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 1nqf_1_A DATA FIRST_RESID 7 DATA SEQUENCE TLVVTANRFE QPRSTVLAPT TVVTRQDIDR WQSTSVNDVL RRLPGVDITQ DATA SEQUENCE NGGSGQLSSI FIRGTNASHV LVLIDGVRLN LAGVSGSADL SQFPIALVQR DATA SEQUENCE VEYIRGPRSA VYGSDAIGGV VNIITTRDEP GTEISAGWGS NSYQNYDVST DATA SEQUENCE QQQLGDKTRV TLLGDYAHTH XXXXXXXXXX XXXXXXXXXG FLSKTLYGAL DATA SEQUENCE EHNFTDAWSG FVRGYGYDNR TNXXXXXXXX XXXXDTRKLY SQSWDAGLRY DATA SEQUENCE NGELIKSQLI TSYSHSKDYN YXXXXXXXXX XATLDEXKQY TVQWANNVIV DATA SEQUENCE GHGSIGAGVD XQXQXTTPGT GXXXDGYDQR NTGIYLTGLQ QVGDFTFEGA DATA SEQUENCE ARSDDNSQFG RHGTWQTSAG WEFIEGYRFI ASYGTSYKAP NLGQLYGFYG DATA SEQUENCE NPNLDPEKSK QWEGAFEGLT AGVNWRISGY RNDVSDLIDY DDHTLKYYNE DATA SEQUENCE GKARIKGVEA TANFDTGPLT HTVSYDYVDA RNAITDTPLL RRAKQQVKYQ DATA SEQUENCE LDWQLYDFDX GXTXQYLGTR YDKDYSSYPY QTVKXGGVSL WDLAVAYPVT DATA SEQUENCE SHLTVRGKIA NLFDKDYETV YGYQTAGREY TLSGSYTF 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.690 174.700 -0.017 0.000 1.109 7 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 7 T CB 0.000 68.854 68.868 -0.024 0.000 0.612 8 L N 3.324 124.539 121.223 -0.013 0.000 2.292 8 L HA 0.717 5.054 4.340 -0.005 0.000 0.284 8 L C -0.103 176.765 176.870 -0.004 0.000 1.065 8 L CA -0.474 54.363 54.840 -0.005 0.000 0.806 8 L CB 1.383 43.441 42.059 -0.001 0.000 1.175 8 L HN 0.199 nan 8.230 nan 0.000 0.431 9 V N 2.176 122.092 119.914 0.004 0.000 2.841 9 V HA 0.603 4.720 4.120 -0.005 0.000 0.310 9 V C -0.110 175.996 176.094 0.020 0.000 1.090 9 V CA -0.572 61.731 62.300 0.005 0.000 0.930 9 V CB 1.848 33.670 31.823 -0.001 0.000 1.014 9 V HN 0.439 nan 8.190 nan 0.000 0.425 10 V N 2.664 122.588 119.914 0.017 0.000 2.423 10 V HA -0.015 4.102 4.120 -0.005 0.000 0.233 10 V C 2.456 178.577 176.094 0.045 0.000 1.067 10 V CA 2.209 64.524 62.300 0.025 0.000 1.073 10 V CB -0.541 31.281 31.823 -0.003 0.000 0.715 10 V HN 1.163 nan 8.190 nan 0.000 0.485 11 T N 1.249 115.835 114.554 0.055 0.000 2.990 11 T HA -0.456 3.891 4.350 -0.005 0.000 0.235 11 T C 1.791 176.603 174.700 0.186 0.000 1.110 11 T CA 2.735 64.908 62.100 0.121 0.000 1.131 11 T CB -1.059 67.835 68.868 0.043 0.000 0.791 11 T HN 0.673 nan 8.240 nan 0.000 0.512 12 A N 2.169 125.042 122.820 0.089 0.000 1.859 12 A HA -0.170 4.147 4.320 -0.005 0.000 0.217 12 A C 1.866 179.459 177.584 0.016 0.000 1.198 12 A CA 2.282 54.353 52.037 0.057 0.000 0.629 12 A CB -0.616 18.399 19.000 0.025 0.000 0.830 12 A HN 0.923 nan 8.150 nan 0.000 0.446 13 N N -3.451 115.267 118.700 0.030 0.000 2.241 13 N HA 0.226 4.963 4.740 -0.005 0.000 0.238 13 N C 0.295 175.842 175.510 0.063 0.000 1.244 13 N CA -0.037 53.032 53.050 0.031 0.000 0.880 13 N CB 0.427 38.979 38.487 0.108 0.000 1.179 13 N HN 0.330 nan 8.380 nan 0.000 0.513 14 R N -1.315 119.164 120.500 -0.034 0.000 3.954 14 R HA -0.151 4.187 4.340 -0.005 0.000 0.422 14 R C -1.282 174.672 176.300 -0.577 0.000 1.091 14 R CA 1.137 57.095 56.100 -0.236 0.000 1.168 14 R CB -1.825 28.291 30.300 -0.307 0.000 1.752 14 R HN 0.318 nan 8.270 nan 0.000 0.547 15 F N -0.048 119.929 119.950 0.045 0.000 2.626 15 F HA 0.319 4.843 4.527 -0.005 0.000 0.311 15 F C 0.552 176.365 175.800 0.023 0.000 1.088 15 F CA -0.991 57.031 58.000 0.036 0.000 0.949 15 F CB 1.206 40.223 39.000 0.028 0.000 1.322 15 F HN -0.202 nan 8.300 nan 0.000 0.461 16 E N 2.032 122.367 120.200 0.225 0.000 2.415 16 E HA 0.187 4.535 4.350 -0.005 0.000 0.263 16 E C -0.635 176.021 176.600 0.093 0.000 0.995 16 E CA 0.236 56.705 56.400 0.115 0.000 0.915 16 E CB 0.705 30.457 29.700 0.086 0.000 0.951 16 E HN 0.545 nan 8.360 nan 0.000 0.449 17 Q N 2.635 122.470 119.800 0.058 0.000 2.647 17 Q HA 0.415 4.752 4.340 -0.005 0.000 0.283 17 Q C -2.998 173.014 176.000 0.019 0.000 0.943 17 Q CA -1.995 53.833 55.803 0.041 0.000 0.813 17 Q CB 1.922 30.693 28.738 0.054 0.000 1.477 17 Q HN 0.127 nan 8.270 nan 0.000 0.393 18 P HA 0.188 nan 4.420 nan 0.000 0.279 18 P C -0.079 177.213 177.300 -0.013 0.000 1.239 18 P CA -0.391 62.706 63.100 -0.005 0.000 0.789 18 P CB 0.784 32.479 31.700 -0.007 0.000 0.933 19 R N 1.664 122.150 120.500 -0.023 0.000 2.081 19 R HA -0.103 4.234 4.340 -0.005 0.000 0.235 19 R C 1.936 178.208 176.300 -0.047 0.000 1.131 19 R CA 2.037 58.117 56.100 -0.034 0.000 0.960 19 R CB -1.438 28.838 30.300 -0.039 0.000 0.856 19 R HN 0.615 nan 8.270 nan 0.000 0.436 20 S N -0.126 115.543 115.700 -0.051 0.000 2.520 20 S HA -0.139 4.328 4.470 -0.005 0.000 0.249 20 S C 1.757 176.324 174.600 -0.054 0.000 0.983 20 S CA 1.774 59.935 58.200 -0.064 0.000 0.958 20 S CB -0.241 62.922 63.200 -0.062 0.000 0.750 20 S HN 0.334 nan 8.310 nan 0.000 0.527 21 T N 0.417 114.950 114.554 -0.035 0.000 3.023 21 T HA 0.269 4.616 4.350 -0.005 0.000 0.249 21 T C 0.312 174.999 174.700 -0.021 0.000 1.050 21 T CA 0.014 62.103 62.100 -0.019 0.000 1.088 21 T CB -0.160 68.709 68.868 0.001 0.000 0.946 21 T HN 0.234 nan 8.240 nan 0.000 0.480 22 V N 3.351 123.248 119.914 -0.030 0.000 2.508 22 V HA 0.320 4.438 4.120 -0.005 0.000 0.281 22 V C 0.349 176.407 176.094 -0.060 0.000 1.041 22 V CA -0.185 62.093 62.300 -0.035 0.000 1.016 22 V CB 1.050 32.852 31.823 -0.036 0.000 0.984 22 V HN 0.372 nan 8.190 nan 0.000 0.478 23 L N 5.642 126.828 121.223 -0.061 0.000 2.512 23 L HA 0.679 5.016 4.340 -0.005 0.000 0.247 23 L C 0.289 177.102 176.870 -0.095 0.000 1.204 23 L CA 0.117 54.905 54.840 -0.087 0.000 1.153 23 L CB 0.009 42.018 42.059 -0.083 0.000 1.415 23 L HN 0.913 nan 8.230 nan 0.000 0.406 24 A N 2.797 125.555 122.820 -0.103 0.000 2.583 24 A HA 0.531 4.849 4.320 -0.005 0.000 0.300 24 A C -3.026 174.486 177.584 -0.119 0.000 0.966 24 A CA -0.949 51.020 52.037 -0.113 0.000 0.673 24 A CB 0.675 19.610 19.000 -0.109 0.000 1.297 24 A HN 0.152 nan 8.150 nan 0.000 0.418 25 P HA 0.563 nan 4.420 nan 0.000 0.279 25 P C -0.195 176.992 177.300 -0.188 0.000 1.239 25 P CA 0.211 63.227 63.100 -0.140 0.000 0.789 25 P CB 1.274 32.893 31.700 -0.135 0.000 0.933 26 T N -1.193 113.271 114.554 -0.151 0.000 2.821 26 T HA 0.690 5.037 4.350 -0.005 0.000 0.306 26 T C -1.032 173.618 174.700 -0.083 0.000 1.313 26 T CA -0.587 61.419 62.100 -0.156 0.000 1.012 26 T CB 1.316 70.123 68.868 -0.103 0.000 1.298 26 T HN 0.220 nan 8.240 nan 0.000 0.502 27 T N 1.043 115.577 114.554 -0.033 0.000 2.933 27 T HA 0.687 5.035 4.350 -0.005 0.000 0.305 27 T C -1.187 173.557 174.700 0.073 0.000 1.092 27 T CA -0.627 61.506 62.100 0.056 0.000 1.008 27 T CB 1.793 70.755 68.868 0.157 0.000 1.102 27 T HN 0.763 nan 8.240 nan 0.000 0.469 28 V N 2.759 122.705 119.914 0.053 0.000 2.656 28 V HA 0.663 4.780 4.120 -0.005 0.000 0.307 28 V C -0.780 175.329 176.094 0.025 0.000 1.051 28 V CA -0.676 61.641 62.300 0.029 0.000 0.893 28 V CB 2.156 33.978 31.823 -0.001 0.000 0.999 28 V HN 0.739 nan 8.190 nan 0.000 0.426 29 V N 3.604 123.520 119.914 0.003 0.000 2.444 29 V HA 0.583 4.701 4.120 -0.005 0.000 0.294 29 V C 0.289 176.322 176.094 -0.102 0.000 1.022 29 V CA -0.441 61.834 62.300 -0.041 0.000 0.850 29 V CB 2.064 33.891 31.823 0.006 0.000 0.992 29 V HN 1.020 nan 8.190 nan 0.000 0.426 30 T N 1.852 116.312 114.554 -0.158 0.000 2.912 30 T HA 0.415 4.762 4.350 -0.005 0.000 0.280 30 T C 1.116 175.694 174.700 -0.202 0.000 0.989 30 T CA -0.529 61.478 62.100 -0.156 0.000 0.995 30 T CB 1.666 70.448 68.868 -0.142 0.000 1.077 30 T HN 0.372 nan 8.240 nan 0.000 0.531 31 R N 0.310 120.713 120.500 -0.161 0.000 2.097 31 R HA -0.136 4.202 4.340 -0.005 0.000 0.236 31 R C 2.426 178.601 176.300 -0.208 0.000 1.135 31 R CA 2.176 58.179 56.100 -0.162 0.000 0.934 31 R CB -1.350 28.875 30.300 -0.125 0.000 0.846 31 R HN 0.962 nan 8.270 nan 0.000 0.431 32 Q N 0.286 119.970 119.800 -0.193 0.000 2.118 32 Q HA -0.224 4.113 4.340 -0.005 0.000 0.211 32 Q C 1.344 177.150 176.000 -0.322 0.000 0.998 32 Q CA 2.326 58.005 55.803 -0.208 0.000 0.872 32 Q CB -0.111 28.525 28.738 -0.171 0.000 0.925 32 Q HN 0.371 nan 8.270 nan 0.000 0.414 33 D N 0.207 120.339 120.400 -0.446 0.000 2.092 33 D HA -0.183 4.454 4.640 -0.005 0.000 0.193 33 D C 1.950 177.679 176.300 -0.952 0.000 0.994 33 D CA 1.389 54.878 54.000 -0.853 0.000 0.828 33 D CB -0.392 39.764 40.800 -1.073 0.000 0.963 33 D HN 0.411 nan 8.370 nan 0.000 0.450 34 I N 1.196 121.418 120.570 -0.579 0.000 2.567 34 I HA -0.214 3.953 4.170 -0.005 0.000 0.257 34 I C 1.467 177.491 176.117 -0.155 0.000 1.184 34 I CA 0.960 62.087 61.300 -0.289 0.000 1.451 34 I CB -0.128 37.786 38.000 -0.144 0.000 1.089 34 I HN -0.141 nan 8.210 nan 0.000 0.441 35 D N 0.223 120.511 120.400 -0.186 0.000 2.305 35 D HA -0.021 4.617 4.640 -0.005 0.000 0.206 35 D C 2.263 178.517 176.300 -0.076 0.000 0.974 35 D CA 0.572 54.516 54.000 -0.095 0.000 0.871 35 D CB 0.018 40.762 40.800 -0.095 0.000 0.947 35 D HN 0.236 nan 8.370 nan 0.000 0.516 36 R N -0.235 120.169 120.500 -0.161 0.000 2.055 36 R HA -0.048 4.289 4.340 -0.005 0.000 0.226 36 R C 1.887 178.249 176.300 0.104 0.000 1.135 36 R CA 0.727 56.778 56.100 -0.082 0.000 0.959 36 R CB -0.084 30.114 30.300 -0.170 0.000 0.854 36 R HN 0.213 nan 8.270 nan 0.000 0.431 37 W N 1.135 122.426 121.300 -0.015 0.000 2.468 37 W HA -0.031 4.627 4.660 -0.005 0.000 0.262 37 W C 0.197 176.712 176.519 -0.007 0.000 1.241 37 W CA 0.371 57.710 57.345 -0.010 0.000 1.232 37 W CB -0.605 28.844 29.460 -0.017 0.000 1.124 37 W HN 0.287 nan 8.180 nan 0.000 0.597 38 Q N -0.115 119.801 119.800 0.192 0.000 2.449 38 Q HA -0.171 4.167 4.340 -0.005 0.000 0.351 38 Q C -0.280 175.785 176.000 0.108 0.000 1.456 38 Q CA 0.321 56.194 55.803 0.116 0.000 0.951 38 Q CB -1.497 27.303 28.738 0.103 0.000 1.153 38 Q HN -0.119 nan 8.270 nan 0.000 0.341 39 S N 0.740 116.507 115.700 0.111 0.000 2.451 39 S HA 0.555 5.023 4.470 -0.005 0.000 0.301 39 S C 0.200 174.826 174.600 0.044 0.000 1.116 39 S CA -0.265 57.989 58.200 0.090 0.000 1.093 39 S CB 1.286 64.577 63.200 0.151 0.000 1.017 39 S HN 0.386 nan 8.310 nan 0.000 0.482 40 T N -0.051 114.504 114.554 0.002 0.000 3.401 40 T HA 0.652 5.000 4.350 -0.005 0.000 0.341 40 T C -0.458 174.250 174.700 0.014 0.000 1.674 40 T CA -0.696 61.406 62.100 0.003 0.000 1.600 40 T CB -0.053 68.747 68.868 -0.114 0.000 0.974 40 T HN 0.534 nan 8.240 nan 0.000 0.672 41 S N 0.565 116.283 115.700 0.029 0.000 2.915 41 S HA 0.066 4.533 4.470 -0.005 0.000 0.274 41 S C 0.270 174.874 174.600 0.006 0.000 0.746 41 S CA -0.386 57.824 58.200 0.017 0.000 0.796 41 S CB 0.088 63.281 63.200 -0.013 0.000 1.004 41 S HN 0.247 nan 8.310 nan 0.000 0.549 42 V N 4.308 124.219 119.914 -0.004 0.000 2.871 42 V HA -0.024 4.094 4.120 -0.005 0.000 0.256 42 V C 2.098 178.154 176.094 -0.064 0.000 1.082 42 V CA 1.718 63.996 62.300 -0.036 0.000 1.105 42 V CB -0.617 31.166 31.823 -0.066 0.000 0.713 42 V HN 0.831 nan 8.190 nan 0.000 0.473 43 N N 0.317 118.978 118.700 -0.065 0.000 2.459 43 N HA -0.146 4.591 4.740 -0.005 0.000 0.181 43 N C 1.499 176.968 175.510 -0.069 0.000 1.046 43 N CA 1.306 54.307 53.050 -0.080 0.000 0.904 43 N CB -0.118 38.321 38.487 -0.079 0.000 0.964 43 N HN 0.552 nan 8.380 nan 0.000 0.444 44 D N 0.199 120.572 120.400 -0.045 0.000 2.162 44 D HA -0.035 4.603 4.640 -0.005 0.000 0.203 44 D C 0.118 176.394 176.300 -0.041 0.000 0.967 44 D CA 0.450 54.425 54.000 -0.041 0.000 0.840 44 D CB 0.416 41.210 40.800 -0.010 0.000 0.972 44 D HN -0.115 nan 8.370 nan 0.000 0.482 45 V N 1.968 121.889 119.914 0.011 0.000 2.162 45 V HA 0.277 4.394 4.120 -0.005 0.000 0.255 45 V C 0.764 176.839 176.094 -0.032 0.000 1.304 45 V CA 0.107 62.452 62.300 0.074 0.000 1.198 45 V CB 0.421 32.312 31.823 0.112 0.000 1.333 45 V HN 0.318 nan 8.190 nan 0.000 0.493 46 L N 1.815 122.981 121.223 -0.095 0.000 1.998 46 L HA -0.003 4.334 4.340 -0.005 0.000 0.230 46 L C 2.273 179.041 176.870 -0.169 0.000 1.211 46 L CA 0.337 55.075 54.840 -0.170 0.000 1.390 46 L CB -0.124 41.811 42.059 -0.207 0.000 2.641 46 L HN 0.506 nan 8.230 nan 0.000 0.506 47 R N 1.141 121.557 120.500 -0.140 0.000 2.152 47 R HA -0.071 4.266 4.340 -0.005 0.000 0.232 47 R C 1.583 177.797 176.300 -0.144 0.000 1.117 47 R CA 1.343 57.367 56.100 -0.127 0.000 0.981 47 R CB -0.354 29.877 30.300 -0.115 0.000 0.870 47 R HN 0.326 nan 8.270 nan 0.000 0.451 48 R N 0.900 121.288 120.500 -0.186 0.000 2.316 48 R HA 0.149 4.486 4.340 -0.005 0.000 0.202 48 R C 0.191 176.410 176.300 -0.136 0.000 1.029 48 R CA 0.376 56.334 56.100 -0.237 0.000 1.018 48 R CB -0.192 29.828 30.300 -0.468 0.000 0.888 48 R HN 0.193 nan 8.270 nan 0.000 0.471 49 L N 0.481 121.657 121.223 -0.077 0.000 2.358 49 L HA 0.465 4.802 4.340 -0.005 0.000 0.268 49 L C -2.305 174.611 176.870 0.077 0.000 1.032 49 L CA -2.934 51.922 54.840 0.026 0.000 0.805 49 L CB 0.414 42.525 42.059 0.086 0.000 1.253 49 L HN -0.301 nan 8.230 nan 0.000 0.452 50 P HA 0.102 nan 4.420 nan 0.000 0.267 50 P C 0.764 178.164 177.300 0.167 0.000 1.205 50 P CA 0.576 63.745 63.100 0.116 0.000 0.765 50 P CB 0.819 32.571 31.700 0.087 0.000 0.828 51 G N 1.282 110.138 108.800 0.093 0.000 2.179 51 G HA2 -0.201 3.756 3.960 -0.005 0.000 0.260 51 G HA3 -0.201 3.756 3.960 -0.005 0.000 0.260 51 G C -0.062 174.902 174.900 0.106 0.000 0.977 51 G CA -0.124 45.036 45.100 0.101 0.000 0.641 51 G HN 0.569 nan 8.290 nan 0.000 0.533 52 V N 1.868 121.824 119.914 0.070 0.000 2.417 52 V HA 0.626 4.744 4.120 -0.005 0.000 0.291 52 V C -0.458 175.631 176.094 -0.008 0.000 1.024 52 V CA 0.068 62.375 62.300 0.011 0.000 0.861 52 V CB 1.830 33.595 31.823 -0.097 0.000 0.985 52 V HN 0.564 nan 8.190 nan 0.000 0.436 53 D N 4.975 125.396 120.400 0.035 0.000 2.896 53 D HA 0.495 5.133 4.640 -0.005 0.000 0.241 53 D C -0.948 175.421 176.300 0.114 0.000 1.188 53 D CA -0.418 53.609 54.000 0.046 0.000 0.879 53 D CB 1.516 42.328 40.800 0.021 0.000 1.553 53 D HN 0.350 nan 8.370 nan 0.000 0.515 54 I N 2.138 122.732 120.570 0.041 0.000 2.382 54 I HA 0.337 4.504 4.170 -0.005 0.000 0.286 54 I C 0.209 176.354 176.117 0.048 0.000 1.002 54 I CA -0.759 60.548 61.300 0.012 0.000 1.135 54 I CB 1.951 39.916 38.000 -0.059 0.000 1.288 54 I HN 0.504 nan 8.210 nan 0.000 0.448 55 T N 2.621 117.233 114.554 0.096 0.000 2.767 55 T HA 0.486 4.834 4.350 -0.005 0.000 0.284 55 T C -0.571 174.114 174.700 -0.026 0.000 0.973 55 T CA -0.644 61.501 62.100 0.075 0.000 0.996 55 T CB 1.700 70.668 68.868 0.168 0.000 0.927 55 T HN 0.612 nan 8.240 nan 0.000 0.456 56 Q N 2.168 121.933 119.800 -0.058 0.000 2.353 56 Q HA 0.347 4.685 4.340 -0.005 0.000 0.268 56 Q C -0.376 175.510 176.000 -0.191 0.000 1.045 56 Q CA -0.949 54.781 55.803 -0.121 0.000 0.811 56 Q CB 1.247 29.929 28.738 -0.092 0.000 1.305 56 Q HN 0.680 nan 8.270 nan 0.000 0.447 57 N N 2.476 120.993 118.700 -0.306 0.000 3.115 57 N HA 0.172 4.909 4.740 -0.005 0.000 0.305 57 N C 0.095 175.551 175.510 -0.091 0.000 1.305 57 N CA 0.774 53.528 53.050 -0.493 0.000 1.154 57 N CB 0.522 38.601 38.487 -0.680 0.000 1.454 57 N HN 0.824 nan 8.380 nan 0.000 0.551 58 G N -1.307 107.464 108.800 -0.049 0.000 2.250 58 G HA2 -0.005 3.952 3.960 -0.005 0.000 0.196 58 G HA3 -0.005 3.952 3.960 -0.005 0.000 0.196 58 G C 0.034 174.898 174.900 -0.060 0.000 1.308 58 G CA -0.445 44.644 45.100 -0.019 0.000 1.207 58 G HN 0.477 nan 8.290 nan 0.000 0.505 59 G N -0.322 108.444 108.800 -0.056 0.000 2.630 59 G HA2 0.649 4.606 3.960 -0.005 0.000 0.223 59 G HA3 0.649 4.606 3.960 -0.005 0.000 0.223 59 G C 0.850 175.690 174.900 -0.099 0.000 1.434 59 G CA 1.152 46.215 45.100 -0.061 0.000 1.057 59 G HN 2.068 nan 8.290 nan 0.000 0.570 60 S N -1.176 114.471 115.700 -0.089 0.000 2.516 60 S HA 0.455 4.922 4.470 -0.005 0.000 0.282 60 S C 1.096 175.442 174.600 -0.424 0.000 1.286 60 S CA 0.597 58.699 58.200 -0.163 0.000 1.066 60 S CB 0.788 63.980 63.200 -0.013 0.000 0.884 60 S HN 2.325 nan 8.310 nan 0.000 0.491 61 G N 2.019 110.412 108.800 -0.679 0.000 2.278 61 G HA2 -0.175 3.782 3.960 -0.005 0.000 0.210 61 G HA3 -0.175 3.782 3.960 -0.005 0.000 0.210 61 G C -0.079 174.536 174.900 -0.476 0.000 1.000 61 G CA -0.237 44.201 45.100 -1.103 0.000 0.635 61 G HN 0.763 nan 8.290 nan 0.000 0.495 62 Q N 0.967 120.589 119.800 -0.297 0.000 2.312 62 Q HA 0.576 4.913 4.340 -0.005 0.000 0.236 62 Q C 1.163 177.064 176.000 -0.164 0.000 0.965 62 Q CA -0.577 55.118 55.803 -0.181 0.000 0.894 62 Q CB 0.504 29.163 28.738 -0.131 0.000 1.225 62 Q HN 0.479 nan 8.270 nan 0.000 0.478 63 L N 1.839 122.982 121.223 -0.134 0.000 2.578 63 L HA 0.019 4.356 4.340 -0.005 0.000 0.279 63 L C 0.390 177.172 176.870 -0.146 0.000 1.227 63 L CA 0.502 55.266 54.840 -0.126 0.000 0.900 63 L CB -0.362 41.629 42.059 -0.113 0.000 1.144 63 L HN 0.696 nan 8.230 nan 0.000 0.496 64 S N 1.441 117.059 115.700 -0.137 0.000 2.570 64 S HA 0.769 5.236 4.470 -0.005 0.000 0.286 64 S C -0.653 173.843 174.600 -0.173 0.000 1.099 64 S CA -0.868 57.246 58.200 -0.143 0.000 0.913 64 S CB 2.273 65.394 63.200 -0.131 0.000 1.085 64 S HN 0.493 nan 8.310 nan 0.000 0.480 65 S N 1.011 116.581 115.700 -0.217 0.000 2.526 65 S HA 0.604 5.072 4.470 -0.005 0.000 0.293 65 S C -0.760 173.524 174.600 -0.526 0.000 1.092 65 S CA -0.758 57.203 58.200 -0.399 0.000 0.980 65 S CB 0.866 63.758 63.200 -0.513 0.000 1.048 65 S HN 0.708 nan 8.310 nan 0.000 0.483 66 I N 2.596 122.829 120.570 -0.562 0.000 2.336 66 I HA 0.409 4.576 4.170 -0.005 0.000 0.292 66 I C -1.325 174.445 176.117 -0.579 0.000 0.991 66 I CA -0.459 60.582 61.300 -0.432 0.000 1.227 66 I CB 0.775 38.609 38.000 -0.277 0.000 1.366 66 I HN 0.524 nan 8.210 nan 0.000 0.466 67 F N 6.714 126.621 119.950 -0.072 0.000 2.427 67 F HA 0.461 4.985 4.527 -0.004 0.000 0.348 67 F C -0.041 175.738 175.800 -0.035 0.000 1.125 67 F CA -0.771 57.197 58.000 -0.054 0.000 0.989 67 F CB 1.139 40.104 39.000 -0.059 0.000 1.165 67 F HN 0.129 nan 8.300 nan 0.000 0.442 68 I N 4.036 124.684 120.570 0.129 0.000 2.321 68 I HA 0.292 4.459 4.170 -0.005 0.000 0.291 68 I C 0.567 176.745 176.117 0.100 0.000 0.998 68 I CA -0.750 60.615 61.300 0.107 0.000 1.227 68 I CB 1.167 39.225 38.000 0.097 0.000 1.368 68 I HN 0.658 nan 8.210 nan 0.000 0.466 69 R N 4.363 124.919 120.500 0.093 0.000 3.092 69 R HA -0.232 4.106 4.340 -0.005 0.000 0.245 69 R C 1.101 177.495 176.300 0.156 0.000 0.881 69 R CA 0.595 56.767 56.100 0.121 0.000 0.614 69 R CB -1.688 28.577 30.300 -0.059 0.000 1.128 69 R HN 1.144 nan 8.270 nan 0.000 0.483 70 G N -0.416 108.447 108.800 0.105 0.000 2.200 70 G HA2 -0.428 3.529 3.960 -0.005 0.000 0.267 70 G HA3 -0.428 