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 2wxx_1_A DATA FIRST_RESID 8 DATA SEQUENCE FHLLYHNKST cAXXXXXXXX XXXESTFEPV PIQAKTSPVN EKTLHDQLVL DATA SEQUENCE AAEKLEDEDR KRAAQVAMIT NFVGFRMYKM LNEAGSGASG AILSPPALFG DATA SEQUENCE TLVSFYLGSL DPTASQLQTL LDVPVKEGDc TSRLDGHKVL AALRAVQGLL DATA SEQUENCE VTXXXXXXQT PLLQSIVVGL FTAPGFRLKH SFVQSLALFT PALFPRSLDL DATA SEQUENCE STDPVLATEK INRFIKAVTG WKMNLPLEGV STDSTLLFNT YVHFQGTMRG DATA SEQUENCE FSQLPGVHEF WVDNSISVSV PMISGTGNFQ HWSDAQNNFS VTCVPLGERA DATA SEQUENCE TLLLIQPHCI SDLDRVEALI FQXDLLTWIE NPPPRAIRLT LPQLEIRGSY DATA SEQUENCE NLQDLLAEDK LPTLLGAEAN LNNIGDTNPR VGEVLNSILL ELKAGEXXXX DATA SEQUENCE XXXXXXXXXP EALDVTLSSP FLFAIYEQDS GTLHFLGRVN NPQ 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 8 F HA 0.000 nan 4.527 nan 0.000 0.279 8 F C 0.000 176.054 175.800 0.424 0.000 0.967 8 F CA 0.000 58.157 58.000 0.262 0.000 1.383 8 F CB 0.000 39.097 39.000 0.161 0.000 1.145 9 H N 0.304 119.546 119.070 0.287 0.000 2.422 9 H HA -0.026 4.530 4.556 -0.000 0.000 0.298 9 H C 1.415 176.905 175.328 0.271 0.000 1.098 9 H CA 1.605 57.807 56.048 0.258 0.000 1.315 9 H CB -0.452 29.356 29.762 0.077 0.000 1.382 9 H HN 0.484 nan 8.280 nan 0.000 0.523 10 L N 0.505 121.630 121.223 -0.163 0.000 2.622 10 L HA 0.037 4.377 4.340 -0.000 0.000 0.233 10 L C 1.791 178.659 176.870 -0.003 0.000 1.156 10 L CA 0.248 54.983 54.840 -0.176 0.000 0.866 10 L CB -0.108 41.831 42.059 -0.200 0.000 0.980 10 L HN 0.192 nan 8.230 nan 0.000 0.448 11 L N -2.214 119.055 121.223 0.077 0.000 2.616 11 L HA 0.139 4.479 4.340 -0.000 0.000 0.229 11 L C 0.287 177.082 176.870 -0.124 0.000 1.110 11 L CA -0.222 54.594 54.840 -0.041 0.000 0.884 11 L CB -0.056 41.941 42.059 -0.103 0.000 1.115 11 L HN 0.070 nan 8.230 nan 0.000 0.481 12 Y N -1.019 119.293 120.300 0.019 0.000 2.374 12 Y HA 0.297 4.847 4.550 -0.000 0.000 0.322 12 Y C 0.990 176.884 175.900 -0.009 0.000 1.275 12 Y CA -0.724 57.392 58.100 0.026 0.000 1.307 12 Y CB 0.517 39.032 38.460 0.091 0.000 1.282 12 Y HN -0.068 nan 8.280 nan 0.000 0.509 13 H N 1.659 120.886 119.070 0.262 0.000 2.848 13 H HA 0.058 4.614 4.556 -0.000 0.000 0.341 13 H C -0.429 174.982 175.328 0.139 0.000 1.060 13 H CA 0.102 56.249 56.048 0.165 0.000 1.444 13 H CB 0.556 30.405 29.762 0.145 0.000 1.446 13 H HN 0.616 nan 8.280 nan 0.000 0.583 14 N N 1.313 120.149 118.700 0.227 0.000 2.413 14 N HA 0.049 4.789 4.740 -0.000 0.000 0.266 14 N C 1.483 177.064 175.510 0.117 0.000 1.238 14 N CA 0.044 53.179 53.050 0.141 0.000 0.972 14 N CB 0.511 39.056 38.487 0.097 0.000 1.210 14 N HN 0.672 nan 8.380 nan 0.000 0.547 15 K N -0.125 120.321 120.400 0.077 0.000 2.103 15 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 15 K C 1.964 178.589 176.600 0.042 0.000 1.048 15 K CA 2.172 58.490 56.287 0.052 0.000 0.930 15 K CB -1.366 31.156 32.500 0.037 0.000 0.716 15 K HN 0.677 nan 8.250 nan 0.000 0.444 16 S N 0.318 116.045 115.700 0.046 0.000 2.406 16 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 16 S C 2.219 176.844 174.600 0.041 0.000 1.020 16 S CA 1.516 59.737 58.200 0.036 0.000 0.965 16 S CB -0.529 62.691 63.200 0.033 0.000 0.798 16 S HN 0.597 nan 8.310 nan 0.000 0.488 17 T N 0.910 115.510 114.554 0.077 0.000 2.995 17 T HA 0.025 4.375 4.350 -0.000 0.000 0.269 17 T C 0.875 175.576 174.700 0.001 0.000 1.091 17 T CA 0.664 62.827 62.100 0.105 0.000 1.128 17 T CB -0.693 68.359 68.868 0.306 0.000 0.891 17 T HN 0.427 nan 8.240 nan 0.000 0.492 18 c N 3.276 121.868 118.600 -0.013 0.000 2.615 18 c HA 0.821 5.391 4.570 -0.000 0.000 0.503 18 c C 1.054 175.118 174.090 -0.042 0.000 1.039 18 c CA -1.093 55.195 56.329 -0.069 0.000 1.226 18 c CB -2.589 39.904 42.510 -0.029 0.000 1.447 18 c HN 0.648 nan 8.230 nan 0.000 0.572 32 S N 1.420 117.190 115.700 0.115 0.000 2.549 32 S HA 0.583 5.053 4.470 -0.000 0.000 0.279 32 S C 0.579 175.304 174.600 0.208 0.000 1.321 32 S CA -0.088 58.220 58.200 0.180 0.000 1.054 32 S CB 1.056 64.403 63.200 0.246 0.000 0.899 32 S HN 0.472 nan 8.310 nan 0.000 0.497 33 T N -0.308 114.310 114.554 0.106 0.000 2.883 33 T HA 0.863 5.213 4.350 -0.000 0.000 0.284 33 T C -0.649 174.062 174.700 0.019 0.000 1.041 33 T CA -0.970 61.096 62.100 -0.056 0.000 1.007 33 T CB 1.035 69.794 68.868 -0.182 0.000 1.220 33 T HN 1.324 nan 8.240 nan 0.000 0.552 34 F N -1.917 117.867 119.950 -0.277 0.000 2.703 34 F HA 0.704 5.231 4.527 -0.000 0.000 0.308 34 F C -1.076 174.635 175.800 -0.149 0.000 1.126 34 F CA -1.200 56.688 58.000 -0.186 0.000 0.959 34 F CB 1.375 40.241 39.000 -0.223 0.000 1.297 34 F HN 0.809 nan 8.300 nan 0.000 0.441 35 E N 3.355 123.545 120.200 -0.017 0.000 2.146 35 E HA 0.475 4.825 4.350 -0.000 0.000 0.282 35 E C -2.547 174.140 176.600 0.145 0.000 0.989 35 E CA -2.146 54.222 56.400 -0.053 0.000 0.799 35 E CB 1.095 30.791 29.700 -0.007 0.000 1.088 35 E HN 0.414 nan 8.360 nan 0.000 0.397 36 P HA -0.090 nan 4.420 nan 0.000 0.267 36 P C -0.501 176.887 177.300 0.147 0.000 1.200 36 P CA -0.259 62.983 63.100 0.236 0.000 0.772 36 P CB 0.391 32.178 31.700 0.145 0.000 0.855 37 V N 0.594 120.587 119.914 0.132 0.000 3.139 37 V HA 0.202 4.322 4.120 -0.000 0.000 0.307 37 V C -2.298 173.827 176.094 0.052 0.000 1.095 37 V CA -1.639 60.710 62.300 0.081 0.000 1.160 37 V CB -0.951 30.913 31.823 0.070 0.000 1.003 37 V HN 0.416 nan 8.190 nan 0.000 0.489 38 P HA 0.167 nan 4.420 nan 0.000 0.267 38 P C 0.927 178.214 177.300 -0.021 0.000 1.200 38 P CA 0.113 63.221 63.100 0.012 0.000 0.772 38 P CB 0.466 32.174 31.700 0.014 0.000 0.855 39 I N 1.790 122.323 120.570 -0.062 0.000 2.335 39 I HA -0.360 3.810 4.170 -0.000 0.000 0.251 39 I C 1.693 177.753 176.117 -0.095 0.000 1.129 39 I CA 1.745 62.941 61.300 -0.173 0.000 1.402 39 I CB 0.043 37.918 38.000 -0.208 0.000 1.069 39 I HN 0.338 nan 8.210 nan 0.000 0.424 40 Q N 1.462 121.245 119.800 -0.027 0.000 2.135 40 Q HA -0.033 4.307 4.340 -0.000 0.000 0.204 40 Q C 1.109 177.135 176.000 0.044 0.000 0.981 40 Q CA 1.111 56.923 55.803 0.014 0.000 0.856 40 Q CB -0.731 28.013 28.738 0.010 0.000 0.902 40 Q HN 0.633 nan 8.270 nan 0.000 0.425 41 A N 1.350 124.195 122.820 0.042 0.000 2.603 41 A HA -0.101 4.219 4.320 -0.000 0.000 0.235 41 A C 0.047 177.688 177.584 0.097 0.000 1.035 41 A CA 0.204 52.278 52.037 0.062 0.000 0.755 41 A CB -0.067 18.971 19.000 0.064 0.000 0.954 41 A HN 0.211 nan 8.150 nan 0.000 0.511 42 K N 0.854 121.299 120.400 0.075 0.000 2.382 42 K HA 0.302 4.622 4.320 -0.000 0.000 0.275 42 K C -0.567 176.092 176.600 0.098 0.000 1.009 42 K CA 0.691 57.022 56.287 0.073 0.000 0.970 42 K CB 0.321 32.848 32.500 0.044 0.000 0.934 42 K HN 0.716 nan 8.250 nan 0.000 0.479 43 T N 1.921 116.533 114.554 0.097 0.000 3.143 43 T HA 0.127 4.477 4.350 -0.000 0.000 0.312 43 T C -0.962 173.770 174.700 0.054 0.000 0.986 43 T CA -0.704 61.471 62.100 0.125 0.000 1.024 43 T CB 1.485 70.490 68.868 0.229 0.000 1.030 43 T HN 0.448 nan 8.240 nan 0.000 0.448 44 S N 5.399 121.135 115.700 0.060 0.000 2.537 44 S HA 0.225 4.695 4.470 -0.000 0.000 0.286 44 S C -1.529 173.077 174.600 0.009 0.000 1.299 44 S CA -0.739 57.476 58.200 0.024 0.000 1.067 44 S CB 0.070 63.287 63.200 0.028 0.000 0.864 44 S HN 0.525 nan 8.310 nan 0.000 0.494 45 P HA 0.138 nan 4.420 nan 0.000 0.272 45 P C -0.258 177.007 177.300 -0.058 0.000 1.254 45 P CA -0.506 62.518 63.100 -0.126 0.000 0.795 45 P CB 0.322 31.929 31.700 -0.155 0.000 1.022 46 V N 1.384 121.232 119.914 -0.110 0.000 2.963 46 V HA 0.031 4.151 4.120 -0.000 0.000 0.306 46 V C 1.023 177.102 176.094 -0.025 0.000 1.077 46 V CA 0.328 62.608 62.300 -0.033 0.000 1.124 46 V CB -0.218 31.541 31.823 -0.107 0.000 0.987 46 V HN 0.600 nan 8.190 nan 0.000 0.487 47 N N 2.110 120.821 118.700 0.019 0.000 2.706 47 N HA 0.210 4.950 4.740 -0.000 0.000 0.240 47 N C 0.865 176.414 175.510 0.066 0.000 1.039 47 N CA -0.260 52.809 53.050 0.030 0.000 0.888 47 N CB 1.107 39.608 38.487 0.023 0.000 1.128 47 N HN 0.674 nan 8.380 nan 0.000 0.512 48 E N 1.443 121.701 120.200 0.098 0.000 2.171 48 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 48 E C 0.825 177.493 176.600 0.114 0.000 0.997 48 E CA 1.136 57.625 56.400 0.149 0.000 0.810 48 E CB 0.373 30.199 29.700 0.210 0.000 0.738 48 E HN 0.486 nan 8.360 nan 0.000 0.467 49 K N -0.077 120.367 120.400 0.072 0.000 2.305 49 K HA -0.015 4.305 4.320 -0.000 0.000 0.199 49 K C 1.879 178.534 176.600 0.092 0.000 1.047 49 K CA 0.805 57.131 56.287 0.064 0.000 0.976 49 K CB 0.317 32.821 32.500 0.008 0.000 0.765 49 K HN -0.034 nan 8.250 nan 0.000 0.474 50 T N 1.176 115.771 114.554 0.068 0.000 2.857 50 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 50 T C 1.461 176.195 174.700 0.058 0.000 1.048 50 T CA 0.724 62.856 62.100 0.053 0.000 1.139 50 T CB 0.010 68.898 68.868 0.032 0.000 0.874 50 T HN 0.027 nan 8.240 nan 0.000 0.455 51 L N 0.478 121.745 121.223 0.073 0.000 2.056 51 L HA 0.007 4.346 4.340 -0.000 0.000 0.207 51 L C 2.294 179.207 176.870 0.072 0.000 1.078 51 L CA 1.659 56.539 54.840 0.066 0.000 0.749 51 L CB -1.000 41.110 42.059 0.085 0.000 0.901 51 L HN 0.363 nan 8.230 nan 0.000 0.433 52 H N -0.403 118.677 119.070 0.016 0.000 2.353 52 H HA -0.161 4.395 4.556 -0.000 0.000 0.300 52 H C 1.707 177.034 175.328 -0.001 0.000 1.090 52 H CA 1.961 58.011 56.048 0.003 0.000 1.327 52 H CB 0.119 29.876 29.762 -0.008 0.000 1.383 52 H HN 0.281 nan 8.280 nan 0.000 0.508 53 D N -0.013 120.447 120.400 0.100 0.000 2.178 53 D HA -0.119 4.521 4.640 -0.000 0.000 0.202 53 D C 2.077 178.360 176.300 -0.027 0.000 0.974 53 D CA 0.922 54.948 54.000 0.042 0.000 0.841 53 D CB -0.161 40.685 40.800 0.076 0.000 0.953 53 D HN 0.599 nan 8.370 nan 0.000 0.478 54 Q N -0.039 119.749 119.800 -0.020 0.000 2.123 54 Q HA 0.030 4.370 4.340 -0.000 0.000 0.199 54 Q C 2.336 178.303 176.000 -0.055 0.000 0.966 54 Q CA 0.357 56.143 55.803 -0.028 0.000 0.845 54 Q CB 0.094 28.824 28.738 -0.014 0.000 0.907 54 Q HN 0.264 nan 8.270 nan 0.000 0.439 55 L N 0.185 121.355 121.223 -0.089 0.000 2.141 55 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 55 L C 2.106 178.895 176.870 -0.134 0.000 1.094 55 L CA 0.581 55.359 54.840 -0.103 0.000 0.763 55 L CB -0.051 41.938 42.059 -0.118 0.000 0.908 55 L HN 0.126 nan 8.230 nan 0.000 0.437 56 V N 0.104 119.899 119.914 -0.199 0.000 2.237 56 V HA -0.352 3.768 4.120 -0.000 0.000 0.245 56 V C 2.414 178.463 176.094 -0.075 0.000 1.046 56 V CA 1.823 64.030 62.300 -0.154 0.000 1.007 56 V CB -0.458 31.270 31.823 -0.158 0.000 0.638 56 V HN 0.347 nan 8.190 nan 0.000 0.445 57 L N 0.007 121.197 121.223 -0.055 0.000 1.991 57 L HA -0.333 4.007 4.340 -0.000 0.000 0.221 57 L C 2.776 179.632 176.870 -0.025 0.000 1.079 57 L CA 2.141 56.963 54.840 -0.030 0.000 0.778 57 L CB -0.914 41.132 42.059 -0.022 0.000 0.893 57 L HN 0.419 nan 8.230 nan 0.000 0.437 58 A N -0.350 122.454 122.820 -0.027 0.000 1.884 58 A HA -0.314 4.006 4.320 -0.000 0.000 0.219 58 A C 2.428 180.005 177.584 -0.012 0.000 1.197 58 A CA 2.448 54.476 52.037 -0.015 0.000 0.637 58 A CB -0.982 18.010 19.000 -0.013 0.000 0.827 58 A HN 0.523 nan 8.150 nan 0.000 0.450 59 A N -0.874 121.933 122.820 -0.022 0.000 2.015 59 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 59 A C 1.878 179.456 177.584 -0.011 0.000 1.163 59 A CA 1.561 53.588 52.037 -0.016 0.000 0.646 59 A CB -0.408 18.576 19.000 -0.026 0.000 0.806 59 A HN 0.677 nan 8.150 nan 0.000 0.448 60 E N -0.327 119.865 120.200 -0.014 0.000 2.385 60 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 60 E C 1.517 178.115 176.600 -0.002 0.000 1.013 60 E CA 0.939 57.334 56.400 -0.007 0.000 0.866 60 E CB 0.005 29.699 29.700 -0.009 0.000 0.832 60 E HN 0.848 nan 8.360 nan 0.000 0.500 61 K N 0.654 121.053 120.400 -0.002 0.000 2.444 61 K HA 0.105 4.425 4.320 -0.000 0.000 0.193 61 K C 0.418 177.020 176.600 0.004 0.000 1.024 61 K CA 0.028 56.316 56.287 0.001 0.000 1.077 61 K CB 0.034 32.534 32.500 0.001 0.000 0.833 61 K HN -0.032 nan 8.250 nan 0.000 0.517 62 L N 2.471 123.696 121.223 0.004 0.000 2.455 62 L HA 0.107 4.447 4.340 -0.000 0.000 0.272 62 L C 0.597 177.472 176.870 0.008 0.000 1.174 62 L CA -0.214 54.630 54.840 0.007 0.000 0.869 62 L CB 0.561 42.625 42.059 0.007 0.000 1.130 62 L HN 0.220 nan 8.230 nan 0.000 0.474 63 E N 1.090 121.296 120.200 0.010 0.000 2.790 63 E HA 0.053 4.403 4.350 -0.000 0.000 0.256 63 E C 0.438 177.046 176.600 0.013 0.000 1.246 63 E CA -0.329 56.078 56.400 0.011 0.000 1.041 63 E CB 0.649 30.356 29.700 0.011 0.000 1.272 63 E HN 0.466 nan 8.360 nan 0.000 0.603 64 D N 0.021 120.430 120.400 0.015 0.000 2.183 64 D HA -0.105 4.535 4.640 -0.000 0.000 0.203 64 D C 1.318 177.630 176.300 0.020 0.000 0.969 64 D CA 0.639 54.650 54.000 0.018 0.000 0.842 64 D CB 0.255 41.067 40.800 0.020 0.000 0.957 64 D HN 0.332 nan 8.370 nan 0.000 0.484 65 E N 1.058 121.268 120.200 0.016 0.000 2.058 65 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 65 E C 1.593 178.199 176.600 0.010 0.000 0.997 65 E CA 0.820 57.227 56.400 0.012 0.000 0.801 65 E CB -0.103 29.600 29.700 0.006 0.000 0.746 65 E HN 0.431 nan 8.360 nan 0.000 0.450 66 D N 0.110 120.516 120.400 0.011 0.000 2.144 66 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 66 D C 2.054 178.361 176.300 0.012 0.000 0.984 66 D CA 0.757 54.763 54.000 0.010 0.000 0.834 66 D CB -0.128 40.679 40.800 0.011 0.000 0.955 66 D HN 0.131 nan 8.370 nan 0.000 0.465 67 R N 0.788 121.297 120.500 0.014 0.000 2.115 67 R HA -0.029 4.311 4.340 -0.000 0.000 0.226 67 R C 2.313 178.625 176.300 0.020 0.000 1.100 67 R CA 0.716 56.825 56.100 0.015 0.000 0.980 67 R CB 0.118 30.427 30.300 0.016 0.000 0.875 67 R HN 0.136 nan 8.270 nan 0.000 0.445 68 K N 0.179 120.596 120.400 0.027 0.000 2.026 68 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 68 K C 2.158 178.783 176.600 0.041 0.000 1.048 68 K CA 1.187 57.499 56.287 0.043 0.000 0.929 68 K CB -0.097 32.437 32.500 0.057 0.000 0.713 68 K HN 0.082 nan 8.250 nan 0.000 0.439 69 R N 0.512 121.026 120.500 0.023 0.000 2.096 69 R HA -0.168 4.172 4.340 -0.000 0.000 0.240 69 R C 2.441 178.743 176.300 0.002 0.000 1.139 69 R CA 1.455 57.564 56.100 0.015 0.000 0.952 69 R CB -0.509 29.793 30.300 0.003 0.000 0.854 69 R HN 0.233 nan 8.270 nan 0.000 0.436 70 A N 1.162 123.981 122.820 -0.002 0.000 1.884 70 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 70 A C 2.385 179.946 177.584 -0.038 