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 3ov7_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVEEILEKA LELVIPDEEE VRKGREAEEE LRRRLDELGV EYVFVGSYAR DATA SEQUENCE NTWLKGSLEI DVFLLFPEEF SKEELRERGL EIGKAVLDSY EIRYAEHPYV DATA SEQUENCE HGVVKGVEVD VVPCYKLKEP KNIKSAVDRT PFHHKWLEGR IKGKENEVRL DATA SEQUENCE LKGFLKANGI YGAEYKVRGF SGYLCELLIV FYGSFLETVK NARRWTRRTV DATA SEQUENCE IDVAKGEVRK GEEFFVVDPV DEKRNVAANL SLDNLARFVH LCREFMEAPS DATA SEQUENCE LGFFKPKHPL EIEPERLRKI VEERGTAVFA VKFRKPDIVD DNLYPQLERA DATA SEQUENCE SRKIFEFLER ENFMPLRSAF KASEEFCYLL FECQIKEISR VFRRMGPQFE DATA SEQUENCE DERNVKKFLS RNRAFRPFIE NGRWWAFEMR KFTTPEEGVR SYASTHWHTL DATA SEQUENCE GKNVGESIRE YFEIISGEKL FKEPVTAELC EMMGVKDCCC M VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.273 176.300 -0.045 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.025 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.011 0.000 1.302 2 K N 0.803 121.179 120.400 -0.040 0.000 2.485 2 K HA 0.166 4.486 4.320 0.001 0.000 0.277 2 K C 0.784 177.354 176.600 -0.051 0.000 0.990 2 K CA 0.164 56.421 56.287 -0.049 0.000 0.994 2 K CB 0.626 33.104 32.500 -0.036 0.000 0.906 2 K HN 0.543 nan 8.250 nan 0.000 0.488 3 V N 2.458 122.330 119.914 -0.070 0.000 2.392 3 V HA -0.278 3.843 4.120 0.001 0.000 0.249 3 V C 1.539 177.642 176.094 0.016 0.000 1.059 3 V CA 1.907 64.175 62.300 -0.054 0.000 1.051 3 V CB -0.694 31.085 31.823 -0.072 0.000 0.658 3 V HN 0.757 nan 8.190 nan 0.000 0.455 4 E N 0.584 120.783 120.200 -0.000 0.000 2.110 4 E HA -0.223 4.128 4.350 0.001 0.000 0.193 4 E C 2.215 178.813 176.600 -0.002 0.000 0.988 4 E CA 1.615 58.018 56.400 0.005 0.000 0.804 4 E CB -0.216 29.479 29.700 -0.009 0.000 0.745 4 E HN 0.753 nan 8.360 nan 0.000 0.458 5 E N 0.468 120.663 120.200 -0.008 0.000 2.158 5 E HA -0.083 4.267 4.350 0.001 0.000 0.191 5 E C 2.037 178.631 176.600 -0.010 0.000 0.982 5 E CA 0.416 56.808 56.400 -0.013 0.000 0.823 5 E CB 0.059 29.751 29.700 -0.013 0.000 0.766 5 E HN 0.205 nan 8.360 nan 0.000 0.468 6 I N 1.210 121.787 120.570 0.011 0.000 2.286 6 I HA -0.245 3.926 4.170 0.001 0.000 0.248 6 I C 2.290 178.399 176.117 -0.013 0.000 1.115 6 I CA 1.344 62.669 61.300 0.042 0.000 1.392 6 I CB -0.610 37.453 38.000 0.105 0.000 1.065 6 I HN 0.194 nan 8.210 nan 0.000 0.418 7 L N -0.097 121.119 121.223 -0.012 0.000 2.109 7 L HA -0.127 4.213 4.340 0.001 0.000 0.207 7 L C 2.620 179.397 176.870 -0.155 0.000 1.086 7 L CA 0.877 55.647 54.840 -0.116 0.000 0.760 7 L CB -0.510 41.550 42.059 0.002 0.000 0.910 7 L HN 0.149 nan 8.230 nan 0.000 0.437 8 E N 0.691 120.838 120.200 -0.088 0.000 2.085 8 E HA -0.226 4.125 4.350 0.001 0.000 0.194 8 E C 2.137 178.676 176.600 -0.101 0.000 0.994 8 E CA 1.234 57.583 56.400 -0.085 0.000 0.801 8 E CB -0.057 29.611 29.700 -0.053 0.000 0.743 8 E HN 0.406 nan 8.360 nan 0.000 0.453 9 K N 0.053 120.399 120.400 -0.090 0.000 2.148 9 K HA -0.026 4.294 4.320 0.001 0.000 0.204 9 K C 2.006 178.525 176.600 -0.134 0.000 1.050 9 K CA 0.861 57.099 56.287 -0.082 0.000 0.942 9 K CB -0.015 32.461 32.500 -0.041 0.000 0.724 9 K HN 0.017 nan 8.250 nan 0.000 0.446 10 A N 1.167 123.835 122.820 -0.252 0.000 2.014 10 A HA -0.062 4.259 4.320 0.001 0.000 0.218 10 A C 2.013 179.402 177.584 -0.325 0.000 1.163 10 A CA 0.847 52.624 52.037 -0.432 0.000 0.652 10 A CB -0.381 17.964 19.000 -1.092 0.000 0.808 10 A HN 0.150 nan 8.150 nan 0.000 0.449 11 L N -0.929 120.145 121.223 -0.249 0.000 2.131 11 L HA -0.164 4.176 4.340 0.001 0.000 0.210 11 L C 2.322 179.112 176.870 -0.132 0.000 1.092 11 L CA 1.277 56.006 54.840 -0.186 0.000 0.759 11 L CB -0.353 41.617 42.059 -0.149 0.000 0.903 11 L HN 0.309 nan 8.230 nan 0.000 0.435 12 E N -0.442 119.695 120.200 -0.105 0.000 2.338 12 E HA -0.149 4.202 4.350 0.001 0.000 0.197 12 E C 1.770 178.338 176.600 -0.054 0.000 1.007 12 E CA 0.578 56.937 56.400 -0.068 0.000 0.849 12 E CB 0.112 29.784 29.700 -0.047 0.000 0.774 12 E HN 0.198 nan 8.360 nan 0.000 0.506 13 L N -0.750 120.433 121.223 -0.067 0.000 2.446 13 L HA 0.047 4.387 4.340 0.001 0.000 0.219 13 L C 1.842 178.691 176.870 -0.034 0.000 1.116 13 L CA 0.864 55.685 54.840 -0.030 0.000 0.844 13 L CB -0.119 41.938 42.059 -0.004 0.000 0.970 13 L HN 0.175 nan 8.230 nan 0.000 0.457 14 V N -4.774 115.092 119.914 -0.079 0.000 3.548 14 V HA 0.353 4.473 4.120 0.001 0.000 0.279 14 V C 0.802 176.818 176.094 -0.130 0.000 1.446 14 V CA -0.204 62.042 62.300 -0.090 0.000 1.023 14 V CB 0.485 32.241 31.823 -0.111 0.000 0.820 14 V HN -0.008 nan 8.190 nan 0.000 0.438 15 I N 4.355 124.844 120.570 -0.134 0.000 2.304 15 I HA 0.423 4.593 4.170 0.001 0.000 0.291 15 I C -2.200 173.826 176.117 -0.152 0.000 1.018 15 I CA -2.173 59.020 61.300 -0.178 0.000 1.260 15 I CB 1.698 39.605 38.000 -0.155 0.000 1.390 15 I HN 0.088 nan 8.210 nan 0.000 0.475 16 P HA -0.014 nan 4.420 nan 0.000 0.264 16 P C -1.166 176.107 177.300 -0.046 0.000 1.183 16 P CA -0.063 62.981 63.100 -0.093 0.000 0.763 16 P CB 0.303 31.899 31.700 -0.172 0.000 0.807 17 D N 1.051 121.467 120.400 0.026 0.000 2.432 17 D HA 0.100 4.740 4.640 0.001 0.000 0.258 17 D C 1.009 177.347 176.300 0.064 0.000 1.146 17 D CA -0.568 53.447 54.000 0.026 0.000 1.015 17 D CB 0.382 41.198 40.800 0.028 0.000 1.107 17 D HN 0.231 nan 8.370 nan 0.000 0.529 18 E N -0.601 119.630 120.200 0.051 0.000 2.338 18 E HA -0.163 4.187 4.350 0.001 0.000 0.197 18 E C 1.398 178.047 176.600 0.082 0.000 1.007 18 E CA 0.498 56.939 56.400 0.067 0.000 0.849 18 E CB 0.089 29.815 29.700 0.044 0.000 0.774 18 E HN 0.603 nan 8.360 nan 0.000 0.506 19 E N 1.517 121.762 120.200 0.075 0.000 2.049 19 E HA -0.214 4.137 4.350 0.001 0.000 0.198 19 E C 1.868 178.532 176.600 0.107 0.000 1.007 19 E CA 1.621 58.068 56.400 0.078 0.000 0.809 19 E CB -0.013 29.728 29.700 0.069 0.000 0.749 19 E HN 0.204 nan 8.360 nan 0.000 0.450 20 E N -0.857 119.432 120.200 0.147 0.000 2.112 20 E HA -0.074 4.276 4.350 0.001 0.000 0.190 20 E C 2.089 178.858 176.600 0.283 0.000 0.979 20 E CA 0.862 57.387 56.400 0.207 0.000 0.814 20 E CB 0.258 30.119 29.700 0.268 0.000 0.762 20 E HN 0.182 nan 8.360 nan 0.000 0.460 21 V N 1.008 121.112 119.914 0.317 0.000 2.295 21 V HA -0.255 3.866 4.120 0.001 0.000 0.246 21 V C 2.423 178.663 176.094 0.243 0.000 1.049 21 V CA 1.701 64.232 62.300 0.385 0.000 1.024 21 V CB -0.529 31.465 31.823 0.286 0.000 0.648 21 V HN 0.203 nan 8.190 nan 0.000 0.447 22 R N 0.014 120.609 120.500 0.159 0.000 2.094 22 R HA -0.240 4.101 4.340 0.001 0.000 0.239 22 R C 2.515 178.869 176.300 0.091 0.000 1.137 22 R CA 2.096 58.261 56.100 0.108 0.000 0.943 22 R CB -0.332 30.015 30.300 0.078 0.000 0.850 22 R HN 0.414 nan 8.270 nan 0.000 0.433 23 K N -0.916 119.537 120.400 0.087 0.000 2.211 23 K HA -0.119 4.201 4.320 0.001 0.000 0.204 23 K C 1.841 178.451 176.600 0.018 0.000 1.047 23 K CA 1.417 57.734 56.287 0.050 0.000 0.935 23 K CB -0.076 32.456 32.500 0.054 0.000 0.728 23 K HN 0.336 nan 8.250 nan 0.000 0.452 24 G N 0.557 109.385 108.800 0.047 0.000 2.411 24 G HA2 -0.149 3.812 3.960 0.001 0.000 0.213 24 G HA3 -0.149 3.812 3.960 0.001 0.000 0.213 24 G C 1.384 176.306 174.900 0.036 0.000 1.166 24 G CA -0.107 44.970 45.100 -0.039 0.000 0.802 24 G HN 0.106 nan 8.290 nan 0.000 0.533 25 R N 1.478 122.076 120.500 0.163 0.000 2.094 25 R HA -0.115 4.225 4.340 0.001 0.000 0.239 25 R C 2.469 178.802 176.300 0.055 0.000 1.137 25 R CA 1.729 57.914 56.100 0.143 0.000 0.943 25 R CB -0.881 29.490 30.300 0.119 0.000 0.850 25 R HN 0.733 nan 8.270 nan 0.000 0.433 26 E N 0.322 120.544 120.200 0.036 0.000 2.418 26 E HA 0.027 4.377 4.350 0.001 0.000 0.197 26 E C 1.660 178.256 176.600 -0.007 0.000 1.026 26 E CA 0.811 57.220 56.400 0.015 0.000 0.862 26 E CB -0.044 29.667 29.700 0.018 0.000 0.799 26 E HN 0.254 nan 8.360 nan 0.000 0.518 27 A N 1.953 124.754 122.820 -0.032 0.000 1.970 27 A HA -0.166 4.154 4.320 0.001 0.000 0.216 27 A C 2.146 179.696 177.584 -0.057 0.000 1.170 27 A CA 1.168 53.166 52.037 -0.064 0.000 0.645 27 A CB -0.332 18.595 19.000 -0.121 0.000 0.816 27 A HN 0.363 nan 8.150 nan 0.000 0.447 28 E N -0.267 119.894 120.200 -0.064 0.000 2.047 28 E HA -0.212 4.139 4.350 0.001 0.000 0.191 28 E C 1.748 178.346 176.600 -0.003 0.000 0.987 28 E CA 1.131 57.507 56.400 -0.041 0.000 0.799 28 E CB -0.155 29.513 29.700 -0.053 0.000 0.752 28 E HN 0.412 nan 8.360 nan 0.000 0.449 29 E N 0.677 120.875 120.200 -0.004 0.000 2.085 29 E HA -0.218 4.133 4.350 0.001 0.000 0.194 29 E C 1.915 178.527 176.600 0.019 0.000 0.994 29 E CA 1.290 57.696 56.400 0.010 0.000 0.801 29 E CB -0.142 29.565 29.700 0.011 0.000 0.743 29 E HN 0.283 nan 8.360 nan 0.000 0.453 30 E N 0.369 120.574 120.200 0.009 0.000 2.072 30 E HA -0.121 4.230 4.350 0.001 0.000 0.191 30 E C 1.968 178.568 176.600 -0.000 0.000 0.985 30 E CA 0.427 56.829 56.400 0.002 0.000 0.801 30 E CB -0.367 29.328 29.700 -0.008 0.000 0.750 30 E HN 0.093 nan 8.360 nan 0.000 0.452 31 L N 0.857 122.086 121.223 0.011 0.000 2.017 31 L HA -0.075 4.265 4.340 0.001 0.000 0.208 31 L C 2.262 179.114 176.870 -0.030 0.000 1.073 31 L CA 1.777 56.613 54.840 -0.007 0.000 0.745 31 L CB -0.576 41.520 42.059 0.061 0.000 0.894 31 L HN 0.072 nan 8.230 nan 0.000 0.432 32 R N -1.128 119.414 120.500 0.070 0.000 2.081 32 R HA -0.134 4.206 4.340 0.001 0.000 0.235 32 R C 2.326 178.655 176.300 0.049 0.000 1.131 32 R CA 1.506 57.655 56.100 0.082 0.000 0.960 32 R CB -0.273 30.131 30.300 0.173 0.000 0.856 32 R HN 0.345 nan 8.270 nan 0.000 0.436 33 R N 0.024 120.545 120.500 0.035 0.000 2.120 33 R HA -0.111 4.229 4.340 0.001 0.000 0.234 33 R C 2.307 178.612 176.300 0.008 0.000 1.123 33 R CA 1.323 57.440 56.100 0.028 0.000 0.975 33 R CB -0.115 30.196 30.300 0.019 0.000 0.866 33 R HN 0.238 nan 8.270 nan 0.000 0.446 34 R N 0.236 120.723 120.500 -0.022 0.000 2.062 34 R HA -0.006 4.334 4.340 0.001 0.000 0.226 34 R C 2.363 178.629 176.300 -0.056 0.000 1.125 34 R CA 0.959 57.035 56.100 -0.039 0.000 0.966 34 R CB -0.286 29.980 30.300 -0.057 0.000 0.861 34 R HN 0.151 nan 8.270 nan 0.000 0.433 35 L N 0.874 122.022 121.223 -0.124 0.000 2.093 35 L HA -0.192 4.149 4.340 0.001 0.000 0.208 35 L C 1.767 178.657 176.870 0.033 0.000 1.085 35 L CA 1.116 55.852 54.840 -0.174 0.000 0.755 35 L CB -0.399 41.274 42.059 -0.643 0.000 0.904 35 L HN 0.150 nan 8.230 nan 0.000 0.435 36 D N -0.130 120.332 120.400 0.104 0.000 2.097 36 D HA -0.248 4.392 4.640 0.001 0.000 0.195 36 D C 1.974 178.320 176.300 0.077 0.000 0.989 36 D CA 1.267 55.358 54.000 0.151 0.000 0.827 36 D CB -0.146 40.737 40.800 0.139 0.000 0.966 36 D HN 0.381 nan 8.370 nan 0.000 0.456 37 E N 0.283 120.509 120.200 0.044 0.000 2.171 37 E HA -0.167 4.184 4.350 0.001 0.000 0.197 37 E C 1.872 178.486 176.600 0.025 0.000 0.997 37 E CA 0.586 57.002 56.400 0.027 0.000 0.810 37 E CB -0.099 29.609 29.700 0.013 0.000 0.738 37 E HN 0.245 nan 8.360 nan 0.000 0.467 38 L N -0.156 121.081 121.223 0.023 0.000 2.591 38 L HA 0.140 4.480 4.340 0.001 0.000 0.228 38 L C 1.146 178.038 176.870 0.036 0.000 1.133 38 L CA 0.297 55.149 54.840 0.020 0.000 0.880 38 L CB 0.080 42.139 42.059 0.000 0.000 1.033 38 L HN 0.335 nan 8.230 nan 0.000 0.450 39 G N 1.369 110.202 108.800 0.054 0.000 2.395 39 G HA2 -0.245 3.716 3.960 0.001 0.000 0.300 39 G HA3 -0.245 3.716 3.960 0.001 0.000 0.300 39 G C 0.108 175.033 174.900 0.042 0.000 0.998 39 G CA 0.573 45.704 45.100 0.051 0.000 1.046 39 G HN 0.288 nan 8.290 nan 0.000 0.513 40 V N -3.627 116.331 119.914 0.074 0.000 2.667 40 V HA 0.699 4.819 4.120 0.001 0.000 0.308 40 V C 0.462 176.576 176.094 0.033 0.000 1.048 40 V CA -1.799 60.516 62.300 0.025 0.000 0.928 40 V CB 2.129 33.943 31.823 -0.015 0.000 1.004 40 V HN 0.242 nan 8.190 nan 0.000 0.444 41 E N 2.888 123.025 120.200 -0.105 0.000 2.328 41 E HA 0.301 4.652 4.350 0.001 0.000 0.265 41 E C -1.266 175.254 176.600 -0.133 0.000 1.057 41 E CA 0.365 56.659 56.400 -0.177 0.000 0.916 41 E CB 0.672 30.250 29.700 -0.203 0.000 0.993 41 E HN 0.811 nan 8.360 nan 0.000 0.446 42 Y N -0.125 120.089 120.300 -0.144 0.000 2.655 42 Y HA 0.705 5.255 4.550 0.001 0.000 0.336 42 Y C -1.304 174.541 175.900 -0.092 0.000 1.154 42 Y CA -1.296 56.713 58.100 -0.151 0.000 1.055 42 Y CB 1.295 39.649 38.460 -0.177 0.000 1.295 42 Y HN 0.107 nan 8.280 nan 0.000 0.465 43 V N 1.997 121.984 119.914 0.123 0.000 2.852 43 V HA 0.493 4.613 4.120 0.001 0.000 0.300 43 V C -1.897 174.214 176.094 0.029 0.000 1.205 43 V CA -1.037 61.306 62.300 0.071 0.000 0.940 43 V CB 1.510 33.305 31.823 -0.048 0.000 1.047 43 V HN 0.698 nan 8.190 nan 0.000 0.429 44 F N 6.486 126.463 119.950 0.045 0.000 2.472 44 F HA 0.548 5.076 4.527 0.001 0.000 0.364 44 F C 0.736 176.383 175.800 -0.254 0.000 1.090 44 F CA 0.553 58.548 58.000 -0.008 0.000 1.188 44 F CB 1.253 40.296 39.000 0.071 0.000 1.105 44 F HN 0.567 nan 8.300 nan 0.000 0.536 45 V N 0.633 120.487 119.914 -0.100 0.000 3.221 45 V HA 1.048 5.168 4.120 0.001 0.000 0.305 45 V C 0.448 176.559 176.094 0.028 0.000 1.263 45 V CA -0.556 61.598 62.300 -0.244 0.000 1.048 45 V CB 0.806 32.385 31.823 -0.407 0.000 1.203 45 V HN 1.206 nan 8.190 nan 0.000 0.476 46 G N 0.483 109.350 108.800 0.112 0.000 2.796 46 G HA2 -0.118 3.843 3.960 0.001 0.000 0.226 46 G HA3 -0.118 3.843 3.960 0.001 0.000 0.226 46 G C 0.773 175.848 174.900 0.291 0.000 1.381 46 G CA 0.748 45.968 45.100 0.200 0.000 0.867 46 G HN 2.396 nan 8.290 nan 0.000 0.552 47 S N -1.394 114.491 115.700 0.309 0.000 2.419 47 S HA -0.216 4.254 4.470 0.001 0.000 0.235 47 S C 1.975 176.847 174.600 0.453 0.000 1.019 47 S CA 2.343 60.766 58.200 0.371 0.000 0.982 47 S CB -0.356 63.085 63.200 0.403 0.000 0.789 47 S HN 1.471 nan 8.310 nan 0.000 0.490 48 Y N 2.481 122.936 120.300 0.258 0.000 2.220 48 Y HA 0.214 4.765 4.550 0.001 0.000 0.291 48 Y C 2.574 178.624 175.900 0.249 0.000 1.129 48 Y CA 0.820 59.019 58.100 0.164 0.000 1.161 48 Y CB -0.884 37.522 38.460 -0.091 0.000 0.997 48 Y HN 0.319 nan 8.280 nan 0.000 0.522 49 A N 0.322 123.283 122.820 0.235 0.000 2.119 49 A HA -0.048 4.273 4.320 0.001 0.000 0.217 49 A C 1.959 179.681 177.584 0.231 0.000 1.153 49 A CA 1.196 53.333 52.037 0.167 0.000 0.692 49 A CB -0.385 18.727 19.000 0.186 0.000 0.799 49 A HN 0.543 nan 8.150 nan 0.000 0.458 50 R N -0.703 119.954 120.500 0.262 0.000 2.472 50 R HA 0.134 4.474 4.340 0.001 0.000 0.279 50 R C -0.353 176.033 176.300 0.144 0.000 0.953 50 R CA -0.023 56.199 56.100 0.203 0.000 1.088 50 R CB 0.170 30.598 30.300 0.212 0.000 1.197 50 R HN 0.415 nan 8.270 nan 0.000 0.536 51 N N 1.437 120.249 118.700 0.186 0.000 2.721 51 N HA -0.144 4.597 4.740 0.001 0.000 0.249 51 N C 0.084 175.627 175.510 0.055 0.000 1.072 51 N CA 1.797 54.941 53.050 0.158 0.000 0.710 51 N CB -1.184 37.303 38.487 -0.000 0.000 0.993 51 N HN 0.450 nan 8.380 nan 0.000 0.547 52 T N -3.708 110.959 114.554 0.188 0.000 3.248 52 T HA 0.309 4.660 4.350 0.001 0.000 0.271 52 T C 0.271 175.086 174.700 0.192 0.000 1.005 52 T CA -0.830 61.340 62.100 0.117 0.000 0.902 52 T CB -0.511 68.440 68.868 0.138 0.000 1.102 52 T HN 0.396 nan 8.240 nan 0.000 0.548 53 W N 1.519 122.875 121.300 0.093 0.000 2.303 53 W HA 0.729 5.390 4.660 0.001 0.000 0.334 53 W C -1.168 175.393 176.519 0.069 0.000 1.197 53 W CA -1.735 55.677 57.345 0.113 0.000 1.262 53 W CB 0.466 30.026 29.460 0.166 0.000 1.153 53 W HN -0.033 nan 8.180 nan 0.000 0.596 54 L N 3.836 125.181 121.223 0.204 0.000 2.418 54 L HA 0.229 4.570 4.340 0.001 0.000 0.265 54 L C 1.027 177.971 176.870 0.123 0.000 1.143 54 L CA -0.834 54.033 54.840 0.045 0.000 0.809 54 L CB 0.409 42.494 42.059 0.044 0.000 