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 1lpm_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 0.000 177.600 177.584 0.026 0.000 1.274 1 A CA 0.000 52.039 52.037 0.003 0.000 0.836 1 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 2 P HA 0.506 nan 4.420 nan 0.000 0.271 2 P C -0.638 176.807 177.300 0.241 0.000 1.218 2 P CA 0.860 64.003 63.100 0.072 0.000 0.780 2 P CB 1.079 32.691 31.700 -0.146 0.000 0.901 3 T N 0.762 115.534 114.554 0.364 0.000 2.916 3 T HA 0.735 5.085 4.350 0.001 0.000 0.305 3 T C -1.190 173.596 174.700 0.145 0.000 1.119 3 T CA -0.414 61.876 62.100 0.317 0.000 1.008 3 T CB 1.818 70.774 68.868 0.148 0.000 1.129 3 T HN 0.417 nan 8.240 nan 0.000 0.480 4 A N 1.233 124.028 122.820 -0.043 0.000 2.556 4 A HA 0.852 5.172 4.320 0.001 0.000 0.294 4 A C -0.778 176.645 177.584 -0.269 0.000 1.091 4 A CA -0.804 50.982 52.037 -0.417 0.000 0.704 4 A CB 1.728 20.014 19.000 -1.189 0.000 1.300 4 A HN 0.649 nan 8.150 nan 0.000 0.406 5 T N 2.583 116.955 114.554 -0.303 0.000 2.934 5 T HA 0.449 4.799 4.350 0.001 0.000 0.328 5 T C 0.219 174.791 174.700 -0.214 0.000 1.068 5 T CA -0.252 61.742 62.100 -0.176 0.000 1.018 5 T CB -0.055 68.743 68.868 -0.116 0.000 1.009 5 T HN 0.495 nan 8.240 nan 0.000 0.471 6 L N 1.423 122.545 121.223 -0.168 0.000 2.456 6 L HA 0.187 4.528 4.340 0.001 0.000 0.266 6 L C 2.214 179.006 176.870 -0.129 0.000 1.258 6 L CA -0.411 54.332 54.840 -0.162 0.000 0.823 6 L CB -0.042 41.978 42.059 -0.066 0.000 1.100 6 L HN 0.670 nan 8.230 nan 0.000 0.531 7 A N 1.335 124.068 122.820 -0.144 0.000 1.908 7 A HA -0.199 4.122 4.320 0.001 0.000 0.218 7 A C 1.623 179.176 177.584 -0.052 0.000 1.181 7 A CA 1.909 53.883 52.037 -0.104 0.000 0.627 7 A CB -0.867 18.063 19.000 -0.117 0.000 0.818 7 A HN 0.943 nan 8.150 nan 0.000 0.445 8 N N -0.398 118.287 118.700 -0.025 0.000 2.485 8 N HA 0.207 4.947 4.740 0.001 0.000 0.199 8 N C 0.990 176.506 175.510 0.010 0.000 1.236 8 N CA 1.275 54.330 53.050 0.008 0.000 0.852 8 N CB -0.611 37.903 38.487 0.045 0.000 1.018 8 N HN 0.873 nan 8.380 nan 0.000 0.457 9 G N -0.636 108.158 108.800 -0.011 0.000 2.234 9 G HA2 -0.295 3.665 3.960 0.001 0.000 0.260 9 G HA3 -0.295 3.665 3.960 0.001 0.000 0.260 9 G C -0.326 174.579 174.900 0.009 0.000 0.987 9 G CA 0.328 45.424 45.100 -0.007 0.000 0.625 9 G HN 0.508 nan 8.290 nan 0.000 0.532 10 D N 0.817 121.237 120.400 0.033 0.000 2.378 10 D HA 0.483 5.123 4.640 0.001 0.000 0.238 10 D C 0.413 176.742 176.300 0.048 0.000 1.180 10 D CA 0.970 55.010 54.000 0.066 0.000 0.895 10 D CB 0.736 41.609 40.800 0.123 0.000 1.192 10 D HN 0.110 nan 8.370 nan 0.000 0.438 11 T N 1.233 115.832 114.554 0.075 0.000 2.890 11 T HA 0.507 4.857 4.350 0.001 0.000 0.295 11 T C 0.162 174.946 174.700 0.139 0.000 0.993 11 T CA -0.661 61.479 62.100 0.065 0.000 0.979 11 T CB 0.369 69.262 68.868 0.042 0.000 0.967 11 T HN 0.296 nan 8.240 nan 0.000 0.441 12 I N 0.006 120.692 120.570 0.192 0.000 2.863 12 I HA 0.859 5.029 4.170 0.001 0.000 0.311 12 I C -0.450 175.899 176.117 0.386 0.000 1.026 12 I CA -0.711 60.801 61.300 0.354 0.000 1.077 12 I CB 2.228 40.597 38.000 0.616 0.000 1.262 12 I HN 0.294 nan 8.210 nan 0.000 0.461 13 T N 2.231 117.022 114.554 0.395 0.000 2.863 13 T HA 0.691 5.041 4.350 0.001 0.000 0.285 13 T C 0.028 174.893 174.700 0.275 0.000 1.009 13 T CA -0.405 61.879 62.100 0.307 0.000 0.989 13 T CB 1.714 70.656 68.868 0.122 0.000 1.004 13 T HN 0.996 nan 8.240 nan 0.000 0.455 14 G N 0.991 109.757 108.800 -0.058 0.000 3.107 14 G HA2 0.720 4.681 3.960 0.001 0.000 0.232 14 G HA3 0.720 4.681 3.960 0.001 0.000 0.232 14 G C -1.551 173.154 174.900 -0.325 0.000 1.339 14 G CA -0.603 44.203 45.100 -0.490 0.000 1.033 14 G HN 0.660 nan 8.290 nan 0.000 0.567 15 L N -0.386 120.621 121.223 -0.361 0.000 2.346 15 L HA 0.633 4.973 4.340 0.001 0.000 0.276 15 L C -0.547 176.205 176.870 -0.195 0.000 1.006 15 L CA -0.806 53.910 54.840 -0.207 0.000 0.817 15 L CB 2.040 44.005 42.059 -0.157 0.000 1.272 15 L HN 0.548 nan 8.230 nan 0.000 0.421 16 N N 3.461 122.088 118.700 -0.121 0.000 2.462 16 N HA 0.511 5.251 4.740 0.001 0.000 0.242 16 N C 0.156 175.628 175.510 -0.063 0.000 1.010 16 N CA 0.205 53.205 53.050 -0.083 0.000 0.939 16 N CB 1.573 40.029 38.487 -0.052 0.000 1.127 16 N HN 0.801 nan 8.380 nan 0.000 0.509 17 A N 4.421 127.206 122.820 -0.059 0.000 2.337 17 A HA 0.220 4.541 4.320 0.001 0.000 0.227 17 A C 1.296 178.862 177.584 -0.030 0.000 1.259 17 A CA -0.203 51.807 52.037 -0.045 0.000 0.870 17 A CB -0.631 18.340 19.000 -0.049 0.000 0.927 17 A HN 0.809 nan 8.150 nan 0.000 0.497 18 I N -1.893 118.663 120.570 -0.024 0.000 4.639 18 I HA -0.392 3.778 4.170 0.001 0.000 0.047 18 I C 1.719 177.831 176.117 -0.008 0.000 0.623 18 I CA 2.311 63.603 61.300 -0.014 0.000 0.827 18 I CB -1.692 36.300 38.000 -0.013 0.000 0.758 18 I HN 0.580 nan 8.210 nan 0.000 0.158 19 I N 1.247 121.811 120.570 -0.011 0.000 3.444 19 I HA 0.135 4.305 4.170 0.001 0.000 0.287 19 I C 0.739 176.855 176.117 -0.002 0.000 1.302 19 I CA 1.102 62.398 61.300 -0.007 0.000 1.368 19 I CB -0.393 37.599 38.000 -0.012 0.000 1.048 19 I HN 0.720 nan 8.210 nan 0.000 0.487 20 N N 0.393 119.090 118.700 -0.005 0.000 3.348 20 N HA 0.235 4.975 4.740 0.001 0.000 0.233 20 N C -1.655 173.850 175.510 -0.008 0.000 1.440 20 N CA -0.779 52.274 53.050 0.006 0.000 0.887 20 N CB 1.337 39.826 38.487 0.005 0.000 1.410 20 N HN 0.114 nan 8.380 nan 0.000 0.502 21 E N 0.072 120.279 120.200 0.012 0.000 2.187 21 E HA 0.663 5.014 4.350 0.001 0.000 0.268 21 E C -1.090 175.482 176.600 -0.048 0.000 0.896 21 E CA -0.905 55.473 56.400 -0.037 0.000 0.766 21 E CB 2.144 31.861 29.700 0.029 0.000 1.142 21 E HN 0.654 nan 8.360 nan 0.000 0.408 22 A N 2.998 125.701 122.820 -0.195 0.000 2.365 22 A HA 0.710 5.030 4.320 0.001 0.000 0.318 22 A C -1.347 176.036 177.584 -0.335 0.000 1.091 22 A CA -0.623 51.321 52.037 -0.155 0.000 0.763 22 A CB 0.554 19.468 19.000 -0.143 0.000 1.248 22 A HN 0.546 nan 8.150 nan 0.000 0.442 23 F N 2.366 122.316 119.950 0.000 0.000 2.443 23 F HA 0.434 4.962 4.527 0.000 0.000 0.369 23 F C -0.310 175.445 175.800 -0.075 0.000 1.090 23 F CA -0.246 57.787 58.000 0.056 0.000 1.129 23 F CB 1.209 40.297 39.000 0.146 0.000 1.367 23 F HN 0.350 nan 8.300 nan 0.000 0.465 24 L N 1.922 123.156 121.223 0.018 0.000 2.322 24 L HA 0.750 5.090 4.340 0.001 0.000 0.279 24 L C 1.019 177.903 176.870 0.024 0.000 1.036 24 L CA -0.887 53.863 54.840 -0.151 0.000 0.807 24 L CB 1.501 43.275 42.059 -0.476 0.000 1.226 24 L HN 0.794 nan 8.230 nan 0.000 0.433 25 G N 2.714 111.511 108.800 -0.006 0.000 2.137 25 G HA2 -0.253 3.707 3.960 0.001 0.000 0.237 25 G HA3 -0.253 3.707 3.960 0.001 0.000 0.237 25 G C -0.007 174.887 174.900 -0.010 0.000 1.002 25 G CA -0.379 44.763 45.100 0.069 0.000 0.702 25 G HN 0.506 nan 8.290 nan 0.000 0.515 26 I N 1.715 122.110 120.570 -0.292 0.000 2.517 26 I HA 0.231 4.402 4.170 0.001 0.000 0.285 26 I C -1.817 174.079 176.117 -0.368 0.000 1.106 26 I CA -1.884 59.054 61.300 -0.605 0.000 1.402 26 I CB 0.846 38.470 38.000 -0.626 0.000 1.399 26 I HN -0.098 nan 8.210 nan 0.000 0.535 27 P HA 0.051 nan 4.420 nan 0.000 0.276 27 P C -0.076 176.976 177.300 -0.414 0.000 1.243 27 P CA -0.097 62.725 63.100 -0.463 0.000 0.768 27 P CB 0.303 31.530 31.700 -0.788 0.000 0.856 28 F N 1.783 121.507 119.950 -0.377 0.000 2.704 28 F HA 0.728 5.256 4.527 0.001 0.000 0.304 28 F C 0.235 176.045 175.800 0.018 0.000 1.094 28 F CA -0.651 57.193 58.000 -0.259 0.000 1.275 28 F CB 0.089 38.760 39.000 -0.548 0.000 1.073 28 F HN 0.242 nan 8.300 nan 0.000 0.586 29 A N 0.022 122.605 122.820 -0.396 0.000 2.594 29 A HA 0.578 4.898 4.320 0.001 0.000 0.291 29 A C -0.833 176.776 177.584 0.041 0.000 1.105 29 A CA -0.841 51.106 52.037 -0.150 0.000 0.694 29 A CB 0.964 19.738 19.000 -0.377 0.000 1.291 29 A HN 0.054 nan 8.150 nan 0.000 0.410 30 E N 0.807 121.072 120.200 0.108 0.000 2.398 30 E HA 0.263 4.613 4.350 0.001 0.000 0.263 30 E C -2.333 174.276 176.600 0.015 0.000 1.046 30 E CA -1.334 55.131 56.400 0.108 0.000 0.908 30 E CB -0.010 29.713 29.700 0.040 0.000 0.963 30 E HN 0.247 nan 8.360 nan 0.000 0.431 31 P HA 0.030 nan 4.420 nan 0.000 0.266 31 P C -2.136 175.146 177.300 -0.031 0.000 1.215 31 P CA -0.813 62.273 63.100 -0.024 0.000 0.763 31 P CB 0.069 31.765 31.700 -0.005 0.000 0.806 32 P HA -0.013 nan 4.420 nan 0.000 0.237 32 P C -0.155 177.113 177.300 -0.054 0.000 1.723 32 P CA 0.191 63.266 63.100 -0.043 0.000 0.882 32 P CB -0.173 31.505 31.700 -0.038 0.000 1.810 33 V N -3.483 116.404 119.914 -0.045 0.000 2.966 33 V HA 0.881 5.001 4.120 0.001 0.000 0.317 33 V C 0.935 177.004 176.094 -0.042 0.000 1.070 33 V CA 0.184 62.456 62.300 -0.046 0.000 1.008 33 V CB 0.702 32.506 31.823 -0.032 0.000 1.070 33 V HN 0.507 nan 8.190 nan 0.000 0.457 34 G N 2.328 111.103 108.800 -0.041 0.000 2.561 34 G HA2 -0.324 3.636 3.960 0.001 0.000 0.289 34 G HA3 -0.324 3.636 3.960 0.001 0.000 0.289 34 G C 0.462 175.339 174.900 -0.038 0.000 1.169 34 G CA 0.680 45.763 45.100 -0.028 0.000 0.980 34 G HN 1.050 nan 8.290 nan 0.000 0.550 35 N N 0.971 119.662 118.700 -0.015 0.000 2.521 35 N HA 0.118 4.859 4.740 0.001 0.000 0.188 35 N C 1.935 177.442 175.510 -0.006 0.000 1.146 35 N CA 0.474 53.522 53.050 -0.002 0.000 0.893 35 N CB 0.009 38.505 38.487 0.015 0.000 0.975 35 N HN 0.461 nan 8.380 nan 0.000 0.451 36 L N -0.038 121.170 121.223 -0.025 0.000 2.591 36 L HA 0.131 4.472 4.340 0.001 0.000 0.228 36 L C 0.886 177.724 176.870 -0.053 0.000 1.133 36 L CA -0.020 54.809 54.840 -0.019 0.000 0.880 36 L CB 0.125 42.175 42.059 -0.014 0.000 1.033 36 L HN -0.034 nan 8.230 nan 0.000 0.450 37 R N -0.010 120.405 120.500 -0.142 0.000 2.623 37 R HA -0.039 4.301 4.340 0.001 0.000 0.271 37 R C 0.386 176.523 176.300 -0.271 0.000 1.043 37 R CA 0.128 56.007 56.100 -0.368 0.000 1.083 37 R CB 0.268 30.155 30.300 -0.688 0.000 0.974 37 R HN 0.031 nan 8.270 nan 0.000 0.436 38 F N -1.184 118.815 119.950 0.082 0.000 2.890 38 F HA -0.371 4.156 4.527 0.000 0.000 0.346 38 F C 0.231 176.060 175.800 0.049 0.000 0.660 38 F CA 1.042 59.079 58.000 0.061 0.000 1.091 38 F CB -1.578 37.462 39.000 0.066 0.000 1.535 38 F HN 0.515 nan 8.300 nan 0.000 0.314 39 K N 0.639 121.130 120.400 0.151 0.000 2.132 39 K HA 0.402 4.723 4.320 0.001 0.000 0.241 39 K C 0.003 176.657 176.600 0.089 0.000 1.000 39 K CA -1.140 55.215 56.287 0.113 0.000 0.911 39 K CB 0.617 33.166 32.500 0.082 0.000 1.093 39 K HN -0.207 nan 8.250 nan 0.000 0.460 40 D N 2.915 123.369 120.400 0.089 0.000 2.478 40 D HA 0.006 4.646 4.640 0.001 0.000 0.234 40 D C -2.095 174.250 176.300 0.075 0.000 1.154 40 D CA -0.510 53.546 54.000 0.093 0.000 0.874 40 D CB 0.121 40.983 40.800 0.102 0.000 1.198 40 D HN 0.228 nan 8.370 nan 0.000 0.455 41 P HA 0.076 nan 4.420 nan 0.000 0.275 41 P C -0.783 176.557 177.300 0.066 0.000 1.227 41 P CA -0.381 62.751 63.100 0.053 0.000 0.781 41 P CB 0.822 32.558 31.700 0.061 0.000 0.906 42 V N 5.389 125.331 119.914 0.048 0.000 2.427 42 V HA 0.259 4.379 4.120 0.001 0.000 0.286 42 V C -2.016 174.130 176.094 0.086 0.000 1.034 42 V CA -2.093 60.245 62.300 0.064 0.000 0.893 42 V CB 1.047 32.896 31.823 0.044 0.000 0.982 42 V HN 0.539 nan 8.190 nan 0.000 0.452 43 P HA -0.007 nan 4.420 nan 0.000 0.267 43 P C -0.889 176.525 177.300 0.190 0.000 1.200 43 P CA 0.009 63.218 63.100 0.180 0.000 0.772 43 P CB 0.201 32.007 31.700 0.177 0.000 0.855 44 Y N 2.646 123.008 120.300 0.103 0.000 2.465 44 Y HA 0.241 4.792 4.550 0.001 0.000 0.331 44 Y C 0.186 176.148 175.900 0.102 0.000 1.102 44 Y CA 0.538 58.688 58.100 0.083 0.000 1.358 44 Y CB 0.283 38.800 38.460 0.095 0.000 1.213 44 Y HN 0.285 nan 8.280 nan 0.000 0.525 45 S N 4.479 119.980 115.700 -0.332 0.000 2.669 45 S HA 0.908 5.378 4.470 0.001 0.000 0.315 45 S C -0.166 174.172 174.600 -0.437 0.000 1.106 45 S CA -0.084 57.981 58.200 -0.224 0.000 1.107 45 S CB 1.074 64.209 63.200 -0.108 0.000 0.990 45 S HN 1.159 nan 8.310 nan 0.000 0.471 46 G N 0.868 109.506 108.800 -0.271 0.000 2.341 46 G HA2 0.549 4.510 3.960 0.001 0.000 0.299 46 G HA3 0.549 4.510 3.960 0.001 0.000 0.299 46 G C -1.631 173.325 174.900 0.092 0.000 1.274 46 G CA -0.625 44.374 45.100 -0.168 0.000 0.853 46 G HN 0.743 nan 8.290 nan 0.000 0.493 47 S N -0.963 114.832 115.700 0.159 0.000 2.482 47 S HA 0.654 5.125 4.470 0.001 0.000 0.303 47 S C 0.481 175.240 174.600 0.266 0.000 1.091 47 S CA -0.700 57.614 58.200 0.190 0.000 1.057 47 S CB 1.100 64.371 63.200 0.117 0.000 1.031 47 S HN 0.498 nan 8.310 nan 0.000 0.485 48 L N 1.933 123.324 121.223 0.281 0.000 2.858 48 L HA 0.321 4.662 4.340 0.001 0.000 0.251 48 L C 0.180 177.207 176.870 0.263 0.000 1.149 48 L CA -0.234 54.814 54.840 0.348 0.000 0.955 48 L CB 0.102 42.419 42.059 0.430 0.000 1.289 48 L HN 0.547 nan 8.230 nan 0.000 0.542 49 D N 1.559 122.066 120.400 0.178 0.000 2.531 49 D HA 0.103 4.743 4.640 0.001 0.000 0.239 49 D C 1.383 177.745 176.300 0.102 0.000 1.144 49 D CA 1.536 55.612 54.000 0.126 0.000 0.869 49 D CB 0.925 41.779 40.800 0.089 0.000 1.160 49 D HN 0.334 nan 8.370 nan 0.000 0.484 50 G N 3.088 111.943 108.800 0.092 0.000 2.187 50 G HA2 -0.305 3.655 3.960 0.001 0.000 0.261 50 G HA3 -0.305 3.655 3.960 0.001 0.000 0.261 50 G C 0.300 175.214 174.900 0.024 0.000 1.000 50 G CA 0.518 45.652 45.100 0.057 0.000 0.718 50 G HN 0.610 nan 8.290 nan 0.000 0.519 51 Q N -0.473 119.345 119.800 0.030 0.000 2.222 51 Q HA 0.517 4.858 4.340 0.001 0.000 0.252 51 Q C 0.139 175.956 176.000 -0.304 0.000 0.926 51 Q CA -0.441 55.266 55.803 -0.161 0.000 0.899 51 Q CB 1.235 29.840 28.738 -0.221 0.000 1.250 51 Q HN 0.289 nan 8.270 nan 0.000 0.441 52 K N 1.603 121.734 120.400 -0.448 0.000 2.156 52 K HA 0.382 4.703 4.320 0.001 0.000 0.271 52 K C -1.136 175.072 176.600 -0.652 0.000 0.995 52 K CA -0.278 55.799 56.287 -0.349 0.000 0.890 52 K CB 0.830 33.221 32.500 -0.182 0.000 1.073 52 K HN 0.383 nan 8.250 nan 0.000 0.454 53 F N 1.427 121.419 119.950 0.070 0.000 2.564 53 F HA 0.124 4.651 4.527 0.000 0.000 0.361 53 F C 0.878 176.660 175.800 -0.030 0.000 1.161 53 F CA -0.714 57.317 58.000 0.053 0.000 1.198 53 F CB 1.311 40.404 39.000 0.156 0.000 1.424 53 F HN 0.495 nan 8.300 nan 0.000 0.517 54 T N -2.710 111.861 114.554 0.029 0.000 3.132 54 T HA 0.384 4.734 4.350 0.001 0.000 0.274 54 T C 0.137 174.795 174.700 -0.070 0.000 1.011 54 T CA 0.021 62.092 62.100 -0.048 0.000 0.899 54 T CB -0.117 68.711 68.868 -0.067 0.000 1.089 54 T HN 0.313 nan 8.240 nan 0.000 0.543 55 S N -0.137 115.532 115.700 -0.052 0.000 2.537 55 S HA 0.608 5.078 4.470 0.001 0.000 0.271 55 S C -1.239 173.340 174.600 -0.035 0.000 1.148 55 S CA -1.092 57.073 58.200 -0.058 0.000 0.868 55 S CB 0.528 63.729 63.200 0.002 0.000 1.115 55 S HN 0.192 nan 8.310 nan 0.000 0.461 56 Y N 1.478 121.787 120.300 0.014 0.000 2.480 56 Y HA 0.476 5.026 4.550 0.001 0.000 0.338 56 Y C 1.604 177.505 175.900 0.002 0.000 1.220 56 Y CA 1.230 59.337 58.100 0.012 0.000 1.430 56 Y CB 0.392 38.846 38.460 -0.010 0.000 1.311 56 Y HN 1.062 nan 8.280 nan 0.000 0.575 57 G N 2.530 111.432 108.800 0.170 0.000 2.525 57 G HA2 0.435 4.396 3.960 0.001 0.000 0.287 57 G HA3 0.435 4.396 3.960 0.001 0.000 0.287 57 G C -2.539 172.386 174.900 0.042 0.000 1.350 57 G CA -1.368 43.781 45.100 0.081 0.000 1.039 57 G HN 0.449 nan 8.290 nan 0.000 0.513 58 P HA 0.239 nan 4.420 nan 0.000 0.274 58 P C -0.211 177.055 177.300 -0.058 0.000 1.231 58 P CA -0.264 62.809 63.100 -0.046 0.000 0.790 58 P CB 1.294 32.958 31.700 -0.059 0.000 0.951 59 S N 0.307 115.950 115.700 -0.095 0.000 2.624 59 S HA 0.206 4.676 4.470 0.001 0.000 0.263 59 S C 0.626 175.153 174.600 -0.121 0.000 1.287 59 S CA -0.567 57.566 58.200 -0.111 0.000 0.990 59 S CB 0.145 63.250 63.200 -0.158 0.000 0.950 59 S HN 0.524 nan 8.310 nan 0.000 0.561 60 c N 2.473 121.004 118.600 -0.115 0.000 2.705 60 c HA 0.235 4.805 4.570 0.001 0.000 0.348 60 c C 1.131 175.052 174.090 -0.282 0.000 1.386 60 c CA -0.813 55.408 56.329 -0.179 0.000 2.361 60 c CB -0.595 41.848 42.510 -0.111 0.000 2.486 60 c HN 0.677 nan 8.230 nan 0.000 0.728 61 M N 2.064 121.330 119.600 -0.558 0.000 2.250 61 M HA 0.087 4.567 4.480 0.001 0.000 0.337 61 M C 0.191 176.217 176.300 -0.457 0.000 1.161 61 M CA 1.129 55.961 55.300 -0.780 0.000 1.088 61 M CB -0.128 31.359 32.600 -1.855 0.000 1.639 61 M HN 0.636 nan 8.290 nan 0.000 0.447 62 Q N 1.717 121.396 119.800 -0.202 0.000 2.257 62 Q HA 0.422 4.763 4.340 0.001 0.000 0.262 62 Q C -0.670 175.439 176.000 0.182 0.000 0.997 62 Q CA -0.502 55.327 55.803 0.043 0.000 0.873 62 Q CB 2.253 31.034 28.738 0.071 0.000 1.312 62 Q HN 0.604 nan 8.270 nan 0.000 0.450 63 Q N 1.568 121.512 119.800 0.238 0.000 2.274 63 Q HA 0.201 4.541 4.340 0.001 0.000 0.260 63 Q C -0.509 175.535 176.000 0.074 0.000 0.974 63 Q CA -0.652 55.285 55.803 0.224 0.000 0.876 63 Q CB 1.159 30.051 28.738 0.257 0.000 1.297 63 Q HN 0.449 nan 8.270 nan 0.000 0.446 64 N N 4.453 123.171 118.700 0.030 0.000 2.427 64 N HA 0.048 4.788 4.740 0.001 0.000 0.269 64 N C -2.053 173.361 175.510 -0.160 0.000 1.235 64 N CA -1.337 51.676 53.050 -0.061 0.000 0.934 64 N CB 1.143 39.603 38.487 -0.044 0.000 1.121 64 N HN 0.483 nan 8.380 nan 0.000 0.480 65 P HA -0.127 nan 4.420 nan 0.000 0.217 65 P C 0.145 177.211 177.300 -0.389 0.000 1.148 65 P CA 1.300 63.966 63.100 -0.723 0.000 0.834 65 P CB 0.309 31.582 31.700 -0.711 0.000 0.783 66 E N -0.679 119.407 120.200 -0.191 0.000 2.419 66 E HA 0.173 4.523 4.350 0.001 0.000 0.190 66 E C 1.074 177.633 176.600 -0.068 0.000 1.040 66 E CA -0.055 56.289 56.400 -0.093 0.000 0.900 66 E CB -0.122 29.541 29.700 -0.063 0.000 1.054 66 E HN 0.152 nan 8.360 nan 0.000 0.462 67 G N 0.663 109.424 108.800 -0.065 0.000 2.594 67 G HA2 0.292 4.252 3.960 0.001 0.000 0.243 67 G HA3 0.292 4.252 3.960 0.001 0.000 0.243 67 G C -0.035 174.848 174.900 -0.028 0.000 1.229 67 G CA 0.338 45.423 45.100 -0.026 0.000 0.843 67 G HN 0.076 nan 8.290 nan 0.000 0.578 68 T N -0.951 113.579 114.554 -0.040 0.000 2.800 68 T HA 0.168 4.518 4.350 0.001 0.000 0.327 68 T C 0.490 175.128 174.700 -0.103 0.000 1.838 68 T CA -0.089 61.933 62.100 -0.131 0.000 1.024 68 T CB 0.033 68.738 68.868 -0.272 0.000 1.755 68 T HN 0.887 nan 8.240 nan 0.000 0.507 69 Y N 0.554 120.870 120.300 0.027 0.000 2.571 69 Y HA 0.462 5.012 4.550 0.001 0.000 0.294 69 Y C 0.762 176.668 175.900 0.009 0.000 1.141 69 Y CA -0.130 57.979 58.100 0.014 0.000 1.308 69 Y CB -0.448 38.019 38.460 0.012 0.000 1.002 69 Y HN 0.493 nan 8.280 nan 0.000 0.551 70 E N 1.174 121.226 120.200 -0.246 0.000 2.345 70 E HA 0.208 4.558 4.350 0.001 0.000 0.259 70 E C -0.771 175.786 