0.001 0.000 0.261 307 L C -3.319 173.091 176.870 -0.765 0.000 0.989 307 L CA -2.591 51.784 54.840 -0.775 0.000 0.900 307 L CB 2.310 44.095 42.059 -0.457 0.000 1.473 307 L HN 0.147 nan 8.230 nan 0.000 0.414 308 P HA 0.177 nan 4.420 nan 0.000 0.261 308 P C -1.256 175.904 177.300 -0.234 0.000 1.183 308 P CA 0.404 63.242 63.100 -0.436 0.000 0.761 308 P CB 0.328 31.745 31.700 -0.472 0.000 0.785 309 R N 4.773 125.225 120.500 -0.080 0.000 2.686 309 R HA 0.425 4.765 4.340 0.001 0.000 0.286 309 R C -2.587 173.684 176.300 -0.050 0.000 0.969 309 R CA -2.441 53.614 56.100 -0.075 0.000 0.898 309 R CB 1.452 31.733 30.300 -0.033 0.000 1.183 309 R HN 0.252 nan 8.270 nan 0.000 0.456 310 P HA -0.070 nan 4.420 nan 0.000 0.262 310 P C -0.342 176.932 177.300 -0.044 0.000 1.182 310 P CA 0.451 63.524 63.100 -0.046 0.000 0.761 310 P CB 0.504 32.190 31.700 -0.024 0.000 0.795 311 D N 1.449 121.809 120.400 -0.067 0.000 2.469 311 D HA 0.129 4.770 4.640 0.001 0.000 0.213 311 D C 1.417 177.674 176.300 -0.071 0.000 1.135 311 D CA 0.314 54.276 54.000 -0.064 0.000 0.834 311 D CB -0.420 40.337 40.800 -0.072 0.000 1.009 311 D HN 0.516 nan 8.370 nan 0.000 0.507 312 G N 0.151 108.905 108.800 -0.077 0.000 2.212 312 G HA2 -0.341 3.619 3.960 0.001 0.000 0.266 312 G HA3 -0.341 3.619 3.960 0.001 0.000 0.266 312 G C 0.856 175.700 174.900 -0.093 0.000 0.978 312 G CA 0.969 46.027 45.100 -0.070 0.000 0.632 312 G HN 0.751 nan 8.290 nan 0.000 0.537 313 V N -0.798 119.038 119.914 -0.130 0.000 2.950 313 V HA 0.344 4.464 4.120 0.001 0.000 0.231 313 V C 1.766 177.707 176.094 -0.255 0.000 1.205 313 V CA 1.967 64.178 62.300 -0.149 0.000 1.239 313 V CB -0.055 31.702 31.823 -0.110 0.000 1.050 313 V HN 0.282 nan 8.190 nan 0.000 0.498 314 N N -0.053 118.402 118.700 -0.408 0.000 2.415 314 N HA 0.383 5.124 4.740 0.001 0.000 0.174 314 N C 0.144 175.179 175.510 -0.793 0.000 1.048 314 N CA 0.581 53.141 53.050 -0.817 0.000 0.895 314 N CB 0.627 38.319 38.487 -1.325 0.000 1.036 314 N HN 0.419 nan 8.380 nan 0.000 0.449 315 I N 1.171 121.464 120.570 -0.461 0.000 2.437 315 I HA 0.115 4.285 4.170 0.001 0.000 0.279 315 I C 0.758 176.786 176.117 -0.148 0.000 1.028 315 I CA -0.289 60.873 61.300 -0.230 0.000 1.142 315 I CB 1.566 39.489 38.000 -0.130 0.000 1.266 315 I HN 0.123 nan 8.210 nan 0.000 0.461 316 T N -0.062 114.426 114.554 -0.111 0.000 3.055 316 T HA 0.040 4.391 4.350 0.001 0.000 0.265 316 T C 0.406 175.083 174.700 -0.039 0.000 1.111 316 T CA 0.687 62.741 62.100 -0.078 0.000 1.118 316 T CB 0.173 69.002 68.868 -0.066 0.000 0.909 316 T HN 0.517 nan 8.240 nan 0.000 0.501 317 D N 0.025 120.416 120.400 -0.016 0.000 2.665 317 D HA 0.244 4.885 4.640 0.001 0.000 0.287 317 D C -1.701 174.625 176.300 0.044 0.000 1.266 317 D CA -0.796 53.213 54.000 0.016 0.000 0.830 317 D CB 1.518 42.332 40.800 0.025 0.000 1.356 317 D HN 0.004 nan 8.370 nan 0.000 0.437 318 D N 1.124 121.581 120.400 0.094 0.000 2.877 318 D HA -0.142 4.499 4.640 0.001 0.000 0.220 318 D C 1.240 177.641 176.300 0.167 0.000 1.089 318 D CA 0.724 54.836 54.000 0.188 0.000 0.811 318 D CB 0.529 41.489 40.800 0.267 0.000 1.162 318 D HN 0.403 nan 8.370 nan 0.000 0.513 319 M N 3.403 123.077 119.600 0.124 0.000 2.279 319 M HA -0.200 4.280 4.480 0.001 0.000 0.264 319 M C 1.160 177.522 176.300 0.103 0.000 1.062 319 M CA 0.995 56.338 55.300 0.071 0.000 1.099 319 M CB -0.169 32.406 32.600 -0.041 0.000 1.394 319 M HN 0.525 nan 8.290 nan 0.000 0.426 320 Y N 0.002 120.358 120.300 0.094 0.000 2.263 320 Y HA -0.056 4.495 4.550 0.000 0.000 0.292 320 Y C 2.618 178.599 175.900 0.135 0.000 1.130 320 Y CA 1.345 59.500 58.100 0.091 0.000 1.179 320 Y CB -0.668 37.785 38.460 -0.011 0.000 0.998 320 Y HN 0.205 nan 8.280 nan 0.000 0.532 321 A N -0.251 122.726 122.820 0.261 0.000 1.968 321 A HA -0.072 4.248 4.320 0.001 0.000 0.217 321 A C 2.169 179.834 177.584 0.135 0.000 1.169 321 A CA 1.032 53.168 52.037 0.165 0.000 0.638 321 A CB -0.929 18.143 19.000 0.120 0.000 0.812 321 A HN 0.445 nan 8.150 nan 0.000 0.446 322 L N -0.486 120.818 121.223 0.135 0.000 2.083 322 L HA -0.159 4.181 4.340 0.001 0.000 0.209 322 L C 2.466 179.452 176.870 0.194 0.000 1.083 322 L CA 1.045 55.959 54.840 0.124 0.000 0.752 322 L CB -0.588 41.543 42.059 0.120 0.000 0.899 322 L HN 0.246 nan 8.230 nan 0.000 0.433 323 V N -0.285 119.791 119.914 0.270 0.000 2.379 323 V HA -0.220 3.900 4.120 0.001 0.000 0.245 323 V C 2.584 178.874 176.094 0.328 0.000 1.044 323 V CA 1.536 64.094 62.300 0.430 0.000 1.036 323 V CB -0.588 31.452 31.823 0.361 0.000 0.664 323 V HN 0.400 nan 8.190 nan 0.000 0.453 324 R N 0.154 120.752 120.500 0.163 0.000 2.105 324 R HA -0.173 4.168 4.340 0.001 0.000 0.239 324 R C 2.003 178.368 176.300 0.108 0.000 1.135 324 R CA 1.609 57.768 56.100 0.098 0.000 0.967 324 R CB -0.250 30.079 30.300 0.049 0.000 0.861 324 R HN 0.599 nan 8.270 nan 0.000 0.442 325 E N -0.635 119.608 120.200 0.072 0.000 2.502 325 E HA 0.043 4.393 4.350 0.001 0.000 0.194 325 E C 0.701 177.243 176.600 -0.097 0.000 1.062 325 E CA 0.301 56.704 56.400 0.005 0.000 0.867 325 E CB 0.487 30.191 29.700 0.007 0.000 0.888 325 E HN 0.535 nan 8.360 nan 0.000 0.510 326 G N 2.133 110.812 108.800 -0.201 0.000 2.148 326 G HA2 -0.344 3.616 3.960 0.001 0.000 0.254 326 G HA3 -0.344 3.616 3.960 0.001 0.000 0.254 326 G C 0.189 174.591 174.900 -0.831 0.000 0.981 326 G CA 0.134 44.812 45.100 -0.704 0.000 0.670 326 G HN 0.194 nan 8.290 nan 0.000 0.528 327 K N 0.536 120.700 120.400 -0.393 0.000 2.307 327 K HA 0.502 4.822 4.320 0.001 0.000 0.240 327 K C -0.336 176.273 176.600 0.014 0.000 1.214 327 K CA -0.328 55.859 56.287 -0.166 0.000 1.149 327 K CB -0.092 32.385 32.500 -0.039 0.000 1.668 327 K HN 0.617 nan 8.250 nan 0.000 0.314 328 Y N -2.172 118.221 120.300 0.155 0.000 2.609 328 Y HA 0.583 5.133 4.550 0.001 0.000 0.336 328 Y C -0.632 175.397 175.900 0.215 0.000 1.129 328 Y CA -2.187 56.052 58.100 0.232 0.000 1.040 328 Y CB 0.409 39.093 38.460 0.374 0.000 1.310 328 Y HN 0.090 nan 8.280 nan 0.000 0.460 329 A N 1.471 124.581 122.820 0.483 0.000 2.462 329 A HA 0.341 4.661 4.320 0.001 0.000 0.243 329 A C -0.557 177.290 177.584 0.438 0.000 1.076 329 A CA -0.567 51.679 52.037 0.350 0.000 0.773 329 A CB -0.424 18.743 19.000 0.279 0.000 1.010 329 A HN 0.826 nan 8.150 nan 0.000 0.493 330 N N 1.053 119.926 118.700 0.289 0.000 2.558 330 N HA 0.491 5.232 4.740 0.001 0.000 0.233 330 N C -0.594 175.050 175.510 0.223 0.000 1.038 330 N CA -0.110 53.088 53.050 0.247 0.000 0.934 330 N CB 0.504 39.071 38.487 0.133 0.000 1.175 330 N HN 0.683 nan 8.380 nan 0.000 0.512 331 I N -1.649 119.117 120.570 0.327 0.000 2.969 331 I HA 0.671 4.841 4.170 0.001 0.000 0.307 331 I C -2.714 173.594 176.117 0.318 0.000 1.149 331 I CA -2.896 58.569 61.300 0.274 0.000 1.008 331 I CB 2.523 40.703 38.000 0.300 0.000 1.232 331 I HN 0.128 nan 8.210 nan 0.000 0.435 332 P HA 0.151 nan 4.420 nan 0.000 0.268 332 P C -0.684 176.919 177.300 0.506 0.000 1.204 332 P CA 0.086 63.410 63.100 0.374 0.000 0.768 332 P CB 1.443 33.345 31.700 0.337 0.000 0.842 333 V N 1.398 121.546 119.914 0.390 0.000 3.007 333 V HA 0.635 4.755 4.120 0.001 0.000 0.311 333 V C -0.531 175.523 176.094 -0.066 0.000 1.120 333 V CA -1.100 61.311 62.300 0.184 0.000 0.980 333 V CB 2.272 34.122 31.823 0.046 0.000 1.033 333 V HN 0.339 nan 8.190 nan 0.000 0.429 334 I N 3.936 124.345 120.570 -0.268 0.000 2.433 334 I HA 0.645 4.816 4.170 0.001 0.000 0.292 334 I C -0.814 175.273 176.117 -0.051 0.000 1.001 334 I CA -0.614 60.544 61.300 -0.237 0.000 1.119 334 I CB 1.987 39.702 38.000 -0.475 0.000 1.289 334 I HN 0.749 nan 8.210 nan 0.000 0.438 335 I N 4.777 125.365 120.570 0.030 0.000 2.607 335 I HA 0.789 4.959 4.170 0.001 0.000 0.290 335 I C -0.673 175.334 176.117 -0.184 0.000 1.129 335 I CA 0.027 61.300 61.300 -0.045 0.000 1.042 335 I CB 1.917 39.875 38.000 -0.070 0.000 1.242 335 I HN 0.664 nan 8.210 nan 0.000 0.421 336 G N 4.954 113.472 108.800 -0.471 0.000 2.727 336 G HA2 0.556 4.517 