1.124 54 L HN 0.547 nan 8.230 nan 0.000 0.456 55 K N 1.659 122.062 120.400 0.006 0.000 2.530 55 K HA 0.024 4.344 4.320 0.001 0.000 0.280 55 K C 1.034 177.729 176.600 0.157 0.000 1.004 55 K CA 1.048 57.379 56.287 0.073 0.000 1.071 55 K CB -0.077 32.432 32.500 0.015 0.000 0.876 55 K HN 0.854 nan 8.250 nan 0.000 0.487 56 G N 2.402 111.329 108.800 0.212 0.000 2.168 56 G HA2 -0.264 3.697 3.960 0.001 0.000 0.257 56 G HA3 -0.264 3.697 3.960 0.001 0.000 0.257 56 G C 0.282 175.299 174.900 0.194 0.000 0.997 56 G CA 0.613 45.822 45.100 0.181 0.000 0.708 56 G HN 0.550 nan 8.290 nan 0.000 0.520 57 S N -0.812 115.051 115.700 0.272 0.000 2.901 57 S HA 0.416 4.886 4.470 0.001 0.000 0.248 57 S C 0.122 174.874 174.600 0.253 0.000 1.021 57 S CA -0.322 58.026 58.200 0.248 0.000 1.090 57 S CB 0.012 63.362 63.200 0.251 0.000 1.039 57 S HN 0.828 nan 8.310 nan 0.000 0.514 58 L N 3.191 124.509 121.223 0.157 0.000 2.360 58 L HA 0.527 4.868 4.340 0.001 0.000 0.276 58 L C -0.056 176.761 176.870 -0.088 0.000 1.121 58 L CA 0.857 55.615 54.840 -0.137 0.000 0.845 58 L CB 0.517 42.403 42.059 -0.290 0.000 1.143 58 L HN 0.271 nan 8.230 nan 0.000 0.452 59 E N 5.642 125.785 120.200 -0.095 0.000 2.274 59 E HA 0.333 4.683 4.350 0.001 0.000 0.269 59 E C -1.305 175.260 176.600 -0.057 0.000 0.891 59 E CA -0.624 55.759 56.400 -0.029 0.000 0.784 59 E CB 1.199 30.948 29.700 0.082 0.000 1.225 59 E HN 0.690 nan 8.360 nan 0.000 0.412 60 I N 3.166 123.660 120.570 -0.127 0.000 2.472 60 I HA 0.170 4.341 4.170 0.001 0.000 0.290 60 I C -0.123 176.006 176.117 0.020 0.000 1.016 60 I CA -0.196 61.038 61.300 -0.110 0.000 1.348 60 I CB 0.879 38.725 38.000 -0.256 0.000 1.417 60 I HN 0.374 nan 8.210 nan 0.000 0.521 61 D N 6.133 126.589 120.400 0.094 0.000 2.414 61 D HA 0.285 4.925 4.640 0.001 0.000 0.232 61 D C -0.768 175.528 176.300 -0.008 0.000 1.070 61 D CA -0.160 53.896 54.000 0.093 0.000 0.839 61 D CB 2.222 43.110 40.800 0.147 0.000 1.079 61 D HN 0.050 nan 8.370 nan 0.000 0.521 62 V N 3.738 123.591 119.914 -0.102 0.000 2.370 62 V HA 0.304 4.425 4.120 0.001 0.000 0.279 62 V C -0.174 175.925 176.094 0.009 0.000 1.029 62 V CA -0.625 61.508 62.300 -0.277 0.000 0.870 62 V CB 0.719 32.260 31.823 -0.469 0.000 0.984 62 V HN 0.302 nan 8.190 nan 0.000 0.451 63 F N 5.051 124.873 119.950 -0.214 0.000 2.420 63 F HA 0.609 5.136 4.527 0.001 0.000 0.342 63 F C 0.124 175.835 175.800 -0.147 0.000 1.113 63 F CA -0.906 57.008 58.000 -0.144 0.000 1.059 63 F CB 1.548 40.473 39.000 -0.126 0.000 1.128 63 F HN 0.247 nan 8.300 nan 0.000 0.475 64 L N 5.363 126.495 121.223 -0.152 0.000 2.282 64 L HA 0.456 4.796 4.340 0.001 0.000 0.288 64 L C -0.868 175.757 176.870 -0.409 0.000 1.033 64 L CA -0.670 53.988 54.840 -0.304 0.000 0.807 64 L CB 1.191 42.984 42.059 -0.443 0.000 1.209 64 L HN 0.388 nan 8.230 nan 0.000 0.423 65 L N 4.069 125.048 121.223 -0.406 0.000 2.259 65 L HA 0.429 4.769 4.340 0.001 0.000 0.288 65 L C -0.466 176.126 176.870 -0.465 0.000 1.051 65 L CA -0.024 54.633 54.840 -0.307 0.000 0.824 65 L CB 0.185 42.138 42.059 -0.177 0.000 1.206 65 L HN 0.346 nan 8.230 nan 0.000 0.429 66 F N 3.402 123.218 119.950 -0.224 0.000 2.403 66 F HA 0.523 5.051 4.527 0.001 0.000 0.326 66 F C -1.833 173.761 175.800 -0.344 0.000 1.081 66 F CA -2.565 55.196 58.000 -0.398 0.000 1.041 66 F CB 0.416 39.112 39.000 -0.507 0.000 1.234 66 F HN 0.264 nan 8.300 nan 0.000 0.503 67 P HA 0.023 nan 4.420 nan 0.000 0.268 67 P C 0.556 177.929 177.300 0.120 0.000 1.204 67 P CA 0.061 63.077 63.100 -0.140 0.000 0.768 67 P CB 0.580 32.136 31.700 -0.240 0.000 0.842 68 E N 1.860 122.183 120.200 0.206 0.000 2.219 68 E HA -0.270 4.081 4.350 0.001 0.000 0.198 68 E C 0.831 177.565 176.600 0.224 0.000 0.998 68 E CA 1.378 57.931 56.400 0.254 0.000 0.818 68 E CB 0.142 29.895 29.700 0.087 0.000 0.741 68 E HN 0.448 nan 8.360 nan 0.000 0.477 69 E N -0.304 120.033 120.200 0.228 0.000 2.150 69 E HA -0.083 4.268 4.350 0.001 0.000 0.193 69 E C 0.062 176.883 176.600 0.368 0.000 0.985 69 E CA 0.237 56.780 56.400 0.238 0.000 0.814 69 E CB -0.105 29.722 29.700 0.212 0.000 0.752 69 E HN 0.114 nan 8.360 nan 0.000 0.466 70 F N 1.725 121.785 119.950 0.184 0.000 2.635 70 F HA -0.082 4.446 4.527 0.001 0.000 0.379 70 F C 1.384 177.296 175.800 0.186 0.000 1.094 70 F CA -0.473 57.614 58.000 0.143 0.000 1.300 70 F CB -0.054 38.989 39.000 0.072 0.000 1.035 70 F HN -0.135 nan 8.300 nan 0.000 0.581 71 S N 4.157 119.945 115.700 0.146 0.000 2.606 71 S HA 0.088 4.558 4.470 0.001 0.000 0.257 71 S C 1.380 176.067 174.600 0.145 0.000 1.327 71 S CA -0.371 57.890 58.200 0.101 0.000 0.984 71 S CB 0.818 64.012 63.200 -0.011 0.000 0.941 71 S HN 0.743 nan 8.310 nan 0.000 0.576 72 K N 0.532 121.005 120.400 0.121 0.000 2.148 72 K HA -0.168 4.153 4.320 0.001 0.000 0.204 72 K C 1.693 178.289 176.600 -0.007 0.000 1.050 72 K CA 2.045 58.393 56.287 0.102 0.000 0.942 72 K CB -0.614 31.943 32.500 0.095 0.000 0.724 72 K HN 0.725 nan 8.250 nan 0.000 0.446 73 E N 1.470 121.649 120.200 -0.034 0.000 2.107 73 E HA -0.123 4.228 4.350 0.001 0.000 0.191 73 E C 1.634 178.147 176.600 -0.144 0.000 0.982 73 E CA 1.551 57.905 56.400 -0.076 0.000 0.809 73 E CB 0.017 29.678 29.700 -0.066 0.000 0.756 73 E HN 0.513 nan 8.360 nan 0.000 0.459 74 E N 0.217 120.298 120.200 -0.199 0.000 2.107 74 E HA -0.104 4.246 4.350 0.001 0.000 0.191 74 E C 1.994 178.389 176.600 -0.341 0.000 0.982 74 E CA 0.506 56.704 56.400 -0.337 0.000 0.809 74 E CB -0.180 29.143 29.700 -0.628 0.000 0.756 74 E HN 0.220 nan 8.360 nan 0.000 0.459 75 L N 1.610 122.673 121.223 -0.266 0.000 2.042 75 L HA -0.223 4.117 4.340 0.001 0.000 0.210 75 L C 2.358 178.986 176.870 -0.403 0.000 1.076 75 L CA 1.784 56.369 54.840 -0.424 0.000 0.749 75 L CB -0.512 41.362 42.059 -0.308 0.000 0.893 75 L HN 0.125 nan 8.230 nan 0.000 0.432 76 R N -0.144 120.193 120.500 -0.273 0.000 2.075 76 R HA -0.192 4.149 4.340 0.001 0.000 0.230 76 R C 2.126 178.305 176.300 -0.203 0.000 1.140 76 R CA 1.915 57.876 56.100 -0.231 0.000 0.928 76 R CB -0.223 29.991 30.300 -0.145 0.000 0.834 76 R HN 0.459 nan 8.270 nan 0.000 0.429 77 E N -0.308 119.784 120.200 -0.181 0.000 2.086 77 E HA -0.252 4.099 4.350 0.001 0.000 0.200 77 E C 2.207 178.723 176.600 -0.139 0.000 1.012 77 E CA 1.337 57.650 56.400 -0.145 0.000 0.812 77 E CB -0.049 29.564 29.700 -0.146 0.000 0.743 77 E HN 0.279 nan 8.360 nan 0.000 0.453 78 R N -0.195 120.186 120.500 -0.199 0.000 2.062 78 R HA -0.029 4.312 4.340 0.001 0.000 0.226 78 R C 2.491 178.797 176.300 0.011 0.000 1.125 78 R CA 0.960 57.001 56.100 -0.098 0.000 0.966 78 R CB -1.000 29.208 30.300 -0.153 0.000 0.861 78 R HN 0.232 nan 8.270 nan 0.000 0.433 79 G N 2.650 111.402 108.800 -0.080 0.000 2.631 79 G HA2 -0.270 3.691 3.960 0.001 0.000 0.219 79 G HA3 -0.270 3.691 3.960 0.001 0.000 0.219 79 G C 1.343 176.225 174.900 -0.029 0.000 1.214 79 G CA 0.815 45.943 45.100 0.047 0.000 0.785 79 G HN 0.095 nan 8.290 nan 0.000 0.596 80 L N 0.914 122.078 121.223 -0.097 0.000 2.131 80 L HA 0.005 4.345 4.340 0.001 0.000 0.210 80 L C 2.665 179.453 176.870 -0.136 0.000 1.092 80 L CA 1.263 56.029 54.840 -0.123 0.000 0.759 80 L CB -1.478 40.516 42.059 -0.110 0.000 0.903 80 L HN 0.414 nan 8.230 nan 0.000 0.435 81 E N 0.104 120.250 120.200 -0.090 0.000 2.023 81 E HA -0.231 4.119 4.350 0.001 0.000 0.196 81 E C 2.296 178.848 176.600 -0.081 0.000 1.003 81 E CA 1.476 57.828 56.400 -0.079 0.000 0.809 81 E CB -0.161 29.517 29.700 -0.036 0.000 0.755 81 E HN 0.422 nan 8.360 nan 0.000 0.449 82 I N 0.810 121.360 120.570 -0.032 0.000 2.208 82 I HA -0.216 3.955 4.170 0.001 0.000 0.245 82 I C 2.591 178.649 176.117 -0.099 0.000 1.097 82 I CA 1.294 62.569 61.300 -0.042 0.000 1.363 82 I CB -0.673 37.326 38.000 -0.001 0.000 1.051 82 I HN 0.173 nan 8.210 nan 0.000 0.413 83 G N 0.982 109.714 108.800 -0.113 0.000 2.459 83 G HA2 -0.258 3.703 3.960 0.001 0.000 0.217 83 G HA3 -0.258 3.703 3.960 0.001 0.000 0.217 83 G C 1.714 176.481 174.900 -0.222 0.000 1.183 83 G CA 0.794 45.807 45.100 -0.146 0.000 0.776 83 G HN 0.309 nan 8.290 nan 0.000 0.552 84 K N 0.611 120.803 120.400 -0.347 0.000 2.113 84 K HA -0.016 4.305 4.320 0.001 0.000 0.208 84 K C 2.781 179.221 176.600 -0.266 0.000 1.047 84 K CA 1.114 57.070 56.287 -0.551 0.000 0.928 84 K CB -0.226 31.905 32.500 -0.616 0.000 0.716 84 K HN 0.289 nan 8.250 nan 0.000 0.446 85 A N 0.300 123.020 122.820 -0.167 0.000 2.119 85 A HA -0.042 4.278 4.320 0.001 0.000 0.217 85 A C 1.952 179.491 177.584 -0.075 0.000 1.153 85 A CA 1.013 52.993 52.037 -0.095 0.000 0.692 85 A CB 0.152 19.110 19.000 -0.071 0.000 0.799 85 A HN 0.124 nan 8.150 nan 0.000 0.458 86 V N -0.711 119.147 119.914 -0.093 0.000 3.556 86 V HA 0.301 4.421 4.120 0.001 0.000 0.287 86 V C 0.024 176.079 176.094 -0.066 0.000 1.422 86 V CA 0.218 62.467 62.300 -0.085 0.000 1.038 86 V CB 0.152 31.904 31.823 -0.119 0.000 0.850 86 V HN 0.404 nan 8.190 nan 0.000 0.437 87 L N -0.043 121.152 121.223 -0.045 0.000 2.329 87 L HA 0.495 4.836 4.340 0.001 0.000 0.279 87 L C 0.886 177.775 176.870 0.031 0.000 1.014 87 L CA -0.687 54.146 54.840 -0.011 0.000 0.814 87 L CB 1.655 43.717 42.059 0.004 0.000 1.257 87 L HN 0.011 nan 8.230 nan 0.000 0.424 88 D N 0.744 121.150 120.400 0.010 0.000 2.158 88 D HA -0.098 4.543 4.640 0.001 0.000 0.197 88 D C 0.612 176.932 176.300 0.034 0.000 0.995 88 D CA 1.336 55.344 54.000 0.014 0.000 0.846 88 D CB 0.198 40.993 40.800 -0.008 0.000 0.941 88 D HN 0.607 nan 8.370 nan 0.000 0.456 89 S N -1.818 113.908 115.700 0.044 0.000 2.578 89 S HA 0.550 5.020 4.470 0.001 0.000 0.272 89 S C -1.094 173.542 174.600 0.061 0.000 1.145 89 S CA -1.112 57.105 58.200 0.028 0.000 0.835 89 S CB 1.481 64.642 63.200 -0.064 0.000 1.104 89 S HN 0.255 nan 8.310 nan 0.000 0.458 90 Y N -0.815 119.445 120.300 -0.068 0.000 2.896 90 Y HA 0.899 5.450 4.550 0.001 0.000 0.317 90 Y C -1.002 174.871 175.900 -0.045 0.000 1.444 90 Y CA -0.944 57.110 58.100 -0.077 0.000 1.084 90 Y CB 0.998 39.422 38.460 -0.060 0.000 1.382 90 Y HN 0.975 nan 8.280 nan 0.000 0.471 91 E N 0.657 120.993 120.200 0.227 0.000 2.481 91 E HA 0.490 4.840 4.350 0.001 0.000 0.301 91 E C -2.265 174.436 176.600 0.169 0.000 0.948 91 E CA -0.480 55.998 56.400 0.131 0.000 0.804 91 E CB 1.929 31.699 29.700 0.117 0.000 1.265 91 E HN 0.702 nan 8.360 nan 0.000 0.406 92 I N 4.351 124.995 120.570 0.124 0.000 2.420 92 I HA 0.511 4.681 4.170 0.001 0.000 0.282 92 I C -0.596 175.522 176.117 0.002 0.000 1.019 92 I CA -0.629 60.712 61.300 0.067 0.000 1.130 92 I CB 1.029 39.101 38.000 0.120 0.000 1.262 92 I HN 0.184 nan 8.210 nan 0.000 0.454 93 R N 6.305 126.780 120.500 -0.041 0.000 2.522 93 R HA 0.541 4.882 4.340 0.001 0.000 0.283 93 R C -1.747 174.544 176.300 -0.015 0.000 1.074 93 R CA -0.856 55.192 56.100 -0.087 0.000 0.925 93 R CB 2.366 32.650 30.300 -0.026 0.000 1.205 93 R HN 0.638 nan 8.270 nan 0.000 0.436 94 Y N -1.999 118.272 120.300 -0.049 0.000 2.624 94 Y HA 0.622 5.173 4.550 0.001 0.000 0.334 94 Y C 0.076 176.037 175.900 0.101 0.000 1.155 94 Y CA -0.982 57.166 58.100 0.080 0.000 1.046 94 Y CB 1.028 39.553 38.460 0.109 0.000 1.316 94 Y HN 0.433 nan 8.280 nan 0.000 0.457 95 A N 0.171 123.171 122.820 0.301 0.000 1.943 95 A HA 0.089 4.410 4.320 0.001 0.000 0.213 95 A C 1.531 179.252 177.584 0.227 0.000 1.181 95 A CA 1.761 53.908 52.037 0.183 0.000 0.653 95 A CB -0.087 19.030 19.000 0.194 0.000 0.833 95 A HN 0.852 nan 8.150 nan 0.000 0.451 96 E N -2.121 118.307 120.200 0.381 0.000 3.566 96 E HA -0.001 4.350 4.350 0.001 0.000 0.241 96 E C -0.435 176.388 176.600 0.372 0.000 1.208 96 E CA -0.290 56.311 56.400 0.334 0.000 1.773 96 E CB -0.117 29.719 29.700 0.228 0.000 1.818 96 E HN 0.507 nan 8.360 nan 0.000 0.865 97 H N 4.139 123.343 119.070 0.224 0.000 2.723 97 H HA 0.292 4.848 4.556 0.001 0.000 0.294 97 H C -2.220 172.992 175.328 -0.193 0.000 1.079 97 H CA -1.609 54.471 56.048 0.054 0.000 1.411 97 H CB 1.102 30.887 29.762 0.039 0.000 1.439 97 H HN 0.052 nan 8.280 nan 0.000 0.474 98 P HA 0.080 nan 4.420 nan 0.000 0.271 98 P C -1.294 175.664 177.300 -0.570 0.000 1.216 98 P CA 0.303 62.543 63.100 -1.434 0.000 0.776 98 P CB 0.685 31.813 31.700 -0.953 0.000 0.881 99 Y N -0.003 119.942 120.300 -0.592 0.000 2.750 99 Y HA 0.624 5.174 4.550 0.001 0.000 0.335 99 Y C -1.991 173.859 175.900 -0.084 0.000 1.252 99 Y CA -1.489 56.469 58.100 -0.236 0.000 1.064 99 Y CB 0.790 39.181 38.460 -0.116 0.000 1.321 99 Y HN 0.287 nan 8.280 nan 0.000 0.451 100 V N 1.664 121.571 119.914 -0.011 0.000 2.588 100 V HA 0.547 4.667 4.120 0.001 0.000 0.304 100 V C -1.600 174.582 176.094 0.146 0.000 1.042 100 V CA -0.302 61.978 62.300 -0.034 0.000 0.877 100 V CB 1.317 33.094 31.823 -0.077 0.000 0.996 100 V HN 1.054 nan 8.190 nan 0.000 0.425 101 H N 4.672 123.769 119.070 0.045 0.000 2.463 101 H HA 0.894 5.450 4.556 0.001 0.000 0.332 101 H C 0.099 175.495 175.328 0.113 0.000 1.127 101 H CA 0.590 56.715 56.048 0.129 0.000 1.238 101 H CB 1.769 31.619 29.762 0.148 0.000 1.478 101 H HN 1.089 nan 8.280 nan 0.000 0.499 102 G N 1.753 110.278 108.800 -0.459 0.000 2.490 102 G HA2 0.447 4.408 3.960 0.001 0.000 0.308 102 G HA3 0.447 4.408 3.960 0.001 0.000 0.308 102 G C -1.894 172.836 174.900 -0.284 0.000 1.286 102 G CA -0.289 44.634 45.100 -0.296 0.000 0.825 102 G HN 0.649 nan 8.290 nan 0.000 0.479 103 V N -0.221 119.609 119.914 -0.140 0.000 2.686 103 V HA 0.648 4.768 4.120 0.001 0.000 0.306 103 V C -0.695 175.362 176.094 -0.062 0.000 1.065 103 V CA -0.575 61.664 62.300 -0.102 0.000 0.894 103 V CB 1.772 33.542 31.823 -0.088 0.000 1.004 103 V HN 0.669 nan 8.190 nan 0.000 0.424 104 V N 5.210 125.086 119.914 -0.063 0.000 2.540 104 V HA 0.485 4.605 4.120 0.001 0.000 0.302 104 V C 0.213 176.280 176.094 -0.045 0.000 1.035 104 V CA -1.122 61.148 62.300 -0.049 0.000 0.873 104 V CB 1.853 33.645 31.823 -0.053 0.000 0.992 104 V HN 0.922 nan 8.190 nan 0.000 0.428 105 K N 3.770 124.151 120.400 -0.031 0.000 3.540 105 K HA -0.268 4.052 4.320 0.001 0.000 0.274 105 K C 1.140 177.726 176.600 -0.024 0.000 0.890 105 K CA 0.736 57.009 56.287 -0.023 0.000 0.701 105 K CB -1.460 31.028 32.500 -0.020 0.000 1.523 105 K HN 1.581 nan 8.250 nan 0.000 0.450 106 G N -1.005 107.781 108.800 -0.024 0.000 2.175 106 G HA2 -0.333 3.627 3.960 0.001 0.000 0.265 106 G HA3 -0.333 3.627 3.960 0.001 0.000 0.265 106 G C 0.082 174.968 174.900 -0.023 0.000 0.979 106 G CA 0.413 45.502 45.100 -0.018 0.000 0.663 106 G HN 0.867 nan 8.290 nan 0.000 0.533 107 V N -1.263 118.624 119.914 -0.046 0.000 2.555 107 V HA 0.787 4.907 4.120 0.001 0.000 0.302 107 V C 0.085 176.135 176.094 -0.073 0.000 1.038 107 V CA -1.028 61.234 62.300 -0.064 0.000 0.887 107 V CB 1.862 33.621 31.823 -0.106 0.000 0.991 107 V HN 0.287 nan 8.190 nan 0.000 0.434 108 E N 3.376 123.549 120.200 -0.045 0.000 2.360 108 E HA 0.527 4.877 4.350 0.001 0.000 0.269 108 E C -0.932 175.658 176.600 -0.016 0.000 1.022 108 E CA -0.148 56.245 56.400 -0.012 0.000 0.887 108 E CB 1.643 31.418 29.700 0.126 0.000 0.990 108 E HN 0.713 nan 8.360 nan 0.000 0.426 109 V N 2.894 122.799 119.914 -0.015 0.000 2.789 109 V HA 0.280 4.401 4.120 0.001 0.000 0.311 109 V C -0.796 175.381 176.094 0.139 0.000 1.073 109 V CA -1.012 61.294 62.300 0.011 0.000 0.921 109 V CB 2.250 34.041 31.823 -0.053 0.000 1.009 109 V HN 0.590 nan 8.190 nan 0.000 0.426 110 D N 2.110 122.597 120.400 0.144 0.000 2.425 110 D HA 0.442 5.083 4.640 0.001 0.000 0.240 110 D C -0.676 175.674 176.300 0.084 0.000 1.080 110 D CA -0.006 54.115 54.000 0.201 0.000 0.836 110 D CB 2.053 42.961 40.800 