176.600 -0.071 0.000 1.117 70 E CA -0.598 55.727 56.400 -0.125 0.000 0.913 70 E CB 0.770 30.331 29.700 -0.232 0.000 1.057 70 E HN 0.140 nan 8.360 nan 0.000 0.432 71 E N 0.997 121.173 120.200 -0.040 0.000 2.183 71 E HA 0.284 4.635 4.350 0.001 0.000 0.271 71 E C -1.282 175.292 176.600 -0.043 0.000 0.919 71 E CA -0.465 55.916 56.400 -0.032 0.000 0.781 71 E CB 0.974 30.667 29.700 -0.013 0.000 1.140 71 E HN 0.516 nan 8.360 nan 0.000 0.402 72 N N 1.667 120.341 118.700 -0.043 0.000 3.179 72 N HA 0.128 4.868 4.740 0.001 0.000 0.250 72 N C -0.503 174.984 175.510 -0.038 0.000 1.507 72 N CA -0.755 52.269 53.050 -0.044 0.000 0.883 72 N CB 0.070 38.525 38.487 -0.053 0.000 1.435 72 N HN 0.343 nan 8.380 nan 0.000 0.532 73 L N -0.068 121.133 121.223 -0.037 0.000 2.005 73 L HA 0.282 4.623 4.340 0.001 0.000 0.207 73 L C -1.088 175.760 176.870 -0.036 0.000 1.072 73 L CA 1.955 56.775 54.840 -0.034 0.000 0.744 73 L CB -1.471 40.569 42.059 -0.032 0.000 0.895 73 L HN 0.677 nan 8.230 nan 0.000 0.433 74 P HA -0.183 nan 4.420 nan 0.000 0.218 74 P C 1.416 178.689 177.300 -0.044 0.000 1.149 74 P CA 1.417 64.496 63.100 -0.035 0.000 0.817 74 P CB -0.056 31.628 31.700 -0.026 0.000 0.785 75 K N 0.133 120.506 120.400 -0.044 0.000 2.002 75 K HA -0.150 4.170 4.320 0.001 0.000 0.209 75 K C 2.016 178.588 176.600 -0.047 0.000 1.048 75 K CA 1.647 57.906 56.287 -0.048 0.000 0.930 75 K CB -0.748 31.725 32.500 -0.045 0.000 0.714 75 K HN -0.057 nan 8.250 nan 0.000 0.438 76 A N 1.202 123.997 122.820 -0.041 0.000 1.892 76 A HA -0.185 4.135 4.320 0.001 0.000 0.218 76 A C 2.382 179.938 177.584 -0.047 0.000 1.188 76 A CA 2.282 54.296 52.037 -0.039 0.000 0.631 76 A CB -1.040 17.941 19.000 -0.032 0.000 0.822 76 A HN 0.552 nan 8.150 nan 0.000 0.447 77 A N -0.520 122.271 122.820 -0.049 0.000 1.877 77 A HA -0.059 4.262 4.320 0.001 0.000 0.216 77 A C 2.198 179.735 177.584 -0.077 0.000 1.186 77 A CA 1.563 53.567 52.037 -0.055 0.000 0.620 77 A CB -0.610 18.362 19.000 -0.047 0.000 0.822 77 A HN 0.477 nan 8.150 nan 0.000 0.443 78 L N -1.032 120.139 121.223 -0.086 0.000 2.141 78 L HA -0.177 4.163 4.340 0.001 0.000 0.209 78 L C 2.260 179.039 176.870 -0.153 0.000 1.094 78 L CA 1.808 56.574 54.840 -0.124 0.000 0.763 78 L CB -0.537 41.455 42.059 -0.111 0.000 0.908 78 L HN 0.470 nan 8.230 nan 0.000 0.437 79 D N -0.121 120.215 120.400 -0.107 0.000 2.117 79 D HA -0.196 4.444 4.640 0.001 0.000 0.198 79 D C 2.274 178.513 176.300 -0.102 0.000 0.982 79 D CA 0.570 54.512 54.000 -0.096 0.000 0.828 79 D CB 0.164 40.931 40.800 -0.055 0.000 0.967 79 D HN 0.103 nan 8.370 nan 0.000 0.464 80 L N 0.243 121.414 121.223 -0.087 0.000 2.012 80 L HA -0.147 4.194 4.340 0.001 0.000 0.210 80 L C 2.012 178.824 176.870 -0.098 0.000 1.073 80 L CA 1.349 56.146 54.840 -0.071 0.000 0.748 80 L CB -0.503 41.523 42.059 -0.056 0.000 0.891 80 L HN 0.071 nan 8.230 nan 0.000 0.431 81 V N 0.234 120.059 119.914 -0.148 0.000 2.283 81 V HA -0.315 3.805 4.120 0.001 0.000 0.243 81 V C 2.698 178.547 176.094 -0.408 0.000 1.039 81 V CA 2.036 64.210 62.300 -0.211 0.000 1.016 81 V CB -0.374 31.314 31.823 -0.226 0.000 0.650 81 V HN 0.405 nan 8.190 nan 0.000 0.449 82 M N -0.513 118.762 119.600 -0.541 0.000 2.213 82 M HA -0.171 4.309 4.480 0.001 0.000 0.263 82 M C 1.804 177.954 176.300 -0.249 0.000 1.062 82 M CA 1.398 56.260 55.300 -0.729 0.000 1.105 82 M CB -0.285 32.029 32.600 -0.476 0.000 1.385 82 M HN 0.313 nan 8.290 nan 0.000 0.417 83 Q N 0.090 119.816 119.800 -0.122 0.000 2.320 83 Q HA 0.144 4.484 4.340 0.001 0.000 0.201 83 Q C 0.589 176.602 176.000 0.021 0.000 0.910 83 Q CA 0.084 55.878 55.803 -0.016 0.000 0.946 83 Q CB -0.330 28.398 28.738 -0.017 0.000 1.062 83 Q HN 0.466 nan 8.270 nan 0.000 0.503 84 S N -0.332 115.386 115.700 0.029 0.000 2.580 84 S HA 0.240 4.710 4.470 0.001 0.000 0.274 84 S C 0.957 175.617 174.600 0.100 0.000 1.329 84 S CA -0.523 57.712 58.200 0.059 0.000 1.036 84 S CB 1.344 64.578 63.200 0.056 0.000 0.919 84 S HN -0.169 nan 8.310 nan 0.000 0.515 85 K N 2.006 122.442 120.400 0.061 0.000 2.147 85 K HA 0.032 4.352 4.320 0.001 0.000 0.205 85 K C 1.829 178.459 176.600 0.051 0.000 1.049 85 K CA 1.127 57.443 56.287 0.049 0.000 0.936 85 K CB -0.843 31.673 32.500 0.026 0.000 0.722 85 K HN 0.536 nan 8.250 nan 0.000 0.446 86 V N 0.258 120.210 119.914 0.063 0.000 2.358 86 V HA -0.203 3.918 4.120 0.001 0.000 0.246 86 V C 1.894 178.026 176.094 0.062 0.000 1.047 86 V CA 1.635 63.965 62.300 0.050 0.000 1.035 86 V CB -0.483 31.372 31.823 0.054 0.000 0.658 86 V HN 0.203 nan 8.190 nan 0.000 0.452 87 F N 1.200 121.134 119.950 -0.027 0.000 2.146 87 F HA -0.132 4.395 4.527 0.000 0.000 0.298 87 F C 2.423 178.202 175.800 -0.036 0.000 1.096 87 F CA 1.853 59.833 58.000 -0.033 0.000 1.275 87 F CB -0.136 38.845 39.000 -0.031 0.000 1.008 87 F HN 0.181 nan 8.300 nan 0.000 0.480 88 E N -0.062 120.214 120.200 0.127 0.000 2.338 88 E HA -0.133 4.217 4.350 0.001 0.000 0.197 88 E C 2.148 178.709 176.600 -0.065 0.000 1.007 88 E CA 0.621 57.037 56.400 0.027 0.000 0.849 88 E CB -0.212 29.534 29.700 0.075 0.000 0.774 88 E HN 0.525 nan 8.360 nan 0.000 0.506 89 A N 0.713 123.494 122.820 -0.066 0.000 1.861 89 A HA -0.051 4.270 4.320 0.001 0.000 0.212 89 A C 2.405 179.917 177.584 -0.120 0.000 1.199 89 A CA 0.582 52.577 52.037 -0.071 0.000 0.613 89 A CB -0.338 18.637 19.000 -0.042 0.000 0.846 89 A HN 0.097 nan 8.150 nan 0.000 0.446 90 V N -0.557 119.256 119.914 -0.168 0.000 2.548 90 V HA -0.015 4.105 4.120 0.001 0.000 0.249 90 V C 1.407 177.322 176.094 -0.298 0.000 1.055 90 V CA 1.826 64.002 62.300 -0.206 0.000 1.065 90 V CB -0.056 31.647 31.823 -0.201 0.000 0.681 90 V HN 0.462 nan 8.190 nan 0.000 0.462 91 S N 1.286 116.714 115.700 -0.453 0.000 2.158 91 S HA 0.357 4.828 4.470 0.001 0.000 0.160 91 S C -2.650 171.745 174.600 -0.342 0.000 1.693 91 S CA -1.165 56.739 58.200 -0.493 0.000 1.251 91 S CB 0.629 63.321 63.200 -0.847 0.000 1.153 91 S HN 0.286 nan 8.310 nan 0.000 0.439 92 P HA 0.276 nan 4.420 nan 0.000 0.276 92 P C -0.656 176.579 177.300 -0.108 0.000 1.230 92 P CA -0.118 62.910 63.100 -0.119 0.000 0.776 92 P CB 1.185 32.833 31.700 -0.087 0.000 0.888 93 S N 1.085 116.733 115.700 -0.087 0.000 2.568 93 S HA 0.770 5.241 4.470 0.001 0.000 0.293 93 S C -0.558 173.967 174.600 -0.126 0.000 1.089 93 S CA -0.816 57.317 58.200 -0.111 0.000 0.945 93 S CB 1.782 64.918 63.200 -0.108 0.000 1.077 93 S HN 0.537 nan 8.310 nan 0.000 0.485 94 S N -0.296 115.308 115.700 -0.161 0.000 2.565 94 S HA 0.357 4.827 4.470 0.001 0.000 0.269 94 S C 0.068 174.540 174.600 -0.214 0.000 1.153 94 S CA -0.626 57.477 58.200 -0.161 0.000 0.835 94 S CB 1.590 64.730 63.200 -0.100 0.000 1.122 94 S HN 0.795 nan 8.310 nan 0.000 0.462 95 E N 0.708 120.780 120.200 -0.213 0.000 2.208 95 E HA -0.073 4.277 4.350 0.001 0.000 0.193 95 E C -0.320 176.200 176.600 -0.133 0.000 0.988 95 E CA 0.594 56.865 56.400 -0.215 0.000 0.828 95 E CB 0.109 29.715 29.700 -0.157 0.000 0.763 95 E HN 0.499 nan 8.360 nan 0.000 0.478 96 D N 0.233 120.571 120.400 -0.103 0.000 2.468 96 D HA 0.018 4.658 4.640 0.001 0.000 0.218 96 D C 0.045 176.294 176.300 -0.085 0.000 1.155 96 D CA -0.392 53.561 54.000 -0.079 0.000 0.924 96 D CB 0.150 40.921 40.800 -0.048 0.000 1.029 96 D HN 0.110 nan 8.370 nan 0.000 0.515 97 c N 2.041 120.583 118.600 -0.098 0.000 4.015 97 c HA 0.361 4.932 4.570 0.001 0.000 0.323 97 c C 0.323 174.372 174.090 -0.069 0.000 1.724 97 c CA -0.581 55.703 56.329 -0.075 0.000 1.828 97 c CB -1.072 41.390 42.510 -0.080 0.000 3.083 97 c HN 0.366 nan 8.230 nan 0.000 0.640 98 L N 4.425 125.547 121.223 -0.169 0.000 2.376 98 L HA 0.336 4.676 4.340 0.001 0.000 0.250 98 L C 0.954 177.563 176.870 -0.434 0.000 1.335 98 L CA 1.045 55.671 54.840 -0.357 0.000 1.214 98 L CB -1.143 40.539 42.059 -0.628 0.000 1.395 98 L HN 0.683 nan 8.230 nan 0.000 0.424 99 T N -1.009 113.553 114.554 0.013 0.000 2.942 99 T HA 0.779 5.130 4.350 0.001 0.000 0.289 99 T C -0.240 174.599 174.700 0.231 0.000 1.044 99 T CA -0.773 61.379 62.100 0.086 0.000 1.023 99 T CB 2.315 71.189 68.868 0.009 0.000 1.123 99 T HN 0.149 nan 8.240 nan 0.000 0.512 100 I N 0.786 121.327 120.570 -0.047 0.000 2.689 100 I HA 0.556 4.727 4.170 0.001 0.000 0.299 100 I C -1.641 174.329 176.117 -0.244 0.000 1.059 100 I CA -1.146 59.985 61.300 -0.281 0.000 1.055 100 I CB 2.015 39.521 38.000 -0.823 0.000 1.243 100 I HN 0.891 nan 8.210 nan 0.000 0.425 101 N N 5.620 124.239 118.700 -0.135 0.000 2.354 101 N HA 0.561 5.302 4.740 0.001 0.000 0.287 101 N C -1.617 173.859 175.510 -0.057 0.000 1.016 101 N CA -0.624 52.387 53.050 -0.066 0.000 0.871 101 N CB 2.436 40.971 38.487 0.080 0.000 1.299 101 N HN 0.135 nan 8.380 nan 0.000 0.482 102 V N 2.033 121.895 119.914 -0.086 0.000 2.448 102 V HA 0.557 4.677 4.120 0.001 0.000 0.295 102 V C -0.437 175.712 176.094 0.091 0.000 1.025 102 V CA -0.722 61.521 62.300 -0.095 0.000 0.859 102 V CB 1.547 33.049 31.823 -0.535 0.000 0.988 102 V HN 0.391 nan 8.190 nan 0.000 0.431 103 V N 6.039 126.029 119.914 0.128 0.000 2.577 103 V HA 0.695 4.816 4.120 0.001 0.000 0.303 103 V C -0.168 176.021 176.094 0.158 0.000 1.042 103 V CA -0.783 61.600 62.300 0.137 0.000 0.872 103 V CB 1.966 33.837 31.823 0.080 0.000 0.998 103 V HN 1.049 nan 8.190 nan 0.000 0.423 104 R N 3.600 124.200 120.500 0.166 0.000 2.867 104 R HA 0.770 5.110 4.340 0.001 0.000 0.268 104 R C -3.190 173.178 176.300 0.114 0.000 1.014 104 R CA -2.298 53.896 56.100 0.156 0.000 0.946 104 R CB 1.637 32.063 30.300 0.210 0.000 1.208 104 R HN 0.317 nan 8.270 nan 0.000 0.477 105 P HA 0.102 nan 4.420 nan 0.000 0.269 105 P C -2.375 174.968 177.300 0.072 0.000 1.209 105 P CA -1.028 62.114 63.100 0.069 0.000 0.776 105 P CB 0.191 31.929 31.700 0.062 0.000 0.876 106 P HA 0.013 nan 4.420 nan 0.000 0.268 106 P C 0.742 178.074 177.300 0.053 0.000 1.205 106 P CA 0.789 63.918 63.100 0.049 0.000 0.771 106 P CB 0.373 32.090 31.700 0.029 0.000 0.858 107 G N 1.712 110.548 108.800 0.060 0.000 2.194 107 G HA2 -0.194 3.766 3.960 0.001 0.000 0.236 107 G HA3 -0.194 3.766 3.960 0.001 0.000 0.236 107 G C 0.254 175.194 174.900 0.066 0.000 0.987 107 G CA 0.044 45.177 45.100 0.055 0.000 0.635 107 G HN 0.637 nan 8.290 nan 0.000 0.520 108 T N 1.441 116.048 114.554 0.088 0.000 2.928 108 T HA 0.504 4.855 4.350 0.001 0.000 0.305 108 T C 0.291 175.049 174.700 0.097 0.000 1.035 108 T CA 0.619 62.776 62.100 0.095 0.000 1.145 108 T CB 1.457 70.398 68.868 0.122 0.000 0.963 108 T HN 0.339 nan 8.240 nan 0.000 0.545 109 K N 0.970 121.411 120.400 0.068 0.000 2.395 109 K HA 0.716 5.036 4.320 0.001 0.000 0.247 109 K C -0.367 176.247 176.600 0.024 0.000 0.973 109 K CA -0.757 55.556 56.287 0.045 0.000 0.828 109 K CB 1.527 34.045 32.500 0.030 0.000 1.272 109 K HN 0.673 nan 8.250 nan 0.000 0.439 110 A N 0.516 123.329 122.820 -0.011 0.000 2.540 110 A HA 0.432 4.752 4.320 0.001 0.000 0.239 110 A C 1.127 178.702 177.584 -0.015 0.000 1.061 110 A CA 1.291 53.307 52.037 -0.035 0.000 0.758 110 A CB -0.935 18.019 19.000 -0.077 0.000 0.991 110 A HN 0.996 nan 8.150 nan 0.000 0.502 111 G N 0.653 109.448 108.800 -0.009 0.000 2.213 111 G HA2 -0.007 3.953 3.960 0.001 0.000 0.236 111 G HA3 -0.007 3.953 3.960 0.001 0.000 0.236 111 G C 1.265 176.170 174.900 0.009 0.000 0.991 111 G CA 1.023 46.121 45.100 -0.003 0.000 0.629 111 G HN 1.976 nan 8.290 nan 0.000 0.517 112 A N 0.673 123.505 122.820 0.020 0.000 1.978 112 A HA 0.096 4.416 4.320 0.001 0.000 0.220 112 A C 1.682 179.281 177.584 0.024 0.000 1.170 112 A CA 2.052 54.105 52.037 0.027 0.000 0.636 112 A CB -0.466 18.558 19.000 0.041 0.000 0.810 112 A HN 1.464 nan 8.150 nan 0.000 0.448 113 N N -1.402 117.314 118.700 0.025 0.000 2.754 113 N HA -0.133 4.607 4.740 0.001 0.000 0.248 113 N C -0.469 175.055 175.510 0.024 0.000 1.093 113 N CA 0.950 54.013 53.050 0.021 0.000 0.699 113 N CB -1.845 36.649 38.487 0.011 0.000 1.016 113 N HN 0.560 nan 8.380 nan 0.000 0.552 114 L N 0.279 121.524 121.223 0.036 0.000 2.452 114 L HA 0.254 4.594 4.340 0.001 0.000 0.267 114 L C -1.551 175.338 176.870 0.031 0.000 1.188 114 L CA -1.286 53.575 54.840 0.036 0.000 0.821 114 L CB 0.102 42.193 42.059 0.053 0.000 1.102 114 L HN -0.180 nan 8.230 nan 0.000 0.470 115 P HA 0.080 nan 4.420 nan 0.000 0.272 115 P C -0.997 176.317 177.300 0.023 0.000 1.223 115 P CA -0.172 62.934 63.100 0.009 0.000 0.784 115 P CB 0.849 32.542 31.700 -0.011 0.000 0.923 116 V N 3.979 123.906 119.914 0.022 0.000 2.459 116 V HA 0.389 4.509 4.120 0.001 0.000 0.295 116 V C 0.171 176.278 176.094 0.022 0.000 1.029 116 V CA -0.308 62.012 62.300 0.035 0.000 0.874 116 V CB 1.350 33.199 31.823 0.044 0.000 0.985 116 V HN 0.477 nan 8.190 nan 0.000 0.438 117 M N 5.735 125.350 119.600 0.025 0.000 2.036 117 M HA 0.451 4.931 4.480 0.001 0.000 0.337 117 M C -0.799 175.579 176.300 0.130 0.000 1.012 117 M CA -0.260 55.058 55.300 0.029 0.000 0.962 117 M CB 1.441 33.985 32.600 -0.094 0.000 1.423 117 M HN 0.496 nan 8.290 nan 0.000 0.405 118 L N 4.802 126.119 121.223 0.155 0.000 2.268 118 L HA 0.314 4.654 4.340 0.001 0.000 0.289 118 L C -0.657 176.262 176.870 0.082 0.000 1.064 118 L CA -0.225 54.653 54.840 0.063 0.000 0.824 118 L CB 0.446 42.485 42.059 -0.033 0.000 1.202 118 L HN 0.743 nan 8.230 nan 0.000 0.433 119 W N 7.914 129.042 121.300 -0.287 0.000 2.287 119 W HA 0.377 5.037 4.660 0.000 0.000 0.313 119 W C -1.338 174.934 176.519 -0.413 0.000 1.267 119 W CA -0.693 56.285 57.345 -0.612 0.000 1.201 119 W CB 1.010 30.130 29.460 -0.567 0.000 1.196 119 W HN 0.372 nan 8.180 nan 0.000 0.536 120 I N 9.542 129.307 120.570 -1.342 0.000 2.420 120 I HA 0.107 4.277 4.170 0.001 0.000 0.282 120 I C 0.061 175.189 176.117 -1.648 0.000 1.019 120 I CA -0.967 59.645 61.300 -1.146 0.000 1.130 120 I CB 0.481 37.996 38.000 -0.808 0.000 1.262 120 I HN 0.228 nan 8.210 nan 0.000 0.454 121 F N 4.245 123.469 119.950 -1.210 0.000 2.496 121 F HA 0.666 5.193 4.527 0.000 0.000 0.344 121 F C 0.649 176.135 175.800 -0.524 0.000 1.155 121 F CA -0.661 56.729 58.000 -1.017 0.000 1.302 121 F CB 0.229 38.885 39.000 -0.574 0.000 1.159 121 F HN 0.364 nan 8.300 nan 0.000 0.595 122 G N 0.150 108.839 108.800 -0.186 0.000 2.478 122 G HA2 0.519 4.479 3.960 0.001 0.000 0.317 122 G HA3 0.519 4.479 3.960 0.001 0.000 0.317 122 G C -0.230 174.733 174.900 0.106 0.000 1.259 122 G CA -0.596 44.420 45.100 -0.140 0.000 0.933 122 G HN 1.269 nan 8.290 nan 0.000 0.478 123 G N 0.036 108.873 108.800 0.062 0.000 5.084 123 G HA2 0.508 4.468 3.960 0.001 0.000 0.241 123 G HA3 0.508 4.468 3.960 0.001 0.000 0.241 123 G C 0.899 175.830 174.900 0.050 0.000 0.918 123 G CA 0.472 45.647 45.100 0.125 0.000 0.754 123 G HN 1.900 nan 8.290 nan 0.000 0.478 124 G N 0.305 109.029 108.800 -0.127 0.000 2.203 124 G HA2 -0.256 3.704 3.960 0.001 0.000 0.263 124 G HA3 -0.256 3.704 3.960 0.001 0.000 0.263 124 G C 0.754 175.828 174.900 0.290 0.000 1.012 124 G CA 0.368 45.471 45.100 0.004 0.000 0.749 124 G HN 1.254 nan 8.290 nan 0.000 0.512 125 F N -1.839 118.238 119.950 0.212 0.000 3.069 125 F HA -0.235 4.292 4.527 0.000 0.000 0.285 125 F C 1.344 177.363 175.800 0.365 0.000 0.827 125 F CA 1.889 60.004 58.000 0.193 0.000 1.108 125 F CB -1.768 37.139 39.000 -0.155 0.000 1.252 125 F HN 0.513 nan 8.300 nan 0.000 0.483 126 E N -1.412 119.105 120.200 0.528 0.000 2.568 126 E HA 0.377 4.727 4.350 0.001 0.000 0.220 126 E C 0.348 177.197 176.600 0.415 0.000 0.869 126 E CA 0.694 57.399 56.400 0.509 0.000 1.268 126 E CB 1.340 31.380 29.700 0.566 0.000 1.252 126 E HN 0.228 nan 8.360 nan 0.000 0.606 127 V N -3.062 117.096 119.914 0.406 0.000 3.226 127 V HA 0.948 5.069 4.120 0.001 0.000 0.304 127 V C -0.328 175.925 176.094 0.264 0.000 1.336 127 V CA -0.300 62.178 62.300 0.297 0.000 1.066 127 V CB 1.426 33.442 31.823 0.322 0.000 1.087 127 V HN 0.161 nan 8.190 nan 0.000 0.451 128 G N -1.351 107.503 108.800 0.091 0.000 2.428 128 G HA2 0.593 4.554 3.960 0.001 0.000 0.681 128 G HA3 0.593 4.554 3.960 0.001 0.000 0.681 128 G C -0.339 174.108 174.900 -0.756 0.000 1.340 128 G CA -0.040 44.958 45.100 -0.169 0.000 0.915 128 G HN 2.669 nan 8.290 nan 0.000 0.645 129 G N -1.533 106.537 108.800 -1.217 0.000 2.601 129 G HA2 0.782 4.743 3.960 0.001 0.000 0.291 129 G HA3 0.782 4.743 3.960 0.001 0.000 0.291 129 G C 0.807 175.313 174.900 -0.655 0.000 1.456 129 G CA 0.913 45.405 45.100 -1.014 0.000 0.804 129 G HN 1.870 nan 8.290 nan 0.000 0.499 130 T N -1.885 112.523 114.554 -0.243 0.000 2.904 130 T HA -0.098 4.252 4.350 0.001 0.000 0.267 130 T C 2.555 177.154 174.700 -0.168 0.000 1.059 130 T CA 2.100 64.271 62.100 0.119 0.000 1.137 130 T CB -0.388 68.639 68.868 0.265 0.000 0.879 130 T HN 1.106 nan 8.240 nan 0.000 0.467 131 S N 2.212 117.559 115.700 -0.588 0.000 2.465 131 S HA -0.127 4.344 4.470 0.001 0.000 0.241 131 S C 1.964 176.216 174.600 -0.579 0.000 1.000 131 S CA 1.260 58.840 58.200 -1.033 0.000 0.964 131 S CB -1.358 61.356 63.200 -0.810 0.000 0.763 131 S HN 0.788 nan 8.310 nan 0.000 0.512 132 T N -1.684 112.586 114.554 -0.473 0.000 3.107 132 T HA 0.342 4.692 4.350 0.001 0.000 0.249 132 T C -0.099 174.142 174.700 -0.765 0.000 1.096 132 T CA -0.335 61.410 62.100 -0.592 0.000 1.012 132 T CB -0.617 67.812 68.868 -0.731 0.000 0.977 132 T HN 0.356 nan 8.240 nan 0.000 0.527 133 F N 1.964 121.824 119.950 -0.149 0.000 2.453 133 F HA 0.430 4.957 4.527 0.000 0.000 0.358 133 F C -2.775 172.828 175.800 -0.328 0.000 1.129 133 F CA -3.059 54.812 58.000 -0.215 0.000 1.200 133 F CB 0.835 39.725 39.000 -0.184 0.000 1.431 133 F HN -0.118 nan 8.300 nan 0.000 0.503 134 P HA -0.004 nan 4.420 nan 0.000 0.260 134 P C -1.754 175.334 177.300 -0.354 0.000 1.207 134 P CA -0.783 62.130 63.100 -0.311 0.000 0.780 134 P CB 0.420 31.853 31.700 -0.445 0.000 0.789 135 P HA -0.072 nan 4.420 nan 0.000 0.236 135 P C 1.029 178.158 177.300 -0.285 0.000 1.177 135 P CA 0.565 63.295 63.100 -0.615 0.000 0.773 135 P CB 0.113 31.234 31.700 -0.966 0.000 0.878 136 A N 0.911 123.612 122.820 -0.198 0.000 1.917 136 A HA -0.261 4.060 4.320 0.001 0.000 0.219 136 A C 2.497 180.029 177.584 -0.087 0.000 1.182 136 A CA 1.980 53.947 52.037 -0.116 0.000 0.633 136 A CB -1.538 17.401 19.000 -0.101 0.000 0.819 136 A HN 0.228 nan 8.150 nan 0.000 0.448 137 Q N -1.643 118.093 119.800 -0.107 0.000 2.050 137 Q HA -0.221 4.119 4.340 0.001 0.000 0.202 137 Q C 2.063 178.052 176.000 -0.019 0.000 0.980 137 Q CA 2.017 57.785 55.803 -0.059 0.000 0.840 137 Q CB -0.211 28.487 28.738 -0.065 0.000 0.898 137 Q HN 0.614 nan 8.270 nan 0.000 0.424 138 M N 0.349 119.942 119.600 -0.013 0.000 2.065 138 M HA -0.163 4.318 4.480 0.001 0.000 