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 1tjv_1_D DATA FIRST_RESID 19 DATA SEQUENCE TDPIMEKLNS SIAYDQRLSE VDIQGSMAYA KALEKAGILT KTELEKILSG DATA SEQUENCE LEKISEEWSK GVFVVKQSDE DIHTANERRL KELIGDIAGK LHTGRSRNDQ DATA SEQUENCE VVTDLKLFMK NSLSIISTHL LQLIKTLVER AAIEIDVILP GYDHLQKAQP DATA SEQUENCE IRWSQFLLSH AVALTRDSER LGEVKKRINV LPLGSGALAG NPLDIDREML DATA SEQUENCE RSELEFASIS LNSMDAISER DFVVEFLSFA TLLMIHLSKM AEDLIIYSTS DATA SEQUENCE EFGFLTLSDA FSTGSSLMPQ KKNPDSLELI RSKAGRVFGR LASILMVLKG DATA SEQUENCE LPSTYNKDLQ EDKEAVFDVV DTLTAVLQVA TGVISTLQIS KENMEKALTP DATA SEQUENCE EMLATDLALY LVRKGVPFRQ AHTASGKAVH LAETKGITIN KLSLEDLKSI DATA SEQUENCE SPQFSSDVSQ VFNFVNSVEQ YTALAGTAKS SVTTQIEQLR ELMKKQKEQA 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 19 T HA 0.000 nan 4.350 nan 0.000 0.228 19 T C 0.000 174.706 174.700 0.009 0.000 1.109 19 T CA 0.000 62.105 62.100 0.009 0.000 1.349 19 T CB 0.000 68.872 68.868 0.007 0.000 0.612 20 D N 3.234 123.640 120.400 0.010 0.000 2.458 20 D HA 0.183 4.822 4.640 -0.000 0.000 0.243 20 D C -1.644 174.663 176.300 0.011 0.000 1.146 20 D CA -1.383 52.623 54.000 0.010 0.000 0.877 20 D CB 1.363 42.169 40.800 0.010 0.000 1.176 20 D HN 0.029 nan 8.370 nan 0.000 0.461 21 P HA -0.158 nan 4.420 nan 0.000 0.216 21 P C 1.242 178.551 177.300 0.014 0.000 1.153 21 P CA 1.144 64.251 63.100 0.012 0.000 0.858 21 P CB 0.122 31.829 31.700 0.011 0.000 0.789 22 I N -2.307 118.271 120.570 0.014 0.000 2.286 22 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 22 I C 2.333 178.461 176.117 0.018 0.000 1.104 22 I CA 1.189 62.498 61.300 0.015 0.000 1.397 22 I CB -0.550 37.457 38.000 0.013 0.000 1.072 22 I HN -0.070 nan 8.210 nan 0.000 0.417 23 M N 0.353 119.963 119.600 0.017 0.000 2.080 23 M HA -0.245 4.234 4.480 -0.000 0.000 0.260 23 M C 2.251 178.565 176.300 0.023 0.000 1.068 23 M CA 1.744 57.055 55.300 0.019 0.000 1.109 23 M CB -1.145 31.465 32.600 0.017 0.000 1.342 23 M HN 0.255 nan 8.290 nan 0.000 0.405 24 E N 0.207 120.420 120.200 0.020 0.000 2.070 24 E HA -0.265 4.084 4.350 -0.000 0.000 0.197 24 E C 1.928 178.542 176.600 0.024 0.000 1.004 24 E CA 1.780 58.192 56.400 0.021 0.000 0.805 24 E CB 0.138 29.848 29.700 0.017 0.000 0.744 24 E HN 0.254 nan 8.360 nan 0.000 0.451 25 K N 0.154 120.569 120.400 0.025 0.000 2.057 25 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 25 K C 2.049 178.675 176.600 0.042 0.000 1.049 25 K CA 0.937 57.242 56.287 0.031 0.000 0.931 25 K CB -0.157 32.360 32.500 0.029 0.000 0.714 25 K HN 0.156 nan 8.250 nan 0.000 0.440 26 L N 0.919 122.166 121.223 0.041 0.000 2.131 26 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 26 L C 1.524 178.432 176.870 0.064 0.000 1.092 26 L CA 0.951 55.822 54.840 0.051 0.000 0.759 26 L CB -0.359 41.722 42.059 0.037 0.000 0.903 26 L HN 0.271 nan 8.230 nan 0.000 0.435 27 N N -0.693 118.037 118.700 0.050 0.000 2.457 27 N HA -0.058 4.682 4.740 -0.000 0.000 0.180 27 N C 0.891 176.426 175.510 0.041 0.000 1.050 27 N CA 0.270 53.352 53.050 0.053 0.000 0.906 27 N CB 0.066 38.578 38.487 0.042 0.000 0.968 27 N HN 0.093 nan 8.380 nan 0.000 0.445 28 S N 0.306 116.024 115.700 0.029 0.000 2.549 28 S HA 0.181 4.651 4.470 -0.000 0.000 0.279 28 S C 1.072 175.628 174.600 -0.074 0.000 1.321 28 S CA -0.298 57.894 58.200 -0.013 0.000 1.054 28 S CB 0.496 63.694 63.200 -0.004 0.000 0.899 28 S HN 0.339 nan 8.310 nan 0.000 0.497 29 S N 4.006 119.569 115.700 -0.229 0.000 2.787 29 S HA 0.115 4.585 4.470 -0.000 0.000 0.255 29 S C 1.173 175.348 174.600 -0.709 0.000 1.051 29 S CA -0.258 57.520 58.200 -0.703 0.000 1.124 29 S CB -0.336 62.510 63.200 -0.589 0.000 1.104 29 S HN 0.639 nan 8.310 nan 0.000 0.623 30 I N 3.126 123.498 120.570 -0.331 0.000 2.423 30 I HA 0.026 4.196 4.170 -0.000 0.000 0.254 30 I C 2.325 178.330 176.117 -0.188 0.000 1.151 30 I CA 1.204 62.374 61.300 -0.218 0.000 1.421 30 I CB -0.521 37.428 38.000 -0.084 0.000 1.079 30 I HN 0.452 nan 8.210 nan 0.000 0.431 31 A N -0.287 122.422 122.820 -0.184 0.000 2.067 31 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 31 A C 1.789 179.388 177.584 0.026 0.000 1.158 31 A CA 1.856 53.870 52.037 -0.038 0.000 0.661 31 A CB -0.807 18.227 19.000 0.057 0.000 0.801 31 A HN 0.735 nan 8.150 nan 0.000 0.452 32 Y N -2.465 117.843 120.300 0.014 0.000 2.540 32 Y HA 0.303 4.853 4.550 -0.000 0.000 0.257 32 Y C 0.542 176.417 175.900 -0.042 0.000 1.090 32 Y CA -0.382 57.726 58.100 0.013 0.000 1.242 32 Y CB -0.131 38.396 38.460 0.112 0.000 1.325 32 Y HN 0.244 nan 8.280 nan 0.000 0.544 33 D N 0.227 120.517 120.400 -0.183 0.000 2.368 33 D HA 0.020 4.659 4.640 -0.000 0.000 0.218 33 D C 1.069 177.162 176.300 -0.345 0.000 1.112 33 D CA 0.026 53.949 54.000 -0.128 0.000 0.834 33 D CB -0.047 40.709 40.800 -0.073 0.000 0.953 33 D HN 0.477 nan 8.370 nan 0.000 0.505 34 Q N 0.496 120.085 119.800 -0.352 0.000 2.226 34 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 34 Q C 1.988 177.623 176.000 -0.608 0.000 0.975 34 Q CA 1.319 56.837 55.803 -0.476 0.000 0.866 34 Q CB -0.189 28.383 28.738 -0.276 0.000 0.915 34 Q HN 0.492 nan 8.270 nan 0.000 0.440 35 R N 0.362 120.547 120.500 -0.526 0.000 2.293 35 R HA -0.086 4.254 4.340 -0.000 0.000 0.219 35 R C 1.280 177.300 176.300 -0.466 0.000 1.091 35 R CA 0.856 56.663 56.100 -0.488 0.000 1.004 35 R CB -0.294 29.688 30.300 -0.531 0.000 0.865 35 R HN 0.227 nan 8.270 nan 0.000 0.469 36 L N 2.034 122.964 121.223 -0.488 0.000 2.612 36 L HA 0.062 4.401 4.340 -0.000 0.000 0.230 36 L C 2.088 178.734 176.870 -0.373 0.000 1.140 36 L CA 0.293 54.944 54.840 -0.315 0.000 0.896 36 L CB -0.113 41.834 42.059 -0.187 0.000 1.065 36 L HN 0.345 nan 8.230 nan 0.000 0.447 37 S N 0.346 115.652 115.700 -0.656 0.000 2.369 37 S HA -0.299 4.170 4.470 -0.000 0.000 0.225 37 S C 1.846 176.129 174.600 -0.528 0.000 1.043 37 S CA 1.734 59.367 58.200 -0.944 0.000 1.074 37 S CB -0.252 61.699 63.200 -2.082 0.000 0.962 37 S HN 0.457 nan 8.310 nan 0.000 0.433 38 E N 1.624 121.608 120.200 -0.360 0.000 2.047 38 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 38 E C 2.189 178.745 176.600 -0.074 0.000 0.987 38 E CA 1.656 57.966 56.400 -0.150 0.000 0.799 38 E CB -0.681 28.968 29.700 -0.084 0.000 0.752 38 E HN 0.582 nan 8.360 nan 0.000 0.449 39 V N -0.463 119.420 119.914 -0.051 0.000 2.490 39 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 39 V C 2.074 178.178 176.094 0.017 0.000 1.061 39 V CA 2.367 64.670 62.300 0.006 0.000 1.064 39 V CB -0.910 30.953 31.823 0.065 0.000 0.670 39 V HN 0.220 nan 8.190 nan 0.000 0.461 40 D N 0.548 120.941 120.400 -0.011 0.000 2.117 40 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 40 D C 1.911 178.232 176.300 0.034 0.000 0.987 40 D CA 2.020 56.039 54.000 0.031 0.000 0.829 40 D CB -0.269 40.541 40.800 0.017 0.000 0.961 40 D HN 0.545 nan 8.370 nan 0.000 0.460 41 I N 0.205 120.781 120.570 0.009 0.000 2.179 41 I HA -0.245 3.924 4.170 -0.000 0.000 0.242 41 I C 2.400 178.546 176.117 0.048 0.000 1.088 41 I CA 0.760 62.086 61.300 0.044 0.000 1.357 41 I CB -0.300 37.733 38.000 0.053 0.000 1.051 41 I HN 0.118 nan 8.210 nan 0.000 0.409 42 Q N 0.620 120.440 119.800 0.034 0.000 2.096 42 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 42 Q C 2.364 178.401 176.000 0.062 0.000 0.982 42 Q CA 1.907 57.733 55.803 0.038 0.000 0.850 42 Q CB -0.911 27.837 28.738 0.016 0.000 0.901 42 Q HN 0.619 nan 8.270 nan 0.000 0.422 43 G N 0.124 108.966 108.800 0.070 0.000 2.418 43 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 43 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 43 G C 1.677 176.642 174.900 0.110 0.000 1.158 43 G CA 1.057 46.214 45.100 0.094 0.000 0.771 43 G HN 0.333 nan 8.290 nan 0.000 0.545 44 S N 0.209 115.963 115.700 0.089 0.000 2.383 44 S HA -0.013 4.457 4.470 -0.000 0.000 0.227 44 S C 2.391 177.062 174.600 0.118 0.000 1.026 44 S CA 1.143 59.407 58.200 0.107 0.000 0.981 44 S CB -0.214 63.030 63.200 0.073 0.000 0.818 44 S HN 0.353 nan 8.310 nan 0.000 0.472 45 M N 1.124 120.776 119.600 0.086 0.000 2.086 45 M HA -0.104 4.376 4.480 -0.000 0.000 0.261 45 M C 2.499 178.841 176.300 0.070 0.000 1.067 45 M CA 1.536 56.876 55.300 0.067 0.000 1.116 45 M CB -0.530 32.100 32.600 0.051 0.000 1.348 45 M HN 0.393 nan 8.290 nan 0.000 0.407 46 A N -0.693 122.179 122.820 0.088 0.000 1.902 46 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 46 A C 1.995 179.636 177.584 0.095 0.000 1.181 46 A CA 1.496 53.585 52.037 0.086 0.000 0.623 46 A CB -1.076 17.990 19.000 0.109 0.000 0.818 46 A HN 0.547 nan 8.150 nan 0.000 0.443 47 Y N 0.478 120.788 120.300 0.017 0.000 2.181 47 Y HA -0.072 4.477 4.550 -0.000 0.000 0.288 47 Y C 2.737 178.638 175.900 0.002 0.000 1.146 47 Y CA 0.952 59.057 58.100 0.008 0.000 1.164 47 Y CB -0.573 37.889 38.460 0.004 0.000 0.982 47 Y HN 0.323 nan 8.280 nan 0.000 0.515 48 A N 0.254 123.099 122.820 0.042 0.000 1.883 48 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 48 A C 2.243 179.782 177.584 -0.075 0.000 1.186 48 A CA 2.159 54.183 52.037 -0.021 0.000 0.624 48 A CB -0.592 18.422 19.000 0.025 0.000 0.822 48 A HN 0.499 nan 8.150 nan 0.000 0.444 49 K N -0.429 119.941 120.400 -0.050 0.000 2.057 49 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 49 K C 2.304 178.848 176.600 -0.094 0.000 1.049 49 K CA 1.144 57.400 56.287 -0.052 0.000 0.931 49 K CB -0.332 32.154 32.500 -0.024 0.000 0.714 49 K HN 0.459 nan 8.250 nan 0.000 0.440 50 A N 1.466 124.197 122.820 -0.148 0.000 1.898 50 A HA -0.107 4.212 4.320 -0.000 0.000 0.216 50 A C 2.114 179.558 177.584 -0.234 0.000 1.181 50 A CA 1.120 53.043 52.037 -0.190 0.000 0.620 50 A CB -0.593 18.260 19.000 -0.244 0.000 0.819 50 A HN 0.152 nan 8.150 nan 0.000 0.442 51 L N -0.591 120.437 121.223 -0.324 0.000 2.083 51 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 51 L C 2.749 179.541 176.870 -0.130 0.000 1.083 51 L CA 1.558 56.247 54.840 -0.251 0.000 0.752 51 L CB -0.453 41.464 42.059 -0.238 0.000 0.899 51 L HN 0.497 nan 8.230 nan 0.000 0.433 52 E N 1.022 121.159 120.200 -0.104 0.000 2.047 52 E HA -0.271 4.079 4.350 -0.000 0.000 0.191 52 E C 2.119 178.685 176.600 -0.057 0.000 0.987 52 E CA 1.407 57.770 56.400 -0.063 0.000 0.799 52 E CB 0.074 29.745 29.700 -0.048 0.000 0.752 52 E HN 0.375 nan 8.360 nan 0.000 0.449 53 K N 0.078 120.439 120.400 -0.065 0.000 2.097 53 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 53 K C 1.822 178.391 176.600 -0.051 0.000 1.049 53 K CA 1.210 57.466 56.287 -0.052 0.000 0.933 53 K CB -0.167 32.302 32.500 -0.052 0.000 0.717 53 K HN 0.075 nan 8.250 nan 0.000 0.442 54 A N 0.164 122.943 122.820 -0.068 0.000 2.239 54 A HA 0.143 4.463 4.320 -0.000 0.000 0.209 54 A C 1.360 178.918 177.584 -0.043 0.000 1.171 54 A CA 0.936 52.938 52.037 -0.058 0.000 0.768 54 A CB -0.593 18.361 19.000 -0.077 0.000 0.790 54 A HN 0.603 nan 8.150 nan 0.000 0.478 55 G N -0.902 107.873 108.800 -0.041 0.000 2.148 55 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.254 55 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.254 55 G C 0.684 175.568 174.900 -0.026 0.000 0.981 55 G CA 0.428 45.511 45.100 -0.029 0.000 0.670 55 G HN 0.334 nan 8.290 nan 0.000 0.528 56 I N -0.327 120.222 120.570 -0.035 0.000 2.584 56 I HA 0.259 4.429 4.170 -0.000 0.000 0.255 56 I C 1.535 177.639 176.117 -0.020 0.000 1.145 56 I CA 1.047 62.332 61.300 -0.025 0.000 1.462 56 I CB -0.532 37.449 38.000 -0.032 0.000 1.102 56 I HN 0.217 nan 8.210 nan 0.000 0.433 57 L N 0.297 121.503 121.223 -0.030 0.000 2.354 57 L HA 0.318 4.658 4.340 -0.000 0.000 0.269 57 L C 0.500 177.358 176.870 -0.020 0.000 1.005 57 L CA -0.585 54.242 54.840 -0.022 0.000 0.819 57 L CB 1.994 44.037 42.059 -0.027 0.000 1.311 57 L HN 0.066 nan 8.230 nan 0.000 0.423 58 T N -2.252 112.294 114.554 -0.013 0.000 2.816 58 T HA 0.170 4.519 4.350 -0.000 0.000 0.282 58 T C 0.831 175.524 174.700 -0.012 0.000 0.993 58 T CA -0.624 61.469 62.100 -0.011 0.000 0.994 58 T CB 1.621 70.484 68.868 -0.007 0.000 1.025 58 T HN 0.530 nan 8.240 nan 0.000 0.529 59 K N 0.429 120.822 120.400 -0.010 0.000 2.097 59 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 59 K C 2.210 178.806 176.600 -0.006 0.000 1.049 59 K CA 1.921 58.203 56.287 -0.009 0.000 0.933 59 K CB -1.196 31.299 32.500 -0.008 0.000 0.717 59 K HN 0.728 nan 8.250 nan 0.000 0.442 60 T N 0.603 115.154 114.554 -0.004 0.000 2.867 60 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 60 T C 1.441 176.140 174.700 -0.001 0.000 1.057 60 T CA 1.412 63.510 62.100 -0.002 0.000 1.136 60 T CB -0.144 68.723 68.868 -0.002 0.000 0.874 60 T HN 0.380 nan 8.240 nan 0.000 0.466 61 E N 0.428 120.626 120.200 -0.003 0.000 2.072 61 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 61 E C 2.112 178.712 176.600 -0.001 0.000 0.985 61 E CA 0.648 57.047 56.400 -0.001 0.000 0.801 61 E CB -0.197 29.502 29.700 -0.003 0.000 0.750 61 E HN 0.221 nan 8.360 nan 0.000 0.452 62 L N 1.637 122.857 121.223 -0.005 0.000 2.012 62 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 62 L C 1.911 178.782 176.870 0.001 0.000 1.073 62 L CA 1.850 56.687 54.840 -0.005 0.000 0.748 62 L CB -0.249 41.803 42.059 -0.012 0.000 0.891 62 L HN -0.021 nan 8.230 nan 0.000 0.431 63 E N 0.320 120.520 120.200 0.001 0.000 2.204 63 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 63 E C 2.336 178.940 176.600 0.008 0.000 0.990 63 E CA 1.584 57.987 56.400 0.005 0.000 0.821 63 E CB -0.465 29.237 29.700 0.003 0.000 0.750 63 E HN 0.707 nan 8.360 nan 0.000 0.477 64 K N 1.018 121.422 120.400 0.007 0.000 2.103 64 K HA 0.011 4.331 4.320 -0.000 0.000 0.204 64 K C 2.157 178.765 176.600 0.013 0.000 1.052 64 K CA 1.021 57.313 56.287 0.009 0.000 0.945 64 K CB -0.745 31.759 32.500 0.006 0.000 0.722 64 K HN 0.089 nan 8.250 nan 0.000 0.443 65 I N 0.551 121.129 120.570 0.013 0.000 2.202 65 I HA -0.179 3.990 4.170 -0.000 0.000 0.242 65 I C 2.493 178.626 176.117 0.027 0.000 1.091 65 I CA 0.973 62.284 61.300 0.019 0.000 1.368 65 I CB -0.109 37.900 38.000 0.015 0.000 1.058 65 I HN 0.192 nan 8.210 nan 0.000 0.410 66 L N -0.336 120.901 121.223 0.023 0.000 2.046 66 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 66 L C 2.736 179.624 176.870 0.030 0.000 1.077 66 L CA 1.339 56.195 54.840 0.027 0.000 0.747 66 L CB -0.641 41.430 42.059 0.020 0.000 0.896 66 L HN 0.253 nan 8.230 nan 0.000 0.432 67 S N 0.146 115.860 115.700 0.024 0.000 2.356 67 S HA -0.148 4.322 4.470 -0.000 0.000 0.223 67 S C 2.031 176.649 174.600 0.031 0.000 1.032 67 S CA 1.514 59.728 58.200 0.024 0.000 1.005 67 S CB -0.470 62.740 63.200 0.017 0.000 0.867 67 S HN 0.513 nan 8.310 nan 0.000 0.449 68 G N 1.587 110.407 108.800 0.032 0.000 2.421 68 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.216 68 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.216 68 G C 1.460 176.397 174.900 0.062 0.000 1.171 68 G CA 0.949 46.074 45.100 0.040 0.000 0.775 68 G HN 0.516 nan 8.290 nan 0.000 0.543 69 L N 0.122 121.384 121.223 0.064 0.000 2.042 69 L HA -0.098 4.241 4.340 -0.000 0.000 0.210 69 L C 2.905 179.830 176.870 0.090 0.000 1.076 69 L CA 1.398 56.288 54.840 0.084 0.000 0.749 69 L CB -0.438 41.664 42.059 0.071 0.000 0.893 69 L HN 0.307 nan 8.230 nan 0.000 0.432 70 E N 0.210 120.451 120.200 0.068 0.000 2.153 70 E HA -0.236 4.113 4.350 -0.000 0.000 0.194 70 E C 2.517 179.161 176.600 0.074 0.000 0.988 70 E CA 1.480 57.919 56.400 0.065 0.000 0.811 70 E CB -0.106 29.621 29.700 0.045 0.000 0.746 70 E HN 0.522 nan 8.360 nan 0.000 0.466 71 K N 1.267 121.708 120.400 0.068 0.000 2.025 71 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 71 K C 1.826 178.482 176.600 0.094 0.000 1.049 71 K CA 1.397 57.721 56.287 0.061 0.000 0.933 71 K CB -0.994 31.530 32.500 0.040 0.000 0.714 71 K HN 0.081 nan 8.250 nan 0.000 0.438 72 I N 0.750 121.401 120.570 0.135 0.000 2.226 72 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 72 I C 2.876 179.170 176.117 0.295 0.000 1.100 72 I CA 1.549 62.986 61.300 0.227 0.000 1.374 72 I CB -0.297 37.878 38.000 0.292 0.000 1.057 72 I HN 0.446 nan 8.210 nan 0.000 0.413 73 S N 0.691 116.533 115.700 0.237 0.000 2.365 73 S HA -0.284 4.186 4.470 -0.000 0.000 0.225 73 S C 2.002 176.726 174.600 0.206 0.000 1.039 73 S CA 2.112 60.448 58.200 0.226 0.000 1.033 73 S CB -0.202 63.075 63.200 0.129 