3.529 3.960 -0.005 0.000 0.267 70 G C 0.430 175.384 174.900 0.091 0.000 0.993 70 G CA 1.209 46.340 45.100 0.052 0.000 0.701 70 G HN 0.816 nan 8.290 nan 0.000 0.524 71 T N -1.880 112.765 114.554 0.152 0.000 2.824 71 T HA 0.582 4.929 4.350 -0.005 0.000 0.277 71 T C 0.671 175.469 174.700 0.163 0.000 0.975 71 T CA -0.281 61.921 62.100 0.170 0.000 0.966 71 T CB 1.193 70.200 68.868 0.232 0.000 1.054 71 T HN 0.139 nan 8.240 nan 0.000 0.533 72 N N -0.105 118.544 118.700 -0.084 0.000 2.326 72 N HA 0.349 5.086 4.740 -0.005 0.000 0.239 72 N C 1.449 176.897 175.510 -0.104 0.000 1.301 72 N CA 0.079 53.046 53.050 -0.139 0.000 0.909 72 N CB 0.105 38.276 38.487 -0.527 0.000 1.156 72 N HN 0.853 nan 8.380 nan 0.000 0.462 73 A N -0.065 122.659 122.820 -0.160 0.000 2.067 73 A HA -0.095 4.222 4.320 -0.005 0.000 0.219 73 A C 1.479 178.913 177.584 -0.250 0.000 1.158 73 A CA 1.538 53.321 52.037 -0.424 0.000 0.661 73 A CB -0.456 18.269 19.000 -0.458 0.000 0.801 73 A HN 0.615 nan 8.150 nan 0.000 0.452 74 S N -2.169 113.441 115.700 -0.151 0.000 2.575 74 S HA 0.188 4.656 4.470 -0.005 0.000 0.237 74 S C 0.503 175.158 174.600 0.091 0.000 0.975 74 S CA -0.268 57.900 58.200 -0.053 0.000 0.960 74 S CB -0.775 62.408 63.200 -0.029 0.000 0.822 74 S HN 0.696 nan 8.310 nan 0.000 0.472 75 H N -0.040 118.980 119.070 -0.084 0.000 2.505 75 H HA 0.476 5.030 4.556 -0.005 0.000 0.286 75 H C -0.325 174.954 175.328 -0.082 0.000 1.072 75 H CA -0.279 55.725 56.048 -0.073 0.000 1.141 75 H CB 0.938 30.680 29.762 -0.033 0.000 1.550 75 H HN 0.292 nan 8.280 nan 0.000 0.547 76 V N 1.663 121.583 119.914 0.011 0.000 2.769 76 V HA 0.274 4.391 4.120 -0.005 0.000 0.312 76 V C -1.111 174.933 176.094 -0.082 0.000 1.061 76 V CA -1.001 61.275 62.300 -0.041 0.000 0.931 76 V CB 2.361 34.151 31.823 -0.055 0.000 1.010 76 V HN 0.142 nan 8.190 nan 0.000 0.433 77 L N 6.860 128.021 121.223 -0.103 0.000 2.265 77 L HA 0.604 4.941 4.340 -0.005 0.000 0.289 77 L C -0.615 176.158 176.870 -0.160 0.000 1.033 77 L CA 0.201 54.957 54.840 -0.140 0.000 0.814 77 L CB 1.447 43.396 42.059 -0.184 0.000 1.203 77 L HN 0.494 nan 8.230 nan 0.000 0.423 78 V N 6.835 126.659 119.914 -0.151 0.000 2.383 78 V HA 0.364 4.482 4.120 -0.005 0.000 0.275 78 V C 0.276 176.270 176.094 -0.167 0.000 1.036 78 V CA -0.441 61.757 62.300 -0.170 0.000 0.889 78 V CB 1.120 32.842 31.823 -0.168 0.000 0.985 78 V HN 0.605 nan 8.190 nan 0.000 0.459 79 L N 5.604 126.710 121.223 -0.196 0.000 2.334 79 L HA 0.610 4.948 4.340 -0.005 0.000 0.275 79 L C -0.607 176.183 176.870 -0.132 0.000 1.036 79 L CA -0.708 54.033 54.840 -0.165 0.000 0.807 79 L CB 1.854 43.779 42.059 -0.224 0.000 1.231 79 L HN 0.386 nan 8.230 nan 0.000 0.438 80 I N 2.317 122.857 120.570 -0.050 0.000 2.437 80 I HA 0.171 4.338 4.170 -0.005 0.000 0.279 80 I C -0.346 175.807 176.117 0.059 0.000 1.028 80 I CA -0.216 61.087 61.300 0.005 0.000 1.142 80 I CB 0.969 39.050 38.000 0.135 0.000 1.266 80 I HN 0.691 nan 8.210 nan 0.000 0.461 81 D N 3.668 124.081 120.400 0.021 0.000 2.708 81 D HA -0.150 4.488 4.640 -0.005 0.000 0.236 81 D C 0.863 177.191 176.300 0.047 0.000 1.146 81 D CA 0.871 54.889 54.000 0.029 0.000 0.662 81 D CB -0.597 40.242 40.800 0.064 0.000 1.059 81 D HN 0.778 nan 8.370 nan 0.000 0.428 82 G N -0.199 108.605 108.800 0.008 0.000 2.365 82 G HA2 0.367 4.324 3.960 -0.005 0.000 0.249 82 G HA3 0.367 4.324 3.960 -0.005 0.000 0.249 82 G C 0.670 175.610 174.900 0.068 0.000 1.288 82 G CA -0.011 45.094 45.100 0.007 0.000 0.887 82 G HN 0.598 nan 8.290 nan 0.000 0.524 83 V N 1.665 121.638 119.914 0.099 0.000 4.438 83 V HA -0.219 3.898 4.120 -0.005 0.000 0.425 83 V C 1.224 177.339 176.094 0.036 0.000 0.682 83 V CA 1.291 63.643 62.300 0.087 0.000 1.725 83 V CB -1.613 30.281 31.823 0.117 0.000 2.088 83 V HN 1.342 nan 8.190 nan 0.000 0.484 84 R N 5.242 125.757 120.500 0.026 0.000 2.747 84 R HA 0.531 4.868 4.340 -0.005 0.000 0.278 84 R C 0.830 177.140 176.300 0.017 0.000 1.153 84 R CA -0.591 55.502 56.100 -0.012 0.000 1.206 84 R CB 0.672 30.962 30.300 -0.016 0.000 1.161 84 R HN 0.581 nan 8.270 nan 0.000 0.589 85 L N 2.646 123.870 121.223 0.002 0.000 2.873 85 L HA 0.062 4.399 4.340 -0.005 0.000 0.236 85 L C 0.023 176.942 176.870 0.083 0.000 1.375 85 L CA 0.539 55.402 54.840 0.039 0.000 1.239 85 L CB -1.408 40.644 42.059 -0.012 0.000 1.603 85 L HN 1.061 nan 8.230 nan 0.000 0.430 86 N N 0.630 119.375 118.700 0.075 0.000 2.550 86 N HA -0.243 4.495 4.740 -0.005 0.000 0.243 86 N C -0.456 175.087 175.510 0.054 0.000 1.238 86 N CA 0.540 53.623 53.050 0.054 0.000 0.756 86 N CB -0.199 38.334 38.487 0.077 0.000 1.165 86 N HN 0.380 nan 8.380 nan 0.000 0.570 87 L N 0.047 121.301 121.223 0.052 0.000 2.556 87 L HA 0.382 4.720 4.340 -0.005 0.000 0.243 87 L C 1.090 177.975 176.870 0.025 0.000 1.331 87 L CA 0.087 54.953 54.840 0.043 0.000 0.927 87 L CB 0.588 42.678 42.059 0.052 0.000 1.219 87 L HN 0.105 nan 8.230 nan 0.000 0.490 88 A N 0.547 123.386 122.820 0.032 0.000 1.958 88 A HA 0.084 4.401 4.320 -0.005 0.000 0.221 88 A C 1.659 179.258 177.584 0.025 0.000 1.178 88 A CA 2.302 54.359 52.037 0.034 0.000 0.642 88 A CB -0.215 18.817 19.000 0.054 0.000 0.816 88 A HN 0.654 nan 8.150 nan 0.000 0.453 89 G N -2.481 106.335 108.800 0.027 0.000 2.861 89 G HA2 0.318 4.275 3.960 -0.005 0.000 0.140 89 G HA3 0.318 4.275 3.960 -0.005 0.000 0.140 89 G C -0.180 174.733 174.900 0.022 0.000 1.440 89 G CA 0.309 45.420 45.100 0.020 0.000 0.907 89 G HN 0.442 nan 8.290 nan 0.000 0.686 90 V N 3.231 123.164 119.914 0.031 0.000 2.442 90 V HA 0.322 4.439 4.120 -0.005 0.000 0.272 90 V C 0.237 176.353 176.094 0.038 0.000 0.989 90 V CA 0.414 62.738 62.300 0.040 0.000 1.123 90 V CB -0.786 31.063 31.823 0.042 0.000 1.008 90 V HN 1.002 nan 8.190 nan 0.000 0.469 91 S N 3.403 119.124 115.700 0.035 0.000 3.432 91 S HA -0.075 4.392 4.470 -0.005 0.000 0.521 91 S C 0.851 175.454 174.600 0.005 0.000 0.696 91 S CA 0.386 58.600 58.200 0.022 0.000 1.382 91 S CB -1.282 61.939 63.200 0.036 0.000 0.981 91 S HN 1.592 nan 8.310 nan 0.000 0.813 92 G N 0.321 109.115 108.800 -0.010 0.000 3.912 92 G HA2 0.413 4.371 3.960 -0.005 0.000 0.203 92 G HA3 0.413 4.371 3.960 -0.005 0.000 0.203 92 G C -0.067 174.820 174.900 -0.021 0.000 1.112 92 G CA 0.532 45.626 45.100 -0.009 0.000 0.871 92 G HN 1.408 nan 8.290 nan 0.000 0.549 93 S N 0.061 115.738 115.700 -0.037 0.000 2.681 93 S HA 0.829 5.297 4.470 -0.005 0.000 0.299 93 S C 0.284 174.846 174.600 -0.063 0.000 1.113 93 S CA 0.175 58.341 58.200 -0.058 0.000 1.013 93 S CB 2.066 65.213 63.200 -0.088 0.000 1.076 93 S HN 1.109 nan 8.310 nan 0.000 0.534 94 A N 0.771 123.542 122.820 -0.082 0.000 2.388 94 A HA 0.482 4.799 4.320 -0.005 0.000 0.257 94 A C 0.284 177.805 177.584 -0.104 0.000 1.095 94 A CA -0.258 51.730 52.037 -0.082 0.000 0.791 94 A CB 0.062 19.000 19.000 -0.103 0.000 1.029 94 A HN 0.984 nan 8.150 nan 0.000 0.489 95 D N -0.071 120.285 120.400 -0.074 0.000 3.234 95 D HA 0.253 4.890 4.640 -0.005 0.000 0.281 95 D C 0.825 177.077 176.300 -0.081 0.000 1.405 95 D CA 0.821 54.770 54.000 -0.085 0.000 1.115 95 D CB 0.040 40.809 40.800 -0.053 0.000 1.198 95 D HN 0.489 nan 8.370 nan 0.000 0.388 96 L N 0.050 121.257 121.223 -0.026 0.000 4.793 96 L HA -0.232 4.106 4.340 -0.005 0.000 0.404 96 L C 1.027 177.896 176.870 -0.001 0.000 1.022 96 L CA 0.336 55.168 54.840 -0.013 0.000 1.242 96 L CB -1.547 40.447 42.059 -0.109 0.000 2.049 96 L HN 0.031 nan 8.230 nan 0.000 0.637 97 S N -0.615 115.069 115.700 -0.027 0.000 2.414 97 S HA -0.035 4.432 4.470 -0.005 0.000 0.227 97 S C 1.447 176.013 174.600 -0.058 0.000 1.022 97 S CA 0.869 59.019 58.200 -0.083 0.000 0.958 97 S CB 0.035 63.153 63.200 -0.136 0.000 0.797 97 S HN 0.453 nan 8.310 nan 0.000 0.493 98 Q N -0.404 119.423 119.800 0.045 0.000 2.219 98 Q HA 0.315 4.653 4.340 -0.005 0.000 0.209 98 Q C -0.612 175.399 176.000 0.018 0.000 0.854 98 Q CA -0.160 55.730 55.803 0.144 0.000 0.960 98 Q CB 0.214 29.092 28.738 0.233 0.000 1.116 98 Q HN 0.486 nan 8.270 nan 0.000 0.500 99 F N 3.166 123.028 119.950 -0.145 0.000 2.411 99 F HA 0.309 4.834 4.527 -0.005 0.000 0.350 99 F C -2.083 173.535 175.800 -0.304 0.000 1.114 99 F CA -2.432 55.364 58.000 -0.340 0.000 1.135 99 F CB 1.205 40.085 39.000 -0.200 0.000 1.120 99 F HN -0.142 nan 8.300 nan 0.000 0.495 100 P HA 0.060 nan 4.420 nan 0.000 0.269 100 P C 0.733 177.975 177.300 -0.097 0.000 1.252 100 P CA 0.045 62.925 63.100 -0.366 0.000 0.780 100 P CB 0.717 32.081 31.700 -0.560 0.000 0.829 101 I N 4.601 125.180 120.570 0.015 0.000 2.315 101 I HA -0.291 3.876 4.170 -0.005 0.000 0.251 101 I C 1.910 178.019 176.117 -0.013 0.000 1.125 101 I CA 1.695 63.017 61.300 0.038 0.000 1.392 101 I CB -0.692 37.334 38.000 0.044 0.000 1.065 101 I HN 0.381 nan 8.210 nan 0.000 0.424 102 A N 0.181 122.974 122.820 -0.045 0.000 2.084 102 A HA -0.150 4.167 4.320 -0.005 0.000 0.221 102 A C 2.127 179.620 177.584 -0.151 0.000 1.161 102 A CA 1.643 53.634 52.037 -0.077 0.000 0.653 102 A CB -0.866 18.095 19.000 -0.065 0.000 0.802 102 A HN 0.522 nan 8.150 nan 0.000 0.457 103 L N -0.439 120.680 121.223 -0.174 0.000 2.509 103 L HA 0.056 4.393 4.340 -0.005 0.000 0.222 103 L C 0.254 177.020 176.870 -0.173 0.000 1.123 103 L CA 0.366 55.047 54.840 -0.265 0.000 0.856 103 L CB -0.537 41.327 42.059 -0.326 0.000 0.985 103 L HN 0.101 nan 8.230 nan 0.000 0.456 104 V N 1.688 121.554 119.914 -0.081 0.000 2.427 104 V HA 0.068 4.185 4.120 -0.005 0.000 0.268 104 V C 1.032 177.062 176.094 -0.107 0.000 1.046 104 V CA -0.021 62.234 62.300 -0.076 0.000 0.970 104 V CB 1.289 33.082 31.823 -0.050 0.000 1.001 104 V HN 0.330 nan 8.190 nan 0.000 0.476 105 Q N 3.757 123.486 119.800 -0.117 0.000 2.317 105 Q HA 0.311 4.649 4.340 -0.005 0.000 0.220 105 Q C 0.670 176.609 176.000 -0.102 0.000 0.873 105 Q CA 0.196 55.929 55.803 -0.116 0.000 0.936 105 Q CB 1.182 29.847 28.738 -0.122 0.000 1.105 105 Q HN 0.762 nan 8.270 nan 0.000 0.520 106 R N -0.781 119.663 120.500 -0.094 0.000 2.739 106 R HA 0.432 4.769 4.340 -0.005 0.000 0.266 106 R C -2.015 174.239 176.300 -0.076 0.000 1.044 106 R CA -0.235 55.815 56.100 -0.083 0.000 0.885 106 R CB 1.258 31.514 30.300 -0.073 0.000 1.260 106 R HN -0.117 nan 8.270 nan 0.000 0.477 107 V N 2.415 122.294 119.914 -0.059 0.000 2.760 107 V HA 0.460 4.577 4.120 -0.005 0.000 0.309 107 V C -0.929 175.157 176.094 -0.012 0.000 1.077 107 V CA -0.772 61.499 62.300 -0.049 0.000 0.910 107 V CB 2.048 33.843 31.823 -0.048 0.000 1.008 107 V HN 0.749 nan 8.190 nan 0.000 0.424 108 E N 3.442 123.640 120.200 -0.003 0.000 2.210 108 E HA 0.546 4.893 4.350 -0.005 0.000 0.266 108 E C -1.888 174.768 176.600 0.093 0.000 0.883 108 E CA -0.737 55.681 56.400 0.030 0.000 0.761 108 E CB 2.859 32.560 29.700 0.003 0.000 1.156 108 E HN 0.614 nan 8.360 nan 0.000 0.412 109 Y N 3.739 124.006 120.300 -0.056 0.000 2.386 109 Y HA 0.526 5.073 4.550 -0.005 0.000 0.334 109 Y C -1.754 174.111 175.900 -0.058 0.000 1.002 109 Y CA -1.069 56.991 58.100 -0.066 0.000 1.068 109 Y CB 0.876 39.300 38.460 -0.060 0.000 1.203 109 Y HN 0.446 nan 8.280 nan 0.000 0.443 110 I N 6.558 126.984 120.570 -0.239 0.000 2.647 110 I HA 0.610 4.777 4.170 -0.005 0.000 0.295 110 I C -0.944 174.927 176.117 -0.410 0.000 1.078 110 I CA -1.190 59.912 61.300 -0.330 0.000 1.048 110 I CB 2.490 40.409 38.000 -0.134 0.000 1.239 110 I HN 0.565 nan 8.210 nan 0.000 0.421 111 R N 3.438 123.686 120.500 -0.421 0.000 2.740 111 R HA 0.891 5.228 4.340 -0.005 0.000 0.282 111 R C -0.222 175.922 176.300 -0.260 0.000 0.969 111 R CA -0.966 54.919 56.100 -0.359 0.000 0.918 111 R CB 2.143 32.189 30.300 -0.423 0.000 1.175 111 R HN 0.947 nan 8.270 nan 0.000 0.464 112 G N 1.759 110.418 108.800 -0.237 0.000 2.479 112 G HA2 -0.104 3.853 3.960 -0.005 0.000 0.686 112 G HA3 -0.104 3.853 3.960 -0.005 0.000 0.686 112 G C -3.045 171.755 174.900 -0.168 0.000 1.295 112 G CA -1.287 43.685 45.100 -0.212 0.000 0.922 112 G HN 0.415 nan 8.290 nan 0.000 0.582 113 P HA 0.423 nan 4.420 nan 0.000 0.271 113 P C -0.030 177.206 177.300 -0.108 0.000 1.216 113 P CA 0.064 63.072 63.100 -0.153 0.000 0.771 113 P CB 0.978 32.552 31.700 -0.210 0.000 0.864 114 R N 1.319 121.787 120.500 -0.054 0.000 2.661 114 R HA 0.220 4.558 4.340 -0.005 0.000 0.429 114 R C 1.225 177.543 176.300 0.031 0.000 1.044 114 R CA 0.111 56.214 56.100 0.005 0.000 1.065 114 R CB -0.148 30.222 30.300 0.116 0.000 1.377 114 R HN 0.289 nan 8.270 nan 0.000 0.600 115 S N -0.221 115.471 115.700 -0.012 0.000 2.447 115 S HA -0.035 4.433 4.470 -0.005 0.000 0.233 115 S C 1.541 176.173 174.600 0.054 0.000 1.006 115 S CA 1.132 59.342 58.200 0.016 0.000 0.957 115 S CB 0.207 63.411 63.200 0.006 0.000 0.773 115 S HN 0.529 nan 8.310 nan 0.000 0.507 116 A N 0.162 122.992 122.820 0.017 0.000 2.261 116 A HA 0.290 4.607 4.320 -0.005 0.000 0.208 116 A C 1.414 178.936 177.584 -0.103 0.000 1.223 116 A CA 0.361 52.418 52.037 0.033 0.000 0.833 116 A CB -0.079 18.963 19.000 0.070 0.000 0.830 116 A HN 0.359 nan 8.150 nan 0.000 0.483 117 V N -3.055 116.684 119.914 -0.291 0.000 3.165 117 V HA 0.032 4.149 4.120 -0.005 0.000 0.231 117 V C 1.542 177.157 176.094 -0.797 0.000 1.365 117 V CA 0.619 62.458 62.300 -0.768 0.000 1.286 117 V CB -0.555 30.723 31.823 -0.909 0.000 1.081 117 V HN 0.586 nan 8.190 nan 0.000 0.477 118 Y N 0.932 121.111 120.300 -0.203 0.000 2.497 118 Y HA 0.521 5.068 4.550 -0.005 0.000 0.265 118 Y C 1.688 177.564 175.900 -0.040 0.000 1.111 118 Y CA 0.797 58.822 58.100 -0.124 0.000 1.288 118 Y CB 0.788 39.182 38.460 -0.109 0.000 1.082 118 Y HN 0.391 nan 8.280 nan 0.000 0.536 119 G N 0.454 109.326 108.800 0.120 0.000 2.513 119 G HA2 -0.274 3.683 3.960 -0.005 0.000 0.227 119 G HA3 -0.274 3.683 3.960 -0.005 0.000 0.227 119 G C -0.322 174.515 174.900 -0.105 0.000 1.176 119 G CA -0.304 44.910 45.100 0.191 0.000 0.967 119 G HN 0.470 nan 8.290 nan 0.000 0.587 120 S N 0.402 115.900 115.700 -0.336 0.000 2.562 120 S HA 0.581 5.048 4.470 -0.005 0.000 0.275 120 S C 0.559 174.865 174.600 -0.489 0.000 1.281 120 S CA 1.254 58.752 58.200 -1.170 0.000 1.045 120 S CB 1.747 64.409 63.200 -0.898 0.000 0.962 120 S HN 1.686 nan 8.310 nan 0.000 0.503 121 D N 0.968 121.073 120.400 -0.491 0.000 2.932 121 D HA -0.119 4.518 4.640 -0.005 0.000 0.167 121 D C -0.001 176.174 176.300 -0.208 0.000 0.726 121 D CA 0.999 54.844 54.000 -0.259 0.000 0.857 121 D CB -1.482 39.218 40.800 -0.167 0.000 1.392 121 D HN 0.939 nan 8.370 nan 0.000 0.526 122 A N 1.559 124.254 122.820 -0.208 0.000 2.506 122 A HA 0.617 4.934 4.320 -0.005 0.000 0.320 122 A C 0.060 177.550 177.584 -0.156 0.000 1.424 122 A CA 0.094 52.049 52.037 -0.136 0.000 1.044 122 A CB -0.243 18.723 19.000 -0.057 0.000 1.140 122 A HN 0.234 nan 8.150 nan 0.000 0.538 123 I N 2.078 122.560 120.570 -0.147 0.000 2.529 123 I HA 0.487 4.654 4.170 -0.005 0.000 0.284 123 I C 1.008 177.075 176.117 -0.083 0.000 1.088 123 I CA 0.130 61.337 61.300 -0.154 0.000 1.062 123 I CB 1.778 39.617 38.000 -0.268 0.000 1.218 123 I HN 0.834 nan 8.210 nan 0.000 0.442 124 G N 4.409 113.149 108.800 -0.100 0.000 2.358 124 G HA2 -0.126 3.831 3.960 -0.005 0.000 0.224 124 G HA3 -0.126 3.831 3.960 -0.005 0.000 0.224 124 G C 0.319 175.166 174.900 -0.090 0.000 1.073 124 G CA -0.114 44.931 45.100 -0.092 0.000 0.635 124 G HN 1.191 nan 8.290 nan 0.000 0.509 125 G N -1.721 107.050 108.800 -0.048 0.000 2.632 125 G HA2 0.650 4.608 3.960 -0.005 0.000 0.292 125 G HA3 0.650 4.608 3.960 -0.005 0.000 0.292 125 G C -1.756 173.143 174.900 -0.003 0.000 1.465 125 G CA 0.313 45.415 45.100 0.003 0.000 0.824 125 G HN 1.180 nan 8.290 nan 0.000 0.509 126 V N 0.316 120.241 119.914 0.018 0.000 2.588 126 V HA 0.629 4.746 4.120 -0.005 0.000 0.304 126 V C -0.410 175.719 176.094 0.058 0.000 1.042 126 V CA -0.718 61.561 62.300 -0.035 0.000 0.877 126 V CB 1.861 33.608 31.823 -0.125 0.000 0.996 126 V HN 0.681 nan 8.190 nan 0.000 0.425 127 V N 3.940 123.831 119.914 -0.038 0.000 2.384 127 V HA 0.475 4.593 4.120 -0.005 0.000 0.287 127 V C -0.261 175.753 176.094 -0.133 0.000 1.020 127 V CA -0.622 61.642 62.300 -0.061 0.000 0.850 127 V CB 1.740 33.459 31.823 -0.173 0.000 0.987 127 V HN 0.857 nan 8.190 nan 0.000 0.436 128 N N 5.168 123.804 118.700 -0.107 0.000 2.511 128 N HA 0.424 5.161 4.740 -0.005 0.000 0.249 128 N C -0.794 174.638 175.510 -0.130 0.000 0.971 128 N CA -0.384 52.586 53.050 -0.133 0.000 0.938 128 N CB 0.851 39.275 38.487 -0.105 0.000 1.131 128 N HN 0.626 nan 8.380 nan 0.000 0.505 129 I N 4.617 125.080 120.570 -0.179 0.000 2.301 129 I HA 0.255 4.423 4.170 -0.005 0.000 0.292 129 I C 0.232 176.272 176.117 -0.129 0.000 1.046 129 I CA -0.446 60.735 61.300 -0.199 0.000 1.282 129 I CB 0.512 38.291 38.000 -0.368 0.000 1.409 129 I HN 0.348 nan 8.210 nan 0.000 0.484 130 I N 5.375 125.888 120.570 -0.094 0.000 2.428 130 I HA 0.155 4.323 4.170 -0.005 0.000 0.296 130 I C 0.949 177.027 176.117 -0.065 0.000 0.985 130 I CA -0.050 61.213 61.300 -0.061 0.000 1.260 130 I CB 1.848 39.811 38.000 -0.060 0.000 1.389 130 I HN 0.533 nan 8.210 nan 0.000 0.484 131 T N 1.341 115.872 114.554 -0.038 0.000 3.448 131 T HA 0.330 4.678 4.350 -0.005 0.000 0.271 131 T C -0.052 174.605 174.700 -0.072 0.000 1.002 131 T CA -0.328 61.715 62.100 -0.095 0.000 0.995 131 T CB -0.243 68.572 68.868 -0.089 0.000 1.153 131 T HN 0.562 nan 8.240 nan 0.000 0.510 132 T N 2.401 116.921 114.554 -0.057 0.000 2.924 132 T HA 0.823 5.170 4.350 -0.005 0.000 0.291 132 T C -0.712 173.955 174.700 -0.056 0.000 1.045 132 T CA -1.006 61.073 62.100 -0.036 0.000 1.015 132 T CB 1.866 70.703 68.868 -0.052 0.000 1.103 132 T HN 0.689 nan 8.240 nan 0.000 0.496 133 R N 0.302 120.778 120.500 -0.039 0.000 2.692 133 R HA 0.617 4.955 4.340 -0.005 0.000 0.269 133 R C -2.201 174.081 176.300 -0.030 0.000 1.030 133 R CA -0.913 55.159 56.100 -0.046 0.000 0.882 133 R CB 1.248 31.512 30.300 -0.061 0.000 1.250 133 R HN 0.437 nan 8.270 nan 0.000 0.465 134 D N 1.043 121.422 120.400 -0.034 0.000 2.456 134 D HA 0.221 4.858 4.640 -0.005 0.000 0.287 134 D C -1.251 175.029 176.300 -0.034 0.000 1.186 134 D CA -0.148 53.835 54.000 -0.027 0.000 0.916 134 D CB 0.969 41.753 40.800 -0.026 0.000 1.029 134 D HN 0.576 nan 8.370 nan 0.000 0.498 135 E N 2.458 122.638 120.200 -0.034 0.000 2.642 135 E HA 0.351 4.699 4.350 -0.005 0.000 0.284 135 E C -2.759 173.818 176.600 -0.040 0.000 1.039 135 E CA -1.671 54.705 56.400 -0.041 0.000 0.777 135 E CB 1.227 30.897 29.700 -0.050 0.000 1.473 135 E HN 0.108 nan 8.360 nan 0.000 0.388 136 P HA 0.539 nan 4.420 nan 0.000 0.272 136 P C -0.134 177.131 177.300 -0.059 0.000 1.240 136 P CA 0.252 63.327 63.100 -0.041 0.000 0.791 136 P CB 0.958 32.637 31.700 -0.035 0.000 0.978 137 G N -0.442 108.309 108.800 -0.080 0.000 2.617 137 G HA2 0.188 4.145 3.960 -0.005 0.000 0.686 137 G HA3 0.188 4.145 3.960 -0.005 0.000 0.686 137 G C -0.643 174.164 174.900 -0.154 0.000 1.214 137 G CA -0.431 44.593 45.100 -0.127 0.000 0.796 137 G HN 0.743 nan 8.290 nan 0.000 0.654 138 T N -1.667 112.715 114.554 -0.287 0.000 2.902 138 T HA 0.781 5.128 4.350 -0.005 0.000 0.283 138 T C -0.196 174.420 174.700 -0.141 0.000 1.009 138 T CA -0.316 61.614 62.100 -0.283 0.000 1.051 138 T CB 2.588 71.127 68.868 -0.548 0.000 0.999 138 T HN 0.823 nan 8.240 nan 0.000 0.474 139 E N 1.843 122.066 120.200 0.038 0.000 2.281 139 E HA 0.464 4.811 4.350 -0.005 0.000 0.266 139 E C -1.484 175.229 176.600 0.188 0.000 0.893 139 E CA -0.644 55.844 56.400 0.148 0.000 0.798 139 E CB 1.523 31.257 29.700 0.056 0.000 1.245 139 E HN 0.694 nan 8.360 nan 0.000 0.410 140 I N 3.725 124.459 120.570 0.273 0.000 2.355 140 I HA 0.274 4.441 4.170 -0.005 0.000 0.288 140 I C -0.173 176.006 176.117 0.104 0.000 0.999 140 I CA -0.188 61.221 61.300 0.182 0.000 1.163 140 I CB 1.492 39.607 38.000 0.192 0.000 1.316 140 I HN 0.452 nan 8.210 nan 0.000 0.454 141 S N 4.945 120.672 115.700 0.045 0.000 2.709 141 S HA 1.003 5.471 4.470 -0.005 0.000 0.302 141 S C -0.661 173.878 174.600 -0.102 0.000 1.127 141 S CA -0.783 57.415 58.200 -0.003 0.000 0.905 141 S CB 2.632 65.848 63.200 0.027 0.000 1.151 141 S HN 0.784 nan 8.310 nan 0.000 0.510 142 A N -0.663 122.084 122.820 -0.123 0.000 2.586 142 A HA 0.877 5.194 4.320 -0.005 0.000 0.291 142 A C -0.482 177.069 177.584 -0.055 0.000 1.062 142 A CA -0.372 51.520 52.037 -0.243 0.000 0.666 142 A CB 0.835 19.395 19.000 -0.733 0.000 1.281 142 A HN 1.905 nan 8.150 nan 0.000 0.421 143 G N -0.484 108.339 108.800 0.037 0.000 2.706 143 G HA2 0.616 4.574 3.960 -0.005 0.000 0.297 143 G HA3 0.616 4.574 3.960 -0.005 0.000 0.297 143 G C -1.514 173.550 174.900 0.272 0.000 1.403 143 G CA -0.252 44.977 45.100 0.215 0.000 0.954 143 G HN 1.678 nan 8.290 nan 0.000 0.500 144 W N 2.534 123.925 121.300 0.153 0.000 2.830 144 W HA 0.730 5.387 4.660 -0.005 0.000 0.335 144 W C -0.700 175.965 176.519 0.243 0.000 1.043 144 W CA -1.284 56.145 57.345 0.140 0.000 1.239 144 W CB 1.513 31.025 29.460 0.087 0.000 1.378 144 W HN 0.912 nan 8.180 nan 0.000 0.456 145 G N 1.716 110.684 108.800 0.279 0.000 3.108 145 G HA2 0.508 4.466 3.960 -0.005 0.000 0.268 145 G HA3 0.508 4.466 3.960 -0.005 0.000 0.268 145 G C -0.986 173.939 174.900 0.043 0.000 1.361 145 G CA -0.767 44.518 45.100 0.309 0.000 1.047 145 G HN 0.665 nan 8.290 nan 0.000 0.540 146 S N -1.275 114.520 115.700 0.157 0.000 2.790 146 S HA 0.491 4.959 4.470 -0.005 0.000 0.202 146 S C -0.138 174.509 174.600 0.079 0.000 1.383 146 S CA -0.631 57.648 58.200 0.132 0.000 1.026 146 S CB -0.263 63.120 63.200 0.304 0.000 1.253 146 S HN 0.690 nan 8.310 nan 0.000 0.489 147 N N 1.429 120.143 118.700 0.024 0.000 3.560 147 N HA -0.057 4.681 4.740 -0.005 0.000 0.139 147 N C -0.118 175.413 175.510 0.034 0.000 0.998 147 N CA 0.419 53.493 53.050 0.038 0.000 2.848 147 N CB -0.209 38.311 38.487 0.055 0.000 1.325 147 N HN 0.638 nan 8.380 nan 0.000 0.781 148 S N -1.564 114.103 115.700 -0.055 0.000 3.380 148 S HA -0.301 4.167 4.470 -0.005 0.000 0.300 148 S C -0.060 174.497 174.600 -0.071 0.000 1.255 148 S CA 0.936 59.087 58.200 -0.080 0.000 0.963 148 S CB -2.352 60.877 63.200 0.049 0.000 1.106 148 S HN 0.629 nan 8.310 nan 0.000 0.629 149 Y N 2.841 123.041 120.300 -0.166 0.000 2.377 149 Y HA 0.508 5.055 4.550 -0.005 0.000 0.330 149 Y C 0.235 176.015 175.900 -0.200 0.000 1.108 149 Y CA 0.216 58.240 58.100 -0.126 0.000 1.308 149 Y CB 0.610 39.039 38.460 -0.051 0.000 1.216 149 Y HN 0.505 nan 8.280 nan 0.000 0.518 150 Q N 6.780 125.968 119.800 -1.019 0.000 2.309 150 Q HA 0.246 4.583 4.340 -0.005 0.000 0.254 150 Q C -2.064 173.382 176.000 -0.923 0.000 0.938 150 Q CA -0.751 54.563 55.803 -0.815 0.000 0.789 150 Q CB 0.913 29.251 28.738 -0.668 0.000 1.313 150 Q HN 0.838 nan 8.270 nan 0.000 0.438 151 N N 4.209 122.557 118.700 -0.587 0.000 2.284 151 N HA 0.380 5.117 4.740 -0.005 0.000 0.300 151 N C -1.849 173.881 175.510 0.366 0.000 1.047 151 N CA -0.022 52.882 53.050 -0.243 0.000 0.821 151 N CB 1.288 39.677 38.487 -0.164 0.000 1.337 151 N HN 0.626 nan 8.380 nan 0.000 0.482 152 Y N 0.592 120.822 120.300 -0.116 0.000 2.406 152 Y HA 0.306 4.853 4.550 -0.005 0.000 0.340 152 Y C -0.552 175.372 175.900 0.040 0.000 0.975 152 Y CA -1.086 57.013 58.100 -0.003 0.000 1.056 152 Y CB 2.314 40.795 38.460 0.034 0.000 1.210 152 Y HN 0.493 nan 8.280 nan 0.000 0.448 153 D N 1.929 122.421 120.400 0.154 0.000 2.859 153 D HA 0.562 5.200 4.640 -0.005 0.000 0.223 153 D C -1.922 174.435 176.300 0.095 0.000 1.218 153 D CA -0.385 53.684 54.000 0.115 0.000 0.850 153 D CB 2.600 43.447 40.800 0.078 0.000 1.656 153 D HN 0.249 nan 8.370 nan 0.000 0.484 154 V N 1.939 121.909 119.914 0.094 0.000 2.623 154 V HA 0.682 4.799 4.120 -0.005 0.000 0.304 154 V C -0.339 175.799 176.094 0.072 0.000 1.054 154 V CA -0.644 61.713 62.300 0.096 0.000 0.882 154 V CB 1.588 33.476 31.823 0.109 0.000 1.002 154 V HN 0.603 nan 8.190 nan 0.000 0.424 155 S N 2.932 118.667 115.700 0.059 0.000 2.599 155 S HA 0.908 5.375 4.470 -0.005 0.000 0.287 155 S C -0.812 173.796 174.600 0.013 0.000 1.105 155 S CA -0.136 58.084 58.200 0.032 0.000 0.899 155 S CB 2.256 65.458 63.200 0.003 0.000 1.100 155 S HN 1.066 nan 8.310 nan 0.000 0.482 156 T N 1.517 116.076 114.554 0.008 0.000 2.886 156 T HA 0.487 4.834 4.350 -0.005 0.000 0.330 156 T C -2.333 172.367 174.700 -0.001 0.000 1.488 156 T CA -0.436 61.652 62.100 -0.021 0.000 1.054 156 T CB 1.743 70.590 68.868 -0.035 0.000 1.348 156 T HN 0.709 nan 8.240 nan 0.000 0.489 157 Q N 2.988 122.777 119.800 -0.019 0.000 2.309 157 Q HA 0.552 4.889 4.340 -0.005 0.000 0.254 157 Q C -1.938 174.053 176.000 -0.015 0.000 0.938 157 Q CA -0.533 55.269 55.803 -0.000 0.000 0.789 157 Q CB 1.326 30.064 28.738 0.000 0.000 1.313 157 Q HN 0.818 nan 8.270 nan 0.000 0.438 158 Q N 2.306 122.104 119.800 -0.003 0.000 2.438 158 Q HA 0.289 4.626 4.340 -0.005 0.000 0.272 158 Q C -1.475 174.528 176.000 0.006 0.000 0.994 158 Q CA -0.990 54.807 55.803 -0.009 0.000 0.887 158 Q CB 1.431 30.152 28.738 -0.028 0.000 1.432 158 Q HN 0.578 nan 8.270 nan 0.000 0.392 159 Q N 1.742 121.547 119.800 0.007 0.000 2.259 159 Q HA 0.562 4.899 4.340 -0.005 0.000 0.246 159 Q C -0.356 175.651 176.000 0.012 0.000 0.920 159 Q CA -1.040 54.773 55.803 0.017 0.000 0.895 159 Q CB 1.553 30.302 28.738 0.017 0.000 1.220 159 Q HN 0.771 nan 8.270 nan 0.000 0.439 160 L N 1.239 122.472 121.223 0.017 0.000 3.386 160 L HA -0.231 4.107 4.340 -0.005 0.000 0.686 160 L C 0.509 177.400 176.870 0.034 0.000 1.220 160 L CA 1.494 56.349 54.840 0.026 0.000 1.165 160 L CB -1.269 40.808 42.059 0.030 0.000 1.730 160 L HN 1.209 nan 8.230 nan 0.000 0.889 161 G N 1.098 109.918 108.800 0.033 0.000 2.493 161 G HA2 -0.106 3.852 3.960 -0.005 0.000 0.206 161 G HA3 -0.106 3.852 3.960 -0.005 0.000 0.206 161 G C 0.370 175.291 174.900 0.035 0.000 1.109 161 G CA 0.550 45.676 45.100 0.043 0.000 0.689 161 G HN 2.095 nan 8.290 nan 0.000 0.516 162 D N -0.638 119.776 120.400 0.023 0.000 3.070 162 D HA -0.159 4.478 4.640 -0.005 0.000 0.210 162 D C 0.676 176.977 176.300 0.002 0.000 1.103 162 D CA 2.488 56.495 54.000 0.012 0.000 0.980 162 D CB -1.661 39.148 40.800 0.016 0.000 1.100 162 D HN 0.800 nan 8.370 nan 0.000 0.423 163 K N -1.712 118.690 120.400 0.003 0.000 3.019 163 K HA 0.081 4.398 4.320 -0.005 0.000 0.192 163 K C -0.270 176.298 176.600 -0.054 0.000 1.680 163 K CA 0.532 56.788 56.287 -0.052 0.000 1.375 163 K CB 0.788 33.269 32.500 -0.032 0.000 1.968 163 K HN 0.078 nan 8.250 nan 0.000 0.624 164 T N 2.680 117.278 114.554 0.074 0.000 2.907 164 T HA 0.377 4.724 4.350 -0.005 0.000 0.284 164 T C -0.728 174.010 174.700 0.063 0.000 1.004 164 T CA -0.557 61.614 62.100 0.119 0.000 1.063 164 T CB 1.223 70.197 68.868 0.176 0.000 0.992 164 T HN 0.232 nan 8.240 nan 0.000 0.483 165 R N 0.287 120.824 120.500 0.062 0.000 2.740 165 R HA 0.788 5.125 4.340 -0.005 0.000 0.273 165 R C -2.104 174.233 176.300 0.062 0.000 0.998 165 R CA -0.866 55.263 56.100 0.049 0.000 0.900 165 R CB 1.211 31.530 30.300 0.032 0.000 1.223 165 R HN 0.379 nan 8.270 nan 0.000 0.466 166 V N 1.049 120.995 119.914 0.053 0.000 2.588 166 V HA 0.518 4.635 4.120 -0.005 0.000 0.304 166 V C -0.501 175.631 176.094 0.064 0.000 1.042 166 V CA -0.716 61.621 62.300 0.061 0.000 0.877 166 V CB 2.010 33.865 31.823 0.053 0.000 0.996 166 V HN 0.926 nan 8.190 nan 0.000 0.425 167 T N 5.535 120.143 114.554 0.091 0.000 2.863 167 T HA 0.839 5.186 4.350 -0.005 0.000 0.285 167 T C -0.708 174.075 174.700 0.139 0.000 1.009 167 T CA -0.481 61.689 62.100 0.116 0.000 0.989 167 T CB 1.586 70.557 68.868 0.172 0.000 1.004 167 T HN 0.430 nan 8.240 nan 0.000 0.455 168 L N 3.692 124.989 121.223 0.124 0.000 2.436 168 L HA 0.752 5.089 4.340 -0.005 0.000 0.268 168 L C -1.386 175.561 176.870 0.128 0.000 0.974 168 L CA -1.143 53.777 54.840 0.133 0.000 0.826 168 L CB 1.922 44.033 42.059 0.087 0.000 1.291 168 L HN 0.496 nan 8.230 nan 0.000 0.406 169 L N 0.991 122.310 121.223 0.160 0.000 2.434 169 L HA 1.065 5.403 4.340 -0.005 0.000 0.260 169 L C -0.630 176.305 176.870 0.108 0.000 0.983 169 L CA -0.593 54.308 54.840 0.102 0.000 0.820 169 L CB 1.950 44.032 42.059 0.039 0.000 1.361 169 L HN 0.471 nan 8.230 nan 0.000 0.410 170 G N 1.361 110.213 108.800 0.087 0.000 2.643 170 G HA2 0.572 4.530 3.960 -0.005 0.000 0.305 170 G HA3 0.572 4.530 3.960 -0.005 0.000 0.305 170 G C -1.978 172.976 174.900 0.089 0.000 1.387 170 G CA -0.335 44.819 45.100 0.089 0.000 0.982 170 G HN 0.916 nan 8.290 nan 0.000 0.501 171 D N 0.167 120.621 120.400 0.091 0.000 2.671 171 D HA 0.478 5.115 4.640 -0.005 0.000 0.232 171 D C -1.802 174.601 176.300 0.171 0.000 1.114 171 D CA -0.544 53.523 54.000 0.111 0.000 0.858 171 D CB 3.004 43.842 40.800 0.063 0.000 1.544 171 D HN 0.218 nan 8.370 nan 0.000 0.471 172 Y N 1.573 121.878 120.300 0.008 0.000 2.346 172 Y HA 0.584 5.131 4.550 -0.004 0.000 0.332 172 Y C -1.766 174.085 175.900 -0.082 0.000 0.985 172 Y CA -1.154 56.919 58.100 -0.046 0.000 1.112 172 Y CB 1.468 39.876 38.460 -0.087 0.000 1.170 172 Y HN 0.451 nan 8.280 nan 0.000 0.447 173 A N 7.179 129.802 122.820 -0.328 0.000 2.414 173 A HA 0.602 4.919 4.320 -0.005 0.000 0.286 173 A C -1.641 175.652 177.584 -0.484 0.000 1.073 173 A CA -0.470 51.268 52.037 -0.498 0.000 0.727 173 A CB 0.541 19.486 19.000 -0.092 0.000 1.215 173 A HN 1.012 nan 8.150 nan 0.000 0.430 174 H N 0.423 119.048 119.070 -0.743 0.000 2.949 174 H HA 0.762 5.316 4.556 -0.005 0.000 0.356 174 H C 0.115 175.257 175.328 -0.310 0.000 1.212 174 H CA -0.198 55.603 56.048 -0.411 0.000 1.136 174 H CB 2.067 31.642 29.762 -0.311 0.000 1.869 174 H HN 0.553 nan 8.280 nan 0.000 0.556 175 T N -2.049 112.754 114.554 0.415 0.000 3.166 175 T HA 0.344 4.691 4.350 -0.005 0.000 0.182 175 T C 0.077 174.847 174.700 0.116 0.000 0.810 175 T CA 0.343 62.636 62.100 0.322 0.000 1.441 175 T CB 0.223 69.237 68.868 0.245 0.000 2.201 175 T HN 0.892 nan 8.240 nan 0.000 0.414 197 F N 4.208 124.166 119.950 0.012 0.000 2.607 197 F HA 0.660 5.184 4.527 -0.005 0.000 0.322 197 F C -1.577 174.278 175.800 0.092 0.000 1.176 197 F CA -1.226 56.803 58.000 0.049 0.000 0.977 197 F CB 1.796 40.831 39.000 0.057 0.000 1.242 197 F HN 0.473 nan 8.300 nan 0.000 0.465 198 L N 6.014 126.925 121.223 -0.520 0.000 2.356 198 L HA 0.676 5.013 4.340 -0.005 0.000 0.277 198 L C -1.346 175.201 176.870 -0.539 0.000 0.996 198 L CA -0.319 54.324 54.840 -0.327 0.000 0.822 198 L CB 1.273 43.353 42.059 0.037 0.000 1.256 198 L HN 0.520 nan 8.230 nan 0.000 0.413 199 S N 4.951 120.426 115.700 -0.375 0.000 2.502 199 S HA 0.742 5.209 4.470 -0.005 0.000 0.304 199 S C -0.908 173.756 174.600 0.106 0.000 1.097 199 S CA -0.621 57.474 58.200 -0.174 0.000 1.045 199 S CB 0.989 64.072 63.200 -0.196 0.000 1.019 199 S HN 0.722 nan 8.310 nan 0.000 0.481 200 K N 2.462 122.941 120.400 0.132 0.000 2.378 200 K HA 0.650 4.967 4.320 -0.005 0.000 0.252 200 K C -1.340 175.348 176.600 0.146 0.000 0.931 200 K CA -0.746 55.631 56.287 0.151 0.000 0.794 200 K CB 2.209 34.755 32.500 0.075 0.000 1.181 200 K HN 0.593 nan 8.250 nan 0.000 0.425 201 T N 2.309 116.937 114.554 0.123 0.000 3.032 201 T HA 0.432 4.780 4.350 -0.005 0.000 0.312 201 T C -1.537 173.231 174.700 0.113 0.000 1.078 201 T CA -0.691 61.480 62.100 0.118 0.000 1.028 201 T CB 1.179 70.073 68.868 0.043 0.000 1.091 201 T HN 0.156 nan 8.240 nan 0.000 0.457 202 L N 3.147 124.455 121.223 0.140 0.000 2.386 202 L HA 0.702 5.039 4.340 -0.005 0.000 0.271 202 L C -1.343 175.645 176.870 0.197 0.000 0.993 202 L CA -0.821 54.106 54.840 0.144 0.000 0.819 202 L CB 1.644 43.777 42.059 0.123 0.000 1.294 202 L HN 0.786 nan 8.230 nan 0.000 0.414 203 Y N 1.987 122.305 120.300 0.030 0.000 2.441 203 Y HA 0.745 5.293 4.550 -0.004 0.000 0.334 203 Y C -0.301 175.610 175.900 0.018 0.000 1.061 203 Y CA -0.596 57.519 58.100 0.025 0.000 1.032 203 Y CB 2.198 40.647 38.460 -0.018 0.000 1.266 203 Y HN 0.605 nan 8.280 nan 0.000 0.441 204 G N 2.556 111.178 108.800 -0.296 0.000 2.612 204 G HA2 0.821 4.779 3.960 -0.005 0.000 0.298 204 G HA3 0.821 4.779 3.960 -0.005 0.000 0.298 204 G C -2.010 172.683 174.900 -0.345 0.000 1.336 204 G CA -0.437 44.564 45.100 -0.165 0.000 0.953 204 G HN 1.017 nan 8.290 nan 0.000 0.482 205 A N 0.022 122.778 122.820 -0.106 0.000 2.594 205 A HA 0.855 5.172 4.320 -0.005 0.000 0.291 205 A C -2.090 175.535 177.584 0.068 0.000 1.105 205 A CA -0.577 51.437 52.037 -0.037 0.000 0.694 205 A CB 2.043 21.050 19.000 0.013 0.000 1.291 205 A HN 1.049 nan 8.150 nan 0.000 0.410 206 L N 0.643 121.936 121.223 0.117 0.000 2.439 206 L HA 0.578 4.915 4.340 -0.005 0.000 0.270 206 L C -0.878 176.095 176.870 0.171 0.000 0.972 206 L CA 0.165 55.081 54.840 0.127 0.000 0.836 206 L CB 2.036 44.167 42.059 0.119 0.000 1.255 206 L HN 0.806 nan 8.230 nan 0.000 0.404 207 E N 2.902 123.186 120.200 0.141 0.000 2.182 207 E HA 0.343 4.690 4.350 -0.005 0.000 0.258 207 E C -1.248 175.416 176.600 0.107 0.000 0.879 207 E CA -0.417 56.071 56.400 0.146 0.000 0.754 207 E CB 1.252 31.013 29.700 0.103 0.000 1.162 207 E HN 0.404 nan 8.360 nan 0.000 0.419 208 H N 3.227 122.266 119.070 -0.052 0.000 2.505 208 H HA 0.380 4.933 4.556 -0.004 0.000 0.338 208 H C -1.067 174.034 175.328 -0.379 0.000 1.057 208 H CA -0.929 54.990 56.048 -0.215 0.000 1.202 208 H CB 1.120 30.704 29.762 -0.296 0.000 1.466 208 H HN 0.419 nan 8.280 nan 0.000 0.499 209 N N 4.793 123.001 118.700 -0.820 0.000 2.485 209 N HA 0.116 4.853 4.740 -0.005 0.000 0.243 209 N C 0.398 175.500 175.510 -0.681 0.000 0.987 209 N CA -0.321 52.392 53.050 -0.562 0.000 0.940 209 N CB 0.532 38.879 38.487 -0.235 0.000 1.122 209 N HN 0.437 nan 8.380 nan 0.000 0.509 210 F N -0.059 119.837 119.950 -0.091 0.000 2.102 210 F HA -0.110 4.414 4.527 -0.005 0.000 0.298 210 F C 1.861 177.711 175.800 0.083 0.000 1.105 210 F CA 0.739 58.769 58.000 0.051 0.000 1.239 210 F CB -0.285 38.821 39.000 0.177 0.000 0.991 210 F HN 0.383 nan 8.300 nan 0.000 0.474 211 T N -3.318 111.440 114.554 0.341 0.000 2.565 211 T HA 0.177 4.525 4.350 -0.005 0.000 0.266 211 T C -0.072 174.716 174.700 0.146 0.000 0.905 211 T CA -0.264 61.981 62.100 0.241 0.000 1.122 211 T CB 0.960 70.036 68.868 0.347 0.000 1.437 211 T HN 0.156 nan 8.240 nan 0.000 0.506 212 D N -0.034 120.434 120.400 0.113 0.000 2.434 212 D HA 0.448 5.085 4.640 -0.005 0.000 0.232 212 D C 0.894 177.192 176.300 -0.003 0.000 1.166 212 D CA 0.065 54.091 54.000 0.043 0.000 0.830 212 D CB 0.276 41.092 40.800 0.027 0.000 0.960 212 D HN 0.715 nan 8.370 nan 0.000 0.497 213 A N -0.549 122.284 122.820 0.022 0.000 2.442 213 A HA 0.186 4.503 4.320 -0.005 0.000 0.158 213 A C -0.549 176.912 177.584 -0.205 0.000 1.759 213 A CA -0.559 51.352 52.037 -0.210 0.000 1.304 213 A CB -0.098 18.694 19.000 -0.347 0.000 1.570 213 A HN 0.147 nan 8.150 nan 0.000 0.440 214 W N 1.822 123.239 121.300 0.196 0.000 2.429 214 W HA 0.602 5.260 4.660 -0.004 0.000 0.314 214 W C 0.083 176.870 176.519 0.446 0.000 1.062 214 W CA 0.217 57.784 57.345 0.369 0.000 1.211 214 W CB 1.847 31.546 29.460 0.399 0.000 1.305 214 W HN 0.332 nan 8.180 nan 0.000 0.476 215 S N 2.057 118.204 115.700 0.745 0.000 2.579 215 S HA 0.953 5.420 4.470 -0.005 0.000 0.272 215 S C -0.605 174.358 174.600 0.605 0.000 1.141 215 S CA -1.086 57.403 58.200 0.482 0.000 0.843 215 S CB 1.983 65.330 63.200 0.246 0.000 1.122 215 S HN 0.684 nan 8.310 nan 0.000 0.468 216 G N 0.279 109.305 108.800 0.378 0.000 2.690 216 G HA2 0.789 4.747 3.960 -0.005 0.000 0.293 216 G HA3 0.789 4.747 3.960 -0.005 0.000 0.293 216 G C -1.433 173.667 174.900 0.333 0.000 1.399 216 G CA -0.926 44.415 45.100 0.402 0.000 0.890 216 G HN 1.137 nan 8.290 nan 0.000 0.485 217 F N -0.775 119.295 119.950 0.201 0.000 2.662 217 F HA 0.820 5.345 4.527 -0.004 0.000 0.312 217 F C -0.833 175.060 175.800 0.154 0.000 1.113 217 F CA -1.650 56.441 58.000 0.151 0.000 0.951 217 F CB 1.910 40.989 39.000 0.132 0.000 1.344 217 F HN 0.608 nan 8.300 nan 0.000 0.462 218 V N 0.101 120.226 119.914 0.352 0.000 2.577 218 V HA 0.760 4.877 4.120 -0.005 0.000 0.303 218 V C -0.799 175.475 176.094 0.300 0.000 1.042 218 V CA -0.877 61.589 62.300 0.277 0.000 0.872 218 V CB 1.644 33.597 31.823 0.216 0.000 0.998 218 V HN 1.020 nan 8.190 nan 0.000 0.423 219 R N 2.136 122.802 120.500 0.278 0.000 2.628 219 R HA 0.801 5.138 4.340 -0.005 0.000 0.288 219 R C -0.378 175.739 176.300 -0.305 0.000 0.980 219 R CA -0.405 55.709 56.100 0.024 0.000 0.891 219 R CB 2.556 32.930 30.300 0.124 0.000 1.188 219 R HN 1.160 nan 8.270 nan 0.000 0.450 220 G N 2.678 111.035 108.800 -0.738 0.000 2.719 220 G HA2 0.556 4.514 3.960 -0.005 0.000 0.298 220 G HA3 0.556 4.514 3.960 -0.005 0.000 0.298 220 G C -1.845 172.516 174.900 -0.898 0.000 1.433 220 G CA -0.387 43.791 45.100 -1.536 0.000 1.034 220 G HN 0.506 nan 8.290 nan 0.000 0.517 