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 3aep_1_C DATA FIRST_RESID 1003 DATA SEQUENCE AQDITTTLLH PKGDHVLHSH AYPIFQTSTF CFDSTQQGAD LFMGKGEGHI DATA SEQUENCE YSRLGNPTVE QFEEMVCSIE GAAGSAAFGS GMGAISSSTL AFLQKGDHLI DATA SEQUENCE AGDTLYGCTV SLFTHWLPRF GIEVDLIDTS DVEKVKAAWK PNTKMVYLES DATA SEQUENCE PANPTCKVSD IKGIAVVCHE RGARLVVDAT FTSPCFLKPL ELGADIALHS DATA SEQUENCE VSKYINGHGD VIGGVSSAKT AEDIATIKFY RKDAGSLMAP MDAFLCARGM DATA SEQUENCE KTLPIRMQIH MENGLKVAKF LEQHEKIVKV NHPGLESFPG HDIAKKQMTG DATA SEQUENCE YGSTFLFEMK SFEAAKKLME HLKVCTLAVS LGCVDTLIEH PASMTHAAVP DATA SEQUENCE ENIMRKQGIT PELVRISVGI ENVDDIIADL KQALELW 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 1003 A HA 0.000 nan 4.320 nan 0.000 0.244 1003 A C 0.000 177.587 177.584 0.005 0.000 1.274 1003 A CA 0.000 52.039 52.037 0.003 0.000 0.836 1003 A CB 0.000 19.003 19.000 0.004 0.000 0.831 1004 Q N 2.001 121.803 119.800 0.004 0.000 2.274 1004 Q HA 0.199 4.536 4.340 -0.004 0.000 0.280 1004 Q C -0.009 175.998 176.000 0.012 0.000 1.047 1004 Q CA 0.265 56.072 55.803 0.007 0.000 0.907 1004 Q CB 0.428 29.169 28.738 0.005 0.000 1.171 1004 Q HN 0.684 nan 8.270 nan 0.000 0.381 1005 D N 2.962 123.372 120.400 0.016 0.000 2.449 1005 D HA -0.097 4.541 4.640 -0.004 0.000 0.236 1005 D C 0.988 177.298 176.300 0.018 0.000 1.149 1005 D CA -0.117 53.893 54.000 0.017 0.000 0.878 1005 D CB 0.601 41.414 40.800 0.022 0.000 1.198 1005 D HN 0.670 nan 8.370 nan 0.000 0.446 1006 I N 2.621 123.195 120.570 0.007 0.000 2.248 1006 I HA -0.277 3.890 4.170 -0.004 0.000 0.248 1006 I C 1.895 178.014 176.117 0.002 0.000 1.107 1006 I CA 1.761 63.059 61.300 -0.004 0.000 1.373 1006 I CB -0.529 37.456 38.000 -0.025 0.000 1.055 1006 I HN 0.556 nan 8.210 nan 0.000 0.418 1007 T N -0.153 114.407 114.554 0.010 0.000 2.684 1007 T HA -0.183 4.165 4.350 -0.004 0.000 0.267 1007 T C 1.787 176.515 174.700 0.048 0.000 1.036 1007 T CA 2.226 64.338 62.100 0.019 0.000 1.148 1007 T CB -0.628 68.255 68.868 0.024 0.000 0.863 1007 T HN 0.432 nan 8.240 nan 0.000 0.436 1008 T N 1.763 116.361 114.554 0.074 0.000 2.708 1008 T HA -0.109 4.238 4.350 -0.004 0.000 0.266 1008 T C 2.317 177.118 174.700 0.168 0.000 1.037 1008 T CA 1.627 63.816 62.100 0.148 0.000 1.146 1008 T CB -0.808 68.122 68.868 0.103 0.000 0.865 1008 T HN 0.381 nan 8.240 nan 0.000 0.435 1009 T N 2.581 117.187 114.554 0.086 0.000 2.665 1009 T HA -0.022 4.325 4.350 -0.004 0.000 0.268 1009 T C 1.960 176.681 174.700 0.036 0.000 1.035 1009 T CA 1.039 63.176 62.100 0.061 0.000 1.151 1009 T CB -0.532 68.348 68.868 0.021 0.000 0.862 1009 T HN 0.253 nan 8.240 nan 0.000 0.438 1010 L N 0.202 121.430 121.223 0.008 0.000 2.141 1010 L HA 0.038 4.375 4.340 -0.004 0.000 0.209 1010 L C 2.262 179.102 176.870 -0.050 0.000 1.094 1010 L CA 0.878 55.704 54.840 -0.023 0.000 0.763 1010 L CB -0.440 41.602 42.059 -0.027 0.000 0.908 1010 L HN 0.257 nan 8.230 nan 0.000 0.437 1011 L N -1.285 119.900 121.223 -0.063 0.000 2.418 1011 L HA -0.042 4.295 4.340 -0.004 0.000 0.218 1011 L C 0.626 177.195 176.870 -0.501 0.000 1.125 1011 L CA 0.385 55.091 54.840 -0.224 0.000 0.835 1011 L CB -0.104 41.843 42.059 -0.186 0.000 0.953 1011 L HN 0.332 nan 8.230 nan 0.000 0.454 1012 H N -0.323 118.760 119.070 0.023 0.000 2.439 1012 H HA 0.301 4.854 4.556 -0.004 0.000 0.230 1012 H C -2.242 173.087 175.328 0.002 0.000 1.420 1012 H CA -1.712 54.353 56.048 0.029 0.000 1.305 1012 H CB 0.196 29.979 29.762 0.035 0.000 1.667 1012 H HN 0.059 nan 8.280 nan 0.000 0.515 1013 P HA 0.104 nan 4.420 nan 0.000 0.275 1013 P C 0.318 177.611 177.300 -0.011 0.000 1.228 1013 P CA -0.381 62.714 63.100 -0.007 0.000 0.786 1013 P CB 1.675 33.347 31.700 -0.047 0.000 0.927 1014 K N 0.862 121.247 120.400 -0.025 0.000 2.336 1014 K HA 0.488 4.805 4.320 -0.004 0.000 0.262 1014 K C 0.576 177.144 176.600 -0.053 0.000 0.992 1014 K CA 0.569 56.835 56.287 -0.034 0.000 0.927 1014 K CB -0.185 32.295 32.500 -0.033 0.000 0.956 1014 K HN 0.891 nan 8.250 nan 0.000 0.495 1015 G N 1.663 110.432 108.800 -0.053 0.000 2.528 1015 G HA2 -0.102 3.856 3.960 -0.004 0.000 0.681 1015 G HA3 -0.102 3.856 3.960 -0.004 0.000 0.681 1015 G C -1.562 173.300 174.900 -0.063 0.000 1.340 1015 G CA -1.111 43.967 45.100 -0.037 0.000 0.855 1015 G HN 0.595 nan 8.290 nan 0.000 0.649 1016 D N 1.234 121.621 120.400 -0.021 0.000 2.372 1016 D HA 0.413 5.050 4.640 -0.004 0.000 0.243 1016 D C 0.907 