0.000 0.887 73 S HN 0.403 nan 8.310 nan 0.000 0.447 74 E N 0.963 121.246 120.200 0.138 0.000 2.110 74 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 74 E C 2.023 178.687 176.600 0.106 0.000 0.988 74 E CA 1.591 58.052 56.400 0.103 0.000 0.804 74 E CB -0.294 29.446 29.700 0.065 0.000 0.745 74 E HN 0.674 nan 8.360 nan 0.000 0.458 75 E N -1.029 119.230 120.200 0.098 0.000 2.085 75 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 75 E C 1.921 178.560 176.600 0.065 0.000 0.994 75 E CA 1.273 57.696 56.400 0.038 0.000 0.801 75 E CB -0.291 29.401 29.700 -0.014 0.000 0.743 75 E HN 0.432 nan 8.360 nan 0.000 0.453 76 W N 0.883 122.261 121.300 0.130 0.000 2.379 76 W HA -0.125 4.535 4.660 -0.000 0.000 0.307 76 W C 2.798 179.337 176.519 0.033 0.000 1.200 76 W CA 0.891 58.268 57.345 0.053 0.000 1.297 76 W CB -0.256 29.168 29.460 -0.060 0.000 1.140 76 W HN -0.049 nan 8.180 nan 0.000 0.507 77 S N 0.449 116.307 115.700 0.264 0.000 2.374 77 S HA -0.223 4.247 4.470 -0.000 0.000 0.227 77 S C 1.455 176.123 174.600 0.114 0.000 1.037 77 S CA 1.623 59.915 58.200 0.153 0.000 1.024 77 S CB -0.451 62.816 63.200 0.112 0.000 0.861 77 S HN 0.303 nan 8.310 nan 0.000 0.456 78 K N 0.420 120.879 120.400 0.098 0.000 2.459 78 K HA 0.173 4.493 4.320 -0.000 0.000 0.193 78 K C 1.129 177.766 176.600 0.062 0.000 1.030 78 K CA 0.442 56.767 56.287 0.063 0.000 1.026 78 K CB -0.072 32.453 32.500 0.040 0.000 0.809 78 K HN 0.440 nan 8.250 nan 0.000 0.504 79 G N 1.548 110.404 108.800 0.093 0.000 2.198 79 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.257 79 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.257 79 G C 0.566 175.486 174.900 0.033 0.000 1.042 79 G CA 0.411 45.564 45.100 0.088 0.000 0.791 79 G HN 0.278 nan 8.290 nan 0.000 0.502 80 V N -3.482 116.430 119.914 -0.003 0.000 3.605 80 V HA 0.595 4.714 4.120 -0.000 0.000 0.284 80 V C 1.280 177.289 176.094 -0.142 0.000 1.386 80 V CA 0.091 62.356 62.300 -0.058 0.000 1.053 80 V CB -0.450 31.338 31.823 -0.058 0.000 0.857 80 V HN 0.615 nan 8.190 nan 0.000 0.436 81 F N 2.003 121.720 119.950 -0.387 0.000 2.629 81 F HA 0.347 4.874 4.527 -0.000 0.000 0.377 81 F C 0.245 175.757 175.800 -0.481 0.000 1.101 81 F CA 0.560 58.166 58.000 -0.655 0.000 1.301 81 F CB 0.830 38.885 39.000 -1.575 0.000 1.062 81 F HN -0.061 nan 8.300 nan 0.000 0.583 82 V N 7.665 127.034 119.914 -0.908 0.000 2.311 82 V HA 0.206 4.325 4.120 -0.000 0.000 0.275 82 V C -0.327 175.553 176.094 -0.356 0.000 1.022 82 V CA -0.802 61.213 62.300 -0.474 0.000 0.830 82 V CB 0.930 32.515 31.823 -0.396 0.000 1.012 82 V HN 0.569 nan 8.190 nan 0.000 0.452 83 V N 6.136 126.067 119.914 0.028 0.000 2.583 83 V HA 0.295 4.414 4.120 -0.000 0.000 0.287 83 V C 0.435 176.561 176.094 0.053 0.000 1.051 83 V CA -0.340 62.071 62.300 0.185 0.000 1.010 83 V CB 1.172 33.137 31.823 0.235 0.000 0.988 83 V HN 0.787 nan 8.190 nan 0.000 0.478 84 K N 2.836 123.269 120.400 0.056 0.000 2.185 84 K HA 0.539 4.858 4.320 -0.000 0.000 0.240 84 K C 1.251 177.870 176.600 0.032 0.000 0.983 84 K CA -0.137 56.161 56.287 0.017 0.000 0.873 84 K CB 1.267 33.763 32.500 -0.006 0.000 1.118 84 K HN 0.608 nan 8.250 nan 0.000 0.441 85 Q N 0.366 120.176 119.800 0.017 0.000 2.181 85 Q HA -0.177 4.163 4.340 -0.000 0.000 0.205 85 Q C 1.823 177.836 176.000 0.021 0.000 0.980 85 Q CA 2.576 58.390 55.803 0.018 0.000 0.862 85 Q CB -0.983 nan 28.738 nan 0.000 0.905 85 Q HN 0.765 nan 8.270 nan 0.000 0.429 86 S N -0.027 115.686 115.700 0.023 0.000 2.489 86 S HA -0.015 4.455 4.470 -0.000 0.000 0.228 86 S C 0.230 174.850 174.600 0.034 0.000 0.995 86 S CA 0.255 58.471 58.200 0.025 0.000 0.934 86 S CB -0.074 63.140 63.200 0.024 0.000 0.771 86 S HN 0.627 nan 8.310 nan 0.000 0.522 87 D N 3.330 123.758 120.400 0.047 0.000 2.363 87 D HA 0.059 4.698 4.640 -0.000 0.000 0.263 87 D C 1.241 177.558 176.300 0.028 0.000 1.258 87 D CA 0.130 54.164 54.000 0.057 0.000 0.907 87 D CB 0.777 41.635 40.800 0.097 0.000 1.107 87 D HN 0.630 nan 8.370 nan 0.000 0.495 88 E N 1.689 121.900 120.200 0.018 0.000 2.340 88 E HA -0.051 4.298 4.350 -0.000 0.000 0.194 88 E C -0.065 176.510 176.600 -0.042 0.000 0.996 88 E CA 0.326 56.723 56.400 -0.004 0.000 0.869 88 E CB 0.210 29.915 29.700 0.009 0.000 0.835 88 E HN 0.533 nan 8.360 nan 0.000 0.493 89 D N -1.003 119.370 120.400 -0.044 0.000 2.665 89 D HA 0.110 4.749 4.640 -0.000 0.000 0.287 89 D C 0.487 176.684 176.300 -0.172 0.000 1.266 89 D CA -0.805 53.120 54.000 -0.126 0.000 0.830 89 D CB 0.232 40.989 40.800 -0.072 0.000 1.356 89 D HN -0.129 nan 8.370 nan 0.000 0.437 90 I N 0.318 120.665 120.570 -0.371 0.000 2.286 90 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 90 I C 1.598 177.527 176.117 -0.314 0.000 1.115 90 I CA 1.734 62.798 61.300 -0.393 0.000 1.392 90 I CB -0.511 37.152 38.000 -0.561 0.000 1.065 90 I HN 0.421 nan 8.210 nan 0.000 0.418 91 H N -0.588 118.472 119.070 -0.017 0.000 2.357 91 H HA -0.061 4.495 4.556 -0.000 0.000 0.301 91 H C 2.149 177.514 175.328 0.063 0.000 1.082 91 H CA 1.898 57.956 56.048 0.016 0.000 1.342 91 H CB -1.209 28.557 29.762 0.008 0.000 1.389 91 H HN 0.307 nan 8.280 nan 0.000 0.511 92 T N 1.161 115.798 114.554 0.138 0.000 2.821 92 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 92 T C 2.366 177.151 174.700 0.141 0.000 1.046 92 T CA 1.084 63.261 62.100 0.127 0.000 1.139 92 T CB -0.303 68.618 68.868 0.088 0.000 0.871 92 T HN 0.465 nan 8.240 nan 0.000 0.454 93 A N 2.401 125.306 122.820 0.143 0.000 1.877 93 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 93 A C 2.263 180.055 177.584 0.347 0.000 1.186 93 A CA 1.433 53.626 52.037 0.259 0.000 0.620 93 A CB -0.601 18.575 19.000 0.293 0.000 0.822 93 A HN 0.352 nan 8.150 nan 0.000 0.443 94 N N -0.070 118.780 118.700 0.250 0.000 2.244 94 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 94 N C 1.621 177.263 175.510 0.219 0.000 1.016 94 N CA 1.448 54.660 53.050 0.271 0.000 0.866 94 N CB -0.338 38.252 38.487 0.171 0.000 0.980 94 N HN 0.677 nan 8.380 nan 0.000 0.430 95 E N 0.408 120.715 120.200 0.179 0.000 2.106 95 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 95 E C 2.031 178.709 176.600 0.129 0.000 0.984 95 E CA 0.489 56.975 56.400 0.144 0.000 0.806 95 E CB 0.049 29.854 29.700 0.175 0.000 0.750 95 E HN 0.287 nan 8.360 nan 0.000 0.458 96 R N 1.094 121.678 120.500 0.140 0.000 2.073 96 R HA -0.163 4.177 4.340 -0.000 0.000 0.234 96 R C 2.356 178.706 176.300 0.083 0.000 1.134 96 R CA 1.457 57.618 56.100 0.102 0.000 0.952 96 R CB -0.036 30.323 30.300 0.099 0.000 0.850 96 R HN -0.089 nan 8.270 nan 0.000 0.433 97 R N 0.858 121.434 120.500 0.126 0.000 2.081 97 R HA -0.117 4.222 4.340 -0.000 0.000 0.235 97 R C 2.157 178.500 176.300 0.071 0.000 1.131 97 R CA 1.421 57.567 56.100 0.077 0.000 0.960 97 R CB -0.933 29.476 30.300 0.182 0.000 0.856 97 R HN 0.359 nan 8.270 nan 0.000 0.436 98 L N 0.831 122.116 121.223 0.102 0.000 2.056 98 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 98 L C 2.151 179.047 176.870 0.042 0.000 1.078 98 L CA 1.956 56.839 54.840 0.071 0.000 0.749 98 L CB -0.580 41.521 42.059 0.071 0.000 0.901 98 L HN 0.214 nan 8.230 nan 0.000 0.433 99 K N -0.458 119.968 120.400 0.044 0.000 2.057 99 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 99 K C 1.958 178.569 176.600 0.018 0.000 1.049 99 K CA 1.819 58.125 56.287 0.031 0.000 0.931 99 K CB -0.111 32.413 32.500 0.040 0.000 0.714 99 K HN 0.456 nan 8.250 nan 0.000 0.440 100 E N 0.463 120.670 120.200 0.011 0.000 2.085 100 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 100 E C 2.044 178.638 176.600 -0.010 0.000 0.994 100 E CA 1.361 57.755 56.400 -0.009 0.000 0.801 100 E CB -0.033 29.648 29.700 -0.032 0.000 0.743 100 E HN 0.314 nan 8.360 nan 0.000 0.453 101 L N 0.292 121.514 121.223 -0.003 0.000 2.095 101 L HA -0.044 4.296 4.340 -0.000 0.000 0.204 101 L C 2.456 179.328 176.870 0.003 0.000 1.080 101 L CA 0.934 55.773 54.840 -0.002 0.000 0.759 101 L CB -0.211 41.853 42.059 0.008 0.000 0.914 101 L HN 0.254 nan 8.230 nan 0.000 0.439 102 I N -4.324 116.252 120.570 0.010 0.000 4.227 102 I HA 0.507 4.676 4.170 -0.000 0.000 0.334 102 I C 0.916 177.038 176.117 0.008 0.000 1.341 102 I CA 0.159 61.465 61.300 0.009 0.000 1.123 102 I CB 0.428 38.435 38.000 0.012 0.000 1.097 102 I HN 0.186 nan 8.210 nan 0.000 0.399 103 G N 2.121 110.927 108.800 0.010 0.000 2.615 103 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 103 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 103 G C 0.034 174.943 174.900 0.015 0.000 1.339 103 G CA 0.199 45.305 45.100 0.011 0.000 0.884 103 G HN 0.240 nan 8.290 nan 0.000 0.559 104 D N 0.003 120.412 120.400 0.015 0.000 2.228 104 D HA -0.128 4.512 4.640 -0.000 0.000 0.203 104 D C 2.654 178.964 176.300 0.018 0.000 0.988 104 D CA 1.369 55.381 54.000 0.020 0.000 0.864 104 D CB -0.058 40.753 40.800 0.019 0.000 0.928 104 D HN 0.359 nan 8.370 nan 0.000 0.469 105 I N 1.494 122.071 120.570 0.012 0.000 2.315 105 I HA -0.259 3.911 4.170 -0.000 0.000 0.251 105 I C 2.593 178.711 176.117 0.002 0.000 1.125 105 I CA 0.603 61.908 61.300 0.008 0.000 1.392 105 I CB -1.324 36.680 38.000 0.006 0.000 1.065 105 I HN -0.104 nan 8.210 nan 0.000 0.424 106 A N 1.153 123.974 122.820 0.001 0.000 1.948 106 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 106 A C 2.542 180.091 177.584 -0.058 0.000 1.177 106 A CA 1.989 54.016 52.037 -0.017 0.000 0.636 106 A CB -1.351 17.649 19.000 0.000 0.000 0.815 106 A HN 0.446 nan 8.150 nan 0.000 0.449 107 G N -0.297 108.493 108.800 -0.015 0.000 2.450 107 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 107 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 107 G C 1.541 176.438 174.900 -0.006 0.000 1.130 107 G CA 1.016 46.122 45.100 0.011 0.000 0.760 107 G HN 0.630 nan 8.290 nan 0.000 0.557 108 K N -0.425 119.976 120.400 0.002 0.000 2.281 108 K HA -0.008 4.312 4.320 -0.000 0.000 0.203 108 K C 2.122 178.737 176.600 0.025 0.000 1.046 108 K CA 0.298 56.600 56.287 0.024 0.000 0.938 108 K CB -0.173 32.338 32.500 0.018 0.000 0.737 108 K HN 0.197 nan 8.250 nan 0.000 0.458 109 L N 0.893 122.085 121.223 -0.051 0.000 2.265 109 L HA -0.154 4.185 4.340 -0.000 0.000 0.215 109 L C 1.911 178.785 176.870 0.008 0.000 1.117 109 L CA 1.676 56.507 54.840 -0.015 0.000 0.782 109 L CB -0.597 41.398 42.059 -0.107 0.000 0.914 109 L HN 0.273 nan 8.230 nan 0.000 0.441 110 H N -1.509 117.610 119.070 0.081 0.000 2.529 110 H HA 0.121 4.677 4.556 -0.000 0.000 0.277 110 H C 0.393 175.759 175.328 0.064 0.000 0.999 110 H CA 0.376 56.440 56.048 0.026 0.000 1.256 110 H CB -0.628 29.137 29.762 0.005 0.000 1.402 110 H HN 0.202 nan 8.280 nan 0.000 0.566 111 T N 0.909 115.592 114.554 0.214 0.000 2.750 111 T HA 0.161 4.511 4.350 -0.000 0.000 0.277 111 T C 1.391 176.228 174.700 0.228 0.000 0.996 111 T CA 0.934 63.140 62.100 0.177 0.000 1.195 111 T CB 0.023 68.967 68.868 0.126 0.000 0.963 111 T HN 0.644 nan 8.240 nan 0.000 0.516 112 G N 3.059 111.947 108.800 0.146 0.000 2.189 112 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.267 112 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.267 112 G C 0.227 175.194 174.900 0.112 0.000 0.975 112 G CA 0.506 45.691 45.100 0.141 0.000 0.644 112 G HN 0.846 nan 8.290 nan 0.000 0.537 113 R N 0.211 120.731 120.500 0.032 0.000 2.604 113 R HA 0.667 5.007 4.340 -0.000 0.000 0.287 113 R C -0.208 176.015 176.300 -0.128 0.000 0.970 113 R CA 0.220 56.207 56.100 -0.189 0.000 0.946 113 R CB 1.381 31.340 30.300 -0.569 0.000 1.127 113 R HN 0.273 nan 8.270 nan 0.000 0.473 114 S N 1.174 116.774 115.700 -0.166 0.000 2.600 114 S HA 0.340 4.809 4.470 -0.000 0.000 0.300 114 S C 0.711 175.187 174.600 -0.206 0.000 1.087 114 S CA -0.825 57.276 58.200 -0.165 0.000 0.965 114 S CB 1.699 64.806 63.200 -0.156 0.000 1.089 114 S HN 0.702 nan 8.310 nan 0.000 0.496 115 R N 1.876 122.239 120.500 -0.228 0.000 2.152 115 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 115 R C 1.229 177.349 176.300 -0.299 0.000 1.117 115 R CA 1.083 57.023 56.100 -0.267 0.000 0.981 115 R CB -1.012 29.136 30.300 -0.254 0.000 0.870 115 R HN 0.629 nan 8.270 nan 0.000 0.451 116 N N 1.310 119.805 118.700 -0.341 0.000 2.069 116 N HA -0.170 4.570 4.740 -0.000 0.000 0.191 116 N C 1.233 176.638 175.510 -0.175 0.000 1.031 116 N CA 1.853 54.691 53.050 -0.354 0.000 0.852 116 N CB -0.325 37.945 38.487 -0.361 0.000 1.018 116 N HN 0.427 nan 8.380 nan 0.000 0.423 117 D N -0.363 119.941 120.400 -0.160 0.000 2.327 117 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 117 D C 1.657 177.876 176.300 -0.135 0.000 0.989 117 D CA 0.325 54.252 54.000 -0.121 0.000 0.873 117 D CB -0.461 40.272 40.800 -0.110 0.000 0.955 117 D HN 0.326 nan 8.370 nan 0.000 0.515 118 Q N 0.967 120.658 119.800 -0.181 0.000 2.046 118 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 118 Q C 2.044 177.947 176.000 -0.160 0.000 0.975 118 Q CA 1.332 57.024 55.803 -0.184 0.000 0.836 118 Q CB 0.191 28.790 28.738 -0.232 0.000 0.896 118 Q HN 0.122 nan 8.270 nan 0.000 0.428 119 V N 0.328 120.114 119.914 -0.213 0.000 2.427 119 V HA -0.182 3.937 4.120 -0.000 0.000 0.248 119 V C 2.233 178.332 176.094 0.008 0.000 1.051 119 V CA 1.419 63.627 62.300 -0.153 0.000 1.048 119 V CB -0.246 31.471 31.823 -0.177 0.000 0.666 119 V HN 0.329 nan 8.190 nan 0.000 0.456 120 V N -0.271 119.652 119.914 0.015 0.000 2.667 120 V HA -0.203 3.917 4.120 -0.000 0.000 0.252 120 V C 2.414 178.512 176.094 0.008 0.000 1.065 120 V CA 2.578 64.923 62.300 0.076 0.000 1.083 120 V CB -0.149 31.728 31.823 0.090 0.000 0.692 120 V HN 0.664 nan 8.190 nan 0.000 0.468 121 T N -0.066 114.480 114.554 -0.014 0.000 2.737 121 T HA -0.136 4.213 4.350 -0.000 0.000 0.265 121 T C 1.559 176.330 174.700 0.118 0.000 1.038 121 T CA 1.647 63.759 62.100 0.021 0.000 1.144 121 T CB -0.332 68.544 68.868 0.014 0.000 0.866 121 T HN 0.525 nan 8.240 nan 0.000 0.434 122 D N 1.063 121.524 120.400 0.101 0.000 2.104 122 D HA -0.063 4.577 4.640 -0.000 0.000 0.194 122 D C 2.008 178.428 176.300 0.200 0.000 0.994 122 D CA 0.672 54.759 54.000 0.145 0.000 0.830 122 D CB -0.522 40.376 40.800 0.164 0.000 0.959 122 D HN 0.150 nan 8.370 nan 0.000 0.452 123 L N 1.112 122.456 121.223 0.201 0.000 2.046 123 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 123 L C 1.905 178.942 176.870 0.278 0.000 1.077 123 L CA 1.753 56.762 54.840 0.281 0.000 0.747 123 L CB -0.262 41.976 42.059 0.298 0.000 0.896 123 L HN -0.093 nan 8.230 nan 0.000 0.432 124 K N -0.903 119.566 120.400 0.115 0.000 2.057 124 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 124 K C 2.095 178.759 176.600 0.107 0.000 1.050 124 K CA 1.482 57.781 56.287 0.020 0.000 0.935 124 K CB -0.307 32.123 32.500 -0.116 0.000 0.715 124 K HN 0.312 nan 8.250 nan 0.000 0.439 125 L N 0.148 121.461 121.223 0.149 0.000 2.046 125 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 125 L C 2.429 179.309 176.870 0.016 0.000 1.077 125 L CA 1.160 55.999 54.840 -0.002 0.000 0.747 125 L CB -0.439 41.624 42.059 0.006 0.000 0.896 125 L HN 0.123 nan 8.230 nan 0.000 0.432 126 F N 0.457 120.408 119.950 0.003 0.000 2.102 126 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 126 F C 2.429 178.225 175.800 -0.007 0.000 1.105 126 F CA 1.639 59.646 58.000 0.012 0.000 1.239 126 F CB -0.198 38.858 39.000 0.094 0.000 0.991 126 F HN -0.061 nan 8.300 nan 0.000 0.474 127 M N 0.131 119.675 119.600 -0.093 0.000 2.175 127 M HA -0.192 4.287 4.480 -0.000 0.000 0.264 127 M C 2.321 178.453 176.300 -0.280 0.000 1.063 127 M CA 1.761 56.895 55.300 -0.277 0.000 1.119 127 M CB -0.457 32.092 32.600 -0.085 0.000 1.377 127 M HN 0.134 nan 8.290 nan 0.000 0.415 128 K N 0.525 120.817 120.400 -0.180 0.000 2.057 128 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 128 K C 1.581 178.060 176.600 -0.201 0.000 1.049 128 K CA 1.579 57.767 56.287 -0.166 0.000 0.931 128 K CB 0.019 32.417 32.500 -0.170 0.000 0.714 128 K HN 0.271 nan 8.250 nan 0.000 0.440 129 N N 0.309 118.864 118.700 -0.243 0.000 2.188 129 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 129 N C 1.790 177.140 175.510 -0.266 0.000 1.018 129 N CA 1.328 54.239 53.050 -0.231 0.000 0.858 129 N CB -0.282 38.078 38.487 -0.212 0.000 0.989 129 N HN 0.125 nan 8.380 nan 0.000 0.426 130 S N 0.940 116.387 115.700 -0.422 