0.259 138 M C 1.830 178.158 176.300 0.047 0.000 1.071 138 M CA 1.663 56.993 55.300 0.051 0.000 1.109 138 M CB -0.367 32.310 32.600 0.128 0.000 1.313 138 M HN 0.337 nan 8.290 nan 0.000 0.408 139 I N -0.656 119.933 120.570 0.033 0.000 2.151 139 I HA -0.397 3.773 4.170 0.001 0.000 0.243 139 I C 2.025 178.157 176.117 0.027 0.000 1.080 139 I CA 2.003 63.327 61.300 0.040 0.000 1.339 139 I CB -0.745 37.271 38.000 0.026 0.000 1.039 139 I HN 0.409 nan 8.210 nan 0.000 0.409 140 T N -0.129 114.430 114.554 0.009 0.000 2.674 140 T HA -0.241 4.110 4.350 0.001 0.000 0.265 140 T C 1.916 176.624 174.700 0.014 0.000 1.039 140 T CA 1.546 63.651 62.100 0.008 0.000 1.150 140 T CB -0.233 68.634 68.868 -0.002 0.000 0.864 140 T HN 0.128 nan 8.240 nan 0.000 0.427 141 K N 1.612 122.021 120.400 0.015 0.000 2.103 141 K HA -0.109 4.211 4.320 0.001 0.000 0.207 141 K C 2.498 179.111 176.600 0.021 0.000 1.048 141 K CA 1.564 57.861 56.287 0.017 0.000 0.930 141 K CB -0.416 32.094 32.500 0.018 0.000 0.716 141 K HN 0.448 nan 8.250 nan 0.000 0.444 142 S N -0.137 115.581 115.700 0.030 0.000 2.382 142 S HA -0.141 4.330 4.470 0.001 0.000 0.228 142 S C 2.013 176.630 174.600 0.027 0.000 1.027 142 S CA 1.299 59.519 58.200 0.032 0.000 0.991 142 S CB -0.551 62.674 63.200 0.042 0.000 0.823 142 S HN 0.316 nan 8.310 nan 0.000 0.469 143 I N 2.304 122.889 120.570 0.026 0.000 2.202 143 I HA -0.071 4.099 4.170 0.001 0.000 0.242 143 I C 3.076 179.204 176.117 0.018 0.000 1.091 143 I CA 1.053 62.367 61.300 0.023 0.000 1.368 143 I CB -0.645 37.368 38.000 0.023 0.000 1.058 143 I HN 0.406 nan 8.210 nan 0.000 0.410 144 A N 0.443 123.273 122.820 0.015 0.000 1.940 144 A HA -0.213 4.108 4.320 0.001 0.000 0.219 144 A C 2.308 179.899 177.584 0.012 0.000 1.176 144 A CA 1.680 53.724 52.037 0.012 0.000 0.631 144 A CB -0.605 18.400 19.000 0.009 0.000 0.814 144 A HN 0.389 nan 8.150 nan 0.000 0.446 145 M N -1.513 118.095 119.600 0.013 0.000 2.562 145 M HA 0.109 4.590 4.480 0.001 0.000 0.257 145 M C 1.347 177.655 176.300 0.014 0.000 1.099 145 M CA 0.840 56.148 55.300 0.013 0.000 1.099 145 M CB 0.067 32.676 32.600 0.015 0.000 1.427 145 M HN 0.652 nan 8.290 nan 0.000 0.489 146 G N 1.753 110.562 108.800 0.015 0.000 2.147 146 G HA2 -0.260 3.701 3.960 0.001 0.000 0.244 146 G HA3 -0.260 3.701 3.960 0.001 0.000 0.244 146 G C 0.038 174.948 174.900 0.016 0.000 1.005 146 G CA 0.097 45.206 45.100 0.015 0.000 0.713 146 G HN 0.492 nan 8.290 nan 0.000 0.515 147 K N 0.821 121.232 120.400 0.018 0.000 3.084 147 K HA 0.236 4.557 4.320 0.001 0.000 0.172 147 K C -2.613 174.002 176.600 0.024 0.000 1.078 147 K CA -1.509 54.789 56.287 0.018 0.000 0.875 147 K CB 2.192 34.702 32.500 0.016 0.000 1.064 147 K HN 0.253 nan 8.250 nan 0.000 0.597 148 P HA -0.002 nan 4.420 nan 0.000 0.265 148 P C -0.414 176.911 177.300 0.042 0.000 1.193 148 P CA 0.009 63.131 63.100 0.038 0.000 0.765 148 P CB 0.486 32.209 31.700 0.039 0.000 0.823 149 I N 0.346 120.949 120.570 0.055 0.000 3.042 149 I HA 0.579 4.750 4.170 0.001 0.000 0.310 149 I C -0.614 175.558 176.117 0.091 0.000 1.117 149 I CA -1.511 59.825 61.300 0.060 0.000 1.003 149 I CB 1.611 39.639 38.000 0.047 0.000 1.228 149 I HN 0.134 nan 8.210 nan 0.000 0.443 150 I N 3.223 123.851 120.570 0.097 0.000 2.377 150 I HA 0.319 4.490 4.170 0.001 0.000 0.293 150 I C -0.580 175.630 176.117 0.156 0.000 0.987 150 I CA -0.596 60.780 61.300 0.127 0.000 1.185 150 I CB 1.123 39.190 38.000 0.110 0.000 1.341 150 I HN 0.620 nan 8.210 nan 0.000 0.455 151 H N 6.683 125.810 119.070 0.094 0.000 2.552 151 H HA 0.508 5.064 4.556 0.000 0.000 0.311 151 H C -1.444 173.953 175.328 0.115 0.000 1.071 151 H CA -0.315 55.813 56.048 0.133 0.000 1.307 151 H CB 1.424 31.262 29.762 0.127 0.000 1.416 151 H HN 0.266 nan 8.280 nan 0.000 0.464 152 V N 4.549 124.473 119.914 0.016 0.000 2.680 152 V HA 0.349 4.470 4.120 0.001 0.000 0.309 152 V C -0.356 175.766 176.094 0.047 0.000 1.052 152 V CA -0.724 61.605 62.300 0.047 0.000 0.908 152 V CB 1.876 33.696 31.823 -0.006 0.000 1.001 152 V HN 0.908 nan 8.190 nan 0.000 0.431 153 S N 2.687 118.459 115.700 0.120 0.000 2.549 153 S HA 0.844 5.314 4.470 0.001 0.000 0.280 153 S C -1.134 173.509 174.600 0.071 0.000 1.109 153 S CA -0.809 57.506 58.200 0.192 0.000 0.905 153 S CB 2.016 65.483 63.200 0.444 0.000 1.081 153 S HN 0.729 nan 8.310 nan 0.000 0.477 154 V N 2.068 122.013 119.914 0.052 0.000 2.656 154 V HA 0.497 4.618 4.120 0.001 0.000 0.307 154 V C -0.677 175.568 176.094 0.251 0.000 1.051 154 V CA -0.859 61.434 62.300 -0.011 0.000 0.893 154 V CB 1.703 33.358 31.823 -0.281 0.000 0.999 154 V HN 1.071 nan 8.190 nan 0.000 0.426 155 N N 4.012 122.915 118.700 0.338 0.000 2.513 155 N HA 0.575 5.315 4.740 0.001 0.000 0.274 155 N C -1.717 174.062 175.510 0.449 0.000 1.189 155 N CA -0.177 53.133 53.050 0.434 0.000 0.975 155 N CB 1.149 39.807 38.487 0.284 0.000 1.157 155 N HN 0.722 nan 8.380 nan 0.000 0.465 156 Y N -1.717 118.743 120.300 0.267 0.000 2.581 156 Y HA 0.433 4.983 4.550 0.000 0.000 0.337 156 Y C -0.889 175.122 175.900 0.185 0.000 1.108 156 Y CA -1.367 56.824 58.100 0.153 0.000 1.033 156 Y CB 0.602 39.076 38.460 0.024 0.000 1.318 156 Y HN 0.249 nan 8.280 nan 0.000 0.459 157 R N 2.094 122.709 120.500 0.190 0.000 2.537 157 R HA 0.517 4.857 4.340 0.001 0.000 0.280 157 R C -0.365 176.071 176.300 0.227 0.000 1.058 157 R CA -0.222 55.959 56.100 0.135 0.000 1.057 157 R CB 0.869 31.244 30.300 0.124 0.000 0.973 157 R HN 0.690 nan 8.270 nan 0.000 0.438 158 V N -0.354 119.723 119.914 0.273 0.000 3.113 158 V HA 0.684 4.804 4.120 0.001 0.000 0.316 158 V C 0.658 177.056 176.094 0.507 0.000 1.125 158 V CA -0.681 61.903 62.300 0.474 0.000 1.026 158 V CB 1.618 33.651 31.823 0.350 0.000 1.080 158 V HN 1.021 nan 8.190 nan 0.000 0.444 159 S N 1.083 117.077 115.700 0.491 0.000 3.245 159 S HA -0.281 4.189 4.470 0.001 0.000 0.631 159 S C 1.670 176.021 174.600 -0.416 0.000 2.821 159 S CA 2.239 60.464 58.200 0.042 0.000 3.266 159 S CB -1.760 61.554 63.200 0.190 0.000 0.314 159 S HN 2.798 nan 8.310 nan 0.000 1.621 160 S N 0.948 115.966 115.700 -1.136 0.000 2.380 160 S HA -0.184 4.286 4.470 0.001 0.000 0.229 160 S C 1.859 176.355 174.600 -0.173 0.000 1.043 160 S CA 1.953 59.642 58.200 -0.851 0.000 1.038 160 S CB -1.060 61.603 63.200 -0.894 0.000 0.872 160 S HN 0.678 nan 8.310 nan 0.000 0.456 161 W N 1.654 123.020 121.300 0.109 0.000 2.363 161 W HA 0.110 4.771 4.660 0.000 0.000 0.296 161 W C 2.528 179.142 176.519 0.159 0.000 1.212 161 W CA 0.938 58.404 57.345 0.200 0.000 1.260 161 W CB -1.063 28.430 29.460 0.056 0.000 1.131 161 W HN 0.620 nan 8.180 nan 0.000 0.530 162 G N -2.584 106.382 108.800 0.277 0.000 2.944 162 G HA2 0.111 4.071 3.960 0.001 0.000 0.220 162 G HA3 0.111 4.071 3.960 0.001 0.000 0.220 162 G C 0.318 174.935 174.900 -0.471 0.000 1.100 162 G CA -0.063 45.002 45.100 -0.059 0.000 0.780 162 G HN 0.064 nan 8.290 nan 0.000 0.539 163 F N 0.244 120.328 119.950 0.223 0.000 2.810 163 F HA 0.454 4.981 4.527 0.001 0.000 0.353 163 F C 0.106 176.039 175.800 0.221 0.000 1.227 163 F CA -1.055 57.070 58.000 0.209 0.000 1.210 163 F CB 0.620 39.763 39.000 0.239 0.000 1.039 163 F HN -0.094 nan 8.300 nan 0.000 0.509 164 L N 1.468 122.825 121.223 0.223 0.000 2.461 164 L HA 0.617 4.957 4.340 0.001 0.000 0.272 164 L C 0.242 177.176 176.870 0.106 0.000 1.197 164 L CA 0.318 55.240 54.840 0.137 0.000 0.836 164 L CB 0.443 42.376 42.059 -0.209 0.000 1.105 164 L HN 0.233 nan 8.230 nan 0.000 0.477 165 A N 2.261 125.133 122.820 0.087 0.000 2.985 165 A HA 0.987 5.308 4.320 0.001 0.000 0.248 165 A C 0.034 177.538 177.584 -0.134 0.000 1.195 165 A CA -0.205 51.830 52.037 -0.003 0.000 0.798 165 A CB 0.391 19.404 19.000 0.022 0.000 1.376 165 A HN 1.770 nan 8.150 nan 0.000 0.574 166 G N -1.360 107.346 108.800 -0.158 0.000 2.541 166 G HA2 0.105 4.065 3.960 0.001 0.000 0.686 166 G HA3 0.105 4.065 3.960 0.001 0.000 0.686 166 G C -0.218 174.505 174.900 -0.295 0.000 1.286 166 G CA 0.334 45.274 45.100 -0.265 0.000 0.894 166 G HN 0.634 nan 8.290 nan 0.000 0.575 167 D N 0.274 120.509 120.400 -0.275 0.000 2.106 167 D HA -0.077 4.564 4.640 0.001 0.000 0.191 167 D C 2.300 178.457 176.300 -0.238 0.000 0.997 167 D CA 2.033 55.909 54.000 -0.205 0.000 0.834 167 D CB -0.120 40.589 40.800 -0.152 0.000 0.956 167 D HN 0.628 nan 8.370 nan 0.000 0.448 168 E N 0.323 120.298 120.200 -0.374 0.000 2.058 168 E HA -0.128 4.223 4.350 0.001 0.000 0.194 168 E C 2.227 178.686 176.600 -0.235 0.000 0.997 168 E CA 0.454 56.671 56.400 -0.304 0.000 0.801 168 E CB -0.146 29.316 29.700 -0.397 0.000 0.746 168 E HN 0.221 nan 8.360 nan 0.000 0.450 169 I N 1.127 121.509 120.570 -0.314 0.000 2.264 169 I HA -0.264 3.906 4.170 0.001 0.000 0.248 169 I C 2.233 178.293 176.117 -0.096 0.000 1.111 169 I CA 1.428 62.630 61.300 -0.165 0.000 1.382 169 I CB -0.751 37.153 38.000 -0.160 0.000 1.060 169 I HN 0.159 nan 8.210 nan 0.000 0.418 170 K N 1.028 121.360 120.400 -0.114 0.000 2.001 170 K HA -0.137 4.184 4.320 0.001 0.000 0.208 170 K C 2.228 178.795 176.600 -0.055 0.000 1.048 170 K CA 1.479 57.724 56.287 -0.071 0.000 0.932 170 K CB -0.031 32.425 32.500 -0.073 0.000 0.715 170 K HN 0.199 nan 8.250 nan 0.000 0.437 171 A N 1.516 124.297 122.820 -0.066 0.000 1.958 171 A HA -0.263 4.057 4.320 0.001 0.000 0.221 171 A C 1.954 179.522 177.584 -0.027 0.000 1.178 171 A CA 2.161 54.171 52.037 -0.045 0.000 0.642 171 A CB -0.610 18.359 19.000 -0.051 0.000 0.816 171 A HN 0.657 nan 8.150 nan 0.000 0.453 172 E N -1.337 118.848 120.200 -0.025 0.000 2.285 172 E HA 0.182 4.532 4.350 0.001 0.000 0.194 172 E C 1.072 177.680 176.600 0.013 0.000 0.997 172 E CA 0.691 57.092 56.400 0.002 0.000 0.845 172 E CB -0.234 29.475 29.700 0.015 0.000 0.782 172 E HN 0.833 nan 8.360 nan 0.000 0.491 173 G N 0.522 109.325 108.800 0.004 0.000 2.171 173 G HA2 -0.217 3.744 3.960 0.001 0.000 0.238 173 G HA3 -0.217 3.744 3.960 0.001 0.000 0.238 173 G C 0.405 175.327 174.900 0.037 0.000 1.039 173 G CA 0.474 45.582 45.100 0.014 0.000 0.759 173 G HN 0.243 nan 8.290 nan 0.000 0.501 174 S N -0.234 115.490 115.700 0.040 0.000 2.588 174 S HA 0.640 5.110 4.470 0.001 0.000 0.245 174 S C 1.126 175.769 174.600 0.071 0.000 1.021 174 S CA 0.456 58.699 58.200 0.071 0.000 1.006 174 S CB 0.661 63.919 63.200 0.096 0.000 0.830 174 S HN 1.447 nan 8.310 nan 0.000 0.468 175 A N 2.191 125.044 122.820 0.055 0.000 2.386 175 A HA 0.480 4.801 4.320 0.001 0.000 0.248 175 A C 0.654 178.307 177.584 0.114 0.000 1.082 175 A CA -0.449 51.629 52.037 0.068 0.000 0.789 175 A CB -0.040 18.984 19.000 0.040 0.000 1.025 175 A HN 0.458 nan 8.150 nan 0.000 0.490 176 N N -0.535 118.248 118.700 0.139 0.000 2.725 176 N HA -0.239 4.502 4.740 0.001 0.000 0.251 176 N C 0.952 176.473 175.510 0.018 0.000 1.031 176 N CA 0.968 54.115 53.050 0.161 0.000 0.720 176 N CB -1.516 37.168 38.487 0.329 0.000 0.930 176 N HN 0.975 nan 8.380 nan 0.000 0.543 177 A N 0.177 122.941 122.820 -0.093 0.000 1.908 177 A HA -0.012 4.308 4.320 0.001 0.000 0.218 177 A C 2.304 179.806 177.584 -0.138 0.000 1.181 177 A CA 2.133 54.138 52.037 -0.053 0.000 0.627 177 A CB -0.739 18.265 19.000 0.007 0.000 0.818 177 A HN 0.546 nan 8.150 nan 0.000 0.445 178 G N -0.415 108.099 108.800 -0.476 0.000 2.432 178 G HA2 -0.137 3.824 3.960 0.001 0.000 0.219 178 G HA3 -0.137 3.824 3.960 0.001 0.000 0.219 178 G C 1.495 176.366 174.900 -0.049 0.000 1.135 178 G CA 0.994 45.934 45.100 -0.267 0.000 0.767 178 G HN 0.450 nan 8.290 nan 0.000 0.550 179 L N -0.529 120.659 121.223 -0.058 0.000 2.179 179 L HA 0.063 4.403 4.340 0.001 0.000 0.208 179 L C 2.848 179.625 176.870 -0.155 0.000 1.096 179 L CA 0.815 55.600 54.840 -0.090 0.000 0.779 179 L CB -0.155 41.882 42.059 -0.037 0.000 0.922 179 L HN 0.169 nan 8.230 nan 0.000 0.443 180 K N -0.199 120.182 120.400 -0.033 0.000 2.155 180 K HA -0.123 4.197 4.320 0.001 0.000 0.203 180 K C 1.590 178.214 176.600 0.040 0.000 1.052 180 K CA 1.045 57.345 56.287 0.021 0.000 0.948 180 K CB -0.018 32.568 32.500 0.142 0.000 0.728 180 K HN 0.220 nan 8.250 nan 0.000 0.448 181 D N 1.158 121.606 120.400 0.079 0.000 2.097 181 D HA -0.169 4.472 4.640 0.001 0.000 0.195 181 D C 1.918 178.304 176.300 0.143 0.000 0.989 181 D CA 1.269 55.392 54.000 0.206 0.000 0.827 181 D CB -0.173 40.780 40.800 0.256 0.000 0.966 181 D HN 0.229 nan 8.370 nan 0.000 0.456 182 Q N -0.022 119.765 119.800 -0.022 0.000 2.135 182 Q HA -0.158 4.182 4.340 0.001 0.000 0.204 182 Q C 2.222 178.037 176.000 -0.308 0.000 0.981 182 Q CA 1.158 56.843 55.803 -0.197 0.000 0.856 182 Q CB -0.006 28.590 28.738 -0.237 0.000 0.902 182 Q HN 0.022 nan 8.270 nan 0.000 0.425 183 R N 0.400 120.740 120.500 -0.267 0.000 2.092 183 R HA -0.109 4.231 4.340 0.001 0.000 0.231 183 R C 1.918 178.088 176.300 -0.216 0.000 1.119 183 R CA 0.796 56.694 56.100 -0.335 0.000 0.970 183 R CB -0.374 29.725 30.300 -0.336 0.000 0.864 183 R HN 0.204 nan 8.270 nan 0.000 0.440 184 L N -0.340 120.837 121.223 -0.077 0.000 2.056 184 L HA 0.086 4.427 4.340 0.001 0.000 0.207 184 L C 2.063 178.876 176.870 -0.094 0.000 1.078 184 L CA 2.166 57.017 54.840 0.017 0.000 0.749 184 L CB -0.994 41.211 42.059 0.244 0.000 0.901 184 L HN 0.312 nan 8.230 nan 0.000 0.433 185 G N -0.837 107.745 108.800 -0.363 0.000 2.440 185 G HA2 -0.331 3.629 3.960 0.001 0.000 0.218 185 G HA3 -0.331 3.629 3.960 0.001 0.000 0.218 185 G C 1.592 176.312 174.900 -0.301 0.000 1.154 185 G CA 1.190 45.868 45.100 -0.702 0.000 0.767 185 G HN 0.373 nan 8.290 nan 0.000 0.552 186 M N -0.127 119.305 119.600 -0.280 0.000 2.086 186 M HA -0.121 4.360 4.480 0.001 0.000 0.261 186 M C 2.852 179.052 176.300 -0.167 0.000 1.067 186 M CA 1.632 56.811 55.300 -0.201 0.000 1.116 186 M CB -0.292 32.158 32.600 -0.249 0.000 1.348 186 M HN 0.251 nan 8.290 nan 0.000 0.407 187 Q N -1.334 118.291 119.800 -0.291 0.000 2.135 187 Q HA -0.252 4.088 4.340 0.001 0.000 0.204 187 Q C 1.803 177.704 176.000 -0.165 0.000 0.981 187 Q CA 1.869 57.337 55.803 -0.558 0.000 0.856 187 Q CB -0.301 27.940 28.738 -0.829 0.000 0.902 187 Q HN 0.668 nan 8.270 nan 0.000 0.425 188 W N 0.192 121.370 121.300 -0.203 0.000 2.381 188 W HA -0.178 4.482 4.660 0.000 0.000 0.301 188 W C 1.811 178.290 176.519 -0.067 0.000 1.205 188 W CA 1.037 58.330 57.345 -0.087 0.000 1.285 188 W CB 0.013 29.415 29.460 -0.097 0.000 1.133 188 W HN -0.166 nan 8.180 nan 0.000 0.521 189 V N 1.279 121.383 119.914 0.316 0.000 2.343 189 V HA -0.308 3.812 4.120 0.001 0.000 0.247 189 V C 2.523 178.634 176.094 0.028 0.000 1.051 189 V CA 2.051 64.468 62.300 0.195 0.000 1.036 189 V CB -1.633 30.270 31.823 0.134 0.000 0.654 189 V HN 0.339 nan 8.190 nan 0.000 0.451 190 A N 0.048 122.888 122.820 0.034 0.000 1.892 190 A HA -0.286 4.034 4.320 0.001 0.000 0.218 190 A C 1.995 179.605 177.584 0.044 0.000 1.188 190 A CA 2.298 54.380 52.037 0.075 0.000 0.631 190 A CB -0.630 18.490 19.000 0.199 0.000 0.822 190 A HN 0.560 nan 8.150 nan 0.000 0.447 191 D N -0.657 119.748 120.400 0.010 0.000 2.194 191 D HA -0.044 4.596 4.640 0.001 0.000 0.204 191 D C 1.361 177.529 176.300 -0.220 0.000 0.964 191 D CA 0.980 54.941 54.000 -0.065 0.000 0.846 191 D CB -0.225 40.547 40.800 -0.047 0.000 0.962 191 D HN 0.523 nan 8.370 nan 0.000 0.490 192 N N -0.099 118.357 118.700 -0.407 0.000 2.273 192 N HA 0.021 4.761 4.740 0.001 0.000 0.192 192 N C 1.596 176.996 175.510 -0.183 0.000 1.132 192 N CA -0.174 52.588 53.050 -0.480 0.000 0.887 192 N CB 0.937 38.753 38.487 -1.117 0.000 1.048 192 N HN 0.020 nan 8.380 nan 0.000 0.490 193 I N 2.572 123.100 120.570 -0.070 0.000 2.335 193 I HA -0.196 3.974 4.170 0.001 0.000 0.251 193 I C 2.261 178.453 176.117 0.125 0.000 1.129 193 I CA 0.632 62.006 61.300 0.123 0.000 1.402 193 I CB -0.347 37.703 38.000 0.084 0.000 1.069 193 I HN 0.055 nan 8.210 nan 0.000 0.424 194 A N 0.256 123.086 122.820 0.017 0.000 1.948 194 A HA -0.206 4.114 4.320 0.001 0.000 0.220 194 A C 2.502 180.054 177.584 -0.053 0.000 1.177 194 A CA 1.915 53.946 52.037 -0.011 0.000 0.636 194 A CB -1.218 17.759 19.000 -0.040 0.000 0.815 194 A HN 0.485 nan 8.150 nan 0.000 0.449 195 A N -1.651 121.083 122.820 -0.143 0.000 2.070 195 A HA 0.026 4.346 4.320 0.001 0.000 0.220 195 A C 1.688 178.990 177.584 -0.470 0.000 1.159 195 A CA 1.379 53.212 52.037 -0.339 0.000 0.656 195 A CB -0.661 18.027 19.000 -0.520 0.000 0.800 195 A HN 0.516 nan 8.150 nan 0.000 0.453 196 F N -1.548 118.324 119.950 -0.129 0.000 2.749 196 F HA 0.367 4.894 4.527 0.001 0.000 0.300 196 F C 1.843 177.630 175.800 -0.021 0.000 1.103 196 F CA 0.716 58.651 58.000 -0.109 0.000 1.342 196 F CB 0.392 39.321 39.000 -0.118 0.000 1.098 196 F HN 0.348 nan 8.300 nan 0.000 0.586 197 G N -0.008 108.859 108.800 0.112 0.000 2.179 197 G HA2 -0.130 3.830 3.960 0.001 0.000 0.220 197 G HA3 -0.130 3.830 3.960 0.001 0.000 0.220 197 G C 0.522 175.474 174.900 0.086 0.000 0.990 197 G CA -0.374 44.777 45.100 0.086 0.000 0.646 197 G HN 0.685 nan 8.290 nan 0.000 0.517 198 G N -0.551 108.311 108.800 0.104 0.000 2.437 198 G HA2 0.515 4.475 3.960 0.001 0.000 0.319 198 G HA3 0.515 4.475 3.960 0.001 0.000 0.319 198 G C -1.112 173.818 174.900 0.051 0.000 1.158 198 G CA 0.138 45.285 45.100 0.079 0.000 0.899 198 G HN 0.174 nan 8.290 nan 0.000 0.502 199 D N 1.021 121.443 120.400 0.037 0.000 2.329 199 D HA 0.285 4.925 4.640 0.001 0.000 0.232 199 D C -1.138 175.176 176.300 0.024 0.000 1.088 199 D CA -2.292 51.721 54.000 0.023 0.000 0.835 199 D CB 2.209 43.017 40.800 0.014 0.000 1.078 199 D HN 0.052 nan 8.370 nan 0.000 0.495 200 P HA -0.121 nan 4.420 nan 0.000 0.225 200 P C 0.943 178.259 177.300 0.026 0.000 1.148 200 P CA 0.982 64.100 63.100 0.029 0.000 0.779 200 P CB 0.005 31.721 31.700 0.026 0.000 0.780 201 T N -3.955 110.607 114.554 0.013 0.000 3.129 201 T HA 0.138 4.489 4.350 0.001 0.000 0.251 201 T C 1.010 175.710 174.700 0.001 0.000 1.117 201 T CA 0.129 62.232 62.100 0.004 0.000 1.034 201 T CB -0.378 68.487 68.868 -0.005 0.000 0.968 201 T HN 0.099 nan 8.240 nan 0.000 0.526 202 K N 1.646 122.050 120.400 0.007 0.000 3.205 202 K HA 0.436 4.757 4.320 0.001 0.000 0.202 202 K C -1.158 175.450 176.600 0.012 0.000 1.160 202 K CA -0.323 55.962 56.287 -0.003 0.000 0.995 202 K CB 1.409 33.902 32.500 -0.011 0.000 1.041 202 K HN 0.159 nan 8.250 nan 0.000 0.507 203 V N 1.210 121.149 119.914 0.042 0.000 2.407 203 V HA 0.235 4.355 4.120 0.001 0.000 0.278 203 V C 0.199 176.351 176.094 0.098 0.000 1.037 203 V CA -0.373 61.969 62.300 0.070 0.000 0.900 203 V CB 1.566 33.450 31.823 0.103 0.000 0.983 203 V HN 0.272 nan 8.190 nan 0.000 0.459 204 T N 6.501 121.089 114.554 0.056 0.000 2.786 204 