3.960 0.001 0.000 0.289 336 G HA3 0.556 4.517 3.960 0.001 0.000 0.289 336 G C -2.093 172.452 174.900 -0.591 0.000 1.418 336 G CA -0.411 44.003 45.100 -1.143 0.000 0.818 336 G HN 0.518 nan 8.290 nan 0.000 0.486 337 D N -0.804 119.343 120.400 -0.421 0.000 2.570 337 D HA 0.383 5.024 4.640 0.001 0.000 0.244 337 D C -0.801 175.583 176.300 0.139 0.000 1.178 337 D CA -0.402 53.595 54.000 -0.005 0.000 0.881 337 D CB 2.436 43.305 40.800 0.114 0.000 1.453 337 D HN 0.095 nan 8.370 nan 0.000 0.447 338 Q N 0.924 120.832 119.800 0.181 0.000 2.222 338 Q HA 0.228 4.568 4.340 0.001 0.000 0.252 338 Q C 0.773 176.885 176.000 0.187 0.000 0.926 338 Q CA -0.233 55.684 55.803 0.189 0.000 0.899 338 Q CB 1.460 30.277 28.738 0.132 0.000 1.250 338 Q HN 0.528 nan 8.270 nan 0.000 0.441 339 N N 1.229 120.032 118.700 0.173 0.000 2.149 339 N HA -0.149 4.591 4.740 0.001 0.000 0.188 339 N C -0.615 175.082 175.510 0.311 0.000 1.019 339 N CA 0.875 54.041 53.050 0.193 0.000 0.857 339 N CB 0.456 39.039 38.487 0.162 0.000 0.997 339 N HN 0.444 nan 8.380 nan 0.000 0.426 340 D N 0.621 121.166 120.400 0.242 0.000 2.634 340 D HA 0.077 4.717 4.640 0.001 0.000 0.318 340 D C 0.264 176.685 176.300 0.202 0.000 1.226 340 D CA -0.179 53.934 54.000 0.188 0.000 0.899 340 D CB 0.933 41.780 40.800 0.079 0.000 1.025 340 D HN 0.186 nan 8.370 nan 0.000 0.501 341 E N 0.399 120.747 120.200 0.247 0.000 2.153 341 E HA -0.100 4.251 4.350 0.001 0.000 0.194 341 E C 1.906 178.689 176.600 0.305 0.000 0.988 341 E CA 0.635 57.170 56.400 0.225 0.000 0.811 341 E CB 0.169 29.951 29.700 0.137 0.000 0.746 341 E HN 0.407 nan 8.360 nan 0.000 0.466 342 G N 1.077 110.061 108.800 0.307 0.000 2.939 342 G HA2 -0.122 3.838 3.960 0.001 0.000 0.210 342 G HA3 -0.122 3.838 3.960 0.001 0.000 0.210 342 G C 1.636 176.680 174.900 0.240 0.000 1.160 342 G CA 0.881 46.218 45.100 0.396 0.000 0.770 342 G HN 0.337 nan 8.290 nan 0.000 0.543 343 T N -0.919 113.674 114.554 0.064 0.000 2.759 343 T HA -0.173 4.178 4.350 0.001 0.000 0.269 343 T C 2.011 176.726 174.700 0.024 0.000 1.042 343 T CA 0.848 62.931 62.100 -0.029 0.000 1.140 343 T CB -0.446 68.388 68.868 -0.056 0.000 0.864 343 T HN 0.026 nan 8.240 nan 0.000 0.455 344 F N 1.721 121.681 119.950 0.016 0.000 2.091 344 F HA 0.060 4.587 4.527 0.001 0.000 0.299 344 F C 1.987 177.682 175.800 -0.174 0.000 1.103 344 F CA 0.794 58.684 58.000 -0.184 0.000 1.228 344 F CB -0.830 37.865 39.000 -0.509 0.000 0.984 344 F HN 0.151 nan 8.300 nan 0.000 0.477 345 F N -0.729 119.460 119.950 0.398 0.000 2.293 345 F HA 0.083 4.610 4.527 0.000 0.000 0.297 345 F C 2.597 178.548 175.800 0.252 0.000 1.089 345 F CA 0.905 59.096 58.000 0.318 0.000 1.377 345 F CB -1.489 37.681 39.000 0.285 0.000 1.051 345 F HN -0.063 nan 8.300 nan 0.000 0.511 346 G N -0.166 108.850 108.800 0.361 0.000 2.470 346 G HA2 -0.252 3.708 3.960 0.001 0.000 0.220 346 G HA3 -0.252 3.708 3.960 0.001 0.000 0.220 346 G C 1.686 176.813 174.900 0.378 0.000 1.121 346 G CA 1.409 46.687 45.100 0.296 0.000 0.766 346 G HN 0.414 nan 8.290 nan 0.000 0.553 347 T N -1.486 113.276 114.554 0.346 0.000 2.977 347 T HA -0.037 4.313 4.350 0.001 0.000 0.271 347 T C 2.272 177.047 174.700 0.126 0.000 1.105 347 T CA 1.526 63.731 62.100 0.175 0.000 1.116 347 T CB -0.206 68.722 68.868 0.100 0.000 0.878 347 T HN 0.136 nan 8.240 nan 0.000 0.509 348 S N 1.692 117.489 115.700 0.162 0.000 2.522 348 S HA 0.073 4.543 4.470 0.001 0.000 0.227 348 S C 1.563 176.215 174.600 0.086 0.000 0.986 348 S CA 0.579 58.860 58.200 0.135 0.000 0.929 348 S CB -0.090 63.220 63.200 0.183 0.000 0.769 348 S HN 0.817 nan 8.310 nan 0.000 0.529 349 S N 0.398 116.087 115.700 -0.018 0.000 2.809 349 S HA 0.378 4.848 4.470 0.001 0.000 0.248 349 S C 0.623 175.180 174.600 -0.072 0.000 1.071 349 S CA -0.422 57.676 58.200 -0.170 0.000 1.059 349 S CB -0.490 62.253 63.200 -0.761 0.000 0.923 349 S HN 0.284 nan 8.310 nan 0.000 0.516 350 L N 2.080 123.303 121.223 0.001 0.000 2.675 350 L HA 0.048 4.388 4.340 0.001 0.000 0.238 350 L C 1.813 178.668 176.870 -0.024 0.000 1.155 350 L CA 0.303 55.134 54.840 -0.015 0.000 0.881 350 L CB -0.559 41.468 42.059 -0.053 0.000 1.008 350 L HN 0.542 nan 8.230 nan 0.000 0.443 351 N N -0.960 117.732 118.700 -0.013 0.000 2.280 351 N HA -0.012 4.729 4.740 0.001 0.000 0.192 351 N C 0.121 175.617 175.510 -0.023 0.000 1.109 351 N CA -0.007 53.030 53.050 -0.022 0.000 0.855 351 N CB 0.186 38.652 38.487 -0.035 0.000 0.974 351 N HN 0.023 nan 8.380 nan 0.000 0.482 352 V N 1.950 121.838 119.914 -0.043 0.000 2.348 352 V HA 0.259 4.379 4.120 0.001 0.000 0.270 352 V C 1.058 177.128 176.094 -0.041 0.000 1.037 352 V CA 0.106 62.366 62.300 -0.066 0.000 0.872 352 V CB 0.952 32.665 31.823 -0.183 0.000 1.002 352 V HN 0.511 nan 8.190 nan 0.000 0.464 353 T N -0.410 114.131 114.554 -0.021 0.000 2.966 353 T HA 0.131 4.481 4.350 0.001 0.000 0.254 353 T C 0.716 175.419 174.700 0.005 0.000 0.961 353 T CA 0.512 62.610 62.100 -0.004 0.000 0.915 353 T CB 0.515 69.381 68.868 -0.004 0.000 1.186 353 T HN 0.662 nan 8.240 nan 0.000 0.505 354 T N -0.389 114.166 114.554 0.001 0.000 2.952 354 T HA 0.461 4.812 4.350 0.001 0.000 0.286 354 T C 0.230 174.938 174.700 0.014 0.000 1.024 354 T CA -0.586 61.521 62.100 0.012 0.000 1.029 354 T CB 1.681 70.557 68.868 0.012 0.000 1.094 354 T HN -0.189 nan 8.240 nan 0.000 0.515 355 D N 0.809 121.227 120.400 0.030 0.000 2.144 355 D HA -0.046 4.594 4.640 0.001 0.000 0.199 355 D C 2.301 178.622 176.300 0.035 0.000 0.984 355 D CA 1.630 55.656 54.000 0.044 0.000 0.834 355 D CB -0.674 40.163 40.800 0.062 0.000 0.955 355 D HN 0.740 nan 8.370 nan 0.000 0.465 356 A N 0.858 123.696 122.820 0.030 0.000 1.902 356 A HA -0.232 4.088 4.320 0.001 0.000 0.217 356 A C 2.144 179.738 177.584 0.018 0.000 1.181 356 A CA 1.442 53.497 52.037 0.030 0.000 0.623 356 A CB -0.631 18.385 19.000 0.026 0.000 0.818 356 A HN 0.212 nan 8.150 nan 0.000 0.443 357 Q N -0.619 119.185 119.800 0.006 0.000 2.124 357 Q HA -0.076 4.264 4.340 0.001 0.000 0.202 357 Q C 2.389 178.364 176.000 -0.041 0.000 0.977 357 Q CA 1.316 57.119 55.803 -0.001 0.000 0.850 357 Q CB -0.395 28.339 28.738 -0.006 0.000 0.901 357 Q HN 0.691 nan 8.270 nan 0.000 0.429 358 A N 1.304 124.070 122.820 -0.091 0.000 1.902 358 A HA -0.227 4.094 4.320 0.001 0.000 0.217 358 A C 2.033 179.418 177.584 -0.330 0.000 1.181 358 A CA 1.549 53.426 52.037 -0.268 0.000 0.623 358 A CB -0.515 18.386 19.000 -0.165 0.000 0.818 358 A HN 0.252 nan 8.150 nan 0.000 0.443 359 R N -0.548 119.924 120.500 -0.047 0.000 2.091 359 R HA -0.202 4.139 4.340 0.001 0.000 0.238 359 R C 2.053 178.388 176.300 0.058 0.000 1.136 359 R CA 1.927 58.081 56.100 0.090 0.000 0.959 359 R CB -0.244 30.120 30.300 0.108 0.000 0.856 359 R HN 0.473 nan 8.270 nan 0.000 0.437 360 E N -0.637 119.578 120.200 0.025 0.000 2.106 360 E HA -0.195 4.155 4.350 0.001 0.000 0.192 360 E C 1.542 178.158 176.600 0.026 0.000 0.984 360 E CA 1.182 57.603 56.400 0.035 0.000 0.806 360 E CB -0.306 29.424 29.700 0.049 0.000 0.750 360 E HN 0.432 nan 8.360 nan 0.000 0.458 361 Y N -0.411 119.792 120.300 -0.162 0.000 2.163 361 Y HA -0.176 4.374 4.550 0.000 0.000 0.288 361 Y C 1.599 177.353 175.900 -0.244 0.000 1.136 361 Y CA 1.460 59.422 58.100 -0.230 0.000 1.147 361 Y CB -0.379 37.869 38.460 -0.354 0.000 0.987 361 Y HN 0.027 nan 8.280 nan 0.000 0.509 362 F N 0.654 120.535 119.950 -0.115 0.000 2.134 362 F HA -0.133 4.394 4.527 0.000 0.000 0.299 362 F C 2.319 177.976 175.800 -0.239 0.000 1.097 362 F CA 1.443 59.310 58.000 -0.221 0.000 1.264 362 F CB -1.036 38.062 39.000 0.164 0.000 1.001 362 F HN -0.028 nan 8.300 nan 0.000 0.479 363 K N -0.003 120.448 120.400 0.085 0.000 2.063 363 K HA -0.223 4.097 4.320 0.001 0.000 0.208 363 K C 2.066 178.592 176.600 -0.125 0.000 1.048 363 K CA 1.646 57.938 56.287 0.010 0.000 0.928 363 K CB -0.291 32.227 32.500 0.030 0.000 0.713 363 K HN 0.361 nan 8.250 nan 0.000 0.442 364 Q N -0.257 119.429 119.800 -0.189 0.000 2.119 364 Q HA -0.100 4.240 