0.000 2.368 130 S HA -0.007 4.463 4.470 -0.000 0.000 0.224 130 S C 1.894 176.401 174.600 -0.155 0.000 1.029 130 S CA 0.551 58.537 58.200 -0.357 0.000 0.988 130 S CB -0.148 62.708 63.200 -0.575 0.000 0.838 130 S HN 0.113 nan 8.310 nan 0.000 0.462 131 L N 1.591 122.720 121.223 -0.155 0.000 2.131 131 L HA -0.008 4.332 4.340 -0.000 0.000 0.210 131 L C 2.569 179.401 176.870 -0.064 0.000 1.092 131 L CA 1.285 56.089 54.840 -0.060 0.000 0.759 131 L CB -1.087 40.919 42.059 -0.088 0.000 0.903 131 L HN 0.309 nan 8.230 nan 0.000 0.435 132 S N -0.606 115.034 115.700 -0.100 0.000 2.368 132 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 132 S C 2.069 176.612 174.600 -0.095 0.000 1.029 132 S CA 1.129 59.273 58.200 -0.094 0.000 0.988 132 S CB -0.178 62.958 63.200 -0.106 0.000 0.838 132 S HN 0.375 nan 8.310 nan 0.000 0.462 133 I N 0.900 121.412 120.570 -0.097 0.000 2.252 133 I HA -0.110 4.060 4.170 -0.000 0.000 0.245 133 I C 2.153 178.219 176.117 -0.086 0.000 1.102 133 I CA 1.057 62.283 61.300 -0.123 0.000 1.385 133 I CB -0.295 37.671 38.000 -0.056 0.000 1.064 133 I HN 0.329 nan 8.210 nan 0.000 0.414 134 I N -0.110 120.494 120.570 0.057 0.000 2.226 134 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 134 I C 2.787 178.980 176.117 0.127 0.000 1.100 134 I CA 1.314 62.725 61.300 0.184 0.000 1.374 134 I CB -0.323 37.843 38.000 0.277 0.000 1.057 134 I HN 0.207 nan 8.210 nan 0.000 0.413 135 S N 0.223 115.950 115.700 0.045 0.000 2.370 135 S HA -0.227 4.243 4.470 -0.000 0.000 0.226 135 S C 2.084 176.680 174.600 -0.008 0.000 1.033 135 S CA 2.407 60.618 58.200 0.018 0.000 1.011 135 S CB -0.378 62.805 63.200 -0.028 0.000 0.852 135 S HN 0.435 nan 8.310 nan 0.000 0.457 136 T N 1.425 115.924 114.554 -0.090 0.000 2.708 136 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 136 T C 1.642 176.293 174.700 -0.081 0.000 1.037 136 T CA 1.627 63.645 62.100 -0.137 0.000 1.146 136 T CB -0.590 68.120 68.868 -0.264 0.000 0.865 136 T HN 0.543 nan 8.240 nan 0.000 0.435 137 H N 0.493 119.585 119.070 0.038 0.000 2.423 137 H HA 0.130 4.685 4.556 -0.000 0.000 0.297 137 H C 2.350 177.702 175.328 0.040 0.000 1.075 137 H CA 0.635 56.706 56.048 0.039 0.000 1.342 137 H CB -0.567 29.223 29.762 0.048 0.000 1.395 137 H HN 0.244 nan 8.280 nan 0.000 0.530 138 L N 0.360 121.686 121.223 0.171 0.000 2.027 138 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 138 L C 2.277 179.194 176.870 0.078 0.000 1.074 138 L CA 0.834 55.750 54.840 0.127 0.000 0.745 138 L CB -0.246 41.907 42.059 0.157 0.000 0.898 138 L HN 0.195 nan 8.230 nan 0.000 0.433 139 L N -0.554 120.704 121.223 0.059 0.000 2.141 139 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 139 L C 2.558 179.446 176.870 0.031 0.000 1.094 139 L CA 0.943 55.802 54.840 0.033 0.000 0.763 139 L CB -0.384 41.684 42.059 0.015 0.000 0.908 139 L HN 0.347 nan 8.230 nan 0.000 0.437 140 Q N 0.479 120.306 119.800 0.046 0.000 2.119 140 Q HA -0.195 4.144 4.340 -0.000 0.000 0.201 140 Q C 2.126 178.147 176.000 0.035 0.000 0.972 140 Q CA 1.605 57.437 55.803 0.047 0.000 0.847 140 Q CB -0.313 28.473 28.738 0.080 0.000 0.903 140 Q HN 0.467 nan 8.270 nan 0.000 0.433 141 L N -0.385 120.861 121.223 0.038 0.000 2.017 141 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 141 L C 2.143 179.009 176.870 -0.006 0.000 1.073 141 L CA 1.417 56.262 54.840 0.008 0.000 0.745 141 L CB -0.267 41.796 42.059 0.007 0.000 0.894 141 L HN 0.356 nan 8.230 nan 0.000 0.432 142 I N -0.091 120.480 120.570 0.002 0.000 2.179 142 I HA -0.357 3.813 4.170 -0.000 0.000 0.242 142 I C 2.632 178.742 176.117 -0.013 0.000 1.088 142 I CA 1.412 62.705 61.300 -0.011 0.000 1.357 142 I CB -0.407 37.591 38.000 -0.003 0.000 1.051 142 I HN 0.280 nan 8.210 nan 0.000 0.409 143 K N 0.735 121.134 120.400 -0.001 0.000 2.103 143 K HA -0.183 4.136 4.320 -0.000 0.000 0.207 143 K C 2.046 178.647 176.600 0.001 0.000 1.048 143 K CA 1.937 58.225 56.287 0.001 0.000 0.930 143 K CB -0.094 32.411 32.500 0.009 0.000 0.716 143 K HN 0.238 nan 8.250 nan 0.000 0.444 144 T N 1.732 116.288 114.554 0.002 0.000 2.788 144 T HA -0.106 4.243 4.350 -0.000 0.000 0.268 144 T C 1.780 176.477 174.700 -0.005 0.000 1.044 144 T CA 1.235 63.337 62.100 0.004 0.000 1.139 144 T CB -0.067 68.801 68.868 -0.000 0.000 0.867 144 T HN 0.164 nan 8.240 nan 0.000 0.454 145 L N 0.451 121.659 121.223 -0.025 0.000 2.072 145 L HA -0.037 4.302 4.340 -0.000 0.000 0.205 145 L C 2.632 179.474 176.870 -0.047 0.000 1.079 145 L CA 0.728 55.539 54.840 -0.049 0.000 0.752 145 L CB -0.501 41.513 42.059 -0.076 0.000 0.906 145 L HN 0.128 nan 8.230 nan 0.000 0.436 146 V N -0.512 119.381 119.914 -0.035 0.000 2.358 146 V HA -0.215 3.904 4.120 -0.000 0.000 0.246 146 V C 2.491 178.579 176.094 -0.010 0.000 1.047 146 V CA 1.536 63.819 62.300 -0.029 0.000 1.035 146 V CB -0.455 31.355 31.823 -0.022 0.000 0.658 146 V HN 0.418 nan 8.190 nan 0.000 0.452 147 E N 0.111 120.313 120.200 0.002 0.000 2.106 147 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 147 E C 2.295 178.914 176.600 0.031 0.000 0.984 147 E CA 1.013 57.424 56.400 0.017 0.000 0.806 147 E CB -0.286 29.427 29.700 0.022 0.000 0.750 147 E HN 0.543 nan 8.360 nan 0.000 0.458 148 R N 0.765 121.285 120.500 0.034 0.000 2.092 148 R HA -0.035 4.305 4.340 -0.000 0.000 0.231 148 R C 2.196 178.535 176.300 0.066 0.000 1.119 148 R CA 1.196 57.337 56.100 0.068 0.000 0.970 148 R CB -0.113 30.239 30.300 0.087 0.000 0.864 148 R HN 0.118 nan 8.270 nan 0.000 0.440 149 A N 0.738 123.564 122.820 0.009 0.000 1.902 149 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 149 A C 2.348 179.952 177.584 0.033 0.000 1.181 149 A CA 1.606 53.638 52.037 -0.008 0.000 0.623 149 A CB -0.796 18.171 19.000 -0.055 0.000 0.818 149 A HN 0.526 nan 8.150 nan 0.000 0.443 150 A N 0.091 122.928 122.820 0.029 0.000 1.877 150 A HA -0.109 4.210 4.320 -0.000 0.000 0.216 150 A C 2.125 179.741 177.584 0.053 0.000 1.186 150 A CA 1.619 53.677 52.037 0.035 0.000 0.620 150 A CB -0.646 18.369 19.000 0.026 0.000 0.822 150 A HN 0.501 nan 8.150 nan 0.000 0.443 151 I N -0.534 120.074 120.570 0.063 0.000 2.226 151 I HA -0.202 3.967 4.170 -0.000 0.000 0.245 151 I C 1.531 177.705 176.117 0.095 0.000 1.100 151 I CA 1.383 62.727 61.300 0.073 0.000 1.374 151 I CB -0.301 37.744 38.000 0.075 0.000 1.057 151 I HN 0.372 nan 8.210 nan 0.000 0.413 152 E N 0.596 120.878 120.200 0.137 0.000 2.370 152 E HA 0.103 4.452 4.350 -0.000 0.000 0.194 152 E C 1.654 178.367 176.600 0.187 0.000 1.057 152 E CA -0.166 56.347 56.400 0.188 0.000 1.011 152 E CB 0.250 30.150 29.700 0.332 0.000 1.132 152 E HN 0.469 nan 8.360 nan 0.000 0.450 153 I N 1.067 121.710 120.570 0.122 0.000 2.657 153 I HA -0.248 3.922 4.170 -0.000 0.000 0.261 153 I C 0.861 177.037 176.117 0.098 0.000 1.212 153 I CA 1.233 62.593 61.300 0.101 0.000 1.453 153 I CB 0.303 38.343 38.000 0.067 0.000 1.092 153 I HN 0.036 nan 8.210 nan 0.000 0.452 154 D N 0.128 120.582 120.400 0.091 0.000 2.348 154 D HA 0.086 4.726 4.640 -0.000 0.000 0.211 154 D C 0.606 176.949 176.300 0.071 0.000 0.998 154 D CA 0.302 54.346 54.000 0.073 0.000 0.873 154 D CB 0.168 41.001 40.800 0.055 0.000 0.925 154 D HN 0.097 nan 8.370 nan 0.000 0.524 155 V N 2.062 122.032 119.914 0.094 0.000 2.572 155 V HA 0.107 4.227 4.120 -0.000 0.000 0.291 155 V C 0.609 176.744 176.094 0.068 0.000 1.039 155 V CA 0.074 62.408 62.300 0.057 0.000 1.055 155 V CB 1.068 32.919 31.823 0.047 0.000 0.969 155 V HN -0.041 nan 8.190 nan 0.000 0.482 156 I N 6.177 126.738 120.570 -0.016 0.000 2.569 156 I HA 0.683 4.853 4.170 -0.000 0.000 0.296 156 I C -0.326 175.689 176.117 -0.169 0.000 1.028 156 I CA -0.547 60.731 61.300 -0.037 0.000 1.082 156 I CB 1.830 39.825 38.000 -0.009 0.000 1.264 156 I HN 0.593 nan 8.210 nan 0.000 0.429 157 L N 4.141 125.249 121.223 -0.191 0.000 2.654 157 L HA 0.780 5.120 4.340 -0.000 0.000 0.257 157 L C -3.051 173.652 176.870 -0.279 0.000 1.093 157 L CA -2.116 52.508 54.840 -0.361 0.000 0.903 157 L CB 1.993 43.705 42.059 -0.578 0.000 1.520 157 L HN 0.142 nan 8.230 nan 0.000 0.402 158 P HA 0.280 nan 4.420 nan 0.000 0.275 158 P C -0.570 176.573 177.300 -0.263 0.000 1.227 158 P CA 0.089 62.992 63.100 -0.327 0.000 0.781 158 P CB 1.062 32.483 31.700 -0.465 0.000 0.906 159 G N 2.099 110.770 108.800 -0.215 0.000 2.356 159 G HA2 0.459 4.418 3.960 -0.000 0.000 0.298 159 G HA3 0.459 4.418 3.960 -0.000 0.000 0.298 159 G C -1.433 173.382 174.900 -0.143 0.000 1.145 159 G CA -0.147 44.929 45.100 -0.039 0.000 0.850 159 G HN 0.318 nan 8.290 nan 0.000 0.487 160 Y N 0.389 120.781 120.300 0.154 0.000 2.387 160 Y HA 0.467 5.016 4.550 -0.000 0.000 0.336 160 Y C -0.145 175.819 175.900 0.106 0.000 1.067 160 Y CA -0.741 57.458 58.100 0.165 0.000 1.114 160 Y CB 2.674 41.286 38.460 0.252 0.000 1.208 160 Y HN 0.454 nan 8.280 nan 0.000 0.458 161 D N 1.454 121.992 120.400 0.229 0.000 2.686 161 D HA 0.311 4.951 4.640 -0.000 0.000 0.249 161 D C -0.717 175.669 176.300 0.144 0.000 1.260 161 D CA -0.177 53.867 54.000 0.074 0.000 0.910 161 D CB 0.323 41.177 40.800 0.091 0.000 1.323 161 D HN 0.651 nan 8.370 nan 0.000 0.561 162 H N 3.147 122.309 119.070 0.153 0.000 2.899 162 H HA -0.188 4.368 4.556 -0.000 0.000 0.282 162 H C 0.623 176.054 175.328 0.172 0.000 1.198 162 H CA 0.515 56.641 56.048 0.131 0.000 1.140 162 H CB -1.018 28.807 29.762 0.105 0.000 1.317 162 H HN 0.514 nan 8.280 nan 0.000 0.375 163 L N -1.107 120.291 121.223 0.291 0.000 3.843 163 L HA -0.262 4.078 4.340 -0.000 0.000 0.411 163 L C -0.096 177.055 176.870 0.469 0.000 1.205 163 L CA 1.510 56.555 54.840 0.342 0.000 0.945 163 L CB -0.444 41.739 42.059 0.206 0.000 1.929 163 L HN 0.424 nan 8.230 nan 0.000 0.934 164 Q N 0.251 120.327 119.800 0.460 0.000 2.353 164 Q HA 0.396 4.736 4.340 -0.000 0.000 0.268 164 Q C 0.007 176.136 176.000 0.214 0.000 1.045 164 Q CA -0.772 55.232 55.803 0.335 0.000 0.811 164 Q CB 1.827 30.698 28.738 0.221 0.000 1.305 164 Q HN 0.237 nan 8.270 nan 0.000 0.447 165 K N 0.949 121.370 120.400 0.035 0.000 2.472 165 K HA 0.117 4.437 4.320 -0.000 0.000 0.280 165 K C 0.329 176.862 176.600 -0.112 0.000 1.028 165 K CA 0.325 56.452 56.287 -0.266 0.000 1.045 165 K CB 0.564 32.954 32.500 -0.183 0.000 0.902 165 K HN 0.697 nan 8.250 nan 0.000 0.478 166 A N 3.774 126.508 122.820 -0.143 0.000 2.042 166 A HA 0.030 4.350 4.320 -0.000 0.000 0.204 166 A C -0.051 177.527 177.584 -0.010 0.000 1.712 166 A CA 0.337 52.361 52.037 -0.023 0.000 0.890 166 A CB 0.335 19.346 19.000 0.017 0.000 1.176 166 A HN 0.770 nan 8.150 nan 0.000 0.573 167 Q N -0.763 119.012 119.800 -0.042 0.000 2.435 167 Q HA 0.548 4.888 4.340 -0.000 0.000 0.282 167 Q C -3.223 172.758 176.000 -0.032 0.000 1.020 167 Q CA -2.200 53.606 55.803 0.005 0.000 0.820 167 Q CB 1.789 30.551 28.738 0.040 0.000 1.436 167 Q HN 0.035 nan 8.270 nan 0.000 0.395 168 P HA 0.180 nan 4.420 nan 0.000 0.268 168 P C -0.783 176.515 177.300 -0.004 0.000 1.205 168 P CA 0.183 63.286 63.100 0.006 0.000 0.771 168 P CB 0.351 32.140 31.700 0.148 0.000 0.858 169 I N -1.376 119.180 120.570 -0.023 0.000 3.095 169 I HA 0.596 4.766 4.170 -0.000 0.000 0.310 169 I C -0.723 175.417 176.117 0.039 0.000 1.196 169 I CA -1.720 59.577 61.300 -0.004 0.000 0.985 169 I CB 2.477 40.475 38.000 -0.003 0.000 1.250 169 I HN 0.029 nan 8.210 nan 0.000 0.446 170 R N 2.231 122.771 120.500 0.067 0.000 2.390 170 R HA 0.120 4.459 4.340 -0.000 0.000 0.291 170 R C 0.639 177.047 176.300 0.180 0.000 1.070 170 R CA -0.392 55.774 56.100 0.110 0.000 1.014 170 R CB 1.124 31.481 30.300 0.095 0.000 1.007 170 R HN 0.884 nan 8.270 nan 0.000 0.466 171 W N 3.309 124.610 121.300 0.002 0.000 2.325 171 W HA -0.248 4.412 4.660 -0.000 0.000 0.299 171 W C 0.613 177.224 176.519 0.153 0.000 1.215 171 W CA 1.605 58.974 57.345 0.041 0.000 1.244 171 W CB 0.095 29.545 29.460 -0.017 0.000 1.140 171 W HN 0.504 nan 8.180 nan 0.000 0.523 172 S N 0.555 116.295 115.700 0.067 0.000 2.399 172 S HA -0.286 4.184 4.470 -0.000 0.000 0.231 172 S C 1.548 176.106 174.600 -0.071 0.000 1.022 172 S CA 1.828 59.986 58.200 -0.071 0.000 0.983 172 S CB -0.441 62.769 63.200 0.017 0.000 0.803 172 S HN 0.355 nan 8.310 nan 0.000 0.480 173 Q N 0.751 120.551 119.800 0.000 0.000 2.119 173 Q HA -0.056 4.283 4.340 -0.000 0.000 0.201 173 Q C 1.697 177.674 176.000 -0.038 0.000 0.972 173 Q CA 1.378 57.170 55.803 -0.018 0.000 0.847 173 Q CB -0.479 28.264 28.738 0.008 0.000 0.903 173 Q HN 0.564 nan 8.270 nan 0.000 0.433 174 F N -0.133 119.727 119.950 -0.150 0.000 2.113 174 F HA -0.106 4.421 4.527 -0.000 0.000 0.297 174 F C 1.469 177.121 175.800 -0.248 0.000 1.103 174 F CA 1.338 59.239 58.000 -0.165 0.000 1.248 174 F CB -0.207 38.748 39.000 -0.075 0.000 0.999 174 F HN 0.100 nan 8.300 nan 0.000 0.475 175 L N 0.051 121.063 121.223 -0.352 0.000 2.046 175 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 175 L C 2.488 179.171 176.870 -0.312 0.000 1.077 175 L CA 1.346 55.940 54.840 -0.411 0.000 0.747 175 L CB -0.856 40.967 42.059 -0.394 0.000 0.896 175 L HN 0.251 nan 8.230 nan 0.000 0.432 176 L N -0.454 120.623 121.223 -0.243 0.000 2.141 176 L HA -0.159 4.180 4.340 -0.000 0.000 0.209 176 L C 2.873 179.598 176.870 -0.242 0.000 1.094 176 L CA 1.217 55.943 54.840 -0.190 0.000 0.763 176 L CB -0.598 41.384 42.059 -0.128 0.000 0.908 176 L HN 0.390 nan 8.230 nan 0.000 0.437 177 S N -1.338 114.157 115.700 -0.341 0.000 2.383 177 S HA -0.236 4.234 4.470 -0.000 0.000 0.229 177 S C 1.942 176.244 174.600 -0.496 0.000 1.030 177 S CA 1.057 59.010 58.200 -0.411 0.000 1.002 177 S CB -0.582 62.325 63.200 -0.487 0.000 0.829 177 S HN 0.456 nan 8.310 nan 0.000 0.467 178 H N 1.766 120.595 119.070 -0.402 0.000 2.363 178 H HA 0.249 4.805 4.556 -0.000 0.000 0.301 178 H C 2.718 177.879 175.328 -0.278 0.000 1.074 178 H CA 1.254 57.080 56.048 -0.369 0.000 1.354 178 H CB -0.881 28.627 29.762 -0.424 0.000 1.397 178 H HN 0.589 nan 8.280 nan 0.000 0.516 179 A N 0.822 123.564 122.820 -0.131 0.000 1.908 179 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 179 A C 2.828 180.344 177.584 -0.114 0.000 1.181 179 A CA 1.648 53.621 52.037 -0.106 0.000 0.627 179 A CB -0.889 18.053 19.000 -0.096 0.000 0.818 179 A HN 0.202 nan 8.150 nan 0.000 0.445 180 V N -0.173 119.654 119.914 -0.145 0.000 2.295 180 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 180 V C 3.075 179.077 176.094 -0.153 0.000 1.049 180 V CA 2.018 64.240 62.300 -0.130 0.000 1.024 180 V CB -1.272 30.470 31.823 -0.135 0.000 0.648 180 V HN 0.630 nan 8.190 nan 0.000 0.447 181 A N -0.288 122.379 122.820 -0.255 0.000 1.908 181 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 181 A C 2.204 179.622 177.584 -0.277 0.000 1.181 181 A CA 1.902 53.688 52.037 -0.417 0.000 0.627 181 A CB -0.592 17.904 19.000 -0.840 0.000 0.818 181 A HN 0.513 nan 8.150 nan 0.000 0.445 182 L N -0.781 120.341 121.223 -0.169 0.000 2.131 182 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 182 L C 2.671 179.562 176.870 0.036 0.000 1.092 182 L CA 1.615 56.451 54.840 -0.006 0.000 0.759 182 L CB -0.743 41.311 42.059 -0.008 0.000 0.903 182 L HN 0.332 nan 8.230 nan 0.000 0.435 183 T N -0.862 113.688 114.554 -0.007 0.000 2.867 183 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 183 T C 2.030 176.750 174.700 0.033 0.000 1.057 183 T CA 1.001 63.107 62.100 0.010 0.000 1.136 183 T CB -0.103 68.756 68.868 -0.016 0.000 0.874 183 T HN 0.289 nan 8.240 nan 0.000 0.466 184 R N 0.866 121.385 120.500 0.033 0.000 2.090 184 R HA -0.045 4.295 4.340 -0.000 0.000 0.228 184 R C 2.061 178.438 176.300 0.128 0.000 1.110 184 R CA 1.190 57.329 56.100 0.065 0.000 0.973 184 R CB -0.184 30.153 30.300 0.063 0.000 0.869 184 R HN 0.375 nan 8.270 nan 0.000 0.440 185 D N -0.011 120.500 120.400 0.185 0.000 2.117 185 D HA -0.136 4.503 4.640 -0.000 0.000 0.197 185 D C 1.804 178.281 176.300 0.294 0.000 0.987 185 D CA 1.212 55.390 54.000 0.296 0.000 0.829 185 D CB -0.234 40.743 40.800 0.295 0.000 0.961 185 D HN 0.037 nan 8.370 nan 0.000 0.460 186 S N 0.230 116.037 115.700 0.178 0.000 2.382 186 S HA -0.201 4.269 4.470 -0.000 0.000 0.228 186 S C 1.843 176.460 174.600 0.028 0.000 1.027 186 S CA 1.413 59.672 58.200 0.097 0.000 0.991 186 S CB -0.026 63.212 63.200 0.064 0.000 0.823 186 S HN 0.251 nan 8.310 nan 0.000 0.469 187 E N 