0.000 1.197 70 A CA 2.158 54.182 52.037 -0.021 0.000 0.637 70 A CB -0.886 18.108 19.000 -0.010 0.000 0.827 70 A HN 0.475 nan 8.150 nan 0.000 0.450 71 A N -0.962 121.853 122.820 -0.009 0.000 1.883 71 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 71 A C 2.158 179.746 177.584 0.006 0.000 1.186 71 A CA 1.854 53.891 52.037 0.001 0.000 0.624 71 A CB -0.698 18.322 19.000 0.032 0.000 0.822 71 A HN 0.693 nan 8.150 nan 0.000 0.444 72 Q N -0.980 118.844 119.800 0.040 0.000 2.020 72 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 72 Q C 2.184 178.129 176.000 -0.092 0.000 0.982 72 Q CA 1.602 57.453 55.803 0.080 0.000 0.838 72 Q CB -0.541 28.298 28.738 0.168 0.000 0.899 72 Q HN 0.497 nan 8.270 nan 0.000 0.423 73 V N 0.876 120.709 119.914 -0.134 0.000 2.490 73 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 73 V C 2.092 177.932 176.094 -0.424 0.000 1.061 73 V CA 1.872 64.008 62.300 -0.273 0.000 1.064 73 V CB -0.593 31.127 31.823 -0.172 0.000 0.670 73 V HN 0.418 nan 8.190 nan 0.000 0.461 74 A N -0.594 122.056 122.820 -0.284 0.000 1.933 74 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 74 A C 2.201 179.629 177.584 -0.259 0.000 1.175 74 A CA 2.353 54.216 52.037 -0.291 0.000 0.628 74 A CB -0.489 18.400 19.000 -0.185 0.000 0.814 74 A HN 0.579 nan 8.150 nan 0.000 0.444 75 M N -0.501 118.994 119.600 -0.175 0.000 2.086 75 M HA -0.106 4.374 4.480 -0.000 0.000 0.261 75 M C 2.089 178.290 176.300 -0.165 0.000 1.067 75 M CA 1.643 56.890 55.300 -0.088 0.000 1.116 75 M CB -0.590 32.031 32.600 0.035 0.000 1.348 75 M HN 0.424 nan 8.290 nan 0.000 0.407 76 I N -0.388 119.952 120.570 -0.384 0.000 2.194 76 I HA -0.299 3.871 4.170 -0.000 0.000 0.246 76 I C 2.266 178.188 176.117 -0.325 0.000 1.093 76 I CA 1.531 62.598 61.300 -0.387 0.000 1.355 76 I CB -1.240 36.481 38.000 -0.464 0.000 1.046 76 I HN 0.347 nan 8.210 nan 0.000 0.413 77 T N 0.872 115.024 114.554 -0.670 0.000 2.708 77 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 77 T C 1.742 176.255 174.700 -0.312 0.000 1.037 77 T CA 1.549 63.259 62.100 -0.651 0.000 1.146 77 T CB -0.355 68.068 68.868 -0.743 0.000 0.865 77 T HN 0.304 nan 8.240 nan 0.000 0.435 78 N N 0.988 119.535 118.700 -0.256 0.000 2.084 78 N HA -0.027 4.713 4.740 -0.000 0.000 0.190 78 N C 1.545 177.013 175.510 -0.071 0.000 1.030 78 N CA 0.832 53.738 53.050 -0.240 0.000 0.849 78 N CB -0.747 37.688 38.487 -0.086 0.000 1.012 78 N HN 0.391 nan 8.380 nan 0.000 0.423 79 F N 1.624 121.568 119.950 -0.011 0.000 2.065 79 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 79 F C 2.293 178.136 175.800 0.072 0.000 1.112 79 F CA 1.198 59.260 58.000 0.104 0.000 1.212 79 F CB -0.612 38.420 39.000 0.053 0.000 0.975 79 F HN -0.127 nan 8.300 nan 0.000 0.476 80 V N 0.546 120.575 119.914 0.193 0.000 2.515 80 V HA -0.106 4.014 4.120 -0.000 0.000 0.250 80 V C 2.431 178.479 176.094 -0.078 0.000 1.058 80 V CA 1.951 64.309 62.300 0.096 0.000 1.064 80 V CB -1.074 30.897 31.823 0.246 0.000 0.675 80 V HN 0.579 nan 8.190 nan 0.000 0.461 81 G N -0.713 107.987 108.800 -0.166 0.000 2.433 81 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 81 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 81 G C 1.379 176.122 174.900 -0.263 0.000 1.186 81 G CA 1.120 46.054 45.100 -0.277 0.000 0.779 81 G HN 0.479 nan 8.290 nan 0.000 0.543 82 F N 0.889 120.733 119.950 -0.177 0.000 2.046 82 F HA -0.031 4.496 4.527 -0.000 0.000 0.297 82 F C 2.737 178.464 175.800 -0.122 0.000 1.123 82 F CA 1.531 59.444 58.000 -0.146 0.000 1.199 82 F CB -0.881 38.031 39.000 -0.148 0.000 0.972 82 F HN 0.026 nan 8.300 nan 0.000 0.474 83 R N -0.008 120.452 120.500 -0.068 0.000 2.162 83 R HA -0.252 4.088 4.340 -0.000 0.000 0.245 83 R C 2.105 178.372 176.300 -0.055 0.000 1.129 83 R CA 2.346 58.356 56.100 -0.149 0.000 0.940 83 R CB -0.378 29.735 30.300 -0.313 0.000 0.875 83 R HN 0.153 nan 8.270 nan 0.000 0.437 84 M N -1.333 118.238 119.600 -0.048 0.000 2.349 84 M HA -0.085 4.395 4.480 -0.000 0.000 0.266 84 M C 1.871 178.134 176.300 -0.061 0.000 1.076 84 M CA 1.031 56.301 55.300 -0.050 0.000 1.126 84 M CB -0.614 31.965 32.600 -0.035 0.000 1.392 84 M HN 0.244 nan 8.290 nan 0.000 0.440 85 Y N 1.582 121.796 120.300 -0.142 0.000 2.242 85 Y HA -0.196 4.354 4.550 -0.000 0.000 0.291 85 Y C 2.522 178.368 175.900 -0.091 0.000 1.137 85 Y CA 1.812 59.824 58.100 -0.148 0.000 1.181 85 Y CB -0.106 38.267 38.460 -0.145 0.000 0.989 85 Y HN 0.151 nan 8.280 nan 0.000 0.527 86 K N -0.500 119.917 120.400 0.029 0.000 2.057 86 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 86 K C 1.851 178.383 176.600 -0.112 0.000 1.050 86 K CA 1.579 57.848 56.287 -0.031 0.000 0.935 86 K CB -0.109 32.409 32.500 0.030 0.000 0.715 86 K HN 0.265 nan 8.250 nan 0.000 0.439 87 M N 0.898 120.435 119.600 -0.105 0.000 2.279 87 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 87 M C 2.145 178.341 176.300 -0.173 0.000 1.062 87 M CA 0.851 56.083 55.300 -0.113 0.000 1.099 87 M CB -0.866 31.680 32.600 -0.088 0.000 1.394 87 M HN 0.207 nan 8.290 nan 0.000 0.426 88 L N 1.344 122.406 121.223 -0.268 0.000 2.005 88 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 88 L C 1.931 178.612 176.870 -0.314 0.000 1.072 88 L CA 1.843 56.462 54.840 -0.369 0.000 0.744 88 L CB -0.839 40.882 42.059 -0.564 0.000 0.895 88 L HN 0.277 nan 8.230 nan 0.000 0.433 89 N N -0.293 118.193 118.700 -0.357 0.000 2.396 89 N HA -0.140 4.600 4.740 -0.000 0.000 0.180 89 N C 1.581 177.001 175.510 -0.150 0.000 1.028 89 N CA 1.062 53.954 53.050 -0.263 0.000 0.893 89 N CB -0.012 38.299 38.487 -0.293 0.000 0.967 89 N HN 0.586 nan 8.380 nan 0.000 0.440 90 E N 0.693 120.814 120.200 -0.132 0.000 2.158 90 E HA 0.036 4.386 4.350 -0.000 0.000 0.191 90 E C 1.708 178.263 176.600 -0.076 0.000 0.982 90 E CA 0.474 56.824 56.400 -0.084 0.000 0.823 90 E CB 0.079 29.738 29.700 -0.069 0.000 0.766 90 E HN 0.288 nan 8.360 nan 0.000 0.468 91 A N 1.033 123.796 122.820 -0.095 0.000 2.067 91 A HA 0.213 4.533 4.320 -0.000 0.000 0.217 91 A C 1.158 178.705 177.584 -0.062 0.000 1.156 91 A CA 0.928 52.921 52.037 -0.073 0.000 0.683 91 A CB -0.247 18.705 19.000 -0.081 0.000 0.808 91 A HN 0.257 nan 8.150 nan 0.000 0.455 92 G N -0.715 108.037 108.800 -0.081 0.000 3.402 92 G HA2 0.025 3.985 3.960 -0.000 0.000 0.686 92 G HA3 0.025 3.985 3.960 -0.000 0.000 0.686 92 G C 0.307 175.173 174.900 -0.056 0.000 0.983 92 G CA 0.254 45.318 45.100 -0.060 0.000 0.821 92 G HN 1.185 nan 8.290 nan 0.000 0.500 93 S N 1.235 116.899 115.700 -0.061 0.000 2.511 93 S HA 0.627 5.097 4.470 -0.000 0.000 0.214 93 S C 1.575 176.186 174.600 0.018 0.000 0.997 93 S CA 0.860 59.039 58.200 -0.035 0.000 0.908 93 S CB 0.894 64.046 63.200 -0.079 0.000 0.803 93 S HN 2.802 nan 8.310 nan 0.000 0.504 94 G N 0.415 109.221 108.800 0.011 0.000 2.479 94 G HA2 0.315 4.275 3.960 -0.000 0.000 0.686 94 G HA3 0.315 4.275 3.960 -0.000 0.000 0.686 94 G C 0.452 175.365 174.900 0.022 0.000 1.295 94 G CA -0.363 44.751 45.100 0.024 0.000 0.922 94 G HN 0.804 nan 8.290 nan 0.000 0.582 95 A N -0.185 122.649 122.820 0.023 0.000 1.968 95 A HA 0.244 4.564 4.320 -0.000 0.000 0.217 95 A C 2.817 180.416 177.584 0.025 0.000 1.169 95 A CA 2.989 55.040 52.037 0.023 0.000 0.638 95 A CB -0.790 18.223 19.000 0.022 0.000 0.812 95 A HN 2.373 nan 8.150 nan 0.000 0.446 96 S N -1.544 114.169 115.700 0.021 0.000 2.368 96 S HA 0.345 4.815 4.470 -0.000 0.000 0.224 96 S C 1.241 175.850 174.600 0.014 0.000 1.029 96 S CA 1.751 59.956 58.200 0.008 0.000 0.988 96 S CB -0.393 62.810 63.200 0.005 0.000 0.838 96 S HN 1.720 nan 8.310 nan 0.000 0.462 97 G N 0.516 109.338 108.800 0.038 0.000 2.553 97 G HA2 0.522 4.482 3.960 -0.000 0.000 0.106 97 G HA3 0.522 4.482 3.960 -0.000 0.000 0.106 97 G C -1.098 173.853 174.900 0.085 0.000 1.126 97 G CA -0.124 45.012 45.100 0.060 0.000 1.075 97 G HN 1.391 nan 8.290 nan 0.000 0.472 98 A N -0.969 121.941 122.820 0.151 0.000 2.608 98 A HA 0.886 5.206 4.320 -0.000 0.000 0.292 98 A C -1.550 176.216 177.584 0.305 0.000 1.066 98 A CA 0.188 52.329 52.037 0.174 0.000 0.676 98 A CB 1.506 20.540 19.000 0.056 0.000 1.277 98 A HN 2.152 nan 8.150 nan 0.000 0.413 99 I N 0.410 121.178 120.570 0.330 0.000 2.785 99 I HA 0.688 4.858 4.170 -0.000 0.000 0.293 99 I C -2.311 174.041 176.117 0.392 0.000 1.446 99 I CA -0.724 60.795 61.300 0.364 0.000 1.028 99 I CB 1.810 40.052 38.000 0.403 0.000 1.349 99 I HN 0.872 nan 8.210 nan 0.000 0.438 100 L N 5.581 126.980 121.223 0.294 0.000 2.482 100 L HA 0.530 4.870 4.340 -0.000 0.000 0.263 100 L C -1.293 175.615 176.870 0.064 0.000 0.957 100 L CA -0.192 54.802 54.840 0.257 0.000 0.836 100 L CB 2.243 44.416 42.059 0.191 0.000 1.324 100 L HN 0.581 nan 8.230 nan 0.000 0.406 101 S N 4.985 120.685 115.700 0.000 0.000 2.474 101 S HA 0.468 4.938 4.470 -0.000 0.000 0.320 101 S C -1.983 172.513 174.600 -0.173 0.000 1.067 101 S CA -1.573 56.443 58.200 -0.307 0.000 1.127 101 S CB 1.097 64.074 63.200 -0.372 0.000 0.971 101 S HN 0.510 nan 8.310 nan 0.000 0.472 102 P HA -0.030 nan 4.420 nan 0.000 0.215 102 P C -1.692 175.554 177.300 -0.090 0.000 1.153 102 P CA 1.099 64.091 63.100 -0.180 0.000 0.853 102 P CB -0.727 30.784 31.700 -0.316 0.000 0.788 103 P HA -0.172 nan 4.420 nan 0.000 0.215 103 P C 1.531 178.930 177.300 0.166 0.000 1.157 103 P CA 2.067 65.166 63.100 -0.003 0.000 0.868 103 P CB -0.678 30.999 31.700 -0.039 0.000 0.788 104 A N -0.025 122.882 122.820 0.145 0.000 1.883 104 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 104 A C 2.168 179.874 177.584 0.204 0.000 1.186 104 A CA 1.493 53.703 52.037 0.288 0.000 0.624 104 A CB -1.753 17.364 19.000 0.195 0.000 0.822 104 A HN 0.127 nan 8.150 nan 0.000 0.444 105 L N -1.311 119.983 121.223 0.117 0.000 1.994 105 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 105 L C 2.300 179.190 176.870 0.034 0.000 1.071 105 L CA 2.483 57.375 54.840 0.086 0.000 0.745 105 L CB -1.360 40.752 42.059 0.089 0.000 0.892 105 L HN 0.498 nan 8.230 nan 0.000 0.431 106 F N 0.738 120.624 119.950 -0.107 0.000 2.065 106 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 106 F C 2.326 177.974 175.800 -0.253 0.000 1.112 106 F CA 2.107 60.014 58.000 -0.154 0.000 1.212 106 F CB -0.612 38.297 39.000 -0.151 0.000 0.975 106 F HN 0.196 nan 8.300 nan 0.000 0.476 107 G N -0.910 107.703 108.800 -0.313 0.000 2.469 107 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 107 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 107 G C 1.557 175.878 174.900 -0.965 0.000 1.150 107 G CA 1.502 46.008 45.100 -0.991 0.000 0.763 107 G HN 0.422 nan 8.290 nan 0.000 0.561 108 T N 1.487 115.720 114.554 -0.534 0.000 2.684 108 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 108 T C 2.424 176.974 174.700 -0.250 0.000 1.036 108 T CA 1.177 63.093 62.100 -0.308 0.000 1.148 108 T CB -0.264 68.553 68.868 -0.084 0.000 0.863 108 T HN 0.188 nan 8.240 nan 0.000 0.436 109 L N 0.720 121.800 121.223 -0.238 0.000 2.093 109 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 109 L C 2.688 179.444 176.870 -0.191 0.000 1.085 109 L CA 0.729 55.462 54.840 -0.178 0.000 0.755 109 L CB -0.719 41.211 42.059 -0.214 0.000 0.904 109 L HN 0.137 nan 8.230 nan 0.000 0.435 110 V N -0.947 118.722 119.914 -0.408 0.000 2.427 110 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 110 V C 2.576 178.590 176.094 -0.133 0.000 1.051 110 V CA 1.816 63.924 62.300 -0.321 0.000 1.048 110 V CB -0.284 31.207 31.823 -0.554 0.000 0.666 110 V HN 0.369 nan 8.190 nan 0.000 0.456 111 S N -0.066 115.503 115.700 -0.219 0.000 2.359 111 S HA -0.199 4.271 4.470 -0.000 0.000 0.224 111 S C 1.781 176.396 174.600 0.025 0.000 1.035 111 S CA 1.890 60.024 58.200 -0.111 0.000 1.018 111 S CB -0.468 62.653 63.200 -0.133 0.000 0.876 111 S HN 0.535 nan 8.310 nan 0.000 0.448 112 F N 0.196 120.105 119.950 -0.068 0.000 2.186 112 F HA -0.046 4.481 4.527 -0.000 0.000 0.299 112 F C 2.230 178.039 175.800 0.014 0.000 1.090 112 F CA 1.009 58.987 58.000 -0.037 0.000 1.307 112 F CB -0.660 38.254 39.000 -0.144 0.000 1.019 112 F HN 0.214 nan 8.300 nan 0.000 0.489 113 Y N 0.717 121.056 120.300 0.066 0.000 2.128 113 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 113 Y C 2.064 177.991 175.900 0.045 0.000 1.154 113 Y CA 1.571 59.679 58.100 0.014 0.000 1.149 113 Y CB -0.825 37.594 38.460 -0.069 0.000 0.976 113 Y HN 0.014 nan 8.280 nan 0.000 0.505 114 L N -0.422 120.747 121.223 -0.090 0.000 2.265 114 L HA -0.152 4.188 4.340 -0.000 0.000 0.215 114 L C 2.303 179.185 176.870 0.020 0.000 1.117 114 L CA 1.283 56.060 54.840 -0.106 0.000 0.782 114 L CB -0.737 41.313 42.059 -0.015 0.000 0.914 114 L HN 0.456 nan 8.230 nan 0.000 0.441 115 G N -1.511 107.318 108.800 0.049 0.000 3.088 115 G HA2 0.025 3.985 3.960 -0.000 0.000 0.217 115 G HA3 0.025 3.985 3.960 -0.000 0.000 0.217 115 G C 0.511 175.330 174.900 -0.136 0.000 1.159 115 G CA 0.425 45.435 45.100 -0.151 0.000 0.760 115 G HN 0.381 nan 8.290 nan 0.000 0.550 116 S N -0.543 115.101 115.700 -0.092 0.000 2.681 116 S HA 0.826 5.296 4.470 -0.000 0.000 0.299 116 S C -0.697 173.861 174.600 -0.069 0.000 1.113 116 S CA -0.756 57.414 58.200 -0.050 0.000 1.013 116 S CB 2.170 65.384 63.200 0.023 0.000 1.076 116 S HN 0.021 nan 8.310 nan 0.000 0.534 117 L N 0.678 121.886 121.223 -0.025 0.000 2.371 117 L HA 0.495 4.835 4.340 -0.000 0.000 0.262 117 L C -0.802 176.079 176.870 0.018 0.000 1.006 117 L CA -1.177 53.656 54.840 -0.012 0.000 0.818 117 L CB 1.784 43.835 42.059 -0.013 0.000 1.354 117 L HN 0.628 nan 8.230 nan 0.000 0.415 118 D N 2.635 123.054 120.400 0.031 0.000 2.506 118 D HA -0.007 4.633 4.640 -0.000 0.000 0.234 118 D C -1.434 174.882 176.300 0.027 0.000 1.143 118 D CA -0.568 53.457 54.000 0.042 0.000 0.871 118 D CB 0.830 41.656 40.800 0.043 0.000 1.190 118 D HN 0.344 nan 8.370 nan 0.000 0.459 119 P HA -0.051 nan 4.420 nan 0.000 0.231 119 P C 1.021 178.346 177.300 0.042 0.000 1.168 119 P CA 0.614 63.735 63.100 0.034 0.000 0.779 119 P CB 0.309 32.023 31.700 0.023 0.000 0.844 120 T N 0.779 115.357 114.554 0.039 0.000 2.652 120 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 120 T C 2.092 176.847 174.700 0.092 0.000 1.039 120 T CA 1.880 64.008 62.100 0.047 0.000 1.153 120 T CB -0.961 67.930 68.868 0.038 0.000 0.863 120 T HN 0.092 nan 8.240 nan 0.000 0.428 121 A N 2.116 125.006 122.820 0.117 0.000 1.917 