4.340 0.001 0.000 0.201 364 Q C 2.111 177.868 176.000 -0.404 0.000 0.972 364 Q CA 1.552 57.214 55.803 -0.236 0.000 0.847 364 Q CB 0.108 28.741 28.738 -0.175 0.000 0.903 364 Q HN 0.210 nan 8.270 nan 0.000 0.433 365 S N 0.172 115.475 115.700 -0.661 0.000 2.387 365 S HA -0.019 4.451 4.470 0.001 0.000 0.226 365 S C 0.155 174.315 174.600 -0.733 0.000 1.026 365 S CA 0.725 58.394 58.200 -0.886 0.000 0.972 365 S CB 0.112 62.461 63.200 -1.419 0.000 0.814 365 S HN 0.186 nan 8.310 nan 0.000 0.477 366 F N 1.525 121.392 119.950 -0.138 0.000 2.366 366 F HA 0.357 4.884 4.527 0.000 0.000 0.357 366 F C 1.004 176.672 175.800 -0.219 0.000 1.107 366 F CA -1.808 56.106 58.000 -0.144 0.000 1.208 366 F CB 0.109 39.050 39.000 -0.099 0.000 1.464 366 F HN -0.099 nan 8.300 nan 0.000 0.501 367 V N -1.652 118.154 119.914 -0.179 0.000 2.913 367 V HA -0.176 3.944 4.120 0.001 0.000 0.260 367 V C 1.423 177.323 176.094 -0.324 0.000 1.098 367 V CA 1.775 63.903 62.300 -0.287 0.000 1.121 367 V CB -0.721 30.865 31.823 -0.396 0.000 0.714 367 V HN 0.651 nan 8.190 nan 0.000 0.487 368 H N 0.698 119.697 119.070 -0.119 0.000 2.551 368 H HA 0.602 5.159 4.556 0.000 0.000 0.271 368 H C 1.069 176.242 175.328 -0.259 0.000 0.984 368 H CA 0.508 56.451 56.048 -0.174 0.000 1.164 368 H CB 0.372 30.015 29.762 -0.199 0.000 1.437 368 H HN 0.624 nan 8.280 nan 0.000 0.550 369 A N 1.769 124.459 122.820 -0.216 0.000 2.309 369 A HA 0.403 4.723 4.320 0.001 0.000 0.298 369 A C 0.802 178.292 177.584 -0.157 0.000 1.165 369 A CA -0.420 51.413 52.037 -0.339 0.000 0.821 369 A CB 0.570 19.252 19.000 -0.530 0.000 1.102 369 A HN 0.317 nan 8.150 nan 0.000 0.500 370 S N 1.514 117.135 115.700 -0.131 0.000 2.624 370 S HA 0.150 4.621 4.470 0.001 0.000 0.263 370 S C 0.288 174.874 174.600 -0.022 0.000 1.287 370 S CA -0.062 58.101 58.200 -0.062 0.000 0.990 370 S CB 0.530 63.697 63.200 -0.055 0.000 0.950 370 S HN 0.617 nan 8.310 nan 0.000 0.561 371 D N 1.078 121.478 120.400 0.001 0.000 2.144 371 D HA -0.034 4.607 4.640 0.001 0.000 0.199 371 D C 2.225 178.548 176.300 0.037 0.000 0.984 371 D CA 1.638 55.655 54.000 0.029 0.000 0.834 371 D CB -0.865 39.952 40.800 0.027 0.000 0.955 371 D HN 0.687 nan 8.370 nan 0.000 0.465 372 A N 1.263 124.095 122.820 0.021 0.000 1.908 372 A HA -0.232 4.088 4.320 0.001 0.000 0.218 372 A C 2.074 179.681 177.584 0.039 0.000 1.181 372 A CA 1.588 53.641 52.037 0.026 0.000 0.627 372 A CB -0.569 18.437 19.000 0.011 0.000 0.818 372 A HN 0.226 nan 8.150 nan 0.000 0.445 373 E N -0.395 119.822 120.200 0.028 0.000 2.110 373 E HA -0.142 4.208 4.350 0.001 0.000 0.193 373 E C 1.830 178.515 176.600 0.142 0.000 0.988 373 E CA 1.012 57.454 56.400 0.071 0.000 0.804 373 E CB -0.213 29.485 29.700 -0.005 0.000 0.745 373 E HN 0.546 nan 8.360 nan 0.000 0.458 374 I N 1.755 122.400 120.570 0.126 0.000 2.315 374 I HA -0.206 3.964 4.170 0.001 0.000 0.248 374 I C 1.719 177.930 176.117 0.157 0.000 1.117 374 I CA 1.269 62.678 61.300 0.183 0.000 1.404 374 I CB -0.872 37.241 38.000 0.188 0.000 1.071 374 I HN 0.058 nan 8.210 nan 0.000 0.419 375 D N 0.654 121.122 120.400 0.114 0.000 2.117 375 D HA -0.112 4.528 4.640 0.001 0.000 0.198 375 D C 2.171 178.524 176.300 0.088 0.000 0.982 375 D CA 1.493 55.553 54.000 0.099 0.000 0.828 375 D CB -0.044 40.799 40.800 0.071 0.000 0.967 375 D HN 0.264 nan 8.370 nan 0.000 0.464 376 T N 1.325 115.924 114.554 0.075 0.000 2.708 376 T HA -0.139 4.211 4.350 0.001 0.000 0.266 376 T C 1.989 176.724 174.700 0.059 0.000 1.037 376 T CA 0.457 62.590 62.100 0.055 0.000 1.146 376 T CB -0.380 68.514 68.868 0.042 0.000 0.865 376 T HN 0.025 nan 8.240 nan 0.000 0.435 377 L N 0.932 122.191 121.223 0.060 0.000 2.043 377 L HA 0.003 4.343 4.340 0.001 0.000 0.212 377 L C 2.242 179.195 176.870 0.138 0.000 1.075 377 L CA 1.793 56.654 54.840 0.035 0.000 0.752 377 L CB -0.570 41.423 42.059 -0.111 0.000 0.891 377 L HN 0.272 nan 8.230 nan 0.000 0.432 378 M N -2.043 117.649 119.600 0.153 0.000 2.619 378 M HA -0.076 4.405 4.480 0.001 0.000 0.251 378 M C 1.574 177.965 176.300 0.152 0.000 1.106 378 M CA 1.039 56.462 55.300 0.205 0.000 1.086 378 M CB -0.339 32.401 32.600 0.233 0.000 1.465 378 M HN 0.253 nan 8.290 nan 0.000 0.506 379 T N 0.324 114.940 114.554 0.104 0.000 2.939 379 T HA 0.117 4.467 4.350 0.001 0.000 0.254 379 T C 1.967 176.682 174.700 0.026 0.000 1.041 379 T CA 1.136 63.274 62.100 0.064 0.000 1.142 379 T CB -0.027 68.869 68.868 0.046 0.000 0.874 379 T HN 0.437 nan 8.240 nan 0.000 0.452 380 A N 0.444 123.264 122.820 -0.000 0.000 1.968 380 A HA 0.084 4.404 4.320 0.001 0.000 0.217 380 A C 0.330 177.701 177.584 -0.356 0.000 1.169 380 A CA 0.850 52.792 52.037 -0.158 0.000 0.638 380 A CB -0.453 18.442 19.000 -0.175 0.000 0.812 380 A HN 0.580 nan 8.150 nan 0.000 0.446 381 Y N 0.697 121.018 120.300 0.035 0.000 2.863 381 Y HA 0.326 4.876 4.550 0.001 0.000 0.348 381 Y C -2.402 173.557 175.900 0.099 0.000 1.028 381 Y CA -2.962 55.181 58.100 0.072 0.000 1.213 381 Y CB 0.895 39.386 38.460 0.053 0.000 1.120 381 Y HN 0.195 nan 8.280 nan 0.000 0.598 382 P HA 0.092 nan 4.420 nan 0.000 0.274 382 P C 0.870 178.262 177.300 0.153 0.000 1.246 382 P CA 0.016 63.199 63.100 0.138 0.000 0.795 382 P CB 1.555 33.306 31.700 0.087 0.000 1.006 383 G N 0.215 109.093 108.800 0.131 0.000 2.509 383 G HA2 -0.150 3.810 3.960 0.001 0.000 0.218 383 G HA3 -0.150 3.810 3.960 0.001 0.000 0.218 383 G C 0.498 175.457 174.900 0.098 0.000 1.124 383 G CA 0.193 45.364 45.100 0.118 0.000 0.776 383 G HN 0.590 nan 8.290 nan 0.000 0.547 384 D N 1.146 121.600 120.400 0.089 0.000 2.570 384 D HA -0.085 4.555 4.640 0.001 0.000 0.243 384 D C 2.002 178.351 176.300 0.082 0.000 1.171 384 D CA -0.152 53.894 54.000 0.077 0.000 0.879 384 D CB 0.098 40.940 40.800 0.071 0.000 1.143 384 D HN 0.387 nan 8.370 nan 0.000 0.511 385 I N 1.405 122.018 120.570 0.073 0.000 2.756 385 I HA -0.165 4.005 4.170 0.001 0.000 0.262 385 I C 1.602 177.762 176.117 0.071 0.000 1.225 385 I CA 1.217 62.560 61.300 0.071 0.000 1.472 385 I CB -0.797 37.244 38.000 0.068 0.000 1.094 385 I HN 0.394 nan 8.210 nan 0.000 0.454 386 T N -2.134 112.463 114.554 0.072 0.000 3.035 386 T HA -0.086 4.264 4.350 0.001 0.000 0.268 386 T C 1.775 176.539 174.700 0.106 0.000 1.109 386 T CA 0.954 63.100 62.100 0.078 0.000 1.119 386 T CB -0.168 68.741 68.868 0.067 0.000 0.900 386 T HN 0.321 nan 8.240 nan 0.000 0.503 387 Q N 1.297 121.167 119.800 0.116 0.000 2.331 387 Q HA 0.377 4.717 4.340 0.001 0.000 0.203 387 Q C 1.301 177.450 176.000 0.249 0.000 0.944 387 Q CA 0.674 56.574 55.803 0.161 0.000 0.892 387 Q CB -0.356 28.459 28.738 0.129 0.000 0.983 387 Q HN 0.732 nan 8.270 nan 0.000 0.482 388 G N -1.211 107.678 108.800 0.148 0.000 2.568 388 G HA2 0.398 4.359 3.960 0.001 0.000 0.293 388 G HA3 0.398 4.359 3.960 0.001 0.000 0.293 388 G C -1.006 173.711 174.900 -0.305 0.000 1.347 388 G CA -0.473 44.653 45.100 0.042 0.000 1.039 388 G HN 0.088 nan 8.290 nan 0.000 0.523 389 S N 0.234 115.525 115.700 -0.682 0.000 2.480 389 S HA 0.539 5.009 4.470 0.001 0.000 0.286 389 S C -2.492 171.808 174.600 -0.500 0.000 1.180 389 S CA -1.284 56.318 58.200 -0.996 0.000 1.075 389 S CB 1.196 63.719 63.200 -1.129 0.000 0.996 389 S HN 0.194 nan 8.310 nan 0.000 0.487 390 P HA 0.123 nan 4.420 nan 0.000 0.267 390 P C -0.861 176.338 177.300 -0.168 0.000 1.209 390 P CA 0.014 62.991 63.100 -0.205 0.000 0.763 390 P CB 0.065 31.748 31.700 -0.029 0.000 0.816 391 F N 2.412 122.382 119.950 0.033 0.000 2.471 391 F HA 0.077 4.604 4.527 0.000 0.000 0.353 391 F C 1.376 177.189 175.800 0.022 0.000 1.113 391 F CA 0.526 58.539 58.000 0.022 0.000 1.262 391 F CB -0.090 38.908 39.000 -0.003 0.000 1.146 391 F HN 0.429 nan 8.300 nan 0.000 0.578 392 D N 0.347 120.892 120.400 0.241 0.000 2.723 392 D HA -0.172 4.468 4.640 0.001 0.000 0.236 392 D C 0.793 177.151 176.300 0.096 0.000 1.138 392 D CA 1.249 55.332 54.000 0.138 0.000 0.676 392 D CB -1.468 39.396 40.800 0.108 0.000 1.069 392 D HN 0.730 nan 8.370 nan 0.000 