221 Y N -0.269 119.582 120.300 -0.749 0.000 2.581 221 Y HA 0.860 5.408 4.550 -0.004 0.000 0.337 221 Y C -0.243 175.502 175.900 -0.259 0.000 1.108 221 Y CA -1.698 56.194 58.100 -0.346 0.000 1.033 221 Y CB 1.368 39.780 38.460 -0.079 0.000 1.318 221 Y HN 1.035 nan 8.280 nan 0.000 0.459 222 G N 1.139 110.034 108.800 0.157 0.000 2.720 222 G HA2 0.574 4.531 3.960 -0.005 0.000 0.295 222 G HA3 0.574 4.531 3.960 -0.005 0.000 0.295 222 G C -2.479 172.462 174.900 0.069 0.000 1.437 222 G CA -1.011 44.044 45.100 -0.074 0.000 0.886 222 G HN 1.114 nan 8.290 nan 0.000 0.509 223 Y N -0.168 120.049 120.300 -0.140 0.000 2.492 223 Y HA 0.735 5.283 4.550 -0.004 0.000 0.346 223 Y C -1.163 174.767 175.900 0.049 0.000 0.997 223 Y CA -1.740 56.338 58.100 -0.038 0.000 1.025 223 Y CB 2.491 40.893 38.460 -0.096 0.000 1.263 223 Y HN 0.473 nan 8.280 nan 0.000 0.454 224 D N 2.325 122.903 120.400 0.296 0.000 2.440 224 D HA 0.290 4.927 4.640 -0.005 0.000 0.239 224 D C -1.448 174.983 176.300 0.218 0.000 1.084 224 D CA -0.486 53.707 54.000 0.321 0.000 0.843 224 D CB 0.941 41.939 40.800 0.330 0.000 1.097 224 D HN 0.639 nan 8.370 nan 0.000 0.531 225 N N 2.507 121.350 118.700 0.238 0.000 2.405 225 N HA 0.492 5.229 4.740 -0.005 0.000 0.299 225 N C -0.617 174.996 175.510 0.171 0.000 1.075 225 N CA -0.499 52.653 53.050 0.170 0.000 0.884 225 N CB 1.698 40.392 38.487 0.345 0.000 1.194 225 N HN 0.328 nan 8.380 nan 0.000 0.491 226 R N 0.063 120.612 120.500 0.083 0.000 2.480 226 R HA 0.564 4.901 4.340 -0.005 0.000 0.306 226 R C -0.970 175.469 176.300 0.231 0.000 0.958 226 R CA -0.417 55.758 56.100 0.125 0.000 0.861 226 R CB 1.560 31.901 30.300 0.069 0.000 1.171 226 R HN 0.404 nan 8.270 nan 0.000 0.445 227 T N 2.855 117.556 114.554 0.246 0.000 2.890 227 T HA 0.348 4.695 4.350 -0.005 0.000 0.295 227 T C -0.540 174.211 174.700 0.086 0.000 0.993 227 T CA -0.751 61.520 62.100 0.285 0.000 0.979 227 T CB 0.806 69.825 68.868 0.252 0.000 0.967 227 T HN 0.376 nan 8.240 nan 0.000 0.441 242 T N 0.709 115.051 114.554 -0.353 0.000 2.932 242 T HA 0.314 4.661 4.350 -0.005 0.000 0.312 242 T C 0.165 174.515 174.700 -0.584 0.000 1.071 242 T CA 0.175 61.958 62.100 -0.528 0.000 1.128 242 T CB 0.409 68.778 68.868 -0.833 0.000 0.984 242 T HN 0.327 nan 8.240 nan 0.000 0.549 243 R N 2.035 122.367 120.500 -0.279 0.000 2.628 243 R HA 0.495 4.832 4.340 -0.005 0.000 0.288 243 R C -1.284 175.050 176.300 0.057 0.000 0.980 243 R CA -0.828 55.220 56.100 -0.086 0.000 0.891 243 R CB 1.003 31.307 30.300 0.007 0.000 1.188 243 R HN 0.452 nan 8.270 nan 0.000 0.450 244 K N 6.181 126.692 120.400 0.185 0.000 2.613 244 K HA 0.308 4.625 4.320 -0.005 0.000 0.248 244 K C -1.851 174.916 176.600 0.279 0.000 0.959 244 K CA -0.539 55.891 56.287 0.239 0.000 0.855 244 K CB 1.354 34.008 32.500 0.256 0.000 1.143 244 K HN 0.612 nan 8.250 nan 0.000 0.437 245 L N 5.278 126.648 121.223 0.244 0.000 2.346 245 L HA 0.488 4.825 4.340 -0.005 0.000 0.276 245 L C -1.695 175.311 176.870 0.227 0.000 1.006 245 L CA -0.918 54.055 54.840 0.221 0.000 0.817 245 L CB 1.244 43.419 42.059 0.194 0.000 1.272 245 L HN 0.695 nan 8.230 nan 0.000 0.421 246 Y N 3.398 123.699 120.300 0.001 0.000 2.429 246 Y HA 0.564 5.111 4.550 -0.005 0.000 0.342 246 Y C -0.491 175.251 175.900 -0.262 0.000 1.004 246 Y CA -0.394 57.636 58.100 -0.116 0.000 1.075 246 Y CB 2.097 40.516 38.460 -0.068 0.000 1.214 246 Y HN 0.563 nan 8.280 nan 0.000 0.455 247 S N 4.424 119.514 115.700 -1.017 0.000 2.569 247 S HA 0.670 5.138 4.470 -0.005 0.000 0.280 247 S C -1.866 172.114 174.600 -1.033 0.000 1.111 247 S CA -0.676 56.968 58.200 -0.928 0.000 0.887 247 S CB 1.245 63.920 63.200 -0.874 0.000 1.095 247 S HN 0.761 nan 8.310 nan 0.000 0.476 248 Q N 1.226 120.656 119.800 -0.616 0.000 2.340 248 Q HA 0.748 5.086 4.340 -0.005 0.000 0.276 248 Q C -1.598 174.175 176.000 -0.379 0.000 1.048 248 Q CA -0.865 54.665 55.803 -0.455 0.000 0.832 248 Q CB 1.765 30.358 28.738 -0.242 0.000 1.373 248 Q HN 0.394 nan 8.270 nan 0.000 0.409 249 S N 1.504 116.822 115.700 -0.638 0.000 2.521 249 S HA 0.692 5.160 4.470 -0.005 0.000 0.295 249 S C -1.827 172.378 174.600 -0.658 0.000 1.098 249 S CA -0.555 57.259 58.200 -0.644 0.000 0.999 249 S CB 0.730 63.296 63.200 -1.057 0.000 1.034 249 S HN 0.554 nan 8.310 nan 0.000 0.483 250 W N 1.765 122.985 121.300 -0.133 0.000 2.781 250 W HA 0.503 5.161 4.660 -0.004 0.000 0.333 250 W C -1.014 175.546 176.519 0.070 0.000 1.047 250 W CA -0.390 56.957 57.345 0.002 0.000 1.236 250 W CB 1.496 31.029 29.460 0.121 0.000 1.394 250 W HN 0.454 nan 8.180 nan 0.000 0.466 251 D N 1.884 122.455 120.400 0.286 0.000 2.575 251 D HA 0.785 5.422 4.640 -0.005 0.000 0.236 251 D C -1.020 175.462 176.300 0.303 0.000 1.075 251 D CA -0.587 53.600 54.000 0.311 0.000 0.860 251 D CB 1.992 43.005 40.800 0.355 0.000 1.475 251 D HN 0.345 nan 8.370 nan 0.000 0.474 252 A N 0.498 123.402 122.820 0.141 0.000 2.520 252 A HA 0.901 5.219 4.320 -0.005 0.000 0.298 252 A C -0.512 176.783 177.584 -0.481 0.000 1.051 252 A CA -0.476 51.458 52.037 -0.172 0.000 0.690 252 A CB 1.973 20.951 19.000 -0.036 0.000 1.281 252 A HN 0.616 nan 8.150 nan 0.000 0.402 253 G N 0.046 108.147 108.800 -1.166 0.000 2.698 253 G HA2 0.576 4.533 3.960 -0.005 0.000 0.293 253 G HA3 0.576 4.533 3.960 -0.005 0.000 0.293 253 G C -1.884 172.778 174.900 -0.397 0.000 1.437 253 G CA -0.513 44.096 45.100 -0.819 0.000 0.852 253 G HN 0.749 nan 8.290 nan 0.000 0.499 254 L N 0.839 122.083 121.223 0.035 0.000 2.341 254 L HA 0.694 5.031 4.340 -0.005 0.000 0.278 254 L C -0.136 176.975 176.870 0.401 0.000 1.005 254 L CA -0.914 54.092 54.840 0.277 0.000 0.818 254 L CB 1.977 44.189 42.059 0.256 0.000 1.259 254 L HN 0.549 nan 8.230 nan 0.000 0.418 255 R N 3.005 123.793 120.500 0.481 0.000 2.795 255 R HA 0.465 4.802 4.340 -0.005 0.000 0.275 255 R C -1.764 174.716 176.300 0.301 0.000 0.981 255 R CA -0.928 55.410 56.100 0.397 0.000 0.917 255 R CB 2.704 33.205 30.300 0.335 0.000 1.202 255 R HN 0.401 nan 8.270 nan 0.000 0.469 256 Y N 1.665 121.936 120.300 -0.048 0.000 2.329 256 Y HA 0.328 4.876 4.550 -0.005 0.000 0.328 256 Y C -1.413 174.358 175.900 -0.215 0.000 0.992 256 Y CA -0.918 56.909 58.100 -0.455 0.000 1.151 256 Y CB 1.568 39.426 38.460 -1.002 0.000 1.150 256 Y HN 0.706 nan 8.280 nan 0.000 0.450 257 N N 4.165 122.465 118.700 -0.666 0.000 2.524 257 N HA 0.621 5.358 4.740 -0.005 0.000 0.261 257 N C -0.729 174.349 175.510 -0.720 0.000 0.998 257 N CA -0.133 52.620 53.050 -0.496 0.000 0.915 257 N CB 1.416 39.786 38.487 -0.195 0.000 1.187 257 N HN 0.873 nan 8.380 nan 0.000 0.507 258 G N 1.426 109.811 108.800 -0.693 0.000 3.075 258 G HA2 0.220 4.177 3.960 -0.005 0.000 0.253 258 G HA3 0.220 4.177 3.960 -0.005 0.000 0.253 258 G C 0.299 175.087 174.900 -0.186 0.000 1.353 258 G CA -0.330 44.496 45.100 -0.456 0.000 1.051 258 G HN 0.477 nan 8.290 nan 0.000 0.553 259 E N -1.357 118.785 120.200 -0.097 0.000 2.070 259 E HA -0.084 4.263 4.350 -0.005 0.000 0.197 259 E C 2.196 178.765 176.600 -0.051 0.000 1.004 259 E CA 1.350 57.716 56.400 -0.057 0.000 0.805 259 E CB -0.063 29.621 29.700 -0.026 0.000 0.744 259 E HN 0.257 nan 8.360 nan 0.000 0.451 260 L N -1.221 119.982 121.223 -0.034 0.000 2.600 260 L HA 0.306 4.643 4.340 -0.005 0.000 0.213 260 L C 0.253 177.095 176.870 -0.046 0.000 1.045 260 L CA 0.264 55.081 54.840 -0.038 0.000 0.863 260 L CB 0.264 42.310 42.059 -0.022 0.000 1.189 260 L HN -0.035 nan 8.230 nan 0.000 0.484 261 I N 0.449 121.026 120.570 0.011 0.000 2.353 261 I HA 0.202 4.369 4.170 -0.005 0.000 0.293 261 I C -0.290 175.843 176.117 0.027 0.000 0.992 261 I CA -0.346 60.970 61.300 0.028 0.000 1.268 261 I CB 1.060 39.123 38.000 0.105 0.000 1.387 261 I HN 0.006 nan 8.210 nan 0.000 0.478 262 K N 4.024 124.361 120.400 -0.105 0.000 2.345 262 K HA 0.581 4.898 4.320 -0.005 0.000 0.255 262 K C -0.931 175.630 176.600 -0.064 0.000 0.934 262 K CA -0.389 55.818 56.287 -0.133 0.000 0.801 262 K CB 2.177 34.459 32.500 -0.364 0.000 1.137 262 K HN 0.599 nan 8.250 nan 0.000 0.424 263 S N 2.556 118.387 115.700 0.218 0.000 2.556 263 S HA 0.437 4.904 4.470 -0.005 0.000 0.271 263 S C -2.106 172.768 174.600 0.457 0.000 1.135 263 S CA -0.740 57.662 58.200 0.336 0.000 0.858 263 S CB 1.333 64.711 63.200 0.297 0.000 1.114 263 S HN 0.612 nan 8.310 nan 0.000 0.468 264 Q N 3.346 123.443 119.800 0.495 0.000 2.309 264 Q HA 0.655 4.992 4.340 -0.005 0.000 0.273 264 Q C -2.050 174.272 176.000 0.538 0.000 1.040 264 Q CA -1.067 55.004 55.803 0.447 0.000 0.834 264 Q CB 1.740 30.660 28.738 0.304 0.000 1.345 264 Q HN 0.565 nan 8.270 nan 0.000 0.414 265 L N 4.995 126.485 121.223 0.445 0.000 2.376 265 L HA 0.657 4.994 4.340 -0.005 0.000 0.275 265 L C -1.833 175.183 176.870 0.244 0.000 0.987 265 L CA -0.599 54.459 54.840 0.364 0.000 0.828 265 L CB 1.261 43.432 42.059 0.185 0.000 1.249 265 L HN 0.913 nan 8.230 nan 0.000 0.409 266 I N 3.326 124.040 120.570 0.238 0.000 2.730 266 I HA 0.430 4.598 4.170 -0.005 0.000 0.298 266 I C -0.340 175.884 176.117 0.179 0.000 1.089 266 I CA -0.412 61.014 61.300 0.209 0.000 1.041 266 I CB 2.615 40.785 38.000 0.284 0.000 1.235 266 I HN 0.479 nan 8.210 nan 0.000 0.423 267 T N 3.126 117.773 114.554 0.154 0.000 2.881 267 T HA 0.503 4.850 4.350 -0.005 0.000 0.291 267 T C -1.200 173.620 174.700 0.199 0.000 0.990 267 T CA -0.367 61.826 62.100 0.155 0.000 0.976 267 T CB 1.298 70.224 68.868 0.096 0.000 0.970 267 T HN 0.546 nan 8.240 nan 0.000 0.438 268 S N 3.110 118.942 115.700 0.221 0.000 2.549 268 S HA 0.764 5.231 4.470 -0.005 0.000 0.280 268 S C -2.025 172.738 174.600 0.271 0.000 1.109 268 S CA -0.570 57.771 58.200 0.235 0.000 0.905 268 S CB 1.191 64.506 63.200 0.191 0.000 1.081 268 S HN 0.657 nan 8.310 nan 0.000 0.477 269 Y N 2.131 122.484 120.300 0.087 0.000 2.396 269 Y HA 0.703 5.251 4.550 -0.004 0.000 0.332 269 Y C -0.970 174.916 175.900 -0.023 0.000 1.034 269 Y CA -0.308 57.780 58.100 -0.019 0.000 1.057 269 Y CB 1.682 40.156 38.460 0.023 0.000 1.220 269 Y HN 0.543 nan 8.280 nan 0.000 0.440 270 S N 4.864 120.117 115.700 -0.745 0.000 2.542 270 S HA 0.433 4.900 4.470 -0.005 0.000 0.293 270 S C -1.974 172.209 174.600 -0.695 0.000 1.089 270 S CA -0.612 57.234 58.200 -0.589 0.000 0.961 270 S CB 0.939 63.978 63.200 -0.268 0.000 1.062 270 S HN 0.822 nan 8.310 nan 0.000 0.483 271 H N 1.264 119.999 119.070 -0.558 0.000 3.078 271 H HA 0.473 5.026 4.556 -0.005 0.000 0.319 271 H C -0.832 174.361 175.328 -0.225 0.000 0.995 271 H CA -0.405 55.426 56.048 -0.361 0.000 1.417 271 H CB 0.757 30.372 29.762 -0.246 0.000 1.598 271 H HN 0.595 nan 8.280 nan 0.000 0.515 272 S N 4.730 120.418 115.700 -0.021 0.000 2.501 272 S HA 0.514 4.981 4.470 -0.005 0.000 0.301 272 S C -0.840 173.716 174.600 -0.073 0.000 1.096 272 S CA -0.931 57.203 58.200 -0.110 0.000 1.063 272 S CB 2.061 65.231 63.200 -0.051 0.000 1.042 272 S HN 0.646 nan 8.310 nan 0.000 0.494 273 K N 1.929 122.285 120.400 -0.073 0.000 2.502 273 K HA 0.361 4.679 4.320 -0.005 0.000 0.254 273 K C -1.854 174.747 176.600 0.001 0.000 0.947 273 K CA -0.518 55.738 56.287 -0.052 0.000 0.834 273 K CB 1.641 34.149 32.500 0.013 0.000 1.112 273 K HN 0.652 nan 8.250 nan 0.000 0.427 274 D N 2.588 122.946 120.400 -0.069 0.000 2.464 274 D HA 0.155 4.792 4.640 -0.005 0.000 0.243 274 D C -1.340 174.952 176.300 -0.013 0.000 1.104 274 D CA -0.392 53.619 54.000 0.018 0.000 0.883 274 D CB 0.360 41.179 40.800 0.032 0.000 1.050 274 D HN 0.303 nan 8.370 nan 0.000 0.524 275 Y N 2.661 123.031 120.300 0.117 0.000 2.452 275 Y HA 0.302 4.850 4.550 -0.005 0.000 0.348 275 Y C 0.760 176.773 175.900 0.190 0.000 0.985 275 Y CA -0.361 57.835 58.100 0.161 0.000 1.214 275 Y CB 0.627 39.201 38.460 0.191 0.000 1.136 275 Y HN 0.215 nan 8.280 nan 0.000 0.523 276 N N 4.272 123.136 118.700 0.274 0.000 2.399 276 N HA 0.361 5.098 4.740 -0.005 0.000 0.295 276 N C -1.134 174.549 175.510 0.288 0.000 1.048 276 N CA -0.350 52.808 53.050 0.180 0.000 0.886 276 N CB 2.041 40.582 38.487 0.090 0.000 1.185 276 N HN 0.665 nan 8.380 nan 0.000 0.487 289 T N -0.557 114.082 114.554 0.142 0.000 2.903 289 T HA 0.793 5.140 4.350 -0.005 0.000 0.299 289 T C -1.058 173.672 174.700 0.049 0.000 1.093 289 T CA -0.673 61.479 62.100 0.086 0.000 1.002 289 T CB 1.513 70.424 68.868 0.071 0.000 1.127 289 T HN 1.969 nan 8.240 nan 0.000 0.488 290 L N 1.235 122.434 121.223 -0.039 0.000 2.410 290 L HA 0.772 5.109 4.340 -0.005 0.000 0.270 290 L C -1.891 174.892 176.870 -0.144 0.000 0.983 290 L CA -0.308 54.402 54.840 -0.216 0.000 0.822 290 L CB 2.127 43.968 42.059 -0.364 0.000 1.285 290 L HN 0.735 nan 8.230 nan 0.000 0.409 291 D N 3.930 124.236 120.400 -0.157 0.000 2.502 291 D HA 0.470 5.108 4.640 -0.005 0.000 0.249 291 D C -0.986 175.269 176.300 -0.075 0.000 1.092 291 D CA -0.103 53.856 54.000 -0.067 0.000 0.839 291 D CB 2.300 43.090 40.800 -0.017 0.000 1.264 291 D HN 0.684 nan 8.370 nan 0.000 0.511 295 Q N 3.078 122.623 119.800 -0.425 0.000 2.330 295 Q HA 0.445 4.782 4.340 -0.005 0.000 0.269 295 Q C -1.648 174.177 176.000 -0.291 0.000 1.022 295 Q CA -0.770 54.892 55.803 -0.234 0.000 0.796 295 Q CB 1.143 29.825 28.738 -0.094 0.000 1.271 295 Q HN 0.496 nan 8.270 nan 0.000 0.450 296 Y N 1.162 121.543 120.300 0.134 0.000 2.364 296 Y HA 0.533 5.080 4.550 -0.005 0.000 0.340 296 Y C -0.085 175.898 175.900 0.138 0.000 0.975 296 Y CA -0.667 57.539 58.100 0.177 0.000 1.089 296 Y CB 2.502 41.059 38.460 0.163 0.000 1.192 296 Y HN 0.399 nan 8.280 nan 0.000 0.454 297 T N 3.108 117.834 114.554 0.285 0.000 2.886 297 T HA 0.673 5.020 4.350 -0.005 0.000 0.292 297 T C -1.276 173.547 174.700 0.206 0.000 1.012 297 T CA -0.686 61.547 62.100 0.221 0.000 0.982 297 T CB 1.521 70.500 68.868 0.185 0.000 1.018 297 T HN 0.335 nan 8.240 nan 0.000 0.451 298 V N 4.189 124.214 119.914 0.186 0.000 2.623 298 V HA 0.586 4.704 4.120 -0.005 0.000 0.304 298 V C -0.939 175.272 176.094 0.195 0.000 1.054 298 V CA -0.917 61.486 62.300 0.173 0.000 0.882 298 V CB 1.866 33.770 31.823 0.135 0.000 1.002 298 V HN 0.958 nan 8.190 nan 0.000 0.424 299 Q N 3.279 123.213 119.800 0.225 0.000 2.379 299 Q HA 0.667 5.004 4.340 -0.005 0.000 0.278 299 Q C -1.852 174.367 176.000 0.364 0.000 1.068 299 Q CA -0.831 55.135 55.803 0.272 0.000 0.816 299 Q CB 2.913 31.804 28.738 0.255 0.000 1.387 299 Q HN 0.606 nan 8.270 nan 0.000 0.413 300 W N 1.503 122.884 121.300 0.135 0.000 2.900 300 W HA 0.768 5.426 4.660 -0.004 0.000 0.336 300 W C -1.816 174.782 176.519 0.132 0.000 1.064 300 W CA -0.548 56.873 57.345 0.128 0.000 1.237 300 W CB 1.808 31.323 29.460 0.092 0.000 1.391 300 W HN 0.900 nan 8.180 nan 0.000 0.468 301 A N 4.908 127.669 122.820 -0.099 0.000 2.515 301 A HA 0.853 5.170 4.320 -0.005 0.000 0.296 301 A C -1.453 176.014 177.584 -0.196 0.000 1.094 301 A CA -0.819 51.131 52.037 -0.146 0.000 0.718 301 A CB 1.640 20.776 19.000 0.226 0.000 1.307 301 A HN 0.707 nan 8.150 nan 0.000 0.408 302 N N 0.499 119.071 118.700 -0.215 0.000 2.455 302 N HA 0.593 5.330 4.740 -0.005 0.000 0.278 302 N C -1.475 173.859 175.510 -0.294 0.000 1.291 302 N CA -0.831 52.087 53.050 -0.221 0.000 0.780 302 N CB 1.940 40.226 38.487 -0.335 0.000 1.520 302 N HN 0.632 nan 8.380 nan 0.000 0.486 303 N N 0.629 119.034 118.700 -0.491 0.000 2.371 303 N HA 0.479 5.216 4.740 -0.005 0.000 0.280 303 N C -2.000 173.298 175.510 -0.353 0.000 1.084 303 N CA -0.336 52.398 53.050 -0.526 0.000 0.892 303 N CB 1.938 39.766 38.487 -1.100 0.000 1.653 303 N HN 0.321 nan 8.380 nan 0.000 0.480 304 V N 0.234 120.014 119.914 -0.224 0.000 2.962 304 V HA 0.630 4.747 4.120 -0.005 0.000 0.313 304 V C 0.283 176.309 176.094 -0.113 0.000 1.099 304 V CA -0.947 61.261 62.300 -0.152 0.000 0.971 304 V CB 1.976 33.735 31.823 -0.106 0.000 1.028 304 V HN 0.529 nan 8.190 nan 0.000 0.430 305 I N 2.548 123.062 120.570 -0.092 0.000 2.260 305 I HA 0.215 4.382 4.170 -0.005 0.000 0.297 305 I C -0.251 175.824 176.117 -0.069 0.000 1.143 305 I CA -0.153 61.104 61.300 -0.072 0.000 1.271 305 I CB 1.045 39.006 38.000 -0.064 0.000 1.461 305 I HN 0.452 nan 8.210 nan 0.000 0.530 306 V N 6.607 126.482 119.914 -0.065 0.000 2.180 306 V HA 0.586 4.704 4.120 -0.005 0.000 0.265 306 V C 0.889 176.932 176.094 -0.084 0.000 1.214 306 V CA 0.214 62.474 62.300 -0.067 0.000 1.130 306 V CB -0.600 31.191 31.823 -0.053 0.000 1.266 306 V HN 1.119 nan 8.190 nan 0.000 0.473 307 G N 2.764 111.480 108.800 -0.140 0.000 2.785 307 G HA2 -0.177 3.780 3.960 -0.005 0.000 0.218 307 G HA3 -0.177 3.780 3.960 -0.005 0.000 0.218 307 G C -0.113 174.572 174.900 -0.358 0.000 1.251 307 G CA -0.156 44.778 45.100 -0.276 0.000 1.129 307 G HN 0.622 nan 8.290 nan 0.000 0.573 308 H N 1.832 120.916 119.070 0.024 0.000 2.591 308 H HA 0.556 5.110 4.556 -0.004 0.000 0.302 308 H C 0.940 176.289 175.328 0.035 0.000 1.163 308 H CA 1.000 57.067 56.048 0.032 0.000 1.049 308 H CB 0.288 30.078 29.762 0.047 0.000 1.543 308 H HN 1.187 nan 8.280 nan 0.000 0.523 309 G N -0.592 108.248 108.800 0.066 0.000 2.566 309 G HA2 0.304 4.262 3.960 -0.005 0.000 0.138 309 G HA3 0.304 4.262 3.960 -0.005 0.000 0.138 309 G C -1.102 173.804 174.900 0.010 0.000 1.133 309 G CA -0.155 44.977 45.100 0.054 0.000 1.037 309 G HN 0.390 nan 8.290 nan 0.000 0.491 310 S N -1.220 114.488 115.700 0.013 0.000 2.776 310 S HA 0.849 5.316 4.470 -0.005 0.000 0.292 310 S C -1.411 173.182 174.600 -0.012 0.000 1.187 310 S CA -0.779 57.409 58.200 -0.021 0.000 0.834 310 S CB 2.267 65.441 63.200 -0.044 0.000 1.199 310 S HN 1.301 nan 8.310 nan 0.000 0.514 311 I N 0.481 121.027 120.570 -0.040 0.000 2.692 311 I HA 0.681 4.849 4.170 -0.005 0.000 0.293 311 I C -0.382 175.699 176.117 -0.061 0.000 1.200 311 I CA -0.071 61.209 61.300 -0.032 0.000 1.036 311 I CB 1.691 39.665 38.000 -0.044 0.000 1.258 311 I HN 1.145 nan 8.210 nan 0.000 0.421 312 G N 4.276 113.058 108.800 -0.030 0.000 2.694 312 G HA2 0.913 4.870 3.960 -0.005 0.000 0.290 312 G HA3 0.913 4.870 3.960 -0.005 0.000 0.290 312 G C -1.884 172.979 174.900 -0.060 0.000 1.386 312 G CA -0.438 44.637 45.100 -0.042 0.000 0.872 312 G HN 0.883 nan 8.290 nan 0.000 0.475 313 A N -1.165 121.561 122.820 -0.157 0.000 2.594 313 A HA 0.961 5.278 4.320 -0.005 0.000 0.296 313 A C -0.294 176.958 177.584 -0.554 0.000 1.056 313 A CA 0.155 51.962 52.037 -0.383 0.000 0.693 313 A CB 1.519 20.338 19.000 -0.301 0.000 1.278 313 A HN 2.270 nan 8.150 nan 