0.308 120.532 120.200 0.041 0.000 2.077 187 E HA -0.138 4.211 4.350 -0.000 0.000 0.193 187 E C 2.404 179.007 176.600 0.005 0.000 0.989 187 E CA 0.894 57.304 56.400 0.017 0.000 0.800 187 E CB -0.067 29.648 29.700 0.026 0.000 0.746 187 E HN 0.453 nan 8.360 nan 0.000 0.452 188 R N 0.332 120.856 120.500 0.041 0.000 2.096 188 R HA -0.119 4.220 4.340 -0.000 0.000 0.235 188 R C 2.664 178.896 176.300 -0.113 0.000 1.127 188 R CA 1.168 57.288 56.100 0.033 0.000 0.968 188 R CB -0.442 29.950 30.300 0.153 0.000 0.861 188 R HN 0.306 nan 8.270 nan 0.000 0.440 189 L N 0.214 121.266 121.223 -0.286 0.000 2.042 189 L HA -0.144 4.195 4.340 -0.000 0.000 0.210 189 L C 2.198 178.901 176.870 -0.278 0.000 1.076 189 L CA 1.876 56.344 54.840 -0.621 0.000 0.749 189 L CB -0.634 41.054 42.059 -0.618 0.000 0.893 189 L HN 0.291 nan 8.230 nan 0.000 0.432 190 G N -0.994 107.717 108.800 -0.148 0.000 2.408 190 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 190 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 190 G C 1.311 176.177 174.900 -0.058 0.000 1.150 190 G CA 0.778 45.827 45.100 -0.085 0.000 0.776 190 G HN 0.509 nan 8.290 nan 0.000 0.542 191 E N -0.094 120.079 120.200 -0.045 0.000 2.072 191 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 191 E C 2.723 179.321 176.600 -0.004 0.000 0.985 191 E CA 0.832 57.224 56.400 -0.013 0.000 0.801 191 E CB -0.104 29.599 29.700 0.004 0.000 0.750 191 E HN 0.276 nan 8.360 nan 0.000 0.452 192 V N 1.668 121.570 119.914 -0.020 0.000 2.295 192 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 192 V C 2.357 178.466 176.094 0.025 0.000 1.049 192 V CA 1.824 64.138 62.300 0.025 0.000 1.024 192 V CB -0.416 31.420 31.823 0.022 0.000 0.648 192 V HN 0.197 nan 8.190 nan 0.000 0.447 193 K N -0.072 120.311 120.400 -0.027 0.000 2.103 193 K HA -0.260 4.060 4.320 -0.000 0.000 0.207 193 K C 2.231 178.830 176.600 -0.002 0.000 1.048 193 K CA 1.545 57.817 56.287 -0.025 0.000 0.930 193 K CB -0.054 32.409 32.500 -0.061 0.000 0.716 193 K HN 0.232 nan 8.250 nan 0.000 0.444 194 K N 0.561 120.961 120.400 -0.001 0.000 2.063 194 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 194 K C 2.024 178.639 176.600 0.026 0.000 1.048 194 K CA 1.456 57.750 56.287 0.011 0.000 0.928 194 K CB -0.024 32.480 32.500 0.007 0.000 0.713 194 K HN 0.127 nan 8.250 nan 0.000 0.442 195 R N -0.388 120.134 120.500 0.036 0.000 2.193 195 R HA 0.135 4.474 4.340 -0.000 0.000 0.213 195 R C 2.083 178.404 176.300 0.035 0.000 1.055 195 R CA 0.684 56.810 56.100 0.044 0.000 0.995 195 R CB -0.060 30.280 30.300 0.068 0.000 0.893 195 R HN 0.175 nan 8.270 nan 0.000 0.459 196 I N 0.790 121.387 120.570 0.045 0.000 2.439 196 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 196 I C 1.026 177.185 176.117 0.069 0.000 1.139 196 I CA 0.635 61.941 61.300 0.009 0.000 1.438 196 I CB -0.050 37.972 38.000 0.037 0.000 1.085 196 I HN 0.042 nan 8.210 nan 0.000 0.427 197 N N 1.214 119.977 118.700 0.104 0.000 2.878 197 N HA 0.061 4.801 4.740 -0.000 0.000 0.282 197 N C -1.049 174.632 175.510 0.284 0.000 1.284 197 N CA 0.221 53.409 53.050 0.229 0.000 1.053 197 N CB -0.136 38.403 38.487 0.086 0.000 1.382 197 N HN -0.101 nan 8.380 nan 0.000 0.529 198 V N 1.613 121.603 119.914 0.126 0.000 2.525 198 V HA 0.283 4.403 4.120 -0.000 0.000 0.299 198 V C -0.122 175.600 176.094 -0.620 0.000 1.034 198 V CA -1.170 61.053 62.300 -0.128 0.000 0.863 198 V CB 1.811 33.569 31.823 -0.108 0.000 0.999 198 V HN 0.155 nan 8.190 nan 0.000 0.423 199 L N 9.076 129.791 121.223 -0.847 0.000 2.477 199 L HA 0.363 4.702 4.340 -0.000 0.000 0.272 199 L C -1.408 175.112 176.870 -0.582 0.000 1.157 199 L CA -0.189 53.955 54.840 -1.160 0.000 0.889 199 L CB 1.030 42.698 42.059 -0.652 0.000 1.158 199 L HN 0.449 nan 8.230 nan 0.000 0.473 200 P HA 0.012 nan 4.420 nan 0.000 0.244 200 P C 0.250 177.441 177.300 -0.181 0.000 1.191 200 P CA -0.186 62.748 63.100 -0.276 0.000 0.829 200 P CB 0.286 31.836 31.700 -0.251 0.000 1.008 201 L N 1.386 122.500 121.223 -0.180 0.000 2.525 201 L HA 0.323 4.663 4.340 -0.000 0.000 0.278 201 L C 1.260 178.111 176.870 -0.032 0.000 1.218 201 L CA 2.026 56.815 54.840 -0.084 0.000 0.878 201 L CB -0.839 41.206 42.059 -0.022 0.000 1.127 201 L HN 0.424 nan 8.230 nan 0.000 0.492 202 G N 2.271 111.073 108.800 0.003 0.000 2.138 202 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.193 202 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.193 202 G C 0.734 175.638 174.900 0.006 0.000 0.998 202 G CA 0.249 45.379 45.100 0.050 0.000 0.668 202 G HN 0.683 nan 8.290 nan 0.000 0.516 203 S N -0.023 115.661 115.700 -0.026 0.000 2.535 203 S HA 0.476 4.946 4.470 -0.000 0.000 0.214 203 S C 1.882 176.466 174.600 -0.026 0.000 0.980 203 S CA 1.177 59.360 58.200 -0.028 0.000 0.907 203 S CB 0.302 63.478 63.200 -0.040 0.000 0.790 203 S HN 2.199 nan 8.310 nan 0.000 0.510 204 G N 1.867 110.647 108.800 -0.034 0.000 2.575 204 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.267 204 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.267 204 G C 0.883 175.745 174.900 -0.064 0.000 1.264 204 G CA -0.024 45.052 45.100 -0.040 0.000 0.935 204 G HN 0.658 nan 8.290 nan 0.000 0.568 205 A N -1.539 121.246 122.820 -0.058 0.000 1.970 205 A HA 0.564 4.883 4.320 -0.000 0.000 0.216 205 A C 2.186 179.747 177.584 -0.039 0.000 1.170 205 A CA 2.562 54.554 52.037 -0.075 0.000 0.645 205 A CB -0.016 18.944 19.000 -0.067 0.000 0.816 205 A HN 1.758 nan 8.150 nan 0.000 0.447 206 L N -4.627 116.586 121.223 -0.016 0.000 1.645 206 L HA 0.315 4.655 4.340 -0.000 0.000 0.177 206 L C 1.570 178.443 176.870 0.005 0.000 1.266 206 L CA 0.868 55.711 54.840 0.005 0.000 1.244 206 L CB -0.459 41.609 42.059 0.015 0.000 2.568 206 L HN 0.104 nan 8.230 nan 0.000 0.502 207 A N 0.653 123.474 122.820 0.001 0.000 2.308 207 A HA 0.637 4.957 4.320 -0.000 0.000 0.217 207 A C 0.919 178.503 177.584 0.001 0.000 1.216 207 A CA 0.685 52.723 52.037 0.002 0.000 0.864 207 A CB -0.306 18.696 19.000 0.003 0.000 0.902 207 A HN 0.827 nan 8.150 nan 0.000 0.499 208 G N -0.409 108.390 108.800 -0.001 0.000 2.423 208 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.684 208 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.684 208 G C -0.747 174.158 174.900 0.008 0.000 1.309 208 G CA -0.373 44.727 45.100 0.001 0.000 0.950 208 G HN 0.439 nan 8.290 nan 0.000 0.587 209 N N 1.108 119.819 118.700 0.019 0.000 2.497 209 N HA 0.349 5.089 4.740 -0.000 0.000 0.271 209 N C -0.837 174.692 175.510 0.032 0.000 1.142 209 N CA -0.868 52.208 53.050 0.042 0.000 0.965 209 N CB 1.638 40.168 38.487 0.072 0.000 1.077 209 N HN 0.347 nan 8.380 nan 0.000 0.462 210 P HA 0.117 nan 4.420 nan 0.000 0.255 210 P C 0.503 177.816 177.300 0.022 0.000 1.248 210 P CA 0.441 63.555 63.100 0.024 0.000 0.807 210 P CB 0.409 32.122 31.700 0.022 0.000 1.150 211 L N -0.181 121.058 121.223 0.027 0.000 2.872 211 L HA 0.247 4.587 4.340 -0.000 0.000 0.245 211 L C 0.291 177.160 176.870 -0.000 0.000 1.211 211 L CA -0.185 54.662 54.840 0.012 0.000 1.013 211 L CB -0.732 41.334 42.059 0.012 0.000 1.326 211 L HN -0.095 nan 8.230 nan 0.000 0.525 212 D N 1.109 121.511 120.400 0.003 0.000 2.751 212 D HA -0.249 4.391 4.640 -0.000 0.000 0.233 212 D C 0.239 176.532 176.300 -0.012 0.000 1.149 212 D CA 0.427 54.425 54.000 -0.004 0.000 0.682 212 D CB -0.627 40.169 40.800 -0.007 0.000 1.068 212 D HN 0.180 nan 8.370 nan 0.000 0.429 213 I N 0.828 121.392 120.570 -0.010 0.000 2.872 213 I HA -0.002 4.168 4.170 -0.000 0.000 0.291 213 I C 0.577 176.679 176.117 -0.024 0.000 1.216 213 I CA 0.265 61.546 61.300 -0.033 0.000 1.424 213 I CB 0.544 38.535 38.000 -0.015 0.000 1.351 213 I HN 0.056 nan 8.210 nan 0.000 0.592 214 D N 6.764 127.141 120.400 -0.039 0.000 2.435 214 D HA 0.113 4.752 4.640 -0.000 0.000 0.230 214 D C 1.061 177.355 176.300 -0.011 0.000 1.215 214 D CA 0.077 54.063 54.000 -0.024 0.000 0.947 214 D CB 0.302 41.085 40.800 -0.029 0.000 1.048 214 D HN 0.466 nan 8.370 nan 0.000 0.512 215 R N 2.072 122.571 120.500 -0.002 0.000 2.148 215 R HA -0.140 4.200 4.340 -0.000 0.000 0.227 215 R C 1.531 177.836 176.300 0.007 0.000 1.103 215 R CA 0.791 56.894 56.100 0.005 0.000 0.983 215 R CB 0.153 30.449 30.300 -0.005 0.000 0.874 215 R HN 0.332 nan 8.270 nan 0.000 0.451 216 E N 1.500 121.703 120.200 0.004 0.000 2.106 216 E HA -0.181 4.168 4.350 -0.000 0.000 0.192 216 E C 1.873 178.484 176.600 0.018 0.000 0.984 216 E CA 1.254 57.660 56.400 0.010 0.000 0.806 216 E CB -0.119 29.584 29.700 0.004 0.000 0.750 216 E HN 0.240 nan 8.360 nan 0.000 0.458 217 M N -0.325 119.281 119.600 0.010 0.000 2.132 217 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 217 M C 1.836 178.155 176.300 0.031 0.000 1.065 217 M CA 1.328 56.635 55.300 0.012 0.000 1.122 217 M CB -0.036 32.560 32.600 -0.007 0.000 1.365 217 M HN 0.229 nan 8.290 nan 0.000 0.411 218 L N -0.486 120.762 121.223 0.041 0.000 2.046 218 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 218 L C 2.772 179.713 176.870 0.119 0.000 1.077 218 L CA 1.404 56.292 54.840 0.080 0.000 0.747 218 L CB -0.906 41.205 42.059 0.087 0.000 0.896 218 L HN 0.393 nan 8.230 nan 0.000 0.432 219 R N -0.140 120.420 120.500 0.100 0.000 2.080 219 R HA -0.209 4.131 4.340 -0.000 0.000 0.236 219 R C 2.571 178.951 176.300 0.133 0.000 1.137 219 R CA 2.068 58.259 56.100 0.151 0.000 0.943 219 R CB -0.374 29.978 30.300 0.087 0.000 0.846 219 R HN 0.223 nan 8.270 nan 0.000 0.431 220 S N 0.227 115.971 115.700 0.073 0.000 2.356 220 S HA -0.135 4.335 4.470 -0.000 0.000 0.223 220 S C 1.746 176.369 174.600 0.038 0.000 1.032 220 S CA 1.314 59.541 58.200 0.045 0.000 1.005 220 S CB -0.150 63.066 63.200 0.027 0.000 0.867 220 S HN 0.370 nan 8.310 nan 0.000 0.449 221 E N 0.883 121.110 120.200 0.046 0.000 2.077 221 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 221 E C 1.960 178.579 176.600 0.031 0.000 0.989 221 E CA 0.916 57.338 56.400 0.036 0.000 0.800 221 E CB -0.361 29.364 29.700 0.042 0.000 0.746 221 E HN 0.541 nan 8.360 nan 0.000 0.452 222 L N 0.303 121.567 121.223 0.068 0.000 2.591 222 L HA 0.043 4.383 4.340 -0.000 0.000 0.228 222 L C 0.149 176.940 176.870 -0.131 0.000 1.133 222 L CA 0.182 55.034 54.840 0.019 0.000 0.880 222 L CB -0.233 41.941 42.059 0.192 0.000 1.033 222 L HN 0.069 nan 8.230 nan 0.000 0.450 223 E N -0.802 119.368 120.200 -0.049 0.000 2.513 223 E HA -0.233 4.117 4.350 -0.000 0.000 0.257 223 E C -0.203 176.316 176.600 -0.134 0.000 1.098 223 E CA 0.172 56.520 56.400 -0.088 0.000 0.752 223 E CB -1.626 28.000 29.700 -0.123 0.000 1.324 223 E HN 0.281 nan 8.360 nan 0.000 0.403 224 F N -0.303 119.631 119.950 -0.026 0.000 2.380 224 F HA 0.353 4.880 4.527 -0.001 0.000 0.325 224 F C 1.678 177.460 175.800 -0.029 0.000 1.136 224 F CA 0.304 58.283 58.000 -0.034 0.000 1.171 224 F CB 0.712 39.689 39.000 -0.038 0.000 1.230 224 F HN 0.044 nan 8.300 nan 0.000 0.554 225 A N 0.910 123.845 122.820 0.192 0.000 1.970 225 A HA 0.153 4.473 4.320 -0.000 0.000 0.216 225 A C 0.661 178.289 177.584 0.074 0.000 1.170 225 A CA 1.339 53.431 52.037 0.092 0.000 0.645 225 A CB -0.432 18.604 19.000 0.060 0.000 0.816 225 A HN 0.679 nan 8.150 nan 0.000 0.447 226 S N -1.863 113.883 115.700 0.077 0.000 2.727 226 S HA 0.633 5.103 4.470 -0.000 0.000 0.278 226 S C -0.682 173.902 174.600 -0.027 0.000 1.186 226 S CA -0.249 57.965 58.200 0.023 0.000 0.836 226 S CB 0.457 63.661 63.200 0.007 0.000 1.186 226 S HN 0.967 nan 8.310 nan 0.000 0.499 227 I N -0.205 120.335 120.570 -0.051 0.000 2.693 227 I HA 0.757 4.927 4.170 -0.000 0.000 0.303 227 I C 0.050 176.108 176.117 -0.097 0.000 1.025 227 I CA -0.843 60.396 61.300 -0.103 0.000 1.086 227 I CB 2.163 40.119 38.000 -0.073 0.000 1.268 227 I HN 0.857 nan 8.210 nan 0.000 0.440 228 S N 4.715 120.336 115.700 -0.131 0.000 2.558 228 S HA 0.167 4.637 4.470 -0.000 0.000 0.288 228 S C 0.811 175.376 174.600 -0.058 0.000 1.318 228 S CA -0.520 57.622 58.200 -0.097 0.000 1.056 228 S CB 0.872 64.005 63.200 -0.112 0.000 0.853 228 S HN 0.721 nan 8.310 nan 0.000 0.505 229 L N 1.237 122.437 121.223 -0.038 0.000 2.209 229 L HA 0.166 4.506 4.340 -0.000 0.000 0.207 229 L C 1.046 177.906 176.870 -0.017 0.000 1.094 229 L CA 0.741 55.568 54.840 -0.023 0.000 0.790 229 L CB -0.541 41.509 42.059 -0.014 0.000 0.932 229 L HN 0.823 nan 8.230 nan 0.000 0.447 230 N N -1.414 117.277 118.700 -0.016 0.000 2.397 230 N HA 0.059 4.799 4.740 -0.000 0.000 0.291 230 N C 0.822 176.327 175.510 -0.009 0.000 1.065 230 N CA 0.117 53.161 53.050 -0.009 0.000 0.884 230 N CB 1.459 39.945 38.487 -0.002 0.000 1.551 230 N HN -0.034 nan 8.380 nan 0.000 0.487 231 S N 3.611 119.306 115.700 -0.008 0.000 2.370 231 S HA -0.236 4.234 4.470 -0.000 0.000 0.226 231 S C 1.673 176.276 174.600 0.005 0.000 1.033 231 S CA 1.005 59.201 58.200 -0.007 0.000 1.011 231 S CB -0.360 62.836 63.200 -0.006 0.000 0.852 231 S HN 0.682 nan 8.310 nan 0.000 0.457 232 M N 1.628 121.235 119.600 0.011 0.000 2.117 232 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 232 M C 2.294 178.612 176.300 0.030 0.000 1.065 232 M CA 2.115 57.428 55.300 0.023 0.000 1.114 232 M CB -0.695 31.916 32.600 0.019 0.000 1.361 232 M HN 0.437 nan 8.290 nan 0.000 0.408 233 D N 0.433 120.847 120.400 0.023 0.000 2.097 233 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 233 D C 1.895 178.219 176.300 0.041 0.000 0.989 233 D CA 1.837 55.855 54.000 0.030 0.000 0.827 233 D CB 0.060 40.872 40.800 0.021 0.000 0.966 233 D HN 0.273 nan 8.370 nan 0.000 0.456 234 A N 0.159 122.992 122.820 0.021 0.000 1.940 234 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 234 A C 2.206 179.815 177.584 0.041 0.000 1.176 234 A CA 1.150 53.193 52.037 0.010 0.000 0.631 234 A CB -0.607 18.372 19.000 -0.036 0.000 0.814 234 A HN 0.369 nan 8.150 nan 0.000 0.446 235 I N 0.331 120.931 120.570 0.050 0.000 2.333 235 I HA -0.116 4.054 4.170 -0.000 0.000 0.246 235 I C 2.627 178.836 176.117 0.153 0.000 1.106 235 I CA 2.042 63.395 61.300 0.088 0.000 1.411 235 I CB -1.120 36.926 38.000 0.076 0.000 1.082 235 I HN 0.516 nan 8.210 nan 0.000 0.420 236 S N 0.163 115.931 115.700 0.113 0.000 2.503 236 S HA 0.019 4.489 4.470 -0.000 0.000 0.215 236 S C 0.661 175.299 174.600 0.064 0.000 1.003 236 S CA -0.438 57.813 58.200 0.086 0.000 0.910 236 S CB -0.349 62.880 63.200 0.048 0.000 0.790 236 S HN 0.500 nan 8.310 nan 0.000 0.514 237 E N 1.314 121.569 120.200 0.092 0.000 2.354 237 E HA 0.397 4.747 4.350 -0.000 0.000 0.269 237 E C 0.158 176.833 176.600 0.126 0.000 1.036 237 E CA -0.663 55.792 56.400 0.092 0.000 0.876 237 E CB 0.514 30.280 29.700 0.109 0.000 1.009 237 E HN -0.033 nan 8.360 nan 0.000 0.416 238 R N 2.703 123.197 120.500 -0.011 0.000 2.668 238 R HA 0.131 4.471 4.340 -0.000 0.000 0.435 238 R C -0.436 175.699 176.300 -0.275 0.000 1.059 238 R CA -0.223 55.719 56.100 -0.264 0.000 1.073 238 R CB -0.014 30.123 30.300 -0.272 0.000 1.401 238 R HN 0.648 nan 8.270 nan 0.000 0.590 239 D N 0.828 121.209 120.400 -0.033 0.000 2.116 239 D HA -0.207 4.433 4.640 -0.000 0.000 0.193 239 D C 1.633 177.961 176.300 0.046 0.000 0.998 239 D CA 1.561 55.581 54.000 0.033 0.000 0.836 239 D CB -0.256 40.613 40.800 0.115 0.000 0.951 239 D HN 0.361 nan 8.370 nan 0.000 0.449 240 F N -0.202 119.784 119.950 0.059 0.000 2.202 240 F HA -0.135 4.391 4.527 -0.000 0.000 0.301 240 F C 2.018 177.894 175.800 0.128 0.000 1.082 240 F CA 0.573 58.622 58.000 0.081 0.000 1.313 240 F CB -0.928 38.107 39.000 0.058 0.000 1.024 240 F HN -0.147 nan 8.300 nan 0.000 0.495 241 V N 0.642 120.174 119.914 -0.637 0.000 2.323 241 V HA -0.208 3.912 4.120 -0.000 0.000 0.244 241 V C 2.568 178.648 176.094 -0.023 0.000 1.041 241 V CA 1.530 63.639 62.300 -0.318 0.000 1.025 241 V CB -0.502 31.035 31.823 -0.477 0.000 0.656 241 V HN 0.355 nan 8.190 nan 0.000 0.451 242 V N 1.427 121.293 119.914 -0.081 0.000 2.287 242 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 242 V C 2.543 178.669 176.094 0.055 0.000 1.053 242 V CA 2.510 64.802 62.300 -0.014 0.000 1.027 242 V CB -0.909 30.896 31.823 -0.030 0.000 0.646 242 V HN 0.871 nan 8.190 nan 0.000 0.447 243 E N -0.174 120.084 120.200 0.097 0.000 2.274 243 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 243 E C 2.136 178.864 176.600 0.212 0.000 0.996 243 E CA 1.307 57.786 56.400 0.132 0.000 