0.430 393 T N -3.423 111.182 114.554 0.085 0.000 3.174 393 T HA 0.489 4.839 4.350 0.001 0.000 0.269 393 T C 1.253 175.986 174.700 0.056 0.000 1.017 393 T CA 0.635 62.772 62.100 0.062 0.000 0.899 393 T CB 1.113 70.013 68.868 0.054 0.000 1.077 393 T HN 0.690 nan 8.240 nan 0.000 0.552 394 G N 3.400 112.236 108.800 0.061 0.000 2.556 394 G HA2 -0.340 3.620 3.960 0.001 0.000 0.283 394 G HA3 -0.340 3.620 3.960 0.001 0.000 0.283 394 G C 0.695 175.626 174.900 0.051 0.000 1.177 394 G CA 0.307 45.439 45.100 0.053 0.000 0.978 394 G HN 1.103 nan 8.290 nan 0.000 0.554 395 I N -0.020 120.576 120.570 0.044 0.000 3.684 395 I HA 0.463 4.633 4.170 0.001 0.000 0.304 395 I C 1.087 177.229 176.117 0.043 0.000 1.278 395 I CA -0.284 61.042 61.300 0.043 0.000 1.272 395 I CB -0.377 37.644 38.000 0.035 0.000 1.029 395 I HN 0.273 nan 8.210 nan 0.000 0.458 396 L N 2.213 123.462 121.223 0.043 0.000 2.466 396 L HA 0.268 4.608 4.340 0.001 0.000 0.257 396 L C 0.553 177.457 176.870 0.058 0.000 1.189 396 L CA -0.339 54.526 54.840 0.041 0.000 0.813 396 L CB 0.062 42.143 42.059 0.037 0.000 1.118 396 L HN 0.379 nan 8.230 nan 0.000 0.471 397 N N -0.114 118.619 118.700 0.055 0.000 2.776 397 N HA -0.158 4.583 4.740 0.001 0.000 0.249 397 N C -0.148 175.439 175.510 0.129 0.000 1.111 397 N CA 0.901 54.002 53.050 0.085 0.000 0.711 397 N CB -1.032 37.538 38.487 0.139 0.000 1.065 397 N HN 0.739 nan 8.380 nan 0.000 0.556 398 A N 0.920 123.787 122.820 0.079 0.000 3.004 398 A HA 0.401 4.721 4.320 0.001 0.000 0.286 398 A C 1.634 179.239 177.584 0.035 0.000 1.632 398 A CA -0.490 51.603 52.037 0.093 0.000 1.339 398 A CB -0.239 18.800 19.000 0.065 0.000 1.136 398 A HN 0.324 nan 8.150 nan 0.000 0.577 399 L N 0.784 121.996 121.223 -0.018 0.000 2.046 399 L HA -0.036 4.305 4.340 0.001 0.000 0.208 399 L C 1.621 178.454 176.870 -0.060 0.000 1.077 399 L CA 1.686 56.437 54.840 -0.148 0.000 0.747 399 L CB -1.001 40.788 42.059 -0.451 0.000 0.896 399 L HN 0.772 nan 8.230 nan 0.000 0.432 400 T N -5.622 108.950 114.554 0.030 0.000 2.864 400 T HA 0.380 4.731 4.350 0.001 0.000 0.289 400 T C -2.276 172.472 174.700 0.080 0.000 1.082 400 T CA -1.599 60.527 62.100 0.043 0.000 1.009 400 T CB 1.660 70.555 68.868 0.044 0.000 1.234 400 T HN -0.309 nan 8.240 nan 0.000 0.526 401 P HA -0.025 nan 4.420 nan 0.000 0.221 401 P C 1.071 178.420 177.300 0.081 0.000 1.145 401 P CA 0.985 64.124 63.100 0.064 0.000 0.795 401 P CB 0.120 31.848 31.700 0.046 0.000 0.775 402 Q N -3.287 116.566 119.800 0.089 0.000 2.217 402 Q HA 0.152 4.492 4.340 0.001 0.000 0.217 402 Q C 1.468 177.532 176.000 0.107 0.000 0.844 402 Q CA -0.117 55.737 55.803 0.085 0.000 0.957 402 Q CB -0.484 28.276 28.738 0.036 0.000 1.127 402 Q HN 0.279 nan 8.270 nan 0.000 0.503 403 F N 2.803 122.754 119.950 0.002 0.000 2.095 403 F HA -0.161 4.366 4.527 0.000 0.000 0.298 403 F C 1.752 177.561 175.800 0.015 0.000 1.104 403 F CA 1.670 59.668 58.000 -0.003 0.000 1.232 403 F CB 0.155 39.142 39.000 -0.022 0.000 0.987 403 F HN -0.110 nan 8.300 nan 0.000 0.475 404 K N -0.153 120.089 120.400 -0.263 0.000 2.148 404 K HA -0.159 4.162 4.320 0.001 0.000 0.204 404 K C 2.359 178.851 176.600 -0.179 0.000 1.050 404 K CA 1.165 57.242 56.287 -0.349 0.000 0.942 404 K CB -0.221 32.211 32.500 -0.112 0.000 0.724 404 K HN 0.292 nan 8.250 nan 0.000 0.446 405 R N 1.354 121.843 120.500 -0.018 0.000 2.055 405 R HA -0.043 4.297 4.340 0.001 0.000 0.228 405 R C 2.209 178.590 176.300 0.135 0.000 1.143 405 R CA 1.130 57.302 56.100 0.119 0.000 0.945 405 R CB -0.214 30.195 30.300 0.181 0.000 0.841 405 R HN 0.077 nan 8.270 nan 0.000 0.429 406 I N 0.859 121.510 120.570 0.136 0.000 2.163 406 I HA -0.281 3.889 4.170 0.001 0.000 0.243 406 I C 2.318 178.489 176.117 0.089 0.000 1.085 406 I CA 1.431 62.861 61.300 0.217 0.000 1.347 406 I CB -0.233 37.852 38.000 0.141 0.000 1.044 406 I HN 0.225 nan 8.210 nan 0.000 0.408 407 S N 0.745 116.379 115.700 -0.110 0.000 2.370 407 S HA -0.195 4.275 4.470 0.001 0.000 0.226 407 S C 2.260 176.827 174.600 -0.055 0.000 1.033 407 S CA 1.363 59.476 58.200 -0.145 0.000 1.011 407 S CB -0.414 62.488 63.200 -0.496 0.000 0.852 407 S HN 0.562 nan 8.310 nan 0.000 0.457 408 A N 1.189 123.976 122.820 -0.057 0.000 1.908 408 A HA -0.069 4.251 4.320 0.001 0.000 0.218 408 A C 2.356 179.971 177.584 0.052 0.000 1.181 408 A CA 1.666 53.789 52.037 0.143 0.000 0.627 408 A CB -0.945 18.280 19.000 0.374 0.000 0.818 408 A HN 0.344 nan 8.150 nan 0.000 0.445 409 V N -0.414 119.367 119.914 -0.221 0.000 2.237 409 V HA -0.223 3.898 4.120 0.001 0.000 0.245 409 V C 2.483 178.466 176.094 -0.186 0.000 1.046 409 V CA 1.916 63.895 62.300 -0.536 0.000 1.007 409 V CB -0.822 30.706 31.823 -0.492 0.000 0.638 409 V HN 0.472 nan 8.190 nan 0.000 0.445 410 L N 1.083 122.323 121.223 0.027 0.000 2.083 410 L HA -0.072 4.268 4.340 0.001 0.000 0.209 410 L C 2.487 179.469 176.870 0.187 0.000 1.083 410 L CA 2.300 57.211 54.840 0.119 0.000 0.752 410 L CB -1.583 40.602 42.059 0.209 0.000 0.899 410 L HN 0.384 nan 8.230 nan 0.000 0.433 411 G N -1.656 107.305 108.800 0.269 0.000 2.421 411 G HA2 -0.215 3.745 3.960 0.001 0.000 0.217 411 G HA3 -0.215 3.745 3.960 0.001 0.000 0.217 411 G C 1.270 176.420 174.900 0.417 0.000 1.143 411 G CA 0.616 45.971 45.100 0.424 0.000 0.784 411 G HN 0.311 nan 8.290 nan 0.000 0.541 412 D N -0.010 120.564 120.400 0.291 0.000 2.091 412 D HA -0.052 4.588 4.640 0.001 0.000 0.199 412 D C 2.383 178.834 176.300 0.252 0.000 0.980 412 D CA 0.436 54.617 54.000 0.303 0.000 0.831 412 D CB -0.341 40.633 40.800 0.290 0.000 0.987 412 D HN 0.216 nan 8.370 nan 0.000 0.460 413 L N 0.679 121.938 121.223 0.061 0.000 1.994 413 L HA 0.030 4.370 4.340 0.001 0.000 0.208 413 L C 2.109 179.014 176.870 0.060 0.000 1.071 413 L CA 2.317 57.170 54.840 0.022 0.000 0.745 413 L CB -1.014 40.906 42.059 -0.232 0.000 0.892 413 L HN 0.081 nan 8.230 nan 0.000 0.431 414 G N -2.332 106.407 108.800 -0.101 0.000 2.448 414 G HA2 -0.132 3.828 3.960 0.001 0.000 0.218 414 G HA3 -0.132 3.828 3.960 0.001 0.000 0.218 414 G C 0.822 175.285 174.900 -0.729 0.000 1.135 414 G CA 1.186 45.984 45.100 -0.504 0.000 0.784 414 G HN 0.497 nan 8.290 nan 0.000 0.543 415 F N -1.503 118.517 119.950 0.117 0.000 1.868 415 F HA 0.204 4.731 4.527 0.000 0.000 0.245 415 F C 2.536 178.434 175.800 0.163 0.000 1.114 415 F CA 0.553 58.628 58.000 0.125 0.000 1.261 415 F CB -0.354 38.737 39.000 0.152 0.000 1.620 415 F HN -0.148 nan 8.300 nan 0.000 0.567 416 T N 1.910 116.730 114.554 0.442 0.000 2.821 416 T HA -0.003 4.347 4.350 0.001 0.000 0.267 416 T C 1.932 176.836 174.700 0.339 0.000 1.046 416 T CA 1.371 63.695 62.100 0.373 0.000 1.139 416 T CB -0.268 68.851 68.868 0.419 0.000 0.871 416 T HN 0.071 nan 8.240 nan 0.000 0.454 417 L N 0.212 121.673 121.223 0.398 0.000 2.463 417 L HA 0.279 4.619 4.340 0.001 0.000 0.219 417 L C 2.951 180.008 176.870 0.312 0.000 1.088 417 L CA 0.341 55.461 54.840 0.466 0.000 0.849 417 L CB -0.548 41.921 42.059 0.682 0.000 1.012 417 L HN 0.202 nan 8.230 nan 0.000 0.468 418 A N 0.864 123.808 122.820 0.207 0.000 1.917 418 A HA -0.278 4.043 4.320 0.001 0.000 0.219 418 A C 2.420 180.001 177.584 -0.006 0.000 1.182 418 A CA 2.014 54.015 52.037 -0.059 0.000 0.633 418 A CB -0.615 18.414 19.000 0.049 0.000 0.819 418 A HN 0.369 nan 8.150 nan 0.000 0.448 419 R N -0.461 120.085 120.500 0.076 0.000 2.091 419 R HA -0.174 4.166 4.340 0.001 0.000 0.238 419 R C 2.411 178.762 176.300 0.086 0.000 1.136 419 R CA 1.823 57.966 56.100 0.072 0.000 0.959 419 R CB -0.347 29.988 30.300 0.058 0.000 0.856 419 R HN 0.553 nan 8.270 nan 0.000 0.437 420 R N -0.730 119.833 120.500 0.106 0.000 2.120 420 R HA -0.201 4.140 4.340 0.001 0.000 0.234 420 R C 2.089 178.494 176.300 0.174 0.000 1.123 420 R CA 1.652 57.794 56.100 0.069 0.000 0.975 420 R CB -0.391 29.929 30.300 0.033 0.000 0.866 420 R HN 0.344 nan 8.270 nan 0.000 0.446 421 Y N 0.050 120.451 120.300 0.168 0.000 2.163 421 Y HA -0.249 4.302 4.550 0.000 0.000 0.288 421 Y C 