0.181 0.000 1.125 110 D HN 0.494 nan 8.370 nan 0.000 0.525 111 V N 2.985 122.939 119.914 0.066 0.000 2.370 111 V HA 0.629 4.750 4.120 0.001 0.000 0.279 111 V C -0.971 175.096 176.094 -0.045 0.000 1.029 111 V CA -0.211 62.065 62.300 -0.039 0.000 0.870 111 V CB 1.274 33.040 31.823 -0.096 0.000 0.984 111 V HN 0.206 nan 8.190 nan 0.000 0.451 112 V N 8.712 128.497 119.914 -0.215 0.000 2.588 112 V HA 0.592 4.713 4.120 0.001 0.000 0.304 112 V C -2.414 173.412 176.094 -0.447 0.000 1.042 112 V CA -1.598 60.476 62.300 -0.376 0.000 0.877 112 V CB 2.154 33.484 31.823 -0.822 0.000 0.996 112 V HN 0.885 nan 8.190 nan 0.000 0.425 113 P HA 0.598 nan 4.420 nan 0.000 0.286 113 P C -0.861 176.392 177.300 -0.079 0.000 1.261 113 P CA -0.327 62.752 63.100 -0.035 0.000 0.821 113 P CB 1.630 33.414 31.700 0.141 0.000 1.013 114 C N 1.275 120.554 119.300 -0.035 0.000 3.314 114 C HA 0.623 5.083 4.460 0.001 0.000 0.344 114 C C -1.264 173.701 174.990 -0.043 0.000 1.461 114 C CA -0.955 58.066 59.018 0.005 0.000 1.249 114 C CB 0.261 28.073 27.740 0.121 0.000 1.632 114 C HN 0.475 nan 8.230 nan 0.000 0.452 115 Y N 1.143 121.538 120.300 0.159 0.000 2.308 115 Y HA 0.512 5.063 4.550 0.001 0.000 0.329 115 Y C 0.738 176.679 175.900 0.068 0.000 1.111 115 Y CA -0.033 58.137 58.100 0.116 0.000 1.179 115 Y CB 0.856 39.385 38.460 0.115 0.000 1.201 115 Y HN 0.727 nan 8.280 nan 0.000 0.483 116 K N 4.615 125.110 120.400 0.159 0.000 2.338 116 K HA 0.373 4.693 4.320 0.001 0.000 0.290 116 K C -1.434 175.237 176.600 0.119 0.000 1.069 116 K CA 0.075 56.402 56.287 0.067 0.000 0.941 116 K CB -0.134 32.361 32.500 -0.008 0.000 1.023 116 K HN 0.658 nan 8.250 nan 0.000 0.477 117 L N 4.514 125.830 121.223 0.155 0.000 2.319 117 L HA 0.409 4.750 4.340 0.001 0.000 0.267 117 L C 0.807 177.852 176.870 0.292 0.000 1.011 117 L CA -0.982 54.003 54.840 0.241 0.000 0.818 117 L CB 1.778 44.036 42.059 0.332 0.000 1.316 117 L HN 0.623 nan 8.230 nan 0.000 0.432 118 K N -0.617 119.911 120.400 0.213 0.000 2.166 118 K HA 0.197 4.517 4.320 0.001 0.000 0.201 118 K C 0.027 176.748 176.600 0.203 0.000 1.052 118 K CA 0.633 57.037 56.287 0.195 0.000 0.969 118 K CB 0.324 32.886 32.500 0.103 0.000 0.761 118 K HN 0.289 nan 8.250 nan 0.000 0.459 119 E N 0.918 121.176 120.200 0.096 0.000 2.234 119 E HA 0.189 4.540 4.350 0.001 0.000 0.266 119 E C -2.271 174.173 176.600 -0.259 0.000 0.877 119 E CA -2.344 53.992 56.400 -0.108 0.000 0.758 119 E CB 1.863 31.517 29.700 -0.077 0.000 1.170 119 E HN -0.058 nan 8.360 nan 0.000 0.415 120 P HA -0.011 nan 4.420 nan 0.000 0.245 120 P C -0.047 177.091 177.300 -0.270 0.000 1.212 120 P CA 0.248 62.999 63.100 -0.582 0.000 0.774 120 P CB 0.394 31.484 31.700 -1.017 0.000 0.999 121 K N 2.363 122.639 120.400 -0.207 0.000 2.383 121 K HA 0.089 4.410 4.320 0.001 0.000 0.286 121 K C 0.302 176.855 176.600 -0.078 0.000 1.051 121 K CA 0.017 56.234 56.287 -0.116 0.000 0.974 121 K CB -0.227 32.218 32.500 -0.090 0.000 0.968 121 K HN 0.125 nan 8.250 nan 0.000 0.475 122 N N 1.503 120.169 118.700 -0.058 0.000 4.097 122 N HA -0.242 4.498 4.740 0.001 0.000 0.320 122 N C -0.726 174.760 175.510 -0.040 0.000 2.129 122 N CA 0.834 53.859 53.050 -0.042 0.000 3.096 122 N CB -0.177 38.288 38.487 -0.036 0.000 0.264 122 N HN 0.594 nan 8.380 nan 0.000 0.848 123 I N 1.697 122.248 120.570 -0.032 0.000 2.586 123 I HA 0.104 4.275 4.170 0.001 0.000 0.288 123 I C 1.191 177.289 176.117 -0.033 0.000 1.147 123 I CA -0.586 60.706 61.300 -0.014 0.000 1.047 123 I CB 2.053 40.055 38.000 0.004 0.000 1.244 123 I HN 0.449 nan 8.210 nan 0.000 0.429 124 K N 2.489 122.828 120.400 -0.101 0.000 1.975 124 K HA -0.022 4.298 4.320 0.001 0.000 0.210 124 K C 1.189 177.825 176.600 0.059 0.000 1.041 124 K CA 1.115 57.281 56.287 -0.203 0.000 0.942 124 K CB 0.072 32.046 32.500 -0.876 0.000 0.729 124 K HN 0.740 nan 8.250 nan 0.000 0.439 125 S N -0.583 115.294 115.700 0.295 0.000 2.652 125 S HA 0.269 4.740 4.470 0.001 0.000 0.267 125 S C 0.915 175.612 174.600 0.162 0.000 1.201 125 S CA -0.096 58.327 58.200 0.372 0.000 0.996 125 S CB 1.501 65.022 63.200 0.534 0.000 1.054 125 S HN 0.248 nan 8.310 nan 0.000 0.561 126 A N -0.356 122.506 122.820 0.071 0.000 2.238 126 A HA 0.311 4.631 4.320 0.001 0.000 0.210 126 A C 1.568 179.078 177.584 -0.123 0.000 1.179 126 A CA 0.538 52.561 52.037 -0.024 0.000 0.827 126 A CB -0.700 18.305 19.000 0.008 0.000 0.856 126 A HN 1.498 nan 8.150 nan 0.000 0.488 127 V N -3.919 115.855 119.914 -0.234 0.000 3.427 127 V HA 0.183 4.304 4.120 0.001 0.000 0.305 127 V C 0.503 176.645 176.094 0.079 0.000 1.412 127 V CA 0.498 62.725 62.300 -0.122 0.000 1.086 127 V CB -0.165 31.513 31.823 -0.241 0.000 0.964 127 V HN 0.173 nan 8.190 nan 0.000 0.439 128 D N 1.623 122.078 120.400 0.091 0.000 2.384 128 D HA -0.058 4.583 4.640 0.001 0.000 0.222 128 D C 2.071 178.467 176.300 0.160 0.000 0.976 128 D CA 0.949 55.057 54.000 0.179 0.000 0.915 128 D CB 0.031 40.958 40.800 0.212 0.000 0.896 128 D HN 0.549 nan 8.370 nan 0.000 0.523 129 R N -0.578 119.901 120.500 -0.035 0.000 2.223 129 R HA 0.064 4.404 4.340 0.001 0.000 0.198 129 R C 1.970 177.928 176.300 -0.570 0.000 0.984 129 R CA 0.437 56.404 56.100 -0.222 0.000 1.018 129 R CB 0.086 30.097 30.300 -0.483 0.000 0.945 129 R HN 0.038 nan 8.270 nan 0.000 0.479 130 T N 2.009 116.275 114.554 -0.480 0.000 2.684 130 T HA -0.081 4.269 4.350 0.001 0.000 0.267 130 T C -1.099 173.331 174.700 -0.450 0.000 1.036 130 T CA 1.289 63.068 62.100 -0.536 0.000 1.148 130 T CB -0.819 67.677 68.868 -0.619 0.000 0.863 130 T HN 0.240 nan 8.240 nan 0.000 0.436 131 P HA 0.054 nan 4.420 nan 0.000 0.225 131 P C 1.027 178.191 177.300 -0.228 0.000 1.156 131 P CA 0.837 63.721 63.100 -0.361 0.000 0.787 131 P CB -0.301 31.172 31.700 -0.379 0.000 0.802 132 F N -0.334 119.555 119.950 -0.101 0.000 2.186 132 F HA -0.100 4.428 4.527 0.001 0.000 0.299 132 F C 2.673 178.547 175.800 0.124 0.000 1.090 132 F CA 1.222 59.221 58.000 -0.003 0.000 1.307 132 F CB -1.138 37.828 39.000 -0.056 0.000 1.019 132 F HN 0.062 nan 8.300 nan 0.000 0.489 133 H N -2.053 117.136 119.070 0.199 0.000 2.290 133 H HA -0.255 4.301 4.556 0.001 0.000 0.298 133 H C 2.127 177.645 175.328 0.315 0.000 1.087 133 H CA 1.684 57.834 56.048 0.170 0.000 1.291 133 H CB -0.289 29.345 29.762 -0.213 0.000 1.369 133 H HN 0.245 nan 8.280 nan 0.000 0.492 134 H N 1.053 120.277 119.070 0.257 0.000 2.290 134 H HA -0.118 4.438 4.556 0.001 0.000 0.298 134 H C 2.365 177.810 175.328 0.195 0.000 1.087 134 H CA 1.941 58.106 56.048 0.194 0.000 1.291 134 H CB 0.043 29.845 29.762 0.068 0.000 1.369 134 H HN 0.098 nan 8.280 nan 0.000 0.492 135 K N -0.720 119.808 120.400 0.213 0.000 2.113 135 K HA -0.230 4.090 4.320 0.001 0.000 0.208 135 K C 2.141 178.825 176.600 0.141 0.000 1.047 135 K CA 1.696 58.068 56.287 0.141 0.000 0.928 135 K CB -0.478 32.123 32.500 0.170 0.000 0.716 135 K HN 0.451 nan 8.250 nan 0.000 0.446 136 W N 0.627 121.996 121.300 0.116 0.000 2.388 136 W HA -0.170 4.490 4.660 0.001 0.000 0.294 136 W C 1.654 178.213 176.519 0.066 0.000 1.212 136 W CA 0.746 58.161 57.345 0.117 0.000 1.271 136 W CB -0.025 29.551 29.460 0.193 0.000 1.126 136 W HN 0.083 nan 8.180 nan 0.000 0.535 137 L N 0.424 121.810 121.223 0.272 0.000 2.202 137 L HA -0.013 4.327 4.340 0.001 0.000 0.205 137 L C 2.308 179.122 176.870 -0.093 0.000 1.083 137 L CA 1.765 56.691 54.840 0.143 0.000 0.790 137 L CB -1.423 40.796 42.059 0.267 0.000 0.942 137 L HN 0.027 nan 8.230 nan 0.000 0.452 138 E N -0.602 119.462 120.200 -0.227 0.000 2.149 138 E HA -0.306 4.044 4.350 0.001 0.000 0.215 138 E C 1.852 178.359 176.600 -0.156 0.000 1.055 138 E CA 1.710 57.940 56.400 -0.283 0.000 0.870 138 E CB -0.293 29.208 29.700 -0.331 0.000 0.764 138 E HN 0.569 nan 8.360 nan 0.000 0.463 139 G N -0.732 107.968 108.800 -0.167 0.000 2.603 139 G HA2 -0.108 3.853 3.960 0.001 0.000 0.214 139 G HA3 -0.108 3.853 3.960 0.001 0.000 0.214 139 G C 1.433 176.237 174.900 -0.161 0.000 1.140 139 G CA -0.017 44.994 45.100 -0.148 0.000 0.800 139 G HN 0.109 nan 8.290 nan 0.000 0.533 140 R N -0.822 119.548 120.500 -0.216 0.000 2.300 140 R HA 0.280 4.621 4.340 0.001 0.000 0.199 140 R C 1.394 177.636 176.300 -0.097 0.000 0.920 140 R CA -0.087 55.886 56.100 -0.211 0.000 1.046 140 R CB 0.138 30.193 30.300 -0.408 0.000 0.984 140 R HN 0.276 nan 8.270 nan 0.000 0.493 141 I N 0.760 121.294 120.570 -0.061 0.000 3.941 141 I HA 0.024 4.194 4.170 0.001 0.000 0.321 141 I C 0.081 176.191 176.117 -0.012 0.000 1.284 141 I CA 0.143 61.438 61.300 -0.008 0.000 1.226 141 I CB 0.201 38.217 38.000 0.026 0.000 1.045 141 I HN -0.172 nan 8.210 nan 0.000 0.420 142 K N 1.089 121.470 120.400 -0.032 0.000 2.466 142 K HA 0.210 4.531 4.320 0.001 0.000 0.278 142 K C 1.132 177.718 176.600 -0.024 0.000 1.048 142 K CA 0.971 57.241 56.287 -0.029 0.000 1.088 142 K CB -0.300 32.177 32.500 -0.038 0.000 0.884 142 K HN 0.430 nan 8.250 nan 0.000 0.478 143 G N 2.985 111.772 108.800 -0.022 0.000 2.176 143 G HA2 -0.247 3.713 3.960 0.001 0.000 0.253 143 G HA3 -0.247 3.713 3.960 0.001 0.000 0.253 143 G C 0.488 175.378 174.900 -0.016 0.000 0.979 143 G CA 0.053 45.139 45.100 -0.023 0.000 0.641 143 G HN 0.588 nan 8.290 nan 0.000 0.530 144 K N 0.459 120.855 120.400 -0.007 0.000 2.413 144 K HA 0.165 4.486 4.320 0.001 0.000 0.204 144 K C 1.723 178.326 176.600 0.007 0.000 1.041 144 K CA 0.474 56.766 56.287 0.008 0.000 1.082 144 K CB 0.470 32.986 32.500 0.026 0.000 0.871 144 K HN 0.568 nan 8.250 nan 0.000 0.535 145 E N 1.326 121.519 120.200 -0.012 0.000 2.130 145 E HA -0.195 4.155 4.350 0.001 0.000 0.196 145 E C 0.982 177.554 176.600 -0.047 0.000 0.998 145 E CA 1.073 57.459 56.400 -0.023 0.000 0.806 145 E CB -0.296 29.374 29.700 -0.049 0.000 0.738 145 E HN 0.213 nan 8.360 nan 0.000 0.459 146 N N 0.819 119.484 118.700 -0.058 0.000 2.331 146 N HA -0.084 4.657 4.740 0.001 0.000 0.180 146 N C 1.641 177.114 175.510 -0.063 0.000 1.019 146 N CA 0.623 53.624 53.050 -0.082 0.000 0.881 146 N CB -0.025 38.410 38.487 -0.087 0.000 0.972 146 N HN 0.207 nan 8.380 nan 0.000 0.435 147 E N 0.836 121.029 120.200 -0.012 0.000 2.051 147 E HA -0.069 4.281 4.350 0.001 0.000 0.192 147 E C 2.177 178.804 176.600 0.044 0.000 0.991 147 E CA 0.531 56.956 56.400 0.043 0.000 0.799 147 E CB -0.462 29.288 29.700 0.083 0.000 0.748 147 E HN 0.101 nan 8.360 nan 0.000 0.449 148 V N 1.630 121.566 119.914 0.036 0.000 2.287 148 V HA -0.274 3.846 4.120 0.001 0.000 0.248 148 V C 2.451 178.535 176.094 -0.017 0.000 1.053 148 V CA 2.004 64.330 62.300 0.043 0.000 1.027 148 V CB -0.533 31.324 31.823 0.056 0.000 0.646 148 V HN 0.196 nan 8.190 nan 0.000 0.447 149 R N -0.476 119.987 120.500 -0.062 0.000 2.096 149 R HA -0.099 4.241 4.340 0.001 0.000 0.235 149 R C 2.329 178.543 176.300 -0.144 0.000 1.127 149 R CA 1.358 57.393 56.100 -0.109 0.000 0.968 149 R CB -0.454 29.761 30.300 -0.141 0.000 0.861 149 R HN 0.431 nan 8.270 nan 0.000 0.440 150 L N 0.357 121.464 121.223 -0.194 0.000 2.017 150 L HA -0.217 4.124 4.340 0.001 0.000 0.208 150 L C 2.416 179.041 176.870 -0.409 0.000 1.073 150 L CA 0.891 55.512 54.840 -0.365 0.000 0.745 150 L CB -0.423 41.299 42.059 -0.561 0.000 0.894 150 L HN 0.212 nan 8.230 nan 0.000 0.432 151 L N -0.077 121.007 121.223 -0.231 0.000 2.093 151 L HA -0.182 4.159 4.340 0.001 0.000 0.208 151 L C 2.406 179.264 176.870 -0.020 0.000 1.085 151 L CA 1.777 56.630 54.840 0.020 0.000 0.755 151 L CB -0.535 41.657 42.059 0.221 0.000 0.904 151 L HN 0.075 nan 8.230 nan 0.000 0.435 152 K N -0.641 119.686 120.400 -0.122 0.000 2.148 152 K HA -0.050 4.270 4.320 0.001 0.000 0.204 152 K C 1.988 178.404 176.600 -0.306 0.000 1.050 152 K CA 1.024 57.099 56.287 -0.352 0.000 0.942 152 K CB -0.568 31.669 32.500 -0.437 0.000 0.724 152 K HN 0.551 nan 8.250 nan 0.000 0.446 153 G N 1.011 109.735 108.800 -0.126 0.000 2.414 153 G HA2 -0.269 3.691 3.960 0.001 0.000 0.215 153 G HA3 -0.269 3.691 3.960 0.001 0.000 0.215 153 G C 1.304 176.219 174.900 0.024 0.000 1.188 153 G CA 0.379 45.476 45.100 -0.004 0.000 0.783 153 G HN 0.208 nan 8.290 nan 0.000 0.537 154 F N 1.092 120.932 119.950 -0.183 0.000 2.147 154 F HA -0.109 4.419 4.527 0.001 0.000 0.301 154 F C 2.412 178.098 175.800 -0.190 0.000 1.084 154 F CA 1.379 59.135 58.000 -0.407 0.000 1.268 154 F CB -0.078 38.680 39.000 -0.402 0.000 1.009 154 F HN 0.060 nan 8.300 nan 0.000 0.486 155 L N -0.521 120.696 121.223 -0.011 0.000 2.049 155 L HA -0.155 4.185 4.340 0.001 0.000 0.203 155 L C 2.526 179.388 176.870 -0.015 0.000 1.074 155 L CA 1.350 56.169 54.840 -0.036 0.000 0.749 155 L CB -0.742 41.322 42.059 0.007 0.000 0.907 155 L HN -0.057 nan 8.230 nan 0.000 0.439 156 K N 0.255 120.646 120.400 -0.015 0.000 2.001 156 K HA -0.255 4.066 4.320 0.001 0.000 0.214 156 K C 2.132 178.724 176.600 -0.014 0.000 1.050 156 K CA 1.733 58.050 56.287 0.049 0.000 0.934 156 K CB -0.261 32.244 32.500 0.008 0.000 0.718 156 K HN 0.286 nan 8.250 nan 0.000 0.443 157 A N 1.501 124.278 122.820 -0.072 0.000 1.958 157 A HA -0.192 4.128 4.320 0.001 0.000 0.221 157 A C 1.538 179.025 177.584 -0.161 0.000 1.178 157 A CA 1.893 53.863 52.037 -0.113 0.000 0.642 157 A CB -0.503 18.418 19.000 -0.130 0.000 0.816 157 A HN 0.414 nan 8.150 nan 0.000 0.453 158 N N -0.635 117.943 118.700 -0.204 0.000 2.362 158 N HA 0.161 4.902 4.740 0.001 0.000 0.204 158 N C 1.033 176.496 175.510 -0.079 0.000 1.166 158 N CA 0.866 53.801 53.050 -0.192 0.000 0.831 158 N CB 0.226 38.537 38.487 -0.294 0.000 1.008 158 N HN 0.654 nan 8.380 nan 0.000 0.472 159 G N 1.699 110.476 108.800 -0.037 0.000 2.166 159 G HA2 -0.269 3.692 3.960 0.001 0.000 0.260 159 G HA3 -0.269 3.692 3.960 0.001 0.000 0.260 159 G C 0.580 175.511 174.900 0.051 0.000 0.986 159 G CA 0.616 45.721 45.100 0.007 0.000 0.683 159 G HN 0.558 nan 8.290 nan 0.000 0.527 160 I N -3.392 117.233 120.570 0.092 0.000 3.833 160 I HA 0.547 4.717 4.170 0.001 0.000 0.328 160 I C 0.213 176.488 176.117 0.263 0.000 1.554 160 I CA -1.130 60.270 61.300 0.167 0.000 1.116 160 I CB 0.248 38.380 38.000 0.221 0.000 1.182 160 I HN 0.020 nan 8.210 nan 0.000 0.459 161 Y N 2.789 123.136 120.300 0.078 0.000 2.320 161 Y HA 0.709 5.259 4.550 0.001 0.000 0.334 161 Y C 0.435 176.382 175.900 0.079 0.000 1.055 161 Y CA -0.047 58.110 58.100 0.095 0.000 1.143 161 Y CB 0.997 39.496 38.460 0.065 0.000 1.193 161 Y HN 0.414 nan 8.280 nan 0.000 0.477 162 G N 3.226 111.733 108.800 -0.487 0.000 2.885 162 G HA2 0.263 4.224 3.960 0.001 0.000 0.685 162 G HA3 0.263 4.224 3.960 0.001 0.000 0.685 162 G C -0.243 174.527 174.900 -0.217 0.000 1.216 162 G CA -0.326 44.520 45.100 -0.424 0.000 0.790 162 G HN 1.242 nan 8.290 nan 0.000 0.631 163 A N 1.233 123.925 122.820 -0.213 0.000 2.195 163 A HA 0.439 4.760 4.320 0.001 0.000 0.210 163 A C 1.286 178.730 177.584 -0.234 0.000 1.165 163 A CA 1.419 53.337 52.037 -0.198 0.000 0.806 163 A CB -0.220 18.671 19.000 -0.182 0.000 0.847 163 A HN 1.260 nan 8.150 nan 0.000 0.482 164 E N -0.296 119.785 120.200 -0.198 0.000 2.438 164 E HA -0.083 4.267 4.350 0.001 0.000 0.261 164 E C -0.135 176.360 176.600 -0.174 0.000 1.103 164 E CA -0.071 56.212 56.400 -0.195 0.000 0.959 164 E CB 0.119 29.764 29.700 -0.093 0.000 0.958 164 E HN 0.517 nan 8.360 nan 0.000 0.447 165 Y N 0.537 120.831 120.300 -0.010 0.000 2.465 165 Y HA -0.172 4.379 4.550 0.001 0.000 0.289 165 Y C 2.597 178.456 175.900 -0.068 0.000 1.150 165 Y CA 1.409 59.514 58.100 0.008 0.000 1.293 165 Y CB -0.093 38.417 38.460 0.084 0.000 0.977 165 Y HN 0.515 nan 8.280 nan 0.000 0.556 166 K N -0.189 120.163 120.400 -0.080 