121 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 121 A C 2.603 180.352 177.584 0.275 0.000 1.182 121 A CA 2.545 54.722 52.037 0.234 0.000 0.633 121 A CB -1.019 18.066 19.000 0.140 0.000 0.819 121 A HN 0.635 nan 8.150 nan 0.000 0.448 122 S N -0.386 115.409 115.700 0.158 0.000 2.335 122 S HA -0.232 4.238 4.470 -0.000 0.000 0.217 122 S C 2.012 176.649 174.600 0.061 0.000 1.032 122 S CA 1.259 59.525 58.200 0.110 0.000 0.985 122 S CB -0.759 62.492 63.200 0.085 0.000 0.896 122 S HN 0.665 nan 8.310 nan 0.000 0.445 123 Q N 1.167 120.998 119.800 0.052 0.000 2.096 123 Q HA -0.111 4.229 4.340 -0.000 0.000 0.208 123 Q C 2.317 178.324 176.000 0.011 0.000 0.993 123 Q CA 1.809 57.629 55.803 0.027 0.000 0.862 123 Q CB -0.672 28.078 28.738 0.021 0.000 0.915 123 Q HN 0.511 nan 8.270 nan 0.000 0.416 124 L N 0.263 121.499 121.223 0.021 0.000 2.042 124 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 124 L C 2.683 179.496 176.870 -0.095 0.000 1.076 124 L CA 1.514 56.345 54.840 -0.015 0.000 0.749 124 L CB -0.389 41.702 42.059 0.053 0.000 0.893 124 L HN 0.365 nan 8.230 nan 0.000 0.432 125 Q N -0.690 119.031 119.800 -0.130 0.000 2.079 125 Q HA -0.191 4.149 4.340 -0.000 0.000 0.200 125 Q C 2.032 177.968 176.000 -0.106 0.000 0.974 125 Q CA 2.063 57.731 55.803 -0.224 0.000 0.840 125 Q CB 0.066 28.672 28.738 -0.220 0.000 0.898 125 Q HN 0.442 nan 8.270 nan 0.000 0.430 126 T N 1.277 115.808 114.554 -0.039 0.000 2.833 126 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 126 T C 1.621 176.323 174.700 0.003 0.000 1.054 126 T CA 0.999 63.094 62.100 -0.008 0.000 1.135 126 T CB -0.169 68.707 68.868 0.014 0.000 0.869 126 T HN 0.227 nan 8.240 nan 0.000 0.466 127 L N 0.565 121.789 121.223 0.002 0.000 2.201 127 L HA 0.155 4.495 4.340 -0.000 0.000 0.212 127 L C 1.594 178.511 176.870 0.077 0.000 1.105 127 L CA 1.419 56.283 54.840 0.042 0.000 0.775 127 L CB -0.327 41.740 42.059 0.013 0.000 0.913 127 L HN 0.243 nan 8.230 nan 0.000 0.440 128 L N -0.698 120.523 121.223 -0.004 0.000 2.629 128 L HA 0.114 4.454 4.340 -0.000 0.000 0.230 128 L C 0.393 177.186 176.870 -0.129 0.000 1.151 128 L CA 0.174 55.013 54.840 -0.003 0.000 0.924 128 L CB -0.618 41.398 42.059 -0.072 0.000 1.137 128 L HN 0.267 nan 8.230 nan 0.000 0.457 129 D N 0.405 120.717 120.400 -0.147 0.000 2.723 129 D HA -0.170 4.470 4.640 -0.000 0.000 0.236 129 D C -0.766 175.483 176.300 -0.086 0.000 1.138 129 D CA 0.354 54.203 54.000 -0.253 0.000 0.676 129 D CB -0.530 39.779 40.800 -0.818 0.000 1.069 129 D HN 0.003 nan 8.370 nan 0.000 0.430 130 V N 1.361 121.261 119.914 -0.022 0.000 2.357 130 V HA 0.438 4.558 4.120 -0.000 0.000 0.281 130 V C -1.886 174.269 176.094 0.101 0.000 1.015 130 V CA -1.420 60.936 62.300 0.093 0.000 0.827 130 V CB 1.717 33.529 31.823 -0.019 0.000 1.018 130 V HN 0.081 nan 8.190 nan 0.000 0.432 131 P HA 0.075 nan 4.420 nan 0.000 0.266 131 P C -0.401 176.975 177.300 0.126 0.000 1.195 131 P CA 0.122 63.281 63.100 0.098 0.000 0.768 131 P CB 0.606 32.352 31.700 0.077 0.000 0.838 132 V N 4.260 124.228 119.914 0.090 0.000 2.259 132 V HA 0.141 4.261 4.120 -0.000 0.000 0.267 132 V C 0.659 176.801 176.094 0.080 0.000 1.051 132 V CA -0.478 61.883 62.300 0.101 0.000 0.830 132 V CB -0.199 31.673 31.823 0.082 0.000 1.080 132 V HN 0.416 nan 8.190 nan 0.000 0.467 133 K N 3.815 124.263 120.400 0.081 0.000 2.382 133 K HA 0.179 4.499 4.320 -0.000 0.000 0.286 133 K C 0.238 176.867 176.600 0.049 0.000 1.062 133 K CA -0.027 56.290 56.287 0.049 0.000 1.000 133 K CB 0.789 33.306 32.500 0.029 0.000 0.954 133 K HN 0.640 nan 8.250 nan 0.000 0.470 134 E N 1.282 121.506 120.200 0.039 0.000 2.406 134 E HA 0.006 4.356 4.350 -0.000 0.000 0.258 134 E C 0.607 177.225 176.600 0.030 0.000 1.043 134 E CA 0.177 56.598 56.400 0.036 0.000 0.929 134 E CB 0.332 30.049 29.700 0.029 0.000 0.969 134 E HN 0.851 nan 8.360 nan 0.000 0.462 135 G N 3.740 112.560 108.800 0.033 0.000 2.356 135 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.233 135 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.233 135 G C -0.644 174.273 174.900 0.029 0.000 1.105 135 G CA -0.184 44.931 45.100 0.027 0.000 0.861 135 G HN 0.597 nan 8.290 nan 0.000 0.493 136 D N -1.287 119.139 120.400 0.042 0.000 2.300 136 D HA 0.317 4.957 4.640 -0.000 0.000 0.218 136 D C 1.003 177.350 176.300 0.078 0.000 1.326 136 D CA 0.362 54.391 54.000 0.048 0.000 0.942 136 D CB 0.217 41.040 40.800 0.038 0.000 1.495 136 D HN 0.291 nan 8.370 nan 0.000 0.545 137 c N 2.274 120.915 118.600 0.069 0.000 2.440 137 c HA -0.096 4.474 4.570 -0.000 0.000 0.278 137 c C 2.600 176.787 174.090 0.163 0.000 1.295 137 c CA 1.895 58.277 56.329 0.088 0.000 1.738 137 c CB -1.068 41.459 42.510 0.027 0.000 1.987 137 c HN 0.780 nan 8.230 nan 0.000 0.492 138 T N -0.800 113.832 114.554 0.131 0.000 3.051 138 T HA -0.090 4.260 4.350 -0.000 0.000 0.269 138 T C 1.387 176.184 174.700 0.161 0.000 1.127 138 T CA 1.496 63.690 62.100 0.157 0.000 1.107 138 T CB -0.680 68.227 68.868 0.065 0.000 0.898 138 T HN 0.726 nan 8.240 nan 0.000 0.517 139 S N 0.322 116.120 115.700 0.164 0.000 2.660 139 S HA 0.296 4.766 4.470 -0.000 0.000 0.227 139 S C 0.534 175.441 174.600 0.511 0.000 0.948 139 S CA -0.917 57.418 58.200 0.226 0.000 0.948 139 S CB -0.122 63.143 63.200 0.109 0.000 0.779 139 S HN 0.224 nan 8.310 nan 0.000 0.487 140 R N 1.058 121.857 120.500 0.497 0.000 2.474 140 R HA 0.462 4.802 4.340 -0.000 0.000 0.295 140 R C -0.256 176.215 176.300 0.284 0.000 0.980 140 R CA -0.776 55.565 56.100 0.403 0.000 0.934 140 R CB 1.044 31.600 30.300 0.428 0.000 1.101 140 R HN 0.349 nan 8.270 nan 0.000 0.469 141 L N 1.771 122.997 121.223 0.005 0.000 2.456 141 L HA 0.007 4.347 4.340 -0.000 0.000 0.272 141 L C 0.677 177.532 176.870 -0.026 0.000 1.189 141 L CA 0.171 54.877 54.840 -0.223 0.000 0.846 141 L CB 0.356 42.160 42.059 -0.424 0.000 1.111 141 L HN 0.393 nan 8.230 nan 0.000 0.475 142 D N 2.388 122.630 120.400 -0.263 0.000 2.411 142 D HA 0.132 4.772 4.640 -0.000 0.000 0.225 142 D C 0.992 177.268 176.300 -0.039 0.000 1.156 142 D CA -0.040 53.728 54.000 -0.386 0.000 0.874 142 D CB 1.702 42.189 40.800 -0.521 0.000 1.034 142 D HN 0.631 nan 8.370 nan 0.000 0.502 143 G N 3.075 111.958 108.800 0.139 0.000 2.491 143 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.218 143 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.218 143 G C 1.232 176.135 174.900 0.004 0.000 1.180 143 G CA 1.010 46.168 45.100 0.098 0.000 0.774 143 G HN 0.594 nan 8.290 nan 0.000 0.562 144 H N 0.469 119.547 119.070 0.014 0.000 2.319 144 H HA 0.015 4.571 4.556 -0.000 0.000 0.299 144 H C 2.658 177.991 175.328 0.007 0.000 1.092 144 H CA 1.692 57.751 56.048 0.017 0.000 1.302 144 H CB -0.032 29.746 29.762 0.027 0.000 1.373 144 H HN 0.329 nan 8.280 nan 0.000 0.497 145 K N -0.099 120.365 120.400 0.107 0.000 2.097 145 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 145 K C 2.176 178.794 176.600 0.030 0.000 1.049 145 K CA 1.308 57.622 56.287 0.044 0.000 0.933 145 K CB -0.099 32.400 32.500 -0.002 0.000 0.717 145 K HN 0.068 nan 8.250 nan 0.000 0.442 146 V N 1.795 121.719 119.914 0.017 0.000 2.270 146 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 146 V C 2.200 178.335 176.094 0.069 0.000 1.043 146 V CA 1.587 63.909 62.300 0.036 0.000 1.014 146 V CB -0.404 31.427 31.823 0.013 0.000 0.645 146 V HN 0.269 nan 8.190 nan 0.000 0.447 147 L N 0.093 121.337 121.223 0.036 0.000 2.131 147 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 147 L C 2.715 179.643 176.870 0.096 0.000 1.092 147 L CA 1.375 56.255 54.840 0.067 0.000 0.759 147 L CB -0.863 41.210 42.059 0.023 0.000 0.903 147 L HN 0.376 nan 8.230 nan 0.000 0.435 148 A N 0.390 123.252 122.820 0.070 0.000 1.865 148 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 148 A C 2.567 180.186 177.584 0.060 0.000 1.191 148 A CA 1.986 54.062 52.037 0.065 0.000 0.623 148 A CB -0.839 18.195 19.000 0.057 0.000 0.826 148 A HN 0.391 nan 8.150 nan 0.000 0.444 149 A N -0.852 121.999 122.820 0.051 0.000 1.933 149 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 149 A C 2.132 179.742 177.584 0.044 0.000 1.175 149 A CA 1.764 53.823 52.037 0.036 0.000 0.628 149 A CB -0.600 18.412 19.000 0.020 0.000 0.814 149 A HN 0.698 nan 8.150 nan 0.000 0.444 150 L N -0.092 121.181 121.223 0.082 0.000 2.046 150 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 150 L C 2.404 179.349 176.870 0.125 0.000 1.077 150 L CA 2.438 57.345 54.840 0.112 0.000 0.747 150 L CB -0.668 41.517 42.059 0.211 0.000 0.896 150 L HN 0.468 nan 8.230 nan 0.000 0.432 151 R N -0.676 119.901 120.500 0.128 0.000 2.096 151 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 151 R C 2.193 178.532 176.300 0.066 0.000 1.127 151 R CA 1.268 57.430 56.100 0.103 0.000 0.968 151 R CB -0.367 29.984 30.300 0.085 0.000 0.861 151 R HN 0.508 nan 8.270 nan 0.000 0.440 152 A N 0.623 123.474 122.820 0.051 0.000 1.883 152 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 152 A C 2.282 179.890 177.584 0.040 0.000 1.186 152 A CA 1.988 54.045 52.037 0.033 0.000 0.624 152 A CB -1.091 17.924 19.000 0.024 0.000 0.822 152 A HN 0.371 nan 8.150 nan 0.000 0.444 153 V N -1.796 118.149 119.914 0.051 0.000 2.407 153 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 153 V C 2.079 178.274 176.094 0.167 0.000 1.055 153 V CA 2.490 64.837 62.300 0.078 0.000 1.049 153 V CB -1.179 30.655 31.823 0.018 0.000 0.662 153 V HN 0.649 nan 8.190 nan 0.000 0.455 154 Q N 1.020 120.911 119.800 0.152 0.000 2.119 154 Q HA 0.001 4.341 4.340 -0.000 0.000 0.201 154 Q C 2.425 178.442 176.000 0.029 0.000 0.972 154 Q CA 1.651 57.526 55.803 0.120 0.000 0.847 154 Q CB -0.660 28.143 28.738 0.108 0.000 0.903 154 Q HN 0.767 nan 8.270 nan 0.000 0.433 155 G N 1.174 109.984 108.800 0.017 0.000 2.440 155 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 155 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 155 G C 1.388 176.272 174.900 -0.027 0.000 1.154 155 G CA 0.555 45.639 45.100 -0.025 0.000 0.767 155 G HN 0.189 nan 8.290 nan 0.000 0.552 156 L N -0.278 120.945 121.223 0.001 0.000 2.191 156 L HA -0.006 4.334 4.340 -0.000 0.000 0.212 156 L C 2.647 179.508 176.870 -0.016 0.000 1.103 156 L CA 0.252 55.092 54.840 -0.000 0.000 0.769 156 L CB -0.303 41.767 42.059 0.017 0.000 0.908 156 L HN 0.226 nan 8.230 nan 0.000 0.438 157 L N 0.137 121.330 121.223 -0.050 0.000 2.093 157 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 157 L C 2.009 178.852 176.870 -0.044 0.000 1.085 157 L CA 1.629 56.393 54.840 -0.126 0.000 0.755 157 L CB -0.132 41.686 42.059 -0.402 0.000 0.904 157 L HN 0.180 nan 8.230 nan 0.000 0.435 158 V N -3.310 116.586 119.914 -0.030 0.000 3.444 158 V HA 0.365 4.485 4.120 -0.000 0.000 0.308 158 V C 0.396 176.499 176.094 0.015 0.000 1.371 158 V CA 0.436 62.746 62.300 0.017 0.000 1.141 158 V CB -1.106 30.735 31.823 0.031 0.000 1.037 158 V HN 0.532 nan 8.190 nan 0.000 0.433 167 T N 0.860 115.396 114.554 -0.030 0.000 3.151 167 T HA -0.148 4.202 4.350 -0.000 0.000 0.438 167 T C -0.700 173.940 174.700 -0.100 0.000 0.772 167 T CA 0.750 62.805 62.100 -0.075 0.000 2.200 167 T CB -1.490 67.269 68.868 -0.182 0.000 1.653 167 T HN 0.654 nan 8.240 nan 0.000 0.581 168 P HA 0.268 nan 4.420 nan 0.000 0.227 168 P C 0.170 177.383 177.300 -0.144 0.000 1.161 168 P CA 0.203 63.253 63.100 -0.083 0.000 0.788 168 P CB 0.290 31.969 31.700 -0.034 0.000 0.822 169 L N 0.092 121.233 121.223 -0.137 0.000 2.341 169 L HA 0.442 4.782 4.340 -0.000 0.000 0.278 169 L C -0.224 176.494 176.870 -0.254 0.000 1.005 169 L CA -0.434 54.262 54.840 -0.240 0.000 0.818 169 L CB 1.864 43.885 42.059 -0.063 0.000 1.259 169 L HN -0.183 nan 8.230 nan 0.000 0.418 170 L N 3.280 124.211 121.223 -0.486 0.000 2.439 170 L HA 0.581 4.921 4.340 -0.000 0.000 0.270 170 L C -0.800 175.840 176.870 -0.384 0.000 0.972 170 L CA -0.337 54.307 54.840 -0.328 0.000 0.836 170 L CB 2.186 44.030 42.059 -0.359 0.000 1.255 170 L HN 0.597 nan 8.230 nan 0.000 0.404 171 Q N 2.006 121.755 119.800 -0.086 0.000 2.304 171 Q HA 0.606 4.946 4.340 -0.000 0.000 0.270 171 Q C -1.599 174.451 176.000 0.084 0.000 1.035 171 Q CA -0.402 55.427 55.803 0.043 0.000 0.781 171 Q CB 2.422 31.318 28.738 0.264 0.000 1.261 171 Q HN 0.601 nan 8.270 nan 0.000 0.444 172 S N 4.077 119.841 115.700 0.106 0.000 2.561 172 S HA 0.593 5.063 4.470 -0.000 0.000 0.303 172 S C -0.767 174.023 174.600 0.318 0.000 1.110 172 S CA -0.525 57.820 58.200 0.241 0.000 1.034 172 S CB 0.861 64.319 63.200 0.429 0.000 1.010 172 S HN 0.543 nan 8.310 nan 0.000 0.482 173 I N 3.368 124.078 120.570 0.233 0.000 2.404 173 I HA 0.560 4.730 4.170 -0.000 0.000 0.293 173 I C -0.428 175.807 176.117 0.198 0.000 0.992 173 I CA -1.002 60.417 61.300 0.199 0.000 1.149 173 I CB 1.745 39.720 38.000 -0.042 0.000 1.315 173 I HN 0.408 nan 8.210 nan 0.000 0.446 174 V N 5.518 125.623 119.914 0.318 0.000 2.656 174 V HA 0.644 4.764 4.120 -0.000 0.000 0.307 174 V C -0.780 175.504 176.094 0.317 0.000 1.051 174 V CA -0.464 61.995 62.300 0.264 0.000 0.893 174 V CB 1.952 33.911 31.823 0.226 0.000 0.999 174 V HN 0.406 nan 8.190 nan 0.000 0.426 175 V N 4.550 124.581 119.914 0.196 0.000 2.435 175 V HA 0.809 4.929 4.120 -0.000 0.000 0.290 175 V C 0.930 177.076 176.094 0.087 0.000 1.030 175 V CA 0.283 62.648 62.300 0.108 0.000 0.881 175 V CB 1.549 33.322 31.823 -0.083 0.000 0.983 175 V HN 1.235 nan 8.190 nan 0.000 0.445 176 G N 4.413 113.237 108.800 0.041 0.000 2.437 176 G HA2 0.588 4.548 3.960 -0.000 0.000 0.315 176 G HA3 0.588 4.548 3.960 -0.000 0.000 0.315 176 G C -1.133 173.332 174.900 -0.725 0.000 1.210 176 G CA -0.423 44.488 45.100 -0.315 0.000 0.943 176 G HN 0.438 nan 8.290 nan 0.000 0.471 177 L N 3.163 123.950 121.223 -0.727 0.000 2.259 177 L HA 0.482 4.822 4.340 -0.000 0.000 0.288 177 L C -0.858 175.695 176.870 -0.528 0.000 1.051 177 L CA -0.810 53.726 54.840 -0.506 0.000 0.824 177 L CB 0.401 42.300 42.059 -0.266 0.000 1.206 177 L HN 0.353 nan 8.230 nan 0.000 0.429 178 F N 1.621 121.591 119.950 0.034 0.000 2.347 178 F HA 0.454 4.981 4.527 -0.000 0.000 0.366 178 F C 0.851 176.650 175.800 -0.002 0.000 1.107 178 F CA -0.897 57.110 58.000 0.012 0.000 1.058 178 F CB 1.130 40.141 39.000 0.019 0.000 1.236 178 F HN 0.400 nan 8.300 nan 0.000 0.456 179 T N 0.072 114.713 114.554 0.145 0.000 2.928 179 T HA 0.827 