1.855 177.880 175.900 0.209 0.000 1.136 421 Y CA 1.871 60.099 58.100 0.212 0.000 1.147 421 Y CB -0.453 37.898 38.460 -0.181 0.000 0.987 421 Y HN 0.107 nan 8.280 nan 0.000 0.509 422 F N 0.290 120.304 119.950 0.106 0.000 2.095 422 F HA -0.255 4.272 4.527 0.000 0.000 0.298 422 F C 1.871 177.653 175.800 -0.029 0.000 1.104 422 F CA 1.821 59.820 58.000 -0.002 0.000 1.232 422 F CB -0.764 38.150 39.000 -0.143 0.000 0.987 422 F HN 0.040 nan 8.300 nan 0.000 0.475 423 L N 0.145 121.230 121.223 -0.229 0.000 2.083 423 L HA -0.243 4.098 4.340 0.001 0.000 0.209 423 L C 1.934 178.663 176.870 -0.235 0.000 1.083 423 L CA 1.864 56.467 54.840 -0.395 0.000 0.752 423 L CB -0.862 40.853 42.059 -0.573 0.000 0.899 423 L HN 0.212 nan 8.230 nan 0.000 0.433 424 N N -1.539 117.061 118.700 -0.167 0.000 2.512 424 N HA -0.132 4.608 4.740 0.001 0.000 0.183 424 N C 1.187 176.426 175.510 -0.452 0.000 1.073 424 N CA 0.476 53.372 53.050 -0.256 0.000 0.911 424 N CB 0.106 38.407 38.487 -0.311 0.000 0.964 424 N HN 0.428 nan 8.380 nan 0.000 0.447 425 H N -2.203 116.731 119.070 -0.227 0.000 3.017 425 H HA 0.114 4.670 4.556 0.001 0.000 0.255 425 H C -0.583 174.680 175.328 -0.108 0.000 0.990 425 H CA -0.364 55.591 56.048 -0.155 0.000 1.205 425 H CB 0.304 29.981 29.762 -0.142 0.000 1.460 425 H HN 0.127 nan 8.280 nan 0.000 0.478 426 Y N 2.766 122.832 120.300 -0.391 0.000 2.436 426 Y HA 0.122 4.672 4.550 0.000 0.000 0.336 426 Y C 0.818 176.526 175.900 -0.320 0.000 1.049 426 Y CA -0.062 57.680 58.100 -0.596 0.000 1.294 426 Y CB 0.704 38.365 38.460 -1.330 0.000 1.179 426 Y HN 0.114 nan 8.280 nan 0.000 0.520 427 T N 0.453 114.666 114.554 -0.568 0.000 3.182 427 T HA 0.219 4.569 4.350 0.001 0.000 0.277 427 T C 1.499 175.903 174.700 -0.494 0.000 1.013 427 T CA 0.162 62.030 62.100 -0.387 0.000 0.900 427 T CB 0.107 68.900 68.868 -0.125 0.000 1.098 427 T HN 0.727 nan 8.240 nan 0.000 0.543 428 G N 0.797 108.895 108.800 -1.170 0.000 2.484 428 G HA2 0.493 4.453 3.960 0.001 0.000 0.218 428 G HA3 0.493 4.453 3.960 0.001 0.000 0.218 428 G C 0.682 175.470 174.900 -0.187 0.000 1.130 428 G CA 0.289 45.047 45.100 -0.569 0.000 0.784 428 G HN 0.918 nan 8.290 nan 0.000 0.543 429 G N -1.793 106.941 108.800 -0.110 0.000 2.554 429 G HA2 0.433 4.393 3.960 0.001 0.000 0.306 429 G HA3 0.433 4.393 3.960 0.001 0.000 0.306 429 G C -1.057 173.897 174.900 0.090 0.000 1.320 429 G CA -0.369 44.782 45.100 0.084 0.000 0.800 429 G HN 0.054 nan 8.290 nan 0.000 0.481 430 T N 1.120 115.728 114.554 0.090 0.000 2.916 430 T HA 0.407 4.757 4.350 0.001 0.000 0.303 430 T C 0.080 174.755 174.700 -0.041 0.000 1.025 430 T CA 0.434 62.529 62.100 -0.009 0.000 1.142 430 T CB 0.640 69.520 68.868 0.020 0.000 0.947 430 T HN 0.396 nan 8.240 nan 0.000 0.544 431 K N 1.891 122.174 120.400 -0.195 0.000 2.207 431 K HA 0.567 4.888 4.320 0.001 0.000 0.255 431 K C -1.295 175.005 176.600 -0.501 0.000 0.941 431 K CA -0.518 55.651 56.287 -0.197 0.000 0.825 431 K CB 1.267 33.713 32.500 -0.089 0.000 1.119 431 K HN 0.495 nan 8.250 nan 0.000 0.430 432 Y N -0.261 119.987 120.300 -0.087 0.000 2.462 432 Y HA 0.534 5.084 4.550 0.000 0.000 0.346 432 Y C -0.094 175.906 175.900 0.166 0.000 0.976 432 Y CA -0.692 57.341 58.100 -0.111 0.000 1.044 432 Y CB 2.640 40.632 38.460 -0.781 0.000 1.230 432 Y HN 0.458 nan 8.280 nan 0.000 0.455 433 S N 3.277 119.386 115.700 0.683 0.000 2.541 433 S HA 0.801 5.271 4.470 0.001 0.000 0.280 433 S C -1.463 173.537 174.600 0.667 0.000 1.112 433 S CA -0.624 57.878 58.200 0.504 0.000 0.925 433 S CB 0.472 63.762 63.200 0.151 0.000 1.067 433 S HN 0.486 nan 8.310 nan 0.000 0.479 434 F N 2.463 122.636 119.950 0.372 0.000 2.593 434 F HA 0.933 5.461 4.527 0.000 0.000 0.320 434 F C -1.373 174.496 175.800 0.114 0.000 1.060 434 F CA -1.329 56.725 58.000 0.090 0.000 0.940 434 F CB 1.121 40.104 39.000 -0.028 0.000 1.268 434 F HN 0.433 nan 8.300 nan 0.000 0.475 435 L N 1.954 123.302 121.223 0.208 0.000 2.476 435 L HA 0.566 4.906 4.340 0.001 0.000 0.269 435 L C -0.932 176.036 176.870 0.163 0.000 0.965 435 L CA -0.209 54.725 54.840 0.157 0.000 0.845 435 L CB 1.951 44.076 42.059 0.110 0.000 1.259 435 L HN 0.875 nan 8.230 nan 0.000 0.403 436 S N 3.774 119.621 115.700 0.245 0.000 2.480 436 S HA 0.492 4.963 4.470 0.001 0.000 0.286 436 S C 0.174 174.844 174.600 0.116 0.000 1.180 436 S CA -0.443 57.862 58.200 0.175 0.000 1.075 436 S CB 0.523 63.895 63.200 0.287 0.000 0.996 436 S HN 0.711 nan 8.310 nan 0.000 0.487 437 K N 3.855 124.305 120.400 0.082 0.000 2.758 437 K HA 0.148 4.469 4.320 0.001 0.000 0.208 437 K C 1.228 177.872 176.600 0.073 0.000 1.091 437 K CA -0.205 56.137 56.287 0.092 0.000 1.059 437 K CB 0.414 32.983 32.500 0.114 0.000 0.801 437 K HN 0.673 nan 8.250 nan 0.000 0.470 438 Q N 0.430 120.257 119.800 0.045 0.000 2.170 438 Q HA -0.070 4.270 4.340 0.001 0.000 0.203 438 Q C 0.507 176.512 176.000 0.008 0.000 0.976 438 Q CA 1.152 56.946 55.803 -0.016 0.000 0.858 438 Q CB 0.333 29.015 28.738 -0.094 0.000 0.907 438 Q HN 0.160 nan 8.270 nan 0.000 0.433 439 L N 0.882 122.142 121.223 0.061 0.000 3.062 439 L HA 0.263 4.603 4.340 0.001 0.000 0.255 439 L C -0.257 176.675 176.870 0.103 0.000 1.274 439 L CA 0.155 55.055 54.840 0.099 0.000 1.047 439 L CB 0.644 42.794 42.059 0.152 0.000 1.402 439 L HN -0.114 nan 8.230 nan 0.000 0.550 440 S N 0.453 116.202 115.700 0.082 0.000 2.563 440 S HA 0.338 4.808 4.470 0.001 0.000 0.294 440 S C 1.382 176.024 174.600 0.069 0.000 1.279 440 S CA 0.877 59.124 58.200 0.079 0.000 1.069 440 S CB 0.270 63.511 63.200 0.067 0.000 0.828 440 S HN 0.743 nan 8.310 nan 0.000 0.497 441 G N 1.695 110.537 108.800 0.070 0.000 2.175 441 G HA2 -0.224 3.736 3.960 0.001 0.000 0.244 441 G HA3 -0.224 3.736 3.960 0.001 0.000 0.244 441 G C -0.091 174.849 174.900 0.066 0.000 0.982 441 G CA -0.109 45.027 45.100 0.059 0.000 0.641 441 G HN 0.659 nan 8.290 nan 0.000 0.527 442 L N 2.743 124.020 121.223 0.091 0.000 2.433 442 L HA 0.555 4.895 4.340 0.001 0.000 0.275 442 L C -1.620 175.289 176.870 0.065 0.000 1.128 442 L CA -1.864 53.034 54.840 0.097 0.000 0.875 442 L CB 0.218 42.379 42.059 0.169 0.000 1.171 442 L HN -0.053 nan 8.230 nan 0.000 0.463 443 P HA 0.124 nan 4.420 nan 0.000 0.267 443 P C 0.777 178.070 177.300 -0.012 0.000 1.200 443 P CA 0.047 63.153 63.100 0.011 0.000 0.772 443 P CB 0.716 32.413 31.700 -0.005 0.000 0.855 444 V N 0.764 120.678 119.914 -0.001 0.000 0.497 444 V HA -0.357 3.763 4.120 0.001 0.000 0.092 444 V C 1.780 177.891 176.094 0.028 0.000 2.331 444 V CA 2.413 64.713 62.300 -0.000 0.000 3.613 444 V CB -1.990 29.765 31.823 -0.115 0.000 0.899 444 V HN 0.546 nan 8.190 nan 0.000 0.942 445 L N -0.065 121.121 121.223 -0.062 0.000 2.354 445 L HA 0.527 4.867 4.340 0.001 0.000 0.212 445 L C 1.642 178.560 176.870 0.080 0.000 1.091 445 L CA 0.900 55.686 54.840 -0.091 0.000 0.828 445 L CB -0.269 41.576 42.059 -0.358 0.000 0.973 445 L HN 0.920 nan 8.230 nan 0.000 0.461 446 G N 0.595 109.468 108.800 0.122 0.000 2.569 446 G HA2 -0.303 3.657 3.960 0.001 0.000 0.259 446 G HA3 -0.303 3.657 3.960 0.001 0.000 0.259 446 G C 0.098 175.136 174.900 0.230 0.000 1.263 446 G CA -0.012 45.176 45.100 0.147 0.000 0.928 446 G HN 0.127 nan 8.290 nan 0.000 0.572 447 T N 2.414 117.070 114.554 0.169 0.000 3.455 447 T HA 0.470 4.820 4.350 0.001 0.000 0.286 447 T C 0.444 175.213 174.700 0.114 0.000 1.157 447 T CA 0.729 62.900 62.100 0.118 0.000 1.090 447 T CB -0.978 67.955 68.868 0.109 0.000 1.112 447 T HN 0.779 nan 8.240 nan 0.000 0.779 448 F N 0.460 120.485 119.950 0.124 0.000 2.406 448 F HA 0.479 5.006 4.527 0.000 0.000 0.327 448 F C 0.690 176.623 175.800 0.222 0.000 1.153 448 F CA -1.598 56.488 58.000 0.143 0.000 1.218 448 F CB 0.187 39.222 39.000 0.058 0.000 1.215 448 F HN 0.347 nan 8.300 nan 0.000 0.570 449 H N 1.600 120.894 119.070 0.373 0.000 3.004 449 H HA 0.229 4.786 4.556 0.000 0.000 0.316 449 H C 0.797 176.290 175.328 0.274 0.000 1.014 449 H CA 0.908 57.082 56.048 0.210 0.000 1.454 449 H CB 0.418 