0.000 2.217 166 K HA -0.092 4.228 4.320 0.001 0.000 0.202 166 K C 1.468 177.943 176.600 -0.208 0.000 1.051 166 K CA 1.229 57.260 56.287 -0.427 0.000 0.952 166 K CB 0.117 32.290 32.500 -0.545 0.000 0.736 166 K HN 0.191 nan 8.250 nan 0.000 0.453 167 V N -0.284 119.567 119.914 -0.105 0.000 2.908 167 V HA 0.077 4.197 4.120 0.001 0.000 0.240 167 V C 0.385 176.463 176.094 -0.027 0.000 1.117 167 V CA 0.046 62.310 62.300 -0.060 0.000 1.133 167 V CB -0.260 31.529 31.823 -0.057 0.000 0.857 167 V HN 0.303 nan 8.190 nan 0.000 0.478 168 R N 0.673 121.149 120.500 -0.041 0.000 3.322 168 R HA -0.174 4.167 4.340 0.001 0.000 0.253 168 R C 0.508 176.770 176.300 -0.065 0.000 0.987 168 R CA 0.438 56.511 56.100 -0.045 0.000 0.666 168 R CB -1.600 28.716 30.300 0.026 0.000 1.072 168 R HN 0.666 nan 8.270 nan 0.000 0.447 169 G N -0.565 108.193 108.800 -0.069 0.000 3.211 169 G HA2 0.623 4.583 3.960 0.001 0.000 0.167 169 G HA3 0.623 4.583 3.960 0.001 0.000 0.167 169 G C -0.901 173.933 174.900 -0.110 0.000 1.212 169 G CA -0.822 44.272 45.100 -0.011 0.000 0.928 169 G HN 0.064 nan 8.290 nan 0.000 0.607 170 F N 1.654 121.573 119.950 -0.052 0.000 2.411 170 F HA 0.443 4.970 4.527 0.001 0.000 0.355 170 F C 1.296 177.055 175.800 -0.069 0.000 1.117 170 F CA -0.774 57.209 58.000 -0.028 0.000 1.139 170 F CB 1.510 40.512 39.000 0.003 0.000 1.120 170 F HN 0.338 nan 8.300 nan 0.000 0.493 171 S N 1.888 117.614 115.700 0.044 0.000 2.579 171 S HA 0.283 4.754 4.470 0.001 0.000 0.275 171 S C 1.409 176.101 174.600 0.153 0.000 1.345 171 S CA -0.312 57.878 58.200 -0.017 0.000 1.031 171 S CB 1.275 64.480 63.200 0.009 0.000 0.892 171 S HN 0.852 nan 8.310 nan 0.000 0.529 172 G N 1.171 110.064 108.800 0.154 0.000 2.491 172 G HA2 -0.276 3.684 3.960 0.001 0.000 0.218 172 G HA3 -0.276 3.684 3.960 0.001 0.000 0.218 172 G C 1.134 176.216 174.900 0.304 0.000 1.180 172 G CA 1.231 46.572 45.100 0.401 0.000 0.774 172 G HN 0.923 nan 8.290 nan 0.000 0.562 173 Y N 0.948 121.310 120.300 0.102 0.000 2.165 173 Y HA -0.071 4.480 4.550 0.001 0.000 0.286 173 Y C 2.518 178.438 175.900 0.034 0.000 1.155 173 Y CA 1.512 59.630 58.100 0.030 0.000 1.164 173 Y CB -0.335 38.062 38.460 -0.105 0.000 0.978 173 Y HN 0.142 nan 8.280 nan 0.000 0.513 174 L N -0.971 120.271 121.223 0.032 0.000 2.043 174 L HA -0.339 4.001 4.340 0.001 0.000 0.212 174 L C 2.437 179.350 176.870 0.073 0.000 1.075 174 L CA 1.993 56.828 54.840 -0.010 0.000 0.752 174 L CB -0.793 41.329 42.059 0.105 0.000 0.891 174 L HN 0.470 nan 8.230 nan 0.000 0.432 175 C N 0.024 119.429 119.300 0.175 0.000 2.413 175 C HA -0.204 4.256 4.460 0.001 0.000 0.277 175 C C 2.497 177.562 174.990 0.125 0.000 1.228 175 C CA 1.072 60.203 59.018 0.187 0.000 1.731 175 C CB -0.871 26.998 27.740 0.216 0.000 2.042 175 C HN 0.546 nan 8.230 nan 0.000 0.468 176 E N 0.458 120.701 120.200 0.072 0.000 2.085 176 E HA -0.194 4.157 4.350 0.001 0.000 0.194 176 E C 2.052 178.661 176.600 0.016 0.000 0.994 176 E CA 1.142 57.573 56.400 0.051 0.000 0.801 176 E CB -0.210 29.526 29.700 0.059 0.000 0.743 176 E HN 0.599 nan 8.360 nan 0.000 0.453 177 L N 0.293 121.431 121.223 -0.143 0.000 2.083 177 L HA -0.203 4.138 4.340 0.001 0.000 0.209 177 L C 2.356 179.275 176.870 0.083 0.000 1.083 177 L CA 0.825 55.594 54.840 -0.119 0.000 0.752 177 L CB -0.348 41.495 42.059 -0.359 0.000 0.899 177 L HN 0.205 nan 8.230 nan 0.000 0.433 178 L N -0.787 120.529 121.223 0.154 0.000 2.027 178 L HA -0.221 4.120 4.340 0.001 0.000 0.206 178 L C 2.566 179.663 176.870 0.379 0.000 1.074 178 L CA 0.848 55.900 54.840 0.352 0.000 0.745 178 L CB -0.401 41.935 42.059 0.460 0.000 0.898 178 L HN 0.192 nan 8.230 nan 0.000 0.433 179 I N -0.377 120.355 120.570 0.269 0.000 2.163 179 I HA -0.257 3.914 4.170 0.001 0.000 0.243 179 I C 2.597 178.830 176.117 0.194 0.000 1.085 179 I CA 1.421 62.855 61.300 0.224 0.000 1.347 179 I CB -0.998 37.099 38.000 0.162 0.000 1.044 179 I HN 0.055 nan 8.210 nan 0.000 0.408 180 V N 0.382 120.406 119.914 0.183 0.000 2.332 180 V HA -0.303 3.818 4.120 0.001 0.000 0.248 180 V C 2.367 178.567 176.094 0.177 0.000 1.055 180 V CA 1.822 64.226 62.300 0.173 0.000 1.038 180 V CB -0.811 31.154 31.823 0.237 0.000 0.651 180 V HN 0.267 nan 8.190 nan 0.000 0.450 181 F N -0.856 119.111 119.950 0.028 0.000 2.259 181 F HA -0.092 4.436 4.527 0.001 0.000 0.298 181 F C 1.884 177.563 175.800 -0.202 0.000 1.088 181 F CA 1.389 59.311 58.000 -0.131 0.000 1.358 181 F CB 0.016 38.847 39.000 -0.282 0.000 1.040 181 F HN 0.189 nan 8.300 nan 0.000 0.505 182 Y N -0.968 119.411 120.300 0.132 0.000 2.445 182 Y HA 0.366 4.917 4.550 0.001 0.000 0.247 182 Y C 1.859 177.761 175.900 0.004 0.000 1.129 182 Y CA 0.094 58.225 58.100 0.051 0.000 1.251 182 Y CB 0.564 39.125 38.460 0.168 0.000 1.176 182 Y HN 0.117 nan 8.280 nan 0.000 0.522 183 G N 0.234 109.117 108.800 0.139 0.000 2.527 183 G HA2 -0.255 3.705 3.960 0.001 0.000 0.218 183 G HA3 -0.255 3.705 3.960 0.001 0.000 0.218 183 G C 0.273 175.226 174.900 0.088 0.000 1.177 183 G CA 0.269 45.416 45.100 0.079 0.000 0.695 183 G HN 0.720 nan 8.290 nan 0.000 0.517 184 S N -1.211 114.554 115.700 0.109 0.000 2.567 184 S HA 0.606 5.076 4.470 0.001 0.000 0.270 184 S C 0.326 174.987 174.600 0.101 0.000 1.152 184 S CA 0.371 58.630 58.200 0.097 0.000 0.835 184 S CB 1.253 64.487 63.200 0.057 0.000 1.115 184 S HN 1.411 nan 8.310 nan 0.000 0.459 185 F N 1.510 121.450 119.950 -0.017 0.000 2.045 185 F HA -0.235 4.293 4.527 0.001 0.000 0.297 185 F C 1.991 177.707 175.800 -0.140 0.000 1.114 185 F CA 2.399 60.353 58.000 -0.076 0.000 1.207 185 F CB -0.316 38.629 39.000 -0.092 0.000 0.964 185 F HN 0.640 nan 8.300 nan 0.000 0.486 186 L N 0.986 122.009 121.223 -0.332 0.000 1.978 186 L HA -0.287 4.054 4.340 0.001 0.000 0.218 186 L C 2.328 178.965 176.870 -0.388 0.000 1.075 186 L CA 2.528 57.119 54.840 -0.415 0.000 0.767 186 L CB -1.004 40.981 42.059 -0.123 0.000 0.890 186 L HN 0.279 nan 8.230 nan 0.000 0.434 187 E N -1.185 118.885 120.200 -0.216 0.000 2.153 187 E HA -0.175 4.176 4.350 0.001 0.000 0.194 187 E C 2.013 178.421 176.600 -0.319 0.000 0.988 187 E CA 1.642 57.933 56.400 -0.181 0.000 0.811 187 E CB -0.253 29.429 29.700 -0.030 0.000 0.746 187 E HN 0.578 nan 8.360 nan 0.000 0.466 188 T N -0.687 113.682 114.554 -0.308 0.000 2.737 188 T HA -0.100 4.251 4.350 0.001 0.000 0.265 188 T C 1.862 176.189 174.700 -0.621 0.000 1.038 188 T CA 1.266 63.123 62.100 -0.406 0.000 1.144 188 T CB -0.264 68.575 68.868 -0.048 0.000 0.866 188 T HN 0.003 nan 8.240 nan 0.000 0.434 189 V N 1.211 120.688 119.914 -0.728 0.000 2.358 189 V HA -0.134 3.986 4.120 0.001 0.000 0.246 189 V C 2.448 178.147 176.094 -0.659 0.000 1.047 189 V CA 1.567 63.368 62.300 -0.831 0.000 1.035 189 V CB -0.431 30.717 31.823 -1.124 0.000 0.658 189 V HN 0.412 nan 8.190 nan 0.000 0.452 190 K N -0.006 120.084 120.400 -0.517 0.000 2.147 190 K HA -0.140 4.180 4.320 0.001 0.000 0.205 190 K C 1.985 178.354 176.600 -0.386 0.000 1.049 190 K CA 1.477 57.539 56.287 -0.374 0.000 0.936 190 K CB -0.145 32.195 32.500 -0.266 0.000 0.722 190 K HN 0.491 nan 8.250 nan 0.000 0.446 191 N N 0.060 118.453 118.700 -0.512 0.000 2.278 191 N HA -0.024 4.717 4.740 0.001 0.000 0.181 191 N C 1.798 176.900 175.510 -0.680 0.000 1.023 191 N CA 0.867 53.632 53.050 -0.475 0.000 0.862 191 N CB -0.064 38.070 38.487 -0.587 0.000 1.003 191 N HN 0.084 nan 8.380 nan 0.000 0.431 192 A N 2.471 124.617 122.820 -1.123 0.000 1.954 192 A HA -0.245 4.075 4.320 0.001 0.000 0.222 192 A C 2.125 179.039 177.584 -1.116 0.000 1.199 192 A CA 1.580 52.485 52.037 -1.887 0.000 0.657 192 A CB -0.755 17.306 19.000 -1.564 0.000 0.823 192 A HN 0.318 nan 8.150 nan 0.000 0.463 193 R N -0.576 119.514 120.500 -0.682 0.000 2.170 193 R HA -0.170 4.171 4.340 0.001 0.000 0.242 193 R C 1.379 177.565 176.300 -0.189 0.000 1.145 193 R CA 1.598 57.468 56.100 -0.384 0.000 0.984 193 R CB -0.281 29.838 30.300 -0.302 0.000 0.869 193 R HN 0.756 nan 8.270 nan 0.000 0.455 194 R N -0.799 119.621 120.500 -0.133 0.000 2.586 194 R HA 0.110 4.451 4.340 0.001 0.000 0.336 194 R C -0.802 175.654 176.300 0.260 0.000 1.060 194 R CA -0.453 55.680 56.100 0.055 0.000 1.079 194 R CB 0.182 30.516 30.300 0.057 0.000 1.317 194 R HN -0.012 nan 8.270 nan 0.000 0.568 195 W N 3.672 125.047 121.300 0.125 0.000 2.469 195 W HA 0.076 4.736 4.660 0.001 0.000 0.321 195 W C 1.079 177.704 176.519 0.178 0.000 1.415 195 W CA -0.613 56.863 57.345 0.218 0.000 1.308 195 W CB 0.290 29.934 29.460 0.308 0.000 1.368 195 W HN 0.102 nan 8.180 nan 0.000 0.546 196 T N 0.377 115.158 114.554 0.379 0.000 2.770 196 T HA 0.255 4.606 4.350 0.001 0.000 0.281 196 T C 1.364 176.235 174.700 0.284 0.000 0.981 196 T CA -0.638 61.619 62.100 0.262 0.000 0.955 196 T CB 0.898 69.877 68.868 0.185 0.000 1.060 196 T HN 0.543 nan 8.240 nan 0.000 0.531 197 R N -0.108 120.513 120.500 0.202 0.000 2.339 197 R HA 0.128 4.468 4.340 0.001 0.000 0.199 197 R C 1.341 177.777 176.300 0.226 0.000 1.018 197 R CA 0.490 56.706 56.100 0.193 0.000 1.036 197 R CB -0.194 30.179 30.300 0.121 0.000 0.899 197 R HN 0.589 nan 8.270 nan 0.000 0.473 198 R N 0.199 120.821 120.500 0.203 0.000 2.535 198 R HA 0.138 4.478 4.340 0.001 0.000 0.323 198 R C -0.448 175.907 176.300 0.092 0.000 0.979 198 R CA -0.123 56.059 56.100 0.137 0.000 1.120 198 R CB 1.219 31.575 30.300 0.093 0.000 1.306 198 R HN 0.053 nan 8.270 nan 0.000 0.540 199 T N 1.774 116.414 114.554 0.143 0.000 2.792 199 T HA 0.039 4.390 4.350 0.001 0.000 0.286 199 T C 0.118 174.651 174.700 -0.278 0.000 0.970 199 T CA 0.435 62.534 62.100 -0.002 0.000 1.187 199 T CB 1.043 69.951 68.868 0.067 0.000 0.915 199 T HN -0.167 nan 8.240 nan 0.000 0.529 200 V N 6.209 125.986 119.914 -0.229 0.000 2.350 200 V HA 0.361 4.482 4.120 0.001 0.000 0.276 200 V C 0.296 176.187 176.094 -0.338 0.000 1.028 200 V CA -0.623 61.497 62.300 -0.299 0.000 0.860 200 V CB 1.076 32.760 31.823 -0.230 0.000 0.990 200 V HN 0.773 nan 8.190 nan 0.000 0.453 201 I N 4.339 124.622 120.570 -0.479 0.000 2.347 201 I HA 0.286 4.456 4.170 0.001 0.000 0.283 201 I C -0.194 175.577 176.117 -0.576 0.000 1.058 201 I CA -0.241 60.693 61.300 -0.610 0.000 1.202 201 I CB 1.089 38.623 38.000 -0.776 0.000 1.386 201 I HN 0.481 nan 8.210 nan 0.000 0.475 202 D N 6.386 126.527 120.400 -0.432 0.000 2.494 202 D HA 0.138 4.779 4.640 0.001 0.000 0.217 202 D C 1.097 177.260 176.300 -0.228 0.000 1.153 202 D CA -0.196 53.639 54.000 -0.274 0.000 0.954 202 D CB 1.143 41.848 40.800 -0.158 0.000 1.034 202 D HN 0.246 nan 8.370 nan 0.000 0.518 203 V N 3.859 123.595 119.914 -0.297 0.000 2.231 203 V HA -0.300 3.821 4.120 0.001 0.000 0.248 203 V C 2.635 178.808 176.094 0.130 0.000 1.054 203 V CA 2.125 64.377 62.300 -0.079 0.000 1.015 203 V CB -1.131 30.600 31.823 -0.153 0.000 0.638 203 V HN 0.600 nan 8.190 nan 0.000 0.444 204 A N -0.213 122.618 122.820 0.018 0.000 1.903 204 A HA -0.301 4.020 4.320 0.001 0.000 0.219 204 A C 2.264 179.936 177.584 0.147 0.000 1.191 204 A CA 2.410 54.530 52.037 0.139 0.000 0.638 204 A CB -0.556 18.465 19.000 0.034 0.000 0.823 204 A HN 0.579 nan 8.150 nan 0.000 0.451 205 K N -1.561 118.888 120.400 0.083 0.000 2.459 205 K HA 0.160 4.481 4.320 0.001 0.000 0.193 205 K C 1.019 177.694 176.600 0.124 0.000 1.030 205 K CA 0.489 56.823 56.287 0.079 0.000 1.026 205 K CB -0.203 32.314 32.500 0.028 0.000 0.809 205 K HN 0.731 nan 8.250 nan 0.000 0.504 206 G N 2.575 111.512 108.800 0.228 0.000 2.249 206 G HA2 -0.304 3.657 3.960 0.001 0.000 0.273 206 G HA3 -0.304 3.657 3.960 0.001 0.000 0.273 206 G C -0.292 174.797 174.900 0.315 0.000 1.036 206 G CA 0.524 45.805 45.100 0.303 0.000 0.824 206 G HN 0.449 nan 8.290 nan 0.000 0.504 207 E N -0.898 119.494 120.200 0.320 0.000 2.227 207 E HA 0.626 4.977 4.350 0.001 0.000 0.268 207 E C -0.332 176.382 176.600 0.190 0.000 0.907 207 E CA -0.899 55.616 56.400 0.191 0.000 0.786 207 E CB 2.008 31.746 29.700 0.063 0.000 1.191 207 E HN 0.169 nan 8.360 nan 0.000 0.411 208 V N 3.535 123.554 119.914 0.174 0.000 2.495 208 V HA 0.601 4.721 4.120 0.001 0.000 0.298 208 V C -0.140 175.981 176.094 0.045 0.000 1.031 208 V CA -0.767 61.594 62.300 0.102 0.000 0.871 208 V CB 1.579 33.537 31.823 0.225 0.000 0.988 208 V HN 0.674 nan 8.190 nan 0.000 0.432 209 R N 2.155 122.644 120.500 -0.017 0.000 2.836 209 R HA 0.577 4.917 4.340 0.001 0.000 0.269 209 R C -0.993 175.289 176.300 -0.029 0.000 1.010 209 R CA -0.920 55.161 56.100 -0.031 0.000 0.930 209 R CB 2.218 32.469 30.300 -0.081 0.000 1.218 209 R HN 0.616 nan 8.270 nan 0.000 0.473 210 K N 0.709 121.098 120.400 -0.018 0.000 2.240 210 K HA 0.403 4.723 4.320 0.001 0.000 0.271 210 K C -0.472 176.106 176.600 -0.036 0.000 1.018 210 K CA -0.361 55.920 56.287 -0.009 0.000 0.874 210 K CB 1.933 34.443 32.500 0.017 0.000 1.098 210 K HN 0.758 nan 8.250 nan 0.000 0.458 211 G N 1.106 109.882 108.800 -0.040 0.000 3.175 211 G HA2 0.111 4.071 3.960 0.001 0.000 0.255 211 G HA3 0.111 4.071 3.960 0.001 0.000 0.255 211 G C 0.307 175.203 174.900 -0.006 0.000 1.352 211 G CA -0.343 44.724 45.100 -0.055 0.000 1.037 211 G HN 0.418 nan 8.290 nan 0.000 0.556 212 E N 0.026 120.226 120.200 -0.000 0.000 2.150 212 E HA -0.000 4.350 4.350 0.001 0.000 0.193 212 E C 0.869 177.510 176.600 0.068 0.000 0.985 212 E CA 1.222 57.642 56.400 0.033 0.000 0.814 212 E CB 0.069 29.790 29.700 0.034 0.000 0.752 212 E HN 0.733 nan 8.360 nan 0.000 0.466 213 E N -1.524 118.733 120.200 0.095 0.000 2.454 213 E HA 0.239 4.589 4.350 0.001 0.000 0.279 213 E C -0.885 175.816 176.600 0.169 0.000 1.029 213 E CA -0.925 55.559 56.400 0.139 0.000 0.831 213 E CB 0.533 30.322 29.700 0.148 0.000 1.405 213 E HN -0.155 nan 8.360 nan 0.000 0.463 214 F N 1.419 121.389 119.950 0.034 0.000 2.572 214 F HA 0.402 4.929 4.527 0.001 0.000 0.370 214 F C -0.807 175.011 175.800 0.029 0.000 1.103 214 F CA 0.571 58.564 58.000 -0.012 0.000 1.286 214 F CB 0.295 39.259 39.000 -0.061 0.000 1.105 214 F HN 0.444 nan 8.300 nan 0.000 0.583 215 F N 5.723 125.247 119.950 -0.711 0.000 2.767 215 F HA 0.392 4.919 4.527 0.001 0.000 0.341 215 F C -1.821 173.605 175.800 -0.623 0.000 1.192 215 F CA -0.947 56.772 58.000 -0.470 0.000 1.127 215 F CB 0.914 39.745 39.000 -0.281 0.000 1.388 215 F HN 0.125 nan 8.300 nan 0.000 0.574 216 V N 6.516 126.227 119.914 -0.337 0.000 2.350 216 V HA 0.304 4.424 4.120 0.001 0.000 0.276 216 V C -0.244 175.815 176.094 -0.059 0.000 1.028 216 V CA -0.744 61.385 62.300 -0.285 0.000 0.860 216 V CB 1.318 32.940 31.823 -0.334 0.000 0.990 216 V HN 0.485 nan 8.190 nan 0.000 0.453 217 V N 4.391 124.309 119.914 0.006 0.000 2.439 217 V HA 0.105 4.225 4.120 0.001 0.000 0.271 217 V C 0.593 176.637 176.094 -0.084 0.000 1.040 217 V CA -0.282 62.062 62.300 0.073 0.000 1.002 217 V CB 1.020 32.819 31.823 -0.040 0.000 1.000 217 V HN 0.852 nan 8.190 nan 0.000 0.477 218 D N 7.713 128.089 120.400 -0.039 0.000 2.451 218 D HA 0.066 4.706 4.640 0.001 0.000 0.254 218 D C -1.389 174.805 176.300 -0.176 0.000 1.204 218 D CA -1.580 52.376 54.000 -0.072 0.000 0.896 218 D CB 1.794 42.612 40.800 0.029 0.000 1.136 218 D HN 0.252 nan 8.370 nan 0.000 0.499 219 P HA -0.151 nan 4.420 nan 0.000 0.216 219 P C 1.517 178.598 177.300 -0.365 0.000 1.150 219 P CA 0.468 63.210 63.100 -0.596 0.000 0.837 219 P CB 0.354 31.045 31.700 -1.682 0.000 0.786 220 V N -0.973 118.789 119.914 -0.254 0.000 2.667 220 V HA -0.077 4.043 4.120 0.001 0.000 0.252 220 V C 0.690 176.707 176.094 -0.129 0.000 1.065 220 V CA 1.494 63.732 62.300 -0.104 0.000 1.083 220 V CB -0.692 31.167 31.823 0.060 0.000 0.692 220 