5.177 4.350 -0.000 0.000 0.284 179 T C 0.135 174.876 174.700 0.069 0.000 1.008 179 T CA -0.910 61.236 62.100 0.075 0.000 1.057 179 T CB 1.696 70.666 68.868 0.171 0.000 1.018 179 T HN 0.663 nan 8.240 nan 0.000 0.493 180 A N 3.315 126.143 122.820 0.014 0.000 2.407 180 A HA 0.586 4.906 4.320 -0.000 0.000 0.248 180 A C -2.324 175.308 177.584 0.080 0.000 1.082 180 A CA -1.645 50.411 52.037 0.032 0.000 0.785 180 A CB -0.798 18.201 19.000 -0.003 0.000 1.020 180 A HN 0.725 nan 8.150 nan 0.000 0.489 181 P HA 0.220 nan 4.420 nan 0.000 0.262 181 P C 1.106 178.448 177.300 0.070 0.000 1.182 181 P CA 1.909 65.043 63.100 0.057 0.000 0.761 181 P CB 0.573 32.294 31.700 0.036 0.000 0.795 182 G N 2.969 111.807 108.800 0.062 0.000 2.358 182 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.224 182 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.224 182 G C 0.094 175.021 174.900 0.045 0.000 1.073 182 G CA -0.275 44.852 45.100 0.045 0.000 0.635 182 G HN 0.564 nan 8.290 nan 0.000 0.509 183 F N 4.302 124.222 119.950 -0.050 0.000 2.578 183 F HA 0.575 5.102 4.527 -0.000 0.000 0.376 183 F C 0.939 176.660 175.800 -0.132 0.000 1.085 183 F CA -0.066 57.889 58.000 -0.075 0.000 1.260 183 F CB 0.459 39.423 39.000 -0.059 0.000 1.095 183 F HN 0.229 nan 8.300 nan 0.000 0.573 184 R N 7.112 127.081 120.500 -0.885 0.000 2.445 184 R HA 0.522 4.862 4.340 -0.000 0.000 0.308 184 R C -1.153 174.578 176.300 -0.949 0.000 0.961 184 R CA -0.997 54.663 56.100 -0.733 0.000 0.862 184 R CB 1.551 31.561 30.300 -0.483 0.000 1.144 184 R HN 0.645 nan 8.270 nan 0.000 0.447 185 L N 2.647 123.349 121.223 -0.868 0.000 2.350 185 L HA 0.343 4.683 4.340 -0.000 0.000 0.275 185 L C 0.285 176.819 176.870 -0.559 0.000 1.099 185 L CA -0.591 53.862 54.840 -0.645 0.000 0.808 185 L CB 0.916 42.626 42.059 -0.582 0.000 1.149 185 L HN 0.364 nan 8.230 nan 0.000 0.442 186 K N 1.087 121.360 120.400 -0.210 0.000 2.322 186 K HA 0.085 4.405 4.320 -0.000 0.000 0.283 186 K C 0.602 177.294 176.600 0.154 0.000 1.042 186 K CA -0.133 56.134 56.287 -0.033 0.000 0.958 186 K CB 0.753 33.270 32.500 0.028 0.000 0.984 186 K HN 0.462 nan 8.250 nan 0.000 0.473 187 H N 0.323 119.563 119.070 0.284 0.000 2.422 187 H HA -0.178 4.378 4.556 -0.000 0.000 0.298 187 H C 2.102 177.539 175.328 0.182 0.000 1.098 187 H CA 2.073 58.292 56.048 0.286 0.000 1.315 187 H CB 0.318 30.180 29.762 0.166 0.000 1.382 187 H HN 0.696 nan 8.280 nan 0.000 0.523 188 S N 0.132 115.999 115.700 0.277 0.000 2.368 188 S HA -0.235 4.235 4.470 -0.000 0.000 0.225 188 S C 2.020 176.763 174.600 0.238 0.000 1.030 188 S CA 1.153 59.482 58.200 0.215 0.000 0.999 188 S CB -0.674 62.630 63.200 0.173 0.000 0.844 188 S HN 0.409 nan 8.310 nan 0.000 0.459 189 F N 3.015 123.021 119.950 0.095 0.000 2.102 189 F HA -0.005 4.521 4.527 -0.000 0.000 0.298 189 F C 2.248 178.092 175.800 0.072 0.000 1.105 189 F CA 1.145 59.181 58.000 0.060 0.000 1.239 189 F CB -0.754 38.260 39.000 0.024 0.000 0.991 189 F HN 0.077 nan 8.300 nan 0.000 0.474 190 V N 0.175 120.093 119.914 0.005 0.000 2.407 190 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 190 V C 2.356 178.402 176.094 -0.080 0.000 1.055 190 V CA 1.998 64.243 62.300 -0.092 0.000 1.049 190 V CB -0.923 30.979 31.823 0.130 0.000 0.662 190 V HN 0.327 nan 8.190 nan 0.000 0.455 191 Q N 0.584 120.397 119.800 0.022 0.000 2.045 191 Q HA -0.197 4.143 4.340 -0.000 0.000 0.206 191 Q C 2.453 178.452 176.000 -0.003 0.000 0.991 191 Q CA 2.474 58.296 55.803 0.033 0.000 0.851 191 Q CB -0.437 28.358 28.738 0.095 0.000 0.911 191 Q HN 0.653 nan 8.270 nan 0.000 0.418 192 S N -0.190 115.492 115.700 -0.031 0.000 2.382 192 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 192 S C 1.677 176.144 174.600 -0.221 0.000 1.027 192 S CA 0.944 59.041 58.200 -0.170 0.000 0.991 192 S CB -0.239 62.814 63.200 -0.245 0.000 0.823 192 S HN 0.236 nan 8.310 nan 0.000 0.469 193 L N 1.415 122.470 121.223 -0.280 0.000 2.201 193 L HA 0.027 4.367 4.340 -0.000 0.000 0.212 193 L C 2.480 179.321 176.870 -0.048 0.000 1.105 193 L CA 1.181 55.912 54.840 -0.182 0.000 0.775 193 L CB -0.819 41.058 42.059 -0.302 0.000 0.913 193 L HN 0.309 nan 8.230 nan 0.000 0.440 194 A N -0.773 122.005 122.820 -0.071 0.000 1.972 194 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 194 A C 2.246 179.826 177.584 -0.008 0.000 1.169 194 A CA 1.336 53.343 52.037 -0.049 0.000 0.635 194 A CB -0.653 18.317 19.000 -0.050 0.000 0.810 194 A HN 0.395 nan 8.150 nan 0.000 0.446 195 L N -1.895 119.337 121.223 0.015 0.000 2.042 195 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 195 L C 2.491 179.434 176.870 0.121 0.000 1.076 195 L CA 1.650 56.520 54.840 0.051 0.000 0.749 195 L CB -0.607 41.472 42.059 0.032 0.000 0.893 195 L HN 0.503 nan 8.230 nan 0.000 0.432 196 F N 0.085 120.014 119.950 -0.035 0.000 2.113 196 F HA -0.066 4.461 4.527 -0.000 0.000 0.297 196 F C 1.134 176.951 175.800 0.029 0.000 1.103 196 F CA 1.365 59.368 58.000 0.005 0.000 1.248 196 F CB 0.004 39.009 39.000 0.009 0.000 0.999 196 F HN -0.004 nan 8.300 nan 0.000 0.475 197 T N 0.569 115.022 114.554 -0.168 0.000 3.291 197 T HA 0.272 4.622 4.350 -0.000 0.000 0.344 197 T C -2.317 172.303 174.700 -0.133 0.000 1.293 197 T CA -1.018 60.941 62.100 -0.234 0.000 1.108 197 T CB 1.667 70.282 68.868 -0.421 0.000 1.231 197 T HN -0.155 nan 8.240 nan 0.000 0.474 198 P HA 0.149 nan 4.420 nan 0.000 0.221 198 P C 0.515 177.727 177.300 -0.147 0.000 1.150 198 P CA 0.288 63.326 63.100 -0.104 0.000 0.800 198 P CB -0.086 31.570 31.700 -0.073 0.000 0.787 199 A N 0.980 123.741 122.820 -0.099 0.000 2.899 199 A HA 0.287 4.607 4.320 -0.000 0.000 0.287 199 A C -0.198 177.329 177.584 -0.096 0.000 1.715 199 A CA 0.046 52.046 52.037 -0.062 0.000 1.393 199 A CB -1.502 17.558 19.000 0.099 0.000 1.070 199 A HN 0.184 nan 8.150 nan 0.000 0.587 200 L N 2.606 123.572 121.223 -0.429 0.000 2.406 200 L HA 0.669 5.009 4.340 -0.000 0.000 0.270 200 L C -1.558 174.994 176.870 -0.529 0.000 0.982 200 L CA -0.343 54.302 54.840 -0.324 0.000 0.843 200 L CB 0.857 42.767 42.059 -0.248 0.000 1.225 200 L HN 0.399 nan 8.230 nan 0.000 0.412 201 F N 6.970 126.876 119.950 -0.073 0.000 2.359 201 F HA 0.494 5.021 4.527 -0.000 0.000 0.370 201 F C -2.084 173.616 175.800 -0.167 0.000 1.077 201 F CA -1.744 56.243 58.000 -0.021 0.000 1.136 201 F CB 1.264 40.369 39.000 0.175 0.000 1.387 201 F HN 0.341 nan 8.300 nan 0.000 0.468 202 P HA 0.350 nan 4.420 nan 0.000 0.293 202 P C -0.579 176.733 177.300 0.019 0.000 1.313 202 P CA -0.417 62.664 63.100 -0.032 0.000 0.787 202 P CB 1.344 33.114 31.700 0.116 0.000 0.910 203 R N 1.437 121.914 120.500 -0.039 0.000 2.771 203 R HA 0.529 4.869 4.340 -0.000 0.000 0.274 203 R C -0.214 176.153 176.300 0.111 0.000 0.987 203 R CA -0.776 55.344 56.100 0.034 0.000 0.908 203 R CB 2.052 32.309 30.300 -0.072 0.000 1.213 203 R HN 0.524 nan 8.270 nan 0.000 0.468 204 S N 1.843 117.589 115.700 0.077 0.000 2.475 204 S HA 0.831 5.301 4.470 -0.000 0.000 0.298 204 S C 0.118 174.746 174.600 0.046 0.000 1.119 204 S CA -0.798 57.449 58.200 0.078 0.000 1.085 204 S CB 1.091 64.330 63.200 0.064 0.000 1.028 204 S HN 0.573 nan 8.310 nan 0.000 0.489 205 L N -0.791 120.458 121.223 0.043 0.000 2.582 205 L HA 0.625 4.965 4.340 -0.000 0.000 0.257 205 L C -1.336 175.538 176.870 0.005 0.000 0.974 205 L CA -1.003 53.839 54.840 0.004 0.000 0.851 205 L CB 1.732 43.768 42.059 -0.039 0.000 1.424 205 L HN 0.551 nan 8.230 nan 0.000 0.412 206 D N 2.325 122.723 120.400 -0.003 0.000 2.368 206 D HA 0.166 4.806 4.640 -0.000 0.000 0.268 206 D C 0.552 176.847 176.300 -0.009 0.000 1.298 206 D CA 0.282 54.281 54.000 -0.002 0.000 0.938 206 D CB 0.988 41.786 40.800 -0.003 0.000 1.101 206 D HN 0.695 nan 8.370 nan 0.000 0.509 207 L N 2.877 124.097 121.223 -0.004 0.000 2.554 207 L HA -0.017 4.323 4.340 -0.000 0.000 0.225 207 L C 2.227 179.093 176.870 -0.006 0.000 1.104 207 L CA 0.067 54.902 54.840 -0.008 0.000 0.866 207 L CB -0.126 41.931 42.059 -0.003 0.000 1.047 207 L HN 0.325 nan 8.230 nan 0.000 0.468 208 S N -0.909 114.788 115.700 -0.004 0.000 2.398 208 S HA -0.125 4.345 4.470 -0.000 0.000 0.220 208 S C 2.099 176.697 174.600 -0.003 0.000 1.046 208 S CA 0.918 59.116 58.200 -0.003 0.000 0.953 208 S CB -0.729 62.471 63.200 -0.001 0.000 0.856 208 S HN 0.413 nan 8.310 nan 0.000 0.506 209 T N -0.870 113.683 114.554 -0.003 0.000 2.788 209 T HA -0.035 4.315 4.350 -0.000 0.000 0.268 209 T C 0.436 175.134 174.700 -0.004 0.000 1.044 209 T CA 1.601 63.699 62.100 -0.003 0.000 1.139 209 T CB -0.519 68.348 68.868 -0.002 0.000 0.867 209 T HN 0.431 nan 8.240 nan 0.000 0.454 210 D N 1.189 121.585 120.400 -0.007 0.000 2.381 210 D HA 0.344 4.984 4.640 -0.000 0.000 0.245 210 D C -2.472 173.821 176.300 -0.011 0.000 1.297 210 D CA -2.275 51.720 54.000 -0.008 0.000 0.931 210 D CB 1.729 42.524 40.800 -0.009 0.000 1.334 210 D HN -0.045 nan 8.370 nan 0.000 0.535 211 P HA -0.100 nan 4.420 nan 0.000 0.218 211 P C 1.578 178.871 177.300 -0.012 0.000 1.149 211 P CA 0.475 63.570 63.100 -0.010 0.000 0.817 211 P CB 0.573 32.270 31.700 -0.004 0.000 0.785 212 V N -0.674 119.234 119.914 -0.009 0.000 2.358 212 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 212 V C 2.340 178.424 176.094 -0.016 0.000 1.047 212 V CA 1.335 63.629 62.300 -0.009 0.000 1.035 212 V CB -1.160 30.660 31.823 -0.006 0.000 0.658 212 V HN 0.053 nan 8.190 nan 0.000 0.452 213 L N 0.930 122.143 121.223 -0.017 0.000 2.056 213 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 213 L C 2.509 179.358 176.870 -0.035 0.000 1.078 213 L CA 2.200 57.027 54.840 -0.022 0.000 0.749 213 L CB -0.872 41.175 42.059 -0.019 0.000 0.901 213 L HN 0.228 nan 8.230 nan 0.000 0.433 214 A N -1.687 121.109 122.820 -0.039 0.000 1.978 214 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 214 A C 2.243 179.776 177.584 -0.085 0.000 1.170 214 A CA 2.356 54.356 52.037 -0.062 0.000 0.636 214 A CB -1.141 17.828 19.000 -0.052 0.000 0.810 214 A HN 0.526 nan 8.150 nan 0.000 0.448 215 T N -0.214 114.306 114.554 -0.057 0.000 2.857 215 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 215 T C 1.694 176.363 174.700 -0.052 0.000 1.048 215 T CA 1.429 63.498 62.100 -0.052 0.000 1.139 215 T CB -0.209 68.647 68.868 -0.019 0.000 0.874 215 T HN 0.673 nan 8.240 nan 0.000 0.455 216 E N 1.190 121.366 120.200 -0.041 0.000 2.085 216 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 216 E C 2.310 178.881 176.600 -0.048 0.000 0.994 216 E CA 0.996 57.375 56.400 -0.035 0.000 0.801 216 E CB -0.060 29.625 29.700 -0.026 0.000 0.743 216 E HN 0.451 nan 8.360 nan 0.000 0.453 217 K N 0.431 120.790 120.400 -0.069 0.000 2.057 217 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 217 K C 2.190 178.722 176.600 -0.114 0.000 1.050 217 K CA 0.959 57.199 56.287 -0.078 0.000 0.935 217 K CB -0.080 32.361 32.500 -0.098 0.000 0.715 217 K HN 0.158 nan 8.250 nan 0.000 0.439 218 I N 1.729 122.167 120.570 -0.219 0.000 2.315 218 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 218 I C 1.760 177.812 176.117 -0.109 0.000 1.117 218 I CA 0.960 62.045 61.300 -0.359 0.000 1.404 218 I CB -0.374 37.286 38.000 -0.565 0.000 1.071 218 I HN 0.199 nan 8.210 nan 0.000 0.419 219 N N 0.843 119.506 118.700 -0.063 0.000 2.142 219 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 219 N C 1.900 177.380 175.510 -0.051 0.000 1.023 219 N CA 1.035 54.067 53.050 -0.031 0.000 0.852 219 N CB -0.410 38.070 38.487 -0.011 0.000 0.998 219 N HN 0.300 nan 8.380 nan 0.000 0.424 220 R N 0.017 120.497 120.500 -0.034 0.000 2.080 220 R HA -0.138 4.202 4.340 -0.000 0.000 0.236 220 R C 2.176 178.451 176.300 -0.042 0.000 1.137 220 R CA 1.308 57.388 56.100 -0.034 0.000 0.943 220 R CB -0.479 29.814 30.300 -0.013 0.000 0.846 220 R HN 0.188 nan 8.270 nan 0.000 0.431 221 F N 1.232 121.092 119.950 -0.151 0.000 2.095 221 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 221 F C 1.999 177.656 175.800 -0.238 0.000 1.104 221 F CA 1.397 59.301 58.000 -0.160 0.000 1.232 221 F CB -0.240 38.691 39.000 -0.115 0.000 0.987 221 F HN -0.003 nan 8.300 nan 0.000 0.475 222 I N 0.755 121.119 120.570 -0.344 0.000 2.226 222 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 222 I C 2.468 178.236 176.117 -0.582 0.000 1.100 222 I CA 1.438 62.379 61.300 -0.599 0.000 1.374 222 I CB -1.224 36.433 38.000 -0.571 0.000 1.057 222 I HN 0.237 nan 8.210 nan 0.000 0.413 223 K N 1.009 121.189 120.400 -0.367 0.000 2.148 223 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 223 K C 2.062 178.463 176.600 -0.332 0.000 1.050 223 K CA 1.218 57.331 56.287 -0.290 0.000 0.942 223 K CB 0.171 32.576 32.500 -0.159 0.000 0.724 223 K HN 0.254 nan 8.250 nan 0.000 0.446 224 A N 0.817 123.422 122.820 -0.359 0.000 1.898 224 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 224 A C 2.179 179.505 177.584 -0.430 0.000 1.181 224 A CA 1.814 53.656 52.037 -0.326 0.000 0.620 224 A CB -0.512 18.333 19.000 -0.259 0.000 0.819 224 A HN 0.227 nan 8.150 nan 0.000 0.442 225 V N -2.372 117.136 119.914 -0.676 0.000 2.599 225 V HA -0.053 4.067 4.120 -0.000 0.000 0.245 225 V C 2.283 177.968 176.094 -0.682 0.000 1.046 225 V CA 2.223 64.092 62.300 -0.718 0.000 1.065 225 V CB -1.245 29.892 31.823 -1.142 0.000 0.703 225 V HN 0.623 nan 8.190 nan 0.000 0.464 226 T N -2.581 111.466 114.554 -0.846 0.000 3.009 226 T HA 0.300 4.650 4.350 -0.000 0.000 0.258 226 T C 1.788 175.935 174.700 -0.922 0.000 1.063 226 T CA 0.999 62.396 62.100 -1.171 0.000 1.139 226 T CB -0.242 67.485 68.868 -1.903 0.000 0.890 226 T HN 1.748 nan 8.240 nan 0.000 0.471 227 G N 1.102 109.575 108.800 -0.545 0.000 2.221 227 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.265 227 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.265 227 G C -0.389 174.482 174.900 -0.048 0.000 1.041 227 G CA -0.041 44.909 45.100 -0.251 0.000 0.807 227 G HN 0.520 nan 8.290 nan 0.000 0.502 228 W N -0.032 121.141 121.300 -0.211 0.000 2.475 228 W HA 0.595 5.255 4.660 -0.000 0.000 0.317 228 W C 0.408 176.822 176.519 -0.175 0.000 1.046 228 W CA -2.257 54.942 57.345 -0.243 0.000 1.215 228 W CB 1.155 30.438 29.460 -0.295 0.000 1.335 228 W HN 0.124 nan 8.180 nan 0.000 0.471 229 K N 4.152 124.593 120.400 0.069 0.000 2.250 229 K HA 0.420 4.740 4.320 -0.000 0.000 0.285 229 K C -0.268 176.351 176.600 0.032 0.000 1.097 229 K CA 0.264 56.566 