T HA 0.573 4.923 4.350 0.001 0.000 0.283 204 T C -0.102 174.634 174.700 0.060 0.000 0.992 204 T CA -0.198 61.934 62.100 0.054 0.000 0.954 204 T CB 0.743 69.604 68.868 -0.012 0.000 0.934 204 T HN 0.608 nan 8.240 nan 0.000 0.440 205 I N 1.828 122.394 120.570 -0.006 0.000 2.499 205 I HA 0.883 5.054 4.170 0.001 0.000 0.296 205 I C -0.760 175.417 176.117 0.100 0.000 0.992 205 I CA -0.875 60.389 61.300 -0.061 0.000 1.297 205 I CB 0.896 38.652 38.000 -0.406 0.000 1.410 205 I HN 0.551 nan 8.210 nan 0.000 0.507 206 F N 2.817 122.657 119.950 -0.183 0.000 2.650 206 F HA 0.929 5.456 4.527 0.000 0.000 0.310 206 F C -0.612 175.041 175.800 -0.246 0.000 1.112 206 F CA -0.760 57.153 58.000 -0.145 0.000 0.986 206 F CB 1.085 40.062 39.000 -0.038 0.000 1.285 206 F HN 0.859 nan 8.300 nan 0.000 0.440 207 G N 1.330 109.860 108.800 -0.451 0.000 2.645 207 G HA2 0.541 4.502 3.960 0.001 0.000 0.292 207 G HA3 0.541 4.502 3.960 0.001 0.000 0.292 207 G C -2.447 172.175 174.900 -0.464 0.000 1.415 207 G CA -0.776 43.723 45.100 -1.001 0.000 0.785 207 G HN 0.868 nan 8.290 nan 0.000 0.483 208 E N -0.103 119.797 120.200 -0.500 0.000 2.293 208 E HA 0.584 4.935 4.350 0.001 0.000 0.270 208 E C 0.617 177.115 176.600 -0.172 0.000 0.879 208 E CA 0.258 56.582 56.400 -0.127 0.000 0.756 208 E CB 2.179 31.943 29.700 0.107 0.000 1.208 208 E HN 0.896 nan 8.360 nan 0.000 0.428 209 S N 3.095 118.764 115.700 -0.052 0.000 4.150 209 S HA -0.410 4.061 4.470 0.001 0.000 0.575 209 S C 1.521 176.103 174.600 -0.030 0.000 1.878 209 S CA 2.704 60.941 58.200 0.063 0.000 4.245 209 S CB -1.655 61.524 63.200 -0.035 0.000 0.231 209 S HN 1.008 nan 8.310 nan 0.000 0.469 210 A N 1.188 123.857 122.820 -0.252 0.000 1.972 210 A HA 0.234 4.554 4.320 0.001 0.000 0.219 210 A C 2.523 179.775 177.584 -0.553 0.000 1.169 210 A CA 2.244 53.850 52.037 -0.718 0.000 0.635 210 A CB -1.515 16.708 19.000 -1.295 0.000 0.810 210 A HN 1.575 nan 8.150 nan 0.000 0.446 211 G N -1.113 107.388 108.800 -0.499 0.000 2.422 211 G HA2 -0.136 3.824 3.960 0.001 0.000 0.218 211 G HA3 -0.136 3.824 3.960 0.001 0.000 0.218 211 G C 1.869 176.498 174.900 -0.452 0.000 1.140 211 G CA 1.331 46.067 45.100 -0.607 0.000 0.775 211 G HN 0.527 nan 8.290 nan 0.000 0.545 212 S N -0.018 115.498 115.700 -0.306 0.000 2.371 212 S HA -0.021 4.449 4.470 0.001 0.000 0.224 212 S C 2.479 176.981 174.600 -0.163 0.000 1.029 212 S CA 1.179 59.263 58.200 -0.193 0.000 0.978 212 S CB -0.270 62.889 63.200 -0.069 0.000 0.833 212 S HN 0.360 nan 8.310 nan 0.000 0.466 213 M N 0.739 120.287 119.600 -0.087 0.000 2.279 213 M HA -0.043 4.438 4.480 0.001 0.000 0.264 213 M C 2.306 178.547 176.300 -0.098 0.000 1.062 213 M CA 0.894 56.168 55.300 -0.043 0.000 1.099 213 M CB -0.383 32.298 32.600 0.135 0.000 1.394 213 M HN 0.245 nan 8.290 nan 0.000 0.426 214 S N 0.227 115.837 115.700 -0.149 0.000 2.368 214 S HA -0.086 4.384 4.470 0.001 0.000 0.224 214 S C 1.957 176.363 174.600 -0.323 0.000 1.029 214 S CA 1.067 59.107 58.200 -0.268 0.000 0.988 214 S CB -0.187 62.793 63.200 -0.366 0.000 0.838 214 S HN 0.257 nan 8.310 nan 0.000 0.462 215 V N 1.725 121.479 119.914 -0.267 0.000 2.343 215 V HA -0.200 3.921 4.120 0.001 0.000 0.247 215 V C 2.321 178.271 176.094 -0.239 0.000 1.051 215 V CA 1.962 64.113 62.300 -0.248 0.000 1.036 215 V CB -0.572 31.095 31.823 -0.259 0.000 0.654 215 V HN 0.439 nan 8.190 nan 0.000 0.451 216 M N -0.031 119.415 119.600 -0.257 0.000 2.086 216 M HA -0.170 4.311 4.480 0.001 0.000 0.261 216 M C 2.184 178.395 176.300 -0.149 0.000 1.067 216 M CA 2.012 57.154 55.300 -0.264 0.000 1.116 216 M CB -1.026 31.383 32.600 -0.319 0.000 1.348 216 M HN 0.391 nan 8.290 nan 0.000 0.407 217 C N 0.023 119.219 119.300 -0.174 0.000 2.413 217 C HA -0.182 4.278 4.460 0.001 0.000 0.277 217 C C 2.657 177.621 174.990 -0.043 0.000 1.265 217 C CA 1.027 59.982 59.018 -0.105 0.000 1.752 217 C CB -1.785 25.848 27.740 -0.178 0.000 1.998 217 C HN 0.558 nan 8.230 nan 0.000 0.489 218 H N 0.031 119.087 119.070 -0.023 0.000 2.457 218 H HA 0.065 4.621 4.556 0.000 0.000 0.294 218 H C 2.171 177.649 175.328 0.250 0.000 1.064 218 H CA 1.179 57.227 56.048 -0.001 0.000 1.330 218 H CB -0.286 29.311 29.762 -0.275 0.000 1.395 218 H HN 0.511 nan 8.280 nan 0.000 0.541 219 I N 0.355 121.090 120.570 0.275 0.000 2.439 219 I HA -0.185 3.986 4.170 0.001 0.000 0.251 219 I C 1.789 178.133 176.117 0.379 0.000 1.139 219 I CA 0.809 62.331 61.300 0.371 0.000 1.438 219 I CB 0.039 38.161 38.000 0.203 0.000 1.085 219 I HN 0.113 nan 8.210 nan 0.000 0.427 220 L N -0.931 120.472 121.223 0.301 0.000 2.529 220 L HA 0.027 4.368 4.340 0.001 0.000 0.223 220 L C 1.018 178.054 176.870 0.276 0.000 1.113 220 L CA -0.239 54.764 54.840 0.272 0.000 0.861 220 L CB -0.242 41.925 42.059 0.180 0.000 1.012 220 L HN 0.326 nan 8.230 nan 0.000 0.461 221 W N 3.226 124.596 121.300 0.118 0.000 2.343 221 W HA -0.135 4.525 4.660 0.000 0.000 0.337 221 W C 0.294 176.879 176.519 0.111 0.000 1.320 221 W CA 0.407 57.818 57.345 0.111 0.000 1.290 221 W CB 0.334 29.898 29.460 0.173 0.000 1.206 221 W HN 0.339 nan 8.180 nan 0.000 0.565 222 N N 4.353 122.937 118.700 -0.193 0.000 2.725 222 N HA -0.243 4.497 4.740 0.001 0.000 0.251 222 N C -0.148 175.368 175.510 0.010 0.000 1.031 222 N CA 1.906 54.893 53.050 -0.105 0.000 0.720 222 N CB -1.447 37.059 38.487 0.031 0.000 0.930 222 N HN 0.469 nan 8.380 nan 0.000 0.543 223 D N -2.005 118.395 120.400 0.001 0.000 2.955 223 D HA -0.214 4.426 4.640 0.001 0.000 0.226 223 D C 1.225 177.564 176.300 0.065 0.000 1.178 223 D CA 2.425 56.438 54.000 0.023 0.000 0.808 223 D CB -1.325 39.468 40.800 -0.012 0.000 1.099 223 D HN 0.929 nan 8.370 nan 0.000 0.421 224 G N -0.119 108.766 108.800 0.142 0.000 2.201 224 G HA2 -0.260 3.700 3.960 0.001 0.000 0.212 224 G HA3 -0.260 3.700 3.960 0.001 0.000 0.212 224 G C -0.132 174.867 174.900 0.164 0.000 0.994 224 G CA 0.123 45.335 45.100 0.186 0.000 0.644 224 G HN 0.506 nan 8.290 nan 0.000 0.508 225 D N 1.658 122.142 120.400 0.141 0.000 2.374 225 D HA 0.348 4.989 4.640 0.001 0.000 0.240 225 D C 1.267 177.662 176.300 0.157 0.000 1.229 225 D CA -0.106 53.964 54.000 0.117 0.000 0.895 225 D CB 0.076 40.932 40.800 0.093 0.000 1.046 225 D HN 0.315 nan 8.370 nan 0.000 0.498 226 N N 2.117 120.863 118.700 0.077 0.000 2.279 226 N HA -0.016 4.724 4.740 0.001 0.000 0.226 226 N C -0.357 175.132 175.510 -0.035 0.000 1.126 226 N CA -0.432 52.625 53.050 0.012 0.000 0.846 226 N CB -0.128 38.186 38.487 -0.289 0.000 1.050 226 N HN 0.299 nan 8.380 nan 0.000 0.502 227 T N -2.398 112.179 114.554 0.038 0.000 2.918 227 T HA 0.386 4.736 4.350 0.001 0.000 0.283 227 T C -0.949 173.850 174.700 0.166 0.000 1.001 227 T CA -0.597 61.536 62.100 0.056 0.000 1.041 227 T CB 1.504 70.389 68.868 0.028 0.000 1.028 227 T HN 0.184 nan 8.240 nan 0.000 0.511 228 Y N 0.714 121.016 120.300 0.003 0.000 2.361 228 Y HA 0.379 4.930 4.550 0.001 0.000 0.328 228 Y C 0.189 176.094 175.900 0.009 0.000 1.044 228 Y CA -1.544 56.569 58.100 0.020 0.000 1.085 228 Y CB 1.148 39.620 38.460 0.021 0.000 1.194 228 Y HN 0.980 nan 8.280 nan 0.000 0.438 229 K N 4.467 124.633 120.400 -0.390 0.000 3.069 229 K HA -0.220 4.100 4.320 0.001 0.000 0.267 229 K C 0.871 177.375 176.600 -0.159 0.000 1.082 229 K CA 1.106 57.180 56.287 -0.355 0.000 0.782 229 K CB -1.580 30.595 32.500 -0.542 0.000 1.230 229 K HN 1.503 nan 8.250 nan 0.000 0.488 230 G N -0.513 108.237 108.800 -0.083 0.000 2.179 230 G HA2 -0.334 3.626 3.960 0.001 0.000 0.260 230 G HA3 -0.334 3.626 3.960 0.001 0.000 0.260 230 G C -0.172 174.709 174.900 -0.031 0.000 0.977 230 G CA 0.908 45.981 45.100 -0.046 0.000 0.641 230 G HN 0.280 nan 8.290 nan 0.000 0.533 231 K N 0.391 120.778 120.400 -0.022 0.000 2.371 231 K HA 0.635 4.955 4.320 0.001 0.000 0.251 231 K C -2.701 173.897 176.600 -0.003 0.000 0.934 231 K CA -2.179 54.100 56.287 -0.013 0.000 0.798 231 K CB 2.328 34.824 32.500 -0.007 0.000 1.204 231 K HN -0.060 nan 8.250 nan 0.000 0.427 232 P HA 0.056 nan 4.420 nan 0.000 0.267 232 P C 0.084 177.314 177.300 -0.116 0.000 1.200 232 P CA 0.002 63.022 63.100 -0.133 0.000 0.772 232 P CB 0.515 32.108 31.700 -0.179 0.000 0.855 233 L N 2.008 123.119 121.223 -0.188 0.000 2.492 233 L HA 0.122 4.462 4.340 0.001 0.000 0.223 233 L C 0.329 177.248 176.870 0.080 0.000 1.132 233 L CA 0.755 55.582 54.840 -0.022 0.000 0.850 233 L CB -0.428 41.676 42.059 0.075 0.000 0.966 233 L HN 0.443 nan 8.230 nan 0.000 0.454 234 F N -3.562 116.390 119.950 0.003 0.000 2.688 234 F HA 0.373 4.900 4.527 0.001 0.000 0.308 234 F C 0.351 176.158 175.800 0.011 0.000 1.117 234 F CA -1.522 56.474 58.000 -0.006 0.000 0.976 234 F CB 0.812 39.799 39.000 -0.021 0.000 1.291 234 F HN -0.189 nan 8.300 nan 0.000 0.439 235 R N 1.169 121.751 120.500 0.138 0.000 2.334 235 R HA 0.839 5.179 4.340 0.001 0.000 0.216 235 R C -0.075 176.302 176.300 0.128 0.000 0.905 235 R CA 0.377 56.515 56.100 0.063 0.000 1.064 235 R CB 0.412 30.709 30.300 -0.005 0.000 1.046 235 R HN 0.941 nan 8.270 nan 0.000 0.508 236 A N -0.476 122.496 122.820 0.252 0.000 2.564 236 A HA 0.778 5.098 4.320 0.001 0.000 0.291 236 A C -1.270 176.466 177.584 0.254 0.000 1.102 236 A CA -0.514 51.659 52.037 0.227 0.000 0.660 236 A CB 1.090 20.074 19.000 -0.028 0.000 1.283 236 A HN 0.251 nan 8.150 nan 0.000 0.430 237 G N -0.565 108.396 108.800 0.269 0.000 2.746 237 G HA2 0.616 4.576 3.960 0.001 0.000 0.297 237 G HA3 0.616 4.576 3.960 0.001 0.000 0.297 237 G C -1.584 173.357 174.900 0.070 0.000 1.426 237 G CA -0.391 44.769 45.100 0.099 0.000 0.989 237 G HN 0.757 nan 8.290 nan 0.000 0.520 238 I N 1.645 122.200 120.570 -0.025 0.000 2.439 238 I HA 0.334 4.504 4.170 0.001 0.000 0.283 238 I C -0.305 175.771 176.117 -0.069 0.000 1.023 238 I CA -0.440 60.764 61.300 -0.161 0.000 1.100 238 I CB 2.017 39.767 38.000 -0.417 0.000 1.238 238 I HN 0.207 nan 8.210 nan 0.000 0.445 239 M N 6.152 125.719 119.600 -0.054 0.000 2.066 239 M HA 0.343 4.823 4.480 0.001 0.000 0.340 239 M C -0.655 175.710 176.300 0.109 0.000 1.053 239 M CA -0.311 54.972 55.300 -0.029 0.000 0.983 239 M CB 1.156 33.678 32.600 -0.130 0.000 1.520 239 M HN 0.439 nan 8.290 nan 0.000 0.428 240 Q N 2.249 122.153 119.800 0.173 0.000 2.456 240 Q HA 0.355 4.695 4.340 0.001 0.000 0.234 240 Q C -0.506 175.594 176.000 0.167 0.000 1.061 240 Q CA -0.438 55.546 55.803 0.302 0.000 0.896 240 Q CB 0.750 29.717 28.738 0.381 0.000 1.233 240 Q HN 0.812 nan 8.270 nan 0.000 0.506 241 S N 1.328 117.118 115.700 0.150 0.000 3.688 241 S HA 0.005 4.475 4.470 0.001 0.000 0.561 241 S C -0.009 174.805 174.600 0.357 0.000 0.708 241 S CA 0.279 58.594 58.200 0.192 0.000 1.405 241 S CB -1.233 62.041 63.200 0.125 0.000 0.887 241 S HN 1.144 nan 8.310 nan 0.000 0.801 242 G N -0.384 108.617 108.800 0.335 0.000 2.380 242 G HA2 0.606 4.566 3.960 0.001 0.000 0.250 242 G HA3 0.606 4.566 3.960 0.001 0.000 0.250 242 G C -0.346 174.554 174.900 -0.000 0.000 1.578 242 G CA 0.172 45.443 45.100 0.284 0.000 0.974 242 G HN 1.337 nan 8.290 nan 0.000 0.680 243 A N 2.612 125.377 122.820 -0.091 0.000 3.411 243 A HA 0.964 5.284 4.320 0.001 0.000 0.197 243 A C 0.796 178.219 177.584 -0.268 0.000 1.630 243 A CA -0.038 51.843 52.037 -0.260 0.000 1.807 243 A CB -0.181 18.670 19.000 -0.249 0.000 1.519 243 A HN 0.963 nan 8.150 nan 0.000 0.502 244 M N 0.492 119.894 119.600 -0.330 0.000 2.232 244 M HA 0.342 4.822 4.480 0.001 0.000 0.321 244 M C -0.343 175.830 176.300 -0.211 0.000 1.101 244 M CA 0.342 55.447 55.300 -0.324 0.000 1.181 244 M CB 0.527 32.775 32.600 -0.586 0.000 1.432 244 M HN 0.157 nan 8.290 nan 0.000 0.457 245 V N 4.116 123.915 119.914 -0.192 0.000 2.432 245 V HA 0.300 4.421 4.120 0.001 0.000 0.275 245 V C -1.822 174.123 176.094 -0.249 0.000 1.043 245 V CA -1.171 61.012 62.300 -0.195 0.000 0.925 245 V CB 1.098 32.775 31.823 -0.244 0.000 0.985 245 V HN 0.717 nan 8.190 nan 0.000 0.466 246 P HA 0.141 nan 4.420 nan 0.000 0.220 246 P C -0.289 176.614 177.300 -0.661 0.000 1.806 246 P CA 0.044 62.881 63.100 -0.439 0.000 0.976 246 P CB 0.086 31.789 31.700 0.004 0.000 1.952 247 S N 0.092 115.304 115.700 -0.813 0.000 2.536 247 S HA 0.506 4.977 4.470 0.001 0.000 0.298 247 S C -0.280 174.106 174.600 -0.356 0.000 1.083 247 S CA -0.814 57.126 58.200 -0.433 0.000 0.995 247 S CB 1.601 64.646 63.200 -0.258 0.000 1.058 247 S HN -0.058 nan 8.310 nan 0.000 0.488 248 D N 1.218 121.589 120.400 -0.047 0.000 2.414 248 D HA 0.541 5.181 4.640 0.001 0.000 0.251 248 D C 0.767 177.069 176.300 0.003 0.000 1.252 248 D CA -0.148 53.885 54.000 0.055 0.000 0.999 248 D CB 0.589 41.460 40.800 0.119 0.000 1.093 248 D HN 0.862 nan 8.370 nan 0.000 0.515 249 A N 0.029 122.860 122.820 0.018 0.000 2.429 249 A HA 0.057 4.378 4.320 0.001 0.000 0.242 249 A C 1.486 179.070 177.584 -0.001 0.000 1.088 249 A CA -0.295 51.741 52.037 -0.001 0.000 0.784 249 A CB 0.295 19.295 19.000 -0.000 0.000 1.038 249 A HN 0.379 nan 8.150 nan 0.000 0.501 250 V N 0.381 120.288 119.914 -0.013 0.000 2.490 250 V HA -0.132 3.988 4.120 0.001 0.000 0.250 250 V C 1.363 177.438 176.094 -0.032 0.000 1.061 250 V CA 2.728 65.018 62.300 -0.016 0.000 1.064 250 V CB -0.739 31.074 31.823 -0.017 0.000 0.670 250 V HN 0.984 nan 8.190 nan 0.000 0.461 251 D N -0.563 119.818 120.400 -0.033 0.000 2.460 251 D HA 0.217 4.858 4.640 0.001 0.000 0.229 251 D C 0.870 177.163 176.300 -0.012 0.000 1.170 251 D CA 0.468 54.442 54.000 -0.044 0.000 0.827 251 D CB -0.311 40.458 40.800 -0.052 0.000 0.973 251 D HN 0.415 nan 8.370 nan 0.000 0.496 252 G N 0.290 109.098 108.800 0.012 0.000 2.486 252 G HA2 0.193 4.153 3.960 0.001 0.000 0.272 252 G HA3 0.193 4.153 3.960 0.001 0.000 0.272 252 G C 0.845 175.784 174.900 0.064 0.000 1.426 252 G CA -0.559 44.571 45.100 0.050 0.000 1.058 252 G HN 0.235 nan 8.290 nan 0.000 0.531 253 I N -2.100 118.535 120.570 0.109 0.000 2.235 253 I HA -0.024 4.146 4.170 0.001 0.000 0.241 253 I C 2.175 178.388 176.117 0.160 0.000 1.085 253 I CA 0.938 62.304 61.300 0.111 0.000 1.378 253 I CB 0.031 38.091 38.000 0.101 0.000 1.076 253 I HN 0.482 nan 8.210 nan 0.000 0.415 254 Y N 1.394 121.702 120.300 0.013 0.000 2.420 254 Y HA 0.099 4.649 4.550 0.001 0.000 0.292 254 Y C 2.206 178.098 175.900 -0.013 0.000 1.119 254 Y CA 0.876 58.971 58.100 -0.009 0.000 1.229 254 Y CB -0.664 37.788 38.460 -0.014 0.000 1.026 254 Y HN 0.149 nan 8.280 nan 0.000 0.554 255 G N -0.283 108.531 108.800 0.023 0.000 2.408 255 G HA2 -0.296 3.664 3.960 0.001 0.000 0.217 255 G HA3 -0.296 3.664 3.960 0.001 0.000 0.217 255 G C 1.549 176.421 174.900 -0.045 0.000 1.150 255 G CA 0.981 46.048 45.100 -0.054 0.000 0.776 255 G HN 0.413 nan 8.290 nan 0.000 0.542 256 N N -0.028 118.666 118.700 -0.010 0.000 2.216 256 N HA -0.008 4.732 4.740 0.001 0.000 0.183 256 N C 2.144 177.681 175.510 0.045 0.000 1.017 256 N CA 0.927 53.988 53.050 0.019 0.000 0.861 256 N CB -0.003 38.489 38.487 0.008 0.000 0.986 256 N HN 0.403 nan 8.380 nan 0.000 0.428 257 E N 0.421 120.617 120.200 -0.007 0.000 2.031 257 E HA -0.174 4.176 4.350 0.001 0.000 0.193 257 E C 1.745 178.272 176.600 -0.123 0.000 0.994 257 E CA 0.824 57.202 56.400 -0.036 0.000 0.800 257 E CB 0.000 29.710 29.700 0.016 0.000 0.752 257 E HN 0.290 nan 8.360 nan 0.000 0.447 258 I N 0.773 121.171 120.570 -0.287 0.000 2.151 258 I HA -0.271 3.899 4.170 0.001 0.000 0.243 258 I C 2.343 178.376 176.117 -0.140 0.000 1.080 258 I CA 1.277 62.384 61.300 -0.322 0.000 1.339 258 I CB -1.046 36.621 38.000 -0.554 0.000 1.039 258 I HN 0.119 nan 8.210 nan 0.000 0.409 259 F N 2.409 122.250 119.950 -0.181 0.000 2.065 259 F HA -0.289 4.238 4.527 0.000 0.000 0.298 259 F C 2.234 177.968 175.800 -0.110 0.000 1.112 259 F CA 2.084 60.003 58.000 -0.135 0.000 1.212 259 F CB -0.389 38.537 39.000 -0.123 0.000 0.975 259 F HN 0.128 nan 8.300 nan 0.000 0.476 260 D N 0.352 120.736 120.400 -0.028 0.000 2.123 260 D HA -0.187 4.453 4.640 0.001 0.000 0.196 260 D C 2.202 178.398 176.300 -0.173 0.000 0.992 260 D CA 1.509 55.448 54.000 -0.100 0.000 0.833 260 D CB -0.769 40.035 40.800 0.008 0.000 0.954 260 D HN 0.352 nan 8.370 nan 0.000 0.455 261 L N 0.456 121.591 121.223 -0.147 0.000 1.994 261 L HA -0.119 4.221 4.340 0.001 0.000 0.208 261 L C 2.108 178.891 176.870 -0.145 0.000 1.071 261 L CA 1.412 56.172 54.840 -0.134 0.000 0.745 261 L CB -0.848 41.139 42.059 -0.119 0.000 0.892 261 L HN 0.030 nan 8.230 nan 0.000 0.431 262 L N 0.099 121.213 121.223 -0.181 0.000 2.043 262 L HA -0.163 4.177 4.340 0.001 0.000 0.212 262 L C 2.510 179.234 176.870 -0.243 0.000 1.075 262 L CA 2.190 56.918 54.840 -0.186 0.000 0.752 262 L CB -1.177 40.756 42.059 -0.209 0.000 0.891 262 L HN 0.359 nan 8.230 nan 0.000 0.432 263 A N -1.555 121.041 122.820 -0.374 0.000 1.877 263 A HA -0.200 4.121 4.320 0.001 0.000 0.216 263 A C 2.372 179.850 177.584 -0.176 0.000 1.186 263 A CA 2.045 53.882 52.037 -0.333 0.000 0.620 263 A CB -1.030 17.704 19.000 -0.444 0.000 0.822 263 A HN 0.537 nan 8.150 nan 0.000 0.443 264 S N 0.766 116.379 115.700 -0.144 0.000 2.370 264 S HA -0.191 4.279 4.470 0.001 0.000 0.226 264 S C 1.883 176.444 174.600 -0.067 0.000 1.033 264 S CA 1.497 59.645 58.200 -0.088 0.000 1.011 264 S CB -0.555 62.599 63.200 -0.077 0.000 0.852 264 S HN 0.673 nan 8.310 nan 0.000 0.457 265 N N 2.151 120.809 118.700 -0.070 0.000 2.069 265 N HA -0.051 4.690 4.740 0.001 0.000 0.191 265 N C 1.578 177.067 175.510 -0.036 0.000 1.031 265 N CA 1.446 54.471 53.050 -0.041 0.000 0.852 265 N CB -0.609 37.858 38.487 -0.033 0.000 1.018 265 N HN 0.467 nan 8.380 nan 0.000 0.423 266 A N -0.542 122.245 122.820 -0.055 0.000 2.206 266 A HA 0.381 4.701 4.320 0.001 0.000 0.211 266 A C 1.351 178.920 177.584 -0.025 0.000 1.158 266 A CA 0.905 52.921 52.037 -0.035 0.000 0.761 266 A CB -0.423 18.551 19.000 -0.043 0.000 0.801 266 A HN 0.379 nan 8.150 nan 0.000 0.473 267 G N -2.722 106.058 108.800 -0.033 0.000 2.142 267 G HA2 -0.231 3.730 3.960 0.001 0.000 0.225 267 G HA3 -0.231 3.730 3.960 0.001 0.000 0.225 267 G C 0.332 175.218 174.900 -0.024 0.000 1.015 267 G CA 0.104 45.191 45.100 -0.022 0.000 0.716 267 G HN 0.640 nan 8.290 nan 0.000 0.508 268 c N 0.523 119.098 118.600 -0.043 0.000 2.881 268 c HA 0.522 5.092 4.570 0.001 0.000 0.290 268 c C 2.589 176.653 174.090 -0.043 0.000 1.362 268 c CA 0.370 56.675 56.329 -0.039 0.000 1.757 268 c CB -0.547 41.931 42.510 -0.053 0.000 2.265 268 c HN 0.804 nan 8.230 nan 0.000 0.600 269 G N 1.754 110.528 108.800 -0.044 0.000 2.450 269 G HA2 -0.205 3.755 3.960 0.001 0.000 0.220 269 G HA3 -0.205 3.755 3.960 0.001 0.000 0.220 269 G C 1.651 176.542 174.900 -0.014 0.000 1.130 269 G CA 1.596 46.674 45.100 -0.037 