0.000 0.408 314 G N -0.759 107.437 108.800 -1.007 0.000 2.649 314 G HA2 0.723 4.680 3.960 -0.005 0.000 0.290 314 G HA3 0.723 4.680 3.960 -0.005 0.000 0.290 314 G C -1.525 173.106 174.900 -0.449 0.000 1.426 314 G CA -0.043 44.679 45.100 -0.630 0.000 0.794 314 G HN 1.593 nan 8.290 nan 0.000 0.483 315 V N 0.217 120.096 119.914 -0.059 0.000 2.604 315 V HA 0.702 4.819 4.120 -0.005 0.000 0.305 315 V C -0.815 175.401 176.094 0.204 0.000 1.043 315 V CA -0.785 61.565 62.300 0.085 0.000 0.888 315 V CB 1.692 33.597 31.823 0.137 0.000 0.995 315 V HN 0.761 nan 8.190 nan 0.000 0.429 323 T N 3.979 118.566 114.554 0.056 0.000 2.904 323 T HA 0.496 4.843 4.350 -0.005 0.000 0.290 323 T C -2.338 172.368 174.700 0.009 0.000 1.018 323 T CA -1.212 60.902 62.100 0.024 0.000 1.075 323 T CB 0.461 69.346 68.868 0.029 0.000 0.986 323 T HN 0.282 nan 8.240 nan 0.000 0.523 324 P HA 0.155 nan 4.420 nan 0.000 0.266 324 P C 0.919 178.218 177.300 -0.001 0.000 1.195 324 P CA 0.714 63.792 63.100 -0.037 0.000 0.768 324 P CB 0.218 31.884 31.700 -0.057 0.000 0.838 325 G N 1.638 110.448 108.800 0.017 0.000 2.220 325 G HA2 -0.263 3.695 3.960 -0.005 0.000 0.269 325 G HA3 -0.263 3.695 3.960 -0.005 0.000 0.269 325 G C 0.352 175.276 174.900 0.041 0.000 0.977 325 G CA 0.440 45.557 45.100 0.029 0.000 0.634 325 G HN 0.610 nan 8.290 nan 0.000 0.539 326 T N 1.577 116.157 114.554 0.044 0.000 2.853 326 T HA 0.560 4.908 4.350 -0.005 0.000 0.298 326 T C 0.988 175.740 174.700 0.087 0.000 0.978 326 T CA 1.396 63.526 62.100 0.051 0.000 1.152 326 T CB 0.896 69.796 68.868 0.054 0.000 0.914 326 T HN 2.087 nan 8.240 nan 0.000 0.539 332 G N -0.929 107.601 108.800 -0.449 0.000 2.389 332 G HA2 0.567 4.525 3.960 -0.005 0.000 0.317 332 G HA3 0.567 4.525 3.960 -0.005 0.000 0.317 332 G C -1.460 173.033 174.900 -0.677 0.000 1.137 332 G CA -0.409 44.441 45.100 -0.416 0.000 0.870 332 G HN 0.270 nan 8.290 nan 0.000 0.496 333 Y N -0.261 120.050 120.300 0.018 0.000 2.509 333 Y HA 0.471 5.018 4.550 -0.004 0.000 0.341 333 Y C -0.382 175.551 175.900 0.055 0.000 1.038 333 Y CA -1.145 56.967 58.100 0.020 0.000 1.089 333 Y CB 2.685 41.175 38.460 0.050 0.000 1.241 333 Y HN 0.474 nan 8.280 nan 0.000 0.468 334 D N 1.780 122.312 120.400 0.219 0.000 2.469 334 D HA 0.256 4.894 4.640 -0.005 0.000 0.251 334 D C -1.344 175.056 176.300 0.167 0.000 1.173 334 D CA -0.523 53.570 54.000 0.156 0.000 0.882 334 D CB 0.797 41.653 40.800 0.093 0.000 1.129 334 D HN 0.570 nan 8.370 nan 0.000 0.549 335 Q N 2.645 122.548 119.800 0.171 0.000 2.282 335 Q HA 0.637 4.974 4.340 -0.005 0.000 0.260 335 Q C -0.333 175.743 176.000 0.127 0.000 0.964 335 Q CA -0.779 55.116 55.803 0.154 0.000 0.880 335 Q CB 2.562 31.400 28.738 0.165 0.000 1.286 335 Q HN 0.244 nan 8.270 nan 0.000 0.445 336 R N 1.648 122.205 120.500 0.095 0.000 2.628 336 R HA 0.448 4.785 4.340 -0.005 0.000 0.288 336 R C -1.084 175.249 176.300 0.055 0.000 0.980 336 R CA -0.587 55.560 56.100 0.078 0.000 0.891 336 R CB 1.619 31.952 30.300 0.054 0.000 1.188 336 R HN 0.515 nan 8.270 nan 0.000 0.450 337 N N 0.957 119.701 118.700 0.074 0.000 2.260 337 N HA 0.386 5.124 4.740 -0.005 0.000 0.293 337 N C -1.675 173.885 175.510 0.083 0.000 1.058 337 N CA -0.219 52.869 53.050 0.064 0.000 0.824 337 N CB 2.560 41.114 38.487 0.111 0.000 1.551 337 N HN 0.416 nan 8.380 nan 0.000 0.475 338 T N 0.801 115.395 114.554 0.067 0.000 2.886 338 T HA 0.731 5.078 4.350 -0.005 0.000 0.292 338 T C -0.475 174.288 174.700 0.105 0.000 1.012 338 T CA -0.527 61.627 62.100 0.090 0.000 0.982 338 T CB 1.501 70.409 68.868 0.066 0.000 1.018 338 T HN 0.580 nan 8.240 nan 0.000 0.451 339 G N 1.753 110.639 108.800 0.143 0.000 2.612 339 G HA2 0.779 4.736 3.960 -0.005 0.000 0.298 339 G HA3 0.779 4.736 3.960 -0.005 0.000 0.298 339 G C -1.739 173.266 174.900 0.176 0.000 1.336 339 G CA -0.482 44.720 45.100 0.169 0.000 0.953 339 G HN 0.766 nan 8.290 nan 0.000 0.482 340 I N 1.348 122.016 120.570 0.162 0.000 2.534 340 I HA 0.632 4.799 4.170 -0.005 0.000 0.288 340 I C -1.540 174.662 176.117 0.143 0.000 1.077 340 I CA -1.151 60.207 61.300 0.097 0.000 1.051 340 I CB 1.890 39.912 38.000 0.036 0.000 1.234 340 I HN 0.707 nan 8.210 nan 0.000 0.425 341 Y N 6.717 127.032 120.300 0.025 0.000 2.609 341 Y HA 0.784 5.331 4.550 -0.005 0.000 0.342 341 Y C -1.796 174.102 175.900 -0.003 0.000 1.058 341 Y CA -1.389 56.721 58.100 0.016 0.000 1.055 341 Y CB 1.366 39.832 38.460 0.010 0.000 1.292 341 Y HN 0.445 nan 8.280 nan 0.000 0.476 342 L N 1.371 122.683 121.223 0.149 0.000 2.381 342 L HA 0.979 5.317 4.340 -0.005 0.000 0.268 342 L C -0.761 176.221 176.870 0.187 0.000 0.997 342 L CA -0.425 54.458 54.840 0.072 0.000 0.818 342 L CB 2.192 44.251 42.059 -0.000 0.000 1.310 342 L HN 0.983 nan 8.230 nan 0.000 0.416 343 T N -0.001 114.647 114.554 0.157 0.000 2.916 343 T HA 0.969 5.316 4.350 -0.005 0.000 0.292 343 T C -0.153 174.596 174.700 0.081 0.000 1.055 343 T CA -0.331 61.849 62.100 0.135 0.000 1.009 343 T CB 1.679 70.641 68.868 0.157 0.000 1.118 343 T HN 1.236 nan 8.240 nan 0.000 0.497 344 G N 0.952 109.799 108.800 0.079 0.000 2.760 344 G HA2 0.576 4.533 3.960 -0.005 0.000 0.296 344 G HA3 0.576 4.533 3.960 -0.005 0.000 0.296 344 G C -1.922 173.029 174.900 0.086 0.000 1.427 344 G CA -0.752 44.388 45.100 0.066 0.000 1.109 344 G HN 0.924 nan 8.290 nan 0.000 0.553 345 L N 1.673 122.944 121.223 0.080 0.000 2.343 345 L HA 0.658 4.995 4.340 -0.005 0.000 0.278 345 L C -1.043 175.898 176.870 0.117 0.000 0.996 345 L CA -0.831 54.069 54.840 0.100 0.000 0.831 345 L CB 2.036 44.140 42.059 0.075 0.000 1.232 345 L HN 0.468 nan 8.230 nan 0.000 0.413 346 Q N 3.329 123.235 119.800 0.178 0.000 2.337 346 Q HA 0.384 4.722 4.340 -0.005 0.000 0.270 346 Q C -1.391 174.765 176.000 0.260 0.000 1.043 346 Q CA -0.291 55.630 55.803 0.198 0.000 0.794 346 Q CB 2.400 31.240 28.738 0.170 0.000 1.281 346 Q HN 0.591 nan 8.270 nan 0.000 0.446 347 Q N 1.717 121.652 119.800 0.226 0.000 2.333 347 Q HA 0.694 5.031 4.340 -0.005 0.000 0.265 347 Q C -1.596 174.507 176.000 0.172 0.000 0.989 347 Q CA -0.562 55.358 55.803 0.194 0.000 0.842 347 Q CB 1.729 30.540 28.738 0.121 0.000 1.262 347 Q HN 0.473 nan 8.270 nan 0.000 0.451 348 V N 4.090 124.138 119.914 0.224 0.000 2.439 348 V HA 0.644 4.762 4.120 -0.005 0.000 0.277 348 V C -0.323 175.886 176.094 0.191 0.000 1.008 348 V CA 0.457 62.849 62.300 0.153 0.000 0.846 348 V CB 0.822 32.740 31.823 0.158 0.000 1.031 348 V HN 0.943 nan 8.190 nan 0.000 0.441 349 G N 5.672 114.535 108.800 0.104 0.000 2.427 349 G HA2 -0.157 3.800 3.960 -0.005 0.000 0.189 349 G HA3 -0.157 3.800 3.960 -0.005 0.000 0.189 349 G C 0.230 175.329 174.900 0.331 0.000 0.418 349 G CA 0.542 45.737 45.100 0.159 0.000 0.950 349 G HN 1.394 nan 8.290 nan 0.000 0.372 350 D N -1.140 119.394 120.400 0.222 0.000 3.068 350 D HA -0.212 4.425 4.640 -0.005 0.000 0.219 350 D C 0.444 176.807 176.300 0.106 0.000 1.175 350 D CA 2.345 56.468 54.000 0.205 0.000 0.942 350 D CB -1.032 39.964 40.800 0.327 0.000 1.127 350 D HN 0.576 nan 8.370 nan 0.000 0.404 351 F N -0.726 119.279 119.950 0.092 0.000 2.563 351 F HA 0.530 5.054 4.527 -0.005 0.000 0.316 351 F C 0.610 176.348 175.800 -0.104 0.000 1.076 351 F CA -0.431 57.560 58.000 -0.014 0.000 0.921 351 F CB 2.302 41.299 39.000 -0.005 0.000 1.209 351 F HN -0.438 nan 8.300 nan 0.000 0.462 352 T N 2.991 117.434 114.554 -0.185 0.000 2.876 352 T HA 0.670 5.017 4.350 -0.005 0.000 0.289 352 T C -1.477 172.929 174.700 -0.490 0.000 1.014 352 T CA -0.521 61.474 62.100 -0.174 0.000 0.986 352 T CB 0.806 69.615 68.868 -0.098 0.000 1.021 352 T HN 0.239 nan 8.240 nan 0.000 0.458 353 F N 1.584 121.594 119.950 0.100 0.000 2.547 353 F HA 0.554 5.079 4.527 -0.005 0.000 0.316 353 F C 0.247 176.085 175.800 0.064 0.000 1.121 353 F CA -0.823 57.228 58.000 0.086 0.000 0.911 353 F CB 2.014 41.066 39.000 0.087 0.000 1.179 353 F HN 0.414 nan 8.300 nan 0.000 0.443 354 E N 1.712 122.035 120.200 0.204 0.000 2.292 354 E HA 0.746 5.093 4.350 -0.005 0.000 0.272 354 E C -1.170 175.510 176.600 0.133 0.000 0.881 354 E CA -0.779 55.698 56.400 0.129 0.000 0.754 354 E CB 2.375 32.112 29.700 0.062 0.000 1.201 354 E HN 0.863 nan 8.360 nan 0.000 0.425 355 G N 1.296 110.168 108.800 0.120 0.000 2.718 355 G HA2 0.746 4.703 3.960 -0.005 0.000 0.295 355 G HA3 0.746 4.703 3.960 -0.005 0.000 0.295 355 G C -1.691 173.276 174.900 0.111 0.000 1.421 355 G CA -0.148 45.030 45.100 0.130 0.000 0.902 355 G HN 0.575 nan 8.290 nan 0.000 0.501 356 A N -0.522 122.371 122.820 0.122 0.000 2.572 356 A HA 1.071 5.388 4.320 -0.005 0.000 0.295 356 A C -0.545 177.140 177.584 0.169 0.000 1.072 356 A CA -0.115 51.993 52.037 0.118 0.000 0.691 356 A CB 1.817 20.843 19.000 0.044 0.000 1.291 356 A HN 2.474 nan 8.150 nan 0.000 0.404 357 A N 0.696 123.622 122.820 0.176 0.000 2.547 357 A HA 0.858 5.175 4.320 -0.005 0.000 0.297 357 A C -0.672 177.026 177.584 0.190 0.000 1.056 357 A CA -0.417 51.740 52.037 0.199 0.000 0.688 357 A CB 1.406 20.508 19.000 0.171 0.000 1.282 357 A HN 1.266 nan 8.150 nan 0.000 0.400 358 R N 0.552 121.164 120.500 0.187 0.000 2.771 358 R HA 0.772 5.109 4.340 -0.005 0.000 0.274 358 R C -1.355 175.040 176.300 0.157 0.000 0.987 358 R CA -0.207 56.013 56.100 0.200 0.000 0.908 358 R CB 2.125 32.551 30.300 0.211 0.000 1.213 358 R HN 0.761 nan 8.270 nan 0.000 0.468 359 S N 1.323 117.111 115.700 0.147 0.000 2.647 359 S HA 0.359 4.826 4.470 -0.005 0.000 0.300 359 S C -1.599 173.075 174.600 0.123 0.000 1.129 359 S CA -0.753 57.510 58.200 0.105 0.000 1.029 359 S CB 1.019 64.253 63.200 0.057 0.000 1.007 359 S HN 0.564 nan 8.310 nan 0.000 0.484 360 D N 2.739 123.215 120.400 0.128 0.000 2.192 360 D HA 0.316 4.953 4.640 -0.005 0.000 0.246 360 D C -1.248 175.072 176.300 0.035 0.000 1.042 360 D CA -0.277 53.802 54.000 0.130 0.000 0.847 360 D CB 1.767 42.704 40.800 0.229 0.000 1.186 360 D HN 0.435 nan 8.370 nan 0.000 0.461 361 D N 1.344 121.740 120.400 -0.007 0.000 2.481 361 D HA 0.198 4.835 4.640 -0.005 0.000 0.246 361 D C -1.007 175.194 176.300 -0.166 0.000 1.109 361 D CA -0.589 53.354 54.000 -0.095 0.000 0.845 361 D CB 0.841 41.613 40.800 -0.048 0.000 1.160 361 D HN 0.191 nan 8.370 nan 0.000 0.534 362 N N 1.045 119.502 118.700 -0.405 0.000 2.407 362 N HA 0.152 4.889 4.740 -0.005 0.000 0.277 362 N C 0.957 176.240 175.510 -0.378 0.000 0.995 362 N CA -0.414 52.322 53.050 -0.523 0.000 0.903 362 N CB 1.333 38.964 38.487 -1.427 0.000 1.218 362 N HN 0.137 nan 8.380 nan 0.000 0.487 363 S N 2.533 118.137 115.700 -0.159 0.000 2.488 363 S HA -0.223 4.244 4.470 -0.005 0.000 0.246 363 S C 1.237 175.825 174.600 -0.019 0.000 0.992 363 S CA 1.157 59.322 58.200 -0.058 0.000 0.963 363 S CB -0.174 63.032 63.200 0.010 0.000 0.754 363 S HN 0.764 nan 8.310 nan 0.000 0.519 364 Q N 0.392 120.170 119.800 -0.036 0.000 2.511 364 Q HA 0.103 4.440 4.340 -0.005 0.000 0.236 364 Q C 1.536 177.603 176.000 0.111 0.000 0.893 364 Q CA 0.830 56.685 55.803 0.086 0.000 0.947 364 Q CB -0.012 28.828 28.738 0.170 0.000 1.110 364 Q HN 0.774 nan 8.270 nan 0.000 0.591 365 F N -1.233 118.741 119.950 0.040 0.000 2.704 365 F HA 0.614 5.139 4.527 -0.004 0.000 0.304 365 F C 1.048 176.867 175.800 0.031 0.000 1.094 365 F CA 0.254 58.270 58.000 0.026 0.000 1.275 365 F CB 0.273 39.274 39.000 0.001 0.000 1.073 365 F HN 0.197 nan 8.300 nan 0.000 0.586 366 G N 1.735 110.326 108.800 -0.348 0.000 2.481 366 G HA2 -0.270 3.688 3.960 -0.005 0.000 0.230 366 G HA3 -0.270 3.688 3.960 -0.005 0.000 0.230 366 G C -0.604 174.139 174.900 -0.261 0.000 1.210 366 G CA -0.281 44.694 45.100 -0.208 0.000 0.936 366 G HN 0.679 nan 8.290 nan 0.000 0.583 367 R N 0.762 121.245 120.500 -0.028 0.000 2.308 367 R HA 0.564 4.901 4.340 -0.005 0.000 0.305 367 R C -0.378 176.025 176.300 0.172 0.000 1.053 367 R CA -0.400 55.716 56.100 0.027 0.000 0.957 367 R CB 0.342 30.655 30.300 0.022 0.000 1.022 367 R HN 0.787 nan 8.270 nan 0.000 0.461 368 H N 2.248 121.345 119.070 0.044 0.000 2.865 368 H HA 0.389 4.942 4.556 -0.005 0.000 0.362 368 H C -1.228 174.084 175.328 -0.025 0.000 1.114 368 H CA -0.497 55.549 56.048 -0.004 0.000 1.208 368 H CB 2.095 31.779 29.762 -0.130 0.000 1.727 368 H HN 0.903 nan 8.280 nan 0.000 0.534 369 G N 1.289 109.853 108.800 -0.394 0.000 2.489 369 G HA2 0.500 4.457 3.960 -0.005 0.000 0.327 369 G HA3 0.500 4.457 3.960 -0.005 0.000 0.327 369 G C -1.084 173.789 174.900 -0.045 0.000 1.189 369 G CA -0.453 44.571 45.100 -0.127 0.000 0.962 369 G HN 0.496 nan 8.290 nan 0.000 0.486 370 T N 1.243 115.883 114.554 0.143 0.000 3.097 370 T HA 0.594 4.941 4.350 -0.005 0.000 0.332 370 T C -1.712 173.184 174.700 0.327 0.000 1.269 370 T CA -0.558 61.688 62.100 0.244 0.000 1.076 370 T CB 0.912 69.952 68.868 0.287 0.000 1.209 370 T HN 0.728 nan 8.240 nan 0.000 0.474 371 W N 3.901 125.211 121.300 0.015 0.000 3.075 371 W HA 0.777 5.434 4.660 -0.005 0.000 0.334 371 W C -1.807 174.702 176.519 -0.016 0.000 1.243 371 W CA -1.140 56.215 57.345 0.016 0.000 1.170 371 W CB 0.771 30.254 29.460 0.039 0.000 1.452 371 W HN 0.813 nan 8.180 nan 0.000 0.572 372 Q N 1.085 120.932 119.800 0.079 0.000 2.472 372 Q HA 0.734 5.071 4.340 -0.005 0.000 0.281 372 Q C -1.529 174.500 176.000 0.048 0.000 0.997 372 Q CA -0.808 54.912 55.803 -0.138 0.000 0.828 372 Q CB 2.486 31.124 28.738 -0.167 0.000 1.443 372 Q HN 0.385 nan 8.270 nan 0.000 0.390 373 T N 0.826 115.383 114.554 0.006 0.000 2.993 373 T HA 0.621 4.968 4.350 -0.005 0.000 0.312 373 T C -1.041 173.706 174.700 0.080 0.000 1.115 373 T CA -0.673 61.501 62.100 0.123 0.000 1.027 373 T CB 1.800 70.807 68.868 0.233 0.000 1.116 373 T HN 0.555 nan 8.240 nan 0.000 0.464 374 S N 1.204 116.962 115.700 0.096 0.000 2.549 374 S HA 0.884 5.351 4.470 -0.005 0.000 0.280 374 S C -0.868 173.761 174.600 0.048 0.000 1.109 374 S CA -0.895 57.330 58.200 0.042 0.000 0.905 374 S CB 1.907 65.098 63.200 -0.016 0.000 1.081 374 S HN 1.074 nan 8.310 nan 0.000 0.477 375 A N 1.386 124.190 122.820 -0.027 0.000 2.356 375 A HA 0.885 5.202 4.320 -0.005 0.000 0.310 375 A C -0.045 177.418 177.584 -0.201 0.000 1.075 375 A CA -0.689 51.234 52.037 -0.190 0.000 0.746 375 A CB 1.303 20.283 19.000 -0.034 0.000 1.221 375 A HN 0.957 nan 8.150 nan 0.000 0.443 376 G N 0.131 108.766 108.800 -0.275 0.000 2.452 376 G HA2 0.539 4.497 3.960 -0.005 0.000 0.324 376 G HA3 0.539 4.497 3.960 -0.005 0.000 0.324 376 G C -1.590 173.223 174.900 -0.146 0.000 1.214 376 G CA -0.403 44.588 45.100 -0.181 0.000 0.947 376 G HN 0.842 nan 8.290 nan 0.000 0.478 377 W N 2.643 123.751 121.300 -0.320 0.000 2.587 377 W HA 0.497 5.155 4.660 -0.005 0.000 0.324 377 W C -0.574 175.798 176.519 -0.245 0.000 1.008 377 W CA -1.820 55.232 57.345 -0.488 0.000 1.265 377 W CB 1.344 30.586 29.460 -0.363 0.000 1.328 377 W HN 0.532 nan 8.180 nan 0.000 0.432 378 E N 5.451 125.555 120.200 -0.160 0.000 1.893 378 E HA 0.073 4.420 4.350 -0.005 0.000 0.269 378 E C 0.823 177.072 176.600 -0.586 0.000 1.129 378 E CA -0.266 55.908 56.400 -0.376 0.000 0.904 378 E CB -0.052 29.521 29.700 -0.212 0.000 1.077 378 E HN 0.425 nan 8.360 nan 0.000 0.407 379 F N 3.680 123.095 119.950 -0.893 0.000 2.407 379 F HA 0.255 4.779 4.527 -0.005 0.000 0.299 379 F C 0.285 175.876 175.800 -0.349 0.000 1.097 379 F CA -0.017 57.387 58.000 -0.993 0.000 1.422 379 F CB 0.045 38.214 39.000 -1.385 0.000 1.067 379 F HN 0.099 nan 8.300 nan 0.000 0.539 380 I N -0.109 120.165 120.570 -0.494 0.000 2.841 380 I HA 0.117 4.285 4.170 -0.005 0.000 0.298 380 I C -0.539 175.476 176.117 -0.171 0.000 1.304 380 I CA -1.149 60.031 61.300 -0.200 0.000 1.019 380 I CB 2.290 40.219 38.000 -0.119 0.000 1.282 380 I HN -0.106 nan 8.210 nan 0.000 0.432 381 E N 3.042 123.204 120.200 -0.065 0.000 2.568 381 E HA 0.118 4.465 4.350 -0.005 0.000 0.262 381 E C 1.159 177.738 176.600 -0.035 0.000 0.961 381 E CA 1.568 57.932 56.400 -0.059 0.000 0.945 381 E CB 0.351 30.036 29.700 -0.026 0.000 0.924 381 E HN 0.865 nan 8.360 nan 0.000 0.467 382 G N 3.069 111.774 108.800 -0.158 0.000 2.267 382 G HA2 -0.303 3.655 3.960 -0.005 0.000 0.257 382 G HA3 -0.303 3.655 3.960 -0.005 0.000 0.257 382 G C -0.524 174.022 174.900 -0.590 0.000 0.998 382 G CA 0.568 45.471 45.100 -0.329 0.000 0.620 382 G HN 0.518 nan 8.290 nan 0.000 0.529 383 Y N -0.265 119.753 120.300 -0.470 0.000 2.409 383 Y HA 0.825 5.372 4.550 -0.005 0.000 0.343 383 Y C 0.431 175.782 175.900 -0.915 0.000 0.973 383 Y CA -1.057 56.655 58.100 -0.648 0.000 1.064 383 Y CB 1.901 39.938 38.460 -0.704 0.000 1.207 383 Y HN 0.332 nan 8.280 nan 0.000 0.452 384 R N 2.267 122.548 120.500 -0.365 0.000 2.604 384 R HA 0.595 4.932 4.340 -0.005 0.000 0.281 384 R C -2.257 174.114 176.300 0.118 0.000 1.020 384 R CA -0.628 55.348 56.100 -0.207 0.000 0.899 384 R CB 1.426 31.595 30.300 -0.219 0.000 1.205 384 R HN 0.597 nan 8.270 nan 0.000 0.450 385 F N 5.239 125.192 119.950 0.005 0.000 2.458 385 F HA 0.679 5.204 4.527 -0.004 0.000 0.330 385 F C -1.084 174.615 175.800 -0.168 0.000 1.082 385 F CA -0.944 56.894 58.000 -0.271 0.000 0.995 385 F CB 1.125 39.939 39.000 -0.309 0.000 1.170 385 F HN 0.344 nan 8.300 nan 0.000 0.478 386 I N 4.514 124.336 120.570 -1.247 0.000 2.607 386 I HA 0.607 4.775 4.170 -0.005 0.000 0.290 386 I C -1.171 174.467 176.117 -0.800 0.000 1.129 386 I CA -0.988 59.866 61.300 -0.744 0.000 1.042 386 I CB 1.886 39.630 38.000 -0.427 0.000 1.242 386 I HN 0.754 nan 8.210 nan 0.000 0.421 387 A N 4.057 126.632 122.820 -0.408 0.000 2.371 387 A HA 0.894 5.212 4.320 -0.005 0.000 0.311 387 A C -0.834 176.721 177.584 -0.049 0.000 1.068 387 A CA -0.445 51.484 52.037 -0.180 0.000 0.744 387 A CB 1.802 20.792 19.000 -0.017 0.000 1.239 387 A HN 0.588 nan 8.150 nan 0.000 0.435 388 S N 0.072 115.776 115.700 0.007 0.000 2.549 388 S HA 0.750 5.218 4.470 -0.005 0.000 0.280 388 S C -1.655 172.979 174.600 0.058 0.000 1.109 388 S CA -0.357 57.848 58.200 0.008 0.000 0.905 388 S CB 1.513 64.682 63.200 -0.051 0.000 1.081 388 S HN 0.845 nan 8.310 nan 0.000 0.477 389 Y N 0.346 120.529 120.300 -0.196 0.000 2.534 389 Y HA 0.715 5.263 4.550 -0.005 0.000 0.345 389 Y C -0.386 175.205 175.900 -0.514 0.000 1.031 389 Y CA -0.231 57.633 58.100 -0.393 0.000 1.022 389 Y CB 1.689 39.866 38.460 -0.472 0.000 1.292 389 Y HN 0.868 nan 8.280 nan 0.000 0.459 390 G N 1.909 109.779 108.800 -1.550 0.000 2.673 390 G HA2 0.508 4.465 3.960 -0.005 0.000 0.292 390 G