56.287 0.026 0.000 0.913 229 K CB 0.030 32.530 32.500 0.001 0.000 1.179 229 K HN 0.427 nan 8.250 nan 0.000 0.462 230 M N 2.461 122.095 119.600 0.057 0.000 2.572 230 M HA 0.209 4.689 4.480 -0.000 0.000 0.299 230 M C -0.436 175.913 176.300 0.082 0.000 1.205 230 M CA -1.057 54.294 55.300 0.085 0.000 0.876 230 M CB 1.878 34.575 32.600 0.161 0.000 1.728 230 M HN 0.442 nan 8.290 nan 0.000 0.458 231 N N 2.154 120.906 118.700 0.087 0.000 2.160 231 N HA 0.025 4.765 4.740 -0.000 0.000 0.283 231 N C -1.270 174.299 175.510 0.099 0.000 1.363 231 N CA 0.264 53.364 53.050 0.083 0.000 0.848 231 N CB -0.026 38.513 38.487 0.087 0.000 1.127 231 N HN 0.355 nan 8.380 nan 0.000 0.493 232 L N 3.239 124.505 121.223 0.072 0.000 2.371 232 L HA 0.551 4.891 4.340 -0.000 0.000 0.262 232 L C -2.316 174.588 176.870 0.057 0.000 1.054 232 L CA -2.165 52.717 54.840 0.071 0.000 0.924 232 L CB 0.675 42.761 42.059 0.044 0.000 1.295 232 L HN 0.238 nan 8.230 nan 0.000 0.441 233 P HA 0.094 nan 4.420 nan 0.000 0.267 233 P C 0.340 177.664 177.300 0.039 0.000 1.205 233 P CA 0.044 63.175 63.100 0.052 0.000 0.765 233 P CB 1.480 33.215 31.700 0.059 0.000 0.828 234 L N 0.858 122.098 121.223 0.028 0.000 2.554 234 L HA 0.171 4.511 4.340 -0.000 0.000 0.225 234 L C 1.319 178.198 176.870 0.015 0.000 1.104 234 L CA 0.076 54.927 54.840 0.017 0.000 0.866 234 L CB -0.275 41.792 42.059 0.013 0.000 1.047 234 L HN 0.395 nan 8.230 nan 0.000 0.468 235 E N 1.734 121.946 120.200 0.021 0.000 2.406 235 E HA 0.115 4.465 4.350 -0.000 0.000 0.258 235 E C 0.704 177.315 176.600 0.017 0.000 1.043 235 E CA -0.170 56.241 56.400 0.019 0.000 0.929 235 E CB 0.629 30.343 29.700 0.024 0.000 0.969 235 E HN 0.234 nan 8.360 nan 0.000 0.462 236 G N 2.769 111.576 108.800 0.011 0.000 2.732 236 G HA2 0.109 4.069 3.960 -0.000 0.000 0.244 236 G HA3 0.109 4.069 3.960 -0.000 0.000 0.244 236 G C -0.259 174.649 174.900 0.013 0.000 1.226 236 G CA -0.574 44.530 45.100 0.007 0.000 0.860 236 G HN 0.474 nan 8.290 nan 0.000 0.583 237 V N -0.655 119.266 119.914 0.012 0.000 3.267 237 V HA 0.536 4.656 4.120 -0.000 0.000 0.317 237 V C 0.670 176.770 176.094 0.010 0.000 1.131 237 V CA -0.690 61.621 62.300 0.018 0.000 1.031 237 V CB 2.012 33.852 31.823 0.029 0.000 1.159 237 V HN 0.871 nan 8.190 nan 0.000 0.454 238 S N 1.209 116.915 115.700 0.010 0.000 2.549 238 S HA 0.015 4.485 4.470 -0.000 0.000 0.286 238 S C 1.162 175.762 174.600 -0.001 0.000 1.314 238 S CA 0.559 58.761 58.200 0.003 0.000 1.062 238 S CB 1.085 64.285 63.200 -0.000 0.000 0.865 238 S HN 0.921 nan 8.310 nan 0.000 0.498 239 T N 1.562 116.114 114.554 -0.002 0.000 2.881 239 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 239 T C 1.348 176.045 174.700 -0.006 0.000 1.068 239 T CA 1.611 63.709 62.100 -0.003 0.000 1.131 239 T CB -0.453 68.414 68.868 -0.002 0.000 0.871 239 T HN 0.811 nan 8.240 nan 0.000 0.479 240 D N 0.237 120.632 120.400 -0.008 0.000 2.340 240 D HA 0.098 4.738 4.640 -0.000 0.000 0.220 240 D C 0.517 176.803 176.300 -0.025 0.000 1.039 240 D CA -0.067 53.925 54.000 -0.012 0.000 0.866 240 D CB -0.487 40.307 40.800 -0.010 0.000 0.913 240 D HN 0.149 nan 8.370 nan 0.000 0.523 241 S N -0.196 115.489 115.700 -0.025 0.000 2.558 241 S HA 0.213 4.683 4.470 -0.000 0.000 0.288 241 S C 1.310 175.865 174.600 -0.076 0.000 1.318 241 S CA 0.470 58.645 58.200 -0.042 0.000 1.056 241 S CB 1.099 64.289 63.200 -0.017 0.000 0.853 241 S HN 0.540 nan 8.310 nan 0.000 0.505 242 T N -0.530 113.930 114.554 -0.157 0.000 3.004 242 T HA 0.340 4.690 4.350 -0.000 0.000 0.266 242 T C 0.059 174.497 174.700 -0.437 0.000 0.986 242 T CA -0.290 61.638 62.100 -0.285 0.000 0.902 242 T CB 0.058 68.689 68.868 -0.395 0.000 1.118 242 T HN 0.433 nan 8.240 nan 0.000 0.522 243 L N 1.702 122.757 121.223 -0.280 0.000 2.493 243 L HA 0.585 4.925 4.340 -0.000 0.000 0.265 243 L C -2.122 174.774 176.870 0.042 0.000 0.954 243 L CA -0.971 53.765 54.840 -0.174 0.000 0.844 243 L CB 2.147 44.059 42.059 -0.245 0.000 1.302 243 L HN 0.225 nan 8.230 nan 0.000 0.405 244 L N 5.443 126.750 121.223 0.141 0.000 2.343 244 L HA 0.439 4.779 4.340 -0.000 0.000 0.278 244 L C -0.971 176.080 176.870 0.302 0.000 0.996 244 L CA -0.445 54.545 54.840 0.251 0.000 0.831 244 L CB 2.117 44.352 42.059 0.293 0.000 1.232 244 L HN 0.506 nan 8.230 nan 0.000 0.413 245 F N 3.995 124.075 119.950 0.217 0.000 2.405 245 F HA 0.449 4.976 4.527 -0.000 0.000 0.355 245 F C -0.138 175.775 175.800 0.189 0.000 1.121 245 F CA -0.369 57.752 58.000 0.201 0.000 1.112 245 F CB 0.876 40.058 39.000 0.302 0.000 1.126 245 F HN 0.468 nan 8.300 nan 0.000 0.481 246 N N 3.580 122.435 118.700 0.258 0.000 2.410 246 N HA 0.267 5.007 4.740 -0.000 0.000 0.287 246 N C -1.155 174.361 175.510 0.009 0.000 1.044 246 N CA -0.577 52.559 53.050 0.142 0.000 0.881 246 N CB 2.117 40.701 38.487 0.163 0.000 1.405 246 N HN 0.405 nan 8.380 nan 0.000 0.490 247 T N 2.048 116.606 114.554 0.006 0.000 2.829 247 T HA 0.455 4.805 4.350 -0.000 0.000 0.282 247 T C -0.716 173.872 174.700 -0.187 0.000 0.990 247 T CA -0.123 62.028 62.100 0.084 0.000 1.028 247 T CB 0.388 69.443 68.868 0.311 0.000 0.951 247 T HN 0.220 nan 8.240 nan 0.000 0.460 248 Y N 1.373 121.833 120.300 0.266 0.000 2.326 248 Y HA 0.527 5.077 4.550 -0.000 0.000 0.329 248 Y C -0.230 175.879 175.900 0.349 0.000 0.973 248 Y CA -1.036 57.251 58.100 0.311 0.000 1.162 248 Y CB 1.291 39.982 38.460 0.384 0.000 1.147 248 Y HN 0.318 nan 8.280 nan 0.000 0.456 249 V N 3.558 123.692 119.914 0.366 0.000 2.513 249 V HA 0.353 4.473 4.120 -0.000 0.000 0.299 249 V C -0.613 175.564 176.094 0.139 0.000 1.035 249 V CA -0.807 61.660 62.300 0.277 0.000 0.889 249 V CB 1.602 33.589 31.823 0.272 0.000 0.988 249 V HN 0.813 nan 8.190 nan 0.000 0.440 250 H N 4.652 123.602 119.070 -0.200 0.000 2.906 250 H HA 0.444 5.000 4.556 -0.000 0.000 0.324 250 H C -2.042 173.190 175.328 -0.160 0.000 0.973 250 H CA -0.578 55.162 56.048 -0.513 0.000 1.321 250 H CB 1.356 30.094 29.762 -1.707 0.000 1.535 250 H HN 0.612 nan 8.280 nan 0.000 0.518 251 F N 4.417 124.195 119.950 -0.286 0.000 2.443 251 F HA 0.364 4.891 4.527 -0.000 0.000 0.335 251 F C -0.944 174.609 175.800 -0.412 0.000 1.104 251 F CA -0.358 57.463 58.000 -0.298 0.000 1.013 251 F CB 1.605 40.477 39.000 -0.213 0.000 1.136 251 F HN 0.542 nan 8.300 nan 0.000 0.470 252 Q N 4.057 123.219 119.800 -1.062 0.000 2.310 252 Q HA 0.502 4.842 4.340 -0.000 0.000 0.270 252 Q C -0.674 174.798 176.000 -0.880 0.000 1.025 252 Q CA -0.969 54.393 55.803 -0.735 0.000 0.772 252 Q CB 2.193 30.622 28.738 -0.515 0.000 1.253 252 Q HN 0.932 nan 8.270 nan 0.000 0.450 253 G N 1.084 109.605 108.800 -0.464 0.000 2.415 253 G HA2 0.526 4.486 3.960 -0.000 0.000 0.327 253 G HA3 0.526 4.486 3.960 -0.000 0.000 0.327 253 G C -0.754 174.051 174.900 -0.159 0.000 1.182 253 G CA -0.239 44.712 45.100 -0.248 0.000 0.924 253 G HN 0.359 nan 8.290 nan 0.000 0.470 254 T N 4.000 118.473 114.554 -0.136 0.000 2.791 254 T HA 0.323 4.673 4.350 -0.000 0.000 0.288 254 T C 0.442 175.091 174.700 -0.085 0.000 0.999 254 T CA -0.418 61.626 62.100 -0.095 0.000 0.952 254 T CB 0.830 69.651 68.868 -0.077 0.000 0.938 254 T HN 0.332 nan 8.240 nan 0.000 0.444 255 M N 3.769 123.297 119.600 -0.120 0.000 2.201 255 M HA 0.280 4.760 4.480 -0.000 0.000 0.345 255 M C 0.561 176.881 176.300 0.033 0.000 1.352 255 M CA -0.183 54.989 55.300 -0.213 0.000 1.218 255 M CB -0.038 32.199 32.600 -0.605 0.000 1.512 255 M HN 0.340 nan 8.290 nan 0.000 0.447 256 R N 1.156 121.716 120.500 0.100 0.000 2.491 256 R HA 0.296 4.636 4.340 -0.000 0.000 0.283 256 R C 0.987 177.484 176.300 0.328 0.000 1.072 256 R CA 1.159 57.362 56.100 0.172 0.000 1.048 256 R CB 0.536 30.906 30.300 0.117 0.000 0.983 256 R HN 1.002 nan 8.270 nan 0.000 0.450 257 G N 3.169 112.120 108.800 0.251 0.000 2.143 257 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.248 257 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.248 257 G C -0.263 174.744 174.900 0.179 0.000 0.991 257 G CA -0.071 45.148 45.100 0.199 0.000 0.689 257 G HN 0.533 nan 8.290 nan 0.000 0.522 258 F N 1.401 121.382 119.950 0.052 0.000 2.495 258 F HA 0.639 5.166 4.527 -0.000 0.000 0.327 258 F C 0.721 176.535 175.800 0.023 0.000 1.103 258 F CA -0.263 57.761 58.000 0.040 0.000 0.949 258 F CB 2.343 41.360 39.000 0.028 0.000 1.142 258 F HN 0.219 nan 8.300 nan 0.000 0.457 259 S N 1.744 117.521 115.700 0.129 0.000 2.566 259 S HA 0.415 4.885 4.470 -0.000 0.000 0.298 259 S C -0.953 173.696 174.600 0.082 0.000 1.083 259 S CA -1.080 57.171 58.200 0.085 0.000 0.978 259 S CB 1.862 65.086 63.200 0.039 0.000 1.073 259 S HN 0.679 nan 8.310 nan 0.000 0.491 260 Q N 1.513 121.355 119.800 0.071 0.000 2.313 260 Q HA 0.356 4.696 4.340 -0.000 0.000 0.266 260 Q C -0.925 175.118 176.000 0.073 0.000 0.989 260 Q CA -0.335 55.511 55.803 0.071 0.000 0.890 260 Q CB 0.325 29.097 28.738 0.057 0.000 1.200 260 Q HN 0.679 nan 8.270 nan 0.000 0.396 261 L N 6.449 127.729 121.223 0.095 0.000 2.417 261 L HA 0.337 4.677 4.340 -0.000 0.000 0.268 261 L C -1.764 175.208 176.870 0.171 0.000 1.158 261 L CA -2.078 52.837 54.840 0.125 0.000 0.819 261 L CB 0.344 42.475 42.059 0.120 0.000 1.112 261 L HN 0.672 nan 8.230 nan 0.000 0.458 262 P HA 0.058 nan 4.420 nan 0.000 0.264 262 P C 0.322 177.654 177.300 0.054 0.000 1.183 262 P CA 0.551 63.702 63.100 0.086 0.000 0.763 262 P CB 0.530 32.269 31.700 0.065 0.000 0.807 263 G N 1.706 110.494 108.800 -0.020 0.000 2.645 263 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.239 263 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.239 263 G C -0.278 174.505 174.900 -0.194 0.000 1.331 263 G CA -0.086 44.940 45.100 -0.123 0.000 0.890 263 G HN 0.753 nan 8.290 nan 0.000 0.572 264 V N -2.976 116.748 119.914 -0.316 0.000 3.166 264 V HA 1.000 5.120 4.120 -0.000 0.000 0.317 264 V C 0.055 175.800 176.094 -0.582 0.000 1.136 264 V CA -0.716 61.422 62.300 -0.271 0.000 1.035 264 V CB 2.040 33.796 31.823 -0.111 0.000 1.110 264 V HN 1.316 nan 8.190 nan 0.000 0.450 265 H N -0.607 118.474 119.070 0.018 0.000 3.012 265 H HA 0.475 5.031 4.556 -0.000 0.000 0.367 265 H C -1.259 174.081 175.328 0.021 0.000 1.211 265 H CA -0.667 55.400 56.048 0.031 0.000 1.139 265 H CB 2.114 31.911 29.762 0.059 0.000 1.838 265 H HN 0.745 nan 8.280 nan 0.000 0.550 266 E N 1.662 121.929 120.200 0.113 0.000 2.316 266 E HA 0.090 4.440 4.350 -0.000 0.000 0.275 266 E C -0.889 175.717 176.600 0.009 0.000 1.029 266 E CA 0.015 56.373 56.400 -0.071 0.000 0.871 266 E CB 1.182 30.759 29.700 -0.204 0.000 1.022 266 E HN 0.316 nan 8.360 nan 0.000 0.418 267 F N 3.383 123.205 119.950 -0.213 0.000 2.445 267 F HA 0.274 4.801 4.527 0.000 0.000 0.348 267 F C -1.063 174.638 175.800 -0.165 0.000 1.125 267 F CA -0.983 56.975 58.000 -0.069 0.000 0.983 267 F CB 0.727 39.734 39.000 0.011 0.000 1.198 267 F HN 0.375 nan 8.300 nan 0.000 0.436 268 W N 7.157 128.332 121.300 -0.209 0.000 2.507 268 W HA 0.325 4.985 4.660 -0.000 0.000 0.334 268 W C 0.731 177.185 176.519 -0.108 0.000 1.165 268 W CA -0.509 56.773 57.345 -0.105 0.000 1.460 268 W CB 0.800 30.190 29.460 -0.117 0.000 1.404 268 W HN 0.351 nan 8.180 nan 0.000 0.435 269 V N 2.433 122.482 119.914 0.224 0.000 2.407 269 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 269 V C 0.634 176.830 176.094 0.170 0.000 1.055 269 V CA 2.339 64.777 62.300 0.229 0.000 1.049 269 V CB -0.727 31.209 31.823 0.187 0.000 0.662 269 V HN 0.682 nan 8.190 nan 0.000 0.455 270 D N -4.545 115.975 120.400 0.199 0.000 2.838 270 D HA 0.125 4.765 4.640 -0.000 0.000 0.334 270 D C 0.450 176.876 176.300 0.210 0.000 1.315 270 D CA -0.515 53.579 54.000 0.156 0.000 0.917 270 D CB -0.154 40.710 40.800 0.106 0.000 1.435 270 D HN -0.239 nan 8.370 nan 0.000 0.517 271 N N -1.045 117.718 118.700 0.104 0.000 2.258 271 N HA -0.107 4.633 4.740 -0.000 0.000 0.187 271 N C 0.297 175.900 175.510 0.154 0.000 1.012 271 N CA 1.175 54.255 53.050 0.049 0.000 0.870 271 N CB -0.027 38.454 38.487 -0.011 0.000 0.977 271 N HN 0.278 nan 8.380 nan 0.000 0.434 272 S N -0.081 115.732 115.700 0.189 0.000 2.749 272 S HA 0.311 4.781 4.470 -0.000 0.000 0.246 272 S C -0.453 174.262 174.600 0.192 0.000 1.023 272 S CA -0.271 58.042 58.200 0.189 0.000 1.012 272 S CB 0.857 64.121 63.200 0.105 0.000 0.942 272 S HN 0.078 nan 8.310 nan 0.000 0.531 273 I N 0.941 121.649 120.570 0.230 0.000 2.548 273 I HA 0.374 4.544 4.170 -0.000 0.000 0.287 273 I C -0.371 175.770 176.117 0.040 0.000 1.103 273 I CA 0.058 61.429 61.300 0.118 0.000 1.049 273 I CB 2.173 40.226 38.000 0.089 0.000 1.232 273 I HN -0.116 nan 8.210 nan 0.000 0.429 274 S N 4.171 119.765 115.700 -0.177 0.000 2.578 274 S HA 0.887 5.357 4.470 -0.000 0.000 0.301 274 S C -0.747 173.725 174.600 -0.213 0.000 1.091 274 S CA -0.681 57.246 58.200 -0.455 0.000 1.032 274 S CB 2.075 64.761 63.200 -0.857 0.000 1.064 274 S HN 0.460 nan 8.310 nan 0.000 0.508 275 V N 0.245 120.063 119.914 -0.160 0.000 2.638 275 V HA 0.676 4.796 4.120 -0.000 0.000 0.306 275 V C -0.335 175.713 176.094 -0.076 0.000 1.052 275 V CA -0.751 61.499 62.300 -0.082 0.000 0.885 275 V CB 1.554 33.360 31.823 -0.028 0.000 0.999 275 V HN 0.665 nan 8.190 nan 0.000 0.424 276 S N 3.673 119.326 115.700 -0.078 0.000 2.474 276 S HA 0.742 5.212 4.470 -0.000 0.000 0.276 276 S C -0.023 174.559 174.600 -0.030 0.000 1.227 276 S CA -0.280 57.887 58.200 -0.055 0.000 1.050 276 S CB 0.963 64.121 63.200 -0.070 0.000 0.939 276 S HN 1.582 nan 8.310 nan 0.000 0.490 277 V N 1.316 121.236 119.914 0.009 0.000 3.049 277 V HA 0.774 4.894 4.120 -0.000 0.000 0.309 277 V C -3.006 173.128 176.094 0.066 0.000 1.148 277 V CA -2.918 59.387 62.300 0.008 0.000 0.990 277 V CB 1.976 33.779 31.823 -0.033 0.000 1.039 277 V HN 0.540 nan 8.190 nan 0.000 0.430 278 P HA 0.416 nan 4.420 nan 0.000 0.281 278 P C -0.920 176.452 177.300 0.120 0.000 1.252 278 P CA -0.178 62.981 63.100 0.099 0.000 0.778 278 P CB 0.993 32.722 31.700 0.047 0.000 0.895 279 M N 3.523 123.235 119.600 0.187 0.000 2.528 279 M HA 0.528 5.008 4.480 -0.000 0.000 0.318 279 M C 0.570 176.919 176.300 0.080 0.000 1.195 279 M CA -0.904 54.457 55.300 0.100 0.000 1.000 279 M CB 1.281 33.881 32.600 0.000 0.000 1.615 279 M HN 0.332 nan 8.290 nan 0.000 0.469 280 I N -1.320 119.296 120.570 0.077 0.000 2.646 280 I HA 0.802 4.972 4.170 -0.000 0.000 0.299 280 I C -0.479 175.727 176.117 