0.840 243 E CB -0.476 29.299 29.700 0.126 0.000 0.772 243 E HN 0.570 nan 8.360 nan 0.000 0.491 244 F N 2.195 122.223 119.950 0.130 0.000 2.146 244 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 244 F C 1.826 177.772 175.800 0.243 0.000 1.096 244 F CA 1.175 59.306 58.000 0.220 0.000 1.275 244 F CB -0.121 38.984 39.000 0.175 0.000 1.008 244 F HN -0.074 nan 8.300 nan 0.000 0.480 245 L N -0.560 120.642 121.223 -0.036 0.000 2.141 245 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 245 L C 2.511 179.295 176.870 -0.143 0.000 1.094 245 L CA 1.250 55.981 54.840 -0.181 0.000 0.763 245 L CB -0.935 41.094 42.059 -0.049 0.000 0.908 245 L HN 0.107 nan 8.230 nan 0.000 0.437 246 S N 0.079 115.760 115.700 -0.033 0.000 2.355 246 S HA -0.182 4.288 4.470 -0.000 0.000 0.222 246 S C 1.783 176.362 174.600 -0.036 0.000 1.031 246 S CA 1.379 59.571 58.200 -0.014 0.000 0.993 246 S CB -0.393 62.827 63.200 0.034 0.000 0.859 246 S HN 0.459 nan 8.310 nan 0.000 0.453 247 F N 3.003 122.882 119.950 -0.118 0.000 2.095 247 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 247 F C 2.256 177.947 175.800 -0.182 0.000 1.104 247 F CA 1.207 59.137 58.000 -0.117 0.000 1.232 247 F CB -0.958 37.996 39.000 -0.077 0.000 0.987 247 F HN 0.156 nan 8.300 nan 0.000 0.475 248 A N -0.052 122.236 122.820 -0.887 0.000 1.902 248 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 248 A C 2.194 179.437 177.584 -0.569 0.000 1.181 248 A CA 2.270 53.701 52.037 -1.009 0.000 0.623 248 A CB -1.510 17.017 19.000 -0.788 0.000 0.818 248 A HN 0.516 nan 8.150 nan 0.000 0.443 249 T N 0.058 114.399 114.554 -0.355 0.000 2.777 249 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 249 T C 1.838 176.381 174.700 -0.262 0.000 1.040 249 T CA 1.216 63.191 62.100 -0.208 0.000 1.141 249 T CB -0.304 68.532 68.868 -0.053 0.000 0.868 249 T HN 0.341 nan 8.240 nan 0.000 0.444 250 L N 0.672 121.719 121.223 -0.293 0.000 2.046 250 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 250 L C 2.395 178.945 176.870 -0.533 0.000 1.077 250 L CA 1.042 55.658 54.840 -0.373 0.000 0.747 250 L CB -0.344 41.551 42.059 -0.273 0.000 0.896 250 L HN 0.257 nan 8.230 nan 0.000 0.432 251 L N -0.434 120.516 121.223 -0.456 0.000 2.042 251 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 251 L C 2.421 179.134 176.870 -0.263 0.000 1.076 251 L CA 1.900 56.537 54.840 -0.339 0.000 0.749 251 L CB -0.523 41.243 42.059 -0.489 0.000 0.893 251 L HN 0.194 nan 8.230 nan 0.000 0.432 252 M N -0.694 118.737 119.600 -0.283 0.000 2.213 252 M HA -0.157 4.322 4.480 -0.000 0.000 0.263 252 M C 2.265 178.467 176.300 -0.163 0.000 1.062 252 M CA 1.258 56.446 55.300 -0.188 0.000 1.105 252 M CB -1.063 31.439 32.600 -0.163 0.000 1.385 252 M HN 0.266 nan 8.290 nan 0.000 0.417 253 I N -0.664 119.769 120.570 -0.227 0.000 2.226 253 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 253 I C 2.266 178.325 176.117 -0.098 0.000 1.100 253 I CA 1.620 62.804 61.300 -0.194 0.000 1.374 253 I CB -1.497 36.346 38.000 -0.262 0.000 1.057 253 I HN 0.419 nan 8.210 nan 0.000 0.413 254 H N 0.240 119.259 119.070 -0.085 0.000 2.353 254 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 254 H C 2.372 177.653 175.328 -0.079 0.000 1.090 254 H CA 0.812 56.826 56.048 -0.057 0.000 1.327 254 H CB 0.029 29.762 29.762 -0.049 0.000 1.383 254 H HN 0.204 nan 8.280 nan 0.000 0.508 255 L N 0.570 121.804 121.223 0.018 0.000 2.201 255 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 255 L C 2.655 179.476 176.870 -0.082 0.000 1.105 255 L CA 1.139 55.942 54.840 -0.062 0.000 0.775 255 L CB -0.356 41.659 42.059 -0.074 0.000 0.913 255 L HN 0.384 nan 8.230 nan 0.000 0.440 256 S N -0.309 115.351 115.700 -0.066 0.000 2.406 256 S HA -0.215 4.255 4.470 -0.000 0.000 0.228 256 S C 1.988 176.550 174.600 -0.064 0.000 1.020 256 S CA 0.980 59.138 58.200 -0.070 0.000 0.965 256 S CB -0.165 62.992 63.200 -0.072 0.000 0.798 256 S HN 0.395 nan 8.310 nan 0.000 0.488 257 K N 0.824 121.205 120.400 -0.033 0.000 2.062 257 K HA 0.058 4.378 4.320 -0.000 0.000 0.205 257 K C 2.384 178.957 176.600 -0.046 0.000 1.051 257 K CA 1.204 57.491 56.287 0.000 0.000 0.941 257 K CB -0.304 32.244 32.500 0.081 0.000 0.719 257 K HN 0.460 nan 8.250 nan 0.000 0.440 258 M N 0.345 119.836 119.600 -0.181 0.000 2.117 258 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 258 M C 2.016 178.166 176.300 -0.250 0.000 1.065 258 M CA 1.744 56.749 55.300 -0.492 0.000 1.114 258 M CB -0.096 32.076 32.600 -0.713 0.000 1.361 258 M HN 0.292 nan 8.290 nan 0.000 0.408 259 A N -0.039 122.679 122.820 -0.171 0.000 1.902 259 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 259 A C 1.833 179.342 177.584 -0.124 0.000 1.181 259 A CA 2.102 54.064 52.037 -0.125 0.000 0.623 259 A CB -0.870 18.072 19.000 -0.096 0.000 0.818 259 A HN 0.645 nan 8.150 nan 0.000 0.443 260 E N 0.491 120.620 120.200 -0.120 0.000 2.058 260 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 260 E C 1.427 177.898 176.600 -0.216 0.000 0.997 260 E CA 1.815 58.134 56.400 -0.135 0.000 0.801 260 E CB -0.257 29.382 29.700 -0.102 0.000 0.746 260 E HN 0.531 nan 8.360 nan 0.000 0.450 261 D N -0.339 119.927 120.400 -0.223 0.000 2.092 261 D HA -0.154 4.486 4.640 -0.000 0.000 0.193 261 D C 1.846 177.776 176.300 -0.617 0.000 0.994 261 D CA 0.970 54.706 54.000 -0.440 0.000 0.828 261 D CB -0.245 40.511 40.800 -0.072 0.000 0.963 261 D HN 0.196 nan 8.370 nan 0.000 0.450 262 L N 0.614 121.684 121.223 -0.255 0.000 2.093 262 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 262 L C 2.391 179.201 176.870 -0.100 0.000 1.085 262 L CA 0.866 55.649 54.840 -0.096 0.000 0.755 262 L CB -0.571 41.489 42.059 0.001 0.000 0.904 262 L HN 0.077 nan 8.230 nan 0.000 0.435 263 I N -1.128 119.357 120.570 -0.142 0.000 2.252 263 I HA -0.314 3.855 4.170 -0.000 0.000 0.245 263 I C 2.306 178.316 176.117 -0.179 0.000 1.102 263 I CA 1.298 62.526 61.300 -0.120 0.000 1.385 263 I CB -0.145 37.788 38.000 -0.111 0.000 1.064 263 I HN 0.160 nan 8.210 nan 0.000 0.414 264 I N -0.468 119.916 120.570 -0.310 0.000 2.252 264 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 264 I C 2.263 178.064 176.117 -0.527 0.000 1.102 264 I CA 1.205 62.205 61.300 -0.500 0.000 1.385 264 I CB -0.411 37.179 38.000 -0.684 0.000 1.064 264 I HN 0.173 nan 8.210 nan 0.000 0.414 265 Y N 0.762 120.785 120.300 -0.461 0.000 2.421 265 Y HA -0.140 4.410 4.550 -0.000 0.000 0.292 265 Y C 2.847 178.668 175.900 -0.131 0.000 1.136 265 Y CA 0.858 58.801 58.100 -0.262 0.000 1.255 265 Y CB -1.157 37.326 38.460 0.038 0.000 0.991 265 Y HN 0.295 nan 8.280 nan 0.000 0.552 266 S N -1.136 114.587 115.700 0.037 0.000 2.575 266 S HA 0.014 4.484 4.470 -0.000 0.000 0.215 266 S C 0.934 175.533 174.600 -0.001 0.000 0.966 266 S CA -0.006 58.214 58.200 0.032 0.000 0.911 266 S CB -1.060 62.160 63.200 0.034 0.000 0.780 266 S HN 0.362 nan 8.310 nan 0.000 0.514 267 T N 0.861 115.396 114.554 -0.031 0.000 2.855 267 T HA 0.254 4.604 4.350 -0.000 0.000 0.314 267 T C 1.411 176.121 174.700 0.017 0.000 1.077 267 T CA 0.078 62.177 62.100 -0.003 0.000 1.095 267 T CB 0.967 69.847 68.868 0.020 0.000 0.987 267 T HN 0.349 nan 8.240 nan 0.000 0.546 268 S N 0.377 116.085 115.700 0.013 0.000 2.423 268 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 268 S C 1.611 176.204 174.600 -0.011 0.000 1.014 268 S CA 0.705 58.904 58.200 -0.000 0.000 0.965 268 S CB -0.561 62.638 63.200 -0.002 0.000 0.785 268 S HN 0.786 nan 8.310 nan 0.000 0.495 269 E N 1.041 121.253 120.200 0.019 0.000 2.051 269 E HA 0.018 4.368 4.350 -0.000 0.000 0.192 269 E C 1.469 177.996 176.600 -0.121 0.000 0.991 269 E CA 1.420 57.812 56.400 -0.013 0.000 0.799 269 E CB -0.398 29.336 29.700 0.057 0.000 0.748 269 E HN 0.619 nan 8.360 nan 0.000 0.449 270 F N -0.790 118.973 119.950 -0.312 0.000 2.179 270 F HA 0.201 4.728 4.527 -0.000 0.000 0.292 270 F C 1.917 177.306 175.800 -0.685 0.000 1.089 270 F CA 1.128 58.729 58.000 -0.665 0.000 1.295 270 F CB -0.486 38.039 39.000 -0.792 0.000 1.041 270 F HN 0.155 nan 8.300 nan 0.000 0.487 271 G N -0.308 108.389 108.800 -0.172 0.000 2.225 271 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.267 271 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.267 271 G C 0.756 175.677 174.900 0.035 0.000 1.024 271 G CA 0.514 45.571 45.100 -0.072 0.000 0.784 271 G HN 0.248 nan 8.290 nan 0.000 0.507 272 F N -0.642 119.298 119.950 -0.017 0.000 2.367 272 F HA 0.397 4.924 4.527 -0.000 0.000 0.298 272 F C 1.484 177.174 175.800 -0.182 0.000 1.094 272 F CA 0.810 58.717 58.000 -0.155 0.000 1.409 272 F CB -0.291 38.543 39.000 -0.276 0.000 1.064 272 F HN 0.476 nan 8.300 nan 0.000 0.528 273 L N -4.026 117.259 121.223 0.104 0.000 2.671 273 L HA 0.775 5.115 4.340 -0.000 0.000 0.259 273 L C -0.847 176.059 176.870 0.061 0.000 1.021 273 L CA -0.786 54.081 54.840 0.045 0.000 0.871 273 L CB 1.916 44.010 42.059 0.057 0.000 1.472 273 L HN -0.369 nan 8.230 nan 0.000 0.410 274 T N 1.436 116.023 114.554 0.055 0.000 2.881 274 T HA 0.670 5.020 4.350 -0.000 0.000 0.290 274 T C -0.318 174.427 174.700 0.075 0.000 1.000 274 T CA -0.492 61.642 62.100 0.056 0.000 0.978 274 T CB 1.417 70.309 68.868 0.041 0.000 0.997 274 T HN 0.625 nan 8.240 nan 0.000 0.443 275 L N 2.474 123.747 121.223 0.083 0.000 2.453 275 L HA 0.424 4.764 4.340 -0.000 0.000 0.261 275 L C 1.302 178.242 176.870 0.117 0.000 1.179 275 L CA -0.646 54.261 54.840 0.112 0.000 0.813 275 L CB 0.648 42.779 42.059 0.120 0.000 1.110 275 L HN 0.771 nan 8.230 nan 0.000 0.466 276 S N -0.588 115.210 115.700 0.164 0.000 2.614 276 S HA 0.078 4.548 4.470 -0.000 0.000 0.265 276 S C 0.528 175.183 174.600 0.092 0.000 1.303 276 S CA -0.752 57.527 58.200 0.132 0.000 1.000 276 S CB 1.085 64.388 63.200 0.171 0.000 0.935 276 S HN 0.578 nan 8.310 nan 0.000 0.551 277 D N 1.348 121.768 120.400 0.034 0.000 2.182 277 D HA -0.050 4.590 4.640 -0.000 0.000 0.201 277 D C 2.100 178.354 176.300 -0.076 0.000 0.986 277 D CA 1.661 55.655 54.000 -0.009 0.000 0.847 277 D CB -0.791 39.998 40.800 -0.018 0.000 0.942 277 D HN 0.722 nan 8.370 nan 0.000 0.467 278 A N -0.408 122.321 122.820 -0.151 0.000 2.019 278 A HA -0.105 4.214 4.320 -0.000 0.000 0.219 278 A C 1.285 178.446 177.584 -0.705 0.000 1.164 278 A CA 0.851 52.623 52.037 -0.443 0.000 0.644 278 A CB -0.469 18.181 19.000 -0.583 0.000 0.805 278 A HN 0.236 nan 8.150 nan 0.000 0.449 279 F N -0.166 119.791 119.950 0.011 0.000 2.764 279 F HA 0.265 4.792 4.527 -0.000 0.000 0.310 279 F C 0.757 176.561 175.800 0.007 0.000 1.124 279 F CA 0.256 58.261 58.000 0.009 0.000 1.252 279 F CB 0.501 39.508 39.000 0.012 0.000 1.010 279 F HN 0.180 nan 8.300 nan 0.000 0.518 280 S N -1.846 113.907 115.700 0.088 0.000 2.651 280 S HA 0.776 5.246 4.470 -0.000 0.000 0.279 280 S C -0.579 174.033 174.600 0.020 0.000 1.148 280 S CA -0.671 57.566 58.200 0.063 0.000 0.837 280 S CB 2.363 65.601 63.200 0.063 0.000 1.138 280 S HN -0.130 nan 8.310 nan 0.000 0.478 281 T N 0.206 114.770 114.554 0.017 0.000 2.908 281 T HA 0.898 5.248 4.350 -0.000 0.000 0.290 281 T C -0.004 174.700 174.700 0.006 0.000 1.034 281 T CA -0.257 61.846 62.100 0.005 0.000 1.010 281 T CB 1.505 70.376 68.868 0.005 0.000 1.068 281 T HN 1.251 nan 8.240 nan 0.000 0.481 282 G N 0.233 109.034 108.800 0.001 0.000 2.608 282 G HA2 0.592 4.551 3.960 -0.000 0.000 0.291 282 G HA3 0.592 4.551 3.960 -0.000 0.000 0.291 282 G C -1.510 173.389 174.900 -0.000 0.000 1.425 282 G CA -0.520 44.581 45.100 0.002 0.000 0.787 282 G HN 0.716 nan 8.290 nan 0.000 0.484 283 S N -1.426 114.274 115.700 0.000 0.000 2.536 283 S HA 0.540 5.010 4.470 -0.000 0.000 0.298 283 S C 1.532 176.132 174.600 -0.000 0.000 1.083 283 S CA 0.451 58.651 58.200 -0.001 0.000 0.995 283 S CB 1.636 64.836 63.200 -0.000 0.000 1.058 283 S HN 1.483 nan 8.310 nan 0.000 0.488 284 S N 3.799 119.499 115.700 -0.001 0.000 2.474 284 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 284 S C 1.527 176.127 174.600 -0.000 0.000 0.997 284 S CA 0.651 58.850 58.200 -0.001 0.000 0.949 284 S CB -0.436 62.763 63.200 -0.001 0.000 0.766 284 S HN 0.584 nan 8.310 nan 0.000 0.517 285 L N 0.471 121.694 121.223 -0.000 0.000 2.156 285 L HA 0.336 4.676 4.340 -0.000 0.000 0.208 285 L C 1.316 178.186 176.870 0.000 0.000 1.095 285 L CA 1.394 56.234 54.840 -0.000 0.000 0.770 285 L CB -0.570 41.489 42.059 -0.000 0.000 0.914 285 L HN 0.404 nan 8.230 nan 0.000 0.439 286 M N 0.359 119.960 119.600 0.001 0.000 2.389 286 M HA 0.210 4.690 4.480 -0.000 0.000 0.206 286 M C -1.591 174.710 176.300 0.002 0.000 0.976 286 M CA -1.065 54.236 55.300 0.001 0.000 0.648 286 M CB 1.533 34.133 32.600 0.001 0.000 1.474 286 M HN -0.159 nan 8.290 nan 0.000 0.398 287 P HA -0.215 nan 4.420 nan 0.000 0.218 287 P C 0.745 178.048 177.300 0.005 0.000 1.146 287 P CA 1.569 64.671 63.100 0.003 0.000 0.813 287 P CB 0.232 31.933 31.700 0.002 0.000 0.778 288 Q N -0.249 119.554 119.800 0.005 0.000 2.389 288 Q HA 0.027 4.367 4.340 -0.000 0.000 0.204 288 Q C 1.175 177.180 176.000 0.008 0.000 0.944 288 Q CA 0.475 56.282 55.803 0.006 0.000 0.908 288 Q CB -0.275 28.465 28.738 0.004 0.000 1.002 288 Q HN 0.384 nan 8.270 nan 0.000 0.493 289 K N 2.056 122.460 120.400 0.006 0.000 2.338 289 K HA 0.099 4.418 4.320 -0.000 0.000 0.290 289 K C -0.750 175.855 176.600 0.009 0.000 1.069 289 K CA 0.107 56.397 56.287 0.007 0.000 0.941 289 K CB 0.256 32.758 32.500 0.004 0.000 1.023 289 K HN -0.184 nan 8.250 nan 0.000 0.477 290 K N 3.902 124.310 120.400 0.013 0.000 2.367 290 K HA 0.241 4.561 4.320 -0.000 0.000 0.263 290 K C -0.898 175.713 176.600 0.018 0.000 1.000 290 K CA -0.901 55.397 56.287 0.018 0.000 0.891 290 K CB 1.078 33.595 32.500 0.027 0.000 1.117 290 K HN 0.514 nan 8.250 nan 0.000 0.443 291 N N 4.514 123.223 118.700 0.016 0.000 2.430 291 N HA 0.078 4.818 4.740 -0.000 0.000 0.265 291 N C -2.166 173.358 175.510 0.023 0.000 1.100 291 N CA -1.608 51.450 53.050 0.014 0.000 0.961 291 N CB 0.778 39.270 38.487 0.009 0.000 1.075 291 N HN 0.335 nan 8.380 nan 0.000 0.478 292 P HA 0.058 nan 4.420 nan 0.000 0.246 292 P C -0.240 177.079 177.300 0.030 0.000 1.675 292 P CA -0.065 63.052 63.100 0.029 0.000 0.908 292 P CB 0.060 31.765 31.700 0.009 0.000 1.890 293 D N 0.966 121.389 120.400 0.038 0.000 2.133 293 D HA -0.211 4.429 4.640 -0.000 0.000 0.192 293 D C 2.251 178.580 176.300 0.049 0.000 1.001 293 D CA 2.386 56.408 54.000 0.036 0.000 0.844 293 D CB -0.412 40.410 40.800 0.036 0.000 0.944 293 D HN 0.308 nan 8.370 nan 0.000 0.447 294 S N 0.112 115.866 115.700 0.089 0.000 2.359 294 S HA -0.181 4.289 4.470 -0.000 0.000 0.224 294 S C 2.128 176.748 174.600 0.033 0.000 1.035 294 S CA 0.928 59.192 58.200 0.107 0.000 1.018 294 S CB -0.805 62.520 63.200 0.208 0.000 0.876 294 S HN 0.292 nan 8.310 nan 0.000 0.448 295 L N 1.167 122.398 121.223 0.012 0.000 2.109 295 L HA 0.012 4.352 4.340 -0.000 0.000 0.207 295 L C 2.906 179.761 176.870 -0.026 0.000 1.086 295 L CA 1.394 56.219 54.840 -0.024 0.000 0.760 295 L CB -0.622 41.416 42.059 -0.034 0.000 0.910 295 L HN 0.384 nan 8.230 nan 0.000 0.437 296 E N 0.343 120.535 120.200 -0.013 0.000 2.106 296 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 296 E C 2.357 178.950 176.600 -0.012 0.000 0.984 296 E CA 0.863 57.253 56.400 -0.016 0.000 0.806 296 E CB -0.062 29.633 29.700 -0.010 0.000 0.750 296 E HN 0.448 nan 8.360 nan 0.000 0.458 297 L N 0.698 121.921 121.223 -0.001 0.000 2.017 297 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 297 L C 2.464 179.328 176.870 -0.011 0.000 1.073 297 L CA 1.039 55.880 54.840 0.002 0.000 0.745 297 L CB -0.375 41.694 42.059 0.017 0.000 0.894 297 L HN 0.155 nan 8.230 nan 0.000 0.432 298 I N -0.472 120.086 120.570 -0.019 0.000 2.127 298 I HA -0.343 3.826 4.170 -0.000 0.000 0.241 298 I C 2.882 178.972 176.117 -0.044 0.000 1.075 298 I CA 1.375 62.653 61.300 -0.037 0.000 1.334 298 I CB -0.351 37.616 38.000 -0.054 0.000 1.040 298 I HN 0.249 nan 8.210 nan 0.000 0.405 299 R N 1.081 121.553 120.500 -0.046 0.000 2.091 299 R HA -0.218 4.122 4.340 -0.000 0.000 0.238 299 R C 2.513 178.790 176.300 -0.038 0.000 1.136 299 R CA 2.255 58.326 56.100 -0.049 0.000 0.959 299 R CB -0.275 29.995 30.300 -0.049 0.000 0.856 299 R HN 0.496 nan 8.270 nan 0.000 0.437 300 S N 0.325 116.009 115.700 -0.027 0.000 