0.000 0.760 269 G HN 0.649 nan 8.290 nan 0.000 0.557 270 S N -0.141 115.554 115.700 -0.008 0.000 2.593 270 S HA 0.596 5.067 4.470 0.001 0.000 0.217 270 S C 1.179 175.784 174.600 0.009 0.000 0.966 270 S CA 0.357 58.558 58.200 0.001 0.000 0.914 270 S CB 0.182 63.382 63.200 0.000 0.000 0.776 270 S HN 0.560 nan 8.310 nan 0.000 0.523 271 A N 2.119 124.946 122.820 0.011 0.000 2.425 271 A HA 0.539 4.860 4.320 0.001 0.000 0.249 271 A C 1.426 179.029 177.584 0.032 0.000 1.084 271 A CA 0.037 52.088 52.037 0.023 0.000 0.781 271 A CB 0.296 19.312 19.000 0.027 0.000 1.019 271 A HN 0.534 nan 8.150 nan 0.000 0.490 272 S N 0.516 116.236 115.700 0.032 0.000 2.436 272 S HA -0.034 4.436 4.470 0.001 0.000 0.228 272 S C 0.388 175.016 174.600 0.047 0.000 1.014 272 S CA 1.127 59.347 58.200 0.034 0.000 0.950 272 S CB -0.063 63.153 63.200 0.026 0.000 0.784 272 S HN 0.746 nan 8.310 nan 0.000 0.504 273 D N 0.894 121.327 120.400 0.056 0.000 2.404 273 D HA 0.358 4.998 4.640 0.001 0.000 0.267 273 D C 0.522 176.881 176.300 0.100 0.000 1.194 273 D CA -0.446 53.599 54.000 0.075 0.000 0.910 273 D CB 0.787 41.624 40.800 0.063 0.000 1.090 273 D HN 0.075 nan 8.370 nan 0.000 0.511 274 K N 1.447 121.928 120.400 0.135 0.000 2.152 274 K HA -0.150 4.171 4.320 0.001 0.000 0.206 274 K C 1.619 178.327 176.600 0.181 0.000 1.048 274 K CA 0.660 57.026 56.287 0.133 0.000 0.933 274 K CB 0.181 32.773 32.500 0.153 0.000 0.721 274 K HN 0.286 nan 8.250 nan 0.000 0.447 275 L N 1.113 122.502 121.223 0.277 0.000 2.017 275 L HA -0.142 4.199 4.340 0.001 0.000 0.208 275 L C 2.274 179.277 176.870 0.223 0.000 1.073 275 L CA 1.822 56.833 54.840 0.285 0.000 0.745 275 L CB -0.835 41.357 42.059 0.221 0.000 0.894 275 L HN 0.135 nan 8.230 nan 0.000 0.432 276 A N -1.687 121.225 122.820 0.154 0.000 1.902 276 A HA -0.281 4.039 4.320 0.001 0.000 0.217 276 A C 2.548 180.195 177.584 0.105 0.000 1.181 276 A CA 1.704 53.811 52.037 0.117 0.000 0.623 276 A CB -1.576 17.473 19.000 0.083 0.000 0.818 276 A HN 0.645 nan 8.150 nan 0.000 0.443 277 c N -0.390 118.265 118.600 0.091 0.000 2.413 277 c HA -0.096 4.475 4.570 0.001 0.000 0.276 277 c C 2.622 176.760 174.090 0.080 0.000 1.236 277 c CA 1.281 57.649 56.329 0.065 0.000 1.735 277 c CB -1.613 40.922 42.510 0.041 0.000 2.031 277 c HN 0.594 nan 8.230 nan 0.000 0.474 278 L N 0.102 121.396 121.223 0.118 0.000 2.131 278 L HA -0.119 4.221 4.340 0.001 0.000 0.210 278 L C 2.915 179.912 176.870 0.212 0.000 1.092 278 L CA 1.523 56.471 54.840 0.181 0.000 0.759 278 L CB -0.610 41.599 42.059 0.251 0.000 0.903 278 L HN 0.349 nan 8.230 nan 0.000 0.435 279 R N -0.468 120.139 120.500 0.179 0.000 2.189 279 R HA -0.035 4.306 4.340 0.001 0.000 0.218 279 R C 2.253 178.574 176.300 0.036 0.000 1.074 279 R CA 0.887 57.025 56.100 0.063 0.000 0.991 279 R CB -0.315 30.022 30.300 0.062 0.000 0.883 279 R HN 0.387 nan 8.270 nan 0.000 0.457 280 G N 0.919 109.752 108.800 0.055 0.000 2.551 280 G HA2 -0.040 3.920 3.960 0.001 0.000 0.216 280 G HA3 -0.040 3.920 3.960 0.001 0.000 0.216 280 G C 0.710 175.633 174.900 0.037 0.000 1.137 280 G CA 0.259 45.382 45.100 0.039 0.000 0.798 280 G HN 0.189 nan 8.290 nan 0.000 0.536 281 V N 0.772 120.713 119.914 0.046 0.000 2.963 281 V HA 0.521 4.641 4.120 0.001 0.000 0.306 281 V C 0.670 176.794 176.094 0.050 0.000 1.077 281 V CA -0.721 61.605 62.300 0.044 0.000 1.124 281 V CB 0.852 32.702 31.823 0.045 0.000 0.987 281 V HN 0.356 nan 8.190 nan 0.000 0.487 282 S N 3.013 118.742 115.700 0.048 0.000 2.596 282 S HA 0.139 4.609 4.470 0.001 0.000 0.260 282 S C 1.192 175.843 174.600 0.084 0.000 1.336 282 S CA 0.247 58.479 58.200 0.053 0.000 0.993 282 S CB 0.738 63.965 63.200 0.044 0.000 0.923 282 S HN 1.005 nan 8.310 nan 0.000 0.567 283 S N 0.825 116.579 115.700 0.090 0.000 2.382 283 S HA -0.116 4.355 4.470 0.001 0.000 0.228 283 S C 1.422 176.116 174.600 0.157 0.000 1.027 283 S CA 1.268 59.553 58.200 0.141 0.000 0.991 283 S CB -0.616 62.634 63.200 0.083 0.000 0.823 283 S HN 0.756 nan 8.310 nan 0.000 0.469 284 D N 1.219 121.679 120.400 0.101 0.000 2.117 284 D HA -0.073 4.567 4.640 0.001 0.000 0.197 284 D C 1.817 178.175 176.300 0.096 0.000 0.987 284 D CA 1.368 55.422 54.000 0.092 0.000 0.829 284 D CB -0.344 40.491 40.800 0.059 0.000 0.961 284 D HN 0.335 nan 8.370 nan 0.000 0.460 285 T N 1.473 116.075 114.554 0.080 0.000 2.821 285 T HA -0.118 4.232 4.350 0.001 0.000 0.267 285 T C 1.919 176.660 174.700 0.069 0.000 1.046 285 T CA 0.357 62.494 62.100 0.062 0.000 1.139 285 T CB -0.144 68.751 68.868 0.045 0.000 0.871 285 T HN -0.001 nan 8.240 nan 0.000 0.454 286 L N 1.348 122.636 121.223 0.108 0.000 2.044 286 L HA 0.082 4.422 4.340 0.001 0.000 0.205 286 L C 2.493 179.439 176.870 0.126 0.000 1.075 286 L CA 1.836 56.728 54.840 0.087 0.000 0.747 286 L CB -0.659 41.493 42.059 0.156 0.000 0.903 286 L HN 0.271 nan 8.230 nan 0.000 0.435 287 E N -0.812 119.583 120.200 0.325 0.000 2.085 287 E HA -0.308 4.042 4.350 0.001 0.000 0.194 287 E C 1.824 178.543 176.600 0.199 0.000 0.994 287 E CA 1.769 58.416 56.400 0.411 0.000 0.801 287 E CB -0.186 29.712 29.700 0.329 0.000 0.743 287 E HN 0.642 nan 8.360 nan 0.000 0.453 288 D N -0.377 120.097 120.400 0.124 0.000 2.084 288 D HA -0.105 4.535 4.640 0.001 0.000 0.196 288 D C 1.930 178.260 176.300 0.050 0.000 0.985 288 D CA 1.818 55.863 54.000 0.075 0.000 0.826 288 D CB -0.198 40.636 40.800 0.056 0.000 0.978 288 D HN 0.303 nan 8.370 nan 0.000 0.456 289 A N -0.615 122.221 122.820 0.027 0.000 1.940 289 A HA -0.182 4.138 4.320 0.001 0.000 0.219 289 A C 2.325 179.907 177.584 -0.005 0.000 1.176 289 A CA 2.205 54.241 52.037 -0.002 0.000 0.631 289 A CB -1.008 17.971 19.000 -0.035 0.000 0.814 289 A HN 0.329 nan 8.150 nan 0.000 0.446 290 T N 0.599 115.136 114.554 -0.029 0.000 2.857 290 T HA -0.083 4.267 4.350 0.001 0.000 0.266 290 T C 1.588 176.337 174.700 0.080 0.000 1.048 290 T CA 1.279 63.366 62.100 -0.022 0.000 1.139 290 T CB -0.349 68.393 68.868 -0.210 0.000 0.874 290 T HN 0.493 nan 8.240 nan 0.000 0.455 291 N N 1.907 120.657 118.700 0.083 0.000 2.573 291 N HA 0.019 4.759 4.740 0.001 0.000 0.187 291 N C 1.010 176.556 175.510 0.060 0.000 1.107 291 N CA 0.402 53.498 53.050 0.077 0.000 0.918 291 N CB -0.201 38.326 38.487 0.066 0.000 0.966 291 N HN 0.393 nan 8.380 nan 0.000 0.448 292 N N 0.350 119.090 118.700 0.067 0.000 2.251 292 N HA 0.011 4.752 4.740 0.001 0.000 0.217 292 N C -0.071 175.515 175.510 0.126 0.000 1.124 292 N CA 0.148 53.246 53.050 0.079 0.000 0.843 292 N CB 0.818 39.347 38.487 0.070 0.000 1.024 292 N HN 0.260 nan 8.380 nan 0.000 0.501 293 T N -1.991 112.637 114.554 0.123 0.000 2.932 293 T HA 0.493 4.843 4.350 0.001 0.000 0.289 293 T C -3.064 171.712 174.700 0.126 0.000 1.039 293 T CA -2.324 59.866 62.100 0.150 0.000 1.024 293 T CB 2.361 71.296 68.868 0.111 0.000 1.090 293 T HN -0.247 nan 8.240 nan 0.000 0.496 294 P HA 0.297 nan 4.420 nan 0.000 0.264 294 P C 0.287 177.655 177.300 0.113 0.000 1.193 294 P CA 0.220 63.377 63.100 0.095 0.000 0.763 294 P CB 0.218 32.007 31.700 0.148 0.000 0.810 295 G N 2.267 111.104 108.800 0.062 0.000 2.477 295 G HA2 0.324 4.285 3.960 0.001 0.000 0.304 295 G HA3 0.324 4.285 3.960 0.001 0.000 0.304 295 G C 0.488 175.421 174.900 0.056 0.000 1.175 295 G CA -0.707 44.393 45.100 -0.000 0.000 0.907 295 G HN 0.475 nan 8.290 nan 0.000 0.509 296 F N -0.708 119.375 119.950 0.223 0.000 2.250 296 F HA 0.015 4.542 4.527 0.001 0.000 0.301 296 F C 1.724 177.675 175.800 0.253 0.000 1.077 296 F CA 0.788 58.941 58.000 0.255 0.000 1.348 296 F CB -0.516 38.667 39.000 0.304 0.000 1.040 296 F HN 0.184 nan 8.300 nan 0.000 0.509 297 L N 0.045 121.437 121.223 0.281 0.000 2.558 297 L HA 0.349 4.689 4.340 0.001 0.000 0.225 297 L C 1.805 178.790 176.870 0.192 0.000 1.128 297 L CA -0.017 55.002 54.840 0.299 0.000 0.868 297 L CB -0.767 41.406 42.059 0.190 0.000 1.006 297 L HN 0.275 nan 8.230 nan 0.000 0.454 298 A N -0.790 122.117 122.820 0.145 0.000 2.346 298 A HA -0.101 4.220 4.320 0.001 0.000 0.255 298 A C 0.896 178.609 177.584 0.215 0.000 1.113 298 A CA 0.013 52.129 52.037 0.132 0.000 0.798 298 A CB -0.139 18.910 19.000 0.081 0.000 1.073 298 A HN 0.272 nan 8.150 nan 0.000 0.502 299 Y N 0.531 120.871 120.300 0.066 0.000 2.241 299 Y HA -0.214 4.336 4.550 0.000 0.000 0.286 299 Y C 2.572 178.597 175.900 0.207 0.000 1.166 299 Y CA 2.369 60.530 58.100 0.102 0.000 1.203 299 Y CB -0.360 38.133 38.460 0.054 0.000 0.977 299 Y HN 0.528 nan 8.280 nan 0.000 0.529 300 S N -0.673 115.142 115.700 0.192 0.000 2.400 300 S HA -0.200 4.270 4.470 0.001 0.000 0.232 300 S C 1.382 176.030 174.600 0.081 0.000 1.025 300 S CA 0.886 59.140 58.200 0.090 0.000 0.993 300 S CB -0.666 62.622 63.200 0.148 0.000 0.808 300 S HN 0.649 nan 8.310 nan 0.000 0.478 301 S N 0.031 115.844 115.700 0.188 0.000 3.938 301 S HA -0.296 4.174 4.470 0.001 0.000 0.624 301 S C 0.986 175.720 174.600 0.224 0.000 2.186 301 S CA 1.121 59.483 58.200 0.271 0.000 4.144 301 S CB -1.560 61.807 63.200 0.278 0.000 0.230 301 S HN 0.374 nan 8.310 nan 0.000 0.755 302 L N 2.491 123.793 121.223 0.132 0.000 2.137 302 L HA -0.031 4.309 4.340 0.001 0.000 0.213 302 L C 1.954 178.846 176.870 0.037 0.000 1.085 302 L CA 2.488 57.334 54.840 0.010 0.000 0.760 302 L CB -0.422 41.595 42.059 -0.070 0.000 0.893 302 L HN 0.511 nan 8.230 nan 0.000 0.434 303 R N 0.906 121.409 120.500 0.005 0.000 3.641 303 R HA 0.104 4.444 4.340 0.001 0.000 0.189 303 R C -0.568 175.808 176.300 0.127 0.000 1.706 303 R CA -0.226 55.864 56.100 -0.016 0.000 1.311 303 R CB -0.743 29.438 30.300 -0.199 0.000 1.330 303 R HN 0.286 nan 8.270 nan 0.000 0.727 304 L N 1.658 122.974 121.223 0.156 0.000 2.461 304 L HA 0.007 4.347 4.340 0.001 0.000 0.272 304 L C 1.539 178.500 176.870 0.152 0.000 1.197 304 L CA -0.133 54.825 54.840 0.196 0.000 0.836 304 L CB 1.201 43.386 42.059 0.210 0.000 1.105 304 L HN 0.475 nan 8.230 nan 0.000 0.477 305 S N 0.510 116.213 115.700 0.005 0.000 2.406 305 S HA -0.009 4.462 4.470 0.001 0.000 0.228 305 S C -0.277 173.896 174.600 -0.712 0.000 1.020 305 S CA 0.993 58.925 58.200 -0.447 0.000 0.965 305 S CB -0.051 62.754 63.200 -0.658 0.000 0.798 305 S HN 0.398 nan 8.310 nan 0.000 0.488 306 Y N 1.172 121.539 120.300 0.112 0.000 2.361 306 Y HA 0.719 5.269 4.550 0.000 0.000 0.337 306 Y C -0.294 175.579 175.900 -0.045 0.000 0.965 306 Y CA -1.310 56.856 58.100 0.109 0.000 1.091 306 Y CB 1.203 39.809 38.460 0.242 0.000 1.182 306 Y HN 0.031 nan 8.280 nan 0.000 0.450 307 L N 0.416 121.548 121.223 -0.151 0.000 2.947 307 L HA 0.730 5.070 4.340 0.001 0.000 0.267 307 L C -3.383 173.089 176.870 -0.664 0.000 1.004 307 L CA -2.487 51.885 54.840 -0.781 0.000 0.937 307 L CB 2.175 43.911 42.059 -0.539 0.000 1.496 307 L HN 0.158 nan 8.230 nan 0.000 0.409 308 P HA 0.290 nan 4.420 nan 0.000 0.264 308 P C -1.324 175.849 177.300 -0.210 0.000 1.193 308 P CA 0.224 63.111 63.100 -0.354 0.000 0.763 308 P CB 0.459 31.924 31.700 -0.392 0.000 0.810 309 R N 4.325 124.787 120.500 -0.063 0.000 2.628 309 R HA 0.404 4.744 4.340 0.001 0.000 0.288 309 R C -2.679 173.597 176.300 -0.039 0.000 0.980 309 R CA -2.301 53.759 56.100 -0.066 0.000 0.891 309 R CB 1.678 31.960 30.300 -0.030 0.000 1.188 309 R HN 0.257 nan 8.270 nan 0.000 0.450 310 P HA -0.061 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 0.479 63.549 63.100 -0.050 0.000 0.761 310 P CB 0.562 32.238 31.700 -0.040 0.000 0.795 311 D N 1.578 121.940 120.400 -0.063 0.000 2.449 311 D HA 0.131 4.772 4.640 0.001 0.000 0.210 311 D C 1.397 177.656 176.300 -0.070 0.000 1.094 311 D CA 0.379 54.343 54.000 -0.060 0.000 0.846 311 D CB -0.477 40.285 40.800 -0.062 0.000 1.003 311 D HN 0.479 nan 8.370 nan 0.000 0.504 312 G N -0.234 108.518 108.800 -0.081 0.000 2.179 312 G HA2 -0.321 3.640 3.960 0.001 0.000 0.260 312 G HA3 -0.321 3.640 3.960 0.001 0.000 0.260 312 G C 0.877 175.722 174.900 -0.093 0.000 0.977 312 G CA 0.716 45.772 45.100 -0.073 0.000 0.641 312 G HN 0.386 nan 8.290 nan 0.000 0.533 313 V N -0.588 119.247 119.914 -0.131 0.000 3.001 313 V HA 0.180 4.300 4.120 0.001 0.000 0.228 313 V C 1.978 177.916 176.094 -0.260 0.000 1.204 313 V CA 1.836 64.045 62.300 -0.151 0.000 1.247 313 V CB -0.406 31.345 31.823 -0.120 0.000 1.093 313 V HN 0.283 nan 8.190 nan 0.000 0.504 314 N N -0.322 118.123 118.700 -0.424 0.000 2.388 314 N HA 0.341 5.081 4.740 0.001 0.000 0.176 314 N C 0.122 175.155 175.510 -0.794 0.000 1.062 314 N CA 0.351 52.889 53.050 -0.853 0.000 0.895 314 N CB 0.811 38.399 38.487 -1.498 0.000 1.018 314 N HN 0.350 nan 8.380 nan 0.000 0.456 315 I N 1.136 121.433 120.570 -0.456 0.000 2.495 315 I HA 0.103 4.273 4.170 0.001 0.000 0.277 315 I C 0.674 176.701 176.117 -0.150 0.000 1.045 315 I CA -0.297 60.867 61.300 -0.226 0.000 1.135 315 I CB 1.515 39.440 38.000 -0.125 0.000 1.241 315 I HN 0.094 nan 8.210 nan 0.000 0.469 316 T N -0.322 114.162 114.554 -0.116 0.000 3.113 316 T HA 0.041 4.392 4.350 0.001 0.000 0.263 316 T C 0.342 175.018 174.700 -0.040 0.000 1.143 316 T CA 0.649 62.701 62.100 -0.079 0.000 1.090 316 T CB 0.060 68.887 68.868 -0.068 0.000 0.922 316 T HN 0.565 nan 8.240 nan 0.000 0.521 317 D N -0.338 120.048 120.400 -0.022 0.000 2.764 317 D HA 0.185 4.825 4.640 0.001 0.000 0.293 317 D C -1.812 174.508 176.300 0.033 0.000 1.287 317 D CA -0.716 53.289 54.000 0.009 0.000 0.768 317 D CB 0.959 41.771 40.800 0.020 0.000 1.288 317 D HN -0.013 nan 8.370 nan 0.000 0.426 318 D N 1.034 121.481 120.400 0.078 0.000 2.752 318 D HA -0.117 4.524 4.640 0.001 0.000 0.225 318 D C 1.299 177.681 176.300 0.137 0.000 1.104 318 D CA 0.705 54.801 54.000 0.159 0.000 0.832 318 D CB 0.564 41.515 40.800 0.251 0.000 1.161 318 D HN 0.417 nan 8.370 nan 0.000 0.505 319 M N 3.402 123.053 119.600 0.085 0.000 2.296 319 M HA -0.195 4.286 4.480 0.001 0.000 0.265 319 M C 1.213 177.553 176.300 0.067 0.000 1.064 319 M CA 0.966 56.289 55.300 0.037 0.000 1.109 319 M CB -0.170 32.381 32.600 -0.082 0.000 1.396 319 M HN 0.513 nan 8.290 nan 0.000 0.430 320 Y N 0.136 120.489 120.300 0.088 0.000 2.314 320 Y HA -0.036 4.514 4.550 0.000 0.000 0.293 320 Y C 2.644 178.623 175.900 0.132 0.000 1.129 320 Y CA 1.295 59.446 58.100 0.086 0.000 1.201 320 Y CB -0.685 37.761 38.460 -0.023 0.000 0.999 320 Y HN 0.201 nan 8.280 nan 0.000 0.541 321 A N -0.131 122.842 122.820 0.255 0.000 1.929 321 A HA -0.095 4.226 4.320 0.001 0.000 0.216 321 A C 2.191 179.853 177.584 0.130 0.000 1.176 321 A CA 1.161 53.296 52.037 0.163 0.000 0.628 321 A CB -0.991 18.084 19.000 0.125 0.000 0.816 321 A HN 0.441 nan 8.150 nan 0.000 0.444 322 L N -0.386 120.914 121.223 0.128 0.000 2.042 322 L HA -0.181 4.159 4.340 0.001 0.000 0.210 322 L C 2.499 179.477 176.870 0.179 0.000 1.076 322 L CA 1.167 56.076 54.840 0.115 0.000 0.749 322 L CB -0.595 41.530 42.059 0.110 0.000 0.893 322 L HN 0.255 nan 8.230 nan 0.000 0.432 323 V N -0.404 119.662 119.914 0.253 0.000 2.358 323 V HA -0.236 3.885 4.120 0.001 0.000 0.246 323 V C 2.581 178.866 176.094 0.318 0.000 1.047 323 V CA 1.597 64.141 62.300 0.407 0.000 1.035 323 V CB -0.620 31.414 31.823 0.352 0.000 0.658 323 V HN 0.399 nan 8.190 nan 0.000 0.452 324 R N 0.123 120.721 120.500 0.164 0.000 2.096 324 R HA -0.134 4.206 4.340 0.001 0.000 0.235 324 R C 1.980 178.343 176.300 0.105 0.000 1.127 324 R CA 1.436 57.598 56.100 0.103 0.000 0.968 324 R CB -0.214 30.116 30.300 0.050 0.000 0.861 324 R HN 0.621 nan 8.270 nan 0.000 0.440 325 E N -0.462 119.779 120.200 0.068 0.000 2.502 325 E HA 0.051 4.401 4.350 0.001 0.000 0.194 325 E C 0.676 177.223 176.600 -0.089 0.000 1.062 325 E CA 0.290 56.693 56.400 0.005 0.000 0.867 325 E CB 0.421 30.125 29.700 0.006 0.000 0.888 325 E HN 0.497 nan 8.360 nan 0.000 0.510 326 G N 2.440 111.141 108.800 -0.166 0.000 2.179 326 G HA2 -0.346 3.615 3.960 0.001 0.000 0.257 326 G HA3 -0.346 3.615 3.960 0.001 0.000 0.257 326 G C 0.167 174.591 174.900 -0.793 0.000 1.010 326 G CA 0.247 44.978 45.100 -0.615 0.000 0.736 326 G HN 0.234 nan 8.290 nan 0.000 0.513 327 K N 0.348 120.502 120.400 -0.411 0.000 2.758 327 K HA 0.457 4.777 4.320 0.001 0.000 0.250 327 K C -0.133 176.448 176.600 -0.031 0.000 1.268 327 K CA -0.252 55.916 56.287 -0.199 0.000 1.228 327 K CB -0.064 32.404 32.500 -0.055 0.000 1.715 327 K HN 0.640 nan 8.250 nan 0.000 0.334 328 Y N -2.213 118.182 120.300 0.158 0.000 2.644 328 Y HA 0.663 5.213 4.550 0.001 0.000 0.338 328 Y C -0.482 175.549 175.900 0.219 0.000 1.119 328 Y CA -2.271 55.972 58.100 0.237 0.000 1.060 328 Y CB 0.425 39.117 38.460 0.387 0.000 1.294 328 Y HN 0.027 nan 8.280 nan 0.000 0.472 329 A N 0.973 124.116 122.820 0.537 0.000 2.371 329 A HA 0.378 4.698 4.320 0.001 0.000 0.257 329 A C -0.683 177.180 177.584 0.465 0.000 1.089 329 A CA -0.751 51.514 52.037 0.380 0.000 0.794 329 A CB -0.470 18.712 19.000 0.303 0.000 1.029 329 A HN 0.830 nan 8.150 nan 0.000 0.488 330 N N 1.044 119.924 118.700 0.299 0.000 2.719 330 N HA 0.449 5.190 4.740 0.001 0.000 0.243 330 N C -0.609 175.037 175.510 0.227 0.000 1.104 330 N CA -0.044 53.157 53.050 0.252 0.000 0.981 330 N CB 0.235 38.806 38.487 0.141 0.000 1.290 330 N HN 0.673 nan 8.380 nan 0.000 0.513 331 I N -2.104 118.671 120.570 0.341 0.000 2.828 331 I HA 0.700 4.871 4.170 0.001 0.000 0.302 331 I C -2.684 173.639 176.117 0.343 0.000 1.101 331 I CA -2.910 58.566 61.300 0.293 0.000 1.031 331 I CB 2.489 40.681 38.000 0.321 0.000 1.231 331 I HN 0.064 nan 8.210 nan 0.000 0.427 332 P HA 0.223 nan 4.420 nan 0.000 0.275 332 P C -0.783 176.812 177.300 0.491 0.000 1.228 332 P CA -0.080 63.244 63.100 0.373 0.000 0.786 332 P CB 1.580 33.473 31.700 0.322 0.000 0.927 333 V N 0.635 120.795 119.914 0.411 0.000 2.971 333 V HA 0.622 4.742 4.120 0.001 0.000 0.309 333 V C -0.746 175.347 176.094 -0.003 0.000 1.130 333 V CA -1.029 61.399 62.300 0.214 0.000 0.964 333 V CB 2.179 34.044 31.823 0.069 0.000 1.029 333 V HN 0.338 nan 8.190 nan 0.000 0.427 334 I N 4.044 124.476 120.570 -0.230 0.000 2.433 334 I HA 0.657 4.827 4.170 0.001 0.000 0.292 334 I C -0.861 175.258 176.117 0.004 0.000 1.001 334 I CA -0.660 60.521 61.300 -0.197 0.000 1.119 334 I CB 1.986 39.705 38.000 -0.469 0.000 1.289 334 I HN 0.767 nan 8.210 nan 0.000 0.438 335 I N 5.160 125.807 120.570 0.129 0.000 2.586 335 I HA 0.712 4.882 4.170 0.001 0.000 0.288 335 I C -0.717 175.379 176.117 -0.035 0.000 1.147 335 I CA 0.086 61.420 61.300 0.058 0.000 1.047 335 I CB 1.608 39.586 38.000 -0.037 0.000 1.244 335 I HN 0.656 nan 8.210 nan 0.000 0.429 336 G N 5.081 113.704 108.800 -0.294 0.000 2.766 336 G HA2 0.595 4.555 3.960 0.001 0.000 0.288 336 G HA3 0.595 4.555 3.960 0.001 0.000 0.288 336 G C -1.945 