V HN 0.183 nan 8.190 nan 0.000 0.468 221 D N -1.435 118.911 120.400 -0.090 0.000 2.738 221 D HA 0.118 4.758 4.640 0.001 0.000 0.218 221 D C 0.761 177.039 176.300 -0.037 0.000 1.345 221 D CA -0.226 53.728 54.000 -0.078 0.000 0.943 221 D CB 1.367 42.123 40.800 -0.073 0.000 1.514 221 D HN 0.379 nan 8.370 nan 0.000 0.585 222 E N 2.871 123.047 120.200 -0.039 0.000 2.152 222 E HA -0.087 4.263 4.350 0.001 0.000 0.192 222 E C 0.991 177.609 176.600 0.030 0.000 0.983 222 E CA 0.441 56.826 56.400 -0.024 0.000 0.818 222 E CB 0.098 29.768 29.700 -0.051 0.000 0.758 222 E HN 0.227 nan 8.360 nan 0.000 0.467 223 K N 0.683 121.103 120.400 0.033 0.000 2.280 223 K HA -0.018 4.302 4.320 0.001 0.000 0.202 223 K C 0.961 177.676 176.600 0.191 0.000 1.047 223 K CA 0.351 56.691 56.287 0.088 0.000 0.942 223 K CB -0.171 32.353 32.500 0.039 0.000 0.739 223 K HN 0.028 nan 8.250 nan 0.000 0.457 224 R N 2.780 123.350 120.500 0.116 0.000 2.267 224 R HA 0.051 4.392 4.340 0.001 0.000 0.319 224 R C -0.544 175.715 176.300 -0.068 0.000 1.067 224 R CA -0.136 55.983 56.100 0.031 0.000 0.936 224 R CB 0.135 30.439 30.300 0.007 0.000 1.006 224 R HN -0.020 nan 8.270 nan 0.000 0.452 225 N N 3.573 122.013 118.700 -0.433 0.000 2.437 225 N HA 0.021 4.762 4.740 0.001 0.000 0.243 225 N C 0.903 176.143 175.510 -0.450 0.000 1.041 225 N CA -0.184 52.293 53.050 -0.954 0.000 0.940 225 N CB 1.111 38.603 38.487 -1.658 0.000 1.133 225 N HN 0.291 nan 8.380 nan 0.000 0.506 226 V N 2.531 122.266 119.914 -0.298 0.000 2.594 226 V HA -0.103 4.018 4.120 0.001 0.000 0.253 226 V C 1.534 177.523 176.094 -0.175 0.000 1.069 226 V CA 1.896 64.106 62.300 -0.150 0.000 1.082 226 V CB -0.895 30.886 31.823 -0.071 0.000 0.680 226 V HN 0.768 nan 8.190 nan 0.000 0.469 227 A N -0.508 122.166 122.820 -0.244 0.000 2.842 227 A HA 0.694 5.015 4.320 0.001 0.000 0.298 227 A C 1.866 179.326 177.584 -0.207 0.000 1.293 227 A CA 0.511 52.430 52.037 -0.197 0.000 0.959 227 A CB -0.231 18.724 19.000 -0.074 0.000 1.119 227 A HN 0.396 nan 8.150 nan 0.000 0.564 228 A N 0.519 123.190 122.820 -0.248 0.000 1.972 228 A HA -0.160 4.160 4.320 0.001 0.000 0.219 228 A C 1.702 179.202 177.584 -0.140 0.000 1.169 228 A CA 1.863 53.767 52.037 -0.222 0.000 0.635 228 A CB -0.269 18.602 19.000 -0.216 0.000 0.810 228 A HN 0.517 nan 8.150 nan 0.000 0.446 229 N N -0.562 118.045 118.700 -0.154 0.000 2.214 229 N HA 0.115 4.856 4.740 0.001 0.000 0.214 229 N C -0.203 175.225 175.510 -0.136 0.000 1.132 229 N CA -0.197 52.773 53.050 -0.133 0.000 0.856 229 N CB -0.083 38.271 38.487 -0.222 0.000 1.020 229 N HN 0.358 nan 8.380 nan 0.000 0.509 230 L N 2.286 123.401 121.223 -0.180 0.000 2.407 230 L HA 0.192 4.532 4.340 0.001 0.000 0.282 230 L C 0.105 176.889 176.870 -0.143 0.000 1.110 230 L CA -0.028 54.668 54.840 -0.240 0.000 0.863 230 L CB 0.005 41.809 42.059 -0.425 0.000 1.207 230 L HN 0.219 nan 8.230 nan 0.000 0.454 231 S N 4.151 119.801 115.700 -0.082 0.000 2.558 231 S HA -0.062 4.408 4.470 0.001 0.000 0.288 231 S C 1.111 175.687 174.600 -0.039 0.000 1.318 231 S CA -0.525 57.658 58.200 -0.029 0.000 1.056 231 S CB 1.095 64.298 63.200 0.005 0.000 0.853 231 S HN 0.691 nan 8.310 nan 0.000 0.505 232 L N 2.000 123.213 121.223 -0.017 0.000 2.081 232 L HA -0.107 4.233 4.340 0.001 0.000 0.212 232 L C 1.728 178.599 176.870 0.003 0.000 1.080 232 L CA 2.112 56.944 54.840 -0.012 0.000 0.754 232 L CB -0.983 41.084 42.059 0.014 0.000 0.893 232 L HN 0.773 nan 8.230 nan 0.000 0.433 233 D N -0.402 120.004 120.400 0.011 0.000 2.144 233 D HA -0.172 4.468 4.640 0.001 0.000 0.199 233 D C 1.915 178.244 176.300 0.048 0.000 0.984 233 D CA 1.637 55.649 54.000 0.021 0.000 0.834 233 D CB -0.315 40.489 40.800 0.007 0.000 0.955 233 D HN 0.592 nan 8.370 nan 0.000 0.465 234 N N -0.028 118.702 118.700 0.051 0.000 2.396 234 N HA -0.080 4.661 4.740 0.001 0.000 0.180 234 N C 1.740 177.376 175.510 0.209 0.000 1.028 234 N CA -0.068 53.053 53.050 0.118 0.000 0.893 234 N CB 0.140 38.684 38.487 0.096 0.000 0.967 234 N HN 0.015 nan 8.380 nan 0.000 0.440 235 L N 1.329 122.609 121.223 0.095 0.000 2.027 235 L HA -0.038 4.303 4.340 0.001 0.000 0.206 235 L C 2.191 179.196 176.870 0.224 0.000 1.074 235 L CA 1.433 56.343 54.840 0.116 0.000 0.745 235 L CB -0.736 41.223 42.059 -0.168 0.000 0.898 235 L HN 0.041 nan 8.230 nan 0.000 0.433 236 A N -0.218 122.682 122.820 0.133 0.000 1.858 236 A HA -0.243 4.078 4.320 0.001 0.000 0.216 236 A C 2.408 180.088 177.584 0.161 0.000 1.190 236 A CA 1.948 54.059 52.037 0.124 0.000 0.617 236 A CB -0.647 18.394 19.000 0.068 0.000 0.827 236 A HN 0.504 nan 8.150 nan 0.000 0.443 237 R N -1.968 118.628 120.500 0.160 0.000 2.119 237 R HA -0.195 4.146 4.340 0.001 0.000 0.246 237 R C 2.001 178.454 176.300 0.256 0.000 1.146 237 R CA 1.823 58.030 56.100 0.178 0.000 0.962 237 R CB -0.570 29.816 30.300 0.144 0.000 0.863 237 R HN 0.593 nan 8.270 nan 0.000 0.442 238 F N 1.161 121.207 119.950 0.161 0.000 2.102 238 F HA -0.190 4.338 4.527 0.001 0.000 0.298 238 F C 2.194 178.047 175.800 0.088 0.000 1.105 238 F CA 1.559 59.641 58.000 0.137 0.000 1.239 238 F CB -0.615 38.515 39.000 0.218 0.000 0.991 238 F HN -0.127 nan 8.300 nan 0.000 0.474 239 V N -0.933 118.964 119.914 -0.028 0.000 2.515 239 V HA -0.245 3.875 4.120 0.001 0.000 0.250 239 V C 2.527 178.540 176.094 -0.136 0.000 1.058 239 V CA 2.409 64.573 62.300 -0.227 0.000 1.064 239 V CB -1.199 30.601 31.823 -0.039 0.000 0.675 239 V HN 0.585 nan 8.190 nan 0.000 0.461 240 H N -0.397 118.633 119.070 -0.067 0.000 2.326 240 H HA -0.069 4.488 4.556 0.001 0.000 0.301 240 H C 2.297 177.620 175.328 -0.008 0.000 1.081 240 H CA 2.092 58.123 56.048 -0.027 0.000 1.334 240 H CB 0.095 29.865 29.762 0.013 0.000 1.385 240 H HN 0.385 nan 8.280 nan 0.000 0.504 241 L N 0.895 122.140 121.223 0.036 0.000 2.051 241 L HA -0.250 4.091 4.340 0.001 0.000 0.214 241 L C 3.037 179.936 176.870 0.048 0.000 1.076 241 L CA 1.293 56.195 54.840 0.102 0.000 0.758 241 L CB -1.505 40.629 42.059 0.125 0.000 0.890 241 L HN 0.455 nan 8.230 nan 0.000 0.433 242 C N -1.168 117.984 119.300 -0.247 0.000 2.453 242 C HA -0.135 4.325 4.460 0.001 0.000 0.277 242 C C 2.780 177.615 174.990 -0.257 0.000 1.262 242 C CA 0.316 59.105 59.018 -0.382 0.000 1.718 242 C CB -0.847 26.454 27.740 -0.731 0.000 2.031 242 C HN 0.473 nan 8.230 nan 0.000 0.480 243 R N 0.716 121.060 120.500 -0.261 0.000 2.105 243 R HA -0.147 4.193 4.340 0.001 0.000 0.239 243 R C 2.115 178.304 176.300 -0.184 0.000 1.135 243 R CA 1.393 57.362 56.100 -0.217 0.000 0.967 243 R CB -0.293 29.885 30.300 -0.203 0.000 0.861 243 R HN 0.663 nan 8.270 nan 0.000 0.442 244 E N -0.394 119.699 120.200 -0.178 0.000 2.107 244 E HA -0.159 4.191 4.350 0.001 0.000 0.191 244 E C 1.617 178.219 176.600 0.003 0.000 0.982 244 E CA 0.716 57.085 56.400 -0.051 0.000 0.809 244 E CB -0.057 29.659 29.700 0.027 0.000 0.756 244 E HN 0.212 nan 8.360 nan 0.000 0.459 245 F N 1.014 120.757 119.950 -0.345 0.000 2.171 245 F HA -0.180 4.348 4.527 0.001 0.000 0.300 245 F C 2.031 177.586 175.800 -0.408 0.000 1.090 245 F CA 1.263 58.796 58.000 -0.778 0.000 1.293 245 F CB 0.111 38.604 39.000 -0.845 0.000 1.013 245 F HN -0.036 nan 8.300 nan 0.000 0.486 246 M N -0.595 118.853 119.600 -0.253 0.000 2.541 246 M HA -0.025 4.455 4.480 0.001 0.000 0.252 246 M C 1.706 177.871 176.300 -0.225 0.000 1.125 246 M CA 0.810 55.953 55.300 -0.262 0.000 1.091 246 M CB -0.608 31.885 32.600 -0.178 0.000 1.420 246 M HN 0.257 nan 8.290 nan 0.000 0.486 247 E N 1.074 121.165 120.200 -0.181 0.000 2.033 247 E HA 0.069 4.420 4.350 0.001 0.000 0.189 247 E C 0.396 176.915 176.600 -0.135 0.000 0.979 247 E CA 0.633 56.957 56.400 -0.127 0.000 0.802 247 E CB 0.281 29.933 29.700 -0.081 0.000 0.763 247 E HN 0.323 nan 8.360 nan 0.000 0.449 248 A N 2.115 124.855 122.820 -0.134 0.000 2.646 248 A HA 0.402 4.723 4.320 0.001 0.000 0.312 248 A C -2.653 174.810 177.584 -0.202 0.000 1.245 248 A CA -1.501 50.470 52.037 -0.110 0.000 0.755 248 A CB 0.549 19.548 19.000 -0.002 0.000 1.132 248 A HN -0.097 nan 8.150 nan 0.000 0.458 249 P HA 0.350 nan 4.420 nan 0.000 0.269 249 P C -0.049 177.142 177.300 -0.182 0.000 1.215 249 P CA 0.224 62.886 63.100 -0.730 0.000 0.780 249 P CB 1.076 32.377 31.700 -0.666 0.000 0.898 250 S N 1.505 117.243 115.700 0.063 0.000 2.578 250 S HA 0.176 4.646 4.470 0.001 0.000 0.285 250 S C 0.019 174.950 174.600 0.551 0.000 1.126 250 S CA -0.582 57.819 58.200 0.335 0.000 0.878 250 S CB 0.327 63.807 63.200 0.466 0.000 1.091 250 S HN 0.194 nan 8.310 nan 0.000 0.450 251 L N 4.804 126.252 121.223 0.376 0.000 2.456 251 L HA 0.294 4.634 4.340 0.001 0.000 0.224 251 L C 2.204 179.330 176.870 0.426 0.000 1.148 251 L CA 2.366 57.450 54.840 0.405 0.000 0.825 251 L CB -0.811 41.370 42.059 0.204 0.000 0.937 251 L HN 0.964 nan 8.230 nan 0.000 0.450 252 G N -0.840 108.157 108.800 0.329 0.000 2.440 252 G HA2 -0.322 3.638 3.960 0.001 0.000 0.218 252 G HA3 -0.322 3.638 3.960 0.001 0.000 0.218 252 G C 1.356 176.294 174.900 0.063 0.000 1.154 252 G CA 0.885 46.061 45.100 0.127 0.000 0.767 252 G HN 0.414 nan 8.290 nan 0.000 0.552 253 F N -0.305 119.708 119.950 0.106 0.000 2.408 253 F HA 0.128 4.655 4.527 0.000 0.000 0.300 253 F C 1.766 177.318 175.800 -0.414 0.000 1.090 253 F CA 0.617 58.511 58.000 -0.177 0.000 1.427 253 F CB -0.190 38.784 39.000 -0.045 0.000 1.070 253 F HN 0.110 nan 8.300 nan 0.000 0.549 254 F N -0.669 119.399 119.950 0.197 0.000 2.704 254 F HA 0.192 4.719 4.527 0.001 0.000 0.304 254 F C 0.839 176.648 175.800 0.016 0.000 1.094 254 F CA -0.179 57.874 58.000 0.087 0.000 1.275 254 F CB -0.055 39.006 39.000 0.101 0.000 1.073 254 F HN -0.385 nan 8.300 nan 0.000 0.586 255 K N 1.749 122.231 120.400 0.136 0.000 2.156 255 K HA 0.362 4.682 4.320 0.001 0.000 0.271 255 K C -2.610 173.954 176.600 -0.060 0.000 0.995 255 K CA -1.802 54.513 56.287 0.047 0.000 0.890 255 K CB 1.064 33.591 32.500 0.045 0.000 1.073 255 K HN -0.202 nan 8.250 nan 0.000 0.454 256 P HA 0.145 nan 4.420 nan 0.000 0.277 256 P C -0.976 176.097 177.300 -0.378 0.000 1.240 256 P CA -0.421 62.547 63.100 -0.219 0.000 0.798 256 P CB 0.688 32.268 31.700 -0.200 0.000 0.979 257 K N 1.292 121.463 120.400 -0.381 0.000 2.123 257 K HA 0.525 4.845 4.320 0.001 0.000 0.248 257 K C -0.482 175.831 176.600 -0.479 0.000 0.969 257 K CA -0.636 55.434 56.287 -0.361 0.000 0.882 257 K CB 1.006 33.389 32.500 -0.195 0.000 1.080 257 K HN 0.592 nan 8.250 nan 0.000 0.441 258 H N 0.236 119.291 119.070 -0.024 0.000 2.679 258 H HA 0.260 4.817 4.556 0.001 0.000 0.360 258 H C -2.522 172.793 175.328 -0.021 0.000 1.105 258 H CA -2.064 53.975 56.048 -0.016 0.000 1.196 258 H CB 1.739 31.496 29.762 -0.007 0.000 1.636 258 H HN 0.337 nan 8.280 nan 0.000 0.531 259 P HA -0.061 nan 4.420 nan 0.000 0.265 259 P C -0.745 176.578 177.300 0.039 0.000 1.193 259 P CA -0.231 62.894 63.100 0.042 0.000 0.765 259 P CB 0.586 32.303 31.700 0.028 0.000 0.823 260 L N 3.435 124.666 121.223 0.014 0.000 2.350 260 L HA 0.165 4.505 4.340 0.001 0.000 0.275 260 L C 0.571 177.438 176.870 -0.005 0.000 1.099 260 L CA -0.143 54.700 54.840 0.006 0.000 0.808 260 L CB -0.062 41.995 42.059 -0.003 0.000 1.149 260 L HN 0.377 nan 8.230 nan 0.000 0.442 261 E N 3.731 123.927 120.200 -0.006 0.000 2.341 261 E HA 0.090 4.440 4.350 0.001 0.000 0.256 261 E C -0.310 176.278 176.600 -0.020 0.000 1.125 261 E CA 0.450 56.843 56.400 -0.011 0.000 0.939 261 E CB 0.214 29.909 29.700 -0.009 0.000 0.991 261 E HN 0.382 nan 8.360 nan 0.000 0.458 262 I N 2.093 122.646 120.570 -0.029 0.000 2.354 262 I HA 0.143 4.313 4.170 0.001 0.000 0.292 262 I C -0.466 175.618 176.117 -0.055 0.000 0.989 262 I CA -0.870 60.402 61.300 -0.047 0.000 1.188 262 I CB 0.852 38.814 38.000 -0.063 0.000 1.342 262 I HN 0.278 nan 8.210 nan 0.000 0.457 263 E N 9.120 129.286 120.200 -0.057 0.000 2.465 263 E HA 0.063 4.414 4.350 0.001 0.000 0.260 263 E C -1.824 174.721 176.600 -0.092 0.000 0.980 263 E CA -1.086 55.282 56.400 -0.053 0.000 0.927 263 E CB -0.112 29.561 29.700 -0.045 0.000 0.934 263 E HN 0.462 nan 8.360 nan 0.000 0.459 264 P HA -0.187 nan 4.420 nan 0.000 0.226 264 P C 0.756 177.985 177.300 -0.119 0.000 1.146 264 P CA 1.029 64.093 63.100 -0.059 0.000 0.773 264 P CB 0.482 32.245 31.700 0.104 0.000 0.772 265 E N 0.327 120.482 120.200 -0.075 0.000 2.060 265 E HA -0.072 4.278 4.350 0.001 0.000 0.189 265 E C 2.378 178.915 176.600 -0.105 0.000 0.974 265 E CA 0.653 57.017 56.400 -0.060 0.000 0.808 265 E CB -0.534 29.152 29.700 -0.024 0.000 0.768 265 E HN -0.073 nan 8.360 nan 0.000 0.453 266 R N 0.415 120.847 120.500 -0.114 0.000 2.081 266 R HA -0.108 4.232 4.340 0.001 0.000 0.235 266 R C 2.422 178.616 176.300 -0.178 0.000 1.131 266 R CA 1.620 57.651 56.100 -0.115 0.000 0.960 266 R CB -0.408 29.838 30.300 -0.091 0.000 0.856 266 R HN 0.392 nan 8.270 nan 0.000 0.436 267 L N -1.064 119.977 121.223 -0.303 0.000 2.492 267 L HA 0.116 4.456 4.340 0.001 0.000 0.223 267 L C 2.391 178.914 176.870 -0.578 0.000 1.132 267 L CA 0.640 55.225 54.840 -0.425 0.000 0.850 267 L CB -0.300 41.473 42.059 -0.477 0.000 0.966 267 L HN 0.028 nan 8.230 nan 0.000 0.454 268 R N 1.327 121.519 120.500 -0.514 0.000 2.070 268 R HA -0.162 4.178 4.340 0.001 0.000 0.233 268 R C 2.109 178.377 176.300 -0.052 0.000 1.137 268 R CA 2.069 58.069 56.100 -0.166 0.000 0.945 268 R CB -0.128 30.183 30.300 0.019 0.000 0.845 268 R HN 0.460 nan 8.270 nan 0.000 0.430 269 K N 0.103 120.461 120.400 -0.069 0.000 2.097 269 K HA -0.124 4.197 4.320 0.001 0.000 0.206 269 K C 2.177 178.758 176.600 -0.032 0.000 1.049 269 K CA 1.551 57.819 56.287 -0.033 0.000 0.933 269 K CB -0.174 32.305 32.500 -0.036 0.000 0.717 269 K HN 0.260 nan 8.250 nan 0.000 0.442 270 I N 0.639 121.169 120.570 -0.067 0.000 2.202 270 I HA -0.263 3.907 4.170 0.001 0.000 0.242 270 I C 2.252 178.360 176.117 -0.015 0.000 1.091 270 I CA 1.010 62.281 61.300 -0.049 0.000 1.368 270 I CB -0.208 37.746 38.000 -0.077 0.000 1.058 270 I HN -0.071 nan 8.210 nan 0.000 0.410 271 V N 1.624 121.534 119.914 -0.006 0.000 2.343 271 V HA -0.271 3.850 4.120 0.001 0.000 0.247 271 V C 2.470 178.608 176.094 0.073 0.000 1.051 271 V CA 2.341 64.681 62.300 0.067 0.000 1.036 271 V CB -0.852 31.078 31.823 0.178 0.000 0.654 271 V HN 0.602 nan 8.190 nan 0.000 0.451 272 E N 0.329 120.569 120.200 0.066 0.000 2.107 272 E HA -0.282 4.069 4.350 0.001 0.000 0.191 272 E C 2.022 178.647 176.600 0.042 0.000 0.982 272 E CA 1.430 57.867 56.400 0.062 0.000 0.809 272 E CB -0.381 29.356 29.700 0.061 0.000 0.756 272 E HN 0.627 nan 8.360 nan 0.000 0.459 273 E N 1.353 121.569 120.200 0.027 0.000 2.070 273 E HA -0.205 4.146 4.350 0.001 0.000 0.197 273 E C 2.191 178.806 176.600 0.024 0.000 1.004 273 E CA 1.829 58.241 56.400 0.019 0.000 0.805 273 E CB 0.050 29.755 29.700 0.007 0.000 0.744 273 E HN 0.230 nan 8.360 nan 0.000 0.451 274 R N -1.159 119.358 120.500 0.028 0.000 2.115 274 R HA -0.004 4.337 4.340 0.001 0.000 0.230 274 R C 1.274 177.599 176.300 0.043 0.000 1.111 274 R CA 0.728 56.848 56.100 0.033 0.000 0.976 274 R CB -0.262 30.061 30.300 0.037 0.000 0.870 274 R HN 0.337 nan 8.270 nan 0.000 0.445 275 G N 1.958 110.788 108.800 0.051 0.000 2.295 275 G HA2 -0.285 3.676 3.960 0.001 0.000 0.287 275 G HA3 -0.285 3.676 3.960 0.001 0.000 0.287 275 G C 0.086 175.026 174.900 0.068 0.000 1.055 275 G CA 0.650 45.785 45.100 0.058 0.000 0.922 275 G HN 0.478 nan 8.290 nan 0.000 0.503 276 T N -2.723 111.877 114.554 0.078 0.000 2.950 276 T HA 0.824 5.174 4.350 0.001 0.000 0.288 276 T C 0.353 175.118 174.700 0.108 0.000 1.035 