2.399 300 S HA -0.070 4.400 4.470 -0.000 0.000 0.231 300 S C 1.582 176.175 174.600 -0.013 0.000 1.022 300 S CA 0.809 58.999 58.200 -0.016 0.000 0.983 300 S CB -0.069 63.125 63.200 -0.009 0.000 0.803 300 S HN 0.239 nan 8.310 nan 0.000 0.480 301 K N 1.824 122.213 120.400 -0.018 0.000 2.442 301 K HA 0.251 4.571 4.320 -0.000 0.000 0.198 301 K C 2.213 178.799 176.600 -0.023 0.000 1.042 301 K CA 0.918 57.194 56.287 -0.018 0.000 0.958 301 K CB -0.984 31.503 32.500 -0.022 0.000 0.766 301 K HN 0.546 nan 8.250 nan 0.000 0.474 302 A N 1.047 123.848 122.820 -0.032 0.000 1.902 302 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 302 A C 2.462 180.061 177.584 0.026 0.000 1.181 302 A CA 1.956 53.971 52.037 -0.037 0.000 0.623 302 A CB -0.920 18.041 19.000 -0.066 0.000 0.818 302 A HN 0.357 nan 8.150 nan 0.000 0.443 303 G N -0.844 107.978 108.800 0.038 0.000 2.402 303 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 303 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 303 G C 1.728 176.684 174.900 0.093 0.000 1.162 303 G CA 0.891 46.057 45.100 0.110 0.000 0.777 303 G HN 0.527 nan 8.290 nan 0.000 0.539 304 R N 0.008 120.528 120.500 0.034 0.000 2.091 304 R HA -0.063 4.277 4.340 -0.000 0.000 0.238 304 R C 2.546 178.841 176.300 -0.007 0.000 1.136 304 R CA 1.654 57.758 56.100 0.007 0.000 0.959 304 R CB -0.367 29.933 30.300 0.001 0.000 0.856 304 R HN 0.277 nan 8.270 nan 0.000 0.437 305 V N 0.757 120.670 119.914 -0.001 0.000 2.379 305 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 305 V C 2.043 178.128 176.094 -0.014 0.000 1.044 305 V CA 1.679 63.962 62.300 -0.029 0.000 1.036 305 V CB -0.710 31.071 31.823 -0.069 0.000 0.664 305 V HN 0.334 nan 8.190 nan 0.000 0.453 306 F N 2.458 122.350 119.950 -0.097 0.000 2.161 306 F HA -0.084 4.443 4.527 -0.000 0.000 0.300 306 F C 2.101 177.859 175.800 -0.069 0.000 1.089 306 F CA 1.499 59.445 58.000 -0.090 0.000 1.282 306 F CB -0.958 37.993 39.000 -0.083 0.000 1.010 306 F HN 0.131 nan 8.300 nan 0.000 0.485 307 G N 0.719 109.341 108.800 -0.298 0.000 2.442 307 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.219 307 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.219 307 G C 1.819 176.533 174.900 -0.310 0.000 1.141 307 G CA 0.587 45.466 45.100 -0.369 0.000 0.763 307 G HN 0.216 nan 8.290 nan 0.000 0.554 308 R N -0.215 120.164 120.500 -0.201 0.000 2.092 308 R HA 0.050 4.390 4.340 -0.000 0.000 0.231 308 R C 2.464 178.662 176.300 -0.170 0.000 1.119 308 R CA 0.802 56.813 56.100 -0.149 0.000 0.970 308 R CB -1.246 29.006 30.300 -0.080 0.000 0.864 308 R HN 0.467 nan 8.270 nan 0.000 0.440 309 L N 0.922 122.027 121.223 -0.197 0.000 2.017 309 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 309 L C 2.201 178.938 176.870 -0.221 0.000 1.073 309 L CA 2.182 56.924 54.840 -0.164 0.000 0.745 309 L CB -0.869 41.131 42.059 -0.099 0.000 0.894 309 L HN 0.141 nan 8.230 nan 0.000 0.432 310 A N -0.558 122.014 122.820 -0.412 0.000 1.908 310 A HA -0.245 4.074 4.320 -0.000 0.000 0.218 310 A C 2.518 179.962 177.584 -0.233 0.000 1.181 310 A CA 2.379 54.187 52.037 -0.382 0.000 0.627 310 A CB -1.281 17.335 19.000 -0.640 0.000 0.818 310 A HN 0.722 nan 8.150 nan 0.000 0.445 311 S N -0.033 115.535 115.700 -0.221 0.000 2.356 311 S HA -0.135 4.335 4.470 -0.000 0.000 0.223 311 S C 1.804 176.329 174.600 -0.126 0.000 1.032 311 S CA 1.507 59.614 58.200 -0.155 0.000 1.005 311 S CB -0.539 62.576 63.200 -0.142 0.000 0.867 311 S HN 0.337 nan 8.310 nan 0.000 0.449 312 I N 2.051 122.546 120.570 -0.125 0.000 2.315 312 I HA -0.008 4.162 4.170 -0.000 0.000 0.248 312 I C 2.484 178.543 176.117 -0.097 0.000 1.117 312 I CA 0.765 62.000 61.300 -0.110 0.000 1.404 312 I CB -1.498 36.437 38.000 -0.109 0.000 1.071 312 I HN 0.326 nan 8.210 nan 0.000 0.419 313 L N -0.376 120.792 121.223 -0.092 0.000 2.046 313 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 313 L C 2.628 179.457 176.870 -0.068 0.000 1.077 313 L CA 1.306 56.104 54.840 -0.071 0.000 0.747 313 L CB -0.496 41.527 42.059 -0.060 0.000 0.896 313 L HN 0.215 nan 8.230 nan 0.000 0.432 314 M N -0.610 118.944 119.600 -0.078 0.000 2.175 314 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 314 M C 2.060 178.319 176.300 -0.067 0.000 1.063 314 M CA 1.628 56.888 55.300 -0.068 0.000 1.119 314 M CB -0.210 32.346 32.600 -0.073 0.000 1.377 314 M HN -0.062 nan 8.290 nan 0.000 0.415 315 V N 0.251 120.118 119.914 -0.078 0.000 2.287 315 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 315 V C 2.338 178.385 176.094 -0.078 0.000 1.053 315 V CA 1.968 64.220 62.300 -0.080 0.000 1.027 315 V CB -0.776 30.993 31.823 -0.091 0.000 0.646 315 V HN 0.531 nan 8.190 nan 0.000 0.447 316 L N -0.656 120.521 121.223 -0.077 0.000 2.156 316 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 316 L C 1.532 178.369 176.870 -0.055 0.000 1.095 316 L CA 0.562 55.360 54.840 -0.070 0.000 0.770 316 L CB -0.395 41.623 42.059 -0.067 0.000 0.914 316 L HN 0.166 nan 8.230 nan 0.000 0.439 317 K N 1.592 121.963 120.400 -0.049 0.000 2.466 317 K HA -0.044 4.276 4.320 -0.000 0.000 0.278 317 K C 0.959 177.538 176.600 -0.036 0.000 1.048 317 K CA 1.048 57.312 56.287 -0.038 0.000 1.088 317 K CB 0.243 32.722 32.500 -0.035 0.000 0.884 317 K HN 0.330 nan 8.250 nan 0.000 0.478 318 G N 3.624 112.406 108.800 -0.030 0.000 2.168 318 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.263 318 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.263 318 G C 0.275 175.156 174.900 -0.033 0.000 0.977 318 G CA 0.424 45.507 45.100 -0.028 0.000 0.659 318 G HN 0.550 nan 8.290 nan 0.000 0.533 319 L N 1.955 123.153 121.223 -0.041 0.000 2.397 319 L HA 0.410 4.750 4.340 -0.000 0.000 0.271 319 L C -0.533 176.313 176.870 -0.039 0.000 1.148 319 L CA -1.589 53.221 54.840 -0.049 0.000 0.825 319 L CB 0.404 42.421 42.059 -0.069 0.000 1.117 319 L HN 0.117 nan 8.230 nan 0.000 0.456 320 P HA 0.258 nan 4.420 nan 0.000 0.281 320 P C -0.895 176.391 177.300 -0.023 0.000 1.281 320 P CA -0.597 62.488 63.100 -0.024 0.000 0.811 320 P CB 1.066 32.754 31.700 -0.020 0.000 1.154 321 S N -0.696 114.998 115.700 -0.010 0.000 2.601 321 S HA 0.332 4.802 4.470 -0.000 0.000 0.271 321 S C 0.871 175.476 174.600 0.008 0.000 1.305 321 S CA -0.232 57.969 58.200 0.001 0.000 1.022 321 S CB 0.817 64.022 63.200 0.007 0.000 0.940 321 S HN 0.519 nan 8.310 nan 0.000 0.525 322 T N 0.543 115.113 114.554 0.027 0.000 3.571 322 T HA 0.161 4.511 4.350 -0.000 0.000 0.217 322 T C -0.302 174.433 174.700 0.059 0.000 0.925 322 T CA 0.046 62.173 62.100 0.045 0.000 1.376 322 T CB -0.432 68.475 68.868 0.065 0.000 1.375 322 T HN 0.576 nan 8.240 nan 0.000 0.404 323 Y N 3.158 123.454 120.300 -0.007 0.000 2.319 323 Y HA 0.445 4.995 4.550 -0.000 0.000 0.328 323 Y C -0.270 175.624 175.900 -0.009 0.000 1.133 323 Y CA -0.632 57.463 58.100 -0.008 0.000 1.265 323 Y CB 0.365 38.818 38.460 -0.012 0.000 1.218 323 Y HN 0.175 nan 8.280 nan 0.000 0.508 324 N N 4.786 122.991 118.700 -0.825 0.000 2.242 324 N HA 0.127 4.867 4.740 -0.000 0.000 0.292 324 N C -0.035 175.012 175.510 -0.772 0.000 1.125 324 N CA -0.749 51.990 53.050 -0.519 0.000 0.783 324 N CB 2.128 40.448 38.487 -0.278 0.000 1.558 324 N HN 0.695 nan 8.380 nan 0.000 0.472 325 K N 0.806 121.016 120.400 -0.317 0.000 2.360 325 K HA -0.105 4.215 4.320 -0.000 0.000 0.201 325 K C 0.065 176.571 176.600 -0.157 0.000 1.046 325 K CA 1.527 57.724 56.287 -0.150 0.000 0.945 325 K CB 0.131 32.638 32.500 0.011 0.000 0.750 325 K HN 0.388 nan 8.250 nan 0.000 0.464 326 D N 1.019 121.310 120.400 -0.182 0.000 2.190 326 D HA -0.205 4.435 4.640 -0.000 0.000 0.200 326 D C 1.509 177.727 176.300 -0.138 0.000 0.992 326 D CA 1.161 55.081 54.000 -0.133 0.000 0.854 326 D CB -0.118 40.605 40.800 -0.129 0.000 0.936 326 D HN 0.259 nan 8.370 nan 0.000 0.462 327 L N 0.317 121.414 121.223 -0.209 0.000 2.349 327 L HA -0.179 4.161 4.340 -0.000 0.000 0.220 327 L C 2.057 178.894 176.870 -0.056 0.000 1.130 327 L CA 0.905 55.656 54.840 -0.148 0.000 0.791 327 L CB -0.508 41.438 42.059 -0.188 0.000 0.918 327 L HN 0.093 nan 8.230 nan 0.000 0.444 328 Q N -0.165 119.625 119.800 -0.017 0.000 2.439 328 Q HA -0.155 4.185 4.340 -0.000 0.000 0.211 328 Q C 1.599 177.599 176.000 -0.001 0.000 0.978 328 Q CA 0.615 56.443 55.803 0.041 0.000 0.897 328 Q CB 0.032 28.821 28.738 0.085 0.000 0.956 328 Q HN 0.450 nan 8.270 nan 0.000 0.483 329 E N 1.034 121.205 120.200 -0.048 0.000 2.478 329 E HA -0.143 4.206 4.350 -0.000 0.000 0.198 329 E C 1.231 177.757 176.600 -0.124 0.000 1.046 329 E CA 0.847 57.197 56.400 -0.083 0.000 0.870 329 E CB 0.052 29.700 29.700 -0.088 0.000 0.818 329 E HN 0.554 nan 8.360 nan 0.000 0.527 330 D N 1.139 121.469 120.400 -0.117 0.000 2.117 330 D HA -0.201 4.438 4.640 -0.000 0.000 0.197 330 D C 1.582 177.738 176.300 -0.240 0.000 0.987 330 D CA 1.101 55.007 54.000 -0.158 0.000 0.829 330 D CB -0.366 40.346 40.800 -0.146 0.000 0.961 330 D HN 0.069 nan 8.370 nan 0.000 0.460 331 K N 0.428 120.656 120.400 -0.287 0.000 2.001 331 K HA -0.173 4.146 4.320 -0.000 0.000 0.214 331 K C 2.342 178.451 176.600 -0.818 0.000 1.050 331 K CA 1.764 57.666 56.287 -0.642 0.000 0.934 331 K CB -0.217 32.073 32.500 -0.350 0.000 0.718 331 K HN 0.283 nan 8.250 nan 0.000 0.443 332 E N 0.271 120.167 120.200 -0.507 0.000 2.153 332 E HA -0.182 4.167 4.350 -0.000 0.000 0.194 332 E C 1.979 178.456 176.600 -0.205 0.000 0.988 332 E CA 0.987 57.144 56.400 -0.405 0.000 0.811 332 E CB -0.081 29.329 29.700 -0.483 0.000 0.746 332 E HN 0.359 nan 8.360 nan 0.000 0.466 333 A N 0.735 123.444 122.820 -0.185 0.000 1.897 333 A HA -0.107 4.212 4.320 -0.000 0.000 0.215 333 A C 2.470 180.066 177.584 0.020 0.000 1.181 333 A CA 0.939 52.928 52.037 -0.079 0.000 0.620 333 A CB -0.498 18.451 19.000 -0.086 0.000 0.821 333 A HN 0.109 nan 8.150 nan 0.000 0.443 334 V N -0.779 119.115 119.914 -0.034 0.000 2.307 334 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 334 V C 2.342 178.621 176.094 0.307 0.000 1.045 334 V CA 1.948 64.329 62.300 0.136 0.000 1.024 334 V CB -1.020 30.796 31.823 -0.011 0.000 0.651 334 V HN 0.641 nan 8.190 nan 0.000 0.449 335 F N 0.413 120.446 119.950 0.138 0.000 2.095 335 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 335 F C 2.526 178.406 175.800 0.135 0.000 1.104 335 F CA 1.494 59.574 58.000 0.134 0.000 1.232 335 F CB -0.346 38.661 39.000 0.013 0.000 0.987 335 F HN 0.268 nan 8.300 nan 0.000 0.475 336 D N 0.586 121.144 120.400 0.263 0.000 2.097 336 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 336 D C 2.099 178.504 176.300 0.175 0.000 0.989 336 D CA 1.221 55.318 54.000 0.163 0.000 0.827 336 D CB -0.281 40.564 40.800 0.074 0.000 0.966 336 D HN 0.029 nan 8.370 nan 0.000 0.456 337 V N -0.093 119.948 119.914 0.211 0.000 2.427 337 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 337 V C 2.708 178.989 176.094 0.311 0.000 1.051 337 V CA 1.178 63.603 62.300 0.209 0.000 1.048 337 V CB -0.311 31.627 31.823 0.192 0.000 0.666 337 V HN 0.131 nan 8.190 nan 0.000 0.456 338 V N 0.282 120.465 119.914 0.447 0.000 2.287 338 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 338 V C 2.312 178.566 176.094 0.267 0.000 1.053 338 V CA 2.327 64.875 62.300 0.414 0.000 1.027 338 V CB -0.663 31.392 31.823 0.387 0.000 0.646 338 V HN 0.567 nan 8.190 nan 0.000 0.447 339 D N -0.388 120.151 120.400 0.232 0.000 2.117 339 D HA -0.129 4.510 4.640 -0.000 0.000 0.197 339 D C 2.275 178.640 176.300 0.110 0.000 0.987 339 D CA 1.804 55.896 54.000 0.153 0.000 0.829 339 D CB -0.446 40.433 40.800 0.132 0.000 0.961 339 D HN 0.397 nan 8.370 nan 0.000 0.460 340 T N 1.352 115.970 114.554 0.106 0.000 2.674 340 T HA -0.086 4.263 4.350 -0.000 0.000 0.265 340 T C 2.239 176.967 174.700 0.046 0.000 1.039 340 T CA 0.631 62.767 62.100 0.060 0.000 1.150 340 T CB -0.354 68.541 68.868 0.044 0.000 0.864 340 T HN 0.114 nan 8.240 nan 0.000 0.427 341 L N 0.593 121.858 121.223 0.070 0.000 2.046 341 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 341 L C 2.943 179.852 176.870 0.065 0.000 1.077 341 L CA 1.263 56.138 54.840 0.058 0.000 0.747 341 L CB -1.106 41.017 42.059 0.106 0.000 0.896 341 L HN 0.307 nan 8.230 nan 0.000 0.432 342 T N -0.139 114.472 114.554 0.095 0.000 2.684 342 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 342 T C 1.951 176.595 174.700 -0.092 0.000 1.036 342 T CA 1.503 63.629 62.100 0.044 0.000 1.148 342 T CB -0.173 68.760 68.868 0.107 0.000 0.863 342 T HN 0.471 nan 8.240 nan 0.000 0.436 343 A N 0.699 123.502 122.820 -0.029 0.000 1.854 343 A HA 0.011 4.331 4.320 -0.000 0.000 0.214 343 A C 2.586 180.145 177.584 -0.041 0.000 1.192 343 A CA 1.153 53.168 52.037 -0.037 0.000 0.611 343 A CB -1.004 17.999 19.000 0.004 0.000 0.832 343 A HN 0.323 nan 8.150 nan 0.000 0.442 344 V N 0.297 120.196 119.914 -0.025 0.000 2.287 344 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 344 V C 2.606 178.669 176.094 -0.051 0.000 1.053 344 V CA 2.095 64.376 62.300 -0.032 0.000 1.027 344 V CB -0.780 31.024 31.823 -0.031 0.000 0.646 344 V HN 0.561 nan 8.190 nan 0.000 0.447 345 L N -0.748 120.447 121.223 -0.047 0.000 2.046 345 L HA -0.253 4.086 4.340 -0.000 0.000 0.208 345 L C 2.683 179.511 176.870 -0.070 0.000 1.077 345 L CA 1.718 56.536 54.840 -0.036 0.000 0.747 345 L CB -0.560 41.517 42.059 0.030 0.000 0.896 345 L HN 0.382 nan 8.230 nan 0.000 0.432 346 Q N -0.845 118.875 119.800 -0.133 0.000 2.079 346 Q HA -0.161 4.178 4.340 -0.000 0.000 0.200 346 Q C 2.357 178.317 176.000 -0.067 0.000 0.974 346 Q CA 1.302 57.034 55.803 -0.119 0.000 0.840 346 Q CB -0.107 28.517 28.738 -0.191 0.000 0.898 346 Q HN 0.345 nan 8.270 nan 0.000 0.430 347 V N 0.953 120.837 119.914 -0.050 0.000 2.343 347 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 347 V C 2.248 178.183 176.094 -0.265 0.000 1.051 347 V CA 1.805 64.068 62.300 -0.061 0.000 1.036 347 V CB -0.896 30.942 31.823 0.025 0.000 0.654 347 V HN 0.393 nan 8.190 nan 0.000 0.451 348 A N -0.390 122.326 122.820 -0.174 0.000 1.902 348 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 348 A C 2.402 179.862 177.584 -0.207 0.000 1.181 348 A CA 2.496 54.421 52.037 -0.188 0.000 0.623 348 A CB -0.968 17.959 19.000 -0.122 0.000 0.818 348 A HN 0.493 nan 8.150 nan 0.000 0.443 349 T N -0.231 114.232 114.554 -0.151 0.000 2.746 349 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 349 T C 1.964 176.559 174.700 -0.174 0.000 1.039 349 T CA 1.506 63.540 62.100 -0.109 0.000 1.142 349 T CB -0.640 68.206 68.868 -0.036 0.000 0.866 349 T HN 0.598 nan 8.240 nan 0.000 0.444 350 G N 1.027 109.647 108.800 -0.300 0.000 2.421 350 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 350 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 350 G C 1.714 176.176 174.900 -0.730 0.000 1.171 350 G CA 0.911 45.734 45.100 -0.461 0.000 0.775 350 G HN 0.424 nan 8.290 nan 0.000 0.543 351 V N 1.532 120.869 119.914 -0.961 0.000 2.255 351 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 351 V C 2.819 178.800 176.094 -0.188 0.000 1.051 351 V CA 1.390 63.360 62.300 -0.550 0.000 1.018 351 V CB -0.358 31.240 31.823 -0.375 0.000 0.641 351 V HN 0.281 nan 8.190 nan 0.000 0.445 352 I N 1.156 121.638 120.570 -0.145 0.000 2.226 352 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 352 I C 2.692 178.822 176.117 0.021 0.000 1.100 352 I CA 2.261 63.546 61.300 -0.025 0.000 1.374 352 I CB -1.411 36.565 38.000 -0.040 0.000 1.057 352 I HN 0.558 nan 8.210 nan 0.000 0.413 353 S N -0.033 115.661 115.700 -0.010 0.000 2.428 353 S HA -0.099 4.371 4.470 -0.000 0.000 0.230 353 S C 1.769 176.411 174.600 0.070 0.000 1.014 353 S CA 1.270 59.492 58.200 0.037 0.000 0.957 353 S CB -0.811 62.408 63.200 0.032 0.000 0.784 353 S HN 0.587 nan 8.310 nan 0.000 0.499 354 T N 0.152 114.750 114.554 0.073 0.000 3.069 354 T HA 0.430 4.780 4.350 -0.000 0.000 0.252 354 T C 0.444 175.218 174.700 0.125 0.000 1.053 354 T CA -0.453 61.722 62.100 0.125 0.000 0.964 354 T CB -0.760 68.239 68.868 0.217 0.000 1.005 354 T HN 0.417 nan 8.240 nan 0.000 0.532 355 L N 0.502 121.791 121.223 0.111 0.000 2.464 355 L HA 0.541 4.880 4.340 -0.000 0.000 0.264 355 L C -0.336 176.600 176.870 0.109 0.000 1.199 355 L CA -0.435 54.477 54.840 0.120 0.000 0.818 355 L CB 0.008 42.148 42.059 0.135 0.000 1.102 355 L HN 0.046 nan 8.230 