177.207 176.300 -0.000 0.000 1.121 1016 D CA 0.138 54.108 54.000 -0.050 0.000 0.898 1016 D CB 0.377 41.179 40.800 0.004 0.000 1.202 1016 D HN 0.402 nan 8.370 nan 0.000 0.428 1017 H N 0.307 119.413 119.070 0.059 0.000 2.771 1017 H HA 0.166 4.719 4.556 -0.004 0.000 0.364 1017 H C -0.334 174.981 175.328 -0.022 0.000 1.133 1017 H CA -0.116 55.952 56.048 0.034 0.000 1.423 1017 H CB 0.532 30.287 29.762 -0.011 0.000 1.425 1017 H HN 0.030 nan 8.280 nan 0.000 0.606 1018 V N 4.756 124.712 119.914 0.071 0.000 2.350 1018 V HA 0.013 4.130 4.120 -0.004 0.000 0.276 1018 V C 1.078 177.185 176.094 0.021 0.000 1.028 1018 V CA -0.505 61.802 62.300 0.012 0.000 0.860 1018 V CB 0.799 32.570 31.823 -0.087 0.000 0.990 1018 V HN 0.746 nan 8.190 nan 0.000 0.453 1019 L N 6.102 127.363 121.223 0.064 0.000 3.781 1019 L HA -0.285 4.052 4.340 -0.004 0.000 0.426 1019 L C 1.098 178.096 176.870 0.214 0.000 1.197 1019 L CA 0.638 55.557 54.840 0.132 0.000 0.907 1019 L CB -1.585 40.513 42.059 0.064 0.000 1.812 1019 L HN 1.092 nan 8.230 nan 0.000 0.956 1020 H N -2.560 116.539 119.070 0.048 0.000 3.366 1020 H HA -0.179 4.374 4.556 -0.005 0.000 0.233 1020 H C 1.152 176.441 175.328 -0.064 0.000 1.102 1020 H CA 1.219 57.277 56.048 0.017 0.000 1.184 1020 H CB -1.004 28.762 29.762 0.007 0.000 1.216 1020 H HN 0.535 nan 8.280 nan 0.000 0.317 1021 S N -0.233 115.488 115.700 0.035 0.000 2.537 1021 S HA -0.070 4.397 4.470 -0.004 0.000 0.286 1021 S C 1.596 176.158 174.600 -0.064 0.000 1.299 1021 S CA 0.273 58.468 58.200 -0.008 0.000 1.067 1021 S CB 0.569 63.746 63.200 -0.038 0.000 0.864 1021 S HN 0.570 nan 8.310 nan 0.000 0.494 1022 H N 3.993 122.981 119.070 -0.138 0.000 2.333 1022 H HA 0.112 4.665 4.556 -0.005 0.000 0.302 1022 H C 0.914 176.252 175.328 0.017 0.000 1.075 1022 H CA 1.049 57.007 56.048 -0.151 0.000 1.348 1022 H CB -0.209 29.503 29.762 -0.084 0.000 1.393 1022 H HN 0.724 nan 8.280 nan 0.000 0.509 1023 A N 0.611 123.387 122.820 -0.074 0.000 2.354 1023 A HA 0.169 4.486 4.320 -0.004 0.000 0.269 1023 A C -1.076 176.567 177.584 0.098 0.000 1.109 1023 A CA -0.365 51.664 52.037 -0.014 0.000 0.800 1023 A CB -0.204 18.851 19.000 0.092 0.000 1.045 1023 A HN 0.511 nan 8.150 nan 0.000 0.489 1024 Y N 3.344 123.703 120.300 0.099 0.000 2.496 1024 Y HA 0.308 4.855 4.550 -0.004 0.000 0.334 1024 Y C -1.793 174.210 175.900 0.173 0.000 1.080 1024 Y CA -1.181 57.014 58.100 0.159 0.000 1.355 1024 Y CB 0.275 38.832 38.460 0.161 0.000 1.193 1024 Y HN 0.516 nan 8.280 nan 0.000 0.523 1025 P HA 0.079 nan 4.420 nan 0.000 0.270 1025 P C -0.866 176.431 177.300 -0.005 0.000 1.223 1025 P CA 0.108 63.098 63.100 -0.184 0.000 0.785 1025 P CB 0.614 32.031 31.700 -0.472 0.000 0.923 1026 I N 1.464 121.938 120.570 -0.161 0.000 2.301 1026 I HA 0.187 4.354 4.170 -0.004 0.000 0.292 1026 I C 0.063 176.085 176.117 -0.157 0.000 1.046 1026 I CA -0.250 61.003 61.300 -0.078 0.000 1.282 1026 I CB -0.087 37.766 38.000 -0.246 0.000 1.409 1026 I HN 0.200 nan 8.210 nan 0.000 0.484 1027 F N 4.829 124.778 119.950 -0.002 0.000 2.573 1027 F HA 0.172 4.696 4.527 -0.004 0.000 0.349 1027 F C 1.056 176.809 175.800 -0.078 0.000 1.213 1027 F CA -0.408 57.571 58.000 -0.036 0.000 1.300 1027 F CB 0.144 39.166 39.000 0.037 0.000 1.661 1027 F HN 0.467 nan 8.300 nan 0.000 0.616 1028 Q N 2.369 122.150 119.800 -0.032 0.000 2.815 1028 Q HA 0.150 4.487 4.340 -0.004 0.000 0.235 1028 Q C -0.233 175.709 176.000 -0.097 0.000 1.354 1028 Q CA 0.180 55.945 55.803 -0.063 0.000 0.953 1028 Q CB 0.060 28.738 28.738 -0.100 0.000 1.613 1028 Q HN 0.421 nan 8.270 nan 0.000 0.572 1029 T N -0.314 114.177 114.554 -0.104 0.000 2.900 1029 T HA 0.477 4.825 4.350 -0.004 0.000 0.303 1029 T C 0.576 175.146 174.700 -0.217 0.000 1.142 1029 T CA 0.081 62.062 62.100 -0.199 0.000 1.007 1029 T CB 1.192 69.847 68.868 -0.354 0.000 1.156 1029 T HN 0.439 nan 8.240 nan 0.000 0.490 1030 S N 1.856 117.420 115.700 -0.227 0.000 2.444 1030 S HA 0.257 4.725 4.470 -0.004 0.000 0.223 1030 S C 1.041 175.485 174.600 -0.260 0.000 1.054 1030 S CA 0.248 58.280 58.200 -0.281 0.000 0.947 1030 S CB -0.194 62.909 63.200 -0.161 0.000 0.850 1030 S HN 0.688 nan 8.310 nan 0.000 0.527 1031 T N 0.656 115.132 114.554 -0.129 0.000 2.938 1031 T HA 0.716 5.064 4.350 -0.004 0.000 0.285 1031 T C -1.839 172.707 174.700 -0.257 0.000 1.028 1031 T CA -0.711 61.417 62.100 0.047 0.000 1.005 1031 T CB 0.755 69.718 68.868 0.159 