276 T CA 0.007 62.159 62.100 0.086 0.000 1.028 276 T CB 2.305 71.220 68.868 0.078 0.000 1.109 276 T HN 1.697 nan 8.240 nan 0.000 0.514 277 A N 1.315 124.209 122.820 0.124 0.000 2.350 277 A HA 0.575 4.896 4.320 0.001 0.000 0.293 277 A C 0.089 177.781 177.584 0.181 0.000 1.231 277 A CA -0.659 51.484 52.037 0.176 0.000 0.883 277 A CB -0.443 18.678 19.000 0.202 0.000 1.133 277 A HN 1.163 nan 8.150 nan 0.000 0.533 278 V N 5.497 125.516 119.914 0.176 0.000 2.487 278 V HA 0.919 5.039 4.120 0.001 0.000 0.298 278 V C -1.050 175.143 176.094 0.165 0.000 1.028 278 V CA -0.742 61.609 62.300 0.084 0.000 0.860 278 V CB 0.910 32.785 31.823 0.086 0.000 0.991 278 V HN 1.072 nan 8.190 nan 0.000 0.427 279 F N 4.259 124.271 119.950 0.103 0.000 2.711 279 F HA 1.006 5.533 4.527 0.001 0.000 0.313 279 F C -0.516 175.394 175.800 0.185 0.000 1.141 279 F CA -0.580 57.477 58.000 0.094 0.000 0.941 279 F CB 1.095 40.140 39.000 0.074 0.000 1.349 279 F HN 0.749 nan 8.300 nan 0.000 0.464 280 A N 0.736 123.791 122.820 0.392 0.000 2.430 280 A HA 0.800 5.120 4.320 0.001 0.000 0.300 280 A C -1.469 176.419 177.584 0.506 0.000 1.124 280 A CA -0.553 51.703 52.037 0.365 0.000 0.766 280 A CB 1.722 20.889 19.000 0.278 0.000 1.328 280 A HN 1.874 nan 8.150 nan 0.000 0.424 281 V N 0.777 120.989 119.914 0.498 0.000 2.370 281 V HA 0.596 4.716 4.120 0.001 0.000 0.279 281 V C -0.238 176.071 176.094 0.358 0.000 1.029 281 V CA -0.485 62.080 62.300 0.441 0.000 0.870 281 V CB 1.026 33.088 31.823 0.398 0.000 0.984 281 V HN 0.833 nan 8.190 nan 0.000 0.451 282 K N 6.917 127.457 120.400 0.234 0.000 2.213 282 K HA 0.610 4.930 4.320 0.001 0.000 0.270 282 K C -1.281 175.350 176.600 0.052 0.000 1.002 282 K CA -0.536 55.730 56.287 -0.036 0.000 0.868 282 K CB 1.235 33.665 32.500 -0.116 0.000 1.093 282 K HN 0.820 nan 8.250 nan 0.000 0.454 283 F N 0.234 120.130 119.950 -0.089 0.000 2.662 283 F HA 0.500 5.027 4.527 0.001 0.000 0.312 283 F C -0.853 175.044 175.800 0.161 0.000 1.113 283 F CA -1.447 56.541 58.000 -0.021 0.000 0.951 283 F CB 0.885 39.845 39.000 -0.068 0.000 1.344 283 F HN 0.336 nan 8.300 nan 0.000 0.462 284 R N 2.220 122.907 120.500 0.313 0.000 2.491 284 R HA 0.176 4.516 4.340 0.001 0.000 0.283 284 R C -0.230 176.027 176.300 -0.071 0.000 1.072 284 R CA -0.490 55.584 56.100 -0.045 0.000 1.048 284 R CB 0.674 30.978 30.300 0.007 0.000 0.983 284 R HN 0.783 nan 8.270 nan 0.000 0.450 285 K N 6.671 126.930 120.400 -0.236 0.000 2.378 285 K HA 0.137 4.457 4.320 0.001 0.000 0.288 285 K C -2.039 174.525 176.600 -0.060 0.000 1.057 285 K CA -1.510 54.688 56.287 -0.149 0.000 0.971 285 K CB 0.621 33.023 32.500 -0.165 0.000 0.975 285 K HN 0.380 nan 8.250 nan 0.000 0.475 286 P HA -0.023 nan 4.420 nan 0.000 0.267 286 P C -0.754 176.530 177.300 -0.027 0.000 1.205 286 P CA -0.080 63.022 63.100 0.003 0.000 0.765 286 P CB 0.579 32.295 31.700 0.027 0.000 0.828 287 D N 3.919 124.299 120.400 -0.033 0.000 2.551 287 D HA 0.181 4.822 4.640 0.001 0.000 0.223 287 D C 0.039 176.321 176.300 -0.030 0.000 1.144 287 D CA -0.175 53.803 54.000 -0.036 0.000 1.025 287 D CB -1.097 39.678 40.800 -0.041 0.000 1.085 287 D HN 0.328 nan 8.370 nan 0.000 0.506 288 I N -0.999 119.557 120.570 -0.024 0.000 2.969 288 I HA 0.540 4.711 4.170 0.001 0.000 0.307 288 I C 0.297 176.416 176.117 0.004 0.000 1.149 288 I CA -1.434 59.855 61.300 -0.017 0.000 1.008 288 I CB 1.661 39.651 38.000 -0.017 0.000 1.232 288 I HN -0.095 nan 8.210 nan 0.000 0.435 289 V N 0.144 120.069 119.914 0.018 0.000 3.332 289 V HA 0.074 4.194 4.120 0.001 0.000 0.305 289 V C 0.779 176.934 176.094 0.103 0.000 1.114 289 V CA 0.417 62.754 62.300 0.061 0.000 1.194 289 V CB 0.302 32.171 31.823 0.077 0.000 1.027 289 V HN 0.930 nan 8.190 nan 0.000 0.492 290 D N 0.699 121.197 120.400 0.163 0.000 2.097 290 D HA -0.133 4.507 4.640 0.001 0.000 0.195 290 D C 1.687 178.199 176.300 0.353 0.000 0.989 290 D CA 2.056 56.230 54.000 0.291 0.000 0.827 290 D CB -0.202 40.784 40.800 0.310 0.000 0.966 290 D HN 0.836 nan 8.370 nan 0.000 0.456 291 D N -0.418 120.146 120.400 0.273 0.000 2.378 291 D HA -0.075 4.566 4.640 0.001 0.000 0.222 291 D C 1.137 177.593 176.300 0.260 0.000 0.980 291 D CA 0.540 54.730 54.000 0.317 0.000 0.907 291 D CB -0.038 40.921 40.800 0.265 0.000 0.899 291 D HN 0.233 nan 8.370 nan 0.000 0.527 292 N N -0.129 118.666 118.700 0.159 0.000 2.482 292 N HA 0.109 4.850 4.740 0.001 0.000 0.179 292 N C 1.771 177.287 175.510 0.010 0.000 1.039 292 N CA -0.163 52.930 53.050 0.071 0.000 0.884 292 N CB 0.485 39.000 38.487 0.046 0.000 1.113 292 N HN -0.005 nan 8.380 nan 0.000 0.440 293 L N -0.231 120.989 121.223 -0.005 0.000 2.017 293 L HA -0.185 4.156 4.340 0.001 0.000 0.208 293 L C 1.410 178.144 176.870 -0.227 0.000 1.073 293 L CA 1.558 56.310 54.840 -0.148 0.000 0.745 293 L CB -0.255 41.645 42.059 -0.266 0.000 0.894 293 L HN 0.318 nan 8.230 nan 0.000 0.432 294 Y N -0.086 120.188 120.300 -0.043 0.000 2.181 294 Y HA -0.159 4.391 4.550 0.001 0.000 0.288 294 Y C -0.350 175.449 175.900 -0.168 0.000 1.146 294 Y CA 1.402 59.453 58.100 -0.082 0.000 1.164 294 Y CB -1.654 36.863 38.460 0.095 0.000 0.982 294 Y HN 0.310 nan 8.280 nan 0.000 0.515 295 P HA -0.163 nan 4.420 nan 0.000 0.216 295 P C 0.923 178.129 177.300 -0.157 0.000 1.153 295 P CA 1.789 64.766 63.100 -0.204 0.000 0.848 295 P CB -0.037 31.419 31.700 -0.407 0.000 0.787 296 Q N -0.785 118.926 119.800 -0.149 0.000 2.167 296 Q HA -0.059 4.282 4.340 0.001 0.000 0.202 296 Q C 2.213 178.112 176.000 -0.168 0.000 0.970 296 Q CA 0.945 56.670 55.803 -0.130 0.000 0.855 296 Q CB -0.638 28.037 28.738 -0.105 0.000 0.911 296 Q HN 0.290 nan 8.270 nan 0.000 0.438 297 L N 0.565 121.611 121.223 -0.295 0.000 2.056 297 L HA -0.192 4.148 4.340 0.001 0.000 0.207 297 L C 2.177 178.735 176.870 -0.519 0.000 1.078 297 L CA 1.254 55.792 54.840 -0.504 0.000 0.749 297 L CB -0.261 41.220 42.059 -0.964 0.000 0.901 297 L HN 0.286 nan 8.230 nan 0.000 0.433 298 E N -0.297 119.680 120.200 -0.371 0.000 2.077 298 E HA -0.265 4.086 4.350 0.001 0.000 0.193 298 E C 2.243 178.862 176.600 0.032 0.000 0.989 298 E CA 1.081 57.479 56.400 -0.003 0.000 0.800 298 E CB 0.010 29.779 29.700 0.115 0.000 0.746 298 E HN 0.269 nan 8.360 nan 0.000 0.452 299 R N 0.590 121.076 120.500 -0.023 0.000 2.070 299 R HA -0.170 4.170 4.340 0.001 0.000 0.233 299 R C 2.277 178.611 176.300 0.057 0.000 1.137 299 R CA 1.481 57.589 56.100 0.013 0.000 0.945 299 R CB -0.323 29.964 30.300 -0.023 0.000 0.845 299 R HN 0.150 nan 8.270 nan 0.000 0.430 300 A N 0.342 123.179 122.820 0.029 0.000 1.903 300 A HA -0.243 4.078 4.320 0.001 0.000 0.219 300 A C 2.268 179.986 177.584 0.223 0.000 1.191 300 A CA 2.306 54.392 52.037 0.082 0.000 0.638 300 A CB -0.957 18.059 19.000 0.026 0.000 0.823 300 A HN 0.498 nan 8.150 nan 0.000 0.451 301 S N -1.158 114.692 115.700 0.250 0.000 2.353 301 S HA -0.207 4.263 4.470 0.001 0.000 0.222 301 S C 2.117 176.966 174.600 0.415 0.000 1.035 301 S CA 1.523 59.963 58.200 0.401 0.000 1.025 301 S CB -0.372 63.019 63.200 0.318 0.000 0.902 301 S HN 0.646 nan 8.310 nan 0.000 0.440 302 R N 1.006 121.655 120.500 0.248 0.000 2.091 302 R HA -0.098 4.243 4.340 0.001 0.000 0.238 302 R C 1.951 178.399 176.300 0.247 0.000 1.136 302 R CA 1.203 57.428 56.100 0.208 0.000 0.959 302 R CB -0.043 30.328 30.300 0.118 0.000 0.856 302 R HN 0.150 nan 8.270 nan 0.000 0.437 303 K N 0.372 120.895 120.400 0.206 0.000 2.057 303 K HA -0.084 4.237 4.320 0.001 0.000 0.206 303 K C 2.096 178.738 176.600 0.069 0.000 1.050 303 K CA 1.208 57.598 56.287 0.171 0.000 0.935 303 K CB -0.245 32.378 32.500 0.206 0.000 0.715 303 K HN 0.290 nan 8.250 nan 0.000 0.439 304 I N 0.032 120.663 120.570 0.102 0.000 2.233 304 I HA -0.224 3.947 4.170 0.001 0.000 0.243 304 I C 2.278 178.342 176.117 -0.088 0.000 1.093 304 I CA 0.801 62.021 61.300 -0.134 0.000 1.380 304 I CB -0.345 37.578 38.000 -0.129 0.000 1.067 304 I HN -0.073 nan 8.210 nan 0.000 0.413 305 F N 1.978 121.922 119.950 -0.009 0.000 2.087 305 F HA -0.315 4.212 4.527 0.000 0.000 0.299 305 F C 2.431 178.221 175.800 -0.016 0.000 1.100 305 F CA 2.078 60.107 58.000 0.048 0.000 1.226 305 F CB -0.153 38.975 39.000 0.212 0.000 0.983 305 F HN 0.056 nan 8.300 nan 0.000 0.479 306 E N -0.728 119.597 120.200 0.208 0.000 2.106 306 E HA -0.215 4.136 4.350 0.001 0.000 0.192 306 E C 2.014 178.555 176.600 -0.098 0.000 0.984 306 E CA 1.311 57.753 56.400 0.069 0.000 0.806 306 E CB -0.481 29.288 29.700 0.116 0.000 0.750 306 E HN 0.550 nan 8.360 nan 0.000 0.458 307 F N 1.322 121.072 119.950 -0.335 0.000 2.126 307 F HA -0.200 4.328 4.527 0.001 0.000 0.299 307 F C 1.736 177.358 175.800 -0.296 0.000 1.096 307 F CA 1.304 59.023 58.000 -0.467 0.000 1.255 307 F CB -0.145 38.184 39.000 -1.118 0.000 0.997 307 F HN -0.067 nan 8.300 nan 0.000 0.479 308 L N 0.483 121.392 121.223 -0.522 0.000 2.141 308 L HA -0.171 4.170 4.340 0.001 0.000 0.209 308 L C 2.630 179.262 176.870 -0.396 0.000 1.094 308 L CA 1.758 56.300 54.840 -0.496 0.000 0.763 308 L CB -0.744 41.109 42.059 -0.343 0.000 0.908 308 L HN 0.407 nan 8.230 nan 0.000 0.437 309 E N 0.786 120.755 120.200 -0.385 0.000 2.122 309 E HA -0.203 4.147 4.350 0.001 0.000 0.190 309 E C 2.087 178.548 176.600 -0.231 0.000 0.977 309 E CA 0.441 56.666 56.400 -0.291 0.000 0.820 309 E CB -0.225 29.316 29.700 -0.265 0.000 0.770 309 E HN 0.514 nan 8.360 nan 0.000 0.462 310 R N 0.617 120.978 120.500 -0.232 0.000 2.280 310 R HA 0.036 4.376 4.340 0.001 0.000 0.207 310 R C 0.869 177.010 176.300 -0.266 0.000 1.043 310 R CA 0.737 56.723 56.100 -0.190 0.000 1.006 310 R CB 0.044 30.274 30.300 -0.117 0.000 0.885 310 R HN 0.029 nan 8.270 nan 0.000 0.467 311 E N 1.238 121.198 120.200 -0.400 0.000 2.444 311 E HA 0.043 4.394 4.350 0.001 0.000 0.191 311 E C -0.432 175.821 176.600 -0.580 0.000 1.041 311 E CA -0.081 56.045 56.400 -0.457 0.000 0.883 311 E CB 0.008 29.391 29.700 -0.528 0.000 1.024 311 E HN 0.441 nan 8.360 nan 0.000 0.470 312 N N -1.064 117.395 118.700 -0.401 0.000 2.863 312 N HA -0.216 4.524 4.740 0.001 0.000 0.245 312 N C 0.295 175.608 175.510 -0.328 0.000 1.001 312 N CA 0.605 53.451 53.050 -0.339 0.000 0.901 312 N CB -1.620 36.673 38.487 -0.323 0.000 1.124 312 N HN 0.098 nan 8.380 nan 0.000 0.582 313 F N 0.484 120.330 119.950 -0.174 0.000 2.771 313 F HA 0.230 4.758 4.527 0.001 0.000 0.299 313 F C 1.415 177.141 175.800 -0.124 0.000 1.177 313 F CA 0.763 58.683 58.000 -0.134 0.000 1.450 313 F CB -0.196 38.706 39.000 -0.164 0.000 1.114 313 F HN 0.147 nan 8.300 nan 0.000 0.587 314 M N 0.607 120.199 119.600 -0.014 0.000 2.573 314 M HA -0.165 4.315 4.480 0.001 0.000 0.184 314 M C -2.458 173.811 176.300 -0.052 0.000 0.953 314 M CA -0.342 54.934 55.300 -0.041 0.000 0.592 314 M CB -0.766 31.834 32.600 0.001 0.000 1.151 314 M HN -0.176 nan 8.290 nan 0.000 0.850 315 P HA 0.132 nan 4.420 nan 0.000 0.272 315 P C 0.048 177.335 177.300 -0.022 0.000 1.223 315 P CA -0.087 62.892 63.100 -0.203 0.000 0.784 315 P CB 0.910 32.192 31.700 -0.698 0.000 0.923 316 L N 0.868 122.172 121.223 0.134 0.000 2.471 316 L HA 0.292 4.633 4.340 0.001 0.000 0.186 316 L C 1.439 178.507 176.870 0.330 0.000 1.191 316 L CA 0.510 55.466 54.840 0.193 0.000 0.835 316 L CB -0.223 41.905 42.059 0.116 0.000 1.092 316 L HN 0.303 nan 8.230 nan 0.000 0.495 317 R N -0.612 120.057 120.500 0.283 0.000 2.837 317 R HA 0.524 4.864 4.340 0.001 0.000 0.271 317 R C -1.229 175.202 176.300 0.219 0.000 0.993 317 R CA -0.477 55.747 56.100 0.207 0.000 0.931 317 R CB 2.361 32.697 30.300 0.059 0.000 1.206 317 R HN 0.214 nan 8.270 nan 0.000 0.474 318 S N -0.047 115.692 115.700 0.065 0.000 2.568 318 S HA 0.924 5.395 4.470 0.001 0.000 0.293 318 S C -1.033 173.460 174.600 -0.179 0.000 1.089 318 S CA -0.865 57.310 58.200 -0.042 0.000 0.945 318 S CB 2.409 65.672 63.200 0.104 0.000 1.077 318 S HN 0.759 nan 8.310 nan 0.000 0.485 319 A N 0.996 123.652 122.820 -0.272 0.000 2.602 319 A HA 0.923 5.244 4.320 0.001 0.000 0.290 319 A C -1.413 176.065 177.584 -0.177 0.000 1.114 319 A CA -0.998 50.865 52.037 -0.289 0.000 0.683 319 A CB 0.960 19.812 19.000 -0.247 0.000 1.281 319 A HN 1.517 nan 8.150 nan 0.000 0.416 320 F N -1.226 118.694 119.950 -0.049 0.000 2.664 320 F HA 0.921 5.448 4.527 0.001 0.000 0.317 320 F C -0.658 175.181 175.800 0.065 0.000 1.108 320 F CA -1.078 56.926 58.000 0.007 0.000 0.957 320 F CB 1.617 40.643 39.000 0.043 0.000 1.365 320 F HN 0.519 nan 8.300 nan 0.000 0.475 321 K N 1.042 121.684 120.400 0.404 0.000 2.502 321 K HA 0.784 5.105 4.320 0.001 0.000 0.257 321 K C -1.935 174.852 176.600 0.311 0.000 0.938 321 K CA -0.870 55.600 56.287 0.306 0.000 0.819 321 K CB 2.316 34.890 32.500 0.123 0.000 1.333 321 K HN 1.087 nan 8.250 nan 0.000 0.434 322 A N 2.338 125.308 122.820 0.250 0.000 2.363 322 A HA 0.431 4.751 4.320 0.001 0.000 0.296 322 A C 0.119 177.808 177.584 0.174 0.000 1.237 322 A CA -0.492 51.630 52.037 0.142 0.000 0.773 322 A CB 0.566 19.562 19.000 -0.008 0.000 1.153 322 A HN 0.746 nan 8.150 nan 0.000 0.473 323 S N 1.347 117.180 115.700 0.222 0.000 2.546 323 S HA 0.277 4.748 4.470 0.001 0.000 0.265 323 S C 1.100 175.781 174.600 0.135 0.000 1.190 323 S CA 0.238 58.561 58.200 0.205 0.000 1.014 323 S CB 0.237 63.624 63.200 0.312 0.000 1.087 323 S HN 0.586 nan 8.310 nan 0.000 0.525 324 E N 1.444 121.720 120.200 0.127 0.000 2.023 324 E HA -0.182 4.168 4.350 0.001 0.000 0.196 324 E C 1.666 178.269 176.600 0.005 0.000 1.003 324 E CA 2.192 58.634 56.400 0.069 0.000 0.809 324 E CB -0.335 29.408 29.700 0.072 0.000 0.755 324 E HN 0.894 nan 8.360 nan 0.000 0.449 325 E N -2.145 118.045 120.200 -0.017 0.000 2.601 325 E HA 0.197 4.547 4.350 0.001 0.000 0.219 325 E C -0.213 176.018 176.600 -0.615 0.000 0.964 325 E CA -0.225 56.004 56.400 -0.286 0.000 1.050 325 E CB 0.267 29.753 29.700 -0.356 0.000 1.068 325 E HN -0.036 nan 8.360 nan 0.000 0.496 326 F N 0.530 120.436 119.950 -0.073 0.000 2.588 326 F HA 0.508 5.035 4.527 0.001 0.000 0.314 326 F C -0.467 175.132 175.800 -0.334 0.000 1.069 326 F CA -1.106 56.737 58.000 -0.262 0.000 0.931 326 F CB 1.820 40.611 39.000 -0.348 0.000 1.260 326 F HN -0.058 nan 8.300 nan 0.000 0.465 327 C N 1.616 120.589 119.300 -0.544 0.000 2.456 327 C HA 0.705 5.165 4.460 0.001 0.000 0.325 327 C C -1.079 173.492 174.990 -0.698 0.000 1.217 327 C CA -1.065 57.617 59.018 -0.559 0.000 1.687 327 C CB 0.563 27.777 27.740 -0.876 0.000 2.270 327 C HN 0.603 nan 8.230 nan 0.000 0.499 328 Y N 1.638 121.852 120.300 -0.143 0.000 2.468 328 Y HA 0.722 5.272 4.550 0.001 0.000 0.342 328 Y C -0.091 175.876 175.900 0.111 0.000 1.021 328 Y CA -1.203 56.900 58.100 0.004 0.000 1.079 328 Y CB 0.740 39.216 38.460 0.027 0.000 1.226 328 Y HN 0.382 nan 8.280 nan 0.000 0.460 329 L N 4.464 125.873 121.223 0.311 0.000 2.345 329 L HA 0.497 4.837 4.340 0.001 0.000 0.274 329 L C -1.116 175.675 176.870 -0.131 0.000 0.999 329 L CA -0.371 54.555 54.840 0.142 0.000 0.849 329 L CB 0.845 43.092 42.059 0.313 0.000 1.220 329 L HN 0.442 nan 8.230 nan 0.000 0.422 330 L N 3.588 124.599 121.223 -0.354 0.000 2.334 330 L HA 0.605 4.945 4.340 0.001 0.000 0.277 330 L C -0.749 175.624 176.870 -0.828 0.000 1.075 330 L CA -0.045 54.575 54.840 -0.368 0.000 0.804 330 L CB 0.875 42.824 42.059 -0.183 0.000 1.174 330 L HN 0.289 nan 8.230 nan 0.000 0.438 331 F N 0.001 119.773 119.950 -0.297 0.000 2.631 331 F HA 0.494 5.022 4.527 0.001 0.000 0.308 331 F C -0.290 175.253 175.800 -0.429 0.000 1.097 331 F CA -0.752 57.038 58.000 -0.350 0.000 0.952 331 F CB 1.898 40.605 39.000 -0.488 0.000 1.307 331 F HN 