0.149 0.000 1.036 280 I CA -0.620 60.752 61.300 0.119 0.000 1.074 280 I CB 2.191 40.279 38.000 0.148 0.000 1.258 280 I HN 0.633 nan 8.210 nan 0.000 0.430 281 S N 2.931 118.705 115.700 0.123 0.000 2.547 281 S HA 0.906 5.376 4.470 -0.000 0.000 0.281 281 S C -0.705 173.708 174.600 -0.312 0.000 1.118 281 S CA -0.230 57.965 58.200 -0.008 0.000 0.947 281 S CB 1.767 64.931 63.200 -0.061 0.000 1.053 281 S HN 1.262 nan 8.310 nan 0.000 0.482 282 G N 1.862 110.189 108.800 -0.789 0.000 2.682 282 G HA2 0.581 4.541 3.960 -0.000 0.000 0.300 282 G HA3 0.581 4.541 3.960 -0.000 0.000 0.300 282 G C -1.223 173.307 174.900 -0.616 0.000 1.391 282 G CA -0.525 43.726 45.100 -1.416 0.000 0.990 282 G HN 0.693 nan 8.290 nan 0.000 0.501 283 T N 0.508 114.840 114.554 -0.370 0.000 2.767 283 T HA 0.786 5.136 4.350 -0.000 0.000 0.284 283 T C 0.394 174.950 174.700 -0.241 0.000 0.973 283 T CA 0.097 62.076 62.100 -0.202 0.000 0.996 283 T CB 1.531 70.303 68.868 -0.159 0.000 0.927 283 T HN 1.144 nan 8.240 nan 0.000 0.456 284 G N 1.926 110.444 108.800 -0.469 0.000 2.600 284 G HA2 0.414 4.374 3.960 -0.000 0.000 0.293 284 G HA3 0.414 4.374 3.960 -0.000 0.000 0.293 284 G C -1.539 172.743 174.900 -1.030 0.000 1.408 284 G CA -0.906 43.693 45.100 -0.836 0.000 0.782 284 G HN 0.453 nan 8.290 nan 0.000 0.482 285 N N 0.747 118.986 118.700 -0.769 0.000 2.602 285 N HA 0.434 5.174 4.740 -0.000 0.000 0.238 285 N C -1.078 174.230 175.510 -0.337 0.000 1.084 285 N CA 0.129 52.926 53.050 -0.423 0.000 0.952 285 N CB 0.090 38.478 38.487 -0.166 0.000 1.244 285 N HN 0.301 nan 8.380 nan 0.000 0.512 286 F N -0.223 119.793 119.950 0.110 0.000 2.523 286 F HA 0.387 4.914 4.527 -0.000 0.000 0.329 286 F C 1.005 176.909 175.800 0.172 0.000 1.061 286 F CA -1.258 56.829 58.000 0.145 0.000 0.967 286 F CB 1.514 40.607 39.000 0.155 0.000 1.218 286 F HN -0.025 nan 8.300 nan 0.000 0.480 287 Q N 0.725 120.776 119.800 0.419 0.000 2.293 287 Q HA 0.333 4.673 4.340 -0.000 0.000 0.251 287 Q C -1.229 175.039 176.000 0.446 0.000 0.930 287 Q CA -0.185 55.854 55.803 0.393 0.000 0.893 287 Q CB 1.366 30.342 28.738 0.396 0.000 1.215 287 Q HN 0.595 nan 8.270 nan 0.000 0.425 288 H N 1.383 120.656 119.070 0.339 0.000 3.038 288 H HA 0.549 5.105 4.556 -0.000 0.000 0.362 288 H C -1.994 173.552 175.328 0.365 0.000 1.167 288 H CA -0.741 55.441 56.048 0.223 0.000 1.197 288 H CB 1.007 30.851 29.762 0.137 0.000 1.840 288 H HN 0.713 nan 8.280 nan 0.000 0.540 289 W N 2.454 123.486 121.300 -0.447 0.000 3.066 289 W HA 0.629 5.289 4.660 -0.000 0.000 0.330 289 W C -1.940 174.393 176.519 -0.310 0.000 1.253 289 W CA -1.041 56.162 57.345 -0.237 0.000 1.187 289 W CB 0.975 30.398 29.460 -0.062 0.000 1.434 289 W HN 0.617 nan 8.180 nan 0.000 0.572 290 S N 1.473 117.227 115.700 0.091 0.000 2.552 290 S HA 0.220 4.690 4.470 -0.000 0.000 0.314 290 S C -1.226 173.388 174.600 0.024 0.000 1.099 290 S CA -0.495 57.710 58.200 0.008 0.000 1.070 290 S CB 0.695 63.954 63.200 0.099 0.000 0.998 290 S HN 0.523 nan 8.310 nan 0.000 0.474 291 D N 4.672 124.916 120.400 -0.259 0.000 2.453 291 D HA 0.327 4.967 4.640 -0.000 0.000 0.223 291 D C 1.061 177.090 176.300 -0.451 0.000 1.183 291 D CA -0.160 53.573 54.000 -0.445 0.000 0.933 291 D CB 1.080 41.190 40.800 -1.150 0.000 1.038 291 D HN 0.661 nan 8.370 nan 0.000 0.513 292 A N 3.712 126.397 122.820 -0.224 0.000 2.066 292 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 292 A C 1.948 179.421 177.584 -0.186 0.000 1.157 292 A CA 0.970 52.898 52.037 -0.182 0.000 0.670 292 A CB -0.112 18.847 19.000 -0.067 0.000 0.804 292 A HN 0.543 nan 8.150 nan 0.000 0.453 293 Q N 0.652 120.345 119.800 -0.178 0.000 2.050 293 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 293 Q C 1.033 176.935 176.000 -0.162 0.000 0.980 293 Q CA 2.019 57.739 55.803 -0.138 0.000 0.840 293 Q CB -0.082 28.593 28.738 -0.105 0.000 0.898 293 Q HN 0.615 nan 8.270 nan 0.000 0.424 294 N N -0.058 118.489 118.700 -0.255 0.000 2.204 294 N HA 0.075 4.815 4.740 -0.000 0.000 0.219 294 N C -0.870 174.514 175.510 -0.211 0.000 1.151 294 N CA 0.250 53.195 53.050 -0.175 0.000 0.867 294 N CB 0.637 39.110 38.487 -0.023 0.000 1.043 294 N HN 0.216 nan 8.380 nan 0.000 0.516 295 N N 0.730 119.165 118.700 -0.441 0.000 2.727 295 N HA -0.199 4.541 4.740 -0.000 0.000 0.251 295 N C -0.986 174.221 175.510 -0.505 0.000 1.040 295 N CA 0.888 53.554 53.050 -0.640 0.000 0.712 295 N CB -1.941 36.382 38.487 -0.274 0.000 0.912 295 N HN 0.494 nan 8.380 nan 0.000 0.545 296 F N -3.658 115.977 119.950 -0.526 0.000 2.711 296 F HA 0.863 5.390 4.527 -0.000 0.000 0.313 296 F C -0.328 175.465 175.800 -0.011 0.000 1.141 296 F CA -1.054 56.869 58.000 -0.128 0.000 0.941 296 F CB 1.175 40.071 39.000 -0.172 0.000 1.349 296 F HN -0.156 nan 8.300 nan 0.000 0.464 297 S N 0.497 116.362 115.700 0.275 0.000 2.599 297 S HA 0.860 5.330 4.470 -0.000 0.000 0.287 297 S C -1.391 173.099 174.600 -0.184 0.000 1.105 297 S CA -0.738 57.433 58.200 -0.048 0.000 0.899 297 S CB 2.211 65.401 63.200 -0.017 0.000 1.100 297 S HN 0.619 nan 8.310 nan 0.000 0.482 298 V N 1.600 121.092 119.914 -0.703 0.000 2.789 298 V HA 0.687 4.807 4.120 -0.000 0.000 0.311 298 V C -0.536 175.114 176.094 -0.740 0.000 1.073 298 V CA -0.608 61.235 62.300 -0.763 0.000 0.921 298 V CB 2.286 33.387 31.823 -1.203 0.000 1.009 298 V HN 0.941 nan 8.190 nan 0.000 0.426 299 T N 1.948 116.331 114.554 -0.286 0.000 2.876 299 T HA 0.480 4.830 4.350 -0.000 0.000 0.289 299 T C -0.843 173.851 174.700 -0.009 0.000 1.014 299 T CA -0.373 61.706 62.100 -0.035 0.000 0.986 299 T CB 1.429 70.361 68.868 0.106 0.000 1.021 299 T HN 0.711 nan 8.240 nan 0.000 0.458 300 C N 3.424 122.784 119.300 0.100 0.000 2.437 300 C HA 0.638 5.098 4.460 -0.000 0.000 0.307 300 C C 0.350 175.398 174.990 0.096 0.000 1.093 300 C CA -1.113 57.986 59.018 0.135 0.000 1.463 300 C CB -0.744 27.150 27.740 0.257 0.000 1.926 300 C HN 0.819 nan 8.230 nan 0.000 0.420 301 V N 1.653 121.521 119.914 -0.076 0.000 2.472 301 V HA 0.736 4.855 4.120 -0.000 0.000 0.290 301 V C -2.765 173.316 176.094 -0.022 0.000 1.037 301 V CA -2.284 59.879 62.300 -0.230 0.000 0.908 301 V CB 1.202 32.584 31.823 -0.735 0.000 0.985 301 V HN 0.542 nan 8.190 nan 0.000 0.454 302 P HA 0.460 nan 4.420 nan 0.000 0.278 302 P C -0.735 176.602 177.300 0.062 0.000 1.238 302 P CA -0.252 62.919 63.100 0.117 0.000 0.794 302 P CB 0.644 32.449 31.700 0.175 0.000 0.955 303 L N 2.389 123.650 121.223 0.064 0.000 2.502 303 L HA 0.564 4.904 4.340 -0.000 0.000 0.247 303 L C 0.795 177.700 176.870 0.059 0.000 1.180 303 L CA -0.274 54.594 54.840 0.047 0.000 0.956 303 L CB 0.053 42.151 42.059 0.064 0.000 1.282 303 L HN 0.725 nan 8.230 nan 0.000 0.470 304 G N 1.689 110.527 108.800 0.062 0.000 2.660 304 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.247 304 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.247 304 G C 0.427 175.369 174.900 0.070 0.000 1.328 304 G CA 0.114 45.250 45.100 0.059 0.000 0.884 304 G HN 0.737 nan 8.290 nan 0.000 0.531 305 E N -0.460 119.776 120.200 0.060 0.000 2.358 305 E HA 0.116 4.466 4.350 -0.000 0.000 0.195 305 E C 2.171 178.808 176.600 0.061 0.000 1.010 305 E CA 1.139 57.577 56.400 0.062 0.000 0.856 305 E CB 0.190 29.920 29.700 0.050 0.000 0.795 305 E HN 0.516 nan 8.360 nan 0.000 0.504 306 R N 0.677 121.208 120.500 0.051 0.000 2.076 306 R HA 0.329 4.669 4.340 -0.000 0.000 0.203 306 R C 0.798 177.125 176.300 0.045 0.000 1.229 306 R CA 0.479 56.602 56.100 0.038 0.000 1.094 306 R CB 0.025 30.335 30.300 0.016 0.000 0.991 306 R HN 0.123 nan 8.270 nan 0.000 0.471 307 A N 1.170 124.019 122.820 0.049 0.000 2.448 307 A HA 0.298 4.618 4.320 -0.000 0.000 0.239 307 A C -0.477 177.173 177.584 0.109 0.000 1.080 307 A CA 0.605 52.682 52.037 0.066 0.000 0.779 307 A CB 0.418 19.467 19.000 0.081 0.000 1.026 307 A HN 0.283 nan 8.150 nan 0.000 0.499 308 T N 1.592 116.235 114.554 0.149 0.000 3.071 308 T HA 0.408 4.758 4.350 -0.000 0.000 0.311 308 T C -0.913 173.892 174.700 0.175 0.000 1.042 308 T CA -0.356 61.851 62.100 0.179 0.000 1.028 308 T CB 1.040 70.071 68.868 0.271 0.000 1.068 308 T HN 0.659 nan 8.240 nan 0.000 0.451 309 L N 4.197 125.482 121.223 0.103 0.000 2.281 309 L HA 0.633 4.973 4.340 -0.000 0.000 0.285 309 L C -1.297 175.638 176.870 0.109 0.000 1.074 309 L CA -0.332 54.564 54.840 0.093 0.000 0.817 309 L CB 0.188 42.245 42.059 -0.004 0.000 1.168 309 L HN 0.513 nan 8.230 nan 0.000 0.434 310 L N 6.238 127.566 121.223 0.175 0.000 2.309 310 L HA 0.554 4.894 4.340 -0.000 0.000 0.282 310 L C -0.762 176.217 176.870 0.181 0.000 1.036 310 L CA -0.001 54.945 54.840 0.176 0.000 0.806 310 L CB 1.613 43.820 42.059 0.247 0.000 1.220 310 L HN 0.514 nan 8.230 nan 0.000 0.429 311 L N 4.800 126.079 121.223 0.094 0.000 2.406 311 L HA 0.530 4.870 4.340 -0.000 0.000 0.270 311 L C -1.133 175.751 176.870 0.023 0.000 0.982 311 L CA -0.349 54.534 54.840 0.072 0.000 0.843 311 L CB 1.613 43.630 42.059 -0.070 0.000 1.225 311 L HN 0.374 nan 8.230 nan 0.000 0.412 312 I N 2.797 123.404 120.570 0.061 0.000 2.354 312 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 312 I C -0.091 176.046 176.117 0.033 0.000 0.989 312 I CA -0.120 61.147 61.300 -0.056 0.000 1.188 312 I CB 1.565 39.391 38.000 -0.290 0.000 1.342 312 I HN 0.521 nan 8.210 nan 0.000 0.457 313 Q N 7.331 127.166 119.800 0.058 0.000 2.327 313 Q HA 0.419 4.759 4.340 -0.000 0.000 0.270 313 Q C -2.477 173.622 176.000 0.166 0.000 1.022 313 Q CA -1.862 54.014 55.803 0.122 0.000 0.773 313 Q CB 2.551 31.353 28.738 0.106 0.000 1.251 313 Q HN 0.308 nan 8.270 nan 0.000 0.457 314 P HA 0.042 nan 4.420 nan 0.000 0.276 314 P C -0.015 177.418 177.300 0.222 0.000 1.230 314 P CA -0.079 63.123 63.100 0.172 0.000 0.776 314 P CB 0.919 32.663 31.700 0.074 0.000 0.888 315 H N 0.522 119.624 119.070 0.053 0.000 2.460 315 H HA -0.062 4.494 4.556 -0.000 0.000 0.297 315 H C 0.847 176.180 175.328 0.008 0.000 1.103 315 H CA 0.678 56.739 56.048 0.022 0.000 1.292 315 H CB -0.169 29.597 29.762 0.007 0.000 1.376 315 H HN 0.463 nan 8.280 nan 0.000 0.531 316 C N -0.866 118.514 119.300 0.133 0.000 2.888 316 C HA 0.346 4.806 4.460 -0.000 0.000 0.308 316 C C 1.510 176.526 174.990 0.043 0.000 1.213 316 C CA -1.003 58.051 59.018 0.061 0.000 1.461 316 C CB -0.192 27.578 27.740 0.050 0.000 1.934 316 C HN 0.243 nan 8.230 nan 0.000 0.474 317 I N 3.406 123.989 120.570 0.022 0.000 2.439 317 I HA -0.055 4.115 4.170 -0.000 0.000 0.251 317 I C 2.479 178.609 176.117 0.021 0.000 1.139 317 I CA 1.932 63.246 61.300 0.022 0.000 1.438 317 I CB -0.448 37.560 38.000 0.014 0.000 1.085 317 I HN 0.820 nan 8.210 nan 0.000 0.427 318 S N -0.525 115.183 115.700 0.015 0.000 2.547 318 S HA -0.078 4.392 4.470 -0.000 0.000 0.235 318 S C 1.360 175.965 174.600 0.008 0.000 0.980 318 S CA 0.767 58.974 58.200 0.011 0.000 0.941 318 S CB -0.398 62.806 63.200 0.007 0.000 0.763 318 S HN 0.405 nan 8.310 nan 0.000 0.532 319 D N 0.616 121.023 120.400 0.012 0.000 2.339 319 D HA 0.203 4.843 4.640 -0.000 0.000 0.217 319 D C 1.473 177.769 176.300 -0.008 0.000 1.050 319 D CA -0.074 53.928 54.000 0.004 0.000 0.856 319 D CB 0.071 40.880 40.800 0.014 0.000 0.922 319 D HN 0.265 nan 8.370 nan 0.000 0.518 320 L N 1.405 122.629 121.223 0.000 0.000 1.997 320 L HA -0.235 4.105 4.340 -0.000 0.000 0.216 320 L C 1.475 178.327 176.870 -0.031 0.000 1.074 320 L CA 1.963 56.797 54.840 -0.010 0.000 0.763 320 L CB -0.422 41.646 42.059 0.016 0.000 0.890 320 L HN -0.126 nan 8.230 nan 0.000 0.434 321 D N -0.785 119.605 120.400 -0.016 0.000 2.127 321 D HA -0.260 4.380 4.640 -0.000 0.000 0.190 321 D C 2.314 178.590 176.300 -0.040 0.000 1.000 321 D CA 1.724 55.714 54.000 -0.018 0.000 0.839 321 D CB -0.317 40.477 40.800 -0.011 0.000 0.955 321 D HN 0.318 nan 8.370 nan 0.000 0.446 322 R N 0.550 121.025 120.500 -0.042 0.000 2.083 322 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 322 R C 2.229 178.468 176.300 -0.102 0.000 1.137 322 R CA 1.166 57.234 56.100 -0.053 0.000 0.951 322 R CB -0.353 29.926 30.300 -0.036 0.000 0.851 322 R HN 0.075 nan 8.270 nan 0.000 0.434 323 V N 1.103 120.935 119.914 -0.137 0.000 2.343 323 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 323 V C 2.354 178.208 176.094 -0.400 0.000 1.051 323 V CA 2.195 64.325 62.300 -0.283 0.000 1.036 323 V CB -0.590 31.052 31.823 -0.302 0.000 0.654 323 V HN 0.488 nan 8.190 nan 0.000 0.451 324 E N 0.440 120.473 120.200 -0.278 0.000 2.031 324 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 324 E C 2.272 178.789 176.600 -0.138 0.000 0.994 324 E CA 1.477 57.721 56.400 -0.260 0.000 0.800 324 E CB -0.280 29.398 29.700 -0.036 0.000 0.752 324 E HN 0.534 nan 8.360 nan 0.000 0.447 325 A N 0.875 123.661 122.820 -0.057 0.000 1.908 325 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 325 A C 2.130 179.677 177.584 -0.061 0.000 1.181 325 A CA 1.387 53.417 52.037 -0.011 0.000 0.627 325 A CB -0.625 18.366 19.000 -0.015 0.000 0.818 325 A HN 0.381 nan 8.150 nan 0.000 0.445 326 L N -0.372 120.767 121.223 -0.139 0.000 2.072 326 L HA -0.071 4.269 4.340 -0.000 0.000 0.205 326 L C 2.451 179.188 176.870 -0.222 0.000 1.079 326 L CA 1.728 56.476 54.840 -0.154 0.000 0.752 326 L CB -0.218 41.748 42.059 -0.156 0.000 0.906 326 L HN 0.288 nan 8.230 nan 0.000 0.436 327 I N -2.097 118.219 120.570 -0.424 0.000 2.852 327 I HA -0.032 4.138 4.170 -0.000 0.000 0.264 327 I C 1.552 177.654 176.117 -0.025 0.000 1.179 327 I CA 0.380 61.371 61.300 -0.514 0.000 1.480 327 I CB -1.134 36.187 38.000 -1.132 0.000 1.111 327 I HN 0.144 nan 8.210 nan 0.000 0.441 328 F N 0.824 120.740 119.950 -0.057 0.000 2.898 328 F HA 0.317 4.844 4.527 0.000 0.000 0.290 328 F C 1.301 176.928 175.800 -0.288 0.000 1.195 328 F CA -0.431 57.542 58.000 -0.046 0.000 1.387 328 F CB -0.018 39.041 39.000 0.099 0.000 0.976 328 F HN 0.218 nan 8.300 nan 0.000 0.510 332 L N 1.279 122.483 121.223 -0.033 0.000 2.552 332 L HA 0.216 4.556 4.340 -0.000 0.000 0.227 332 L C 0.634 177.427 176.870 -0.129 0.000 1.146 332 L CA 0.319 55.143 54.840 -0.027 0.000 0.858 332 L CB -0.224 41.828 42.059 -0.011 0.000 0.969 332 L HN 0.068 nan 8.230 nan 0.000 0.451 333 L N 0.305 121.391 121.223 -0.228 0.000 3.781 333 L HA -0.296 4.044 4.340 -0.000 0.000 0.426 333 L C 1.595 178.054 176.870 -0.685 0.000 1.197 333 L CA 0.579 55.066 54.840 -0.588 0.000 0.907 333 L CB -1.952 