0.000 1.157 1031 T HN 0.210 nan 8.240 nan 0.000 0.550 1032 F N 0.347 120.255 119.950 -0.069 0.000 2.588 1032 F HA 0.500 5.025 4.527 -0.003 0.000 0.310 1032 F C 0.175 175.806 175.800 -0.281 0.000 1.082 1032 F CA -0.895 57.043 58.000 -0.104 0.000 0.929 1032 F CB 1.205 40.187 39.000 -0.030 0.000 1.254 1032 F HN 0.519 nan 8.300 nan 0.000 0.455 1033 C N 2.285 121.579 119.300 -0.011 0.000 2.539 1033 C HA 0.511 4.969 4.460 -0.004 0.000 0.392 1033 C C -0.284 174.691 174.990 -0.025 0.000 1.269 1033 C CA -0.653 58.307 59.018 -0.097 0.000 2.250 1033 C CB -0.517 27.230 27.740 0.010 0.000 2.584 1033 C HN 0.403 nan 8.230 nan 0.000 0.589 1034 F N 1.368 121.391 119.950 0.121 0.000 2.450 1034 F HA 0.293 4.818 4.527 -0.004 0.000 0.332 1034 F C 1.323 177.169 175.800 0.077 0.000 1.093 1034 F CA -0.831 57.230 58.000 0.100 0.000 1.003 1034 F CB 0.571 39.633 39.000 0.102 0.000 1.151 1034 F HN 0.568 nan 8.300 nan 0.000 0.474 1035 D N 0.264 120.830 120.400 0.277 0.000 2.178 1035 D HA -0.037 4.600 4.640 -0.004 0.000 0.202 1035 D C 0.567 176.947 176.300 0.133 0.000 0.974 1035 D CA 1.271 55.367 54.000 0.160 0.000 0.841 1035 D CB 0.212 41.081 40.800 0.114 0.000 0.953 1035 D HN 0.442 nan 8.370 nan 0.000 0.478 1036 S N -2.429 113.354 115.700 0.139 0.000 2.611 1036 S HA 0.207 4.674 4.470 -0.004 0.000 0.268 1036 S C 0.808 175.450 174.600 0.070 0.000 1.156 1036 S CA -0.052 58.202 58.200 0.089 0.000 0.817 1036 S CB 1.455 64.683 63.200 0.048 0.000 1.122 1036 S HN -0.002 nan 8.310 nan 0.000 0.466 1037 T N -0.805 113.777 114.554 0.046 0.000 2.821 1037 T HA -0.156 4.192 4.350 -0.004 0.000 0.267 1037 T C 1.675 176.342 174.700 -0.055 0.000 1.046 1037 T CA 2.058 64.164 62.100 0.011 0.000 1.139 1037 T CB -0.616 68.264 68.868 0.020 0.000 0.871 1037 T HN 0.568 nan 8.240 nan 0.000 0.454 1038 Q N 0.884 120.661 119.800 -0.038 0.000 2.061 1038 Q HA -0.115 4.223 4.340 -0.004 0.000 0.204 1038 Q C 2.461 178.407 176.000 -0.090 0.000 0.984 1038 Q CA 1.922 57.694 55.803 -0.052 0.000 0.846 1038 Q CB -0.695 28.027 28.738 -0.027 0.000 0.902 1038 Q HN 0.697 nan 8.270 nan 0.000 0.421 1039 Q N -0.951 118.798 119.800 -0.086 0.000 2.124 1039 Q HA -0.114 4.223 4.340 -0.004 0.000 0.202 1039 Q C 1.791 177.619 176.000 -0.287 0.000 0.977 1039 Q CA 1.724 57.462 55.803 -0.108 0.000 0.850 1039 Q CB -0.453 28.271 28.738 -0.022 0.000 0.901 1039 Q HN 0.507 nan 8.270 nan 0.000 0.429 1040 G N 0.495 108.953 108.800 -0.569 0.000 2.414 1040 G HA2 -0.188 3.769 3.960 -0.004 0.000 0.215 1040 G HA3 -0.188 3.769 3.960 -0.004 0.000 0.215 1040 G C 1.571 176.162 174.900 -0.516 0.000 1.188 1040 G CA 1.323 45.604 45.100 -1.365 0.000 0.783 1040 G HN 0.510 nan 8.290 nan 0.000 0.537 1041 A N 1.335 124.007 122.820 -0.246 0.000 1.884 1041 A HA -0.200 4.117 4.320 -0.004 0.000 0.219 1041 A C 2.104 179.671 177.584 -0.028 0.000 1.197 1041 A CA 2.433 54.428 52.037 -0.070 0.000 0.637 1041 A CB -0.735 18.224 19.000 -0.067 0.000 0.827 1041 A HN 0.305 nan 8.150 nan 0.000 0.450 1042 D N -0.203 120.147 120.400 -0.083 0.000 2.133 1042 D HA -0.140 4.498 4.640 -0.004 0.000 0.195 1042 D C 1.906 178.166 176.300 -0.066 0.000 0.997 1042 D CA 1.174 55.136 54.000 -0.062 0.000 0.840 1042 D CB -0.362 40.395 40.800 -0.071 0.000 0.947 1042 D HN 0.475 nan 8.370 nan 0.000 0.452 1043 L N -0.663 120.480 121.223 -0.133 0.000 2.093 1043 L HA -0.128 4.209 4.340 -0.004 0.000 0.208 1043 L C 2.281 179.048 176.870 -0.172 0.000 1.085 1043 L CA 0.640 55.376 54.840 -0.173 0.000 0.755 1043 L CB -0.333 41.589 42.059 -0.229 0.000 0.904 1043 L HN 0.000 nan 8.230 nan 0.000 0.435 1044 F N -0.538 119.351 119.950 -0.101 0.000 2.234 1044 F HA -0.183 4.341 4.527 -0.005 0.000 0.299 1044 F C 2.418 178.201 175.800 -0.029 0.000 1.087 1044 F CA 1.150 59.122 58.000 -0.046 0.000 1.340 1044 F CB -0.236 38.736 39.000 -0.048 0.000 1.031 1044 F HN 0.016 nan 8.300 nan 0.000 0.500 1045 M N -0.861 118.808 119.600 0.116 0.000 2.619 1045 M HA 0.138 4.616 4.480 -0.004 0.000 0.251 1045 M C 1.577 177.892 176.300 0.025 0.000 1.106 1045 M CA 0.999 56.336 55.300 0.062 0.000 1.086 1045 M CB -0.249 32.370 32.600 0.032 0.000 1.465 1045 M HN 0.286 nan 8.290 nan 0.000 0.506 1046 G N 0.949 109.745 108.800 -0.007 0.000 2.143 1046 G HA2 -0.200 3.757 3.960 -0.004 0.000 0.249 1046 G HA3 -0.200 3.757 3.960 -0.004 0.000 0.249 1046 G C -0.004 174.871 174.900 -0.041 0.000 0.981 1046 G CA -0.125 44.956 45.100 -0.032 