0.347 nan 8.300 nan 0.000 0.450 332 E N 1.292 121.487 120.200 -0.008 0.000 2.224 332 E HA 0.632 4.983 4.350 0.001 0.000 0.265 332 E C -1.834 174.795 176.600 0.047 0.000 0.878 332 E CA -0.450 55.948 56.400 -0.004 0.000 0.759 332 E CB 1.727 31.448 29.700 0.035 0.000 1.164 332 E HN 0.736 nan 8.360 nan 0.000 0.414 333 C N 3.354 122.694 119.300 0.066 0.000 2.456 333 C HA 0.263 4.723 4.460 0.001 0.000 0.325 333 C C 1.421 176.465 174.990 0.090 0.000 1.217 333 C CA -0.508 58.561 59.018 0.085 0.000 1.687 333 C CB 1.607 29.422 27.740 0.125 0.000 2.270 333 C HN 0.887 nan 8.230 nan 0.000 0.499 334 Q N 0.559 120.406 119.800 0.079 0.000 2.172 334 Q HA -0.006 4.335 4.340 0.001 0.000 0.200 334 Q C -0.189 175.866 176.000 0.092 0.000 0.964 334 Q CA 1.113 56.960 55.803 0.073 0.000 0.855 334 Q CB 0.110 28.881 28.738 0.054 0.000 0.918 334 Q HN 0.595 nan 8.270 nan 0.000 0.444 335 I N 0.749 121.397 120.570 0.130 0.000 2.312 335 I HA 0.037 4.208 4.170 0.001 0.000 0.290 335 I C 0.673 176.908 176.117 0.197 0.000 1.008 335 I CA 0.293 61.694 61.300 0.169 0.000 1.226 335 I CB 1.503 39.626 38.000 0.205 0.000 1.371 335 I HN -0.145 nan 8.210 nan 0.000 0.468 336 K N 3.303 123.789 120.400 0.144 0.000 2.314 336 K HA 0.162 4.482 4.320 0.001 0.000 0.198 336 K C 0.292 176.968 176.600 0.128 0.000 1.045 336 K CA 0.624 56.977 56.287 0.110 0.000 0.988 336 K CB 0.400 32.952 32.500 0.087 0.000 0.783 336 K HN 0.559 nan 8.250 nan 0.000 0.484 337 E N 0.332 120.643 120.200 0.185 0.000 2.354 337 E HA 0.276 4.627 4.350 0.001 0.000 0.283 337 E C -1.856 174.862 176.600 0.197 0.000 0.938 337 E CA -0.396 56.124 56.400 0.200 0.000 0.777 337 E CB 1.571 31.345 29.700 0.124 0.000 1.222 337 E HN -0.034 nan 8.360 nan 0.000 0.423 338 I N 2.140 122.842 120.570 0.220 0.000 2.846 338 I HA 0.397 4.568 4.170 0.001 0.000 0.307 338 I C -0.022 176.154 176.117 0.099 0.000 1.053 338 I CA -0.503 60.858 61.300 0.102 0.000 1.050 338 I CB 1.884 39.854 38.000 -0.050 0.000 1.239 338 I HN 0.669 nan 8.210 nan 0.000 0.439 339 S N 4.486 120.227 115.700 0.069 0.000 2.584 339 S HA 0.189 4.660 4.470 0.001 0.000 0.270 339 S C 0.925 175.589 174.600 0.106 0.000 1.346 339 S CA -0.274 57.973 58.200 0.078 0.000 1.018 339 S CB 1.295 64.531 63.200 0.061 0.000 0.899 339 S HN 0.769 nan 8.310 nan 0.000 0.542 340 R N 0.505 121.072 120.500 0.110 0.000 2.092 340 R HA 0.090 4.431 4.340 0.001 0.000 0.231 340 R C 0.801 177.214 176.300 0.189 0.000 1.119 340 R CA 0.999 57.180 56.100 0.135 0.000 0.970 340 R CB -0.432 29.939 30.300 0.119 0.000 0.864 340 R HN 0.622 nan 8.270 nan 0.000 0.440 341 V N 1.135 121.145 119.914 0.160 0.000 2.567 341 V HA 0.462 4.582 4.120 0.001 0.000 0.289 341 V C -0.673 175.601 176.094 0.299 0.000 1.049 341 V CA -0.528 61.880 62.300 0.180 0.000 0.969 341 V CB 0.970 32.800 31.823 0.012 0.000 0.995 341 V HN 0.238 nan 8.190 nan 0.000 0.471 342 F N 4.312 124.350 119.950 0.147 0.000 2.726 342 F HA 0.778 5.305 4.527 0.000 0.000 0.324 342 F C -0.491 175.425 175.800 0.194 0.000 1.140 342 F CA -1.511 56.574 58.000 0.142 0.000 0.964 342 F CB 1.387 40.426 39.000 0.065 0.000 1.399 342 F HN 0.342 nan 8.300 nan 0.000 0.491 343 R N 1.076 121.698 120.500 0.204 0.000 2.486 343 R HA 0.604 4.945 4.340 0.001 0.000 0.286 343 R C -0.997 175.411 176.300 0.180 0.000 0.999 343 R CA -0.965 55.192 56.100 0.095 0.000 0.993 343 R CB 1.722 32.122 30.300 0.167 0.000 1.084 343 R HN 0.743 nan 8.270 nan 0.000 0.487 344 R N 2.607 123.194 120.500 0.146 0.000 2.575 344 R HA 0.268 4.608 4.340 0.001 0.000 0.293 344 R C -0.796 175.612 176.300 0.180 0.000 0.983 344 R CA -0.667 55.553 56.100 0.200 0.000 0.887 344 R CB 1.552 31.906 30.300 0.091 0.000 1.184 344 R HN 0.580 nan 8.270 nan 0.000 0.445 345 M N 3.124 122.687 119.600 -0.061 0.000 2.245 345 M HA 0.318 4.799 4.480 0.001 0.000 0.344 345 M C -0.283 175.647 176.300 -0.616 0.000 1.170 345 M CA 0.662 55.516 55.300 -0.745 0.000 1.135 345 M CB 0.880 33.096 32.600 -0.642 0.000 1.574 345 M HN 0.783 nan 8.290 nan 0.000 0.452 346 G N 3.948 112.104 108.800 -1.073 0.000 2.788 346 G HA2 0.742 4.703 3.960 0.001 0.000 0.293 346 G HA3 0.742 4.703 3.960 0.001 0.000 0.293 346 G C -3.067 171.313 174.900 -0.866 0.000 1.305 346 G CA -1.324 42.946 45.100 -1.383 0.000 1.005 346 G HN 0.532 nan 8.290 nan 0.000 0.496 347 P HA 0.114 nan 4.420 nan 0.000 0.272 347 P C -0.489 176.695 177.300 -0.194 0.000 1.223 347 P CA -0.117 62.767 63.100 -0.361 0.000 0.784 347 P CB 0.789 32.322 31.700 -0.277 0.000 0.923 348 Q N 1.012 120.727 119.800 -0.143 0.000 2.361 348 Q HA 0.032 4.373 4.340 0.001 0.000 0.276 348 Q C 1.180 177.176 176.000 -0.008 0.000 1.022 348 Q CA 0.073 55.835 55.803 -0.068 0.000 0.898 348 Q CB 0.038 28.685 28.738 -0.151 0.000 1.246 348 Q HN 0.509 nan 8.270 nan 0.000 0.410 349 F N 0.904 120.926 119.950 0.120 0.000 2.250 349 F HA -0.161 4.367 4.527 0.001 0.000 0.301 349 F C 1.145 177.036 175.800 0.151 0.000 1.077 349 F CA 1.259 59.410 58.000 0.251 0.000 1.348 349 F CB -0.177 38.921 39.000 0.163 0.000 1.040 349 F HN 0.526 nan 8.300 nan 0.000 0.509 350 E N 0.065 119.876 120.200 -0.649 0.000 2.112 350 E HA -0.155 4.196 4.350 0.001 0.000 0.190 350 E C 0.753 177.242 176.600 -0.185 0.000 0.979 350 E CA 0.879 57.010 56.400 -0.449 0.000 0.814 350 E CB -0.301 29.021 29.700 -0.629 0.000 0.762 350 E HN 0.295 nan 8.360 nan 0.000 0.460 351 D N 1.799 122.093 120.400 -0.177 0.000 2.540 351 D HA -0.098 4.542 4.640 0.001 0.000 0.237 351 D C 0.724 176.975 176.300 -0.081 0.000 1.181 351 D CA 0.277 54.207 54.000 -0.117 0.000 1.119 351 D CB 0.130 40.855 40.800 -0.124 0.000 1.119 351 D HN 0.198 nan 8.370 nan 0.000 0.498 352 E N 2.698 122.863 120.200 -0.058 0.000 2.038 352 E HA -0.256 4.094 4.350 0.001 0.000 0.195 352 E C 1.840 178.404 176.600 -0.059 0.000 1.000 352 E CA 0.784 57.159 56.400 -0.042 0.000 0.803 352 E CB 0.157 29.845 29.700 -0.021 0.000 0.750 352 E HN 0.416 nan 8.360 nan 0.000 0.448 353 R N 0.131 120.599 120.500 -0.053 0.000 2.127 353 R HA -0.144 4.196 4.340 0.001 0.000 0.238 353 R C 1.686 177.952 176.300 -0.057 0.000 1.134 353 R CA 1.830 57.900 56.100 -0.050 0.000 0.975 353 R CB -0.006 30.269 30.300 -0.041 0.000 0.865 353 R HN 0.124 nan 8.270 nan 0.000 0.447 354 N N -0.645 118.014 118.700 -0.068 0.000 2.376 354 N HA -0.046 4.695 4.740 0.001 0.000 0.177 354 N C 1.516 176.977 175.510 -0.081 0.000 1.024 354 N CA 0.723 53.733 53.050 -0.066 0.000 0.893 354 N CB 0.101 38.540 38.487 -0.080 0.000 0.980 354 N HN -0.009 nan 8.380 nan 0.000 0.439 355 V N 1.207 121.036 119.914 -0.141 0.000 2.343 355 V HA -0.213 3.908 4.120 0.001 0.000 0.247 355 V C 2.135 178.105 176.094 -0.208 0.000 1.051 355 V CA 1.458 63.602 62.300 -0.261 0.000 1.036 355 V CB -0.388 31.232 31.823 -0.338 0.000 0.654 355 V HN 0.230 nan 8.190 nan 0.000 0.451 356 K N 0.143 120.459 120.400 -0.139 0.000 2.034 356 K HA -0.248 4.073 4.320 0.001 0.000 0.214 356 K C 2.229 178.780 176.600 -0.081 0.000 1.051 356 K CA 1.939 58.164 56.287 -0.104 0.000 0.931 356 K CB -0.239 32.219 32.500 -0.070 0.000 0.715 356 K HN 0.392 nan 8.250 nan 0.000 0.446 357 K N -0.678 119.692 120.400 -0.050 0.000 2.148 357 K HA -0.129 4.191 4.320 0.001 0.000 0.204 357 K C 1.987 178.578 176.600 -0.016 0.000 1.050 357 K CA 1.076 57.345 56.287 -0.029 0.000 0.942 357 K CB -0.127 32.366 32.500 -0.010 0.000 0.724 357 K HN 0.093 nan 8.250 nan 0.000 0.446 358 F N 1.659 121.506 119.950 -0.173 0.000 2.163 358 F HA -0.063 4.464 4.527 0.001 0.000 0.297 358 F C 1.560 177.256 175.800 -0.174 0.000 1.094 358 F CA 1.078 58.972 58.000 -0.177 0.000 1.290 358 F CB 0.068 38.935 39.000 -0.222 0.000 1.017 358 F HN -0.147 nan 8.300 nan 0.000 0.483 359 L N -1.591 119.535 121.223 -0.162 0.000 2.558 359 L HA 0.178 4.518 4.340 0.001 0.000 0.225 359 L C 2.341 179.118 176.870 -0.155 0.000 1.128 359 L CA 0.794 55.515 54.840 -0.199 0.000 0.868 359 L CB -1.309 40.631 42.059 -0.198 0.000 1.006 359 L HN 0.106 nan 8.230 nan 0.000 0.454 360 S N 0.843 116.462 115.700 -0.135 0.000 2.392 360 S HA -0.126 4.345 4.470 0.001 0.000 0.232 360 S C 1.371 175.908 174.600 -0.106 0.000 1.041 360 S CA 0.672 58.811 58.200 -0.101 0.000 1.026 360 S CB -0.213 62.938 63.200 -0.082 0.000 0.845 360 S HN 0.433 nan 8.310 nan 0.000 0.465 361 R N 2.185 122.596 120.500 -0.148 0.000 2.694 361 R HA 0.177 4.518 4.340 0.001 0.000 0.268 361 R C -0.145 176.090 176.300 -0.108 0.000 1.061 361 R CA -0.148 55.871 56.100 -0.136 0.000 1.133 361 R CB -0.811 29.375 30.300 -0.191 0.000 1.020 361 R HN 0.526 nan 8.270 nan 0.000 0.475 362 N N 1.491 120.144 118.700 -0.079 0.000 2.406 362 N HA 0.086 4.827 4.740 0.001 0.000 0.251 362 N C -0.742 174.735 175.510 -0.055 0.000 1.069 362 N CA -0.192 52.822 53.050 -0.059 0.000 0.947 362 N CB 0.563 39.022 38.487 -0.046 0.000 1.111 362 N HN 0.185 nan 8.380 nan 0.000 0.497 363 R N 2.031 122.504 120.500 -0.045 0.000 2.686 363 R HA 0.368 4.709 4.340 0.001 0.000 0.286 363 R C 0.394 176.673 176.300 -0.034 0.000 0.969 363 R CA -0.612 55.477 56.100 -0.019 0.000 0.898 363 R CB 1.582 31.887 30.300 0.010 0.000 1.183 363 R HN 0.538 nan 8.270 nan 0.000 0.456 364 A N 2.885 125.665 122.820 -0.066 0.000 1.933 364 A HA -0.022 4.298 4.320 0.001 0.000 0.218 364 A C 0.220 177.519 177.584 -0.476 0.000 1.175 364 A CA 1.272 53.131 52.037 -0.296 0.000 0.628 364 A CB -0.131 18.633 19.000 -0.393 0.000 0.814 364 A HN 0.471 nan 8.150 nan 0.000 0.444 365 F N -0.690 119.300 119.950 0.066 0.000 2.507 365 F HA 0.493 5.020 4.527 0.001 0.000 0.327 365 F C 0.642 176.554 175.800 0.187 0.000 1.068 365 F CA -1.148 56.919 58.000 0.111 0.000 0.965 365 F CB 1.280 40.343 39.000 0.104 0.000 1.192 365 F HN 0.088 nan 8.300 nan 0.000 0.476 366 R N 1.112 121.850 120.500 0.397 0.000 2.438 366 R HA 0.465 4.805 4.340 0.001 0.000 0.287 366 R C -2.813 173.777 176.300 0.483 0.000 1.077 366 R CA -1.665 54.646 56.100 0.351 0.000 1.034 366 R CB -0.391 30.077 30.300 0.279 0.000 0.993 366 R HN 0.223 nan 8.270 nan 0.000 0.459 367 P HA 0.053 nan 4.420 nan 0.000 0.272 367 P C -0.943 176.690 177.300 0.556 0.000 1.223 367 P CA -0.237 63.149 63.100 0.476 0.000 0.784 367 P CB 0.367 32.376 31.700 0.516 0.000 0.923 368 F N -0.061 120.062 119.950 0.289 0.000 2.661 368 F HA 0.767 5.294 4.527 0.001 0.000 0.347 368 F C -0.657 174.969 175.800 -0.289 0.000 1.086 368 F CA -1.463 56.544 58.000 0.012 0.000 1.016 368 F CB 0.694 39.706 39.000 0.021 0.000 1.368 368 F HN 0.017 nan 8.300 nan 0.000 0.505 369 I N 0.680 121.147 120.570 -0.171 0.000 2.474 369 I HA 0.454 4.624 4.170 0.001 0.000 0.294 369 I C -1.061 175.087 176.117 0.052 0.000 1.005 369 I CA -0.509 60.576 61.300 -0.358 0.000 1.113 369 I CB 1.991 39.626 38.000 -0.608 0.000 1.289 369 I HN 0.833 nan 8.210 nan 0.000 0.436 370 E N 5.379 125.639 120.200 0.099 0.000 2.347 370 E HA 0.268 4.618 4.350 0.001 0.000 0.285 370 E C -0.946 175.748 176.600 0.156 0.000 0.925 370 E CA -0.655 55.818 56.400 0.121 0.000 0.779 370 E CB 1.101 30.854 29.700 0.088 0.000 1.233 370 E HN 0.602 nan 8.360 nan 0.000 0.414 371 N N 2.842 121.587 118.700 0.075 0.000 2.701 371 N HA -0.222 4.518 4.740 0.001 0.000 0.252 371 N C 0.458 176.045 175.510 0.129 0.000 1.002 371 N CA 1.817 54.921 53.050 0.091 0.000 0.758 371 N CB -1.255 37.298 38.487 0.110 0.000 0.937 371 N HN 0.989 nan 8.380 nan 0.000 0.538 372 G N -0.895 107.959 108.800 0.090 0.000 2.295 372 G HA2 -0.353 3.608 3.960 0.001 0.000 0.287 372 G HA3 -0.353 3.608 3.960 0.001 0.000 0.287 372 G C -0.070 174.981 174.900 0.252 0.000 1.055 372 G CA 0.573 45.786 45.100 0.189 0.000 0.922 372 G HN 0.768 nan 8.290 nan 0.000 0.503 373 R N -1.454 119.126 120.500 0.132 0.000 2.626 373 R HA 0.485 4.825 4.340 0.001 0.000 0.274 373 R C -0.659 175.567 176.300 -0.122 0.000 1.031 373 R CA -1.060 55.043 56.100 0.006 0.000 0.898 373 R CB 1.121 31.393 30.300 -0.047 0.000 1.222 373 R HN 0.124 nan 8.270 nan 0.000 0.455 374 W N 2.947 124.065 121.300 -0.305 0.000 2.202 374 W HA 0.309 4.970 4.660 0.001 0.000 0.332 374 W C -0.518 175.588 176.519 -0.689 0.000 1.263 374 W CA 0.555 57.681 57.345 -0.364 0.000 1.223 374 W CB 0.622 29.843 29.460 -0.399 0.000 1.128 374 W HN 0.408 nan 8.180 nan 0.000 0.573 375 W N 1.292 122.386 121.300 -0.342 0.000 3.217 375 W HA 0.639 5.300 4.660 0.001 0.000 0.323 375 W C -0.531 175.784 176.519 -0.340 0.000 1.216 375 W CA -1.049 56.002 57.345 -0.491 0.000 1.194 375 W CB 0.971 29.806 29.460 -1.042 0.000 1.397 375 W HN 0.436 nan 8.180 nan 0.000 0.537 376 A N 1.526 124.425 122.820 0.132 0.000 2.386 376 A HA 0.920 5.240 4.320 0.001 0.000 0.308 376 A C -1.838 175.649 177.584 -0.162 0.000 1.128 376 A CA -0.746 51.303 52.037 0.020 0.000 0.789 376 A CB 0.791 19.774 19.000 -0.029 0.000 1.325 376 A HN 0.481 nan 8.150 nan 0.000 0.437 377 F N 0.641 120.658 119.950 0.112 0.000 2.415 377 F HA 0.531 5.058 4.527 0.001 0.000 0.348 377 F C 0.609 176.348 175.800 -0.101 0.000 1.119 377 F CA 0.178 58.173 58.000 -0.008 0.000 1.069 377 F CB 1.611 40.614 39.000 0.004 0.000 1.124 377 F HN 0.626 nan 8.300 nan 0.000 0.472 378 E N 2.432 122.504 120.200 -0.213 0.000 2.392 378 E HA 0.523 4.874 4.350 0.001 0.000 0.269 378 E C -0.855 175.667 176.600 -0.131 0.000 0.924 378 E CA -1.128 55.128 56.400 -0.240 0.000 0.784 378 E CB 1.854 31.331 29.700 -0.372 0.000 1.292 378 E HN 0.349 nan 8.360 nan 0.000 0.447 379 M N 1.161 120.814 119.600 0.088 0.000 2.342 379 M HA 0.419 4.899 4.480 0.001 0.000 0.332 379 M C -0.059 176.419 176.300 0.297 0.000 1.166 379 M CA -0.129 55.290 55.300 0.199 0.000 1.086 379 M CB 0.608 33.289 32.600 0.136 0.000 1.541 379 M HN 0.340 nan 8.290 nan 0.000 0.462 380 R N 0.817 121.452 120.500 0.225 0.000 2.428 380 R HA 0.300 4.641 4.340 0.001 0.000 0.294 380 R C 0.706 176.950 176.300 -0.093 0.000 1.000 380 R CA -0.547 55.558 56.100 0.008 0.000 0.960 380 R CB 1.484 31.740 30.300 -0.073 0.000 1.076 380 R HN 0.605 nan 8.270 nan 0.000 0.475 381 K N 1.314 121.537 120.400 -0.295 0.000 2.432 381 K HA 0.030 4.350 4.320 0.001 0.000 0.196 381 K C -0.330 176.219 176.600 -0.085 0.000 1.038 381 K CA 0.843 57.019 56.287 -0.184 0.000 0.986 381 K CB 0.152 32.565 32.500 -0.145 0.000 0.782 381 K HN 0.331 nan 8.250 nan 0.000 0.485 382 F N -2.607 117.436 119.950 0.154 0.000 2.626 382 F HA 0.332 4.860 4.527 0.001 0.000 0.311 382 F C 0.340 176.267 175.800 0.211 0.000 1.088 382 F CA -1.342 56.761 58.000 0.172 0.000 0.949 382 F CB 0.968 40.089 39.000 0.201 0.000 1.322 382 F HN -0.190 nan 8.300 nan 0.000 0.461 383 T N -3.095 111.766 114.554 0.513 0.000 3.087 383 T HA 0.330 4.681 4.350 0.001 0.000 0.283 383 T C 0.161 175.137 174.700 0.460 0.000 0.956 383 T CA 0.546 62.902 62.100 0.428 0.000 0.894 383 T CB -0.406 68.608 68.868 0.243 0.000 1.160 383 T HN 1.031 nan 8.240 nan 0.000 0.532 384 T N -0.964 113.761 114.554 0.284 0.000 2.916 384 T HA 0.611 4.961 4.350 0.001 0.000 0.292 384 T C -2.598 171.654 174.700 -0.747 0.000 1.055 384 T CA -1.866 60.183 62.100 -0.083 0.000 1.009 384 T CB 2.279 71.093 68.868 -0.090 0.000 1.118 384 T HN -0.317 nan 8.240 nan 0.000 0.497 385 P HA 0.029 nan 4.420 nan 0.000 0.217 385 P C 1.122 177.843 177.300 -0.966 0.000 1.151 385 P CA 0.913 63.155 63.100 -1.431 0.000 0.828 385 P CB 0.114 31.352 31.700 -0.770 0.000 0.788 386 E N 0.141 119.777 120.200 -0.939 0.000 2.085 386 E HA -0.198 4.153 4.350 0.001 0.000 0.194 386 E C 1.967 178.295 176.600 -0.453 0.000 0.994 386 E CA 1.243 57.123 56.400 -0.867 0.000 0.801 386 E CB -0.705 28.625 29.700 -0.618 0.000 0.743 386 E HN 0.407 nan 8.360 nan 0.000 0.453 387 E N -0.077 119.926 120.200 -0.327 0.000 2.077 387 E HA -0.155 4.196 4.350 0.001 