30.287 29.762 0.177 0.000 1.472 449 H HN 0.967 nan 8.280 nan 0.000 0.571 450 S N 1.562 117.080 115.700 -0.303 0.000 2.765 450 S HA -0.348 4.123 4.470 0.001 0.000 0.266 450 S C 1.484 176.004 174.600 -0.135 0.000 1.302 450 S CA 1.153 59.242 58.200 -0.185 0.000 1.274 450 S CB -2.618 60.558 63.200 -0.040 0.000 1.559 450 S HN 0.939 nan 8.310 nan 0.000 0.658 451 N N 3.481 121.948 118.700 -0.388 0.000 2.272 451 N HA -0.154 4.586 4.740 0.001 0.000 0.185 451 N C 1.166 176.591 175.510 -0.143 0.000 1.014 451 N CA 1.656 54.437 53.050 -0.447 0.000 0.870 451 N CB -0.789 37.203 38.487 -0.824 0.000 0.975 451 N HN 0.777 nan 8.380 nan 0.000 0.433 452 D N 0.715 121.019 120.400 -0.161 0.000 2.218 452 D HA -0.166 4.474 4.640 0.001 0.000 0.204 452 D C 1.679 177.837 176.300 -0.236 0.000 0.976 452 D CA 0.620 54.407 54.000 -0.355 0.000 0.853 452 D CB -0.198 40.126 40.800 -0.793 0.000 0.939 452 D HN 0.329 nan 8.370 nan 0.000 0.481 453 I N 1.102 121.631 120.570 -0.069 0.000 2.315 453 I HA -0.179 3.992 4.170 0.001 0.000 0.248 453 I C 2.638 178.818 176.117 0.104 0.000 1.117 453 I CA 0.396 61.740 61.300 0.074 0.000 1.404 453 I CB -0.877 37.257 38.000 0.224 0.000 1.071 453 I HN -0.028 nan 8.210 nan 0.000 0.419 454 V N 0.767 120.657 119.914 -0.040 0.000 2.255 454 V HA -0.270 3.850 4.120 0.001 0.000 0.247 454 V C 2.176 178.152 176.094 -0.197 0.000 1.051 454 V CA 1.898 64.090 62.300 -0.181 0.000 1.018 454 V CB -0.851 30.586 31.823 -0.644 0.000 0.641 454 V HN 0.179 nan 8.190 nan 0.000 0.445 455 F N -0.297 119.735 119.950 0.135 0.000 2.811 455 F HA 0.079 4.606 4.527 0.001 0.000 0.301 455 F C 2.252 178.162 175.800 0.183 0.000 1.151 455 F CA 0.835 58.934 58.000 0.165 0.000 1.412 455 F CB -0.400 38.735 39.000 0.224 0.000 1.113 455 F HN 0.188 nan 8.300 nan 0.000 0.579 456 Q N -0.345 119.598 119.800 0.237 0.000 2.394 456 Q HA -0.024 4.316 4.340 0.001 0.000 0.218 456 Q C 0.777 176.799 176.000 0.037 0.000 0.907 456 Q CA 0.993 56.899 55.803 0.172 0.000 0.919 456 Q CB 0.437 29.256 28.738 0.135 0.000 1.051 456 Q HN 0.174 nan 8.270 nan 0.000 0.538 457 D N -1.511 118.859 120.400 -0.049 0.000 2.489 457 D HA 0.071 4.711 4.640 0.001 0.000 0.231 457 D C 0.357 176.363 176.300 -0.491 0.000 1.114 457 D CA 0.275 54.095 54.000 -0.299 0.000 0.842 457 D CB 0.503 41.012 40.800 -0.485 0.000 1.133 457 D HN 0.217 nan 8.370 nan 0.000 0.506 458 Y N 0.090 120.349 120.300 -0.067 0.000 2.678 458 Y HA 0.379 4.929 4.550 0.000 0.000 0.274 458 Y C 0.866 176.734 175.900 -0.053 0.000 1.114 458 Y CA 0.039 58.090 58.100 -0.082 0.000 1.274 458 Y CB 1.108 39.489 38.460 -0.131 0.000 1.438 458 Y HN -0.277 nan 8.280 nan 0.000 0.493 459 L N 0.896 122.194 121.223 0.125 0.000 2.341 459 L HA 0.392 4.732 4.340 0.001 0.000 0.267 459 L C -1.138 175.867 176.870 0.224 0.000 1.009 459 L CA -1.059 53.856 54.840 0.125 0.000 0.819 459 L CB 2.006 44.110 42.059 0.074 0.000 1.323 459 L HN -0.089 nan 8.230 nan 0.000 0.425 460 L N 1.206 122.551 121.223 0.203 0.000 2.334 460 L HA 0.746 5.087 4.340 0.001 0.000 0.277 460 L C 0.453 177.463 176.870 0.232 0.000 1.075 460 L CA 0.226 55.179 54.840 0.189 0.000 0.804 460 L CB 0.986 43.099 42.059 0.089 0.000 1.174 460 L HN 0.789 nan 8.230 nan 0.000 0.438 461 G N 0.327 109.200 108.800 0.121 0.000 2.645 461 G HA2 0.359 4.320 3.960 0.001 0.000 0.292 461 G HA3 0.359 4.320 3.960 0.001 0.000 0.292 461 G C 0.457 175.230 174.900 -0.211 0.000 1.415 461 G CA 0.322 45.351 45.100 -0.118 0.000 0.785 461 G HN 0.528 nan 8.290 nan 0.000 0.483 462 S N -0.972 114.562 115.700 -0.276 0.000 2.383 462 S HA -0.056 4.414 4.470 0.001 0.000 0.229 462 S C 2.432 176.836 174.600 -0.327 0.000 1.030 462 S CA 2.105 60.159 58.200 -0.243 0.000 1.002 462 S CB -0.676 62.401 63.200 -0.205 0.000 0.829 462 S HN 1.423 nan 8.310 nan 0.000 0.467 463 G N 1.523 110.063 108.800 -0.434 0.000 2.432 463 G HA2 -0.146 3.814 3.960 0.001 0.000 0.219 463 G HA3 -0.146 3.814 3.960 0.001 0.000 0.219 463 G C 1.524 176.065 174.900 -0.598 0.000 1.135 463 G CA 0.969 45.729 45.100 -0.566 0.000 0.767 463 G HN 0.604 nan 8.290 nan 0.000 0.550 464 S N 0.566 116.137 115.700 -0.215 0.000 2.440 464 S HA -0.091 4.380 4.470 0.001 0.000 0.238 464 S C 2.113 176.571 174.600 -0.237 0.000 1.010 464 S CA 0.597 58.739 58.200 -0.097 0.000 0.972 464 S CB -0.156 63.060 63.200 0.027 0.000 0.774 464 S HN 0.153 nan 8.310 nan 0.000 0.501 465 L N 1.020 122.068 121.223 -0.291 0.000 2.131 465 L HA -0.018 4.322 4.340 0.001 0.000 0.210 465 L C 1.889 178.544 176.870 -0.357 0.000 1.092 465 L CA 1.337 56.022 54.840 -0.260 0.000 0.759 465 L CB -0.916 41.005 42.059 -0.230 0.000 0.903 465 L HN 0.311 nan 8.230 nan 0.000 0.435 466 I N -2.332 117.863 120.570 -0.624 0.000 2.512 466 I HA -0.147 4.023 4.170 0.001 0.000 0.247 466 I C 2.334 177.749 176.117 -1.170 0.000 1.094 466 I CA 0.814 61.611 61.300 -0.839 0.000 1.427 466 I CB -1.308 36.013 38.000 -1.131 0.000 1.149 466 I HN 0.143 nan 8.210 nan 0.000 0.438 467 Y N 1.581 121.384 120.300 -0.828 0.000 2.497 467 Y HA -0.067 4.484 4.550 0.001 0.000 0.292 467 Y C 2.052 177.728 175.900 -0.374 0.000 1.137 467 Y CA 0.597 58.214 58.100 -0.805 0.000 1.285 467 Y CB -1.175 37.142 38.460 -0.238 0.000 0.991 467 Y HN 0.368 nan 8.280 nan 0.000 0.556 468 N N -0.926 117.675 118.700 -0.165 0.000 2.804 468 N HA -0.025 4.715 4.740 0.001 0.000 0.233 468 N C 1.220 176.705 175.510 -0.042 0.000 1.020 468 N CA 0.424 53.459 53.050 -0.026 0.000 1.164 468 N CB -0.175 38.313 38.487 0.003 0.000 1.571 468 N HN -0.004 nan 8.380 nan 0.000 0.551 469 N N 1.623 120.278 118.700 -0.075 0.000 2.043 469 N HA -0.107 4.633 4.740 0.001 0.000 0.193 469 N C 1.556 177.066 175.510 0.000 0.000 1.037 469 N CA 1.567 54.596 53.050 -0.034 0.000 0.851 469 N CB -0.440 38.019 38.487 -0.048 0.000 1.027 469 N HN 0.256 nan 8.380 nan 0.000 0.422 470 A N 0.059 122.861 122.820 -0.029 0.000 1.969 470 A HA -0.034 4.286 4.320 0.001 0.000 0.218 470 A C 1.636 179.374 177.584 0.257 0.000 1.169 470 A CA 0.880 52.979 52.037 0.103 0.000 0.635 470 A CB -0.635 18.485 19.000 0.199 0.000 0.810 470 A HN 0.164 nan 8.150 nan 0.000 0.445 471 F N -0.072 119.899 119.950 0.035 0.000 2.206 471 F HA 0.001 4.528 4.527 0.001 0.000 0.298 471 F C 2.125 177.933 175.800 0.014 0.000 1.090 471 F CA 0.059 58.077 58.000 0.031 0.000 1.323 471 F CB -0.867 38.134 39.000 0.002 0.000 1.028 471 F HN 0.132 nan 8.300 nan 0.000 0.492 472 I N -0.210 120.462 120.570 0.169 0.000 2.252 472 I HA -0.275 3.895 4.170 0.001 0.000 0.245 472 I C 2.610 178.768 176.117 0.069 0.000 1.102 472 I CA 1.191 62.537 61.300 0.078 0.000 1.385 472 I CB -0.689 37.343 38.000 0.054 0.000 1.064 472 I HN 0.026 nan 8.210 nan 0.000 0.414 473 A N 0.640 123.510 122.820 0.083 0.000 1.902 473 A HA -0.269 4.051 4.320 0.001 0.000 0.217 473 A C 2.239 179.858 177.584 0.059 0.000 1.181 473 A CA 1.539 53.610 52.037 0.057 0.000 0.623 473 A CB -1.006 18.026 19.000 0.054 0.000 0.818 473 A HN 0.430 nan 8.150 nan 0.000 0.443 474 F N 0.988 120.903 119.950 -0.058 0.000 2.095 474 F HA -0.100 4.427 4.527 0.001 0.000 0.298 474 F C 2.533 178.296 175.800 -0.062 0.000 1.104 474 F CA 1.190 59.133 58.000 -0.096 0.000 1.232 474 F CB -0.518 38.404 39.000 -0.131 0.000 0.987 474 F HN 0.239 nan 8.300 nan 0.000 0.475 475 A N -1.115 121.666 122.820 -0.065 0.000 1.969 475 A HA -0.123 4.197 4.320 0.001 0.000 0.218 475 A C 2.154 179.663 177.584 -0.126 0.000 1.169 475 A CA 2.129 54.084 52.037 -0.137 0.000 0.635 475 A CB -1.200 17.760 19.000 -0.066 0.000 0.810 475 A HN 0.446 nan 8.150 nan 0.000 0.445 476 T N -0.511 113.996 114.554 -0.078 0.000 2.852 476 T HA -0.016 4.334 4.350 0.001 0.000 0.256 476 T C 0.994 175.647 174.700 -0.078 0.000 1.038 476 T CA 1.302 63.367 62.100 -0.058 0.000 1.141 476 T CB -0.109 68.746 68.868 -0.022 0.000 0.869 476 T HN 0.473 nan 8.240 nan 0.000 0.439 477 D N 0.261 120.608 120.400 -0.089 0.000 2.469 477 D HA 0.285 4.926 4.640 0.001 0.000 0.213 477 D C 0.671 176.902 176.300 -0.115 0.000 1.135 477 D CA 0.010 53.964 54.000 -0.076 0.000 