HA3 0.508 4.465 3.960 -0.005 0.000 0.292 390 G C -1.851 172.372 174.900 -1.128 0.000 1.450 390 G CA -0.804 43.648 45.100 -1.079 0.000 0.837 390 G HN 0.606 nan 8.290 nan 0.000 0.505 391 T N -0.078 114.051 114.554 -0.708 0.000 2.893 391 T HA 0.814 5.161 4.350 -0.005 0.000 0.293 391 T C -0.225 174.375 174.700 -0.167 0.000 1.027 391 T CA -0.029 61.809 62.100 -0.437 0.000 0.988 391 T CB 1.430 70.083 68.868 -0.359 0.000 1.043 391 T HN 1.427 nan 8.240 nan 0.000 0.461 392 S N 2.227 117.883 115.700 -0.073 0.000 2.656 392 S HA 0.856 5.324 4.470 -0.005 0.000 0.273 392 S C -1.698 172.958 174.600 0.094 0.000 1.168 392 S CA -1.023 57.183 58.200 0.011 0.000 0.817 392 S CB 1.572 64.702 63.200 -0.117 0.000 1.146 392 S HN 0.937 nan 8.310 nan 0.000 0.475 393 Y N -0.834 119.402 120.300 -0.107 0.000 2.571 393 Y HA 0.873 5.421 4.550 -0.005 0.000 0.341 393 Y C -1.381 174.393 175.900 -0.209 0.000 1.076 393 Y CA -1.069 56.913 58.100 -0.197 0.000 1.029 393 Y CB 1.277 39.561 38.460 -0.294 0.000 1.308 393 Y HN 0.772 nan 8.280 nan 0.000 0.461 394 K N 2.514 122.798 120.400 -0.194 0.000 2.292 394 K HA 0.827 5.144 4.320 -0.005 0.000 0.257 394 K C -1.106 175.460 176.600 -0.057 0.000 0.940 394 K CA -0.598 55.562 56.287 -0.212 0.000 0.811 394 K CB 1.660 34.074 32.500 -0.143 0.000 1.120 394 K HN 1.013 nan 8.250 nan 0.000 0.428 395 A N 5.126 127.936 122.820 -0.017 0.000 2.316 395 A HA 0.568 4.885 4.320 -0.005 0.000 0.284 395 A C -2.297 175.272 177.584 -0.026 0.000 1.115 395 A CA -1.470 50.584 52.037 0.028 0.000 0.812 395 A CB -0.205 18.953 19.000 0.263 0.000 1.064 395 A HN 0.651 nan 8.150 nan 0.000 0.489 396 P HA 0.103 nan 4.420 nan 0.000 0.266 396 P C -0.606 176.656 177.300 -0.063 0.000 1.195 396 P CA -0.009 63.035 63.100 -0.094 0.000 0.768 396 P CB 0.472 32.103 31.700 -0.114 0.000 0.838 397 N N 2.417 121.057 118.700 -0.100 0.000 2.476 397 N HA 0.142 4.879 4.740 -0.005 0.000 0.276 397 N C 1.104 176.553 175.510 -0.100 0.000 1.204 397 N CA -0.638 52.371 53.050 -0.068 0.000 0.974 397 N CB -0.015 38.439 38.487 -0.056 0.000 1.204 397 N HN 0.041 nan 8.380 nan 0.000 0.543 398 L N -0.852 120.352 121.223 -0.032 0.000 2.051 398 L HA -0.144 4.193 4.340 -0.005 0.000 0.214 398 L C 2.113 178.973 176.870 -0.016 0.000 1.076 398 L CA 2.404 57.241 54.840 -0.003 0.000 0.758 398 L CB -1.891 40.229 42.059 0.101 0.000 0.890 398 L HN 0.833 nan 8.230 nan 0.000 0.433 399 G N -0.520 108.281 108.800 0.002 0.000 2.404 399 G HA2 -0.223 3.734 3.960 -0.005 0.000 0.214 399 G HA3 -0.223 3.734 3.960 -0.005 0.000 0.214 399 G C 1.503 176.407 174.900 0.007 0.000 1.189 399 G CA 0.288 45.419 45.100 0.051 0.000 0.789 399 G HN 0.442 nan 8.290 nan 0.000 0.533 400 Q N -0.295 119.406 119.800 -0.164 0.000 2.234 400 Q HA 0.046 4.384 4.340 -0.005 0.000 0.206 400 Q C 2.469 178.374 176.000 -0.159 0.000 0.980 400 Q CA 0.726 56.331 55.803 -0.331 0.000 0.869 400 Q CB -0.145 28.280 28.738 -0.522 0.000 0.912 400 Q HN 0.430 nan 8.270 nan 0.000 0.436 401 L N -1.936 119.130 121.223 -0.261 0.000 2.221 401 L HA -0.005 4.332 4.340 -0.005 0.000 0.202 401 L C 0.664 177.183 176.870 -0.585 0.000 1.074 401 L CA 0.748 55.258 54.840 -0.551 0.000 0.795 401 L CB 0.402 41.863 42.059 -0.996 0.000 0.960 401 L HN 0.211 nan 8.230 nan 0.000 0.458 402 Y N -1.111 119.153 120.300 -0.060 0.000 2.750 402 Y HA 0.339 4.886 4.550 -0.004 0.000 0.247 402 Y C 0.737 176.666 175.900 0.048 0.000 1.098 402 Y CA -0.794 57.263 58.100 -0.072 0.000 1.120 402 Y CB 0.633 38.856 38.460 -0.396 0.000 1.210 402 Y HN -0.015 nan 8.280 nan 0.000 0.601 403 G N -0.598 108.325 108.800 0.204 0.000 2.671 403 G HA2 0.123 4.081 3.960 -0.005 0.000 0.275 403 G HA3 0.123 4.081 3.960 -0.005 0.000 0.275 403 G C 0.439 175.463 174.900 0.206 0.000 1.368 403 G CA -0.560 44.668 45.100 0.213 0.000 1.044 403 G HN 0.339 nan 8.290 nan 0.000 0.543 404 F N -0.667 119.236 119.950 -0.079 0.000 2.091 404 F HA -0.042 4.482 4.527 -0.004 0.000 0.299 404 F C 0.704 176.264 175.800 -0.400 0.000 1.103 404 F CA 0.688 58.500 58.000 -0.313 0.000 1.228 404 F CB 0.013 38.696 39.000 -0.528 0.000 0.984 404 F HN 0.303 nan 8.300 nan 0.000 0.477 405 Y N -0.240 120.276 120.300 0.360 0.000 2.480 405 Y HA 0.479 5.026 4.550 -0.004 0.000 0.323 405 Y C 1.082 177.111 175.900 0.215 0.000 1.267 405 Y CA -0.873 57.361 58.100 0.222 0.000 1.336 405 Y CB -0.385 38.122 38.460 0.078 0.000 1.361 405 Y HN -0.082 nan 8.280 nan 0.000 0.518 406 G N 0.252 109.217 108.800 0.275 0.000 2.683 406 G HA2 0.264 4.222 3.960 -0.005 0.000 0.260 406 G HA3 0.264 4.222 3.960 -0.005 0.000 0.260 406 G C -0.977 174.022 174.900 0.166 0.000 1.238 406 G CA -0.505 44.672 45.100 0.128 0.000 0.934 406 G HN 0.848 nan 8.290 nan 0.000 0.534 407 N N -0.705 117.999 118.700 0.008 0.000 2.827 407 N HA 0.162 4.899 4.740 -0.005 0.000 0.248 407 N C -2.628 172.830 175.510 -0.086 0.000 1.074 407 N CA -1.190 51.844 53.050 -0.027 0.000 1.042 407 N CB 2.554 40.977 38.487 -0.106 0.000 1.684 407 N HN 0.090 nan 8.380 nan 0.000 0.542 408 P HA 0.085 nan 4.420 nan 0.000 0.236 408 P C -0.079 177.218 177.300 -0.004 0.000 1.177 408 P CA 0.662 63.718 63.100 -0.074 0.000 0.773 408 P CB 0.089 31.912 31.700 0.205 0.000 0.878 409 N N -0.419 118.302 118.700 0.035 0.000 2.279 409 N HA 0.140 4.878 4.740 -0.005 0.000 0.226 409 N C 0.253 175.798 175.510 0.060 0.000 1.126 409 N CA -0.035 53.056 53.050 0.070 0.000 0.846 409 N CB 0.040 38.584 38.487 0.096 0.000 1.050 409 N HN 0.228 nan 8.380 nan 0.000 0.502 410 L N 0.437 121.668 121.223 0.013 0.000 2.452 410 L HA 0.155 4.492 4.340 -0.005 0.000 0.267 410 L C 0.520 177.380 176.870 -0.016 0.000 1.188 410 L CA 0.009 54.851 54.840 0.004 0.000 0.821 410 L CB 0.514 42.546 42.059 -0.044 0.000 1.102 410 L HN -0.072 nan 8.230 nan 0.000 0.470 411 D N 1.207 121.581 120.400 -0.043 0.000 2.385 411 D HA 0.405 5.043 4.640 -0.005 0.000 0.254 411 D C -2.348 173.790 176.300 -0.269 0.000 1.053 411 D CA -1.368 52.551 54.000 -0.136 0.000 0.992 411 D CB 1.037 41.804 40.800 -0.055 0.000 1.145 411 D HN 0.203 nan 8.370 nan 0.000 0.523 412 P HA 0.164 nan 4.420 nan 0.000 0.274 412 P C -0.643 176.516 177.300 -0.235 0.000 1.231 412 P CA -0.249 62.572 63.100 -0.464 0.000 0.790 412 P CB 0.624 31.856 31.700 -0.781 0.000 0.951 413 E N 1.420 121.538 120.200 -0.138 0.000 2.316 413 E HA 0.180 4.528 4.350 -0.005 0.000 0.275 413 E C -0.242 176.312 176.600 -0.077 0.000 1.029 413 E CA -0.211 56.154 56.400 -0.058 0.000 0.871 413 E CB 0.500 30.209 29.700 0.014 0.000 1.022 413 E HN 0.268 nan 8.360 nan 0.000 0.418 414 K N 1.677 122.058 120.400 -0.031 0.000 2.292 414 K HA 0.382 4.699 4.320 -0.005 0.000 0.257 414 K C -0.727 175.874 176.600 0.001 0.000 0.940 414 K CA -0.651 55.638 56.287 0.004 0.000 0.811 414 K CB 2.027 34.566 32.500 0.064 0.000 1.120 414 K HN 0.350 nan 8.250 nan 0.000 0.428 415 S N 2.777 118.457 115.700 -0.034 0.000 2.503 415 S HA 0.460 4.927 4.470 -0.005 0.000 0.301 415 S C -1.058 173.472 174.600 -0.117 0.000 1.087 415 S CA -0.880 57.289 58.200 -0.052 0.000 1.042 415 S CB 0.891 64.037 63.200 -0.089 0.000 1.043 415 S HN 0.506 nan 8.310 nan 0.000 0.489 416 K N 2.408 122.736 120.400 -0.120 0.000 2.207 416 K HA 0.500 4.818 4.320 -0.005 0.000 0.255 416 K C -0.811 175.599 176.600 -0.316 0.000 0.941 416 K CA -0.721 55.336 56.287 -0.384 0.000 0.825 416 K CB 1.809 34.063 32.500 -0.410 0.000 1.119 416 K HN 0.615 nan 8.250 nan 0.000 0.430 417 Q N 1.804 121.260 119.800 -0.574 0.000 2.323 417 Q HA 0.370 4.708 4.340 -0.005 0.000 0.271 417 Q C -1.304 174.548 176.000 -0.246 0.000 1.048 417 Q CA -0.711 54.972 55.803 -0.198 0.000 0.792 417 Q CB 2.263 30.891 28.738 -0.184 0.000 1.280 417 Q HN 0.509 nan 8.270 nan 0.000 0.441 418 W N 1.502 122.832 121.300 0.050 0.000 2.761 418 W HA 0.577 5.235 4.660 -0.004 0.000 0.340 418 W C -0.109 176.475 176.519 0.108 0.000 1.072 418 W CA -0.509 56.908 57.345 0.120 0.000 1.215 418 W CB 2.252 31.817 29.460 0.174 0.000 1.420 418 W HN 0.617 nan 8.180 nan 0.000 0.519 419 E N 0.637 121.025 120.200 0.314 0.000 2.352 419 E HA 0.530 4.877 4.350 -0.005 0.000 0.280 419 E C -1.064 175.607 176.600 0.120 0.000 0.930 419 E CA -0.470 56.056 56.400 0.209 0.000 0.765 419 E CB 2.354 32.127 29.700 0.122 0.000 1.219 419 E HN 0.572 nan 8.360 nan 0.000 0.434 420 G N 1.268 110.131 108.800 0.106 0.000 2.542 420 G HA2 0.798 4.756 3.960 -0.005 0.000 0.311 420 G HA3 0.798 4.756 3.960 -0.005 0.000 0.311 420 G C -1.420 173.462 174.900 -0.029 0.000 1.298 420 G CA -0.170 44.934 45.100 0.005 0.000 0.973 420 G HN 0.534 nan 8.290 nan 0.000 0.487 421 A N 0.971 123.608 122.820 -0.305 0.000 2.574 421 A HA 0.812 5.129 4.320 -0.005 0.000 0.297 421 A C -1.864 175.593 177.584 -0.210 0.000 1.062 421 A CA -0.664 51.309 52.037 -0.106 0.000 0.686 421 A CB 1.248 20.205 19.000 -0.072 0.000 1.285 421 A HN 0.607 nan 8.150 nan 0.000 0.403 422 F N 0.723 120.815 119.950 0.236 0.000 2.482 422 F HA 0.640 5.164 4.527 -0.004 0.000 0.331 422 F C 0.410 176.232 175.800 0.037 0.000 1.115 422 F CA -0.055 58.120 58.000 0.291 0.000 0.955 422 F CB 2.201 41.505 39.000 0.506 0.000 1.136 422 F HN 0.728 nan 8.300 nan 0.000 0.452 423 E N 1.714 121.862 120.200 -0.088 0.000 2.288 423 E HA 0.797 5.145 4.350 -0.005 0.000 0.268 423 E C -1.037 174.980 176.600 -0.973 0.000 0.885 423 E CA -0.871 55.206 56.400 -0.538 0.000 0.767 423 E CB 2.382 31.892 29.700 -0.317 0.000 1.220 423 E HN 0.821 nan 8.360 nan 0.000 0.427 424 G N 2.218 110.031 108.800 -1.645 0.000 2.646 424 G HA2 0.385 4.342 3.960 -0.005 0.000 0.291 424 G HA3 0.385 4.342 3.960 -0.005 0.000 0.291 424 G C -1.858 172.371 174.900 -1.117 0.000 1.445 424 G CA -0.722 43.476 45.100 -1.503 0.000 0.814 424 G HN 0.471 nan 8.290 nan 0.000 0.495 425 L N 1.896 122.645 121.223 -0.790 0.000 2.294 425 L HA 0.711 5.049 4.340 -0.005 0.000 0.283 425 L C -0.223 176.534 176.870 -0.188 0.000 1.015 425 L CA -0.478 54.147 54.840 -0.358 0.000 0.831 425 L CB 1.501 43.387 42.059 -0.288 0.000 1.217 425 L HN 0.683 nan 8.230 nan 0.000 0.420 426 T N 2.297 116.924 114.554 0.122 0.000 2.881 426 T HA 0.519 4.866 4.350 -0.005 0.000 0.290 426 T C 0.498 175.267 174.700 0.116 0.000 1.000 426 T CA 0.262 62.475 62.100 0.189 0.000 0.978 426 T CB 1.544 70.643 68.868 0.384 0.000 0.997 426 T HN 0.880 nan 8.240 nan 0.000 0.443 427 A N 2.472 125.341 122.820 0.081 0.000 2.624 427 A HA 0.113 4.430 4.320 -0.005 0.000 0.302 427 A C 1.733 179.339 177.584 0.037 0.000 1.504 427 A CA 1.591 53.654 52.037 0.042 0.000 0.804 427 A CB -2.076 16.934 19.000 0.018 0.000 1.020 427 A HN 2.777 nan 8.150 nan 0.000 0.444 428 G N -4.047 104.785 108.800 0.053 0.000 2.176 428 G HA2 0.063 4.021 3.960 -0.005 0.000 0.232 428 G HA3 0.063 4.021 3.960 -0.005 0.000 0.232 428 G C 0.121 175.093 174.900 0.120 0.000 0.986 428 G CA 0.205 45.347 45.100 0.070 0.000 0.643 428 G HN 1.738 nan 8.290 nan 0.000 0.522 429 V N 1.626 121.619 119.914 0.131 0.000 2.384 429 V HA 0.497 4.615 4.120 -0.005 0.000 0.287 429 V C -0.277 175.969 176.094 0.253 0.000 1.020 429 V CA -1.204 61.227 62.300 0.217 0.000 0.850 429 V CB 1.684 33.598 31.823 0.151 0.000 0.987 429 V HN 0.281 nan 8.190 nan 0.000 0.436 430 N N 6.339 125.163 118.700 0.206 0.000 2.437 430 N HA 0.414 5.151 4.740 -0.005 0.000 0.259 430 N C -0.851 174.763 175.510 0.173 0.000 0.983 430 N CA -0.308 52.788 53.050 0.077 0.000 0.937 430 N CB 1.539 40.032 38.487 0.010 0.000 1.122 430 N HN 0.826 nan 8.380 nan 0.000 0.499 431 W N 1.898 123.201 121.300 0.004 0.000 3.017 431 W HA 0.676 5.333 4.660 -0.004 0.000 0.341 431 W C -0.836 175.705 176.519 0.037 0.000 1.180 431 W CA -0.858 56.508 57.345 0.035 0.000 1.097 431 W CB 1.507 30.995 29.460 0.047 0.000 1.468 431 W HN 0.234 nan 8.180 nan 0.000 0.584 432 R N 1.451 122.186 120.500 0.392 0.000 2.604 432 R HA 0.577 4.914 4.340 -0.005 0.000 0.261 432 R C -2.291 174.241 176.300 0.388 0.000 1.080 432 R CA -0.675 55.575 56.100 0.251 0.000 0.917 432 R CB 2.637 32.968 30.300 0.051 0.000 1.252 432 R HN 0.712 nan 8.270 nan 0.000 0.456 433 I N 2.458 123.273 120.570 0.408 0.000 2.571 433 I HA 0.430 4.597 4.170 -0.005 0.000 0.289 433 I C -1.429 174.866 176.117 0.297 0.000 1.115 433 I CA -0.315 61.193 61.300 0.348 0.000 1.045 433 I CB 2.325 40.546 38.000 0.369 0.000 1.238 433 I HN 0.632 nan 8.210 nan 0.000 0.424 434 S N 4.393 120.237 115.700 0.239 0.000 2.542 434 S HA 0.790 5.258 4.470 -0.005 0.000 0.293 434 S C -0.223 174.518 174.600 0.234 0.000 1.089 434 S CA -0.649 57.682 58.200 0.217 0.000 0.961 434 S CB 1.994 65.302 63.200 0.179 0.000 1.062 434 S HN 0.800 nan 8.310 nan 0.000 0.483 435 G N 1.127 110.056 108.800 0.215 0.000 2.416 435 G HA2 0.704 4.661 3.960 -0.005 0.000 0.329 435 G HA3 0.704 4.661 3.960 -0.005 0.000 0.329 435 G C -1.387 173.651 174.900 0.230 0.000 1.173 435 G CA -0.708 44.486 45.100 0.157 0.000 0.929 435 G HN 0.656 nan 8.290 nan 0.000 0.475 436 Y N -0.537 119.832 120.300 0.114 0.000 2.553 436 Y HA 0.797 5.345 4.550 -0.004 0.000 0.347 436 Y C -0.512 175.466 175.900 0.131 0.000 1.019 436 Y CA -1.714 56.459 58.100 0.121 0.000 1.032 436 Y CB 1.833 40.348 38.460 0.091 0.000 1.284 436 Y HN 0.577 nan 8.280 nan 0.000 0.466 437 R N 2.968 123.678 120.500 0.350 0.000 2.439 437 R HA 0.428 4.765 4.340 -0.005 0.000 0.310 437 R C -1.772 174.777 176.300 0.415 0.000 0.955 437 R CA -0.633 55.629 56.100 0.271 0.000 0.853 437 R CB 1.085 31.460 30.300 0.126 0.000 1.171 437 R HN 0.893 nan 8.270 nan 0.000 0.449 438 N N 3.203 122.102 118.700 0.333 0.000 2.483 438 N HA 0.186 4.923 4.740 -0.005 0.000 0.267 438 N C -1.743 173.913 175.510 0.245 0.000 0.998 438 N CA -0.544 52.682 53.050 0.294 0.000 0.918 438 N CB 1.595 40.218 38.487 0.228 0.000 1.215 438 N HN 0.485 nan 8.380 nan 0.000 0.500 439 D N 2.161 122.738 120.400 0.296 0.000 2.359 439 D HA 0.256 4.893 4.640 -0.005 0.000 0.230 439 D C -0.258 176.137 176.300 0.159 0.000 1.118 439 D CA -0.094 54.047 54.000 0.234 0.000 0.844 439 D CB 1.491 42.478 40.800 0.312 0.000 1.059 439 D HN 0.131 nan 8.370 nan 0.000 0.493 440 V N 1.958 121.951 119.914 0.132 0.000 2.547 440 V HA 0.690 4.807 4.120 -0.005 0.000 0.299 440 V C 0.368 176.524 176.094 0.104 0.000 1.040 440 V CA -0.501 61.864 62.300 0.109 0.000 0.913 440 V CB 1.639 33.548 31.823 0.144 0.000 0.992 440 V HN 0.696 nan 8.190 nan 0.000 0.449 441 S N 1.457 117.208 115.700 0.085 0.000 2.638 441 S HA 0.599 5.066 4.470 -0.005 0.000 0.274 441 S C -0.722 173.916 174.600 0.063 0.000 1.157 441 S CA -0.527 57.721 58.200 0.080 0.000 0.826 441 S CB 2.081 65.332 63.200 0.085 0.000 1.139 441 S HN 0.714 nan 8.310 nan 0.000 0.474 442 D N 0.140 120.577 120.400 0.062 0.000 2.800 442 D HA -0.112 4.525 4.640 -0.005 0.000 0.232 442 D C -0.325 176.006 176.300 0.051 0.000 1.137 442 D CA 0.790 54.820 54.000 0.050 0.000 0.718 442 D CB -1.633 39.184 40.800 0.027 0.000 1.084 442 D HN 0.632 nan 8.370 nan 0.000 0.432 443 L N 0.249 121.516 121.223 0.074 0.000 2.485 443 L HA 0.102 4.439 4.340 -0.005 0.000 0.275 443 L C 1.354 178.276 176.870 0.087 0.000 1.207 443 L CA 0.200 55.091 54.840 0.085 0.000 0.855 443 L CB 0.362 42.478 42.059 0.096 0.000 1.114 443 L HN 0.027 nan 8.230 nan 0.000 0.485 444 I N 3.439 124.050 120.570 0.069 0.000 2.322 444 I HA 0.082 4.250 4.170 -0.005 0.000 0.292 444 I C -0.371 175.849 176.117 0.173 0.000 1.060 444 I CA -0.199 61.150 61.300 0.082 0.000 1.309 444 I CB 0.424 38.401 38.000 -0.039 0.000 1.415 444 I HN 0.639 nan 8.210 nan 0.000 0.492 445 D N 5.251 125.818 120.400 0.278 0.000 2.689 445 D HA 0.275 4.913 4.640 -0.005 0.000 0.255 445 D C -1.085 175.469 176.300 0.424 0.000 1.113 445 D CA -0.562 53.646 54.000 0.346 0.000 1.115 445 D CB 0.778 41.703 40.800 0.208 0.000 1.334 445 D HN 0.342 nan 8.370 nan 0.000 0.621 446 Y N 0.380 120.714 120.300 0.057 0.000 2.388 446 Y HA 0.196 4.743 4.550 -0.005 0.000 0.328 446 Y C 0.651 176.504 175.900 -0.079 0.000 0.963 446 Y CA -0.561 57.386 58.100 -0.255 0.000 1.240 446 Y CB 1.414 39.608 38.460 -0.444 0.000 1.118 446 Y HN 0.264 nan 8.280 nan 0.000 0.484 447 D N 3.005 123.216 120.400 -0.315 0.000 2.265 447 D HA -0.187 4.451 4.640 -0.005 0.000 0.208 447 D C -0.179 176.005 176.300 -0.194 0.000 0.977 447 D CA 1.818 55.732 54.000 -0.144 0.000 0.871 447 D CB 0.020 40.827 40.800 0.011 0.000 0.925 447 D HN 0.818 nan 8.370 nan 0.000 0.485 448 D N -1.111 118.992 120.400 -0.495 0.000 3.187 448 D HA -0.220 4.417 4.640 -0.005 0.000 0.244 448 D C 0.174 176.465 176.300 -0.016 0.000 1.114 448 D CA 1.076 54.973 54.000 -0.172 0.000 0.920 448 D CB -1.165 39.657 40.800 0.037 0.000 0.970 448 D HN 0.615 nan 8.370 nan 0.000 0.418 449 H N -3.068 115.880 119.070 -0.202 0.000 1.800 449 H HA -0.125 4.428 4.556 -0.005 0.000 0.115 449 H C 1.657 176.950 175.328 -0.059 0.000 1.288 449 H CA 1.091 57.086 56.048 -0.088 0.000 0.430 449 H CB -0.574 29.148 29.762 -0.068 0.000 0.317 449 H HN 0.210 nan 8.280 nan 0.000 0.206 450 T N 0.321 114.955 114.554 0.133 0.000 2.645 450 T HA 0.053 4.401 4.350 -0.005 0.000 0.233 450 T C 0.901 175.643 174.700 0.070 0.000 1.158 450 T CA 1.237 63.411 62.100 0.125 0.000 1.610 450 T CB 0.014 68.995 68.868 0.188 0.000 1.059 450 T HN 0.182 nan 8.240 nan 0.000 0.395 451 L N 0.866 122.120 121.223 0.051 0.000 3.153 451 L HA 0.402 4.740 4.340 -0.005 0.000 0.354 451 L C -1.198 175.730 176.870 0.097 0.000 1.300 451 L CA 0.020 54.909 54.840 0.081 0.000 0.831 451 L CB -0.214 41.981 42.059 0.226 0.000 1.209 451 L HN 0.555 nan 8.230 nan 0.000 0.574 452 K N -0.691 119.601 120.400 -0.181 0.000 2.555 452 K HA 0.469 4.786 4.320 -0.005 0.000 0.279 452 K C -1.511 174.770 176.600 -0.532 0.000 0.986 452 K CA -0.807 55.327 56.287 -0.255 0.000 0.880 452 K CB 2.291 34.608 32.500 -0.305 0.000 1.474 452 K HN -0.251 nan 8.250 nan 0.000 0.433 453 Y N 0.558 120.658 120.300 -0.333 0.000 2.309 453 Y HA 0.291 4.838 4.550 -0.005 0.000 0.327 453 Y C -0.202 175.370 175.900 -0.546 0.000 1.172 453 Y CA 0.620 58.570 58.100 -0.251 0.000 1.280 453 Y CB 0.585 39.004 38.460 -0.068 0.000 1.234 453 Y HN 0.389 nan 8.280 nan 0.000 0.512 454 Y N -0.312 120.112 120.300 0.206 0.000 2.677 454 Y HA 0.346 4.893 4.550 -0.004 0.000 0.334 454 Y C -0.557 175.403 175.900 0.100 0.000 1.154 454 Y CA -1.616 56.551 58.100 0.112 0.000 1.070 454 Y CB 1.305 39.797 38.460 0.053 0.000 1.294 454 Y HN 0.402 nan 8.280 nan 0.000 0.475 455 N N 1.774 120.629 118.700 0.257 0.000 2.422 455 N HA 0.197 4.934 4.740 -0.005 0.000 0.266 455 N C 0.048 175.632 