172.564 174.900 -0.652 0.000 1.408 336 G CA -0.391 44.053 45.100 -1.092 0.000 0.852 336 G HN 0.510 nan 8.290 nan 0.000 0.487 337 D N -1.055 119.013 120.400 -0.554 0.000 2.610 337 D HA 0.389 5.029 4.640 0.001 0.000 0.271 337 D C -0.850 175.486 176.300 0.061 0.000 1.174 337 D CA -0.391 53.560 54.000 -0.081 0.000 0.949 337 D CB 2.298 43.138 40.800 0.067 0.000 1.430 337 D HN 0.101 nan 8.370 nan 0.000 0.467 338 Q N 1.026 120.915 119.800 0.149 0.000 2.245 338 Q HA 0.247 4.588 4.340 0.001 0.000 0.256 338 Q C 0.733 176.834 176.000 0.168 0.000 0.942 338 Q CA -0.300 55.607 55.803 0.174 0.000 0.896 338 Q CB 1.672 30.504 28.738 0.156 0.000 1.272 338 Q HN 0.518 nan 8.270 nan 0.000 0.442 339 N N 1.564 120.355 118.700 0.152 0.000 2.137 339 N HA -0.165 4.575 4.740 0.001 0.000 0.190 339 N C -0.569 175.113 175.510 0.288 0.000 1.017 339 N CA 1.014 54.166 53.050 0.170 0.000 0.859 339 N CB 0.435 39.008 38.487 0.144 0.000 1.002 339 N HN 0.469 nan 8.380 nan 0.000 0.428 340 D N 0.747 121.283 120.400 0.226 0.000 2.863 340 D HA 0.070 4.710 4.640 0.001 0.000 0.323 340 D C 0.398 176.824 176.300 0.211 0.000 1.286 340 D CA -0.154 53.959 54.000 0.189 0.000 0.921 340 D CB 0.794 41.658 40.800 0.107 0.000 1.024 340 D HN 0.209 nan 8.370 nan 0.000 0.505 341 E N 0.407 120.749 120.200 0.236 0.000 2.160 341 E HA -0.123 4.228 4.350 0.001 0.000 0.195 341 E C 1.929 178.693 176.600 0.273 0.000 0.991 341 E CA 0.699 57.213 56.400 0.190 0.000 0.810 341 E CB 0.086 29.874 29.700 0.146 0.000 0.742 341 E HN 0.401 nan 8.360 nan 0.000 0.466 342 G N 1.090 110.061 108.800 0.284 0.000 2.880 342 G HA2 -0.128 3.833 3.960 0.001 0.000 0.209 342 G HA3 -0.128 3.833 3.960 0.001 0.000 0.209 342 G C 1.626 176.662 174.900 0.227 0.000 1.157 342 G CA 0.903 46.218 45.100 0.359 0.000 0.779 342 G HN 0.348 nan 8.290 nan 0.000 0.539 343 T N -1.355 113.247 114.554 0.080 0.000 2.849 343 T HA -0.109 4.241 4.350 0.001 0.000 0.270 343 T C 1.981 176.702 174.700 0.035 0.000 1.066 343 T CA 0.686 62.778 62.100 -0.013 0.000 1.130 343 T CB -0.375 68.480 68.868 -0.022 0.000 0.864 343 T HN 0.060 nan 8.240 nan 0.000 0.481 344 F N 1.489 121.422 119.950 -0.028 0.000 2.084 344 F HA 0.166 4.694 4.527 0.001 0.000 0.296 344 F C 1.914 177.597 175.800 -0.194 0.000 1.111 344 F CA 0.606 58.476 58.000 -0.216 0.000 1.224 344 F CB -0.650 38.037 39.000 -0.522 0.000 0.991 344 F HN 0.125 nan 8.300 nan 0.000 0.471 345 F N -0.484 119.683 119.950 0.363 0.000 2.293 345 F HA 0.010 4.538 4.527 0.000 0.000 0.300 345 F C 2.571 178.508 175.800 0.228 0.000 1.086 345 F CA 0.965 59.134 58.000 0.282 0.000 1.375 345 F CB -1.537 37.611 39.000 0.247 0.000 1.045 345 F HN -0.045 nan 8.300 nan 0.000 0.516 346 G N -0.368 108.634 108.800 0.337 0.000 2.509 346 G HA2 -0.193 3.768 3.960 0.001 0.000 0.218 346 G HA3 -0.193 3.768 3.960 0.001 0.000 0.218 346 G C 1.678 176.804 174.900 0.375 0.000 1.124 346 G CA 1.220 46.487 45.100 0.277 0.000 0.776 346 G HN 0.422 nan 8.290 nan 0.000 0.547 347 T N -1.980 112.766 114.554 0.320 0.000 3.035 347 T HA 0.011 4.362 4.350 0.001 0.000 0.268 347 T C 2.263 177.038 174.700 0.125 0.000 1.109 347 T CA 1.359 63.560 62.100 0.169 0.000 1.119 347 T CB -0.106 68.804 68.868 0.070 0.000 0.900 347 T HN 0.089 nan 8.240 nan 0.000 0.503 348 S N 1.799 117.601 115.700 0.169 0.000 2.561 348 S HA 0.087 4.558 4.470 0.001 0.000 0.225 348 S C 1.394 176.056 174.600 0.104 0.000 0.977 348 S CA 0.563 58.856 58.200 0.155 0.000 0.926 348 S CB -0.114 63.215 63.200 0.216 0.000 0.769 348 S HN 0.808 nan 8.310 nan 0.000 0.533 349 S N 0.332 116.033 115.700 0.002 0.000 2.740 349 S HA 0.376 4.847 4.470 0.001 0.000 0.244 349 S C 0.522 175.085 174.600 -0.061 0.000 1.101 349 S CA -0.456 57.666 58.200 -0.130 0.000 1.123 349 S CB -0.527 62.214 63.200 -0.765 0.000 1.012 349 S HN 0.275 nan 8.310 nan 0.000 0.491 350 L N 1.816 123.041 121.223 0.004 0.000 2.622 350 L HA 0.086 4.427 4.340 0.001 0.000 0.233 350 L C 1.753 178.607 176.870 -0.026 0.000 1.156 350 L CA 0.257 55.087 54.840 -0.015 0.000 0.866 350 L CB -0.536 41.490 42.059 -0.055 0.000 0.980 350 L HN 0.552 nan 8.230 nan 0.000 0.448 351 N N -0.770 117.921 118.700 -0.016 0.000 2.268 351 N HA 0.009 4.749 4.740 0.001 0.000 0.204 351 N C -0.063 175.430 175.510 -0.028 0.000 1.124 351 N CA -0.005 53.026 53.050 -0.031 0.000 0.838 351 N CB 0.323 38.775 38.487 -0.059 0.000 0.994 351 N HN 0.030 nan 8.380 nan 0.000 0.489 352 V N 1.638 121.530 119.914 -0.037 0.000 2.347 352 V HA 0.316 4.436 4.120 0.001 0.000 0.280 352 V C 0.902 176.976 176.094 -0.032 0.000 1.021 352 V CA -0.164 62.104 62.300 -0.053 0.000 0.847 352 V CB 1.210 32.943 31.823 -0.150 0.000 0.990 352 V HN 0.478 nan 8.190 nan 0.000 0.444 353 T N -0.593 113.953 114.554 -0.014 0.000 2.969 353 T HA 0.141 4.492 4.350 0.001 0.000 0.258 353 T C 0.650 175.358 174.700 0.013 0.000 0.962 353 T CA 0.495 62.597 62.100 0.002 0.000 0.903 353 T CB 0.532 69.400 68.868 -0.000 0.000 1.177 353 T HN 0.665 nan 8.240 nan 0.000 0.511 354 T N -0.255 114.306 114.554 0.012 0.000 2.940 354 T HA 0.511 4.861 4.350 0.001 0.000 0.288 354 T C 0.040 174.758 174.700 0.031 0.000 1.033 354 T CA -0.529 61.586 62.100 0.024 0.000 1.033 354 T CB 1.836 70.717 68.868 0.022 0.000 1.079 354 T HN -0.201 nan 8.240 nan 0.000 0.496 355 D N 1.011 121.439 120.400 0.047 0.000 2.182 355 D HA -0.007 4.633 4.640 0.001 0.000 0.201 355 D C 2.251 178.589 176.300 0.062 0.000 0.986 355 D CA 1.686 55.725 54.000 0.066 0.000 0.847 355 D CB -0.499 40.347 40.800 0.077 0.000 0.942 355 D HN 0.743 nan 8.370 nan 0.000 0.467 356 A N 0.520 123.370 122.820 0.049 0.000 1.877 356 A HA -0.251 4.069 4.320 0.001 0.000 0.216 356 A C 2.085 179.695 177.584 0.043 0.000 1.186 356 A CA 1.501 53.567 52.037 0.047 0.000 0.620 356 A CB -0.630 18.392 19.000 0.037 0.000 0.822 356 A HN 0.212 nan 8.150 nan 0.000 0.443 357 Q N -0.643 119.175 119.800 0.029 0.000 2.119 357 Q HA -0.035 4.305 4.340 0.001 0.000 0.201 357 Q C 2.378 178.381 176.000 0.005 0.000 0.972 357 Q CA 1.247 57.065 55.803 0.025 0.000 0.847 357 Q CB -0.389 28.356 28.738 0.011 0.000 0.903 357 Q HN 0.685 nan 8.270 nan 0.000 0.433 358 A N 1.330 124.133 122.820 -0.028 0.000 1.902 358 A HA -0.231 4.090 4.320 0.001 0.000 0.217 358 A C 2.034 179.547 177.584 -0.119 0.000 1.181 358 A CA 1.599 53.549 52.037 -0.145 0.000 0.623 358 A CB -0.501 18.459 19.000 -0.066 0.000 0.818 358 A HN 0.249 nan 8.150 nan 0.000 0.443 359 R N -0.596 119.952 120.500 0.080 0.000 2.096 359 R HA -0.182 4.159 4.340 0.001 0.000 0.235 359 R C 2.067 178.452 176.300 0.142 0.000 1.127 359 R CA 1.828 58.041 56.100 0.188 0.000 0.968 359 R CB -0.185 30.206 30.300 0.152 0.000 0.861 359 R HN 0.471 nan 8.270 nan 0.000 0.440 360 E N -0.489 119.762 120.200 0.084 0.000 2.152 360 E HA -0.183 4.168 4.350 0.001 0.000 0.192 360 E C 1.522 178.163 176.600 0.069 0.000 0.983 360 E CA 0.979 57.424 56.400 0.074 0.000 0.818 360 E CB -0.368 29.374 29.700 0.070 0.000 0.758 360 E HN 0.441 nan 8.360 nan 0.000 0.467 361 Y N -0.079 120.154 120.300 -0.112 0.000 2.145 361 Y HA -0.181 4.369 4.550 0.000 0.000 0.286 361 Y C 1.615 177.401 175.900 -0.190 0.000 1.145 361 Y CA 1.669 59.649 58.100 -0.200 0.000 1.148 361 Y CB -0.577 37.664 38.460 -0.365 0.000 0.981 361 Y HN 0.032 nan 8.280 nan 0.000 0.507 362 F N 0.907 120.790 119.950 -0.111 0.000 2.126 362 F HA -0.190 4.337 4.527 0.000 0.000 0.299 362 F C 2.309 177.999 175.800 -0.183 0.000 1.096 362 F CA 1.506 59.413 58.000 -0.155 0.000 1.255 362 F CB -0.875 38.231 39.000 0.177 0.000 0.997 362 F HN 0.010 nan 8.300 nan 0.000 0.479 363 K N 0.066 120.526 120.400 0.100 0.000 2.097 363 K HA -0.194 4.126 4.320 0.001 0.000 0.206 363 K C 1.942 178.471 176.600 -0.118 0.000 1.049 363 K CA 1.391 57.687 56.287 0.015 0.000 0.933 363 K CB -0.431 32.088 32.500 0.033 0.000 0.717 363 K HN 0.446 nan 8.250 nan 0.000 0.442 364 Q N -0.146 119.545 119.800 -0.182 0.000 2.245 364 Q HA -0.016 4.324 4.340 0.001 0.000 0.201 364 Q C 2.046 177.804 176.000 -0.405 0.000 0.955 364 Q CA 0.942 56.609 55.803 -0.227 0.000 0.870 364 Q CB 0.233 28.890 28.738 -0.135 0.000 0.945 364 Q HN 0.175 nan 8.270 nan 0.000 0.461 365 S N 0.271 115.582 115.700 -0.650 0.000 2.377 365 S HA 0.010 4.480 4.470 0.001 0.000 0.223 365 S C 0.166 174.229 174.600 -0.895 0.000 1.030 365 S CA 0.684 58.315 58.200 -0.948 0.000 0.970 365 S CB 0.136 62.449 63.200 -1.477 0.000 0.830 365 S HN 0.193 nan 8.310 nan 0.000 0.473 366 F N 1.817 121.674 119.950 -0.154 0.000 2.334 366 F HA 0.342 4.869 4.527 0.000 0.000 0.343 366 F C 1.085 176.741 175.800 -0.240 0.000 1.136 366 F CA -1.670 56.233 58.000 -0.161 0.000 1.237 366 F CB -0.050 38.862 39.000 -0.147 0.000 1.525 366 F HN -0.090 nan 8.300 nan 0.000 0.528 367 V N -1.701 118.084 119.914 -0.215 0.000 2.867 367 V HA -0.210 3.910 4.120 0.001 0.000 0.260 367 V C 1.422 177.275 176.094 -0.403 0.000 1.099 367 V CA 1.814 63.911 62.300 -0.338 0.000 1.122 367 V CB -0.796 30.767 31.823 -0.432 0.000 0.708 367 V HN 0.652 nan 8.190 nan 0.000 0.490 368 H N 0.732 119.730 119.070 -0.120 0.000 2.551 368 H HA 0.612 5.168 4.556 0.000 0.000 0.271 368 H C 0.998 176.166 175.328 -0.268 0.000 0.984 368 H CA 0.526 56.469 56.048 -0.174 0.000 1.164 368 H CB 0.290 29.939 29.762 -0.188 0.000 1.437 368 H HN 0.623 nan 8.280 nan 0.000 0.550 369 A N 1.972 124.656 122.820 -0.227 0.000 2.274 369 A HA 0.385 4.705 4.320 0.001 0.000 0.309 369 A C 0.721 178.200 177.584 -0.175 0.000 1.226 369 A CA -0.515 51.315 52.037 -0.344 0.000 0.853 369 A CB 0.487 19.155 19.000 -0.552 0.000 1.146 369 A HN 0.306 nan 8.150 nan 0.000 0.518 370 S N 1.961 117.573 115.700 -0.146 0.000 2.593 370 S HA 0.113 4.583 4.470 0.001 0.000 0.269 370 S C 0.434 175.009 174.600 -0.042 0.000 1.334 370 S CA -0.168 57.986 58.200 -0.077 0.000 1.015 370 S CB 0.652 63.814 63.200 -0.065 0.000 0.912 370 S HN 0.644 nan 8.310 nan 0.000 0.541 371 D N 1.501 121.892 120.400 -0.016 0.000 2.158 371 D HA -0.143 4.497 4.640 0.001 0.000 0.197 371 D C 2.148 178.460 176.300 0.020 0.000 0.995 371 D CA 1.732 55.739 54.000 0.013 0.000 0.846 371 D CB -0.516 40.292 40.800 0.014 0.000 0.941 371 D HN 0.736 nan 8.370 nan 0.000 0.456 372 A N 1.262 124.086 122.820 0.006 0.000 1.877 372 A HA -0.206 4.114 4.320 0.001 0.000 0.216 372 A C 2.080 179.676 177.584 0.020 0.000 1.186 372 A CA 1.396 53.440 52.037 0.011 0.000 0.620 372 A CB -0.473 18.527 19.000 -0.000 0.000 0.822 372 A HN 0.202 nan 8.150 nan 0.000 0.443 373 E N -0.366 119.837 120.200 0.005 0.000 2.150 373 E HA -0.119 4.231 4.350 0.001 0.000 0.193 373 E C 1.803 178.462 176.600 0.098 0.000 0.985 373 E CA 0.859 57.280 56.400 0.036 0.000 0.814 373 E CB -0.171 29.504 29.700 -0.041 0.000 0.752 373 E HN 0.512 nan 8.360 nan 0.000 0.466 374 I N 1.819 122.435 120.570 0.076 0.000 2.315 374 I HA -0.213 3.957 4.170 0.001 0.000 0.248 374 I C 1.670 177.857 176.117 0.117 0.000 1.117 374 I CA 1.344 62.719 61.300 0.125 0.000 1.404 374 I CB -0.879 37.201 38.000 0.133 0.000 1.071 374 I HN 0.057 nan 8.210 nan 0.000 0.419 375 D N 0.507 120.959 120.400 0.087 0.000 2.117 375 D HA -0.114 4.527 4.640 0.001 0.000 0.198 375 D C 2.178 178.519 176.300 0.068 0.000 0.982 375 D CA 1.417 55.465 54.000 0.080 0.000 0.828 375 D CB -0.150 40.686 40.800 0.059 0.000 0.967 375 D HN 0.251 nan 8.370 nan 0.000 0.464 376 T N 1.157 115.743 114.554 0.055 0.000 2.788 376 T HA -0.130 4.220 4.350 0.001 0.000 0.268 376 T C 1.965 176.684 174.700 0.032 0.000 1.044 376 T CA 0.478 62.600 62.100 0.036 0.000 1.139 376 T CB -0.273 68.611 68.868 0.027 0.000 0.867 376 T HN 0.045 nan 8.240 nan 0.000 0.454 377 L N 0.828 122.075 121.223 0.039 0.000 2.046 377 L HA 0.103 4.444 4.340 0.001 0.000 0.208 377 L C 2.153 179.086 176.870 0.104 0.000 1.077 377 L CA 1.709 56.559 54.840 0.018 0.000 0.747 377 L CB -0.510 41.492 42.059 -0.095 0.000 0.896 377 L HN 0.227 nan 8.230 nan 0.000 0.432 378 M N -1.576 118.091 119.600 0.111 0.000 2.686 378 M HA -0.061 4.419 4.480 0.001 0.000 0.246 378 M C 1.205 177.585 176.300 0.132 0.000 1.096 378 M CA 0.820 56.223 55.300 0.171 0.000 1.076 378 M CB -0.369 32.353 32.600 0.205 0.000 1.504 378 M HN 0.281 nan 8.290 nan 0.000 0.524 379 T N -0.338 114.266 114.554 0.084 0.000 3.038 379 T HA 0.191 4.541 4.350 0.001 0.000 0.244 379 T C 1.904 176.606 174.700 0.004 0.000 1.016 379 T CA 0.782 62.910 62.100 0.047 0.000 1.098 379 T CB 0.177 69.064 68.868 0.031 0.000 0.954 379 T HN 0.415 nan 8.240 nan 0.000 0.469 380 A N 0.609 123.408 122.820 -0.034 0.000 1.968 380 A HA 0.094 4.414 4.320 0.001 0.000 0.217 380 A C 0.265 177.628 177.584 -0.368 0.000 1.169 380 A CA 0.933 52.848 52.037 -0.203 0.000 0.638 380 A CB -0.447 18.397 19.000 -0.259 0.000 0.812 380 A HN 0.572 nan 8.150 nan 0.000 0.446 381 Y N 0.699 121.012 120.300 0.020 0.000 2.805 381 Y HA 0.339 4.890 4.550 0.001 0.000 0.339 381 Y C -2.403 173.551 175.900 0.089 0.000 1.012 381 Y CA -2.950 55.187 58.100 0.063 0.000 1.262 381 Y CB 0.905 39.393 38.460 0.047 0.000 1.100 381 Y HN 0.198 nan 8.280 nan 0.000 0.559 382 P HA 0.093 nan 4.420 nan 0.000 0.276 382 P C 0.869 178.261 177.300 0.153 0.000 1.261 382 P CA -0.012 63.172 63.100 0.139 0.000 0.800 382 P CB 1.483 33.236 31.700 0.089 0.000 1.066 383 G N -0.057 108.819 108.800 0.128 0.000 2.471 383 G HA2 -0.164 3.796 3.960 0.001 0.000 0.219 383 G HA3 -0.164 3.796 3.960 0.001 0.000 0.219 383 G C 0.536 175.496 174.900 0.099 0.000 1.125 383 G CA 0.213 45.382 45.100 0.115 0.000 0.775 383 G HN 0.553 nan 8.290 nan 0.000 0.548 384 D N 1.206 121.661 120.400 0.091 0.000 2.536 384 D HA -0.091 4.549 4.640 0.001 0.000 0.260 384 D C 2.062 178.415 176.300 0.087 0.000 1.270 384 D CA -0.133 53.915 54.000 0.080 0.000 0.934 384 D CB -0.113 40.732 40.800 0.075 0.000 1.129 384 D HN 0.427 nan 8.370 nan 0.000 0.533 385 I N 1.457 122.074 120.570 0.078 0.000 2.700 385 I HA -0.213 3.957 4.170 0.001 0.000 0.261 385 I C 1.613 177.775 176.117 0.076 0.000 1.219 385 I CA 1.413 62.759 61.300 0.077 0.000 1.463 385 I CB -0.691 37.353 38.000 0.073 0.000 1.092 385 I HN 0.356 nan 8.210 nan 0.000 0.452 386 T N -2.181 112.419 114.554 0.077 0.000 3.055 386 T HA -0.058 4.292 4.350 0.001 0.000 0.265 386 T C 1.721 176.487 174.700 0.109 0.000 1.111 386 T CA 0.959 63.107 62.100 0.081 0.000 1.118 386 T CB -0.144 68.765 68.868 0.070 0.000 0.909 386 T HN 0.402 nan 8.240 nan 0.000 0.501 387 Q N 0.905 120.779 119.800 0.123 0.000 2.424 387 Q HA 0.400 4.740 4.340 0.001 0.000 0.204 387 Q C 1.247 177.404 176.000 0.261 0.000 0.933 387 Q CA 0.309 56.215 55.803 0.173 0.000 0.929 387 Q CB 0.057 28.879 28.738 0.139 0.000 1.037 387 Q HN 0.723 nan 8.270 nan 0.000 0.511 388 G N -0.996 107.897 108.800 0.155 0.000 2.543 388 G HA2 0.352 4.313 3.960 0.001 0.000 0.290 388 G HA3 0.352 4.313 3.960 0.001 0.000 0.290 388 G C -0.917 173.797 174.900 -0.311 0.000 1.310 388 G CA -0.517 44.606 45.100 0.037 0.000 1.025 388 G HN 0.099 nan 8.290 nan 0.000 0.502 389 S N 0.028 115.301 115.700 -0.711 0.000 2.508 389 S HA 0.521 4.992 4.470 0.001 0.000 0.284 389 S C -2.484 171.810 174.600 -0.510 0.000 1.192 389 S CA -1.334 56.259 58.200 -1.013 0.000 1.070 389 S CB 1.195 63.732 63.200 -1.106 0.000 1.004 389 S HN 0.208 nan 8.310 nan 0.000 0.493 390 P HA 0.041 nan 4.420 nan 0.000 0.257 390 P C -0.780 176.416 177.300 -0.174 0.000 1.189 390 P CA 0.169 63.149 63.100 -0.199 0.000 0.780 390 P CB -0.198 31.490 31.700 -0.020 0.000 0.772 391 F N 2.867 122.837 119.950 0.034 0.000 2.572 391 F HA -0.003 4.524 4.527 0.000 0.000 0.370 391 F C 1.410 177.225 175.800 0.025 0.000 1.103 391 F CA 0.898 58.913 58.000 0.024 0.000 1.286 391 F CB -0.270 38.729 39.000 -0.003 0.000 1.105 391 F HN 0.426 nan 8.300 nan 0.000 0.583 392 D N 0.094 120.637 120.400 0.239 0.000 2.835 392 D HA -0.168 4.472 4.640 0.001 0.000 0.230 392 D C 0.891 177.250 176.300 0.098 0.000 1.130 392 D CA 1.293 55.377 54.000 0.139 0.000 0.738 392 D CB -1.567 39.301 40.800 0.113 0.000 1.090 392 D HN 0.734 nan 8.370 nan 0.000 0.433 393 T N -3.604 111.003 114.554 0.087 0.000 3.085 393 T HA 0.493 4.843 4.350 0.001 0.000 0.264 393 T C 1.338 176.073 174.700 0.058 0.000 1.019 393 T CA 0.741 62.880 62.100 0.065 0.000 0.910 393 T CB 1.092 69.995 68.868 0.058 0.000 1.059 393 T HN 0.717 nan 8.240 nan 0.000 0.542 394 G N 3.452 112.290 108.800 0.064 0.000 2.561 394 G HA2 -0.344 3.617 3.960 0.001 0.000 0.289 394 G HA3 -0.344 3.617 3.960 0.001 0.000 0.289 394 G C 0.663 175.596 174.900 0.055 0.000 1.169 394 G CA 0.343 45.477 45.100 0.056 0.000 0.980 394 G HN 1.144 nan 8.290 nan 0.000 0.550 395 I N 0.090 120.688 120.570 0.047 0.000 3.810 395 I HA 0.529 4.699 4.170 0.001 0.000 0.322 395 I C 0.932 177.076 176.117 0.046 0.000 1.288 395 I CA -0.392 60.936 61.300 0.046 0.000 1.143 395 I CB -0.339 37.684 38.000 0.038 0.000 1.012 395 I HN 0.284 nan 8.210 nan 0.000 0.423 396 L N 1.536 122.787 121.223 0.047 0.000 2.468 396 L HA 0.358 4.698 4.340 0.001 0.000 0.254 396 L C 0.586 177.494 176.870 0.065 0.000 1.171 396 L CA -0.649 54.218 54.840 0.045 0.000 0.809 396 L CB 0.103 42.186 42.059 0.040 0.000 1.155 396 L HN 0.303 nan 8.230 nan 0.000 0.473 397 N N -0.304 118.434 118.700 0.062 0.000 2.747 397 N HA -0.177 4.564 4.740 0.001 0.000 0.249 397 N C -0.053 175.546 175.510 0.148 0.000 1.107 397 N CA 0.993 54.104 53.050 0.102 0.000 0.707 397 N CB -1.135 37.452 38.487 0.167 0.000 1.054 397 N HN 0.734 nan 8.380 nan 0.000 0.555 398 A N 0.654 123.523 122.820 0.082 0.000 3.118 398 A HA 0.361 4.681 4.320 0.001 0.000 0.256 398 A C 1.682 179.282 177.584 0.026 0.000 1.667 398 A CA -0.472 51.617 52.037 0.087 0.000 1.338 398 A CB -0.405 18.630 19.000 0.059 0.000 1.127 398 A HN 0.344 nan 8.150 nan 0.000 0.634 399 L N 0.330 121.532 121.223 -0.034 0.000 2.042 399 L HA -0.057 4.283 4.340 0.001 0.000 0.210 399 L C 1.539 178.365 176.870 -0.073 0.000 1.076 399 L CA 1.688 56.428 54.840 -0.167 0.000 0.749 399 L CB -1.028 40.737 42.059 -0.489 0.000 0.893 399 L HN 0.759 nan 8.230 nan 0.000 0.432 400 T N -6.218 108.346 114.554 0.017 0.000 2.816 400 T HA 0.371 4.722 4.350 0.001 0.000 0.299 400 T C -2.456 172.294 174.700 0.085 0.000 1.230 400 T CA -1.360 60.764 62.100 0.039 0.000 1.007 400 T CB 1.867 70.758 68.868 0.039 0.000 1.289 400 T HN -0.334 nan 8.240 nan 0.000 0.508 401 P HA 0.081 nan 4.420 nan 0.000 0.226 401 P C 1.085 178.437 177.300 0.086 0.000 1.153 401 P CA 0.678 63.820 63.100 0.070 0.000 0.777 401 P CB 0.183 31.913 31.700 0.050 0.000 0.794 402 Q N -2.880 116.974 119.800 0.090 0.000 2.317 402 Q HA 0.130 4.470 4.340 0.001 0.000 0.220 402 Q C 1.556 177.620 176.000 0.108 0.000 0.873 402 Q CA -0.046 55.808 55.803 0.085 0.000 0.936 402 Q CB -0.591 28.167 28.738 0.034 