0.834 477 D CB 0.627 41.406 40.800 -0.034 0.000 1.009 477 D HN 0.208 nan 8.370 nan 0.000 0.507 478 L N 1.148 122.220 121.223 -0.252 0.000 4.040 478 L HA -0.221 4.119 4.340 0.001 0.000 0.410 478 L C -0.633 176.188 176.870 -0.082 0.000 1.187 478 L CA 0.552 55.148 54.840 -0.406 0.000 0.956 478 L CB -1.324 40.585 42.059 -0.249 0.000 2.022 478 L HN 0.068 nan 8.230 nan 0.000 0.897 479 D N -0.777 119.634 120.400 0.018 0.000 2.738 479 D HA 0.278 4.918 4.640 0.001 0.000 0.218 479 D C -1.735 174.532 176.300 -0.055 0.000 1.345 479 D CA -1.184 52.826 54.000 0.016 0.000 0.943 479 D CB 1.796 42.615 40.800 0.032 0.000 1.514 479 D HN -0.195 nan 8.370 nan 0.000 0.585 480 P HA -0.058 nan 4.420 nan 0.000 0.226 480 P C 0.589 177.864 177.300 -0.042 0.000 1.153 480 P CA 0.434 63.434 63.100 -0.167 0.000 0.777 480 P CB 0.491 31.901 31.700 -0.483 0.000 0.794 481 N N -0.050 118.616 118.700 -0.056 0.000 2.515 481 N HA -0.043 4.698 4.740 0.001 0.000 0.185 481 N C 1.476 177.006 175.510 0.032 0.000 1.109 481 N CA 1.325 54.396 53.050 0.034 0.000 0.903 481 N CB -0.565 37.960 38.487 0.062 0.000 0.969 481 N HN 0.328 nan 8.380 nan 0.000 0.450 482 T N -2.345 112.220 114.554 0.019 0.000 3.113 482 T HA 0.133 4.483 4.350 0.001 0.000 0.263 482 T C 1.766 176.480 174.700 0.023 0.000 1.143 482 T CA 0.562 62.675 62.100 0.021 0.000 1.090 482 T CB -0.017 68.859 68.868 0.014 0.000 0.922 482 T HN 0.094 nan 8.240 nan 0.000 0.521 483 A N 1.285 124.122 122.820 0.029 0.000 2.168 483 A HA 0.496 4.817 4.320 0.001 0.000 0.215 483 A C 2.025 179.620 177.584 0.019 0.000 1.152 483 A CA 0.541 52.593 52.037 0.024 0.000 0.716 483 A CB -1.270 17.747 19.000 0.028 0.000 0.794 483 A HN 1.376 nan 8.150 nan 0.000 0.465 484 G N -0.719 108.096 108.800 0.025 0.000 2.272 484 G HA2 -0.217 3.744 3.960 0.001 0.000 0.280 484 G HA3 -0.217 3.744 3.960 0.001 0.000 0.280 484 G C -0.024 174.885 174.900 0.015 0.000 1.067 484 G CA 0.366 45.479 45.100 0.021 0.000 0.902 484 G HN 0.493 nan 8.290 nan 0.000 0.500 485 L N -0.522 120.713 121.223 0.021 0.000 2.453 485 L HA 0.304 4.644 4.340 0.001 0.000 0.261 485 L C 1.930 178.807 176.870 0.012 0.000 1.179 485 L CA -1.333 53.510 54.840 0.006 0.000 0.813 485 L CB 0.311 42.372 42.059 0.003 0.000 1.110 485 L HN -0.050 nan 8.230 nan 0.000 0.466 486 L N 1.762 122.985 121.223 0.000 0.000 2.217 486 L HA 0.034 4.374 4.340 0.001 0.000 0.211 486 L C 0.589 177.469 176.870 0.017 0.000 1.107 486 L CA 0.953 55.798 54.840 0.008 0.000 0.783 486 L CB -0.650 41.409 42.059 0.000 0.000 0.919 486 L HN 0.294 nan 8.230 nan 0.000 0.442 487 V N 0.570 120.491 119.914 0.012 0.000 2.481 487 V HA 0.191 4.311 4.120 0.001 0.000 0.286 487 V C 0.576 176.703 176.094 0.056 0.000 1.042 487 V CA -1.004 61.309 62.300 0.022 0.000 0.928 487 V CB 1.850 33.668 31.823 -0.007 0.000 0.986 487 V HN 0.154 nan 8.190 nan 0.000 0.462 488 K N 3.946 124.395 120.400 0.082 0.000 2.276 488 K HA 0.107 4.427 4.320 0.001 0.000 0.283 488 K C -0.759 175.969 176.600 0.214 0.000 1.044 488 K CA -0.549 55.820 56.287 0.138 0.000 0.944 488 K CB 0.567 33.138 32.500 0.118 0.000 1.012 488 K HN 0.706 nan 8.250 nan 0.000 0.472 489 W N 8.380 129.722 121.300 0.070 0.000 2.357 489 W HA 0.224 4.885 4.660 0.001 0.000 0.317 489 W C -2.378 174.266 176.519 0.209 0.000 1.101 489 W CA -2.787 54.631 57.345 0.121 0.000 1.380 489 W CB 0.487 29.997 29.460 0.083 0.000 1.266 489 W HN 0.495 nan 8.180 nan 0.000 0.419 490 P HA 0.053 nan 4.420 nan 0.000 0.275 490 P C -0.388 177.135 177.300 0.370 0.000 1.228 490 P CA 0.025 63.337 63.100 0.354 0.000 0.786 490 P CB 1.319 33.144 31.700 0.208 0.000 0.927 491 E N 1.698 121.989 120.200 0.151 0.000 2.392 491 E HA 0.003 4.353 4.350 0.001 0.000 0.264 491 E C -1.151 175.454 176.600 0.008 0.000 1.024 491 E CA -0.398 55.951 56.400 -0.085 0.000 0.903 491 E CB 0.233 29.858 29.700 -0.126 0.000 0.963 491 E HN 0.361 nan 8.360 nan 0.000 0.432 492 Y N 3.704 123.923 120.300 -0.134 0.000 2.341 492 Y HA 0.135 4.685 4.550 0.001 0.000 0.340 492 Y C 0.864 176.701 175.900 -0.106 0.000 0.997 492 Y CA 0.070 58.132 58.100 -0.064 0.000 1.149 492 Y CB 1.213 39.658 38.460 -0.026 0.000 1.171 492 Y HN 0.623 nan 8.280 nan 0.000 0.494 493 T N 0.036 114.547 114.554 -0.071 0.000 3.085 493 T HA 0.306 4.656 4.350 0.001 0.000 0.241 493 T C 0.380 175.072 174.700 -0.013 0.000 0.988 493 T CA 0.431 62.520 62.100 -0.018 0.000 1.117 493 T CB -0.039 68.781 68.868 -0.081 0.000 0.978 493 T HN 0.435 nan 8.240 nan 0.000 0.454 494 S N -0.230 115.339 115.700 -0.219 0.000 2.607 494 S HA 0.519 4.989 4.470 0.001 0.000 0.273 494 S C 0.690 175.103 174.600 -0.313 0.000 1.148 494 S CA -0.020 58.093 58.200 -0.146 0.000 0.833 494 S CB 1.756 64.875 63.200 -0.136 0.000 1.130 494 S HN 0.451 nan 8.310 nan 0.000 0.470 495 S N 1.151 116.762 115.700 -0.149 0.000 2.489 495 S HA 0.046 4.516 4.470 0.001 0.000 0.228 495 S C 0.995 175.469 174.600 -0.208 0.000 0.995 495 S CA 0.651 58.737 58.200 -0.191 0.000 0.934 495 S CB -0.130 62.966 63.200 -0.174 0.000 0.771 495 S HN 0.473 nan 8.310 nan 0.000 0.522 496 S N 1.944 117.537 115.700 -0.178 0.000 2.597 496 S HA 0.137 4.607 4.470 0.001 0.000 0.224 496 S C 0.686 175.204 174.600 -0.137 0.000 0.955 496 S CA -0.592 57.523 58.200 -0.142 0.000 0.933 496 S CB -0.217 62.915 63.200 -0.114 0.000 0.788 496 S HN 0.831 nan 8.310 nan 0.000 0.488 497 Q N 0.857 120.550 119.800 -0.179 0.000 2.443 497 Q HA 0.377 4.718 4.340 0.001 0.000 0.232 497 Q C -0.343 175.581 176.000 -0.126 0.000 1.026 497 Q CA -0.139 55.569 55.803 -0.157 0.000 0.924 497 Q CB 0.438 29.052 28.738 -0.206 0.000 1.256 497 Q HN 0.033 nan 8.270 nan 0.000 0.519 498 S N -0.010 115.634 115.700 -0.094 0.000 2.499 498 S HA 0.635 5.106 4.470 0.001 0.000 0.279 498 S C -0.340 174.221 174.600 -0.065 0.000 1.219 498 S CA 0.647 58.806 58.200 -0.068 0.000 1.062 498 S CB 0.265 63.436 63.200 -0.049 0.000 0.978 498 S HN 1.073 nan 8.310 nan 0.000 0.489 499 G N 4.134 112.903 108.800 -0.051 0.000 2.690 499 G HA2 -0.183 3.777 3.960 0.001 0.000 0.686 499 G HA3 -0.183 3.777 3.960 0.001 0.000 0.686 499 G C -0.760 174.112 174.900 -0.047 0.000 1.277 499 G CA -0.941 44.137 45.100 -0.036 0.000 0.799 499 G HN 0.827 nan 8.290 nan 0.000 0.613 500 N N 0.898 119.589 118.700 -0.016 0.000 2.458 500 N HA 0.230 4.970 4.740 0.001 0.000 0.258 500 N C 0.999 176.501 175.510 -0.013 0.000 1.219 500 N CA 0.628 53.675 53.050 -0.005 0.000 0.902 500 N CB 0.333 38.833 38.487 0.022 0.000 1.076 500 N HN 0.743 nan 8.380 nan 0.000 0.455 501 N N 2.187 120.872 118.700 -0.025 0.000 2.118 501 N HA 0.115 4.855 4.740 0.001 0.000 0.226 501 N C -0.997 174.618 175.510 0.175 0.000 1.305 501 N CA 0.022 53.056 53.050 -0.026 0.000 0.890 501 N CB 0.562 38.824 38.487 -0.376 0.000 1.118 501 N HN 0.307 nan 8.380 nan 0.000 0.511 502 L N 1.050 122.355 121.223 0.137 0.000 2.362 502 L HA 0.512 4.853 4.340 0.001 0.000 0.275 502 L C -0.548 176.294 176.870 -0.047 0.000 0.998 502 L CA -1.056 53.876 54.840 0.154 0.000 0.820 502 L CB 2.024 44.169 42.059 0.143 0.000 1.270 502 L HN 0.000 nan 8.230 nan 0.000 0.415 503 M N 4.308 123.773 119.600 -0.225 0.000 2.217 503 M HA 0.402 4.882 4.480 0.001 0.000 0.354 503 M C -0.790 175.266 176.300 -0.407 0.000 1.225 503 M CA 0.914 55.863 55.300 -0.585 0.000 1.137 503 M CB 0.506 32.198 32.600 -1.512 0.000 1.576 503 M HN 0.480 nan 8.290 nan 0.000 0.461 504 M N 5.402 124.687 119.600 -0.525 0.000 2.591 504 M HA 0.581 5.061 4.480 0.001 0.000 0.306 504 M C -1.322 174.664 176.300 -0.523 0.000 1.190 504 M CA -0.595 54.356 55.300 -0.582 0.000 0.889 504 M CB 2.217 34.201 32.600 -1.026 0.000 1.728 504 M HN 0.588 nan 8.290 nan 0.000 0.458 505 I N 2.167 122.573 120.570 -0.274 0.000 2.498 505 I HA 0.426 4.596 4.170 0.001 0.000 0.290 505 I C -0.721 175.424 176.117 0.046 0.000 1.032 505 I CA -0.671 60.548 61.300 -0.135 0.000 1.073 505 I CB 1.869 39.745 38.000 -0.207 0.000 1.251 505 I HN 0.735 nan 8.210 nan 0.000 0.426 506 N N 4.419 123.194 118.700 0.126 0.000 3.091 506 N HA 0.523 5.263 4.740 0.001 