39.843 42.059 -0.441 0.000 1.812 333 L HN 0.498 nan 8.230 nan 0.000 0.956 334 T N -4.457 109.857 114.554 -0.399 0.000 3.085 334 T HA -0.089 4.261 4.350 -0.000 0.000 0.263 334 T C 1.366 175.963 174.700 -0.172 0.000 1.127 334 T CA 0.591 62.552 62.100 -0.232 0.000 1.103 334 T CB -0.254 68.564 68.868 -0.083 0.000 0.921 334 T HN 0.701 nan 8.240 nan 0.000 0.510 335 W N 1.175 122.482 121.300 0.012 0.000 2.699 335 W HA 0.326 4.986 4.660 0.000 0.000 0.249 335 W C 0.193 176.729 176.519 0.028 0.000 1.280 335 W CA -0.797 56.574 57.345 0.042 0.000 1.345 335 W CB -0.837 28.723 29.460 0.165 0.000 1.128 335 W HN 0.168 nan 8.180 nan 0.000 0.642 336 I N 3.285 123.658 120.570 -0.329 0.000 2.725 336 I HA -0.070 4.100 4.170 -0.000 0.000 0.296 336 I C 0.253 176.185 176.117 -0.308 0.000 1.155 336 I CA 1.138 62.310 61.300 -0.213 0.000 1.450 336 I CB -0.234 37.529 38.000 -0.395 0.000 1.478 336 I HN -0.101 nan 8.210 nan 0.000 0.642 337 E N 5.119 124.922 120.200 -0.662 0.000 2.249 337 E HA 0.199 4.549 4.350 -0.000 0.000 0.280 337 E C -0.391 175.895 176.600 -0.523 0.000 1.016 337 E CA -0.617 55.389 56.400 -0.657 0.000 0.830 337 E CB 0.953 30.125 29.700 -0.880 0.000 1.081 337 E HN 0.347 nan 8.360 nan 0.000 0.395 338 N N 4.121 122.674 118.700 -0.245 0.000 2.801 338 N HA 0.209 4.949 4.740 -0.000 0.000 0.235 338 N C -2.324 173.154 175.510 -0.053 0.000 1.069 338 N CA -1.278 51.720 53.050 -0.086 0.000 0.946 338 N CB 0.604 39.072 38.487 -0.032 0.000 1.212 338 N HN 0.338 nan 8.380 nan 0.000 0.509 339 P HA 0.522 nan 4.420 nan 0.000 0.281 339 P C -2.777 174.572 177.300 0.081 0.000 1.281 339 P CA -1.485 61.637 63.100 0.036 0.000 0.811 339 P CB 0.288 32.038 31.700 0.083 0.000 1.154 340 P HA 0.196 nan 4.420 nan 0.000 0.268 340 P C -2.079 175.286 177.300 0.109 0.000 1.205 340 P CA -0.825 62.322 63.100 0.077 0.000 0.771 340 P CB -1.022 30.712 31.700 0.057 0.000 0.858 341 P HA 0.180 nan 4.420 nan 0.000 0.272 341 P C -0.589 176.760 177.300 0.081 0.000 1.254 341 P CA -0.017 63.154 63.100 0.118 0.000 0.795 341 P CB 0.761 32.515 31.700 0.091 0.000 1.022 342 R N -1.775 118.764 120.500 0.066 0.000 2.692 342 R HA 0.694 5.034 4.340 -0.000 0.000 0.269 342 R C -1.187 175.092 176.300 -0.034 0.000 1.030 342 R CA -1.170 54.947 56.100 0.029 0.000 0.882 342 R CB 0.735 31.077 30.300 0.071 0.000 1.250 342 R HN 0.354 nan 8.270 nan 0.000 0.465 343 A N 3.121 125.907 122.820 -0.057 0.000 2.505 343 A HA 0.343 4.663 4.320 -0.000 0.000 0.271 343 A C -0.140 177.400 177.584 -0.073 0.000 1.112 343 A CA 0.045 52.021 52.037 -0.102 0.000 0.781 343 A CB -0.216 18.737 19.000 -0.078 0.000 1.059 343 A HN 0.482 nan 8.150 nan 0.000 0.508 344 I N 2.929 123.447 120.570 -0.087 0.000 2.447 344 I HA 0.293 4.463 4.170 -0.000 0.000 0.287 344 I C 0.374 176.517 176.117 0.044 0.000 1.023 344 I CA -0.322 60.991 61.300 0.022 0.000 1.083 344 I CB 1.826 39.952 38.000 0.209 0.000 1.245 344 I HN 0.819 nan 8.210 nan 0.000 0.434 345 R N 5.964 126.463 120.500 -0.002 0.000 2.593 345 R HA 0.317 4.657 4.340 -0.000 0.000 0.282 345 R C -0.940 175.367 176.300 0.012 0.000 1.300 345 R CA -0.603 55.483 56.100 -0.022 0.000 1.221 345 R CB 0.187 30.454 30.300 -0.055 0.000 1.157 345 R HN 0.433 nan 8.270 nan 0.000 0.555 346 L N 3.555 124.832 121.223 0.091 0.000 2.281 346 L HA 0.352 4.692 4.340 -0.000 0.000 0.285 346 L C -0.940 175.985 176.870 0.093 0.000 1.074 346 L CA 0.628 55.537 54.840 0.114 0.000 0.817 346 L CB 1.625 43.812 42.059 0.214 0.000 1.168 346 L HN 0.472 nan 8.230 nan 0.000 0.434 347 T N 7.090 121.670 114.554 0.042 0.000 2.848 347 T HA 0.735 5.085 4.350 -0.000 0.000 0.285 347 T C -0.587 174.124 174.700 0.018 0.000 0.995 347 T CA -0.484 61.633 62.100 0.030 0.000 0.970 347 T CB 1.235 70.085 68.868 -0.031 0.000 0.976 347 T HN 0.675 nan 8.240 nan 0.000 0.441 348 L N 0.461 121.704 121.223 0.033 0.000 2.600 348 L HA 0.853 5.193 4.340 -0.000 0.000 0.257 348 L C -3.300 173.601 176.870 0.053 0.000 1.048 348 L CA -3.106 51.738 54.840 0.006 0.000 0.869 348 L CB 1.488 43.476 42.059 -0.118 0.000 1.482 348 L HN 0.241 nan 8.230 nan 0.000 0.408 349 P HA 0.073 nan 4.420 nan 0.000 0.269 349 P C -1.345 175.964 177.300 0.014 0.000 1.209 349 P CA -0.021 63.119 63.100 0.065 0.000 0.776 349 P CB 0.510 32.221 31.700 0.018 0.000 0.876 350 Q N 2.428 122.229 119.800 0.002 0.000 2.297 350 Q HA 0.168 4.508 4.340 -0.000 0.000 0.267 350 Q C -0.905 175.063 176.000 -0.054 0.000 1.006 350 Q CA -0.121 55.670 55.803 -0.020 0.000 0.896 350 Q CB 0.018 28.752 28.738 -0.007 0.000 1.186 350 Q HN 0.425 nan 8.270 nan 0.000 0.392 351 L N 4.017 125.194 121.223 -0.076 0.000 2.292 351 L HA 0.360 4.699 4.340 -0.000 0.000 0.284 351 L C 0.258 177.067 176.870 -0.101 0.000 1.065 351 L CA -0.027 54.746 54.840 -0.113 0.000 0.806 351 L CB 1.163 43.118 42.059 -0.174 0.000 1.175 351 L HN 0.718 nan 8.230 nan 0.000 0.431 352 E N 4.310 124.451 120.200 -0.099 0.000 3.909 352 E HA 0.313 4.663 4.350 -0.000 0.000 0.236 352 E C -0.774 175.787 176.600 -0.066 0.000 1.222 352 E CA -0.210 56.147 56.400 -0.072 0.000 1.205 352 E CB 0.814 30.482 29.700 -0.055 0.000 1.249 352 E HN 0.517 nan 8.360 nan 0.000 0.411 353 I N 1.681 122.204 120.570 -0.077 0.000 2.519 353 I HA 0.270 4.440 4.170 -0.000 0.000 0.287 353 I C 0.445 176.569 176.117 0.011 0.000 1.047 353 I CA 0.064 61.339 61.300 -0.043 0.000 1.381 353 I CB 0.768 38.733 38.000 -0.059 0.000 1.417 353 I HN 0.096 nan 8.210 nan 0.000 0.540 354 R N 3.559 124.083 120.500 0.040 0.000 2.744 354 R HA 0.776 5.116 4.340 -0.000 0.000 0.279 354 R C -0.618 175.747 176.300 0.108 0.000 0.977 354 R CA -0.870 55.272 56.100 0.070 0.000 0.906 354 R CB 2.355 32.686 30.300 0.051 0.000 1.197 354 R HN 0.829 nan 8.270 nan 0.000 0.463 355 G N -0.232 108.647 108.800 0.132 0.000 2.732 355 G HA2 0.462 4.422 3.960 -0.000 0.000 0.296 355 G HA3 0.462 4.422 3.960 -0.000 0.000 0.296 355 G C -1.624 173.332 174.900 0.094 0.000 1.448 355 G CA -0.348 44.856 45.100 0.173 0.000 0.911 355 G HN 0.376 nan 8.290 nan 0.000 0.528 356 S N 0.084 115.840 115.700 0.093 0.000 2.592 356 S HA 0.807 5.277 4.470 -0.000 0.000 0.275 356 S C -1.437 173.170 174.600 0.011 0.000 1.169 356 S CA -0.725 57.423 58.200 -0.086 0.000 0.958 356 S CB 0.594 63.805 63.200 0.020 0.000 1.095 356 S HN 1.485 nan 8.310 nan 0.000 0.471 357 Y N 1.194 121.524 120.300 0.050 0.000 2.624 357 Y HA 0.648 5.198 4.550 -0.000 0.000 0.334 357 Y C -0.826 175.091 175.900 0.029 0.000 1.155 357 Y CA -1.299 56.821 58.100 0.032 0.000 1.046 357 Y CB 0.593 39.064 38.460 0.018 0.000 1.316 357 Y HN 0.522 nan 8.280 nan 0.000 0.457 358 N N 1.553 120.372 118.700 0.198 0.000 2.439 358 N HA 0.202 4.942 4.740 -0.000 0.000 0.249 358 N C 0.081 175.668 175.510 0.128 0.000 1.003 358 N CA -0.483 52.636 53.050 0.115 0.000 0.942 358 N CB 1.315 39.847 38.487 0.075 0.000 1.115 358 N HN 0.839 nan 8.380 nan 0.000 0.505 359 L N 3.269 124.555 121.223 0.105 0.000 2.189 359 L HA -0.179 4.161 4.340 -0.000 0.000 0.214 359 L C 2.100 178.964 176.870 -0.010 0.000 1.097 359 L CA 1.637 56.515 54.840 0.063 0.000 0.764 359 L CB -0.480 41.582 42.059 0.005 0.000 0.900 359 L HN 0.693 nan 8.230 nan 0.000 0.436 360 Q N -0.920 118.861 119.800 -0.032 0.000 2.135 360 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 360 Q C 1.704 177.687 176.000 -0.028 0.000 0.981 360 Q CA 1.551 57.322 55.803 -0.054 0.000 0.856 360 Q CB -0.175 28.532 28.738 -0.052 0.000 0.902 360 Q HN 0.549 nan 8.270 nan 0.000 0.425 361 D N 0.591 120.990 120.400 -0.002 0.000 2.117 361 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 361 D C 1.955 178.243 176.300 -0.020 0.000 0.982 361 D CA 0.916 54.914 54.000 -0.003 0.000 0.828 361 D CB -0.097 40.713 40.800 0.017 0.000 0.967 361 D HN 0.241 nan 8.370 nan 0.000 0.464 362 L N 0.303 121.514 121.223 -0.020 0.000 2.141 362 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 362 L C 2.514 179.359 176.870 -0.041 0.000 1.094 362 L CA 0.578 55.390 54.840 -0.047 0.000 0.763 362 L CB -0.386 41.639 42.059 -0.057 0.000 0.908 362 L HN 0.035 nan 8.230 nan 0.000 0.437 363 L N -0.184 121.016 121.223 -0.038 0.000 2.109 363 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 363 L C 2.946 179.797 176.870 -0.033 0.000 1.086 363 L CA 0.921 55.738 54.840 -0.039 0.000 0.760 363 L CB -0.740 41.286 42.059 -0.055 0.000 0.910 363 L HN 0.203 nan 8.230 nan 0.000 0.437 364 A N 0.126 122.926 122.820 -0.032 0.000 1.908 364 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 364 A C 2.181 179.751 177.584 -0.024 0.000 1.181 364 A CA 2.014 54.035 52.037 -0.026 0.000 0.627 364 A CB -0.442 18.544 19.000 -0.023 0.000 0.818 364 A HN 0.354 nan 8.150 nan 0.000 0.445 365 E N -0.209 119.974 120.200 -0.029 0.000 2.150 365 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 365 E C 1.105 177.690 176.600 -0.026 0.000 0.985 365 E CA 1.064 57.446 56.400 -0.030 0.000 0.814 365 E CB -0.163 29.511 29.700 -0.043 0.000 0.752 365 E HN 0.489 nan 8.360 nan 0.000 0.466 366 D N -0.411 119.974 120.400 -0.025 0.000 2.352 366 D HA -0.004 4.636 4.640 -0.000 0.000 0.232 366 D C -0.081 176.214 176.300 -0.009 0.000 1.055 366 D CA 0.312 54.302 54.000 -0.016 0.000 0.891 366 D CB 0.016 40.807 40.800 -0.015 0.000 0.897 366 D HN 0.089 nan 8.370 nan 0.000 0.529 367 K N -1.414 118.979 120.400 -0.012 0.000 3.446 367 K HA -0.163 4.157 4.320 -0.000 0.000 0.312 367 K C -0.364 176.231 176.600 -0.008 0.000 1.329 367 K CA 0.638 56.920 56.287 -0.008 0.000 0.935 367 K CB -1.534 30.965 32.500 -0.003 0.000 1.281 367 K HN 0.242 nan 8.250 nan 0.000 0.457 368 L N -1.624 119.591 121.223 -0.013 0.000 2.594 368 L HA 0.272 4.612 4.340 -0.000 0.000 0.245 368 L C -2.000 174.855 176.870 -0.025 0.000 1.460 368 L CA -1.799 53.032 54.840 -0.015 0.000 0.865 368 L CB 0.785 42.837 42.059 -0.012 0.000 1.131 368 L HN -0.242 nan 8.230 nan 0.000 0.506 369 P HA -0.121 nan 4.420 nan 0.000 0.216 369 P C 1.229 178.506 177.300 -0.038 0.000 1.150 369 P CA 1.424 64.507 63.100 -0.029 0.000 0.837 369 P CB 0.143 31.830 31.700 -0.022 0.000 0.786 370 T N -3.290 111.244 114.554 -0.034 0.000 3.273 370 T HA 0.209 4.559 4.350 -0.000 0.000 0.254 370 T C 1.363 176.035 174.700 -0.046 0.000 1.002 370 T CA -0.256 61.822 62.100 -0.038 0.000 0.913 370 T CB -0.825 68.028 68.868 -0.025 0.000 1.056 370 T HN -0.008 nan 8.240 nan 0.000 0.576 371 L N 0.371 121.560 121.223 -0.057 0.000 2.083 371 L HA 0.212 4.551 4.340 -0.000 0.000 0.209 371 L C 0.483 177.291 176.870 -0.103 0.000 1.083 371 L CA 1.353 56.153 54.840 -0.067 0.000 0.752 371 L CB 0.107 42.124 42.059 -0.070 0.000 0.899 371 L HN 0.397 nan 8.230 nan 0.000 0.433 372 L N 0.173 121.309 121.223 -0.145 0.000 2.594 372 L HA 0.454 4.794 4.340 -0.000 0.000 0.245 372 L C -0.121 176.670 176.870 -0.132 0.000 1.460 372 L CA -0.502 54.218 54.840 -0.201 0.000 0.865 372 L CB 0.861 42.677 42.059 -0.405 0.000 1.131 372 L HN 0.012 nan 8.230 nan 0.000 0.506 373 G N -0.828 107.925 108.800 -0.079 0.000 2.605 373 G HA2 0.530 4.490 3.960 -0.000 0.000 0.296 373 G HA3 0.530 4.490 3.960 -0.000 0.000 0.296 373 G C 0.737 175.616 174.900 -0.034 0.000 1.304 373 G CA 0.043 45.112 45.100 -0.052 0.000 0.941 373 G HN 0.216 nan 8.290 nan 0.000 0.475 374 A N -0.320 122.485 122.820 -0.025 0.000 2.131 374 A HA -0.164 4.156 4.320 -0.000 0.000 0.224 374 A C 1.751 179.328 177.584 -0.011 0.000 1.172 374 A CA 2.396 54.423 52.037 -0.017 0.000 0.672 374 A CB -0.349 18.643 19.000 -0.013 0.000 0.815 374 A HN 0.719 nan 8.150 nan 0.000 0.477 375 E N -0.647 119.545 120.200 -0.013 0.000 2.447 375 E HA 0.313 4.663 4.350 -0.000 0.000 0.195 375 E C 0.779 177.375 176.600 -0.006 0.000 1.028 375 E CA 0.062 56.457 56.400 -0.008 0.000 0.876 375 E CB 0.000 29.695 29.700 -0.008 0.000 0.885 375 E HN 0.636 nan 8.360 nan 0.000 0.500 376 A N 2.161 124.974 122.820 -0.012 0.000 2.520 376 A HA -0.007 4.313 4.320 -0.000 0.000 0.245 376 A C 0.218 177.806 177.584 0.006 0.000 1.072 376 A CA -0.144 51.888 52.037 -0.007 0.000 0.761 376 A CB 0.058 19.046 19.000 -0.020 0.000 1.004 376 A HN 0.048 nan 8.150 nan 0.000 0.499 377 N N 2.614 121.319 118.700 0.010 0.000 2.482 377 N HA 0.268 5.008 4.740 -0.000 0.000 0.242 377 N C -0.590 174.925 175.510 0.008 0.000 1.100 377 N CA -0.017 53.038 53.050 0.009 0.000 0.946 377 N CB -0.058 38.434 38.487 0.008 0.000 1.227 377 N HN 0.568 nan 8.380 nan 0.000 0.508 378 L N 2.760 123.987 121.223 0.007 0.000 3.141 378 L HA 0.318 4.658 4.340 -0.000 0.000 0.263 378 L C 1.184 178.022 176.870 -0.052 0.000 1.312 378 L CA -0.289 54.542 54.840 -0.015 0.000 1.012 378 L CB 0.058 42.133 42.059 0.027 0.000 1.408 378 L HN 0.332 nan 8.230 nan 0.000 0.559 379 N N 0.621 119.297 118.700 -0.040 0.000 2.550 379 N HA -0.047 4.693 4.740 -0.000 0.000 0.186 379 N C 0.924 176.392 175.510 -0.070 0.000 1.110 379 N CA 0.585 53.611 53.050 -0.041 0.000 0.912 379 N CB 0.260 38.733 38.487 -0.024 0.000 0.968 379 N HN 0.429 nan 8.380 nan 0.000 0.448 380 N N 0.561 119.201 118.700 -0.099 0.000 2.336 380 N HA 0.168 4.908 4.740 -0.000 0.000 0.189 380 N C 1.462 176.845 175.510 -0.212 0.000 1.113 380 N CA -0.036 52.952 53.050 -0.102 0.000 0.858 380 N CB 0.536 38.988 38.487 -0.059 0.000 0.970 380 N HN 0.338 nan 8.380 nan 0.000 0.471 381 I N -0.853 119.505 120.570 -0.353 0.000 2.494 381 I HA 0.070 4.240 4.170 -0.000 0.000 0.250 381 I C 1.422 177.390 176.117 -0.249 0.000 1.112 381 I CA 0.405 61.331 61.300 -0.622 0.000 1.438 381 I CB 0.145 37.729 38.000 -0.694 0.000 1.111 381 I HN -0.008 nan 8.210 nan 0.000 0.431 382 G N 0.042 108.738 108.800 -0.172 0.000 3.086 382 G HA2 0.190 4.150 3.960 -0.000 0.000 0.282 382 G HA3 0.190 4.150 3.960 -0.000 0.000 0.282 382 G C -0.703 174.031 174.900 -0.276 0.000 1.343 382 G CA 0.062 44.961 45.100 -0.333 0.000 0.895 382 G HN 0.179 nan 8.290 nan 0.000 0.557 383 D N -0.950 119.226 120.400 -0.373 0.000 2.340 383 D HA 0.133 4.773 4.640 -0.000 0.000 0.217 383 D C 0.847 177.041 176.300 -0.176 0.000 1.081 383 D CA 0.500 54.365 54.000 -0.226 0.000 0.842 383 D CB 0.059 40.737 40.800 -0.204 0.000 0.934 383 D HN 0.531 nan 8.370 nan 0.000 0.511 384 T N -2.857 111.589 114.554 -0.180 0.000 2.883 384 T HA 0.352 4.702 4.350 -0.000 0.000 0.301 384 T C -0.709 174.068 174.700 0.128 0.000 1.158 384 T CA -1.079 61.020 62.100 -0.002 0.000 1.007 384 T CB 1.467 70.373 68.868 0.064 0.000 1.186 384 T HN -0.132 nan 8.240 nan 0.000 0.499 385 N N 3.278 