0.000 0.665 1046 G HN 0.314 nan 8.290 nan 0.000 0.528 1047 K N 0.638 121.014 120.400 -0.041 0.000 2.159 1047 K HA 0.648 4.966 4.320 -0.004 0.000 0.266 1047 K C 0.680 177.245 176.600 -0.059 0.000 0.975 1047 K CA 0.653 56.914 56.287 -0.043 0.000 0.865 1047 K CB 1.382 33.864 32.500 -0.030 0.000 1.087 1047 K HN 1.575 nan 8.250 nan 0.000 0.446 1048 G N 2.267 111.033 108.800 -0.056 0.000 2.663 1048 G HA2 -0.145 3.813 3.960 -0.004 0.000 0.686 1048 G HA3 -0.145 3.813 3.960 -0.004 0.000 0.686 1048 G C -1.126 173.724 174.900 -0.084 0.000 1.288 1048 G CA -0.810 44.254 45.100 -0.060 0.000 0.836 1048 G HN 0.414 nan 8.290 nan 0.000 0.584 1049 E N 0.157 120.311 120.200 -0.078 0.000 2.204 1049 E HA 0.760 5.107 4.350 -0.004 0.000 0.276 1049 E C 0.756 177.277 176.600 -0.131 0.000 0.974 1049 E CA 0.724 57.058 56.400 -0.110 0.000 0.815 1049 E CB 1.381 31.038 29.700 -0.072 0.000 1.119 1049 E HN 2.092 nan 8.360 nan 0.000 0.393 1050 G N 1.791 110.438 108.800 -0.256 0.000 2.369 1050 G HA2 0.096 4.054 3.960 -0.004 0.000 0.295 1050 G HA3 0.096 4.054 3.960 -0.004 0.000 0.295 1050 G C -1.593 172.946 174.900 -0.602 0.000 1.298 1050 G CA -0.997 43.932 45.100 -0.285 0.000 0.940 1050 G HN 0.528 nan 8.290 nan 0.000 0.536 1051 H N -1.522 117.366 119.070 -0.303 0.000 2.797 1051 H HA 0.775 5.329 4.556 -0.004 0.000 0.372 1051 H C 0.991 176.115 175.328 -0.341 0.000 1.168 1051 H CA -0.633 55.057 56.048 -0.597 0.000 1.163 1051 H CB 2.197 31.083 29.762 -1.461 0.000 1.778 1051 H HN 0.375 nan 8.280 nan 0.000 0.551 1052 I N -0.428 120.058 120.570 -0.140 0.000 3.739 1052 I HA 0.175 4.343 4.170 -0.004 0.000 0.272 1052 I C -0.968 175.356 176.117 0.346 0.000 1.167 1052 I CA 0.046 61.421 61.300 0.125 0.000 1.386 1052 I CB 0.921 38.860 38.000 -0.102 0.000 1.490 1052 I HN 0.373 nan 8.210 nan 0.000 0.452 1053 Y N -0.408 119.988 120.300 0.160 0.000 2.465 1053 Y HA 0.201 4.749 4.550 -0.005 0.000 0.323 1053 Y C 0.608 176.623 175.900 0.192 0.000 1.191 1053 Y CA -0.918 57.322 58.100 0.232 0.000 1.082 1053 Y CB 1.447 39.981 38.460 0.124 0.000 1.334 1053 Y HN -0.174 nan 8.280 nan 0.000 0.449 1054 S N 3.100 118.697 115.700 -0.171 0.000 2.399 1054 S HA -0.155 4.313 4.470 -0.004 0.000 0.231 1054 S C 1.886 176.423 174.600 -0.104 0.000 1.022 1054 S CA 1.614 59.761 58.200 -0.087 0.000 0.983 1054 S CB -0.166 62.950 63.200 -0.140 0.000 0.803 1054 S HN 0.711 nan 8.310 nan 0.000 0.480 1055 R N 0.811 121.222 120.500 -0.148 0.000 2.127 1055 R HA -0.016 4.321 4.340 -0.004 0.000 0.238 1055 R C 1.818 178.147 176.300 0.048 0.000 1.134 1055 R CA 1.134 57.250 56.100 0.026 0.000 0.975 1055 R CB -0.206 30.203 30.300 0.182 0.000 0.865 1055 R HN 0.379 nan 8.270 nan 0.000 0.447 1056 L N -1.458 119.819 121.223 0.091 0.000 2.249 1056 L HA 0.255 4.592 4.340 -0.004 0.000 0.207 1056 L C 0.818 177.680 176.870 -0.014 0.000 1.090 1056 L CA 0.415 55.270 54.840 0.025 0.000 0.802 1056 L CB 0.296 42.361 42.059 0.010 0.000 0.947 1056 L HN 0.335 nan 8.230 nan 0.000 0.453 1057 G N 0.065 108.867 108.800 0.002 0.000 2.387 1057 G HA2 0.101 4.058 3.960 -0.004 0.000 0.309 1057 G HA3 0.101 4.058 3.960 -0.004 0.000 0.309 1057 G C -2.027 172.890 174.900 0.028 0.000 1.641 1057 G CA -0.593 44.514 45.100 0.011 0.000 0.904 1057 G HN -0.064 nan 8.290 nan 0.000 0.661 1058 N N 2.814 121.510 118.700 -0.006 0.000 2.296 1058 N HA 0.491 5.228 4.740 -0.004 0.000 0.294 1058 N C -2.004 173.421 175.510 -0.142 0.000 1.033 1058 N CA -1.944 51.080 53.050 -0.043 0.000 0.839 1058 N CB 3.494 42.007 38.487 0.043 0.000 1.395 1058 N HN 0.044 nan 8.380 nan 0.000 0.479 1059 P HA -0.066 nan 4.420 nan 0.000 0.215 1059 P C 1.010 178.299 177.300 -0.019 0.000 1.153 1059 P CA 1.625 64.522 63.100 -0.339 0.000 0.853 1059 P CB 0.260 31.460 31.700 -0.833 0.000 0.788 1060 T N -0.974 113.693 114.554 0.187 0.000 2.821 1060 T HA -0.071 4.277 4.350 -0.004 0.000 0.267 1060 T C 1.833 176.593 174.700 0.101 0.000 1.046 1060 T CA 1.117 63.376 62.100 0.265 0.000 1.139 1060 T CB -0.945 68.148 68.868 0.375 0.000 0.871 1060 T HN -0.093 nan 8.240 nan 0.000 0.454 1061 V N 1.621 121.585 119.914 0.082 0.000 2.358 1061 V HA -0.136 3.982 4.120 -0.004 0.000 0.246 1061 V C 2.443 178.576 176.094 0.065 0.000 1.047 1061 V CA 1.541 63.896 62.300 0.091 0.000 1.035 1061 V CB -0.624 31.231 31.823 0.053 0.000 0.658 1061 V HN 0.529 nan 8.190 nan 0.000 0.452 1062 E N -0.376 119.819 120.200 -0.009 0.000 2.118 1062 