0.000 0.329 506 N C 0.547 176.048 175.510 -0.016 0.000 1.430 506 N CA -0.572 52.536 53.050 0.096 0.000 0.755 506 N CB 0.657 39.227 38.487 0.138 0.000 1.626 506 N HN 0.474 nan 8.380 nan 0.000 0.614 507 A N -0.747 122.054 122.820 -0.032 0.000 2.019 507 A HA -0.016 4.304 4.320 0.001 0.000 0.219 507 A C 1.521 179.062 177.584 -0.072 0.000 1.164 507 A CA 1.233 53.230 52.037 -0.066 0.000 0.644 507 A CB -0.676 18.303 19.000 -0.036 0.000 0.805 507 A HN 0.445 nan 8.150 nan 0.000 0.449 508 L N -2.588 118.603 121.223 -0.053 0.000 2.354 508 L HA 0.346 4.686 4.340 0.001 0.000 0.212 508 L C 1.453 178.291 176.870 -0.053 0.000 1.091 508 L CA 1.239 56.047 54.840 -0.052 0.000 0.828 508 L CB -0.936 41.093 42.059 -0.050 0.000 0.973 508 L HN 0.541 nan 8.230 nan 0.000 0.461 509 G N -1.698 107.078 108.800 -0.040 0.000 2.566 509 G HA2 0.266 4.227 3.960 0.001 0.000 0.138 509 G HA3 0.266 4.227 3.960 0.001 0.000 0.138 509 G C -1.514 173.384 174.900 -0.004 0.000 1.133 509 G CA -0.672 44.398 45.100 -0.049 0.000 1.037 509 G HN -0.080 nan 8.290 nan 0.000 0.491 510 L N 0.592 121.816 121.223 0.002 0.000 2.322 510 L HA 0.900 5.241 4.340 0.001 0.000 0.269 510 L C -0.267 176.695 176.870 0.153 0.000 1.012 510 L CA -1.104 53.729 54.840 -0.012 0.000 0.815 510 L CB 1.967 43.950 42.059 -0.127 0.000 1.295 510 L HN 0.907 nan 8.230 nan 0.000 0.438 511 Y N -1.150 119.086 120.300 -0.108 0.000 2.818 511 Y HA 0.694 5.245 4.550 0.001 0.000 0.341 511 Y C -0.867 174.988 175.900 -0.075 0.000 1.283 511 Y CA -1.331 56.726 58.100 -0.072 0.000 1.075 511 Y CB 0.886 39.316 38.460 -0.051 0.000 1.370 511 Y HN 0.573 nan 8.280 nan 0.000 0.448 512 T N -1.065 113.465 114.554 -0.041 0.000 2.924 512 T HA 0.955 5.305 4.350 0.001 0.000 0.291 512 T C -0.133 174.550 174.700 -0.029 0.000 1.045 512 T CA -0.234 61.796 62.100 -0.117 0.000 1.015 512 T CB 1.835 70.690 68.868 -0.023 0.000 1.103 512 T HN 1.661 nan 8.240 nan 0.000 0.496 513 G N 0.393 109.172 108.800 -0.035 0.000 2.753 513 G HA2 0.653 4.613 3.960 0.001 0.000 0.303 513 G HA3 0.653 4.613 3.960 0.001 0.000 0.303 513 G C -1.867 173.064 174.900 0.051 0.000 1.242 513 G CA -1.064 44.060 45.100 0.041 0.000 0.810 513 G HN 0.779 nan 8.290 nan 0.000 0.515 514 K N -0.149 120.304 120.400 0.087 0.000 2.375 514 K HA 0.383 4.704 4.320 0.001 0.000 0.249 514 K C -1.536 175.130 176.600 0.111 0.000 0.942 514 K CA -0.732 55.589 56.287 0.058 0.000 0.806 514 K CB 2.640 35.153 32.500 0.022 0.000 1.227 514 K HN 0.358 nan 8.250 nan 0.000 0.430 515 D N 2.240 122.642 120.400 0.004 0.000 2.896 515 D HA 0.043 4.684 4.640 0.001 0.000 0.240 515 D C -0.264 175.823 176.300 -0.355 0.000 1.193 515 D CA -0.084 53.834 54.000 -0.138 0.000 0.983 515 D CB -0.152 40.677 40.800 0.048 0.000 1.074 515 D HN 0.492 nan 8.370 nan 0.000 0.496 516 N N 0.962 119.489 118.700 -0.288 0.000 2.241 516 N HA 0.065 4.805 4.740 0.001 0.000 0.238 516 N C -0.386 175.027 175.510 -0.162 0.000 1.244 516 N CA -0.569 52.346 53.050 -0.226 0.000 0.880 516 N CB -0.839 37.592 38.487 -0.093 0.000 1.179 516 N HN 0.091 nan 8.380 nan 0.000 0.513 517 F N -0.083 119.841 119.950 -0.043 0.000 2.370 517 F HA 0.584 5.112 4.527 0.000 0.000 0.324 517 F C 1.178 176.947 175.800 -0.050 0.000 1.116 517 F CA -1.260 56.702 58.000 -0.062 0.000 1.123 517 F CB 0.617 39.559 39.000 -0.097 0.000 1.238 517 F HN -0.146 nan 8.300 nan 0.000 0.536 518 R N -0.358 120.223 120.500 0.135 0.000 3.301 518 R HA -0.204 4.136 4.340 0.001 0.000 0.249 518 R C 1.088 177.409 176.300 0.036 0.000 0.964 518 R CA 0.702 56.836 56.100 0.056 0.000 0.653 518 R CB -2.110 28.264 30.300 0.124 0.000 1.043 518 R HN 1.010 nan 8.270 nan 0.000 0.454 519 T N -3.531 111.022 114.554 -0.001 0.000 2.833 519 T HA -0.095 4.255 4.350 0.001 0.000 0.269 519 T C 1.978 176.728 174.700 0.083 0.000 1.054 519 T CA 0.944 63.059 62.100 0.025 0.000 1.135 519 T CB 0.023 68.874 68.868 -0.029 0.000 0.869 519 T HN 0.490 nan 8.240 nan 0.000 0.466 520 A N 1.799 124.624 122.820 0.009 0.000 1.930 520 A HA 0.275 4.595 4.320 0.001 0.000 0.217 520 A C 2.716 180.278 177.584 -0.037 0.000 1.175 520 A CA 1.537 53.563 52.037 -0.019 0.000 0.627 520 A CB -1.549 17.407 19.000 -0.073 0.000 0.815 520 A HN 0.603 nan 8.150 nan 0.000 0.443 521 G N -1.749 106.989 108.800 -0.102 0.000 2.402 521 G HA2 -0.253 3.707 3.960 0.001 0.000 0.216 521 G HA3 -0.253 3.707 3.960 0.001 0.000 0.216 521 G C 1.538 176.515 174.900 0.128 0.000 1.162 521 G CA 1.203 46.282 45.100 -0.034 0.000 0.777 521 G HN 0.584 nan 8.290 nan 0.000 0.539 522 Y N 1.664 122.016 120.300 0.086 0.000 2.128 522 Y HA -0.150 4.401 4.550 0.001 0.000 0.284 522 Y C 2.428 178.411 175.900 0.138 0.000 1.154 522 Y CA 2.200 60.425 58.100 0.208 0.000 1.149 522 Y CB -0.016 38.577 38.460 0.223 0.000 0.976 522 Y HN 0.207 nan 8.280 nan 0.000 0.505 523 D N -0.095 120.415 120.400 0.184 0.000 2.183 523 D HA -0.111 4.529 4.640 0.001 0.000 0.203 523 D C 2.228 178.493 176.300 -0.057 0.000 0.969 523 D CA 1.101 55.141 54.000 0.066 0.000 0.842 523 D CB -0.227 40.653 40.800 0.133 0.000 0.957 523 D HN 0.506 nan 8.370 nan 0.000 0.484 524 A N 0.904 123.672 122.820 -0.087 0.000 1.940 524 A HA -0.168 4.152 4.320 0.001 0.000 0.219 524 A C 2.109 179.486 177.584 -0.345 0.000 1.176 524 A CA 1.086 53.038 52.037 -0.141 0.000 0.631 524 A CB -0.379 18.558 19.000 -0.103 0.000 0.814 524 A HN 0.120 nan 8.150 nan 0.000 0.446 525 L N -2.477 118.377 121.223 -0.615 0.000 2.084 525 L HA 0.186 4.526 4.340 0.001 0.000 0.202 525 L C 1.447 177.716 176.870 -1.003 0.000 1.074 525 L CA 1.640 55.767 54.840 -1.189 0.000 0.757 525 L CB -0.782 40.356 42.059 -1.533 0.000 0.918 525 L HN 0.401 nan 8.230 nan 0.000 0.444 526 F N -1.729 118.026 119.950 -0.325 0.000 2.664 526 F HA 0.218 4.745 4.527 0.000 0.000 0.303 526 F C 2.238 177.944 175.800 -0.157 0.000 1.092 526 F CA -0.124 57.680 58.000 -0.327 0.000 1.305 526 F CB -0.876 37.849 39.000 -0.458 0.000 1.054 526 F HN -0.112 nan 8.300 nan 0.000 0.565 527 S N -0.200 115.485 115.700 -0.024 0.000 2.399 527 S HA -0.166 4.304 4.470 0.001 0.000 0.231 527 S C 1.041 175.646 174.600 0.008 0.000 1.022 527 S CA 1.087 59.306 58.200 0.032 0.000 0.983 527 S CB -0.255 62.955 63.200 0.016 0.000 0.803 527 S HN 0.439 nan 8.310 nan 0.000 0.480 528 N N 0.081 118.750 118.700 -0.052 0.000 2.675 528 N HA 0.185 4.925 4.740 0.001 0.000 0.254 528 N C -2.847 172.537 175.510 -0.210 0.000 1.224 528 N CA -1.489 51.492 53.050 -0.116 0.000 0.777 528 N CB 1.349 39.757 38.487 -0.132 0.000 1.256 528 N HN -0.107 nan 8.380 nan 0.000 0.531 529 P HA -0.097 nan 4.420 nan 0.000 0.216 529 P C -1.630 175.214 177.300 -0.760 0.000 1.157 529 P CA 1.405 64.241 63.100 -0.439 0.000 0.880 529 P CB -0.507 30.808 31.700 -0.642 0.000 0.791 530 P HA -0.094 nan 4.420 nan 0.000 0.223 530 P C 1.368 178.159 177.300 -0.848 0.000 1.144 530 P CA 1.516 63.716 63.100 -1.501 0.000 0.783 530 P CB -0.591 30.527 31.700 -0.971 0.000 0.771 531 S N -1.695 113.648 115.700 -0.596 0.000 2.442 531 S HA -0.056 4.414 4.470 0.001 0.000 0.236 531 S C 0.819 174.886 174.600 -0.889 0.000 1.007 531 S CA 1.033 58.852 58.200 -0.635 0.000 0.965 531 S CB -0.716 62.067 63.200 -0.694 0.000 0.773 531 S HN 0.192 nan 8.310 nan 0.000 0.504 532 F N 0.454 120.216 119.950 -0.314 0.000 2.772 532 F HA 0.423 4.951 4.527 0.001 0.000 0.302 532 F C -0.081 175.772 175.800 0.088 0.000 1.136 532 F CA -0.886 56.923 58.000 -0.319 0.000 1.322 532 F CB 0.148 38.747 39.000 -0.669 0.000 0.967 532 F HN -0.004 nan 8.300 nan 0.000 0.513 533 F N 0.668 120.617 119.950 -0.001 0.000 2.370 533 F HA 0.506 5.033 4.527 0.000 0.000 0.324 533 F C 0.664 176.562 175.800 0.164 0.000 1.116 533 F CA -1.788 56.241 58.000 0.048 0.000 1.123 533 F CB 0.782 39.761 39.000 -0.036 0.000 1.238 533 F HN -0.211 nan 8.300 nan 0.000 0.536 534 V N 0.000 120.063 119.914 0.248 0.000 2.409 534 V HA 0.000 4.120 4.120 0.001 0.000 0.244 534 V CA 0.000 62.392 62.300 0.153 0.000 1.235 534 V CB 0.000 31.870 31.823 0.079 0.000 1.184 534 V HN 0.000 nan 8.190 nan 0.000 0.556