122.045 118.700 0.111 0.000 2.416 385 N HA 0.318 5.058 4.740 -0.000 0.000 0.265 385 N C -2.130 173.466 175.510 0.143 0.000 1.195 385 N CA -1.386 51.727 53.050 0.105 0.000 0.943 385 N CB 0.275 38.790 38.487 0.047 0.000 1.115 385 N HN 0.472 nan 8.380 nan 0.000 0.481 386 P HA 0.057 nan 4.420 nan 0.000 0.269 386 P C -0.638 176.616 177.300 -0.076 0.000 1.209 386 P CA -0.234 62.821 63.100 -0.076 0.000 0.776 386 P CB 0.594 32.214 31.700 -0.134 0.000 0.876 387 R N 2.741 123.156 120.500 -0.142 0.000 2.215 387 R HA 0.322 4.662 4.340 -0.000 0.000 0.337 387 R C -1.123 175.131 176.300 -0.076 0.000 1.010 387 R CA -0.683 55.370 56.100 -0.079 0.000 0.871 387 R CB -0.606 29.655 30.300 -0.066 0.000 1.134 387 R HN 0.189 nan 8.270 nan 0.000 0.477 388 V N 5.351 125.252 119.914 -0.022 0.000 2.408 388 V HA 0.281 4.401 4.120 -0.000 0.000 0.267 388 V C 1.339 177.443 176.094 0.017 0.000 1.047 388 V CA 0.326 62.644 62.300 0.029 0.000 0.937 388 V CB 1.140 33.010 31.823 0.078 0.000 0.999 388 V HN 0.975 nan 8.190 nan 0.000 0.472 389 G N 4.537 113.359 108.800 0.037 0.000 2.492 389 G HA2 0.157 4.117 3.960 -0.000 0.000 0.214 389 G HA3 0.157 4.117 3.960 -0.000 0.000 0.214 389 G C 0.342 175.272 174.900 0.050 0.000 1.147 389 G CA 0.559 45.678 45.100 0.033 0.000 0.809 389 G HN 0.802 nan 8.290 nan 0.000 0.533 390 E N -1.624 118.630 120.200 0.090 0.000 2.380 390 E HA 0.473 4.822 4.350 -0.000 0.000 0.281 390 E C -1.988 174.704 176.600 0.153 0.000 0.999 390 E CA -0.900 55.556 56.400 0.094 0.000 0.800 390 E CB 1.771 31.529 29.700 0.097 0.000 1.228 390 E HN -0.124 nan 8.360 nan 0.000 0.436 391 V N 3.070 123.048 119.914 0.106 0.000 2.320 391 V HA 0.271 4.391 4.120 -0.000 0.000 0.268 391 V C -0.733 175.428 176.094 0.112 0.000 1.021 391 V CA -0.546 61.846 62.300 0.153 0.000 0.813 391 V CB 0.773 32.588 31.823 -0.013 0.000 1.054 391 V HN 0.684 nan 8.190 nan 0.000 0.444 392 L N 4.771 126.066 121.223 0.120 0.000 2.276 392 L HA 0.503 4.843 4.340 -0.000 0.000 0.286 392 L C 0.188 177.005 176.870 -0.088 0.000 1.061 392 L CA 0.475 55.311 54.840 -0.006 0.000 0.807 392 L CB 0.836 42.879 42.059 -0.028 0.000 1.177 392 L HN 0.568 nan 8.230 nan 0.000 0.429 393 N N 2.818 121.387 118.700 -0.218 0.000 2.400 393 N HA 0.414 5.154 4.740 -0.000 0.000 0.288 393 N C -1.279 173.987 175.510 -0.407 0.000 1.024 393 N CA -0.531 52.352 53.050 -0.278 0.000 0.894 393 N CB 1.546 39.874 38.487 -0.266 0.000 1.173 393 N HN 0.461 nan 8.380 nan 0.000 0.487 394 S N 2.238 117.807 115.700 -0.218 0.000 2.614 394 S HA 0.536 5.006 4.470 -0.000 0.000 0.288 394 S C -0.915 173.743 174.600 0.097 0.000 1.137 394 S CA -0.520 57.639 58.200 -0.069 0.000 0.992 394 S CB 0.576 63.799 63.200 0.040 0.000 1.026 394 S HN 0.355 nan 8.310 nan 0.000 0.486 395 I N 3.798 124.433 120.570 0.109 0.000 2.569 395 I HA 0.559 4.729 4.170 -0.000 0.000 0.296 395 I C -1.178 175.023 176.117 0.140 0.000 1.028 395 I CA -0.965 60.441 61.300 0.178 0.000 1.082 395 I CB 1.983 40.130 38.000 0.244 0.000 1.264 395 I HN 0.392 nan 8.210 nan 0.000 0.429 396 L N 7.267 128.555 121.223 0.109 0.000 2.406 396 L HA 0.568 4.908 4.340 -0.000 0.000 0.270 396 L C -1.647 175.265 176.870 0.069 0.000 0.982 396 L CA -0.232 54.635 54.840 0.044 0.000 0.843 396 L CB 1.514 43.527 42.059 -0.077 0.000 1.225 396 L HN 0.537 nan 8.230 nan 0.000 0.412 397 L N 4.415 125.640 121.223 0.004 0.000 2.322 397 L HA 0.641 4.981 4.340 -0.000 0.000 0.281 397 L C -0.813 176.033 176.870 -0.041 0.000 1.014 397 L CA -0.185 54.615 54.840 -0.066 0.000 0.815 397 L CB 1.381 43.273 42.059 -0.277 0.000 1.247 397 L HN 0.671 nan 8.230 nan 0.000 0.421 398 E N 5.065 125.266 120.200 0.001 0.000 2.234 398 E HA 0.460 4.810 4.350 -0.000 0.000 0.266 398 E C -1.657 174.919 176.600 -0.039 0.000 0.877 398 E CA -0.779 55.599 56.400 -0.036 0.000 0.758 398 E CB 2.949 32.630 29.700 -0.031 0.000 1.170 398 E HN 0.291 nan 8.360 nan 0.000 0.415 399 L N 3.140 124.325 121.223 -0.063 0.000 2.406 399 L HA 0.469 4.809 4.340 -0.000 0.000 0.272 399 L C -1.250 175.574 176.870 -0.076 0.000 0.980 399 L CA -0.192 54.606 54.840 -0.071 0.000 0.831 399 L CB 1.329 43.330 42.059 -0.096 0.000 1.253 399 L HN 0.433 nan 8.230 nan 0.000 0.406 400 K N 2.420 122.775 120.400 -0.076 0.000 2.466 400 K HA 0.881 5.201 4.320 -0.000 0.000 0.260 400 K C -1.007 175.577 176.600 -0.027 0.000 1.011 400 K CA -0.883 55.376 56.287 -0.046 0.000 0.871 400 K CB 1.817 34.291 32.500 -0.043 0.000 1.404 400 K HN 0.594 nan 8.250 nan 0.000 0.450 401 A N 0.319 123.149 122.820 0.016 0.000 2.440 401 A HA 0.317 4.637 4.320 -0.000 0.000 0.251 401 A C 1.089 178.703 177.584 0.050 0.000 1.089 401 A CA 0.421 52.497 52.037 0.066 0.000 0.779 401 A CB -0.046 19.000 19.000 0.077 0.000 1.022 401 A HN 0.883 nan 8.150 nan 0.000 0.492 402 G N 1.357 110.208 108.800 0.085 0.000 2.484 402 G HA2 0.210 4.170 3.960 -0.000 0.000 0.218 402 G HA3 0.210 4.170 3.960 -0.000 0.000 0.218 402 G C 0.508 175.440 174.900 0.053 0.000 1.130 402 G CA 0.840 45.978 45.100 0.062 0.000 0.784 402 G HN 0.788 nan 8.290 nan 0.000 0.543 418 E N 1.646 121.827 120.200 -0.030 0.000 2.180 418 E HA 0.552 4.902 4.350 -0.000 0.000 0.283 418 E C -0.568 176.011 176.600 -0.036 0.000 1.061 418 E CA -0.025 56.357 56.400 -0.030 0.000 0.861 418 E CB 0.883 30.570 29.700 -0.023 0.000 1.056 418 E HN 0.383 nan 8.360 nan 0.000 0.407 419 A N 4.068 126.863 122.820 -0.042 0.000 2.414 419 A HA 0.522 4.842 4.320 -0.000 0.000 0.278 419 A C -1.322 176.235 177.584 -0.045 0.000 1.228 419 A CA -0.821 51.187 52.037 -0.047 0.000 0.857 419 A CB 1.011 19.974 19.000 -0.063 0.000 1.389 419 A HN 0.571 nan 8.150 nan 0.000 0.452 420 L N 0.908 122.100 121.223 -0.052 0.000 2.265 420 L HA 0.468 4.808 4.340 -0.000 0.000 0.288 420 L C -1.210 175.611 176.870 -0.081 0.000 1.058 420 L CA -0.286 54.512 54.840 -0.069 0.000 0.809 420 L CB 0.317 42.322 42.059 -0.091 0.000 1.179 420 L HN 0.510 nan 8.230 nan 0.000 0.429 421 D N 4.243 124.600 120.400 -0.071 0.000 2.343 421 D HA 0.282 4.922 4.640 -0.000 0.000 0.255 421 D C -0.602 175.648 176.300 -0.084 0.000 1.187 421 D CA 0.353 54.315 54.000 -0.064 0.000 0.875 421 D CB 1.124 41.895 40.800 -0.048 0.000 1.136 421 D HN 0.292 nan 8.370 nan 0.000 0.469 422 V N 3.088 122.957 119.914 -0.075 0.000 2.409 422 V HA 0.453 4.573 4.120 -0.000 0.000 0.291 422 V C 0.228 176.301 176.094 -0.034 0.000 1.020 422 V CA -0.440 61.817 62.300 -0.072 0.000 0.848 422 V CB 1.940 33.714 31.823 -0.082 0.000 0.990 422 V HN 0.484 nan 8.190 nan 0.000 0.430 423 T N 6.242 120.780 114.554 -0.027 0.000 2.881 423 T HA 0.490 4.840 4.350 -0.000 0.000 0.291 423 T C -0.730 173.971 174.700 0.001 0.000 0.990 423 T CA -0.362 61.730 62.100 -0.013 0.000 0.976 423 T CB 1.187 70.049 68.868 -0.010 0.000 0.970 423 T HN 0.223 nan 8.240 nan 0.000 0.438 424 L N 4.228 125.455 121.223 0.006 0.000 2.352 424 L HA 0.346 4.686 4.340 -0.000 0.000 0.272 424 L C 1.271 178.270 176.870 0.214 0.000 1.109 424 L CA 0.077 54.951 54.840 0.057 0.000 0.952 424 L CB 0.275 42.235 42.059 -0.166 0.000 1.314 424 L HN 0.790 nan 8.230 nan 0.000 0.427 425 S N -1.181 114.566 115.700 0.078 0.000 2.602 425 S HA 0.435 4.905 4.470 -0.000 0.000 0.240 425 S C 0.386 174.619 174.600 -0.611 0.000 0.992 425 S CA -0.123 58.058 58.200 -0.033 0.000 0.971 425 S CB 0.092 63.348 63.200 0.093 0.000 0.855 425 S HN 0.443 nan 8.310 nan 0.000 0.481 426 S N -0.112 115.178 115.700 -0.684 0.000 2.656 426 S HA 0.714 5.184 4.470 -0.000 0.000 0.273 426 S C -3.468 171.000 174.600 -0.220 0.000 1.168 426 S CA -1.606 56.147 58.200 -0.745 0.000 0.817 426 S CB 0.353 63.427 63.200 -0.211 0.000 1.146 426 S HN 0.028 nan 8.310 nan 0.000 0.475 427 P HA 0.386 nan 4.420 nan 0.000 0.265 427 P C -0.858 176.583 177.300 0.234 0.000 1.187 427 P CA 0.100 63.316 63.100 0.194 0.000 0.766 427 P CB -0.099 31.669 31.700 0.114 0.000 0.820 428 F N 0.327 120.416 119.950 0.232 0.000 2.685 428 F HA 0.687 5.214 4.527 -0.000 0.000 0.315 428 F C -1.697 174.230 175.800 0.210 0.000 1.126 428 F CA -1.503 56.599 58.000 0.170 0.000 0.950 428 F CB 0.696 39.801 39.000 0.174 0.000 1.360 428 F HN -0.040 nan 8.300 nan 0.000 0.469 429 L N 1.816 123.292 121.223 0.422 0.000 2.334 429 L HA 0.754 5.094 4.340 -0.000 0.000 0.270 429 L C -0.873 176.371 176.870 0.623 0.000 1.018 429 L CA -0.949 54.122 54.840 0.385 0.000 0.811 429 L CB 1.769 43.850 42.059 0.037 0.000 1.271 429 L HN 0.814 nan 8.230 nan 0.000 0.443 430 F N -0.025 120.174 119.950 0.415 0.000 2.643 430 F HA 0.959 5.486 4.527 -0.000 0.000 0.314 430 F C -1.003 174.980 175.800 0.304 0.000 1.096 430 F CA -1.207 56.996 58.000 0.338 0.000 0.953 430 F CB 1.828 41.015 39.000 0.312 0.000 1.345 430 F HN 0.509 nan 8.300 nan 0.000 0.468 431 A N 2.154 125.129 122.820 0.259 0.000 2.532 431 A HA 0.660 4.980 4.320 -0.000 0.000 0.296 431 A C -1.778 175.937 177.584 0.217 0.000 1.058 431 A CA -0.574 51.527 52.037 0.107 0.000 0.729 431 A CB 0.907 19.991 19.000 0.141 0.000 1.285 431 A HN 0.840 nan 8.150 nan 0.000 0.396 432 I N 3.133 123.819 120.570 0.194 0.000 2.297 432 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 432 I C -0.530 175.724 176.117 0.229 0.000 1.033 432 I CA -0.367 61.047 61.300 0.190 0.000 1.253 432 I CB 0.756 38.817 38.000 0.102 0.000 1.396 432 I HN 0.759 nan 8.210 nan 0.000 0.476 433 Y N 7.072 127.439 120.300 0.113 0.000 2.487 433 Y HA 0.478 5.028 4.550 -0.000 0.000 0.337 433 Y C -0.495 175.486 175.900 0.134 0.000 1.076 433 Y CA -0.685 57.473 58.100 0.096 0.000 1.115 433 Y CB 1.520 40.022 38.460 0.068 0.000 1.235 433 Y HN 0.429 nan 8.280 nan 0.000 0.468 434 E N 4.587 124.359 120.200 -0.713 0.000 2.185 434 E HA 0.154 4.504 4.350 -0.000 0.000 0.261 434 E C -0.400 175.744 176.600 -0.761 0.000 0.879 434 E CA -0.313 55.808 56.400 -0.464 0.000 0.756 434 E CB 1.914 31.584 29.700 -0.049 0.000 1.152 434 E HN 1.031 nan 8.360 nan 0.000 0.416 435 Q N 1.920 121.477 119.800 -0.405 0.000 2.226 435 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 435 Q C 0.314 176.266 176.000 -0.081 0.000 0.975 435 Q CA 1.515 57.221 55.803 -0.160 0.000 0.866 435 Q CB 0.336 29.107 28.738 0.055 0.000 0.915 435 Q HN 0.423 nan 8.270 nan 0.000 0.440 436 D N -0.840 119.507 120.400 -0.088 0.000 2.269 436 D HA -0.065 4.575 4.640 -0.000 0.000 0.220 436 D C 1.955 178.231 176.300 -0.040 0.000 0.962 436 D CA 1.311 55.291 54.000 -0.033 0.000 0.884 436 D CB 0.016 40.807 40.800 -0.014 0.000 1.023 436 D HN 0.155 nan 8.370 nan 0.000 0.484 437 S N -0.805 114.854 115.700 -0.069 0.000 2.470 437 S HA 0.199 4.669 4.470 -0.000 0.000 0.225 437 S C 1.870 176.413 174.600 -0.095 0.000 1.006 437 S CA 0.739 58.898 58.200 -0.068 0.000 0.934 437 S CB 0.107 63.269 63.200 -0.064 0.000 0.778 437 S HN 0.303 nan 8.310 nan 0.000 0.517 438 G N 0.943 109.645 108.800 -0.163 0.000 2.153 438 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.252 438 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.252 438 G C 0.084 174.912 174.900 -0.120 0.000 0.994 438 G CA 0.417 45.457 45.100 -0.100 0.000 0.698 438 G HN 0.644 nan 8.290 nan 0.000 0.521 439 T N 0.951 115.344 114.554 -0.268 0.000 2.817 439 T HA 0.512 4.862 4.350 -0.000 0.000 0.293 439 T C 0.764 175.262 174.700 -0.336 0.000 0.964 439 T CA -0.303 61.585 62.100 -0.353 0.000 1.085 439 T CB 1.545 70.065 68.868 -0.580 0.000 0.921 439 T HN 0.241 nan 8.240 nan 0.000 0.502 440 L N 4.646 125.698 121.223 -0.285 0.000 2.334 440 L HA 0.188 4.528 4.340 -0.000 0.000 0.286 440 L C 1.553 178.201 176.870 -0.370 0.000 1.108 440 L CA -0.459 54.244 54.840 -0.228 0.000 0.875 440 L CB 0.157 42.035 42.059 -0.302 0.000 1.246 440 L HN 0.819 nan 8.230 nan 0.000 0.439 441 H N 3.276 122.222 119.070 -0.206 0.000 2.462 441 H HA 0.076 4.632 4.556 -0.000 0.000 0.292 441 H C -0.341 174.585 175.328 -0.670 0.000 1.049 441 H CA 1.037 56.872 56.048 -0.355 0.000 1.334 441 H CB 0.361 29.999 29.762 -0.207 0.000 1.404 441 H HN 0.295 nan 8.280 nan 0.000 0.544 442 F N 0.018 119.899 119.950 -0.115 0.000 2.608 442 F HA 0.342 4.869 4.527 -0.000 0.000 0.309 442 F C -1.083 174.502 175.800 -0.359 0.000 1.103 442 F CA -1.209 56.677 58.000 -0.190 0.000 0.954 442 F CB 1.982 40.901 39.000 -0.136 0.000 1.267 442 F HN -0.211 nan 8.300 nan 0.000 0.444 443 L N 0.715 121.729 121.223 -0.349 0.000 2.565 443 L HA 1.098 5.438 4.340 -0.000 0.000 0.261 443 L C -0.701 175.623 176.870 -0.909 0.000 0.932 443 L CA -0.457 53.883 54.840 -0.832 0.000 0.878 443 L CB 1.639 42.996 42.059 -1.169 0.000 1.333 443 L HN 0.764 nan 8.230 nan 0.000 0.409 444 G N 1.044 109.177 108.800 -1.111 0.000 2.554 444 G HA2 0.690 4.650 3.960 -0.000 0.000 0.306 444 G HA3 0.690 4.650 3.960 -0.000 0.000 0.306 444 G C -2.151 172.746 174.900 -0.005 0.000 1.320 444 G CA -0.977 43.888 45.100 -0.390 0.000 0.800 444 G HN 0.750 nan 8.290 nan 0.000 0.481 445 R N -0.790 119.916 120.500 0.345 0.000 2.686 445 R HA 0.640 4.980 4.340 -0.000 0.000 0.283 445 R C -1.725 174.690 176.300 0.191 0.000 0.978 445 R CA -0.557 55.722 56.100 0.298 0.000 0.897 445 R CB 2.347 32.795 30.300 0.246 0.000 1.192 445 R HN 0.353 nan 8.270 nan 0.000 0.457 446 V N 4.946 124.811 119.914 -0.082 0.000 2.289 446 V HA 0.180 4.300 4.120 -0.000 0.000 0.272 446 V C 0.189 176.149 176.094 -0.224 0.000 1.026 446 V CA -0.470 61.646 62.300 -0.305 0.000 0.807 446 V CB 1.071 32.387 31.823 -0.845 0.000 1.044 446 V HN 0.883 nan 8.190 nan 0.000 0.443 447 N N 2.686 121.357 118.700 -0.049 0.000 2.376 447 N HA 0.014 4.754 4.740 -0.000 0.000 0.177 447 N C 0.563 176.146 175.510 0.122 0.000 1.024 447 N CA 0.410 53.501 53.050 0.068 0.000 0.893 447 N CB 0.223 38.747 38.487 0.062 0.000 0.980 447 N HN 0.602 nan 8.380 nan 0.000 0.439 448 N N -0.471 118.197 118.700 -0.052 0.000 2.431 448 N HA 0.273 5.013 4.740 -0.000 0.000 0.275 448 N C -3.236 172.121 175.510 -0.254 0.000 1.091 448 N CA -1.574 51.392 53.050 -0.141 0.000 0.922 448 N CB 1.711 40.185 38.487 -0.021 0.000 1.666 448 N HN -0.268 nan 8.380 nan 0.000 0.484 449 P HA 0.306 nan 4.420 nan 0.000 0.303 449 P C -0.191 177.003 177.300 -0.177 0.000 1.370 449 P CA -0.291 62.638 63.100 -0.285 0.000 0.854 449 P CB 1.051 32.527 31.700 -0.373 0.000 0.946 450 Q N 0.000 119.732 119.800 -0.114 0.000 2.315 450 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 450 Q CA 0.000 55.758 55.803 -0.075 0.000 1.022 450 Q CB 0.000 28.702 28.738 -0.059 0.000 1.108 450 Q HN 0.000 nan 8.270 nan 0.000 0.481