E HA -0.248 4.099 4.350 -0.004 0.000 0.195 1062 E C 2.376 178.913 176.600 -0.105 0.000 0.992 1062 E CA 1.071 57.441 56.400 -0.049 0.000 0.804 1062 E CB -0.172 29.506 29.700 -0.036 0.000 0.741 1062 E HN 0.540 nan 8.360 nan 0.000 0.458 1063 Q N -0.022 119.664 119.800 -0.189 0.000 2.096 1063 Q HA -0.190 4.148 4.340 -0.004 0.000 0.204 1063 Q C 2.052 177.997 176.000 -0.093 0.000 0.982 1063 Q CA 1.290 56.938 55.803 -0.258 0.000 0.850 1063 Q CB -0.308 28.107 28.738 -0.539 0.000 0.901 1063 Q HN 0.363 nan 8.270 nan 0.000 0.422 1064 F N 1.686 121.557 119.950 -0.131 0.000 2.146 1064 F HA -0.177 4.347 4.527 -0.004 0.000 0.298 1064 F C 2.026 177.786 175.800 -0.065 0.000 1.096 1064 F CA 1.348 59.297 58.000 -0.084 0.000 1.275 1064 F CB 0.126 39.095 39.000 -0.052 0.000 1.008 1064 F HN 0.088 nan 8.300 nan 0.000 0.480 1065 E N -0.008 120.050 120.200 -0.237 0.000 2.085 1065 E HA -0.310 4.037 4.350 -0.004 0.000 0.194 1065 E C 1.967 178.413 176.600 -0.257 0.000 0.994 1065 E CA 1.538 57.764 56.400 -0.290 0.000 0.801 1065 E CB -0.270 29.357 29.700 -0.121 0.000 0.743 1065 E HN 0.514 nan 8.360 nan 0.000 0.453 1066 E N 0.981 121.068 120.200 -0.188 0.000 2.150 1066 E HA -0.169 4.178 4.350 -0.004 0.000 0.193 1066 E C 1.881 178.385 176.600 -0.160 0.000 0.985 1066 E CA 1.226 57.538 56.400 -0.146 0.000 0.814 1066 E CB -0.139 29.491 29.700 -0.117 0.000 0.752 1066 E HN 0.228 nan 8.360 nan 0.000 0.466 1067 M N -0.191 119.290 119.600 -0.199 0.000 2.086 1067 M HA -0.140 4.338 4.480 -0.004 0.000 0.261 1067 M C 2.204 178.376 176.300 -0.214 0.000 1.067 1067 M CA 1.491 56.686 55.300 -0.177 0.000 1.116 1067 M CB -0.253 32.260 32.600 -0.146 0.000 1.348 1067 M HN 0.057 nan 8.290 nan 0.000 0.407 1068 V N -0.374 119.326 119.914 -0.356 0.000 2.295 1068 V HA -0.309 3.808 4.120 -0.004 0.000 0.246 1068 V C 2.481 178.477 176.094 -0.164 0.000 1.049 1068 V CA 1.838 63.957 62.300 -0.303 0.000 1.024 1068 V CB -0.747 30.810 31.823 -0.443 0.000 0.648 1068 V HN 0.686 nan 8.190 nan 0.000 0.447 1069 C N 0.996 120.207 119.300 -0.149 0.000 2.413 1069 C HA -0.179 4.278 4.460 -0.004 0.000 0.276 1069 C C 3.398 178.350 174.990 -0.063 0.000 1.248 1069 C CA 1.713 60.683 59.018 -0.081 0.000 1.742 1069 C CB -1.111 26.584 27.740 -0.075 0.000 2.017 1069 C HN 0.791 nan 8.230 nan 0.000 0.481 1070 S N 1.188 116.843 115.700 -0.075 0.000 2.382 1070 S HA -0.141 4.327 4.470 -0.004 0.000 0.228 1070 S C 1.465 176.037 174.600 -0.046 0.000 1.027 1070 S CA 1.946 60.114 58.200 -0.054 0.000 0.991 1070 S CB -0.732 62.437 63.200 -0.052 0.000 0.823 1070 S HN 0.661 nan 8.310 nan 0.000 0.469 1071 I N 1.351 121.885 120.570 -0.060 0.000 2.480 1071 I HA 0.103 4.270 4.170 -0.004 0.000 0.251 1071 I C 2.489 178.590 176.117 -0.026 0.000 1.124 1071 I CA 0.795 62.066 61.300 -0.048 0.000 1.444 1071 I CB -0.560 37.397 38.000 -0.071 0.000 1.098 1071 I HN 0.077 nan 8.210 nan 0.000 0.428 1072 E N 1.616 121.805 120.200 -0.019 0.000 2.150 1072 E HA -0.030 4.318 4.350 -0.004 0.000 0.193 1072 E C 1.734 178.341 176.600 0.011 0.000 0.985 1072 E CA 1.122 57.531 56.400 0.015 0.000 0.814 1072 E CB -0.339 29.380 29.700 0.031 0.000 0.752 1072 E HN 0.600 nan 8.360 nan 0.000 0.466 1073 G N 1.231 110.029 108.800 -0.003 0.000 2.171 1073 G HA2 -0.208 3.749 3.960 -0.004 0.000 0.238 1073 G HA3 -0.208 3.749 3.960 -0.004 0.000 0.238 1073 G C 0.290 175.190 174.900 0.002 0.000 1.039 1073 G CA 0.322 45.422 45.100 -0.002 0.000 0.759 1073 G HN 0.534 nan 8.290 nan 0.000 0.501 1074 A N -0.677 122.143 122.820 0.000 0.000 2.242 1074 A HA 0.959 5.276 4.320 -0.004 0.000 0.304 1074 A C 1.569 179.155 177.584 0.003 0.000 1.100 1074 A CA 0.526 52.568 52.037 0.008 0.000 0.860 1074 A CB 0.781 19.791 19.000 0.017 0.000 1.168 1074 A HN 1.663 nan 8.150 nan 0.000 0.503 1075 A N -0.945 121.881 122.820 0.010 0.000 2.072 1075 A HA 0.510 4.828 4.320 -0.004 0.000 0.216 1075 A C 1.034 178.622 177.584 0.007 0.000 1.156 1075 A CA 1.330 53.371 52.037 0.008 0.000 0.701 1075 A CB -0.417 18.591 19.000 0.013 0.000 0.816 1075 A HN 2.191 nan 8.150 nan 0.000 0.458 1076 G N -2.327 106.482 108.800 0.015 0.000 2.489 1076 G HA2 0.483 4.440 3.960 -0.004 0.000 0.291 1076 G HA3 0.483 4.440 3.960 -0.004 0.000 0.291 1076 G C -1.215 173.698 174.900 0.022 0.000 1.487 1076 G CA 0.013 45.118 45.100 0.009 0.000 0.795 1076 G HN 0.254 nan 8.290 nan 0.000 0.513 1077 S N -1.269 114.432 115.700 0.001 0.000 2.599 1077 S HA 