0.000 1.105 402 Q HN 0.262 nan 8.270 nan 0.000 0.520 403 F N 3.152 123.100 119.950 -0.004 0.000 2.043 403 F HA -0.260 4.267 4.527 0.000 0.000 0.297 403 F C 1.809 177.615 175.800 0.010 0.000 1.121 403 F CA 1.890 59.885 58.000 -0.009 0.000 1.199 403 F CB 0.013 38.998 39.000 -0.024 0.000 0.968 403 F HN -0.097 nan 8.300 nan 0.000 0.478 404 K N -0.164 120.100 120.400 -0.227 0.000 2.147 404 K HA -0.203 4.117 4.320 0.001 0.000 0.205 404 K C 2.346 178.837 176.600 -0.181 0.000 1.049 404 K CA 1.406 57.483 56.287 -0.350 0.000 0.936 404 K CB -0.308 32.123 32.500 -0.115 0.000 0.722 404 K HN 0.336 nan 8.250 nan 0.000 0.446 405 R N 1.375 121.864 120.500 -0.018 0.000 2.061 405 R HA -0.065 4.275 4.340 0.001 0.000 0.230 405 R C 2.245 178.622 176.300 0.130 0.000 1.140 405 R CA 1.263 57.431 56.100 0.113 0.000 0.940 405 R CB -0.239 30.167 30.300 0.176 0.000 0.839 405 R HN 0.094 nan 8.270 nan 0.000 0.429 406 I N 0.781 121.427 120.570 0.125 0.000 2.208 406 I HA -0.287 3.883 4.170 0.001 0.000 0.245 406 I C 2.277 178.456 176.117 0.103 0.000 1.097 406 I CA 1.362 62.787 61.300 0.208 0.000 1.363 406 I CB -0.157 37.901 38.000 0.097 0.000 1.051 406 I HN 0.233 nan 8.210 nan 0.000 0.413 407 S N 0.652 116.296 115.700 -0.093 0.000 2.356 407 S HA -0.157 4.313 4.470 0.001 0.000 0.223 407 S C 2.283 176.849 174.600 -0.055 0.000 1.032 407 S CA 1.265 59.387 58.200 -0.130 0.000 1.005 407 S CB -0.390 62.537 63.200 -0.456 0.000 0.867 407 S HN 0.552 nan 8.310 nan 0.000 0.449 408 A N 1.321 124.097 122.820 -0.073 0.000 1.883 408 A HA -0.090 4.230 4.320 0.001 0.000 0.217 408 A C 2.351 179.927 177.584 -0.013 0.000 1.186 408 A CA 1.787 53.893 52.037 0.114 0.000 0.624 408 A CB -1.019 18.193 19.000 0.353 0.000 0.822 408 A HN 0.339 nan 8.150 nan 0.000 0.444 409 V N -0.368 119.353 119.914 -0.322 0.000 2.223 409 V HA -0.229 3.891 4.120 0.001 0.000 0.244 409 V C 2.482 178.432 176.094 -0.240 0.000 1.045 409 V CA 1.917 63.824 62.300 -0.654 0.000 1.000 409 V CB -0.920 30.555 31.823 -0.581 0.000 0.635 409 V HN 0.471 nan 8.190 nan 0.000 0.445 410 L N 1.192 122.414 121.223 -0.002 0.000 2.013 410 L HA -0.155 4.185 4.340 0.001 0.000 0.212 410 L C 2.543 179.474 176.870 0.102 0.000 1.073 410 L CA 2.476 57.365 54.840 0.082 0.000 0.753 410 L CB -1.682 40.488 42.059 0.186 0.000 0.890 410 L HN 0.409 nan 8.230 nan 0.000 0.432 411 G N -1.770 107.152 108.800 0.202 0.000 2.443 411 G HA2 -0.232 3.728 3.960 0.001 0.000 0.219 411 G HA3 -0.232 3.728 3.960 0.001 0.000 0.219 411 G C 1.290 176.397 174.900 0.344 0.000 1.131 411 G CA 0.741 46.050 45.100 0.349 0.000 0.775 411 G HN 0.332 nan 8.290 nan 0.000 0.547 412 D N -0.149 120.389 120.400 0.231 0.000 2.120 412 D HA -0.036 4.604 4.640 0.001 0.000 0.202 412 D C 2.394 178.812 176.300 0.196 0.000 0.972 412 D CA 0.383 54.539 54.000 0.260 0.000 0.837 412 D CB -0.259 40.702 40.800 0.269 0.000 0.989 412 D HN 0.238 nan 8.370 nan 0.000 0.469 413 L N 0.570 121.794 121.223 0.001 0.000 2.027 413 L HA 0.060 4.400 4.340 0.001 0.000 0.206 413 L C 2.086 178.950 176.870 -0.010 0.000 1.074 413 L CA 2.243 57.054 54.840 -0.048 0.000 0.745 413 L CB -0.924 40.966 42.059 -0.282 0.000 0.898 413 L HN 0.060 nan 8.230 nan 0.000 0.433 414 G N -1.958 106.723 108.800 -0.197 0.000 2.422 414 G HA2 -0.133 3.827 3.960 0.001 0.000 0.218 414 G HA3 -0.133 3.827 3.960 0.001 0.000 0.218 414 G C 0.844 175.155 174.900 -0.982 0.000 1.140 414 G CA 1.242 45.934 45.100 -0.679 0.000 0.775 414 G HN 0.490 nan 8.290 nan 0.000 0.545 415 F N -1.141 118.861 119.950 0.087 0.000 1.881 415 F HA 0.193 4.720 4.527 0.000 0.000 0.233 415 F C 2.644 178.534 175.800 0.150 0.000 1.186 415 F CA 0.547 58.608 58.000 0.102 0.000 1.298 415 F CB -0.575 38.483 39.000 0.097 0.000 1.756 415 F HN -0.140 nan 8.300 nan 0.000 0.431 416 T N 2.422 117.229 114.554 0.423 0.000 2.624 416 T HA -0.174 4.176 4.350 0.001 0.000 0.268 416 T C 1.954 176.868 174.700 0.357 0.000 1.041 416 T CA 1.929 64.248 62.100 0.365 0.000 1.159 416 T CB -0.565 68.542 68.868 0.398 0.000 0.863 416 T HN 0.113 nan 8.240 nan 0.000 0.434 417 L N 0.169 121.641 121.223 0.416 0.000 2.375 417 L HA 0.240 4.581 4.340 0.001 0.000 0.215 417 L C 2.983 180.089 176.870 0.393 0.000 1.108 417 L CA 0.414 55.566 54.840 0.520 0.000 0.830 417 L CB -0.601 41.879 42.059 0.701 0.000 0.959 417 L HN 0.232 nan 8.230 nan 0.000 0.457 418 A N 0.821 123.808 122.820 0.278 0.000 1.883 418 A HA -0.258 4.062 4.320 0.001 0.000 0.217 418 A C 2.434 180.037 177.584 0.032 0.000 1.186 418 A CA 1.860 53.898 52.037 0.002 0.000 0.624 418 A CB -0.567 18.482 19.000 0.081 0.000 0.822 418 A HN 0.355 nan 8.150 nan 0.000 0.444 419 R N -0.425 120.142 120.500 0.113 0.000 2.094 419 R HA -0.213 4.128 4.340 0.001 0.000 0.239 419 R C 2.448 178.831 176.300 0.137 0.000 1.137 419 R CA 1.973 58.138 56.100 0.107 0.000 0.943 419 R CB -0.411 29.940 30.300 0.085 0.000 0.850 419 R HN 0.539 nan 8.270 nan 0.000 0.433 420 R N -0.713 119.880 120.500 0.156 0.000 2.103 420 R HA -0.244 4.096 4.340 0.001 0.000 0.242 420 R C 2.228 178.676 176.300 0.247 0.000 1.142 420 R CA 2.082 58.267 56.100 0.141 0.000 0.960 420 R CB -0.557 29.818 30.300 0.125 0.000 0.858 420 R HN 0.402 nan 8.270 nan 0.000 0.439 421 Y N 0.172 120.603 120.300 0.218 0.000 2.181 421 Y HA -0.272 4.278 4.550 0.000 0.000 0.288 421 Y C 1.889 177.918 175.900 0.215 0.000 1.146 421 Y CA 1.965 60.192 58.100 0.212 0.000 1.164 421 Y CB -0.468 37.867 38.460 -0.208 0.000 0.982 421 Y HN 0.159 nan 8.280 nan 0.000 0.515 422 F N 0.114 120.161 119.950 0.161 0.000 2.075 422 F HA -0.225 4.302 4.527 0.000 0.000 0.297 422 F C 1.898 177.715 175.800 0.030 0.000 1.113 422 F CA 1.760 59.789 58.000 0.049 0.000 1.218 422 F CB -0.827 38.108 39.000 -0.109 0.000 0.984 422 F HN 0.016 nan 8.300 nan 0.000 0.472 423 L N 0.353 121.468 121.223 -0.179 0.000 2.079 423 L HA -0.283 4.057 4.340 0.001 0.000 0.210 423 L C 2.028 178.794 176.870 -0.173 0.000 1.081 423 L CA 2.038 56.690 54.840 -0.313 0.000 0.752 423 L CB -0.935 40.853 42.059 -0.452 0.000 0.896 423 L HN 0.262 nan 8.230 nan 0.000 0.433 424 N N -1.591 117.038 118.700 -0.119 0.000 2.396 424 N HA -0.137 4.604 4.740 0.001 0.000 0.180 424 N C 1.383 176.634 175.510 -0.433 0.000 1.028 424 N CA 0.568 53.482 53.050 -0.226 0.000 0.893 424 N CB 0.076 38.397 38.487 -0.276 0.000 0.967 424 N HN 0.428 nan 8.380 nan 0.000 0.440 425 H N -2.008 116.931 119.070 -0.219 0.000 2.639 425 H HA 0.109 4.666 4.556 0.001 0.000 0.267 425 H C -0.528 174.726 175.328 -0.124 0.000 0.958 425 H CA -0.195 55.757 56.048 -0.160 0.000 1.221 425 H CB 0.258 29.928 29.762 -0.153 0.000 1.446 425 H HN 0.144 nan 8.280 nan 0.000 0.512 426 Y N 2.464 122.523 120.300 -0.402 0.000 2.436 426 Y HA 0.128 4.678 4.550 0.000 0.000 0.336 426 Y C 0.726 176.431 175.900 -0.324 0.000 1.049 426 Y CA -0.081 57.664 58.100 -0.592 0.000 1.294 426 Y CB 0.741 38.371 38.460 -1.382 0.000 1.179 426 Y HN 0.105 nan 8.280 nan 0.000 0.520 427 T N 0.219 114.384 114.554 -0.647 0.000 3.145 427 T HA 0.199 4.550 4.350 0.001 0.000 0.281 427 T C 1.591 175.989 174.700 -0.502 0.000 1.003 427 T CA 0.178 62.033 62.100 -0.407 0.000 0.901 427 T CB 0.176 68.959 68.868 -0.142 0.000 1.112 427 T HN 0.727 nan 8.240 nan 0.000 0.535 428 G N 1.177 109.251 108.800 -1.210 0.000 2.432 428 G HA2 0.433 4.394 3.960 0.001 0.000 0.219 428 G HA3 0.433 4.394 3.960 0.001 0.000 0.219 428 G C 0.721 175.539 174.900 -0.138 0.000 1.135 428 G CA 0.476 45.235 45.100 -0.568 0.000 0.767 428 G HN 0.940 nan 8.290 nan 0.000 0.550 429 G N -2.048 106.729 108.800 -0.039 0.000 2.561 429 G HA2 0.433 4.393 3.960 0.001 0.000 0.310 429 G HA3 0.433 4.393 3.960 0.001 0.000 0.310 429 G C -1.024 173.952 174.900 0.127 0.000 1.292 429 G CA -0.215 44.953 45.100 0.113 0.000 0.811 429 G HN 0.090 nan 8.290 nan 0.000 0.482 430 T N 1.188 115.815 114.554 0.122 0.000 2.916 430 T HA 0.407 4.757 4.350 0.001 0.000 0.303 430 T C 0.051 174.768 174.700 0.028 0.000 1.025 430 T CA 0.468 62.587 62.100 0.033 0.000 1.142 430 T CB 0.592 69.495 68.868 0.059 0.000 0.947 430 T HN 0.409 nan 8.240 nan 0.000 0.544 431 K N 1.888 122.212 120.400 -0.127 0.000 2.207 431 K HA 0.597 4.918 4.320 0.001 0.000 0.255 431 K C -1.325 175.064 176.600 -0.351 0.000 0.941 431 K CA -0.564 55.669 56.287 -0.090 0.000 0.825 431 K CB 1.445 33.947 32.500 0.004 0.000 1.119 431 K HN 0.515 nan 8.250 nan 0.000 0.430 432 Y N -0.348 119.936 120.300 -0.025 0.000 2.477 432 Y HA 0.523 5.073 4.550 0.000 0.000 0.347 432 Y C -0.182 175.842 175.900 0.207 0.000 0.981 432 Y CA -0.700 57.371 58.100 -0.047 0.000 1.033 432 Y CB 2.689 40.735 38.460 -0.691 0.000 1.245 432 Y HN 0.490 nan 8.280 nan 0.000 0.455 433 S N 3.265 119.399 115.700 0.724 0.000 2.549 433 S HA 0.836 5.306 4.470 0.001 0.000 0.280 433 S C -1.555 173.462 174.600 0.695 0.000 1.109 433 S CA -0.584 57.941 58.200 0.542 0.000 0.905 433 S CB 0.627 63.910 63.200 0.137 0.000 1.081 433 S HN 0.510 nan 8.310 nan 0.000 0.477 434 F N 2.147 122.317 119.950 0.366 0.000 2.629 434 F HA 0.918 5.445 4.527 0.000 0.000 0.316 434 F C -1.706 174.160 175.800 0.109 0.000 1.081 434 F CA -1.266 56.788 58.000 0.089 0.000 0.954 434 F CB 1.169 40.136 39.000 -0.056 0.000 1.337 434 F HN 0.473 nan 8.300 nan 0.000 0.474 435 L N 1.977 123.283 121.223 0.137 0.000 2.439 435 L HA 0.603 4.944 4.340 0.001 0.000 0.270 435 L C -0.849 176.105 176.870 0.140 0.000 0.972 435 L CA -0.190 54.697 54.840 0.079 0.000 0.836 435 L CB 2.007 44.100 42.059 0.056 0.000 1.255 435 L HN 0.893 nan 8.230 nan 0.000 0.404 436 S N 3.358 119.187 115.700 0.216 0.000 2.508 436 S HA 0.551 5.022 4.470 0.001 0.000 0.284 436 S C 0.122 174.792 174.600 0.116 0.000 1.192 436 S CA -0.428 57.883 58.200 0.186 0.000 1.070 436 S CB 0.635 64.023 63.200 0.312 0.000 1.004 436 S HN 0.710 nan 8.310 nan 0.000 0.493 437 K N 3.295 123.747 120.400 0.088 0.000 2.734 437 K HA 0.132 4.452 4.320 0.001 0.000 0.200 437 K C 1.184 177.829 176.600 0.075 0.000 1.120 437 K CA -0.191 56.151 56.287 0.092 0.000 1.067 437 K CB 0.422 32.990 32.500 0.112 0.000 0.771 437 K HN 0.659 nan 8.250 nan 0.000 0.481 438 Q N 0.658 120.487 119.800 0.048 0.000 2.135 438 Q HA -0.101 4.239 4.340 0.001 0.000 0.204 438 Q C 0.667 176.674 176.000 0.012 0.000 0.981 438 Q CA 1.303 57.098 55.803 -0.012 0.000 0.856 438 Q CB 0.254 28.938 28.738 -0.089 0.000 0.902 438 Q HN 0.151 nan 8.270 nan 0.000 0.425 439 L N 1.038 122.297 121.223 0.060 0.000 2.791 439 L HA 0.242 4.582 4.340 0.001 0.000 0.239 439 L C -0.086 176.846 176.870 0.103 0.000 1.203 439 L CA 0.241 55.140 54.840 0.098 0.000 1.002 439 L CB 0.312 42.453 42.059 0.136 0.000 1.295 439 L HN -0.091 nan 8.230 nan 0.000 0.504 440 S N 0.513 116.263 115.700 0.083 0.000 2.563 440 S HA 0.346 4.816 4.470 0.001 0.000 0.294 440 S C 1.410 176.054 174.600 0.074 0.000 1.279 440 S CA 0.831 59.080 58.200 0.082 0.000 1.069 440 S CB 0.354 63.596 63.200 0.070 0.000 0.828 440 S HN 0.708 nan 8.310 nan 0.000 0.497 441 G N 1.811 110.656 108.800 0.076 0.000 2.232 441 G HA2 -0.222 3.739 3.960 0.001 0.000 0.226 441 G HA3 -0.222 3.739 3.960 0.001 0.000 0.226 441 G C -0.041 174.902 174.900 0.071 0.000 0.996 441 G CA -0.228 44.911 45.100 0.064 0.000 0.626 441 G HN 0.655 nan 8.290 nan 0.000 0.509 442 L N 3.402 124.683 121.223 0.097 0.000 2.500 442 L HA 0.494 4.834 4.340 0.001 0.000 0.272 442 L C -1.551 175.366 176.870 0.078 0.000 1.149 442 L CA -1.199 53.705 54.840 0.106 0.000 0.897 442 L CB 0.229 42.395 42.059 0.179 0.000 1.178 442 L HN -0.012 nan 8.230 nan 0.000 0.473 443 P HA 0.078 nan 4.420 nan 0.000 0.267 443 P C 0.772 178.075 177.300 0.006 0.000 1.200 443 P CA 0.058 63.172 63.100 0.024 0.000 0.772 443 P CB 0.699 32.401 31.700 0.003 0.000 0.855 444 V N 0.525 120.450 119.914 0.018 0.000 0.465 444 V HA -0.349 3.771 4.120 0.001 0.000 0.092 444 V C 1.708 177.848 176.094 0.076 0.000 2.474 444 V CA 2.412 64.728 62.300 0.026 0.000 3.680 444 V CB -1.952 29.811 31.823 -0.099 0.000 0.959 444 V HN 0.547 nan 8.190 nan 0.000 1.006 445 L N -0.353 120.866 121.223 -0.007 0.000 2.408 445 L HA 0.567 4.908 4.340 0.001 0.000 0.215 445 L C 1.591 178.547 176.870 0.143 0.000 1.081 445 L CA 0.856 55.688 54.840 -0.013 0.000 0.840 445 L CB -0.026 41.868 42.059 -0.274 0.000 1.002 445 L HN 0.898 nan 8.230 nan 0.000 0.468 446 G N 0.570 109.469 108.800 0.165 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 0.116 175.166 174.900 0.251 0.000 1.263 446 G CA -0.038 45.166 45.100 0.174 0.000 0.928 446 G HN 0.097 nan 8.290 nan 0.000 0.572 447 T N 2.455 117.109 114.554 0.167 0.000 3.842 447 T HA 0.449 4.800 4.350 0.001 0.000 0.267 447 T C 0.562 175.312 174.700 0.082 0.000 1.173 447 T CA 0.811 62.967 62.100 0.092 0.000 1.142 447 T CB -1.180 67.746 68.868 0.097 0.000 1.191 447 T HN 0.762 nan 8.240 nan 0.000 0.895 448 F N 0.391 120.437 119.950 0.160 0.000 2.440 448 F HA 0.444 4.971 4.527 0.000 0.000 0.323 448 F C 0.731 176.704 175.800 0.289 0.000 1.192 448 F CA -1.530 56.592 58.000 0.204 0.000 1.252 448 F CB 0.164 39.255 39.000 0.151 0.000 1.214 448 F HN 0.281 nan 8.300 nan 0.000 0.578 449 H N 1.443 120.774 119.070 0.435 0.000 3.004 449 H HA 0.214 4.770 4.556 0.000 0.000 0.316 449 H C 0.856 176.311 175.328 0.210 0.000 1.014 449 H CA 0.798 56.973 56.048 0.212 0.000 1.454 449 H CB 0.412 30.270 29.762 0.160 0.000 1.472 449 H HN 0.987 nan 8.280 nan 0.000 0.571 450 S N 1.982 117.552 115.700 -0.218 0.000 2.488 450 S HA -0.329 4.141 4.470 0.001 0.000 0.258 450 S C 1.469 176.013 174.600 -0.092 0.000 1.281 450 S CA 1.242 59.330 58.200 -0.188 0.000 1.334 450 S CB -2.599 60.483 63.200 -0.198 0.000 1.647 450 S HN 0.926 nan 8.310 nan 0.000 0.635 451 N N 3.096 121.640 118.700 -0.259 0.000 2.430 451 N HA -0.121 4.619 4.740 0.001 0.000 0.186 451 N C 1.163 176.606 175.510 -0.112 0.000 1.032 451 N CA 1.564 54.419 53.050 -0.324 0.000 0.893 451 N CB -0.697 37.340 38.487 -0.750 0.000 0.957 451 N HN 0.797 nan 8.380 nan 0.000 0.442 452 D N 0.730 121.044 120.400 -0.143 0.000 2.219 452 D HA -0.149 4.491 4.640 0.001 0.000 0.205 452 D C 1.731 177.889 176.300 -0.237 0.000 0.970 452 D CA 0.510 54.290 54.000 -0.367 0.000 0.851 452 D CB -0.205 40.108 40.800 -0.812 0.000 0.943 452 D HN 0.285 nan 8.370 nan 0.000 0.488 453 I N 1.213 121.739 120.570 -0.073 0.000 2.226 453 I HA -0.200 3.971 4.170 0.001 0.000 0.245 453 I C 2.665 178.836 176.117 0.090 0.000 1.100 453 I CA 0.484 61.826 61.300 0.069 0.000 1.374 453 I CB -0.909 37.207 38.000 0.193 0.000 1.057 453 I HN -0.030 nan 8.210 nan 0.000 0.413 454 V N 0.690 120.576 119.914 -0.045 0.000 2.255 454 V HA -0.274 3.846 4.120 0.001 0.000 0.247 454 V C 2.192 178.161 176.094 -0.209 0.000 1.051 454 V CA 1.878 64.073 62.300 -0.174 0.000 1.018 454 V CB -0.809 30.679 31.823 -0.557 0.000 0.641 454 V HN 0.182 nan 8.190 nan 0.000 0.445 455 F N -0.331 119.702 119.950 0.138 0.000 2.802 455 F HA 0.054 4.581 4.527 0.001 0.000 0.300 455 F C 2.231 178.152 175.800 0.201 0.000 1.168 455 F CA 0.922 59.033 58.000 0.185 0.000 1.433 455 F CB -0.378 38.782 39.000 0.268 0.000 1.115 455 F HN 0.202 nan 8.300 nan 0.000 0.582 456 Q N -0.538 119.394 119.800 0.221 0.000 2.402 456 Q HA -0.003 4.337 4.340 0.001 0.000 0.231 456 Q C 0.650 176.672 176.000 0.036 0.000 0.888 456 Q CA 0.776 56.680 55.803 0.169 0.000 0.938 456 Q CB 0.488 29.304 28.738 0.130 0.000 1.086 456 Q HN 0.178 nan 8.270 nan 0.000 0.543 457 D N -1.473 118.900 120.400 -0.045 0.000 2.480 457 D HA 0.072 4.713 4.640 0.001 0.000 0.243 457 D C 0.378 176.370 176.300 -0.513 0.000 1.120 457 D CA 0.272 54.097 54.000 -0.293 0.000 0.835 457 D CB 0.408 40.943 40.800 -0.442 0.000 1.204 457 D HN 0.199 nan 8.370 nan 0.000 0.513 458 Y N 0.207 120.464 120.300 -0.071 0.000 2.569 458 Y HA 0.385 4.935 4.550 0.000 0.000 0.278 458 Y C 0.969 176.840 175.900 -0.047 0.000 1.130 458 Y CA 0.056 58.108 58.100 -0.081 0.000 1.280 458 Y CB 0.902 39.286 38.460 -0.127 0.000 1.379 458 Y HN -0.276 nan 8.280 nan 0.000 0.508 459 L N 0.611 121.907 121.223 0.121 0.000 2.301 459 L HA 0.407 4.747 4.340 0.001 0.000 0.264 459 L C -1.125 175.889 176.870 0.240 0.000 1.016 459 L CA -1.084 53.836 54.840 0.133 0.000 0.821 459 L CB 1.853 43.971 42.059 0.099 0.000 1.346 459 L HN -0.086 nan 8.230 nan 0.000 0.429 460 L N 0.704 122.062 121.223 0.225 0.000 2.343 460 L HA 0.824 5.164 4.340 0.001 0.000 0.275 460 L C 0.387 177.394 176.870 0.229 0.000 1.056 460 L CA 0.085 55.048 54.840 0.205 0.000 0.804 460 L CB 1.091 43.208 42.059 0.097 0.000 1.203 460 L HN 0.798 nan 8.230 nan 0.000 0.440 461 G N 0.050 108.908 108.800 0.097 0.000 2.548 461 G HA2 0.329 4.289 3.960 0.001 0.000 0.301 461 G HA3 0.329 4.289 3.960 0.001 0.000 0.301 461 G C 0.421 175.198 174.900 -0.205 0.000 1.349 461 G CA 0.335 45.361 45.100 -0.124 0.000 0.792 461 G HN 0.527 nan 8.290 nan 0.000 0.481 462 S N -1.037 114.500 115.700 -0.271 0.000 2.383 462 S HA -0.034 4.436 4.470 0.001 0.000 0.229 462 S C 2.413 176.814 174.600 -0.332 0.000 1.030 462 S CA 2.217 60.271 58.200 -0.243 0.000 1.002 462 S CB -0.663 62.412 63.200 -0.208 0.000 0.829 462 S HN 1.538 nan 8.310 nan 0.000 0.467 463 G N 1.307 109.844 108.800 -0.438 0.000 2.432 463 G HA2 -0.109 3.851 3.960 0.001 0.000 0.219 463 G HA3 -0.109 3.851 3.960 0.001 0.000 0.219 463 G C 1.506 176.017 174.900 -0.648 0.000 1.135 463 G CA 0.882 45.624 45.100 -0.597 0.000 0.767 463 G HN 0.610 nan 8.290 nan 0.000 0.550 464 S N 0.532 116.101 115.700 -0.219 0.000 2.442 464 S HA -0.061 4.409 4.470 0.001 0.000 0.236 464 S C 2.099 176.568 174.600 -0.218 0.000 1.007 464 S CA 0.506 58.657 58.200 -0.080 0.000 0.965 464 S CB -0.124 63.106 63.200 0.050 0.000 0.773 464 S HN 0.176 nan 8.310 nan 0.000 0.504 465 L N 1.057 122.108 121.223 -0.288 0.000 2.131 465 L HA -0.036 4.305 4.340 0.001 0.000 0.210 465 L C 1.921 178.586 176.870 -0.342 0.000 1.092 465 L CA 1.374 56.062 54.840 -0.253 0.000 0.759 465 L CB -0.571 41.349 42.059 -0.231 0.000 0.903 465 L HN 0.316 nan 8.230 nan 0.000 0.435 466 I N -2.485 117.721 120.570 -0.607 0.000 2.512 466 I HA -0.142 4.028 4.170 0.001 0.000 0.247 466 I C 2.369 177.816 176.117 -1.117 0.000 1.094 466 I CA 0.809 61.627 61.300 -0.803 0.000 1.427 466 I CB -1.190 36.136 38.000 -1.124 0.000 1.149 466 I HN 0.144 nan 8.210 nan 0.000 0.438 467 Y N 1.758 121.564 120.300 -0.823 0.000 2.333 467 Y HA -0.145 4.406 4.550 0.001 0.000 0.290 467 Y C 2.148 177.869 175.900 -0.299 0.000 1.144 467 Y CA 0.873 58.536 58.100 -0.728 0.000 1.228 467 Y CB -1.285 37.051 38.460 -0.206 0.000 0.985 467 Y HN 0.372 nan 8.280 nan 0.000 0.542 468 N N -1.026 117.620 118.700 -0.091 0.000 2.831 468 N HA -0.024 4.716 4.740 0.001 0.000 0.233 468 N C 1.290 176.802 175.510 0.003 0.000 1.031 468 