nan 0.000 0.473 356 Q N 3.147 122.997 119.800 0.084 0.000 2.333 356 Q HA 0.612 4.952 4.340 -0.000 0.000 0.268 356 Q C -0.576 175.429 176.000 0.008 0.000 1.007 356 Q CA -0.564 55.269 55.803 0.049 0.000 0.810 356 Q CB 2.175 30.937 28.738 0.040 0.000 1.264 356 Q HN 0.780 nan 8.270 nan 0.000 0.452 357 I N -1.392 119.151 120.570 -0.045 0.000 2.677 357 I HA 0.532 4.702 4.170 -0.000 0.000 0.305 357 I C -0.013 176.021 176.117 -0.138 0.000 0.988 357 I CA -0.531 60.664 61.300 -0.174 0.000 1.260 357 I CB 1.688 39.437 38.000 -0.418 0.000 1.410 357 I HN 0.348 nan 8.210 nan 0.000 0.523 358 S N 2.790 118.397 115.700 -0.155 0.000 2.528 358 S HA 0.339 4.808 4.470 -0.000 0.000 0.303 358 S C 0.682 175.190 174.600 -0.153 0.000 1.123 358 S CA -0.762 57.379 58.200 -0.098 0.000 1.138 358 S CB 0.424 63.607 63.200 -0.028 0.000 0.984 358 S HN 0.770 nan 8.310 nan 0.000 0.474 359 K N 2.585 122.895 120.400 -0.150 0.000 2.097 359 K HA -0.145 4.174 4.320 -0.000 0.000 0.206 359 K C 1.885 178.412 176.600 -0.121 0.000 1.049 359 K CA 1.456 57.646 56.287 -0.161 0.000 0.933 359 K CB -0.017 32.419 32.500 -0.106 0.000 0.717 359 K HN 0.739 nan 8.250 nan 0.000 0.442 360 E N 1.066 121.220 120.200 -0.076 0.000 2.038 360 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 360 E C 1.633 178.207 176.600 -0.044 0.000 1.000 360 E CA 1.328 57.699 56.400 -0.049 0.000 0.803 360 E CB 0.107 29.790 29.700 -0.029 0.000 0.750 360 E HN 0.240 nan 8.360 nan 0.000 0.448 361 N N 0.048 118.737 118.700 -0.018 0.000 2.188 361 N HA -0.109 4.631 4.740 -0.000 0.000 0.184 361 N C 1.838 177.378 175.510 0.051 0.000 1.018 361 N CA 1.102 54.182 53.050 0.051 0.000 0.858 361 N CB -0.212 38.348 38.487 0.122 0.000 0.989 361 N HN 0.273 nan 8.380 nan 0.000 0.426 362 M N 0.603 120.121 119.600 -0.137 0.000 2.117 362 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 362 M C 2.160 178.268 176.300 -0.320 0.000 1.065 362 M CA 1.385 56.407 55.300 -0.464 0.000 1.114 362 M CB -0.201 32.038 32.600 -0.602 0.000 1.361 362 M HN 0.174 nan 8.290 nan 0.000 0.408 363 E N 0.852 120.923 120.200 -0.216 0.000 2.047 363 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 363 E C 1.757 178.251 176.600 -0.177 0.000 0.987 363 E CA 1.261 57.546 56.400 -0.191 0.000 0.799 363 E CB 0.069 29.705 29.700 -0.107 0.000 0.752 363 E HN 0.372 nan 8.360 nan 0.000 0.449 364 K N -0.080 120.261 120.400 -0.098 0.000 2.280 364 K HA -0.090 4.230 4.320 -0.000 0.000 0.202 364 K C 1.930 178.484 176.600 -0.077 0.000 1.047 364 K CA 0.747 56.995 56.287 -0.064 0.000 0.942 364 K CB -0.024 32.461 32.500 -0.025 0.000 0.739 364 K HN 0.184 nan 8.250 nan 0.000 0.457 365 A N 1.158 123.930 122.820 -0.080 0.000 2.119 365 A HA 0.013 4.332 4.320 -0.000 0.000 0.217 365 A C 0.926 178.401 177.584 -0.182 0.000 1.153 365 A CA 0.321 52.326 52.037 -0.053 0.000 0.692 365 A CB -0.224 18.842 19.000 0.110 0.000 0.799 365 A HN 0.129 nan 8.150 nan 0.000 0.458 366 L N 2.056 123.059 121.223 -0.366 0.000 2.418 366 L HA 0.254 4.594 4.340 -0.000 0.000 0.274 366 L C 0.550 177.193 176.870 -0.378 0.000 1.135 366 L CA -0.167 54.260 54.840 -0.688 0.000 0.870 366 L CB 0.505 41.630 42.059 -1.556 0.000 1.154 366 L HN 0.364 nan 8.230 nan 0.000 0.462 367 T N -0.307 114.203 114.554 -0.074 0.000 2.924 367 T HA 0.435 4.785 4.350 -0.000 0.000 0.291 367 T C -2.163 172.752 174.700 0.357 0.000 1.045 367 T CA -2.098 60.098 62.100 0.160 0.000 1.015 367 T CB 2.197 71.101 68.868 0.060 0.000 1.103 367 T HN 0.171 nan 8.240 nan 0.000 0.496 368 P HA -0.034 nan 4.420 nan 0.000 0.219 368 P C 1.070 178.469 177.300 0.165 0.000 1.146 368 P CA 0.868 64.084 63.100 0.193 0.000 0.808 368 P CB 0.064 31.793 31.700 0.049 0.000 0.779 369 E N -1.065 119.208 120.200 0.121 0.000 2.209 369 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 369 E C 1.643 178.313 176.600 0.115 0.000 0.993 369 E CA 1.108 57.565 56.400 0.094 0.000 0.819 369 E CB -0.924 28.812 29.700 0.061 0.000 0.745 369 E HN 0.331 nan 8.360 nan 0.000 0.477 370 M N -0.372 119.317 119.600 0.149 0.000 2.659 370 M HA 0.058 4.538 4.480 -0.000 0.000 0.243 370 M C 0.677 177.084 176.300 0.179 0.000 1.111 370 M CA 0.584 55.972 55.300 0.147 0.000 1.070 370 M CB 0.292 32.974 32.600 0.136 0.000 1.525 370 M HN 0.038 nan 8.290 nan 0.000 0.517 371 L N -1.174 120.157 121.223 0.179 0.000 2.808 371 L HA 0.307 4.647 4.340 -0.000 0.000 0.246 371 L C 2.246 179.171 176.870 0.092 0.000 1.153 371 L CA -0.304 54.614 54.840 0.130 0.000 0.956 371 L CB -0.247 41.878 42.059 0.111 0.000 1.270 371 L HN 0.197 nan 8.230 nan 0.000 0.528 372 A N 0.118 123.002 122.820 0.107 0.000 1.933 372 A HA -0.153 4.166 4.320 -0.000 0.000 0.218 372 A C 2.310 179.919 177.584 0.042 0.000 1.175 372 A CA 2.214 54.300 52.037 0.082 0.000 0.628 372 A CB -0.531 18.520 19.000 0.084 0.000 0.814 372 A HN 0.297 nan 8.150 nan 0.000 0.444 373 T N 0.265 114.860 114.554 0.067 0.000 2.777 373 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 373 T C 1.452 176.168 174.700 0.027 0.000 1.040 373 T CA 1.587 63.725 62.100 0.063 0.000 1.141 373 T CB -0.415 68.541 68.868 0.148 0.000 0.868 373 T HN 0.475 nan 8.240 nan 0.000 0.444 374 D N 0.895 121.319 120.400 0.039 0.000 2.178 374 D HA -0.039 4.601 4.640 -0.000 0.000 0.201 374 D C 1.911 178.194 176.300 -0.029 0.000 0.980 374 D CA 0.438 54.439 54.000 0.001 0.000 0.842 374 D CB -0.390 40.394 40.800 -0.027 0.000 0.948 374 D HN 0.184 nan 8.370 nan 0.000 0.472 375 L N 0.618 121.814 121.223 -0.045 0.000 2.093 375 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 375 L C 2.090 179.011 176.870 0.084 0.000 1.085 375 L CA 1.429 56.265 54.840 -0.007 0.000 0.755 375 L CB -0.676 41.398 42.059 0.025 0.000 0.904 375 L HN -0.019 nan 8.230 nan 0.000 0.435 376 A N -0.855 121.938 122.820 -0.045 0.000 1.898 376 A HA -0.127 4.192 4.320 -0.000 0.000 0.216 376 A C 2.236 179.762 177.584 -0.097 0.000 1.181 376 A CA 1.635 53.562 52.037 -0.183 0.000 0.620 376 A CB -0.795 17.813 19.000 -0.653 0.000 0.819 376 A HN 0.447 nan 8.150 nan 0.000 0.442 377 L N -1.817 119.381 121.223 -0.041 0.000 2.131 377 L HA -0.212 4.127 4.340 -0.000 0.000 0.210 377 L C 2.552 179.428 176.870 0.010 0.000 1.092 377 L CA 1.752 56.595 54.840 0.005 0.000 0.759 377 L CB -0.621 41.444 42.059 0.010 0.000 0.903 377 L HN 0.654 nan 8.230 nan 0.000 0.435 378 Y N 0.604 120.855 120.300 -0.081 0.000 2.181 378 Y HA -0.258 4.292 4.550 -0.000 0.000 0.288 378 Y C 2.294 178.133 175.900 -0.102 0.000 1.146 378 Y CA 1.584 59.637 58.100 -0.077 0.000 1.164 378 Y CB -0.103 38.328 38.460 -0.047 0.000 0.982 378 Y HN 0.006 nan 8.280 nan 0.000 0.515 379 L N -1.062 120.166 121.223 0.008 0.000 2.093 379 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 379 L C 2.384 179.155 176.870 -0.164 0.000 1.085 379 L CA 0.847 55.586 54.840 -0.167 0.000 0.755 379 L CB -0.674 41.277 42.059 -0.180 0.000 0.904 379 L HN 0.144 nan 8.230 nan 0.000 0.435 380 V N 0.130 119.989 119.914 -0.090 0.000 2.332 380 V HA -0.288 3.831 4.120 -0.000 0.000 0.248 380 V C 2.440 178.482 176.094 -0.086 0.000 1.055 380 V CA 1.777 64.051 62.300 -0.042 0.000 1.038 380 V CB -0.619 31.225 31.823 0.034 0.000 0.651 380 V HN 0.448 nan 8.190 nan 0.000 0.450 381 R N -0.101 120.315 120.500 -0.140 0.000 2.316 381 R HA -0.022 4.318 4.340 -0.000 0.000 0.202 381 R C 1.571 177.749 176.300 -0.203 0.000 1.029 381 R CA 0.418 56.422 56.100 -0.160 0.000 1.018 381 R CB -0.065 30.128 30.300 -0.178 0.000 0.888 381 R HN 0.367 nan 8.270 nan 0.000 0.471 382 K N -0.601 119.652 120.400 -0.245 0.000 2.358 382 K HA 0.153 4.473 4.320 -0.000 0.000 0.197 382 K C 1.003 177.515 176.600 -0.146 0.000 1.025 382 K CA 0.580 56.727 56.287 -0.234 0.000 1.104 382 K CB 1.368 33.679 32.500 -0.314 0.000 0.855 382 K HN 0.351 nan 8.250 nan 0.000 0.531 383 G N 0.826 109.558 108.800 -0.113 0.000 2.195 383 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.224 383 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.224 383 G C 0.167 175.034 174.900 -0.055 0.000 0.990 383 G CA -0.005 45.052 45.100 -0.071 0.000 0.639 383 G HN 0.081 nan 8.290 nan 0.000 0.514 384 V N 2.715 122.584 119.914 -0.074 0.000 2.585 384 V HA 0.344 4.464 4.120 -0.000 0.000 0.296 384 V C -1.205 174.886 176.094 -0.003 0.000 1.035 384 V CA -0.757 61.510 62.300 -0.055 0.000 1.084 384 V CB 0.987 32.753 31.823 -0.096 0.000 0.953 384 V HN 0.176 nan 8.190 nan 0.000 0.483 385 P HA 0.056 nan 4.420 nan 0.000 0.269 385 P C 0.592 177.973 177.300 0.135 0.000 1.209 385 P CA -0.232 62.916 63.100 0.081 0.000 0.776 385 P CB 0.392 32.131 31.700 0.065 0.000 0.876 386 F N 3.506 123.491 119.950 0.058 0.000 2.039 386 F HA -0.334 4.193 4.527 -0.000 0.000 0.296 386 F C 2.397 178.304 175.800 0.178 0.000 1.119 386 F CA 2.055 60.132 58.000 0.128 0.000 1.211 386 F CB -0.360 38.679 39.000 0.065 0.000 0.956 386 F HN 0.246 nan 8.300 nan 0.000 0.496 387 R N 0.903 121.399 120.500 -0.008 0.000 2.094 387 R HA -0.211 4.129 4.340 -0.000 0.000 0.239 387 R C 2.138 178.390 176.300 -0.081 0.000 1.137 387 R CA 2.491 58.517 56.100 -0.124 0.000 0.943 387 R CB -1.079 29.237 30.300 0.028 0.000 0.850 387 R HN 0.601 nan 8.270 nan 0.000 0.433 388 Q N -0.381 119.405 119.800 -0.023 0.000 2.119 388 Q HA -0.029 4.310 4.340 -0.000 0.000 0.201 388 Q C 2.170 178.147 176.000 -0.039 0.000 0.972 388 Q CA 1.529 57.320 55.803 -0.021 0.000 0.847 388 Q CB -0.156 28.575 28.738 -0.012 0.000 0.903 388 Q HN 0.457 nan 8.270 nan 0.000 0.433 389 A N 1.041 123.828 122.820 -0.054 0.000 1.902 389 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 389 A C 1.770 179.260 177.584 -0.156 0.000 1.181 389 A CA 1.309 53.286 52.037 -0.099 0.000 0.623 389 A CB -0.691 18.255 19.000 -0.090 0.000 0.818 389 A HN 0.378 nan 8.150 nan 0.000 0.443 390 H N -0.871 118.072 119.070 -0.212 0.000 2.395 390 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 390 H C 2.221 177.491 175.328 -0.097 0.000 1.070 390 H CA 1.728 57.659 56.048 -0.194 0.000 1.356 390 H CB -0.177 29.351 29.762 -0.390 0.000 1.401 390 H HN 0.463 nan 8.280 nan 0.000 0.524 391 T N 0.837 115.397 114.554 0.011 0.000 2.746 391 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 391 T C 2.332 177.053 174.700 0.034 0.000 1.039 391 T CA 1.072 63.181 62.100 0.015 0.000 1.142 391 T CB -0.303 68.567 68.868 0.003 0.000 0.866 391 T HN 0.418 nan 8.240 nan 0.000 0.444 392 A N 0.937 123.780 122.820 0.039 0.000 1.902 392 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 392 A C 2.569 180.241 177.584 0.147 0.000 1.181 392 A CA 2.091 54.190 52.037 0.103 0.000 0.623 392 A CB -1.087 17.974 19.000 0.101 0.000 0.818 392 A HN 0.445 nan 8.150 nan 0.000 0.443 393 S N -0.571 115.189 115.700 0.101 0.000 2.356 393 S HA -0.059 4.410 4.470 -0.000 0.000 0.223 393 S C 2.072 176.718 174.600 0.077 0.000 1.032 393 S CA 1.802 60.060 58.200 0.096 0.000 1.005 393 S CB -0.750 62.451 63.200 0.002 0.000 0.867 393 S HN 0.714 nan 8.310 nan 0.000 0.449 394 G N 1.061 109.899 108.800 0.063 0.000 2.442 394 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 394 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 394 G C 1.541 176.491 174.900 0.084 0.000 1.141 394 G CA 0.807 45.947 45.100 0.068 0.000 0.763 394 G HN 0.555 nan 8.290 nan 0.000 0.554 395 K N 0.477 120.925 120.400 0.081 0.000 2.148 395 K HA 0.104 4.423 4.320 -0.000 0.000 0.204 395 K C 2.930 179.591 176.600 0.102 0.000 1.050 395 K CA 0.812 57.156 56.287 0.095 0.000 0.942 395 K CB -0.147 32.401 32.500 0.081 0.000 0.724 395 K HN 0.279 nan 8.250 nan 0.000 0.446 396 A N 1.089 123.954 122.820 0.074 0.000 1.898 396 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 396 A C 2.361 179.954 177.584 0.016 0.000 1.181 396 A CA 1.275 53.321 52.037 0.015 0.000 0.620 396 A CB -0.620 18.367 19.000 -0.021 0.000 0.819 396 A HN 0.053 nan 8.150 nan 0.000 0.442 397 V N -0.149 119.794 119.914 0.049 0.000 2.343 397 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 397 V C 2.543 178.665 176.094 0.047 0.000 1.051 397 V CA 2.232 64.558 62.300 0.043 0.000 1.036 397 V CB -0.987 30.875 31.823 0.065 0.000 0.654 397 V HN 0.793 nan 8.190 nan 0.000 0.451 398 H N -0.331 118.739 119.070 -0.000 0.000 2.357 398 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 398 H C 2.375 177.695 175.328 -0.013 0.000 1.082 398 H CA 1.980 58.026 56.048 -0.003 0.000 1.342 398 H CB 0.065 29.830 29.762 0.004 0.000 1.389 398 H HN 0.375 nan 8.280 nan 0.000 0.511 399 L N 0.504 121.731 121.223 0.007 0.000 2.012 399 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 399 L C 2.816 179.619 176.870 -0.112 0.000 1.073 399 L CA 1.510 56.320 54.840 -0.049 0.000 0.748 399 L CB -0.638 41.416 42.059 -0.008 0.000 0.891 399 L HN 0.335 nan 8.230 nan 0.000 0.431 400 A N -0.237 122.524 122.820 -0.098 0.000 1.883 400 A HA -0.316 4.004 4.320 -0.000 0.000 0.217 400 A C 2.063 179.574 177.584 -0.122 0.000 1.186 400 A CA 2.020 53.992 52.037 -0.109 0.000 0.624 400 A CB -0.748 18.192 19.000 -0.101 0.000 0.822 400 A HN 0.572 nan 8.150 nan 0.000 0.444 401 E N 0.266 120.381 120.200 -0.142 0.000 2.049 401 E HA -0.190 4.160 4.350 -0.000 0.000 0.198 401 E C 2.116 178.609 176.600 -0.179 0.000 1.007 401 E CA 2.627 58.934 56.400 -0.154 0.000 0.809 401 E CB -0.777 28.818 29.700 -0.175 0.000 0.749 401 E HN 0.674 nan 8.360 nan 0.000 0.450 402 T N -2.051 112.346 114.554 -0.260 0.000 2.962 402 T HA -0.090 4.260 4.350 -0.000 0.000 0.270 402 T C 1.850 176.479 174.700 -0.118 0.000 1.088 402 T CA 1.373 63.354 62.100 -0.199 0.000 1.127 402 T CB -0.199 68.533 68.868 -0.226 0.000 0.883 402 T HN 0.127 nan 8.240 nan 0.000 0.493 403 K N 0.606 120.939 120.400 -0.112 0.000 2.393 403 K HA 0.311 4.631 4.320 -0.000 0.000 0.193 403 K C 1.433 177.986 176.600 -0.078 0.000 1.026 403 K CA 0.506 56.743 56.287 -0.085 0.000 1.064 403 K CB -0.369 32.080 32.500 -0.085 0.000 0.833 403 K HN 0.496 nan 8.250 nan 0.000 0.521 404 G N 1.680 110.431 108.800 -0.082 0.000 2.160 404 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.251 404 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.251 404 G C 0.118 174.976 174.900 -0.070 0.000 1.008 404 G CA 0.854 45.913 45.100 -0.069 0.000 0.724 404 G HN 0.476 nan 8.290 nan 0.000 0.514 405 I N -3.603 116.917 120.570 -0.083 0.000 3.595 405 I HA 0.956 5.126 4.170 -0.000 0.000 0.289 405 I C 0.358 176.416 176.117 -0.098 0.000 1.145 405 I CA -0.658 60.588 61.300 -0.090 0.000 1.071 405 I CB 1.679 39.617 38.000 -0.105 0.000 1.364 405 I HN 0.195 nan 8.210 nan 0.000 0.486 406 T N -1.164 113.319 114.554 -0.119 0.000 2.940 406 T HA 0.450 4.800 4.350 -0.000 0.000 0.288 406 T C 1.195 175.773 174.700 -0.205 0.000 1.033 406 T CA -0.491 61.533 62.100 -0.126 0.000 1.033 406 T CB 1.781 70.587 68.868 -0.103 0.000 1.079 406 T HN 0.775 nan 8.240 nan 0.000 0.496 407 I N 0.210 120.665 120.570 -0.193 0.000 2.315 407 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 407 I C 1.956 177.631 176.117 -0.737 0.000 1.125 407 I CA 1.641 62.775 61.300 -0.277 0.000 1.392 407 I CB -0.784 37.177 38.000 -0.064 0.000 1.065 407 I HN 0.694 nan 8.210 nan 0.000 0.424 408 N N 2.049 120.199 118.700 -0.916 0.000 2.550 408 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 408 N C 1.168 176.177 175.510 -0.835 0.000 1.110 408 N CA 0.884 53.000 53.050 -1.557 0.000 0.912 408 N CB -0.290 37.711 38.487 -0.811 0.000 0.968 408 N HN 0.579 nan 8.380 nan 0.000 0.448 409 K N -0.026 120.064 120.400 -0.517 0.000 2.374 409 K HA 0.310 4.630 4.320 -0.000 0.000 0.202 409 K C 0.124 176.568 176.600 -0.260 0.000 1.040 409 K CA -0.303 55.794 56.287 -0.317 0.000 1.085 409 K CB 0.763 33.135 32.500 -0.213 0.000 0.873 409 K HN 0.071 nan 8.250 nan 0.000 0.539 410 L N 2.237 123.278 121.223 -0.304 0.000 2.461 410 L HA 0.024 4.364 4.340 -0.000 0.000 0.272 410 L C 0.895 177.650 176.870 -0.192 0.000 1.197 410 L CA -0.200 54.508 54.840 -0.220 0.000 0.836 410 L CB 0.698 42.620 42.059 -0.228 0.000 1.105 410 L HN 0.156 nan 8.230 nan 0.000 0.477 411 S N 1.969 117.587 115.700 -0.137 0.000 2.645 411 S HA 0.141 4.611 4.470 -0.000 0.000 0.266 411 S C 0.768 175.308 174.600 -0.101 0.000 1.258 411 S CA -0.748 57.390 58.200 -0.104 0.000 0.990 411 S CB 1.159 64.315 63.200 -0.073 0.000 0.967 411 S HN 0.553 nan 8.310 nan 0.000 0.556 412 L N 0.860 122.042 121.223 -0.068 0.000 2.046 412 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 