0.916 5.383 4.470 -0.004 0.000 0.287 1077 S C -0.304 174.305 174.600 0.016 0.000 1.105 1077 S CA -0.069 58.141 58.200 0.016 0.000 0.899 1077 S CB 1.903 65.071 63.200 -0.053 0.000 1.100 1077 S HN 1.777 nan 8.310 nan 0.000 0.482 1078 A N 1.119 123.980 122.820 0.069 0.000 2.359 1078 A HA 0.843 5.160 4.320 -0.004 0.000 0.303 1078 A C -0.422 177.109 177.584 -0.088 0.000 1.066 1078 A CA -0.662 51.349 52.037 -0.043 0.000 0.730 1078 A CB 1.010 19.997 19.000 -0.021 0.000 1.211 1078 A HN 1.029 nan 8.150 nan 0.000 0.439 1079 A N 1.643 124.350 122.820 -0.188 0.000 2.304 1079 A HA 0.885 5.202 4.320 -0.004 0.000 0.301 1079 A C -0.762 176.576 177.584 -0.410 0.000 1.132 1079 A CA -0.124 51.896 52.037 -0.029 0.000 0.819 1079 A CB 0.149 19.263 19.000 0.190 0.000 1.094 1079 A HN 0.767 nan 8.150 nan 0.000 0.492 1080 F N -0.475 119.564 119.950 0.148 0.000 2.640 1080 F HA 0.535 5.060 4.527 -0.004 0.000 0.324 1080 F C 1.516 177.366 175.800 0.083 0.000 1.077 1080 F CA -0.055 58.011 58.000 0.110 0.000 0.965 1080 F CB 1.841 40.912 39.000 0.119 0.000 1.351 1080 F HN 0.609 nan 8.300 nan 0.000 0.487 1081 G N -0.287 108.666 108.800 0.255 0.000 2.625 1081 G HA2 0.269 4.227 3.960 -0.004 0.000 0.214 1081 G HA3 0.269 4.227 3.960 -0.004 0.000 0.214 1081 G C -0.202 174.780 174.900 0.137 0.000 1.132 1081 G CA 0.913 46.101 45.100 0.148 0.000 0.782 1081 G HN 0.651 nan 8.290 nan 0.000 0.538 1082 S N -3.675 112.133 115.700 0.181 0.000 2.597 1082 S HA 0.490 4.957 4.470 -0.004 0.000 0.274 1082 S C 1.033 175.707 174.600 0.124 0.000 1.132 1082 S CA 0.181 58.454 58.200 0.122 0.000 0.835 1082 S CB 0.954 64.206 63.200 0.086 0.000 1.092 1082 S HN 0.464 nan 8.310 nan 0.000 0.457 1083 G N 1.071 109.922 108.800 0.085 0.000 2.505 1083 G HA2 -0.211 3.746 3.960 -0.004 0.000 0.220 1083 G HA3 -0.211 3.746 3.960 -0.004 0.000 0.220 1083 G C 1.176 176.089 174.900 0.022 0.000 1.145 1083 G CA 1.480 46.616 45.100 0.059 0.000 0.761 1083 G HN 0.584 nan 8.290 nan 0.000 0.571 1084 M N 1.074 120.695 119.600 0.035 0.000 2.159 1084 M HA 0.007 4.485 4.480 -0.004 0.000 0.263 1084 M C 2.802 179.088 176.300 -0.023 0.000 1.063 1084 M CA 1.123 56.439 55.300 0.026 0.000 1.110 1084 M CB -1.717 30.920 32.600 0.062 0.000 1.374 1084 M HN 0.272 nan 8.290 nan 0.000 0.411 1085 G N -0.303 108.489 108.800 -0.012 0.000 2.422 1085 G HA2 -0.041 3.917 3.960 -0.004 0.000 0.218 1085 G HA3 -0.041 3.917 3.960 -0.004 0.000 0.218 1085 G C 1.665 176.247 174.900 -0.531 0.000 1.146 1085 G CA 1.094 46.155 45.100 -0.065 0.000 0.769 1085 G HN 0.546 nan 8.290 nan 0.000 0.547 1086 A N 0.580 123.070 122.820 -0.549 0.000 1.930 1086 A HA 0.133 4.451 4.320 -0.004 0.000 0.217 1086 A C 2.376 179.729 177.584 -0.385 0.000 1.175 1086 A CA 1.058 52.598 52.037 -0.829 0.000 0.627 1086 A CB -0.266 18.612 19.000 -0.204 0.000 0.815 1086 A HN 0.371 nan 8.150 nan 0.000 0.443 1087 I N -0.830 119.653 120.570 -0.145 0.000 2.202 1087 I HA -0.193 3.975 4.170 -0.004 0.000 0.242 1087 I C 2.750 178.860 176.117 -0.012 0.000 1.091 1087 I CA 1.248 62.553 61.300 0.008 0.000 1.368 1087 I CB -0.374 37.637 38.000 0.018 0.000 1.058 1087 I HN 0.228 nan 8.210 nan 0.000 0.410 1088 S N 0.546 116.214 115.700 -0.052 0.000 2.359 1088 S HA -0.202 4.265 4.470 -0.004 0.000 0.223 1088 S C 2.143 176.638 174.600 -0.175 0.000 1.039 1088 S CA 2.088 60.274 58.200 -0.023 0.000 1.042 1088 S CB -0.210 63.019 63.200 0.049 0.000 0.915 1088 S HN 0.402 nan 8.310 nan 0.000 0.439 1089 S N 0.944 116.512 115.700 -0.221 0.000 2.453 1089 S HA 0.043 4.511 4.470 -0.004 0.000 0.231 1089 S C 1.818 176.268 174.600 -0.250 0.000 1.005 1089 S CA 0.567 58.576 58.200 -0.318 0.000 0.949 1089 S CB -0.099 63.131 63.200 0.049 0.000 0.774 1089 S HN 0.402 nan 8.310 nan 0.000 0.510 1090 S N 0.885 116.529 115.700 -0.092 0.000 2.558 1090 S HA 0.020 4.488 4.470 -0.004 0.000 0.217 1090 S C 1.950 176.693 174.600 0.238 0.000 0.975 1090 S CA 0.918 59.203 58.200 0.140 0.000 0.912 1090 S CB 0.023 63.320 63.200 0.162 0.000 0.776 1090 S HN 0.837 nan 8.310 nan 0.000 0.526 1091 T N -0.334 114.272 114.554 0.086 0.000 3.151 1091 T HA 0.289 4.636 4.350 -0.004 0.000 0.239 1091 T C 1.581 176.286 174.700 0.009 0.000 0.979 1091 T CA -0.133 62.038 62.100 0.118 0.000 1.194 1091 T CB -0.606 68.329 68.868 0.111 0.000 0.982 1091 T HN 0.191 nan 8.240 nan 0.000 0.428 1092 L N 1.515 122.633 121.223 -0.174 0.000 2.465 1092 L HA 0.283 4.620 4.340 -0.004 