N CA 0.400 53.466 53.050 0.026 0.000 1.198 468 N CB -0.219 38.286 38.487 0.030 0.000 1.595 468 N HN -0.008 nan 8.380 nan 0.000 0.588 469 N N 1.733 120.409 118.700 -0.041 0.000 2.027 469 N HA -0.214 4.527 4.740 0.001 0.000 0.200 469 N C 1.581 177.100 175.510 0.014 0.000 1.042 469 N CA 1.955 54.994 53.050 -0.019 0.000 0.871 469 N CB -0.568 37.893 38.487 -0.043 0.000 1.063 469 N HN 0.293 nan 8.380 nan 0.000 0.438 470 A N -0.091 122.715 122.820 -0.022 0.000 1.972 470 A HA -0.057 4.263 4.320 0.001 0.000 0.219 470 A C 1.729 179.450 177.584 0.227 0.000 1.169 470 A CA 0.979 53.063 52.037 0.079 0.000 0.635 470 A CB -0.673 18.407 19.000 0.133 0.000 0.810 470 A HN 0.209 nan 8.150 nan 0.000 0.446 471 F N -0.164 119.792 119.950 0.010 0.000 2.293 471 F HA 0.001 4.528 4.527 0.001 0.000 0.300 471 F C 2.069 177.865 175.800 -0.006 0.000 1.086 471 F CA 0.046 58.042 58.000 -0.007 0.000 1.375 471 F CB -0.751 38.239 39.000 -0.018 0.000 1.045 471 F HN 0.148 nan 8.300 nan 0.000 0.516 472 I N -0.378 120.298 120.570 0.177 0.000 2.193 472 I HA -0.222 3.949 4.170 0.001 0.000 0.240 472 I C 2.620 178.780 176.117 0.072 0.000 1.084 472 I CA 1.131 62.482 61.300 0.084 0.000 1.365 472 I CB -0.733 37.303 38.000 0.060 0.000 1.064 472 I HN -0.005 nan 8.210 nan 0.000 0.410 473 A N 0.600 123.469 122.820 0.081 0.000 1.940 473 A HA -0.277 4.043 4.320 0.001 0.000 0.219 473 A C 2.244 179.864 177.584 0.059 0.000 1.176 473 A CA 1.635 53.705 52.037 0.055 0.000 0.631 473 A CB -1.009 18.020 19.000 0.049 0.000 0.814 473 A HN 0.462 nan 8.150 nan 0.000 0.446 474 F N 0.825 120.733 119.950 -0.071 0.000 2.113 474 F HA -0.016 4.511 4.527 0.001 0.000 0.297 474 F C 2.523 178.275 175.800 -0.079 0.000 1.103 474 F CA 1.144 59.077 58.000 -0.112 0.000 1.248 474 F CB -0.471 38.436 39.000 -0.156 0.000 0.999 474 F HN 0.241 nan 8.300 nan 0.000 0.475 475 A N -0.764 122.036 122.820 -0.034 0.000 1.933 475 A HA -0.146 4.174 4.320 0.001 0.000 0.218 475 A C 2.179 179.684 177.584 -0.130 0.000 1.175 475 A CA 2.251 54.213 52.037 -0.126 0.000 0.628 475 A CB -1.324 17.633 19.000 -0.071 0.000 0.814 475 A HN 0.441 nan 8.150 nan 0.000 0.444 476 T N -0.238 114.269 114.554 -0.078 0.000 2.809 476 T HA -0.046 4.305 4.350 0.001 0.000 0.260 476 T C 1.060 175.711 174.700 -0.082 0.000 1.039 476 T CA 1.406 63.471 62.100 -0.060 0.000 1.141 476 T CB -0.173 68.682 68.868 -0.022 0.000 0.869 476 T HN 0.510 nan 8.240 nan 0.000 0.437 477 D N 0.279 120.622 120.400 -0.095 0.000 2.441 477 D HA 0.269 4.909 4.640 0.001 0.000 0.210 477 D C 0.699 176.913 176.300 -0.143 0.000 1.102 477 D CA 0.030 53.977 54.000 -0.090 0.000 0.840 477 D CB 0.583 41.359 40.800 -0.041 0.000 0.990 477 D HN 0.233 nan 8.370 nan 0.000 0.505 478 L N 1.188 122.227 121.223 -0.307 0.000 3.898 478 L HA -0.199 4.142 4.340 0.001 0.000 0.407 478 L C -0.629 176.155 176.870 -0.144 0.000 1.207 478 L CA 0.501 55.049 54.840 -0.487 0.000 0.931 478 L CB -1.329 40.550 42.059 -0.299 0.000 2.014 478 L HN 0.071 nan 8.230 nan 0.000 0.858 479 D N -0.756 119.633 120.400 -0.018 0.000 2.548 479 D HA 0.242 4.883 4.640 0.001 0.000 0.214 479 D C -1.879 174.399 176.300 -0.037 0.000 1.345 479 D CA -1.024 52.986 54.000 0.018 0.000 0.945 479 D CB 1.808 42.630 40.800 0.036 0.000 1.499 479 D HN -0.202 nan 8.370 nan 0.000 0.579 480 P HA -0.068 nan 4.420 nan 0.000 0.223 480 P C 0.766 178.041 177.300 -0.041 0.000 1.151 480 P CA 0.441 63.433 63.100 -0.181 0.000 0.787 480 P CB 0.536 31.884 31.700 -0.587 0.000 0.788 481 N N -0.011 118.664 118.700 -0.041 0.000 2.453 481 N HA -0.065 4.675 4.740 0.001 0.000 0.183 481 N C 1.622 177.159 175.510 0.044 0.000 1.041 481 N CA 1.630 54.711 53.050 0.052 0.000 0.900 481 N CB -0.752 37.786 38.487 0.086 0.000 0.961 481 N HN 0.336 nan 8.380 nan 0.000 0.443 482 T N -1.900 112.670 114.554 0.027 0.000 3.051 482 T HA 0.099 4.450 4.350 0.001 0.000 0.269 482 T C 1.908 176.624 174.700 0.027 0.000 1.127 482 T CA 0.754 62.870 62.100 0.026 0.000 1.107 482 T CB -0.105 68.773 68.868 0.016 0.000 0.898 482 T HN 0.123 nan 8.240 nan 0.000 0.517 483 A N 1.578 124.418 122.820 0.032 0.000 2.070 483 A HA 0.418 4.739 4.320 0.001 0.000 0.220 483 A C 2.075 179.673 177.584 0.022 0.000 1.159 483 A CA 0.920 52.974 52.037 0.028 0.000 0.656 483 A CB -1.327 17.693 19.000 0.033 0.000 0.800 483 A HN 1.539 nan 8.150 nan 0.000 0.453 484 G N -1.265 107.552 108.800 0.028 0.000 2.248 484 G HA2 -0.179 3.781 3.960 0.001 0.000 0.252 484 G HA3 -0.179 3.781 3.960 0.001 0.000 0.252 484 G C -0.070 174.841 174.900 0.018 0.000 1.085 484 G CA 0.224 45.338 45.100 0.023 0.000 0.845 484 G HN 0.462 nan 8.290 nan 0.000 0.494 485 L N -0.429 120.809 121.223 0.024 0.000 2.456 485 L HA 0.341 4.682 4.340 0.001 0.000 0.257 485 L C 1.872 178.751 176.870 0.014 0.000 1.162 485 L CA -1.197 53.648 54.840 0.008 0.000 0.808 485 L CB 0.440 42.503 42.059 0.006 0.000 1.136 485 L HN 0.022 nan 8.230 nan 0.000 0.466 486 L N 1.584 122.807 121.223 0.001 0.000 2.395 486 L HA 0.086 4.426 4.340 0.001 0.000 0.218 486 L C 0.307 177.187 176.870 0.017 0.000 1.130 486 L CA 0.875 55.720 54.840 0.008 0.000 0.826 486 L CB 0.123 42.182 42.059 -0.000 0.000 0.941 486 L HN 0.274 nan 8.230 nan 0.000 0.451 487 V N 0.827 120.749 119.914 0.013 0.000 2.384 487 V HA 0.214 4.334 4.120 0.001 0.000 0.287 487 V C 0.493 176.620 176.094 0.055 0.000 1.020 487 V CA -1.041 61.272 62.300 0.022 0.000 0.850 487 V CB 1.888 33.705 31.823 -0.010 0.000 0.987 487 V HN 0.124 nan 8.190 nan 0.000 0.436 488 K N 4.225 124.675 120.400 0.085 0.000 2.350 488 K HA 0.068 4.388 4.320 0.001 0.000 0.279 488 K C -0.657 176.077 176.600 0.224 0.000 1.027 488 K CA -0.491 55.884 56.287 0.147 0.000 0.969 488 K CB 0.572 33.151 32.500 0.132 0.000 0.954 488 K HN 0.693 nan 8.250 nan 0.000 0.474 489 W N 8.201 129.552 121.300 0.086 0.000 2.387 489 W HA 0.219 4.880 4.660 0.001 0.000 0.310 489 W C -2.340 174.318 176.519 0.231 0.000 1.181 489 W CA -2.740 54.691 57.345 0.143 0.000 1.333 489 W CB 0.465 29.996 29.460 0.118 0.000 1.286 489 W HN 0.508 nan 8.180 nan 0.000 0.455 490 P HA 0.070 nan 4.420 nan 0.000 0.277 490 P C -0.506 177.007 177.300 0.355 0.000 1.240 490 P CA -0.035 63.279 63.100 0.356 0.000 0.798 490 P CB 1.377 33.204 31.700 0.212 0.000 0.979 491 E N 1.285 121.562 120.200 0.128 0.000 2.373 491 E HA 0.033 4.383 4.350 0.001 0.000 0.267 491 E C -1.182 175.420 176.600 0.003 0.000 1.032 491 E CA -0.432 55.905 56.400 -0.105 0.000 0.889 491 E CB 0.249 29.868 29.700 -0.136 0.000 0.984 491 E HN 0.351 nan 8.360 nan 0.000 0.425 492 Y N 3.717 123.936 120.300 -0.135 0.000 2.341 492 Y HA 0.142 4.692 4.550 0.001 0.000 0.340 492 Y C 0.871 176.720 175.900 -0.086 0.000 0.997 492 Y CA 0.061 58.131 58.100 -0.051 0.000 1.149 492 Y CB 1.217 39.677 38.460 -0.000 0.000 1.171 492 Y HN 0.648 nan 8.280 nan 0.000 0.494 493 T N 0.044 114.539 114.554 -0.098 0.000 3.071 493 T HA 0.306 4.656 4.350 0.001 0.000 0.239 493 T C 0.357 175.029 174.700 -0.046 0.000 0.997 493 T CA 0.476 62.550 62.100 -0.044 0.000 1.134 493 T CB -0.015 68.796 68.868 -0.096 0.000 0.928 493 T HN 0.452 nan 8.240 nan 0.000 0.453 494 S N -0.202 115.337 115.700 -0.269 0.000 2.567 494 S HA 0.459 4.929 4.470 0.001 0.000 0.270 494 S C 0.556 174.928 174.600 -0.381 0.000 1.152 494 S CA 0.039 58.130 58.200 -0.181 0.000 0.835 494 S CB 1.456 64.570 63.200 -0.144 0.000 1.115 494 S HN 0.467 nan 8.310 nan 0.000 0.459 495 S N 1.538 117.129 115.700 -0.181 0.000 2.555 495 S HA 0.050 4.521 4.470 0.001 0.000 0.230 495 S C 1.047 175.518 174.600 -0.216 0.000 0.978 495 S CA 0.861 58.938 58.200 -0.205 0.000 0.934 495 S CB -0.176 62.938 63.200 -0.143 0.000 0.766 495 S HN 0.491 nan 8.310 nan 0.000 0.533 496 S N 1.588 117.173 115.700 -0.192 0.000 2.556 496 S HA 0.130 4.600 4.470 0.001 0.000 0.216 496 S C 0.666 175.179 174.600 -0.144 0.000 0.970 496 S CA -0.565 57.544 58.200 -0.152 0.000 0.912 496 S CB -0.085 63.040 63.200 -0.126 0.000 0.790 496 S HN 0.843 nan 8.310 nan 0.000 0.504 497 Q N 2.088 121.776 119.800 -0.185 0.000 2.373 497 Q HA 0.313 4.654 4.340 0.001 0.000 0.255 497 Q C -0.275 175.645 176.000 -0.133 0.000 0.980 497 Q CA -0.321 55.384 55.803 -0.163 0.000 0.882 497 Q CB 0.438 29.049 28.738 -0.211 0.000 1.249 497 Q HN 0.233 nan 8.270 nan 0.000 0.438 498 S N 1.286 116.929 115.700 -0.095 0.000 2.584 498 S HA 0.689 5.160 4.470 0.001 0.000 0.273 498 S C 0.438 174.998 174.600 -0.066 0.000 1.311 498 S CA -0.037 58.121 58.200 -0.070 0.000 1.034 498 S CB 0.997 64.166 63.200 -0.051 0.000 0.939 498 S HN 1.392 nan 8.310 nan 0.000 0.513 499 G N 2.005 110.775 108.800 -0.049 0.000 2.690 499 G HA2 -0.163 3.797 3.960 0.001 0.000 0.686 499 G HA3 -0.163 3.797 3.960 0.001 0.000 0.686 499 G C -0.849 174.028 174.900 -0.039 0.000 1.277 499 G CA -0.988 44.091 45.100 -0.034 0.000 0.799 499 G HN 0.971 nan 8.290 nan 0.000 0.613 500 N N 0.990 119.685 118.700 -0.009 0.000 2.454 500 N HA 0.238 4.979 4.740 0.001 0.000 0.260 500 N C 1.117 176.627 175.510 0.000 0.000 1.218 500 N CA 0.507 53.560 53.050 0.004 0.000 0.904 500 N CB 0.395 38.899 38.487 0.029 0.000 1.065 500 N HN 0.717 nan 8.380 nan 0.000 0.462 501 N N 2.564 121.259 118.700 -0.007 0.000 2.143 501 N HA 0.101 4.841 4.740 0.001 0.000 0.222 501 N C -0.736 174.898 175.510 0.205 0.000 1.264 501 N CA 0.072 53.126 53.050 0.006 0.000 0.897 501 N CB 0.644 38.946 38.487 -0.308 0.000 1.092 501 N HN 0.308 nan 8.380 nan 0.000 0.516 502 L N 0.836 122.151 121.223 0.153 0.000 2.346 502 L HA 0.520 4.860 4.340 0.001 0.000 0.274 502 L C -0.600 176.244 176.870 -0.043 0.000 1.007 502 L CA -1.120 53.817 54.840 0.162 0.000 0.818 502 L CB 1.998 44.147 42.059 0.149 0.000 1.284 502 L HN 0.014 nan 8.230 nan 0.000 0.424 503 M N 4.182 123.656 119.600 -0.211 0.000 2.180 503 M HA 0.465 4.946 4.480 0.001 0.000 0.358 503 M C -0.809 175.256 176.300 -0.392 0.000 1.233 503 M CA 0.431 55.390 55.300 -0.568 0.000 1.114 503 M CB 0.762 32.480 32.600 -1.469 0.000 1.594 503 M HN 0.376 nan 8.290 nan 0.000 0.467 504 M N 5.949 125.237 119.600 -0.519 0.000 2.662 504 M HA 0.587 5.067 4.480 0.001 0.000 0.310 504 M C -1.178 174.825 176.300 -0.496 0.000 1.204 504 M CA -0.451 54.493 55.300 -0.595 0.000 0.891 504 M CB 1.867 33.717 32.600 -1.249 0.000 1.732 504 M HN 0.641 nan 8.290 nan 0.000 0.467 505 I N 2.285 122.698 120.570 -0.260 0.000 2.569 505 I HA 0.372 4.543 4.170 0.001 0.000 0.290 505 I C -0.752 175.391 176.117 0.044 0.000 1.088 505 I CA -0.734 60.495 61.300 -0.119 0.000 1.047 505 I CB 2.153 40.045 38.000 -0.180 0.000 1.237 505 I HN 0.726 nan 8.210 nan 0.000 0.421 506 N N 4.463 123.227 118.700 0.106 0.000 2.701 506 N HA 0.524 5.264 4.740 0.001 0.000 0.290 506 N C 0.578 176.077 175.510 -0.018 0.000 1.338 506 N CA -0.577 52.526 53.050 0.088 0.000 0.799 506 N CB 0.999 39.565 38.487 0.131 0.000 1.491 506 N HN 0.506 nan 8.380 nan 0.000 0.540 507 A N -0.482 122.321 122.820 -0.029 0.000 1.986 507 A HA -0.088 4.232 4.320 0.001 0.000 0.220 507 A C 1.680 179.222 177.584 -0.069 0.000 1.171 507 A CA 1.431 53.430 52.037 -0.062 0.000 0.640 507 A CB -0.767 18.212 19.000 -0.033 0.000 0.811 507 A HN 0.482 nan 8.150 nan 0.000 0.451 508 L N -2.442 118.752 121.223 -0.049 0.000 2.162 508 L HA 0.328 4.669 4.340 0.001 0.000 0.205 508 L C 1.557 178.395 176.870 -0.053 0.000 1.086 508 L CA 1.427 56.238 54.840 -0.049 0.000 0.778 508 L CB -0.882 41.150 42.059 -0.045 0.000 0.928 508 L HN 0.573 nan 8.230 nan 0.000 0.446 509 G N -1.997 106.779 108.800 -0.041 0.000 2.552 509 G HA2 0.301 4.261 3.960 0.001 0.000 0.137 509 G HA3 0.301 4.261 3.960 0.001 0.000 0.137 509 G C -1.571 173.320 174.900 -0.015 0.000 1.135 509 G CA -0.672 44.397 45.100 -0.051 0.000 1.047 509 G HN -0.072 nan 8.290 nan 0.000 0.501 510 L N 0.656 121.872 121.223 -0.010 0.000 2.330 510 L HA 0.892 5.233 4.340 0.001 0.000 0.271 510 L C -0.292 176.659 176.870 0.135 0.000 1.013 510 L CA -1.110 53.718 54.840 -0.021 0.000 0.816 510 L CB 1.898 43.880 42.059 -0.128 0.000 1.287 510 L HN 0.881 nan 8.230 nan 0.000 0.435 511 Y N -1.097 119.139 120.300 -0.106 0.000 2.750 511 Y HA 0.716 5.267 4.550 0.001 0.000 0.335 511 Y C -0.785 175.072 175.900 -0.072 0.000 1.252 511 Y CA -1.303 56.755 58.100 -0.070 0.000 1.064 511 Y CB 1.000 39.431 38.460 -0.048 0.000 1.321 511 Y HN 0.569 nan 8.280 nan 0.000 0.451 512 T N -0.851 113.710 114.554 0.012 0.000 2.912 512 T HA 0.932 5.282 4.350 0.001 0.000 0.288 512 T C -0.115 174.581 174.700 -0.006 0.000 1.030 512 T CA -0.143 61.907 62.100 -0.082 0.000 1.020 512 T CB 1.642 70.508 68.868 -0.004 0.000 1.056 512 T HN 1.560 nan 8.240 nan 0.000 0.480 513 G N 0.714 109.493 108.800 -0.036 0.000 2.782 513 G HA2 0.666 4.627 3.960 0.001 0.000 0.304 513 G HA3 0.666 4.627 3.960 0.001 0.000 0.304 513 G C -1.746 173.188 174.900 0.058 0.000 1.315 513 G CA -1.145 43.981 45.100 0.043 0.000 0.791 513 G HN 0.783 nan 8.290 nan 0.000 0.519 514 K N -0.160 120.295 120.400 0.092 0.000 2.318 514 K HA 0.385 4.705 4.320 0.001 0.000 0.249 514 K C -1.502 175.169 176.600 0.119 0.000 0.942 514 K CA -0.732 55.596 56.287 0.067 0.000 0.808 514 K CB 2.614 35.131 32.500 0.028 0.000 1.189 514 K HN 0.374 nan 8.250 nan 0.000 0.428 515 D N 2.206 122.622 120.400 0.027 0.000 2.767 515 D HA 0.064 4.705 4.640 0.001 0.000 0.241 515 D C -0.225 175.872 176.300 -0.338 0.000 1.187 515 D CA -0.185 53.751 54.000 -0.106 0.000 0.999 515 D CB -0.134 40.723 40.800 0.095 0.000 1.042 515 D HN 0.519 nan 8.370 nan 0.000 0.510 516 N N 1.165 119.666 118.700 -0.331 0.000 2.184 516 N HA 0.065 4.806 4.740 0.001 0.000 0.234 516 N C -0.259 175.108 175.510 -0.238 0.000 1.282 516 N CA -0.545 52.340 53.050 -0.275 0.000 0.877 516 N CB -0.788 37.629 38.487 -0.117 0.000 1.184 516 N HN 0.125 nan 8.380 nan 0.000 0.510 517 F N 0.504 120.426 119.950 -0.046 0.000 2.406 517 F HA 0.530 5.057 4.527 0.000 0.000 0.327 517 F C 1.186 176.949 175.800 -0.062 0.000 1.153 517 F CA -1.179 56.779 58.000 -0.069 0.000 1.218 517 F CB 0.493 39.430 39.000 -0.106 0.000 1.215 517 F HN -0.129 nan 8.300 nan 0.000 0.570 518 R N -0.555 120.016 120.500 0.118 0.000 3.301 518 R HA -0.205 4.136 4.340 0.001 0.000 0.249 518 R C 1.068 177.371 176.300 0.004 0.000 0.964 518 R CA 0.686 56.808 56.100 0.036 0.000 0.653 518 R CB -2.318 28.044 30.300 0.103 0.000 1.043 518 R HN 1.004 nan 8.270 nan 0.000 0.454 519 T N -3.339 111.195 114.554 -0.033 0.000 2.833 519 T HA -0.107 4.243 4.350 0.001 0.000 0.269 519 T C 1.986 176.716 174.700 0.049 0.000 1.054 519 T CA 0.997 63.087 62.100 -0.016 0.000 1.135 519 T CB 0.004 68.836 68.868 -0.060 0.000 0.869 519 T HN 0.504 nan 8.240 nan 0.000 0.466 520 A N 1.712 124.520 122.820 -0.020 0.000 1.930 520 A HA 0.304 4.624 4.320 0.001 0.000 0.217 520 A C 2.695 180.226 177.584 -0.089 0.000 1.175 520 A CA 1.435 53.442 52.037 -0.049 0.000 0.627 520 A CB -1.472 17.472 19.000 -0.092 0.000 0.815 520 A HN 0.600 nan 8.150 nan 0.000 0.443 521 G N -1.862 106.840 108.800 -0.164 0.000 2.408 521 G HA2 -0.224 3.736 3.960 0.001 0.000 0.217 521 G HA3 -0.224 3.736 3.960 0.001 0.000 0.217 521 G C 1.505 176.417 174.900 0.019 0.000 1.150 521 G CA 1.124 46.121 45.100 -0.172 0.000 0.776 521 G HN 0.560 nan 8.290 nan 0.000 0.542 522 Y N 1.847 122.149 120.300 0.004 0.000 2.128 522 Y HA -0.165 4.386 4.550 0.001 0.000 0.284 522 Y C 2.381 178.325 175.900 0.074 0.000 1.154 522 Y CA 2.195 60.373 58.100 0.129 0.000 1.149 522 Y CB 0.059 38.628 38.460 0.182 0.000 0.976 522 Y HN 0.190 nan 8.280 nan 0.000 0.505 523 D N -0.196 120.305 120.400 0.168 0.000 2.224 523 D HA -0.091 4.550 4.640 0.001 0.000 0.205 523 D C 2.203 178.461 176.300 -0.071 0.000 0.965 523 D CA 1.128 55.171 54.000 0.071 0.000 0.852 523 D CB -0.383 40.486 40.800 0.116 0.000 0.947 523 D HN 0.497 nan 8.370 nan 0.000 0.494 524 A N 0.692 123.436 122.820 -0.126 0.000 1.898 524 A HA -0.119 4.201 4.320 0.001 0.000 0.216 524 A C 2.071 179.415 177.584 -0.400 0.000 1.181 524 A CA 0.904 52.834 52.037 -0.178 0.000 0.620 524 A CB -0.339 18.573 19.000 -0.147 0.000 0.819 524 A HN 0.107 nan 8.150 nan 0.000 0.442 525 L N -2.086 118.713 121.223 -0.707 0.000 2.102 525 L HA 0.148 4.489 4.340 0.001 0.000 0.202 525 L C 1.322 177.536 176.870 -1.093 0.000 1.076 525 L CA 1.588 55.636 54.840 -1.320 0.000 0.761 525 L CB -1.021 39.957 42.059 -1.803 0.000 0.921 525 L HN 0.431 nan 8.230 nan 0.000 0.444 526 F N -1.992 117.734 119.950 -0.373 0.000 2.639 526 F HA 0.243 4.770 4.527 0.000 0.000 0.302 526 F C 2.179 177.885 175.800 -0.157 0.000 1.097 526 F CA -0.158 57.631 58.000 -0.351 0.000 1.294 526 F CB -0.906 37.814 39.000 -0.466 0.000 1.027 526 F HN -0.142 nan 8.300 nan 0.000 0.550 527 S N -0.103 115.593 115.700 -0.006 0.000 2.402 527 S HA -0.142 4.328 4.470 0.001 0.000 0.229 527 S C 0.995 175.607 174.600 0.020 0.000 1.021 527 S CA 1.032 59.260 58.200 0.045 0.000 0.974 527 S CB -0.231 62.983 63.200 0.024 0.000 0.800 527 S HN 0.449 nan 8.310 nan 0.000 0.484 528 N N 0.004 118.679 118.700 -0.042 0.000 2.685 528 N HA 0.184 4.924 4.740 0.001 0.000 0.252 528 N C -2.862 172.521 175.510 -0.212 0.000 1.261 528 N CA -1.404 51.580 53.050 -0.110 0.000 0.768 528 N CB 1.352 39.769 38.487 -0.117 0.000 1.304 528 N HN -0.117 nan 8.380 nan 0.000 0.536 529 P HA -0.107 nan 4.420 nan 0.000 0.216 529 P C -1.660 175.083 177.300 -0.929 0.000 1.157 529 P CA 1.472 64.254 63.100 -0.530 0.000 0.880 529 P CB -0.492 30.750 31.700 -0.764 0.000 0.791 530 P HA -0.058 nan 4.420 nan 0.000 0.226 530 P C 1.232 178.007 177.300 -0.874 0.000 1.146 530 P CA 1.424 63.573 63.100 -1.585 0.000 0.773 530 P CB -0.553 30.600 31.700 -0.910 0.000 0.772 531 S N -1.795 113.538 115.700 -0.612 0.000 2.481 531 S HA 0.025 4.495 4.470 0.001 0.000 0.231 531 S C 0.759 174.868 174.600 -0.819 0.000 0.996 531 S CA 0.846 58.692 58.200 -0.590 0.000 0.942 531 S CB -0.593 62.233 63.200 -0.623 0.000 0.768 531 S HN 0.184 nan 8.310 nan 0.000 0.520 532 F N 0.391 120.129 119.950 -0.354 0.000 2.708 532 F HA 0.423 4.950 4.527 0.001 0.000 0.300 532 F C -0.118 175.737 175.800 0.092 0.000 1.118 532 F CA -0.795 57.011 58.000 -0.323 0.000 1.307 532 F CB 0.258 38.857 39.000 -0.668 0.000 0.986 532 F HN 0.010 nan 8.300 nan 0.000 0.522 533 F N 0.875 120.848 119.950 0.038 0.000 2.371 533 F HA 0.494 5.021 4.527 0.000 0.000 0.329 533 F C 0.674 176.589 175.800 0.191 0.000 1.107 533 F CA -1.844 56.194 58.000 0.062 0.000 1.137 533 F CB 0.789 39.749 39.000 -0.067 0.000 1.214 533 F HN -0.234 nan 8.300 nan 0.000 0.536 534 V N 0.000 120.091 119.914 0.294 0.000 2.409 534 V HA 0.000 4.120 4.120 0.001 0.000 0.244 534 V CA 0.000 62.406 62.300 0.176 0.000 1.235 534 V CB 0.000 31.876 31.823 0.089 0.000 1.184 534 V HN 0.000 nan 8.190 nan 0.000 0.556