175.510 0.123 0.000 1.007 455 N CA -0.075 53.063 53.050 0.146 0.000 0.941 455 N CB 1.812 40.360 38.487 0.102 0.000 1.115 455 N HN 0.943 nan 8.380 nan 0.000 0.492 456 E N 1.151 121.414 120.200 0.104 0.000 2.895 456 E HA 0.087 4.435 4.350 -0.005 0.000 0.254 456 E C 0.484 177.124 176.600 0.067 0.000 1.139 456 E CA -0.204 56.241 56.400 0.075 0.000 1.832 456 E CB -0.209 29.533 29.700 0.070 0.000 2.683 456 E HN 0.488 nan 8.360 nan 0.000 1.040 457 G N 1.679 110.526 108.800 0.078 0.000 2.527 457 G HA2 0.415 4.373 3.960 -0.005 0.000 0.248 457 G HA3 0.415 4.373 3.960 -0.005 0.000 0.248 457 G C -0.648 174.295 174.900 0.072 0.000 1.231 457 G CA -0.177 44.966 45.100 0.071 0.000 0.838 457 G HN 0.078 nan 8.290 nan 0.000 0.570 458 K N -0.398 120.042 120.400 0.067 0.000 2.350 458 K HA 0.757 5.074 4.320 -0.005 0.000 0.241 458 K C -0.787 175.857 176.600 0.073 0.000 0.994 458 K CA -0.795 55.536 56.287 0.074 0.000 0.839 458 K CB 2.659 35.202 32.500 0.071 0.000 1.244 458 K HN 0.634 nan 8.250 nan 0.000 0.443 459 A N 1.562 124.433 122.820 0.084 0.000 2.437 459 A HA 0.461 4.778 4.320 -0.005 0.000 0.293 459 A C -1.305 176.333 177.584 0.089 0.000 1.038 459 A CA -0.673 51.411 52.037 0.078 0.000 0.708 459 A CB 1.306 20.356 19.000 0.083 0.000 1.251 459 A HN 0.700 nan 8.150 nan 0.000 0.409 460 R N 2.014 122.556 120.500 0.071 0.000 2.474 460 R HA 0.793 5.131 4.340 -0.005 0.000 0.295 460 R C -1.222 175.119 176.300 0.068 0.000 0.980 460 R CA -0.470 55.675 56.100 0.076 0.000 0.934 460 R CB 0.787 31.118 30.300 0.052 0.000 1.101 460 R HN 0.697 nan 8.270 nan 0.000 0.469 461 I N 3.281 123.906 120.570 0.092 0.000 2.569 461 I HA 0.345 4.512 4.170 -0.005 0.000 0.290 461 I C -0.934 175.217 176.117 0.056 0.000 1.088 461 I CA -0.933 60.414 61.300 0.078 0.000 1.047 461 I CB 2.353 40.439 38.000 0.144 0.000 1.237 461 I HN 0.448 nan 8.210 nan 0.000 0.421 462 K N 3.997 124.382 120.400 -0.026 0.000 2.426 462 K HA 0.751 5.069 4.320 -0.005 0.000 0.254 462 K C -0.320 176.140 176.600 -0.234 0.000 0.936 462 K CA -0.482 55.747 56.287 -0.096 0.000 0.801 462 K CB 2.764 35.258 32.500 -0.010 0.000 1.139 462 K HN 0.822 nan 8.250 nan 0.000 0.424 463 G N 0.707 109.075 108.800 -0.719 0.000 3.015 463 G HA2 0.747 4.704 3.960 -0.005 0.000 0.281 463 G HA3 0.747 4.704 3.960 -0.005 0.000 0.281 463 G C -1.429 173.173 174.900 -0.496 0.000 1.386 463 G CA -0.640 44.012 45.100 -0.747 0.000 0.959 463 G HN 0.311 nan 8.290 nan 0.000 0.522 464 V N -0.110 119.751 119.914 -0.088 0.000 2.891 464 V HA 0.575 4.692 4.120 -0.005 0.000 0.304 464 V C -0.973 175.230 176.094 0.181 0.000 1.171 464 V CA -0.745 61.613 62.300 0.096 0.000 0.943 464 V CB 1.950 33.851 31.823 0.129 0.000 1.037 464 V HN 0.904 nan 8.190 nan 0.000 0.427 465 E N 2.881 123.222 120.200 0.234 0.000 2.256 465 E HA 0.822 5.170 4.350 -0.005 0.000 0.268 465 E C -1.154 175.582 176.600 0.226 0.000 0.877 465 E CA -0.592 55.929 56.400 0.202 0.000 0.757 465 E CB 2.248 32.065 29.700 0.195 0.000 1.183 465 E HN 0.951 nan 8.360 nan 0.000 0.418 466 A N 2.645 125.614 122.820 0.248 0.000 2.414 466 A HA 0.796 5.113 4.320 -0.005 0.000 0.306 466 A C -0.810 176.900 177.584 0.211 0.000 1.054 466 A CA -0.513 51.676 52.037 0.252 0.000 0.724 466 A CB 1.873 21.037 19.000 0.273 0.000 1.267 466 A HN 0.632 nan 8.150 nan 0.000 0.418 467 T N -1.524 113.153 114.554 0.204 0.000 2.894 467 T HA 0.895 5.242 4.350 -0.005 0.000 0.309 467 T C -0.614 174.206 174.700 0.200 0.000 1.208 467 T CA -0.123 62.072 62.100 0.158 0.000 1.016 467 T CB 1.613 70.548 68.868 0.112 0.000 1.192 467 T HN 2.299 nan 8.240 nan 0.000 0.491 468 A N 2.060 124.977 122.820 0.162 0.000 2.589 468 A HA 0.866 5.184 4.320 -0.005 0.000 0.296 468 A C -1.293 176.379 177.584 0.146 0.000 1.062 468 A CA -1.164 51.013 52.037 0.234 0.000 0.686 468 A CB 1.348 20.536 19.000 0.314 0.000 1.282 468 A HN 1.313 nan 8.150 nan 0.000 0.404 469 N N -0.452 118.351 118.700 0.173 0.000 2.235 469 N HA 0.876 5.613 4.740 -0.005 0.000 0.293 469 N C -0.842 174.763 175.510 0.158 0.000 1.083 469 N CA -0.722 52.332 53.050 0.007 0.000 0.801 469 N CB 1.943 40.417 38.487 -0.021 0.000 1.559 469 N HN 1.074 nan 8.380 nan 0.000 0.472 470 F N -2.360 117.639 119.950 0.082 0.000 2.770 470 F HA 0.585 5.109 4.527 -0.004 0.000 0.313 470 F C -1.977 173.915 175.800 0.154 0.000 1.154 470 F CA -1.082 56.967 58.000 0.081 0.000 0.923 470 F CB 1.092 40.113 39.000 0.034 0.000 1.301 470 F HN 0.224 nan 8.300 nan 0.000 0.449 471 D N 0.492 121.111 120.400 0.366 0.000 2.252 471 D HA 0.600 5.237 4.640 -0.005 0.000 0.245 471 D C 0.249 176.780 176.300 0.385 0.000 1.009 471 D CA -0.023 54.163 54.000 0.310 0.000 0.870 471 D CB 2.437 43.343 40.800 0.176 0.000 1.251 471 D HN 0.825 nan 8.370 nan 0.000 0.460 472 T N -1.635 113.142 114.554 0.373 0.000 3.479 472 T HA 0.354 4.701 4.350 -0.005 0.000 0.197 472 T C 1.281 176.082 174.700 0.168 0.000 0.912 472 T CA 0.322 62.581 62.100 0.265 0.000 1.281 472 T CB -0.643 68.408 68.868 0.305 0.000 1.588 472 T HN 0.293 nan 8.240 nan 0.000 0.389 473 G N 2.306 111.195 108.800 0.149 0.000 3.224 473 G HA2 0.369 4.327 3.960 -0.005 0.000 0.161 473 G HA3 0.369 4.327 3.960 -0.005 0.000 0.161 473 G C -1.233 173.719 174.900 0.087 0.000 1.872 473 G CA 0.144 45.296 45.100 0.087 0.000 1.012 473 G HN 0.595 nan 8.290 nan 0.000 0.504 474 P HA 0.255 nan 4.420 nan 0.000 0.256 474 P C -0.348 177.027 177.300 0.126 0.000 1.384 474 P CA 0.121 63.276 63.100 0.092 0.000 0.879 474 P CB -0.076 31.675 31.700 0.086 0.000 1.403 475 L N -0.247 121.033 121.223 0.095 0.000 2.295 475 L HA 0.463 4.800 4.340 -0.005 0.000 0.285 475 L C 0.199 177.085 176.870 0.027 0.000 1.035 475 L CA -0.353 54.511 54.840 0.039 0.000 0.806 475 L CB 1.583 43.589 42.059 -0.089 0.000 1.214 475 L HN -0.254 nan 8.230 nan 0.000 0.426 476 T N 1.336 115.867 114.554 -0.038 0.000 2.797 476 T HA 0.461 4.808 4.350 -0.005 0.000 0.279 476 T C -0.533 174.017 174.700 -0.250 0.000 0.991 476 T CA -0.525 61.541 62.100 -0.056 0.000 0.979 476 T CB 0.882 69.756 68.868 0.009 0.000 0.943 476 T HN 0.411 nan 8.240 nan 0.000 0.444 477 H N 1.356 120.218 119.070 -0.346 0.000 2.524 477 H HA 0.550 5.103 4.556 -0.005 0.000 0.353 477 H C -0.611 174.343 175.328 -0.623 0.000 1.136 477 H CA -0.755 54.967 56.048 -0.543 0.000 1.193 477 H CB 1.985 31.090 29.762 -1.095 0.000 1.558 477 H HN 0.496 nan 8.280 nan 0.000 0.515 478 T N 2.329 116.638 114.554 -0.409 0.000 3.187 478 T HA 0.188 4.535 4.350 -0.005 0.000 0.328 478 T C -0.658 173.815 174.700 -0.377 0.000 0.951 478 T CA -0.480 61.442 62.100 -0.297 0.000 1.049 478 T CB 1.034 69.828 68.868 -0.124 0.000 1.015 478 T HN 0.308 nan 8.240 nan 0.000 0.461 479 V N 3.219 122.921 119.914 -0.354 0.000 2.715 479 V HA 0.961 5.078 4.120 -0.005 0.000 0.310 479 V C -0.774 175.279 176.094 -0.069 0.000 1.054 479 V CA -0.349 61.760 62.300 -0.319 0.000 0.928 479 V CB 2.029 33.644 31.823 -0.347 0.000 1.007 479 V HN 1.039 nan 8.190 nan 0.000 0.437 480 S N 5.082 120.781 115.700 -0.002 0.000 2.556 480 S HA 0.697 5.165 4.470 -0.005 0.000 0.271 480 S C -1.436 173.267 174.600 0.171 0.000 1.135 480 S CA -0.648 57.603 58.200 0.086 0.000 0.858 480 S CB 1.733 64.967 63.200 0.057 0.000 1.114 480 S HN 1.186 nan 8.310 nan 0.000 0.468 481 Y N 0.915 121.255 120.300 0.067 0.000 2.425 481 Y HA 0.664 5.211 4.550 -0.004 0.000 0.344 481 Y C -1.662 174.302 175.900 0.106 0.000 0.969 481 Y CA -0.720 57.430 58.100 0.083 0.000 1.052 481 Y CB 1.830 40.340 38.460 0.084 0.000 1.215 481 Y HN 0.810 nan 8.280 nan 0.000 0.451 482 D N 4.401 124.363 120.400 -0.731 0.000 2.619 482 D HA 0.171 4.808 4.640 -0.005 0.000 0.241 482 D C -1.934 173.878 176.300 -0.815 0.000 1.087 482 D CA -0.304 53.322 54.000 -0.624 0.000 0.851 482 D CB 2.475 43.139 40.800 -0.225 0.000 1.474 482 D HN 0.642 nan 8.370 nan 0.000 0.478 483 Y N 1.530 121.502 120.300 -0.547 0.000 2.338 483 Y HA 0.400 4.947 4.550 -0.005 0.000 0.328 483 Y C -1.509 174.298 175.900 -0.155 0.000 0.965 483 Y CA -0.555 57.385 58.100 -0.267 0.000 1.208 483 Y CB 1.019 39.441 38.460 -0.063 0.000 1.132 483 Y HN 0.064 nan 8.280 nan 0.000 0.469 484 V N 5.741 125.336 119.914 -0.532 0.000 2.350 484 V HA 0.213 4.330 4.120 -0.005 0.000 0.285 484 V C -0.767 174.972 176.094 -0.593 0.000 1.014 484 V CA -0.743 61.314 62.300 -0.406 0.000 0.831 484 V CB 1.401 33.113 31.823 -0.185 0.000 1.000 484 V HN 0.740 nan 8.190 nan 0.000 0.433 485 D N 4.601 124.697 120.400 -0.507 0.000 2.518 485 D HA 0.478 5.115 4.640 -0.005 0.000 0.230 485 D C 0.190 176.390 176.300 -0.166 0.000 1.138 485 D CA -0.132 53.660 54.000 -0.346 0.000 0.964 485 D CB 0.933 41.645 40.800 -0.146 0.000 1.011 485 D HN 0.691 nan 8.370 nan 0.000 0.517 486 A N 4.253 126.973 122.820 -0.167 0.000 2.260 486 A HA 0.650 4.967 4.320 -0.005 0.000 0.312 486 A C 0.260 177.795 177.584 -0.081 0.000 1.321 486 A CA -0.601 51.380 52.037 -0.093 0.000 0.928 486 A CB 0.469 19.415 19.000 -0.091 0.000 1.158 486 A HN 0.496 nan 8.150 nan 0.000 0.542 487 R N 1.382 121.861 120.500 -0.036 0.000 2.960 487 R HA 0.410 4.747 4.340 -0.005 0.000 0.249 487 R C -0.597 175.707 176.300 0.007 0.000 1.192 487 R CA -1.147 54.941 56.100 -0.021 0.000 1.035 487 R CB 0.877 31.170 30.300 -0.011 0.000 1.234 487 R HN 0.708 nan 8.270 nan 0.000 0.493 488 N N 0.580 119.289 118.700 0.014 0.000 2.422 488 N HA 0.097 4.834 4.740 -0.005 0.000 0.264 488 N C 0.104 175.632 175.510 0.030 0.000 1.063 488 N CA 0.032 53.099 53.050 0.028 0.000 0.959 488 N CB 1.767 40.272 38.487 0.030 0.000 1.087 488 N HN 0.691 nan 8.380 nan 0.000 0.483 489 A N 4.675 127.519 122.820 0.039 0.000 2.119 489 A HA -0.027 4.290 4.320 -0.005 0.000 0.217 489 A C 1.780 179.385 177.584 0.034 0.000 1.153 489 A CA 0.708 52.768 52.037 0.038 0.000 0.692 489 A CB -0.204 18.827 19.000 0.050 0.000 0.799 489 A HN 0.710 nan 8.150 nan 0.000 0.458 490 I N -1.650 118.940 120.570 0.034 0.000 2.731 490 I HA -0.033 4.134 4.170 -0.005 0.000 0.260 490 I C 2.375 178.506 176.117 0.024 0.000 1.138 490 I CA 1.852 63.169 61.300 0.029 0.000 1.461 490 I CB -1.115 36.904 38.000 0.031 0.000 1.128 490 I HN 0.341 nan 8.210 nan 0.000 0.438 491 T N -1.060 113.508 114.554 0.024 0.000 3.037 491 T HA -0.028 4.319 4.350 -0.005 0.000 0.252 491 T C 0.683 175.396 174.700 0.021 0.000 1.073 491 T CA 0.726 62.839 62.100 0.021 0.000 1.091 491 T CB -0.045 68.836 68.868 0.022 0.000 0.935 491 T HN 0.274 nan 8.240 nan 0.000 0.488 492 D N 1.302 121.716 120.400 0.022 0.000 2.947 492 D HA -0.124 4.513 4.640 -0.005 0.000 0.224 492 D C -0.136 176.179 176.300 0.025 0.000 1.132 492 D CA 1.198 55.211 54.000 0.021 0.000 0.801 492 D CB -1.526 39.285 40.800 0.018 0.000 1.097 492 D HN 0.642 nan 8.370 nan 0.000 0.431 493 T N -2.645 111.927 114.554 0.029 0.000 2.895 493 T HA 0.749 5.096 4.350 -0.005 0.000 0.283 493 T C -2.634 172.089 174.700 0.038 0.000 1.014 493 T CA -1.864 60.265 62.100 0.047 0.000 1.037 493 T CB 2.262 71.161 68.868 0.053 0.000 1.006 493 T HN -0.176 nan 8.240 nan 0.000 0.468 494 P HA 0.094 nan 4.420 nan 0.000 0.265 494 P C 1.046 178.340 177.300 -0.011 0.000 1.187 494 P CA -0.314 62.762 63.100 -0.041 0.000 0.766 494 P CB 0.473 32.064 31.700 -0.181 0.000 0.820 495 L N 2.110 123.291 121.223 -0.069 0.000 1.899 495 L HA -0.003 4.334 4.340 -0.005 0.000 0.220 495 L C 0.526 177.366 176.870 -0.050 0.000 1.091 495 L CA 1.550 56.356 54.840 -0.057 0.000 0.781 495 L CB -0.417 41.589 42.059 -0.089 0.000 0.886 495 L HN 0.297 nan 8.230 nan 0.000 0.430 496 L N -1.816 119.333 121.223 -0.123 0.000 5.509 496 L HA 0.050 4.387 4.340 -0.005 0.000 0.238 496 L C -0.147 176.586 176.870 -0.228 0.000 1.157 496 L CA 0.018 54.798 54.840 -0.100 0.000 0.823 496 L CB 0.325 42.361 42.059 -0.037 0.000 1.529 496 L HN 0.302 nan 8.230 nan 0.000 0.295 497 R N 0.627 120.993 120.500 -0.223 0.000 3.535 497 R HA -0.129 4.208 4.340 -0.005 0.000 0.487 497 R C -0.294 175.677 176.300 -0.548 0.000 0.901 497 R CA 0.748 56.655 56.100 -0.322 0.000 1.245 497 R CB -0.594 29.500 30.300 -0.344 0.000 1.949 497 R HN 0.526 nan 8.270 nan 0.000 0.493 498 R N 0.476 120.697 120.500 -0.464 0.000 2.360 498 R HA 0.526 4.863 4.340 -0.005 0.000 0.318 498 R C -0.326 175.797 176.300 -0.294 0.000 0.950 498 R CA 0.215 56.054 56.100 -0.435 0.000 0.837 498 R CB 1.718 31.765 30.300 -0.422 0.000 1.165 498 R HN 0.266 nan 8.270 nan 0.000 0.458 499 A N 2.740 125.420 122.820 -0.233 0.000 2.524 499 A HA 0.016 4.334 4.320 -0.005 0.000 0.250 499 A C 0.982 178.429 177.584 -0.228 0.000 1.078 499 A CA 0.105 52.017 52.037 -0.208 0.000 0.761 499 A CB 0.234 19.124 19.000 -0.182 0.000 1.012 499 A HN 0.890 nan 8.150 nan 0.000 0.500 500 K N 0.792 121.049 120.400 -0.238 0.000 2.211 500 K HA -0.071 4.246 4.320 -0.005 0.000 0.203 500 K C 0.189 176.643 176.600 -0.244 0.000 1.050 500 K CA 1.250 57.363 56.287 -0.291 0.000 0.945 500 K CB -0.012 32.332 32.500 -0.261 0.000 0.732 500 K HN 0.860 nan 8.250 nan 0.000 0.451 501 Q N -0.136 119.594 119.800 -0.118 0.000 2.309 501 Q HA 0.272 4.609 4.340 -0.005 0.000 0.273 501 Q C -1.533 174.442 176.000 -0.041 0.000 1.040 501 Q CA -0.586 55.198 55.803 -0.032 0.000 0.834 501 Q CB 2.585 31.450 28.738 0.212 0.000 1.345 501 Q HN 0.034 nan 8.270 nan 0.000 0.414 502 Q N 0.893 120.646 119.800 -0.078 0.000 2.397 502 Q HA 0.721 5.058 4.340 -0.005 0.000 0.275 502 Q C -1.292 174.754 176.000 0.076 0.000 1.090 502 Q CA -0.855 54.933 55.803 -0.026 0.000 0.809 502 Q CB 3.147 31.834 28.738 -0.086 0.000 1.362 502 Q HN 0.337 nan 8.270 nan 0.000 0.431 503 V N 1.844 121.851 119.914 0.154 0.000 2.577 503 V HA 0.475 4.592 4.120 -0.005 0.000 0.303 503 V C -0.865 175.280 176.094 0.085 0.000 1.042 503 V CA -0.861 61.556 62.300 0.196 0.000 0.872 503 V CB 1.723 33.698 31.823 0.253 0.000 0.998 503 V HN 0.634 nan 8.190 nan 0.000 0.423 504 K N 4.086 124.521 120.400 0.058 0.000 2.378 504 K HA 0.700 5.018 4.320 -0.005 0.000 0.252 504 K C -1.839 174.767 176.600 0.009 0.000 0.931 504 K CA -0.927 55.355 56.287 -0.010 0.000 0.794 504 K CB 2.908 35.374 32.500 -0.055 0.000 1.181 504 K HN 0.602 nan 8.250 nan 0.000 0.425 505 Y N 1.541 121.766 120.300 -0.126 0.000 2.396 505 Y HA 0.209 4.756 4.550 -0.005 0.000 0.332 505 Y C -1.126 174.697 175.900 -0.128 0.000 1.034 505 Y CA -0.644 57.395 58.100 -0.102 0.000 1.057 505 Y CB 2.369 40.757 38.460 -0.120 0.000 1.220 505 Y HN 0.624 nan 8.280 nan 0.000 0.440 506 Q N 4.146 123.972 119.800 0.044 0.000 2.394 506 Q HA 0.762 5.100 4.340 -0.005 0.000 0.273 506 Q C -2.425 173.671 176.000 0.160 0.000 1.089 506 Q CA -0.787 55.060 55.803 0.074 0.000 0.812 506 Q CB 2.234 30.955 28.738 -0.029 0.000 1.353 506 Q HN 0.751 nan 8.270 nan 0.000 0.438 507 L N 3.008 124.348 121.223 0.196 0.000 2.528 507 L HA 0.558 4.896 4.340 -0.005 0.000 0.267 507 L C -1.929 175.136 176.870 0.324 0.000 0.961 507 L CA -0.124 54.822 54.840 0.177 0.000 0.866 507 L CB 1.906 44.080 42.059 0.193 0.000 1.248 507 L HN 0.722 nan 8.230 nan 0.000 0.404 508 D N 4.349 124.902 120.400 0.255 0.000 2.350 508 D HA 0.671 5.308 4.640 -0.005 0.000 0.245 508 D C -1.454 175.111 176.300 0.442 0.000 1.036 508 D CA 0.163 54.343 54.000 0.301 0.000 0.848 508 D CB 2.112 43.003 40.800 0.153 0.000 1.307 508 D HN 0.517 nan 8.370 nan 0.000 0.469 509 W N 0.198 121.508 121.300 0.016 0.000 3.464 509 W HA 0.388 5.045 4.660 -0.004 0.000 0.292 509 W C -1.845 174.694 176.519 0.033 0.000 1.262 509 W CA -0.908 56.444 57.345 0.011 0.000 1.202 509 W CB 0.676 30.137 29.460 0.001 0.000 1.334 509 W HN 0.048 nan 8.180 nan 0.000 0.561 510 Q N 2.136 122.004 119.800 0.115 0.000 2.271 510 Q HA 0.401 4.738 4.340 -0.005 0.000 0.258 510 Q C 0.139 176.178 176.000 0.066 0.000 0.936 510 Q CA -0.572 55.237 55.803 0.010 0.000 0.909 510 Q CB 1.843 30.589 28.738 0.014 0.000 1.253 510 Q HN 0.570 nan 8.270 nan 0.000 0.440 511 L N 1.899 123.145 121.223 0.039 0.000 2.129 511 L HA 0.164 4.501 4.340 -0.005 0.000 0.200 511 L C -0.164 176.550 176.870 -0.259 0.000 1.159 511 L CA 0.940 55.741 54.840 -0.065 0.000 0.795 511 L CB -0.304 41.863 42.059 0.180 0.000 0.951 511 L HN 0.631 nan 8.230 nan 0.000 0.463 512 Y N -0.499 119.937 120.300 0.226 0.000 2.535 512 Y HA 0.310 4.857 4.550 -0.005 0.000 0.341 512 Y C -0.153 175.910 175.900 0.272 0.000 1.041 512 Y CA -1.182 57.049 58.100 0.218 0.000 1.307 512 Y CB 0.683 39.273 38.460 0.218 0.000 1.095 512 Y HN 0.227 nan 8.280 nan 0.000 0.534 513 D N 0.447 120.979 120.400 0.219 0.000 3.059 513 D HA -0.262 4.375 4.640 -0.005 0.000 0.222 513 D C -0.714 175.544 176.300 -0.070 0.000 1.185 513 D CA 1.381 55.374 54.000 -0.011 0.000 0.904 513 D CB -0.968 39.768 40.800 -0.107 0.000 1.122 513 D HN 0.394 nan 8.370 nan 0.000 0.410 514 F N 0.797 120.841 119.950 0.157 0.000 2.411 514 F HA 0.297 4.821 4.527 -0.004 0.000 0.352 514 F C 0.965 176.750 175.800 -0.026 0.000 1.123 514 F CA -0.854 57.235 58.000 0.150 0.000 1.044 514 F CB 1.434 40.546 39.000 0.188 0.000 1.135 514 F HN -0.314 nan 8.300 nan 0.000 0.461 522 Y N 4.606 124.805 120.300 -0.168 0.000 2.331 522 Y HA 0.527 5.075 4.550 -0.005 0.000 0.338 522 Y C -1.626 174.214 175.900 -0.102 0.000 0.976 522 Y CA -0.847 57.180 58.100 -0.121 0.000 1.137 522 Y CB 0.940 39.364 38.460 -0.060 0.000 1.172 522 Y HN 0.574 nan 8.280 nan 0.000 0.478 523 L N 7.199 127.998 121.223 -0.708 0.000 2.265 523 L HA 0.501 4.839 4.340 -0.005 0.000 0.289 523 L C 0.659 176.986 176.870 -0.905 0.000 1.033 523 L CA 0.049 54.527 54.840 -0.604 0.000 0.814 523 L CB 0.555 42.365 42.059 -0.414 0.000 1.203 523 L HN 0.945 nan 8.230 nan 0.000 0.423 524 G N 2.858 111.287 108.800 -0.619 0.000 2.525 524 G HA2 0.217 4.174 3.960 -0.005 0.000 0.276 524 G HA3 0.217 4.174 3.960 -0.005 0.000 0.276 524 G C -0.021 174.749 174.900 -0.217 0.000 1.388 524 G CA -0.153 44.714 45.100 -0.388 0.000 1.050 524 G HN 0.652 nan 8.290 nan 0.000 0.520 525 T N -1.692 112.811 114.554 -0.084 0.000 2.851 525 T HA 0.523 4.870 4.350 -0.005 0.000 0.298 525 T C 0.164 174.800 174.700 -0.108 0.000 0.977 525 T CA -0.439 61.630 62.100 -0.050 0.000 1.126 525 T CB 0.586 69.463 68.868 0.014 0.000 0.916 525 T HN 0.733 nan 8.240 nan 0.000 0.529 526 R N 1.860 122.322 120.500 -0.064 0.000 2.803 526 R HA 0.605 4.942 4.340 -0.005 0.000 0.276 526 R C -1.320 175.037 176.300 0.094 0.000 0.978 526 R CA -1.165 54.880 56.100 -0.093 0.000 0.939 526 R CB 1.002 31.247 30.300 -0.091 0.000 1.179 526 R HN 0.448 nan 8.270 nan 0.000 0.472 527 Y N 0.149 120.390 120.300 -0.098 0.000 2.334 527 Y HA 0.440 4.987 4.550 -0.005 0.000 0.328 527 Y C 0.041 175.877 175.900 -0.108 0.000 1.130 527 Y CA -1.038 57.003 58.100 -0.097 0.000 1.163 527 Y CB 1.311 39.711 38.460 -0.100 0.000 1.207 527 Y HN 0.735 nan 8.280 nan 0.000 0.471 528 D N 0.551 120.975 120.400 0.039 0.000 2.867 528 D HA 0.443 5.081 4.640 -0.005 0.000 0.308 528 D C -1.400 174.797 176.300 -0.172 0.000 1.202 528 D CA -0.649 53.325 54.000 -0.043 0.000 1.035 528 D CB 1.629 42.440 40.800 0.018 0.000 1.427 528 D HN 0.385 nan 8.370 nan 0.000 0.570 529 K N 0.333 120.560 120.400 -0.287 0.000 2.316 529 K HA 0.288 4.605 4.320 -0.005 0.000 0.251 529 K C -1.263 175.033 176.600 -0.506 0.000 0.934 529 K CA -0.750 55.270 56.287 -0.444 0.000 0.802 529 K CB 1.806 33.934 32.500 -0.620 0.000 1.171 529 K HN 0.211 nan 8.250 nan 0.000 0.426 530 D N 2.661 122.816 120.400 -0.409 0.000 2.563 530 D HA 0.046 4.683 4.640 -0.005 0.000 0.222 530 D C 0.419 176.714 176.300 -0.008 0.000 1.145 530 D CA -0.108 53.700 54.000 -0.321 0.000 1.001 530 D CB 0.001 40.608 40.800 -0.323 0.000 1.049 530 D HN 0.398 nan 8.370 nan 0.000 0.515 531 Y N 1.383 121.742 120.300 0.099 0.000 2.102 531 Y HA -0.329 4.219 4.550 -0.004 0.000 0.280 531 Y C 2.779 178.834 175.900 0.258 0.000 1.178 531 Y CA 1.537 59.719 58.100 0.137 0.000 1.146 531 Y CB -1.085 37.338 38.460 -0.061 0.000 0.968 531 Y HN 0.446 nan 8.280 nan 0.000 0.504 532 S N -0.415 115.486 115.700 0.334 0.000 2.441 532 S HA -0.269 4.199 4.470 -0.005 0.000 0.249 532 S C 1.109 175.852 174.600 0.238 0.000 1.097 532 S CA 1.401 59.743 58.200 0.236 0.000 1.080 532 S CB -0.840 62.471 63.200 0.185 0.000 0.914 532 S HN 0.414 nan 8.310 nan 0.000 0.464 533 S N -0.405 115.445 115.700 0.250 0.000 2.532 533 S HA 0.565 5.032 4.470 -0.005 0.000 0.299 533 S C -1.084 173.601 174.600 0.142 0.000 1.105 533 S CA -0.933 57.375 58.200 0.181 0.000 1.018 533 S CB 1.294 64.545 63.200 0.086 0.000 1.021 533 S HN 0.442 nan 8.310 nan 0.000 0.483 534 Y N 4.870 125.134 120.300 -0.060 0.000 2.323 534 Y HA 0.638 5.185 4.550 -0.005 0.000 0.331 534 Y C -2.341 173.429 175.900 -0.217 0.000 1.092 534 Y CA -1.823 56.067 58.100 -0.350 0.000 1.150 534 Y CB 0.685 38.914 38.460 -0.385 0.000 1.200 534 Y HN 0.606 nan 8.280 nan 0.000 0.472 535 P HA 0.146 nan 4.420 nan 0.000 0.275 535 P C -1.643 175.212 177.300 -0.742 0.000 1.228 535 P CA -0.046 62.121 63.100 -1.555 0.000 0.786 535 P CB 0.256 31.291 31.700 -1.110 0.000 0.927 536 Y N 0.587 120.728 120.300 -0.266 0.000 2.569 536 Y HA 0.142 4.689 4.550 -0.005 0.000 0.332 536 Y C 1.425 177.198 175.900 -0.211 0.000 1.120 536 Y CA -0.365 57.654 58.100 -0.134 0.000 1.416 536 Y CB -0.020 38.434 38.460 -0.009 0.000 1.210 536 Y HN 0.394 nan 8.280 nan 0.000 0.528 537 Q N 0.793 120.536 119.800 -0.096 0.000 2.712 537 Q HA 0.691 5.028 4.340 -0.005 0.000 0.267 537 Q C -0.716 175.165 176.000 -0.198 0.000 1.062 537 Q CA -1.289 54.424 55.803 -0.150 0.000 0.888 537 Q CB 1.452 30.097 28.738 -0.156 0.000 1.374 537 Q HN 0.595 nan 8.270 nan 0.000 0.498 538 T N -1.663 112.762 114.554 -0.214 0.000 2.902 538 T HA 0.614 4.961 4.350 -0.005 0.000 0.283 538 T C -0.049 174.473 174.700 -0.296 0.000 1.009 538 T CA -0.443 61.501 62.100 -0.259 0.000 1.051 538 T CB 1.432 70.144 68.868 -0.261 0.000 0.999 538 T HN 0.727 nan 8.240 nan 0.000 0.474 539 V N 1.114 120.846 119.914 -0.304 0.000 3.240 539 V HA 0.846 4.963 4.120 -0.005 0.000 0.306 539 V C -0.749 175.225 176.094 -0.200 0.000 1.227 539 V CA -0.951 61.187 62.300 -0.270 0.000 1.047 539 V CB 1.815 33.440 31.823 -0.330 0.000 1.203 539 V HN 1.160 nan 8.190 nan 0.000 0.471 543 G N -0.974 107.820 108.800 -0.010 0.000 2.787 543 G HA2 0.377 4.334 3.960 -0.005 0.000 0.685 543 G HA3 0.377 4.334 3.960 -0.005 0.000 0.685 543 G C -0.152 174.674 174.900 -0.123 0.000 1.437 543 G CA -0.008 45.000 45.100 -0.154 0.000 0.872 543 G HN 1.841 nan 8.290 nan 0.000 0.566 544 V N -3.246 116.495 119.914 -0.288 0.000 3.258 544 V HA 0.950 5.068 4.120 -0.005 0.000 0.298 544 V C 0.053 176.079 176.094 -0.114 0.000 1.489 544 V CA -0.273 61.966 62.300 -0.101 0.000 1.062 544 V CB 1.358 33.078 31.823 -0.172 0.000 1.116 544 V HN 1.852 nan 8.190 nan 0.000 0.464 545 S N 0.757 116.461 115.700 0.006 0.000 2.513 545 S HA 0.925 5.392 4.470 -0.005 0.000 0.299 545 S C -0.858 173.722 174.600 -0.033 0.000 1.087 545 S CA -0.602 57.628 58.200 0.049 0.000 1.012 545 S CB 1.383 64.703 63.200 0.200 0.000 1.044 545 S HN 0.693 nan 8.310 nan 0.000 0.485 546 L N 1.624 122.782 121.223 -0.109 0.000 2.409 546 L HA 0.672 5.010 4.340 -0.005 0.000 0.262 546 L C -1.748 175.069 176.870 -0.088 0.000 0.992 546 L CA -0.570 54.251 54.840 -0.032 0.000 0.817 546 L CB 1.903 43.890 42.059 -0.121 0.000 1.350 546 L HN 0.647 nan 8.230 nan 0.000 0.411 547 W N 0.702 121.932 121.300 -0.118 0.000 2.915 547 W HA 0.589 5.246 4.660 -0.005 0.000 0.337 547 W C -1.011 175.534 176.519 0.044 0.000 1.102 547 W CA -0.405 56.917 57.345 -0.039 0.000 1.224 547 W CB 1.855 31.289 29.460 -0.044 0.000 1.416 547 W HN 0.237 nan 8.180 nan 0.000 0.503 548 D N 2.286 122.829 120.400 0.239 0.000 2.732 548 D HA 0.557 5.194 4.640 -0.005 0.000 0.229 548 D C -1.736 174.673 176.300 0.181 0.000 1.152 548 D CA -0.751 53.348 54.000 0.164 0.000 0.854 548 D CB 3.059 43.894 40.800 0.060 0.000 1.590 548 D HN 0.264 nan 8.370 nan 0.000 0.468 549 L N 1.085 122.402 121.223 0.158 0.000 2.439 549 L HA 0.666 5.004 4.340 -0.005 0.000 0.270 549 L C -1.532 175.408 176.870 0.117 0.000 0.972 549 L CA -0.296 54.639 54.840 0.158 0.000 0.836 549 L CB 1.641 43.810 42.059 0.183 0.000 1.255 549 L HN 0.577 nan 8.230 nan 0.000 0.404 550 A N 4.561 127.440 122.820 0.099 0.000 2.355 550 A HA 0.869 5.186 4.320 -0.005 0.000 0.317 550 A C -1.133 176.481 177.584 0.051 0.000 1.094 550 A CA -0.237 51.854 52.037 0.090 0.000 0.764 550 A CB 1.770 20.839 19.000 0.115 0.000 1.230 550 A HN 1.158 nan 8.150 nan 0.000 0.448 551 V N -1.192 118.765 119.914 0.071 0.000 2.962 551 V HA 1.014 5.131 4.120 -0.005 0.000 0.313 551 V C -0.314 175.835 176.094 0.092 0.000 1.099 551 V CA -0.320 62.024 62.300 0.073 0.000 0.971 551 V CB 1.487 33.388 31.823 0.131 0.000 1.028 551 V HN 2.155 nan 8.190 nan 0.000 0.430 552 A N 2.916 125.784 122.820 0.081 0.000 2.459 552 A HA 0.805 5.123 4.320 -0.005 0.000 0.296 552 A C -1.859 175.701 177.584 -0.040 0.000 1.039 552 A CA -0.511 51.544 52.037 0.029 0.000 0.698 552 A CB 1.624 20.614 19.000 -0.017 0.000 1.261 552 A HN 1.629 nan 8.150 nan 0.000 0.405 553 Y N 3.793 123.943 120.300 -0.250 0.000 2.350 553 Y HA 0.617 5.164 4.550 -0.005 0.000 0.338 553 Y C -2.613 173.123 175.900 -0.273 0.000 0.961 553 Y CA -2.341 55.480 58.100 -0.465 0.000 1.100 553 Y CB 2.665 40.660 38.460 -0.775 0.000 1.179 553 Y HN 0.475 nan 8.280 nan 0.000 0.454 554 P HA 0.166 nan 4.420 nan 0.000 0.284 554 P C -1.109 175.881 177.300 -0.516 0.000 1.343 554 P CA 0.028 62.836 63.100 -0.488 0.000 0.826 554 P CB 1.041 32.476 31.700 -0.441 0.000 0.956 555 V N 4.790 124.612 119.914 -0.154 0.000 2.333 555 V HA 0.287 4.404 4.120 -0.005 0.000 0.274 555 V C 1.482 177.575 176.094 -0.003 0.000 1.028 555 V CA 0.983 63.294 62.300 0.019 0.000 0.851 555 V CB 0.209 32.133 31.823 0.167 0.000 1.000 555 V HN 0.993 nan 8.190 nan 0.000 0.456 556 T N 3.319 117.859 114.554 -0.023 0.000 13.837 556 T HA -0.329 4.019 4.350 -0.005 0.000 0.419 556 T C 1.074 175.720 174.700 -0.090 0.000 1.442 556 T CA 2.298 64.392 62.100 -0.010 0.000 2.344 556 T CB -1.449 67.462 68.868 0.071 0.000 2.775 556 T HN 1.141 nan 8.240 nan 0.000 0.422 557 S N 0.433 116.058 115.700 -0.125 0.000 5.433 557 S HA 0.268 4.735 4.470 -0.005 0.000 0.146 557 S C -1.076 173.275 174.600 -0.415 0.000 1.105 557 S CA 0.744 58.719 58.200 -0.375 0.000 1.385 557 S CB 0.023 62.812 63.200 -0.684 0.000 1.966 557 S HN 1.236 nan 8.310 nan 0.000 0.575 558 H N 2.667 121.638 119.070 -0.164 0.000 2.680 558 H HA 0.775 5.328 4.556 -0.005 0.000 0.260 558 H C -0.157 175.028 175.328 -0.238 0.000 1.328 558 H CA -0.603 55.265 56.048 -0.301 0.000 1.269 558 H CB 0.494 29.922 29.762 -0.557 0.000 1.446 558 H HN 0.296 nan 8.280 nan 0.000 0.527 559 L N 1.536 122.781 121.223 0.037 0.000 2.658 559 L HA 0.078 4.415 4.340 -0.005 0.000 0.245 559 L C -1.544 175.360 176.870 0.056 0.000 1.224 559 L CA 0.050 54.965 54.840 0.126 0.000 0.932 559 L CB -0.036 42.149 42.059 0.210 0.000 1.111 559 L HN 0.499 nan 8.230 nan 0.000 0.621 560 T N 1.084 115.649 114.554 0.017 0.000 2.869 560 T HA 0.539 4.886 4.350 -0.005 0.000 0.295 560 T C 0.182 174.896 174.700 0.023 0.000 0.987 560 T CA -0.153 61.942 62.100 -0.008 0.000 1.109 560 T CB 2.176 71.018 68.868 -0.043 0.000 0.932 560 T HN 0.224 nan 8.240 nan 0.000 0.518 561 V N 4.204 124.140 119.914 0.037 0.000 2.513 561 V HA 0.614 4.732 4.120 -0.005 0.000 0.299 561 V C 0.148 176.274 176.094 0.053 0.000 1.035 561 V CA -0.956 61.372 62.300 0.048 0.000 0.889 561 V CB 1.669 33.526 31.823 0.057 0.000 0.988 561 V HN 0.746 nan 8.190 nan 0.000 0.440 562 R N 1.653 122.188 120.500 0.059 0.000 2.725 562 R HA 0.781 5.118 4.340 -0.005 0.000 0.277 562 R C -0.447 175.909 176.300 0.093 0.000 0.987 562 R CA -0.723 55.419 56.100 0.071 0.000 0.901 562 R CB 2.632 32.968 30.300 0.060 0.000 1.207 562 R HN 0.944 nan 8.270 nan 0.000 0.463 563 G N 1.458 110.323 108.800 0.107 0.000 2.662 563 G HA2 0.475 4.432 3.960 -0.005 0.000 0.302 563 G HA3 0.475 4.432 3.960 -0.005 0.000 0.302 563 G C -1.558 173.417 174.900 0.125 0.000 1.389 563 G CA -0.384 44.791 45.100 0.124 0.000 0.998 563 G HN 0.365 nan 8.290 nan 0.000 0.502 564 K N 1.392 121.875 120.400 0.138 0.000 2.435 564 K HA 0.719 5.036 4.320 -0.005 0.000 0.251 564 K C -1.363 175.310 176.600 0.122 0.000 0.954 564 K CA -0.940 55.418 56.287 0.119 0.000 0.820 564 K CB 2.152 34.708 32.500 0.093 0.000 1.292 564 K HN 0.390 nan 8.250 nan 0.000 0.436 565 I N 2.760 123.378 120.570 0.079 0.000 2.503 565 I HA 0.304 4.471 4.170 -0.005 0.000 0.282 565 I C -0.503 175.616 176.117 0.002 0.000 1.059 565 I CA -0.809 60.488 61.300 -0.004 0.000 1.081 565 I CB 1.797 39.810 38.000 0.021 0.000 1.210 565 I HN 0.661 nan 8.210 nan 0.000 0.450 566 A N 4.367 127.165 122.820 -0.037 0.000 2.304 566 A HA 0.443 4.760 4.320 -0.005 0.000 0.301 566 A C 0.597 178.197 177.584 0.026 0.000 1.132 566 A CA -0.371 51.671 52.037 0.009 0.000 0.819 566 A CB 0.375 19.372 19.000 -0.005 0.000 1.094 566 A HN 0.955 nan 8.150 nan 0.000 0.492 567 N N 0.388 119.148 118.700 0.099 0.000 2.696 567 N HA -0.160 4.577 4.740 -0.005 0.000 0.256 567 N C 0.669 176.293 175.510 0.191 0.000 1.031 567 N CA 0.040 53.181 53.050 0.153 0.000 0.730 567 N CB -0.635 37.931 38.487 0.131 0.000 0.894 567 N HN 0.681 nan 8.380 nan 0.000 0.544 568 L N 0.512 121.913 121.223 0.297 0.000 2.030 568 L HA -0.231 4.106 4.340 -0.005 0.000 0.222 568 L C 1.339 178.403 176.870 0.324 0.000 1.082 568 L CA 2.239 57.288 54.840 0.348 0.000 0.785 568 L CB -0.896 41.556 42.059 0.655 0.000 0.895 568 L HN 0.517 nan 8.230 nan 0.000 0.439 569 F N -0.546 119.408 119.950 0.007 0.000 2.797 569 F HA 0.150 4.675 4.527 -0.005 0.000 0.302 569 F C 1.138 176.948 175.800 0.018 0.000 1.130 569 F CA -0.264 57.729 58.000 -0.011 0.000 1.387 569 F CB -0.926 38.050 39.000 -0.040 0.000 1.107 569 F HN 0.162 nan 8.300 nan 0.000 0.577 570 D N 1.725 122.250 120.400 0.208 0.000 2.723 570 D HA -0.250 4.387 4.640 -0.005 0.000 0.236 570 D C 0.297 176.686 176.300 0.149 0.000 1.138 570 D CA 0.538 54.616 54.000 0.129 0.000 0.676 570 D CB -0.777 40.072 40.800 0.082 0.000 1.069 570 D HN 0.494 nan 8.370 nan 0.000 0.430 571 K N 0.658 121.173 120.400 0.191 0.000 2.249 571 K HA 0.371 4.688 4.320 -0.005 0.000 0.280 571 K C -0.440 176.284 176.600 0.206 0.000 1.033 571 K CA -0.535 55.864 56.287 0.187 0.000 0.946 571 K CB 0.878 33.489 32.500 0.186 0.000 1.005 571 K HN 0.001 nan 8.250 nan 0.000 0.469 572 D N 2.245 122.738 120.400 0.155 0.000 2.198 572 D HA 0.318 4.955 4.640 -0.005 0.000 0.245 572 D C -1.388 175.020 176.300 0.179 0.000 1.079 572 D CA -0.005 54.057 54.000 0.102 0.000 0.854 572 D CB 0.478 41.301 40.800 0.038 0.000 1.148 572 D HN 0.533 nan 8.370 nan 0.000 0.456 573 Y N -0.587 119.721 120.300 0.013 0.000 2.750 573 Y HA 0.562 5.110 4.550 -0.005 0.000 0.335 573 Y C -1.704 174.199 175.900 0.005 0.000 1.252 573 Y CA -1.117 56.989 58.100 0.010 0.000 1.064 573 Y CB 1.029 39.493 38.460 0.008 0.000 1.321 573 Y HN 0.221 nan 8.280 nan 0.000 0.451 574 E N 0.080 120.322 120.200 0.071 0.000 2.293 574 E HA 0.346 4.693 4.350 -0.005 0.000 0.270 574 E C -0.464 176.273 176.600 0.229 0.000 0.879 574 E CA -0.381 56.013 56.400 -0.009 0.000 0.756 574 E CB 2.476 32.178 29.700 0.004 0.000 1.208 574 E HN 0.816 nan 8.360 nan 0.000 0.428 575 T N -2.150 112.508 114.554 0.174 0.000 3.031 575 T HA 0.117 4.465 4.350 -0.005 0.000 0.254 575 T C 0.624 175.395 174.700 0.118 0.000 1.060 575 T CA 0.106 62.307 62.100 0.168 0.000 1.135 575 T CB 0.196 69.148 68.868 0.141 0.000 0.896 575 T HN 0.155 nan 8.240 nan 0.000 0.472 576 V N 1.931 121.911 119.914 0.111 0.000 2.409 576 V HA 0.392 4.509 4.120 -0.005 0.000 0.291 576 V C -0.725 175.592 176.094 0.372 0.000 1.020 576 V CA -1.742 60.653 62.300 0.158 0.000 0.848 576 V CB 0.786 32.549 31.823 -0.101 0.000 0.990 576 V HN 0.431 nan 8.190 nan 0.000 0.430 577 Y N 4.148 124.592 120.300 0.241 0.000 2.805 577 Y HA 0.363 4.910 4.550 -0.005 0.000 0.331 577 Y C 1.367 177.380 175.900 0.187 0.000 1.241 577 Y CA 1.992 60.202 58.100 0.184 0.000 1.546 577 Y CB 0.451 38.964 38.460 0.087 0.000 1.248 577 Y HN 1.017 nan 8.280 nan 0.000 0.559 578 G N 3.748 112.207 108.800 -0.569 0.000 2.232 578 G HA2 -0.293 3.664 3.960 -0.005 0.000 0.226 578 G HA3 -0.293 3.664 3.960 -0.005 0.000 0.226 578 G C -0.640 173.915 174.900 -0.575 0.000 0.996 578 G CA 0.032 44.770 45.100 -0.604 0.000 0.626 578 G HN 0.620 nan 8.290 nan 0.000 0.509 579 Y N 2.322 122.538 120.300 -0.140 0.000 2.369 579 Y HA 0.642 5.189 4.550 -0.005 0.000 0.337 579 Y C 0.770 176.582 175.900 -0.147 0.000 0.961 579 Y CA -1.006 57.029 58.100 -0.108 0.000 1.186 579 Y CB 0.816 39.237 38.460 -0.066 0.000 1.139 579 Y HN 0.221 nan 8.280 nan 0.000 0.494 580 Q N 2.101 121.869 119.800 -0.052 0.000 2.364 580 Q HA 0.192 4.529 4.340 -0.005 0.000 0.267 580 Q C 0.393 176.313 176.000 -0.133 0.000 0.999 580 Q CA -0.077 55.659 55.803 -0.112 0.000 0.886 580 Q CB 0.794 29.472 28.738 -0.101 0.000 1.243 580 Q HN 0.771 nan 8.270 nan 0.000 0.415 581 T N -1.673 112.725 114.554 -0.259 0.000 2.874 581 T HA 0.620 4.967 4.350 -0.005 0.000 0.281 581 T C -0.285 174.303 174.700 -0.186 0.000 0.994 581 T CA -0.969 60.948 62.100 -0.305 0.000 1.015 581 T CB 1.318 69.757 68.868 -0.716 0.000 1.028 581 T HN 0.572 nan 8.240 nan 0.000 0.523 582 A N 0.665 123.412 122.820 -0.121 0.000 2.328 582 A HA 0.706 5.024 4.320 -0.005 0.000 0.318 582 A C 0.338 177.903 177.584 -0.033 0.000 1.347 582 A CA -0.659 51.343 52.037 -0.058 0.000 0.842 582 A CB 0.109 19.088 19.000 -0.034 0.000 1.148 582 A HN 1.285 nan 8.150 nan 0.000 0.499 583 G N 1.517 110.309 108.800 -0.014 0.000 3.378 583 G HA2 0.512 4.469 3.960 -0.005 0.000 0.332 583 G HA3 0.512 4.469 3.960 -0.005 0.000 0.332 583 G C -0.243 174.671 174.900 0.024 0.000 1.490 583 G CA -0.491 44.630 45.100 0.035 0.000 1.068 583 G HN 0.584 nan 8.290 nan 0.000 0.492 584 R N 1.221 121.710 120.500 -0.018 0.000 2.426 584 R HA 0.016 4.353 4.340 -0.005 0.000 0.129 584 R C -0.643 175.564 176.300 -0.155 0.000 0.893 584 R CA -0.515 55.540 56.100 -0.074 0.000 0.846 584 R CB -0.986 29.304 30.300 -0.016 0.000 1.151 584 R HN 0.588 nan 8.270 nan 0.000 0.656 585 E N 0.878 120.989 120.200 -0.147 0.000 2.204 585 E HA 0.288 4.636 4.350 -0.005 0.000 0.276 585 E C -0.696 175.782 176.600 -0.203 0.000 0.974 585 E CA -0.799 55.538 56.400 -0.104 0.000 0.815 585 E CB 1.605 31.291 29.700 -0.023 0.000 1.119 585 E HN 0.105 nan 8.360 nan 0.000 0.393 586 Y N 0.791 121.151 120.300 0.099 0.000 2.335 586 Y HA 0.251 4.799 4.550 -0.005 0.000 0.339 586 Y C 0.262 176.256 175.900 0.157 0.000 0.987 586 Y CA -0.440 57.734 58.100 0.123 0.000 1.140 586 Y CB 1.835 40.380 38.460 0.142 0.000 1.173 586 Y HN 0.293 nan 8.280 nan 0.000 0.486 587 T N 5.251 119.965 114.554 0.267 0.000 2.829 587 T HA 0.481 4.829 4.350 -0.005 0.000 0.280 587 T C -1.342 173.514 174.700 0.260 0.000 0.999 587 T CA -0.718 61.537 62.100 0.259 0.000 0.983 587 T CB 1.370 70.316 68.868 0.130 0.000 0.968 587 T HN 0.330 nan 8.240 nan 0.000 0.446 588 L N 3.573 124.976 121.223 0.300 0.000 2.385 588 L HA 0.801 5.138 4.340 -0.005 0.000 0.273 588 L C -0.533 176.443 176.870 0.177 0.000 0.990 588 L CA -0.284 54.669 54.840 0.187 0.000 0.821 588 L CB 1.574 43.689 42.059 0.093 0.000 1.279 588 L HN 0.943 nan 8.230 nan 0.000 0.412 589 S N 3.041 118.812 115.700 0.119 0.000 2.607 589 S HA 0.970 5.438 4.470 -0.005 0.000 0.273 589 S C -0.726 173.907 174.600 0.054 0.000 1.148 589 S CA -0.134 58.127 58.200 0.102 0.000 0.833 589 S CB 2.167 65.445 63.200 0.129 0.000 1.130 589 S HN 0.979 nan 8.310 nan 0.000 0.470 590 G N 0.111 108.929 108.800 0.030 0.000 2.694 590 G HA2 0.709 4.666 3.960 -0.005 0.000 0.290 590 G HA3 0.709 4.666 3.960 -0.005 0.000 0.290 590 G C -1.503 173.411 174.900 0.022 0.000 1.386 590 G CA -0.822 44.290 45.100 0.020 0.000 0.872 590 G HN 1.083 nan 8.290 nan 0.000 0.475 591 S N -0.917 114.809 115.700 0.043 0.000 2.546 591 S HA 0.529 4.996 4.470 -0.005 0.000 0.272 591 S C -1.828 172.850 174.600 0.129 0.000 1.140 591 S CA -0.545 57.695 58.200 0.067 0.000 0.920 591 S CB 1.722 64.945 63.200 0.039 0.000 1.083 591 S HN 0.716 nan 8.310 nan 0.000 0.476 592 Y N 1.709 122.029 120.300 0.033 0.000 2.350 592 Y HA 0.618 5.165 4.550 -0.005 0.000 0.338 592 Y C -0.499 175.509 175.900 0.180 0.000 0.961 592 Y CA -0.128 58.009 58.100 0.061 0.000 1.100 592 Y CB 1.434 39.870 38.460 -0.039 0.000 1.179 592 Y HN 0.624 nan 8.280 nan 0.000 0.454 593 T N 7.410 121.779 114.554 -0.309 0.000 2.888 593 T HA 0.705 5.052 4.350 -0.005 0.000 0.284 593 T C -1.376 173.238 174.700 -0.144 0.000 1.017 593 T CA -0.313 61.751 62.100 -0.061 0.000 1.022 593 T CB 1.114 69.962 68.868 -0.034 0.000 1.013 593 T HN 0.551 nan 8.240 nan 0.000 0.465 594 F N 0.000 119.820 119.950 -0.216 0.000 2.286 594 F HA 0.000 4.524 4.527 -0.005 0.000 0.279 594 F CA 0.000 57.909 58.000 -0.152 0.000 1.383 594 F CB 0.000 38.969 39.000 -0.051 0.000 1.145 594 F HN 0.000 nan 8.300 nan 0.000 0.574