0.000 0.193 387 E C 2.202 178.661 176.600 -0.235 0.000 0.989 387 E CA 0.945 57.260 56.400 -0.142 0.000 0.800 387 E CB -0.297 29.418 29.700 0.025 0.000 0.746 387 E HN 0.380 nan 8.360 nan 0.000 0.452 388 G N 1.329 109.789 108.800 -0.566 0.000 2.453 388 G HA2 -0.281 3.679 3.960 0.001 0.000 0.215 388 G HA3 -0.281 3.679 3.960 0.001 0.000 0.215 388 G C 1.807 176.525 174.900 -0.303 0.000 1.201 388 G CA 1.297 45.877 45.100 -0.867 0.000 0.784 388 G HN 0.315 nan 8.290 nan 0.000 0.545 389 V N -0.021 119.775 119.914 -0.197 0.000 2.626 389 V HA -0.013 4.108 4.120 0.001 0.000 0.252 389 V C 2.439 178.452 176.094 -0.135 0.000 1.067 389 V CA 2.274 64.445 62.300 -0.214 0.000 1.081 389 V CB -0.497 31.252 31.823 -0.123 0.000 0.686 389 V HN 0.361 nan 8.190 nan 0.000 0.468 390 R N 0.400 120.872 120.500 -0.046 0.000 2.091 390 R HA -0.178 4.162 4.340 0.001 0.000 0.238 390 R C 2.582 178.981 176.300 0.165 0.000 1.136 390 R CA 2.138 58.344 56.100 0.176 0.000 0.959 390 R CB -0.631 29.735 30.300 0.110 0.000 0.856 390 R HN 0.667 nan 8.270 nan 0.000 0.437 391 S N -0.520 115.222 115.700 0.070 0.000 2.345 391 S HA -0.173 4.298 4.470 0.001 0.000 0.219 391 S C 1.875 176.491 174.600 0.028 0.000 1.031 391 S CA 1.002 59.275 58.200 0.120 0.000 0.984 391 S CB -0.561 62.812 63.200 0.288 0.000 0.874 391 S HN 0.505 nan 8.310 nan 0.000 0.451 392 Y N 2.395 122.499 120.300 -0.327 0.000 2.030 392 Y HA -0.181 4.370 4.550 0.001 0.000 0.274 392 Y C 2.569 178.335 175.900 -0.223 0.000 1.153 392 Y CA 1.895 59.713 58.100 -0.470 0.000 1.115 392 Y CB -1.207 36.419 38.460 -1.390 0.000 0.969 392 Y HN 0.320 nan 8.280 nan 0.000 0.488 393 A N -0.664 121.986 122.820 -0.282 0.000 1.917 393 A HA -0.244 4.077 4.320 0.001 0.000 0.219 393 A C 2.418 179.859 177.584 -0.238 0.000 1.182 393 A CA 2.310 54.095 52.037 -0.421 0.000 0.633 393 A CB -1.302 17.197 19.000 -0.834 0.000 0.819 393 A HN 0.561 nan 8.150 nan 0.000 0.448 394 S N -0.813 114.877 115.700 -0.018 0.000 2.370 394 S HA -0.158 4.312 4.470 0.001 0.000 0.226 394 S C 2.211 176.891 174.600 0.133 0.000 1.033 394 S CA 2.087 60.389 58.200 0.171 0.000 1.011 394 S CB -0.519 62.805 63.200 0.207 0.000 0.852 394 S HN 0.932 nan 8.310 nan 0.000 0.457 395 T N -1.356 113.176 114.554 -0.036 0.000 3.051 395 T HA 0.076 4.427 4.350 0.001 0.000 0.255 395 T C 1.059 175.483 174.700 -0.460 0.000 1.085 395 T CA 0.491 62.482 62.100 -0.182 0.000 1.109 395 T CB -0.195 68.489 68.868 -0.306 0.000 0.921 395 T HN 0.426 nan 8.240 nan 0.000 0.488 396 H N 0.143 118.985 119.070 -0.380 0.000 2.592 396 H HA 0.192 4.749 4.556 0.001 0.000 0.279 396 H C 1.650 176.658 175.328 -0.533 0.000 1.089 396 H CA -0.204 55.478 56.048 -0.610 0.000 1.150 396 H CB -0.206 28.905 29.762 -1.084 0.000 1.575 396 H HN 0.620 nan 8.280 nan 0.000 0.547 397 W N 0.805 121.962 121.300 -0.239 0.000 2.290 397 W HA -0.294 4.366 4.660 0.001 0.000 0.311 397 W C 1.569 178.013 176.519 -0.126 0.000 1.238 397 W CA 1.114 58.336 57.345 -0.206 0.000 1.255 397 W CB -1.241 28.117 29.460 -0.171 0.000 1.145 397 W HN 0.274 nan 8.180 nan 0.000 0.506 398 H N 0.957 119.264 119.070 -1.272 0.000 2.353 398 H HA -0.159 4.398 4.556 0.001 0.000 0.298 398 H C 1.583 176.652 175.328 -0.433 0.000 1.103 398 H CA 2.634 58.035 56.048 -1.079 0.000 1.293 398 H CB -0.619 28.409 29.762 -1.222 0.000 1.372 398 H HN 0.101 nan 8.280 nan 0.000 0.501 399 T N 0.826 115.286 114.554 -0.157 0.000 3.215 399 T HA 0.101 4.452 4.350 0.001 0.000 0.254 399 T C 1.176 175.847 174.700 -0.049 0.000 1.149 399 T CA -0.096 61.980 62.100 -0.042 0.000 1.042 399 T CB -0.388 68.464 68.868 -0.026 0.000 0.966 399 T HN 0.228 nan 8.240 nan 0.000 0.534 400 L N 1.481 122.649 121.223 -0.092 0.000 3.073 400 L HA 0.441 4.781 4.340 0.001 0.000 0.242 400 L C 0.943 177.759 176.870 -0.090 0.000 1.317 400 L CA -0.674 54.124 54.840 -0.070 0.000 1.081 400 L CB -0.548 41.455 42.059 -0.093 0.000 1.456 400 L HN 0.259 nan 8.230 nan 0.000 0.525 401 G N 0.729 109.476 108.800 -0.088 0.000 2.728 401 G HA2 -0.250 3.711 3.960 0.001 0.000 0.686 401 G HA3 -0.250 3.711 3.960 0.001 0.000 0.686 401 G C 0.384 175.218 174.900 -0.111 0.000 1.337 401 G CA -0.014 45.031 45.100 -0.092 0.000 0.861 401 G HN 0.402 nan 8.290 nan 0.000 0.597 402 K N 0.482 120.821 120.400 -0.102 0.000 2.063 402 K HA -0.144 4.176 4.320 0.001 0.000 0.208 402 K C 2.079 178.644 176.600 -0.060 0.000 1.048 402 K CA 1.917 58.142 56.287 -0.103 0.000 0.928 402 K CB -0.152 32.305 32.500 -0.070 0.000 0.713 402 K HN 0.541 nan 8.250 nan 0.000 0.442 403 N N 0.042 118.713 118.700 -0.047 0.000 2.349 403 N HA -0.104 4.636 4.740 0.001 0.000 0.180 403 N C 1.891 177.388 175.510 -0.023 0.000 1.024 403 N CA 1.246 54.280 53.050 -0.026 0.000 0.869 403 N CB -0.063 38.412 38.487 -0.021 0.000 1.022 403 N HN 0.187 nan 8.380 nan 0.000 0.433 404 V N 0.414 120.301 119.914 -0.045 0.000 2.307 404 V HA 0.044 4.165 4.120 0.001 0.000 0.245 404 V C 2.196 178.166 176.094 -0.208 0.000 1.045 404 V CA 2.282 64.518 62.300 -0.107 0.000 1.024 404 V CB -1.370 30.390 31.823 -0.104 0.000 0.651 404 V HN 0.179 nan 8.190 nan 0.000 0.449 405 G N -0.471 108.257 108.800 -0.120 0.000 2.507 405 G HA2 -0.312 3.649 3.960 0.001 0.000 0.221 405 G HA3 -0.312 3.649 3.960 0.001 0.000 0.221 405 G C 1.456 176.473 174.900 0.195 0.000 1.119 405 G CA 1.227 46.330 45.100 0.006 0.000 0.751 405 G HN 0.652 nan 8.290 nan 0.000 0.574 406 E N -0.342 119.911 120.200 0.088 0.000 2.112 406 E HA -0.001 4.349 4.350 0.001 0.000 0.190 406 E C 2.684 179.235 176.600 -0.081 0.000 0.979 406 E CA 0.772 57.178 56.400 0.009 0.000 0.814 406 E CB -0.008 29.699 29.700 0.012 0.000 0.762 406 E HN 0.406 nan 8.360 nan 0.000 0.460 407 S N 0.142 115.815 115.700 -0.045 0.000 2.406 407 S HA -0.052 4.419 4.470 0.001 0.000 0.228 407 S C 1.907 176.503 174.600 -0.007 0.000 1.020 407 S CA 0.525 58.736 58.200 0.017 0.000 0.965 407 S CB -0.093 63.197 63.200 0.151 0.000 0.798 407 S HN 0.190 nan 8.310 nan 0.000 0.488 408 I N 1.124 121.586 120.570 -0.179 0.000 2.394 408 I HA -0.110 4.061 4.170 0.001 0.000 0.251 408 I C 2.845 178.935 176.117 -0.046 0.000 1.136 408 I CA 0.970 62.153 61.300 -0.195 0.000 1.425 408 I CB -0.274 37.477 38.000 -0.414 0.000 1.079 408 I HN 0.320 nan 8.210 nan 0.000 0.425 409 R N 1.186 121.577 120.500 -0.182 0.000 2.070 409 R HA -0.211 4.129 4.340 0.001 0.000 0.233 409 R C 2.090 178.245 176.300 -0.242 0.000 1.137 409 R CA 1.879 57.713 56.100 -0.443 0.000 0.945 409 R CB -0.145 29.506 30.300 -1.082 0.000 0.845 409 R HN 0.328 nan 8.270 nan 0.000 0.430 410 E N -1.380 118.727 120.200 -0.155 0.000 2.160 410 E HA -0.168 4.183 4.350 0.001 0.000 0.195 410 E C -0.314 176.354 176.600 0.114 0.000 0.991 410 E CA 1.387 57.761 56.400 -0.042 0.000 0.810 410 E CB 0.038 29.730 29.700 -0.014 0.000 0.742 410 E HN 0.370 nan 8.360 nan 0.000 0.466 411 Y N -0.856 119.453 120.300 0.014 0.000 2.380 411 Y HA 0.316 4.866 4.550 0.001 0.000 0.320 411 Y C -2.008 174.018 175.900 0.210 0.000 1.272 411 Y CA -1.538 56.593 58.100 0.051 0.000 1.165 411 Y CB 0.382 38.861 38.460 0.033 0.000 1.319 411 Y HN -0.076 nan 8.280 nan 0.000 0.443 412 F N 3.760 123.298 119.950 -0.687 0.000 2.686 412 F HA 0.876 5.403 4.527 0.001 0.000 0.311 412 F C -1.773 173.727 175.800 -0.500 0.000 1.128 412 F CA -0.667 56.877 58.000 -0.760 0.000 0.946 412 F CB 1.904 40.738 39.000 -0.277 0.000 1.336 412 F HN 0.644 nan 8.300 nan 0.000 0.457 413 E N 1.429 121.453 120.200 -0.292 0.000 2.446 413 E HA 0.685 5.036 4.350 0.001 0.000 0.276 413 E C -1.976 174.723 176.600 0.166 0.000 0.969 413 E CA -1.114 55.183 56.400 -0.172 0.000 0.800 413 E CB 2.826 32.498 29.700 -0.046 0.000 1.341 413 E HN 0.603 nan 8.360 nan 0.000 0.460 414 I N 1.682 122.325 120.570 0.121 0.000 2.354 414 I HA 0.281 4.451 4.170 0.001 0.000 0.292 414 I C -0.593 175.591 176.117 0.113 0.000 0.989 414 I CA -0.668 60.734 61.300 0.170 0.000 1.188 414 I CB 1.351 39.407 38.000 0.093 0.000 1.342 414 I HN 0.412 nan 8.210 nan 0.000 0.457 415 I N 4.820 125.484 120.570 0.156 0.000 2.441 415 I HA 0.632 4.802 4.170 0.001 0.000 0.295 415 I C -0.070 176.110 176.117 0.105 0.000 0.994 415 I CA -0.464 60.891 61.300 0.092 0.000 1.144 415 I CB 1.431 39.475 38.000 0.074 0.000 1.314 415 I HN 0.609 nan 8.210 nan 0.000 0.445 416 S N 2.392 118.103 115.700 0.018 0.000 2.588 416 S HA 0.896 5.366 4.470 0.001 0.000 0.275 416 S C 0.048 174.537 174.600 -0.185 0.000 1.130 416 S CA -0.120 58.074 58.200 -0.009 0.000 0.855 416 S CB 2.011 65.258 63.200 0.077 0.000 1.116 416 S HN 1.531 nan 8.310 nan 0.000 0.472 417 G N 2.012 110.615 108.800 -0.328 0.000 2.578 417 G HA2 -0.298 3.662 3.960 0.001 0.000 0.275 417 G HA3 -0.298 3.662 3.960 0.001 0.000 0.275 417 G C 0.444 174.759 174.900 -0.974 0.000 1.271 417 G CA 0.625 45.408 45.100 -0.528 0.000 0.941 417 G HN 0.964 nan 8.290 nan 0.000 0.564 418 E N -0.042 119.912 120.200 -0.410 0.000 2.169 418 E HA -0.244 4.107 4.350 0.001 0.000 0.202 418 E C 2.379 178.890 176.600 -0.149 0.000 1.016 418 E CA 1.573 57.920 56.400 -0.088 0.000 0.817 418 E CB -0.112 29.666 29.700 0.130 0.000 0.736 418 E HN 0.529 nan 8.360 nan 0.000 0.462 419 K N 0.766 121.066 120.400 -0.166 0.000 2.063 419 K HA -0.184 4.137 4.320 0.001 0.000 0.208 419 K C 2.199 178.727 176.600 -0.119 0.000 1.048 419 K CA 1.059 57.289 56.287 -0.096 0.000 0.928 419 K CB -0.107 32.354 32.500 -0.065 0.000 0.713 419 K HN 0.103 nan 8.250 nan 0.000 0.442 420 L N 0.519 121.588 121.223 -0.257 0.000 2.201 420 L HA -0.037 4.304 4.340 0.001 0.000 0.212 420 L C 1.576 178.372 176.870 -0.125 0.000 1.105 420 L CA 1.445 56.161 54.840 -0.206 0.000 0.775 420 L CB -0.322 41.577 42.059 -0.266 0.000 0.913 420 L HN 0.148 nan 8.230 nan 0.000 0.440 421 F N 0.518 120.472 119.950 0.008 0.000 2.325 421 F HA -0.074 4.453 4.527 0.001 0.000 0.299 421 F C 1.822 177.610 175.800 -0.021 0.000 1.090 421 F CA 0.452 58.446 58.000 -0.010 0.000 1.392 421 F CB -0.279 38.720 39.000 -0.002 0.000 1.053 421 F HN 0.132 nan 8.300 nan 0.000 0.521 422 K N 0.714 121.192 120.400 0.129 0.000 2.551 422 K HA 0.126 4.446 4.320 0.001 0.000 0.204 422 K C -0.256 176.358 176.600 0.023 0.000 1.033 422 K CA 0.261 56.588 56.287 0.068 0.000 1.187 422 K CB -0.138 32.393 32.500 0.052 0.000 0.900 422 K HN 0.175 nan 8.250 nan 0.000 0.499 423 E N 2.259 122.459 120.200 -0.000 0.000 2.212 423 E HA 0.183 4.534 4.350 0.001 0.000 0.270 423 E C -2.415 174.100 176.600 -0.142 0.000 0.956 423 E CA -2.360 53.996 56.400 -0.072 0.000 0.825 423 E CB 1.665 31.309 29.700 -0.094 0.000 1.167 423 E HN -0.049 nan 8.360 nan 0.000 0.400 424 P HA 0.041 nan 4.420 nan 0.000 0.225 424 P C 0.550 177.694 177.300 -0.260 0.000 1.768 424 P CA 0.213 63.215 63.100 -0.163 0.000 0.943 424 P CB -0.294 31.355 31.700 -0.085 0.000 1.936 425 V N -2.558 117.207 119.914 -0.248 0.000 3.382 425 V HA 0.042 4.163 4.120 0.001 0.000 0.296 425 V C 2.095 178.135 176.094 -0.091 0.000 1.529 425 V CA 0.673 62.837 62.300 -0.227 0.000 1.048 425 V CB -0.612 31.012 31.823 -0.330 0.000 0.878 425 V HN 0.227 nan 8.190 nan 0.000 0.442 426 T N -0.387 114.138 114.554 -0.048 0.000 2.720 426 T HA -0.167 4.184 4.350 0.001 0.000 0.268 426 T C 2.009 176.691 174.700 -0.029 0.000 1.037 426 T CA 2.232 64.325 62.100 -0.012 0.000 1.144 426 T CB -0.591 68.271 68.868 -0.011 0.000 0.864 426 T HN 0.898 nan 8.240 nan 0.000 0.444 427 A N 1.985 124.784 122.820 -0.035 0.000 1.865 427 A HA -0.129 4.192 4.320 0.001 0.000 0.217 427 A C 2.302 179.861 177.584 -0.042 0.000 1.191 427 A CA 2.048 54.066 52.037 -0.032 0.000 0.623 427 A CB -0.954 18.034 19.000 -0.020 0.000 0.826 427 A HN 0.554 nan 8.150 nan 0.000 0.444 428 E N 0.033 120.201 120.200 -0.053 0.000 2.038 428 E HA -0.174 4.176 4.350 0.001 0.000 0.195 428 E C 1.929 178.492 176.600 -0.062 0.000 1.000 428 E CA 1.250 57.607 56.400 -0.072 0.000 0.803 428 E CB -0.471 29.178 29.700 -0.085 0.000 0.750 428 E HN 0.607 nan 8.360 nan 0.000 0.448 429 L N -0.083 121.115 121.223 -0.041 0.000 1.971 429 L HA -0.335 4.006 4.340 0.001 0.000 0.215 429 L C 2.506 179.362 176.870 -0.024 0.000 1.072 429 L CA 1.492 56.324 54.840 -0.015 0.000 0.758 429 L CB -0.537 41.541 42.059 0.032 0.000 0.889 429 L HN 0.316 nan 8.230 nan 0.000 0.433 430 C N -0.267 119.013 119.300 -0.034 0.000 2.393 430 C HA -0.238 4.222 4.460 0.001 0.000 0.276 430 C C 2.835 177.801 174.990 -0.040 0.000 1.215 430 C CA 1.417 60.411 59.018 -0.040 0.000 1.743 430 C CB -0.826 26.889 27.740 -0.043 0.000 2.044 430 C HN 0.628 nan 8.230 nan 0.000 0.464 431 E N 0.716 120.888 120.200 -0.047 0.000 2.058 431 E HA -0.263 4.087 4.350 0.001 0.000 0.194 431 E C 2.080 178.648 176.600 -0.054 0.000 0.997 431 E CA 1.849 58.217 56.400 -0.053 0.000 0.801 431 E CB -0.596 29.065 29.700 -0.064 0.000 0.746 431 E HN 0.634 nan 8.360 nan 0.000 0.450 432 M N -0.575 118.991 119.600 -0.057 0.000 2.117 432 M HA -0.118 4.362 4.480 0.001 0.000 0.262 432 M C 1.711 177.995 176.300 -0.027 0.000 1.065 432 M CA 1.717 56.986 55.300 -0.052 0.000 1.114 432 M CB 0.010 32.575 32.600 -0.058 0.000 1.361 432 M HN 0.230 nan 8.290 nan 0.000 0.408 433 M N -0.854 118.733 119.600 -0.021 0.000 2.495 433 M HA 0.178 4.658 4.480 0.001 0.000 0.237 433 M C 1.115 177.407 176.300 -0.014 0.000 1.131 433 M CA 0.699 55.994 55.300 -0.009 0.000 1.032 433 M CB 0.223 32.821 32.600 -0.003 0.000 1.513 433 M HN 0.621 nan 8.290 nan 0.000 0.488 434 G N 1.243 110.029 108.800 -0.023 0.000 2.153 434 G HA2 -0.223 3.738 3.960 0.001 0.000 0.252 434 G HA3 -0.223 3.738 3.960 0.001 0.000 0.252 434 G C 0.143 175.028 174.900 -0.026 0.000 0.994 434 G CA -0.060 45.025 45.100 -0.025 0.000 0.698 434 G HN 0.338 nan 8.290 nan 0.000 0.521 435 V N 1.058 120.955 119.914 -0.028 0.000 2.678 435 V HA 0.019 4.140 4.120 0.001 0.000 0.304 435 V C 1.341 177.416 176.094 -0.032 0.000 1.086 435 V CA 0.853 63.134 62.300 -0.032 0.000 1.246 435 V CB 0.426 32.225 31.823 -0.040 0.000 0.861 435 V HN 0.432 nan 8.190 nan 0.000 0.491 436 K N 3.153 123.536 120.400 -0.029 0.000 2.107 436 K HA 0.175 4.495 4.320 0.001 0.000 0.251 436 K C 0.462 177.044 176.600 -0.030 0.000 1.012 436 K CA -0.529 55.741 56.287 -0.028 0.000 0.920 436 K CB 0.258 32.743 32.500 -0.023 0.000 1.033 436 K HN 0.758 nan 8.250 nan 0.000 0.478 437 D N 0.336 120.718 120.400 -0.030 0.000 2.701 437 D HA -0.155 4.485 4.640 0.001 0.000 0.235 437 D C 0.255 176.538 176.300 -0.028 0.000 1.155 437 D CA 0.967 54.950 54.000 -0.029 0.000 0.649 437 D CB -1.565 39.220 40.800 -0.025 0.000 1.050 437 D HN 0.685 nan 8.370 nan 0.000 0.425 438 C N -1.715 117.567 119.300 -0.031 0.000 2.969 438 C HA 0.630 5.090 4.460 0.001 0.000 0.260 438 C C 0.660 175.636 174.990 -0.022 0.000 1.618 438 C CA -1.007 57.994 59.018 -0.028 0.000 1.774 438 C CB -0.898 26.822 27.740 -0.033 0.000 3.063 438 C HN 0.411 nan 8.230 nan 0.000 0.506 439 C N -0.141 119.144 119.300 -0.026 0.000 2.889 439 C HA 0.912 5.372 4.460 0.001 0.000 0.307 439 C C 0.047 175.024 174.990 -0.022 0.000 1.251 439 C CA -0.279 58.725 59.018 -0.024 0.000 1.593 439 C CB 0.886 28.597 27.740 -0.048 0.000 2.104 439 C HN 0.806 nan 8.230 nan 0.000 0.476 440 C N 3.365 122.659 119.300 -0.009 0.000 3.332 440 C HA 0.828 5.289 4.460 0.001 0.000 0.329 440 C C -1.145 173.847 174.990 0.004 0.000 1.434 440 C CA -0.251 58.768 59.018 0.001 0.000 1.314 440 C CB 1.000 28.756 27.740 0.027 0.000 1.664 440 C HN 1.071 nan 8.230 nan 0.000 0.457 441 M N 0.000 119.610 119.600 0.017 0.000 2.572 441 M HA 0.000 4.480 4.480 0.001 0.000 0.227 441 M CA 0.000 55.317 55.300 0.029 0.000 0.988 441 M CB 0.000 32.677 32.600 0.128 0.000 1.302 441 M HN 0.000 nan 8.290 nan 0.000 0.411