412 L C 2.511 179.362 176.870 -0.031 0.000 1.077 412 L CA 2.134 56.946 54.840 -0.047 0.000 0.747 412 L CB -1.229 40.824 42.059 -0.010 0.000 0.896 412 L HN 1.006 nan 8.230 nan 0.000 0.432 413 E N -0.870 119.315 120.200 -0.025 0.000 2.110 413 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 413 E C 1.700 178.288 176.600 -0.020 0.000 0.988 413 E CA 1.314 57.708 56.400 -0.010 0.000 0.804 413 E CB 0.026 29.719 29.700 -0.012 0.000 0.745 413 E HN 0.557 nan 8.360 nan 0.000 0.458 414 D N 0.412 120.782 120.400 -0.050 0.000 2.092 414 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 414 D C 2.125 178.382 176.300 -0.072 0.000 0.994 414 D CA 0.931 54.894 54.000 -0.062 0.000 0.828 414 D CB -0.283 40.461 40.800 -0.094 0.000 0.963 414 D HN 0.241 nan 8.370 nan 0.000 0.450 415 L N 0.634 121.774 121.223 -0.140 0.000 2.012 415 L HA -0.179 4.160 4.340 -0.000 0.000 0.210 415 L C 2.402 179.306 176.870 0.057 0.000 1.073 415 L CA 1.267 55.958 54.840 -0.249 0.000 0.748 415 L CB -0.341 41.370 42.059 -0.579 0.000 0.891 415 L HN -0.024 nan 8.230 nan 0.000 0.431 416 K N -0.021 120.441 120.400 0.104 0.000 2.211 416 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 416 K C 2.221 178.895 176.600 0.122 0.000 1.047 416 K CA 1.577 57.963 56.287 0.165 0.000 0.935 416 K CB -0.225 32.339 32.500 0.107 0.000 0.728 416 K HN 0.406 nan 8.250 nan 0.000 0.452 417 S N 0.485 116.231 115.700 0.076 0.000 2.474 417 S HA -0.066 4.404 4.470 -0.000 0.000 0.235 417 S C 1.771 176.420 174.600 0.081 0.000 0.997 417 S CA 0.752 58.987 58.200 0.060 0.000 0.949 417 S CB -0.294 62.925 63.200 0.032 0.000 0.766 417 S HN 0.226 nan 8.310 nan 0.000 0.517 418 I N 0.163 120.809 120.570 0.127 0.000 2.810 418 I HA 0.205 4.375 4.170 -0.000 0.000 0.262 418 I C 0.917 177.145 176.117 0.185 0.000 1.131 418 I CA 0.361 61.756 61.300 0.158 0.000 1.453 418 I CB 0.392 38.512 38.000 0.199 0.000 1.161 418 I HN 0.346 nan 8.210 nan 0.000 0.444 419 S N 0.677 116.536 115.700 0.266 0.000 2.592 419 S HA 0.318 4.787 4.470 -0.000 0.000 0.275 419 S C -2.298 172.389 174.600 0.146 0.000 1.169 419 S CA -1.062 57.220 58.200 0.136 0.000 0.958 419 S CB 1.627 64.800 63.200 -0.045 0.000 1.095 419 S HN -0.139 nan 8.310 nan 0.000 0.471 420 P HA -0.048 nan 4.420 nan 0.000 0.230 420 P C 0.811 178.139 177.300 0.047 0.000 1.158 420 P CA 0.643 63.786 63.100 0.070 0.000 0.769 420 P CB 0.210 31.933 31.700 0.038 0.000 0.807 421 Q N -0.846 118.929 119.800 -0.041 0.000 2.436 421 Q HA 0.014 4.353 4.340 -0.000 0.000 0.209 421 Q C 0.399 176.388 176.000 -0.018 0.000 0.965 421 Q CA 0.465 56.211 55.803 -0.094 0.000 0.910 421 Q CB -0.563 28.049 28.738 -0.209 0.000 0.980 421 Q HN 0.331 nan 8.270 nan 0.000 0.491 422 F N 0.777 120.814 119.950 0.146 0.000 2.472 422 F HA 0.110 4.637 4.527 -0.000 0.000 0.364 422 F C 0.824 176.699 175.800 0.125 0.000 1.090 422 F CA -0.073 58.029 58.000 0.169 0.000 1.188 422 F CB 0.737 39.767 39.000 0.049 0.000 1.105 422 F HN -0.304 nan 8.300 nan 0.000 0.536 423 S N 0.379 116.303 115.700 0.374 0.000 2.726 423 S HA 0.235 4.705 4.470 -0.000 0.000 0.308 423 S C 0.971 175.670 174.600 0.166 0.000 1.115 423 S CA -0.281 58.053 58.200 0.224 0.000 0.965 423 S CB 1.645 64.964 63.200 0.198 0.000 1.145 423 S HN 0.653 nan 8.310 nan 0.000 0.532 424 S N 1.256 117.020 115.700 0.106 0.000 2.419 424 S HA -0.192 4.278 4.470 -0.000 0.000 0.235 424 S C 1.230 175.868 174.600 0.064 0.000 1.019 424 S CA 1.714 59.953 58.200 0.065 0.000 0.982 424 S CB -0.746 62.483 63.200 0.047 0.000 0.789 424 S HN 0.830 nan 8.310 nan 0.000 0.490 425 D N 1.431 121.896 120.400 0.107 0.000 2.350 425 D HA -0.024 4.616 4.640 -0.000 0.000 0.216 425 D C 1.721 178.070 176.300 0.081 0.000 0.968 425 D CA 0.601 54.667 54.000 0.111 0.000 0.894 425 D CB -0.748 40.142 40.800 0.150 0.000 0.909 425 D HN 0.399 nan 8.370 nan 0.000 0.520 426 V N 1.361 121.257 119.914 -0.028 0.000 2.688 426 V HA -0.247 3.873 4.120 -0.000 0.000 0.256 426 V C 2.316 178.257 176.094 -0.256 0.000 1.084 426 V CA 2.249 64.293 62.300 -0.427 0.000 1.103 426 V CB -0.796 30.710 31.823 -0.528 0.000 0.688 426 V HN 0.448 nan 8.190 nan 0.000 0.480 427 S N -0.918 114.755 115.700 -0.046 0.000 2.442 427 S HA -0.262 4.208 4.470 -0.000 0.000 0.236 427 S C 1.741 176.344 174.600 0.006 0.000 1.007 427 S CA 1.497 59.744 58.200 0.078 0.000 0.965 427 S CB -0.477 62.759 63.200 0.060 0.000 0.773 427 S HN 0.781 nan 8.310 nan 0.000 0.504 428 Q N 0.459 120.224 119.800 -0.059 0.000 2.369 428 Q HA 0.063 4.403 4.340 -0.000 0.000 0.206 428 Q C 2.032 177.936 176.000 -0.160 0.000 0.963 428 Q CA 0.954 56.718 55.803 -0.065 0.000 0.894 428 Q CB -0.319 28.409 28.738 -0.017 0.000 0.965 428 Q HN 0.519 nan 8.270 nan 0.000 0.475 429 V N 0.109 119.815 119.914 -0.347 0.000 2.427 429 V HA -0.185 3.934 4.120 -0.000 0.000 0.248 429 V C 0.864 176.599 176.094 -0.597 0.000 1.051 429 V CA 1.337 63.313 62.300 -0.541 0.000 1.048 429 V CB -0.319 30.940 31.823 -0.941 0.000 0.666 429 V HN 0.274 nan 8.190 nan 0.000 0.456 430 F N 1.879 121.719 119.950 -0.184 0.000 2.640 430 F HA 0.362 4.889 4.527 -0.000 0.000 0.354 430 F C 0.603 176.209 175.800 -0.324 0.000 1.213 430 F CA 0.049 57.888 58.000 -0.269 0.000 1.314 430 F CB -0.345 38.521 39.000 -0.224 0.000 1.679 430 F HN 0.117 nan 8.300 nan 0.000 0.622 431 N N 0.977 119.512 118.700 -0.274 0.000 2.503 431 N HA 0.114 4.854 4.740 -0.000 0.000 0.287 431 N C 0.045 175.402 175.510 -0.256 0.000 1.096 431 N CA -0.439 52.465 53.050 -0.244 0.000 0.936 431 N CB 0.735 39.166 38.487 -0.094 0.000 1.570 431 N HN 0.182 nan 8.380 nan 0.000 0.504 432 F N 1.543 121.518 119.950 0.041 0.000 2.293 432 F HA -0.062 4.465 4.527 -0.000 0.000 0.300 432 F C 2.206 178.029 175.800 0.038 0.000 1.086 432 F CA 0.575 58.596 58.000 0.036 0.000 1.375 432 F CB 0.350 39.363 39.000 0.023 0.000 1.045 432 F HN 0.314 nan 8.300 nan 0.000 0.516 433 V N 0.055 120.070 119.914 0.168 0.000 2.379 433 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 433 V C 1.983 178.130 176.094 0.087 0.000 1.044 433 V CA 1.650 64.021 62.300 0.119 0.000 1.036 433 V CB -0.577 31.296 31.823 0.084 0.000 0.664 433 V HN 0.293 nan 8.190 nan 0.000 0.453 434 N N 0.052 118.779 118.700 0.045 0.000 2.205 434 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 434 N C 2.117 177.647 175.510 0.034 0.000 1.015 434 N CA 1.699 54.760 53.050 0.018 0.000 0.862 434 N CB -0.495 37.977 38.487 -0.024 0.000 0.986 434 N HN 0.433 nan 8.380 nan 0.000 0.429 435 S N 0.442 116.181 115.700 0.065 0.000 2.351 435 S HA -0.116 4.354 4.470 -0.000 0.000 0.220 435 S C 2.094 176.830 174.600 0.226 0.000 1.035 435 S CA 1.827 60.103 58.200 0.127 0.000 1.031 435 S CB -0.417 62.897 63.200 0.190 0.000 0.928 435 S HN 0.228 nan 8.310 nan 0.000 0.433 436 V N -0.037 120.017 119.914 0.233 0.000 2.626 436 V HA 0.069 4.189 4.120 -0.000 0.000 0.252 436 V C 1.967 178.223 176.094 0.270 0.000 1.067 436 V CA 1.626 64.101 62.300 0.291 0.000 1.081 436 V CB -0.883 31.047 31.823 0.178 0.000 0.686 436 V HN 0.298 nan 8.190 nan 0.000 0.468 437 E N 0.749 121.035 120.200 0.144 0.000 2.478 437 E HA -0.115 4.235 4.350 -0.000 0.000 0.198 437 E C 2.174 178.783 176.600 0.015 0.000 1.046 437 E CA 0.798 57.247 56.400 0.082 0.000 0.870 437 E CB -0.150 29.579 29.700 0.049 0.000 0.818 437 E HN 0.802 nan 8.360 nan 0.000 0.527 438 Q N -0.620 119.141 119.800 -0.066 0.000 2.297 438 Q HA -0.090 4.250 4.340 -0.000 0.000 0.204 438 Q C 0.169 175.945 176.000 -0.373 0.000 0.962 438 Q CA 0.656 56.287 55.803 -0.285 0.000 0.879 438 Q CB -0.042 28.373 28.738 -0.539 0.000 0.947 438 Q HN 0.356 nan 8.270 nan 0.000 0.462 439 Y N 0.867 121.183 120.300 0.026 0.000 2.830 439 Y HA 0.052 4.602 4.550 -0.000 0.000 0.371 439 Y C 1.432 177.343 175.900 0.017 0.000 1.246 439 Y CA 0.095 58.209 58.100 0.023 0.000 1.890 439 Y CB -0.287 38.190 38.460 0.028 0.000 1.995 439 Y HN 0.102 nan 8.280 nan 0.000 0.430 440 T N -2.688 111.905 114.554 0.064 0.000 3.067 440 T HA 0.237 4.587 4.350 -0.000 0.000 0.257 440 T C 1.151 175.878 174.700 0.045 0.000 1.105 440 T CA 0.155 62.284 62.100 0.048 0.000 1.104 440 T CB -0.032 68.844 68.868 0.013 0.000 0.925 440 T HN 0.403 nan 8.240 nan 0.000 0.498 441 A N 2.028 124.877 122.820 0.050 0.000 2.531 441 A HA 0.464 4.784 4.320 -0.000 0.000 0.236 441 A C 0.524 178.138 177.584 0.049 0.000 1.062 441 A CA -0.487 51.575 52.037 0.042 0.000 0.760 441 A CB -0.386 18.642 19.000 0.047 0.000 0.995 441 A HN 0.618 nan 8.150 nan 0.000 0.501 442 L N 1.233 122.474 121.223 0.031 0.000 2.615 442 L HA 0.087 4.427 4.340 -0.000 0.000 0.284 442 L C 1.405 178.289 176.870 0.025 0.000 1.237 442 L CA 1.290 56.145 54.840 0.024 0.000 0.905 442 L CB -0.072 41.994 42.059 0.013 0.000 1.149 442 L HN 1.410 nan 8.230 nan 0.000 0.499 443 A N 2.022 124.853 122.820 0.018 0.000 3.469 443 A HA -0.116 4.204 4.320 -0.000 0.000 0.244 443 A C 0.788 178.380 177.584 0.014 0.000 1.181 443 A CA 0.482 52.523 52.037 0.006 0.000 1.418 443 A CB -2.252 nan 19.000 nan 0.000 1.060 443 A HN 0.912 nan 8.150 nan 0.000 0.897 444 G N -1.496 107.334 108.800 0.049 0.000 2.588 444 G HA2 0.454 4.414 3.960 -0.000 0.000 0.281 444 G HA3 0.454 4.414 3.960 -0.000 0.000 0.281 444 G C 0.745 175.680 174.900 0.058 0.000 1.236 444 G CA 0.890 46.037 45.100 0.079 0.000 0.969 444 G HN 0.911 nan 8.290 nan 0.000 0.504 445 T N -0.576 114.011 114.554 0.055 0.000 3.129 445 T HA 0.410 4.760 4.350 -0.000 0.000 0.251 445 T C 1.258 176.021 174.700 0.106 0.000 1.117 445 T CA 0.601 62.727 62.100 0.043 0.000 1.034 445 T CB -0.849 68.001 68.868 -0.031 0.000 0.968 445 T HN 0.802 nan 8.240 nan 0.000 0.526 446 A N 1.021 123.931 122.820 0.150 0.000 2.466 446 A HA 0.315 4.634 4.320 -0.000 0.000 0.238 446 A C 1.557 179.189 177.584 0.080 0.000 1.074 446 A CA -0.102 52.009 52.037 0.124 0.000 0.774 446 A CB 0.155 19.220 19.000 0.108 0.000 1.015 446 A HN 0.525 nan 8.150 nan 0.000 0.498 447 K N 0.835 121.276 120.400 0.069 0.000 2.074 447 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 447 K C 2.221 178.846 176.600 0.042 0.000 1.048 447 K CA 2.167 58.487 56.287 0.054 0.000 0.926 447 K CB -0.209 32.321 32.500 0.050 0.000 0.713 447 K HN 0.891 nan 8.250 nan 0.000 0.444 448 S N -0.334 115.389 115.700 0.040 0.000 2.382 448 S HA -0.118 4.351 4.470 -0.000 0.000 0.228 448 S C 2.037 176.654 174.600 0.029 0.000 1.027 448 S CA 1.655 59.874 58.200 0.030 0.000 0.991 448 S CB -0.294 62.922 63.200 0.027 0.000 0.823 448 S HN 0.249 nan 8.310 nan 0.000 0.469 449 S N 1.226 116.948 115.700 0.037 0.000 2.383 449 S HA 0.038 4.508 4.470 -0.000 0.000 0.227 449 S C 1.935 176.548 174.600 0.021 0.000 1.026 449 S CA 1.081 59.300 58.200 0.033 0.000 0.981 449 S CB -0.491 62.739 63.200 0.050 0.000 0.818 449 S HN 0.430 nan 8.310 nan 0.000 0.472 450 V N 1.697 121.625 119.914 0.025 0.000 2.358 450 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 450 V C 2.495 178.595 176.094 0.009 0.000 1.047 450 V CA 1.909 64.217 62.300 0.013 0.000 1.035 450 V CB -1.197 30.639 31.823 0.023 0.000 0.658 450 V HN 0.482 nan 8.190 nan 0.000 0.452 451 T N -0.509 114.055 114.554 0.017 0.000 2.746 451 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 451 T C 1.980 176.684 174.700 0.008 0.000 1.039 451 T CA 2.095 64.203 62.100 0.014 0.000 1.142 451 T CB -0.336 68.542 68.868 0.018 0.000 0.866 451 T HN 0.519 nan 8.240 nan 0.000 0.444 452 T N 2.184 116.743 114.554 0.008 0.000 2.746 452 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 452 T C 2.165 176.863 174.700 -0.003 0.000 1.039 452 T CA 1.198 63.300 62.100 0.004 0.000 1.142 452 T CB -0.277 68.595 68.868 0.006 0.000 0.866 452 T HN 0.488 nan 8.240 nan 0.000 0.444 453 Q N 0.156 119.952 119.800 -0.007 0.000 2.084 453 Q HA -0.030 4.309 4.340 -0.000 0.000 0.202 453 Q C 2.358 178.347 176.000 -0.019 0.000 0.978 453 Q CA 1.276 57.068 55.803 -0.018 0.000 0.844 453 Q CB -0.378 28.344 28.738 -0.027 0.000 0.898 453 Q HN 0.508 nan 8.270 nan 0.000 0.426 454 I N 0.801 121.362 120.570 -0.014 0.000 2.208 454 I HA -0.273 3.896 4.170 -0.000 0.000 0.245 454 I C 2.196 178.308 176.117 -0.008 0.000 1.097 454 I CA 0.971 62.263 61.300 -0.013 0.000 1.363 454 I CB -0.135 37.862 38.000 -0.005 0.000 1.051 454 I HN 0.174 nan 8.210 nan 0.000 0.413 455 E N 0.448 120.645 120.200 -0.005 0.000 2.072 455 E HA -0.200 4.150 4.350 -0.000 0.000 0.190 455 E C 2.174 178.770 176.600 -0.006 0.000 0.982 455 E CA 1.060 57.458 56.400 -0.003 0.000 0.803 455 E CB -0.277 29.423 29.700 0.000 0.000 0.755 455 E HN 0.582 nan 8.360 nan 0.000 0.453 456 Q N 0.216 120.011 119.800 -0.008 0.000 2.084 456 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 456 Q C 2.401 178.394 176.000 -0.013 0.000 0.978 456 Q CA 0.938 56.735 55.803 -0.010 0.000 0.844 456 Q CB -0.092 28.638 28.738 -0.012 0.000 0.898 456 Q HN 0.245 nan 8.270 nan 0.000 0.426 457 L N -0.119 121.094 121.223 -0.017 0.000 2.109 457 L HA -0.129 4.210 4.340 -0.000 0.000 0.207 457 L C 2.417 179.279 176.870 -0.013 0.000 1.086 457 L CA 0.885 55.713 54.840 -0.019 0.000 0.760 457 L CB -0.246 41.796 42.059 -0.028 0.000 0.910 457 L HN 0.139 nan 8.230 nan 0.000 0.437 458 R N -0.154 120.340 120.500 -0.010 0.000 2.096 458 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 458 R C 2.223 178.520 176.300 -0.005 0.000 1.127 458 R CA 1.368 57.464 56.100 -0.006 0.000 0.968 458 R CB -0.108 30.190 30.300 -0.003 0.000 0.861 458 R HN 0.176 nan 8.270 nan 0.000 0.440 459 E N 0.833 121.029 120.200 -0.006 0.000 2.107 459 E HA -0.080 4.269 4.350 -0.000 0.000 0.191 459 E C 1.773 178.370 176.600 -0.006 0.000 0.982 459 E CA 0.969 57.366 56.400 -0.005 0.000 0.809 459 E CB -0.094 29.603 29.700 -0.005 0.000 0.756 459 E HN 0.225 nan 8.360 nan 0.000 0.459 460 L N -0.264 120.955 121.223 -0.007 0.000 2.046 460 L HA -0.155 4.184 4.340 -0.000 0.000 0.208 460 L C 2.601 179.467 176.870 -0.005 0.000 1.077 460 L CA 1.269 56.105 54.840 -0.007 0.000 0.747 460 L CB -0.359 41.695 42.059 -0.009 0.000 0.896 460 L HN 0.256 nan 8.230 nan 0.000 0.432 461 M N -0.632 118.965 119.600 -0.005 0.000 2.159 461 M HA -0.251 4.229 4.480 -0.000 0.000 0.263 461 M C 2.372 178.669 176.300 -0.005 0.000 1.063 461 M CA 1.660 56.958 55.300 -0.004 0.000 1.110 461 M CB -0.365 32.233 32.600 -0.003 0.000 1.374 461 M HN 0.156 nan 8.290 nan 0.000 0.411 462 K N 0.857 121.254 120.400 -0.005 0.000 2.026 462 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 462 K C 1.862 178.458 176.600 -0.007 0.000 1.048 462 K CA 1.396 57.679 56.287 -0.006 0.000 0.929 462 K CB 0.078 32.575 32.500 -0.005 0.000 0.713 462 K HN 0.243 nan 8.250 nan 0.000 0.439 463 K N 0.384 120.780 120.400 -0.007 0.000 2.057 463 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 463 K C 2.323 178.917 176.600 -0.010 0.000 1.049 463 K CA 1.749 58.032 56.287 -0.008 0.000 0.931 463 K CB -0.084 32.412 32.500 -0.006 0.000 0.714 463 K HN 0.315 nan 8.250 nan 0.000 0.440 464 Q N 0.730 120.524 119.800 -0.009 0.000 2.119 464 Q HA -0.138 4.202 4.340 -0.000 0.000 0.201 464 Q C 2.067 178.057 176.000 -0.016 0.000 0.972 464 Q CA 1.143 56.939 55.803 -0.011 0.000 0.847 464 Q CB -0.028 28.706 28.738 -0.006 0.000 0.903 464 Q HN 0.216 nan 8.270 nan 0.000 0.433 465 K N 1.315 121.707 120.400 -0.014 0.000 2.097 465 K HA -0.216 4.104 4.320 -0.000 0.000 0.206 465 K C 1.944 178.531 176.600 -0.021 0.000 1.049 465 K CA 1.631 57.907 56.287 -0.017 0.000 0.933 465 K CB 0.105 32.596 32.500 -0.014 0.000 0.717 465 K HN 0.303 nan 8.250 nan 0.000 0.442 466 E N -0.780 119.409 120.200 -0.018 0.000 2.299 466 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 466 E C 2.065 178.653 176.600 -0.021 0.000 0.998 466 E CA 0.855 57.245 56.400 -0.018 0.000 0.851 466 E CB -0.159 29.533 29.700 -0.014 0.000 0.795 466 E HN 0.361 nan 8.360 nan 0.000 0.492 467 Q N 1.516 121.303 119.800 -0.021 0.000 2.172 467 Q HA 0.259 4.599 4.340 -0.000 0.000 0.200 467 Q C 1.542 177.523 176.000 -0.031 0.000 0.964 467 Q CA 1.103 56.892 55.803 -0.023 0.000 0.855 467 Q CB -0.434 28.291 28.738 -0.021 0.000 0.918 467 Q HN 0.533 nan 8.270 nan 0.000 0.444 468 A N 0.000 122.799 122.820 -0.035 0.000 2.254 468 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 468 A CA 0.000 52.010 52.037 -0.044 0.000 0.836 468 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 468 A HN 0.000 nan 8.150 nan 0.000 0.486