0.000 0.224 1092 L C 2.982 179.572 176.870 -0.466 0.000 1.145 1092 L CA 0.663 55.360 54.840 -0.239 0.000 0.834 1092 L CB -0.515 41.454 42.059 -0.150 0.000 0.944 1092 L HN 0.428 nan 8.230 nan 0.000 0.451 1093 A N -0.572 121.793 122.820 -0.757 0.000 2.121 1093 A HA -0.072 4.246 4.320 -0.004 0.000 0.218 1093 A C 1.740 178.906 177.584 -0.698 0.000 1.154 1093 A CA 1.293 52.892 52.037 -0.731 0.000 0.679 1093 A CB -0.323 18.166 19.000 -0.852 0.000 0.795 1093 A HN 0.410 nan 8.150 nan 0.000 0.458 1094 F N -1.365 118.545 119.950 -0.067 0.000 2.577 1094 F HA 0.352 4.876 4.527 -0.004 0.000 0.276 1094 F C 0.542 176.331 175.800 -0.019 0.000 1.032 1094 F CA -0.453 57.533 58.000 -0.023 0.000 1.297 1094 F CB 0.065 39.053 39.000 -0.020 0.000 1.061 1094 F HN -0.128 nan 8.300 nan 0.000 0.680 1095 L N 2.548 123.857 121.223 0.144 0.000 2.349 1095 L HA 0.297 4.635 4.340 -0.004 0.000 0.275 1095 L C -0.133 176.776 176.870 0.065 0.000 1.115 1095 L CA -0.164 54.724 54.840 0.080 0.000 0.820 1095 L CB 0.809 42.890 42.059 0.036 0.000 1.135 1095 L HN 0.226 nan 8.230 nan 0.000 0.445 1096 Q N 2.502 122.339 119.800 0.063 0.000 2.544 1096 Q HA 0.396 4.733 4.340 -0.004 0.000 0.291 1096 Q C -0.965 175.075 176.000 0.067 0.000 1.068 1096 Q CA -1.182 54.660 55.803 0.064 0.000 0.785 1096 Q CB 1.727 30.495 28.738 0.051 0.000 1.481 1096 Q HN 0.291 nan 8.270 nan 0.000 0.430 1097 K N -0.260 120.185 120.400 0.076 0.000 2.543 1097 K HA -0.045 4.272 4.320 -0.004 0.000 0.279 1097 K C 0.649 177.279 176.600 0.050 0.000 1.001 1097 K CA 2.129 58.459 56.287 0.072 0.000 1.088 1097 K CB -0.424 32.118 32.500 0.070 0.000 0.863 1097 K HN 0.966 nan 8.250 nan 0.000 0.488 1098 G N 3.434 112.259 108.800 0.043 0.000 2.241 1098 G HA2 -0.209 3.749 3.960 -0.004 0.000 0.244 1098 G HA3 -0.209 3.749 3.960 -0.004 0.000 0.244 1098 G C -0.160 174.760 174.900 0.034 0.000 0.998 1098 G CA 0.289 45.408 45.100 0.032 0.000 0.621 1098 G HN 0.699 nan 8.290 nan 0.000 0.519 1099 D N 0.162 120.586 120.400 0.039 0.000 2.344 1099 D HA 0.568 5.205 4.640 -0.004 0.000 0.244 1099 D C 0.220 176.555 176.300 0.057 0.000 1.134 1099 D CA 0.196 54.218 54.000 0.038 0.000 0.930 1099 D CB 1.043 41.858 40.800 0.025 0.000 1.175 1099 D HN 0.467 nan 8.370 nan 0.000 0.437 1100 H N -0.136 118.875 119.070 -0.099 0.000 2.538 1100 H HA 0.539 5.093 4.556 -0.004 0.000 0.353 1100 H C -1.662 173.544 175.328 -0.204 0.000 1.109 1100 H CA -0.952 55.008 56.048 -0.146 0.000 1.192 1100 H CB 1.013 30.681 29.762 -0.157 0.000 1.555 1100 H HN 0.157 nan 8.280 nan 0.000 0.518 1101 L N 5.803 126.601 121.223 -0.708 0.000 2.341 1101 L HA 0.520 4.858 4.340 -0.004 0.000 0.278 1101 L C -1.448 174.908 176.870 -0.856 0.000 1.005 1101 L CA -0.428 54.002 54.840 -0.682 0.000 0.818 1101 L CB 1.027 42.774 42.059 -0.519 0.000 1.259 1101 L HN 0.726 nan 8.230 nan 0.000 0.418 1102 I N 5.222 125.396 120.570 -0.659 0.000 2.321 1102 I HA 0.680 4.847 4.170 -0.004 0.000 0.291 1102 I C 0.070 176.060 176.117 -0.213 0.000 0.998 1102 I CA -0.246 60.813 61.300 -0.402 0.000 1.227 1102 I CB 1.451 39.254 38.000 -0.327 0.000 1.368 1102 I HN 0.831 nan 8.210 nan 0.000 0.466 1103 A N 4.621 127.374 122.820 -0.112 0.000 2.384 1103 A HA 0.817 5.134 4.320 -0.004 0.000 0.312 1103 A C 0.126 177.781 177.584 0.119 0.000 1.113 1103 A CA -0.640 51.439 52.037 0.069 0.000 0.779 1103 A CB 1.164 20.246 19.000 0.136 0.000 1.307 1103 A HN 0.748 nan 8.150 nan 0.000 0.436 1104 G N 0.159 109.071 108.800 0.186 0.000 2.474 1104 G HA2 0.298 4.255 3.960 -0.004 0.000 0.233 1104 G HA3 0.298 4.255 3.960 -0.004 0.000 0.233 1104 G C 0.283 175.258 174.900 0.126 0.000 1.278 1104 G CA 0.564 45.746 45.100 0.136 0.000 0.861 1104 G HN 0.847 nan 8.290 nan 0.000 0.567 1105 D N -0.646 119.804 120.400 0.083 0.000 2.347 1105 D HA -0.001 4.636 4.640 -0.004 0.000 0.213 1105 D C 0.805 177.142 176.300 0.062 0.000 0.985 1105 D CA 0.426 54.466 54.000 0.067 0.000 0.879 1105 D CB 0.097 40.924 40.800 0.045 0.000 0.919 1105 D HN 0.162 nan 8.370 nan 0.000 0.526 1106 T N 0.891 115.484 114.554 0.066 0.000 2.809 1106 T HA 0.592 4.939 4.350 -0.004 0.000 0.296 1106 T C -0.314 174.432 174.700 0.076 0.000 1.015 1106 T CA -0.585 61.546 62.100 0.053 0.000 0.954 1106 T CB 0.956 69.838 68.868 0.024 0.000 0.950 1106 T HN 0.024 nan 8.240 nan 0.000 0.450 1107 L N 1.838 123.124 121.223 0.105 0.000 2.415 1107 L HA 0.531 4.868 4.340 -0.004 0.000 0.256 1107 L C -0.686 176.296 176.870 0.188 0.000 1.010 1107 L CA -1.624 53.290 54.840 0.122 0.000 0.826 1107 L CB 1.502 43.611 42.059 0.084 0.000 1.405 1107 L HN 0.502 nan 8.230 nan 0.000 0.410 1108 Y N 0.979 121.298 120.300 0.031 0.000 2.904 1108 Y HA -0.032 4.515 4.550 -0.005 0.000 0.336 1108 Y C 1.285 177.075 175.900 -0.184 0.000 1.263 1108 Y CA 0.829 58.904 58.100 -0.042 0.000 1.547 1108 Y CB 1.061 39.494 38.460 -0.046 0.000 1.272 1108 Y HN 0.708 nan 8.280 nan 0.000 0.596 1109 G N 3.522 111.594 108.800 -1.212 0.000 2.529 1109 G HA2 -0.334 3.623 3.960 -0.004 0.000 0.219 1109 G HA3 -0.334 3.623 3.960 -0.004 0.000 0.219 1109 G C 1.508 175.962 174.900 -0.744 0.000 1.177 1109 G CA 1.253 45.779 45.100 -0.957 0.000 0.773 1109 G HN 0.809 nan 8.290 nan 0.000 0.573 1110 C N 0.399 119.089 119.300 -1.017 0.000 2.446 1110 C HA 0.081 4.539 4.460 -0.004 0.000 0.279 1110 C C 3.179 177.992 174.990 -0.296 0.000 1.366 1110 C CA 1.228 59.974 59.018 -0.453 0.000 1.763 1110 C CB -0.962 26.652 27.740 -0.209 0.000 1.929 1110 C HN 0.464 nan 8.230 nan 0.000 0.509 1111 T N 1.167 115.525 114.554 -0.326 0.000 2.777 1111 T HA -0.133 4.215 4.350 -0.004 0.000 0.266 1111 T C 1.916 176.261 174.700 -0.593 0.000 1.040 1111 T CA 1.498 63.292 62.100 -0.509 0.000 1.141 1111 T CB -0.294 68.298 68.868 -0.461 0.000 0.868 1111 T HN 0.366 nan 8.240 nan 0.000 0.444 1112 V N 1.477 121.182 119.914 -0.349 0.000 2.282 1112 V HA -0.202 3.915 4.120 -0.004 0.000 0.249 1112 V C 2.726 178.745 176.094 -0.125 0.000 1.057 1112 V CA 2.098 64.287 62.300 -0.184 0.000 1.032 1112 V CB -0.908 30.841 31.823 -0.125 0.000 0.645 1112 V HN 0.519 nan 8.190 nan 0.000 0.447 1113 S N -0.433 115.177 115.700 -0.150 0.000 2.382 1113 S HA -0.178 4.290 4.470 -0.004 0.000 0.228 1113 S C 1.919 176.548 174.600 0.049 0.000 1.027 1113 S CA 1.825 59.983 58.200 -0.070 0.000 0.991 1113 S CB -0.325 62.828 63.200 -0.078 0.000 0.823 1113 S HN 0.428 nan 8.310 nan 0.000 0.469 1114 L N 0.750 122.005 121.223 0.053 0.000 2.017 1114 L HA 0.111 4.449 4.340 -0.004 0.000 0.208 1114 L C 2.011 179.065 176.870 0.306 0.000 1.073 1114 L CA 1.946 56.928 54.840 0.236 0.000 0.745 1114 L CB -0.842 41.231 42.059 0.023 0.000 0.894 1114 L HN 0.482 nan 8.230 nan 0.000 0.432 1115 F N -1.018 118.926 119.950 -0.010 0.000 2.234 1115 F HA -0.144 4.381 4.527 -0.004 0.000 0.296 1115 F C 2.280 178.038 175.800 -0.071 0.000 1.089 1115 F CA 0.911 58.874 58.000 -0.062 0.000 1.343 1115 F CB -0.343 38.589 39.000 -0.112 0.000 1.040 1115 F HN 0.316 nan 8.300 nan 0.000 0.498 1116 T N -4.382 110.246 114.554 0.123 0.000 3.037 1116 T HA -0.048 4.299 4.350 -0.004 0.000 0.252 1116 T C 1.591 176.251 174.700 -0.067 0.000 1.073 1116 T CA 0.519 62.628 62.100 0.016 0.000 1.091 1116 T CB -0.232 68.639 68.868 0.005 0.000 0.935 1116 T HN 0.311 nan 8.240 nan 0.000 0.488 1117 H N -0.843 118.099 119.070 -0.214 0.000 2.393 1117 H HA 0.174 4.728 4.556 -0.004 0.000 0.307 1117 H C 1.476 176.453 175.328 -0.585 0.000 1.038 1117 H CA 0.496 56.266 56.048 -0.463 0.000 1.351 1117 H CB 0.064 29.424 29.762 -0.670 0.000 1.464 1117 H HN 0.424 nan 8.280 nan 0.000 0.575 1118 W N 1.457 122.683 121.300 -0.122 0.000 2.444 1118 W HA 0.039 4.696 4.660 -0.004 0.000 0.308 1118 W C 2.661 178.829 176.519 -0.586 0.000 1.183 1118 W CA 0.109 57.237 57.345 -0.363 0.000 1.340 1118 W CB -0.371 29.018 29.460 -0.119 0.000 1.138 1118 W HN 0.032 nan 8.180 nan 0.000 0.510 1119 L N 0.294 121.498 121.223 -0.031 0.000 2.013 1119 L HA -0.192 4.145 4.340 -0.004 0.000 0.212 1119 L C -0.395 176.405 176.870 -0.115 0.000 1.073 1119 L CA 1.567 56.397 54.840 -0.017 0.000 0.753 1119 L CB -2.531 39.553 42.059 0.041 0.000 0.890 1119 L HN -0.074 nan 8.230 nan 0.000 0.432 1120 P HA -0.160 nan 4.420 nan 0.000 0.218 1120 P C 1.466 178.659 177.300 -0.179 0.000 1.148 1120 P CA 1.411 64.424 63.100 -0.146 0.000 0.822 1120 P CB -0.104 31.493 31.700 -0.172 0.000 0.784 1121 R N -1.505 118.791 120.500 -0.339 0.000 2.148 1121 R HA -0.017 4.321 4.340 -0.004 0.000 0.227 1121 R C 1.509 177.756 176.300 -0.088 0.000 1.103 1121 R CA 0.968 56.886 56.100 -0.302 0.000 0.983 1121 R CB -0.602 29.428 30.300 -0.450 0.000 0.874 1121 R HN 0.306 nan 8.270 nan 0.000 0.451 1122 F N -0.294 119.693 119.950 0.061 0.000 2.664 1122 F HA 0.251 4.775 4.527 -0.005 0.000 0.301 1122 F C 1.376 177.197 175.800 0.036 0.000 1.126 1122 F CA -0.128 57.911 58.000 0.064 0.000 1.373 1122 F CB 0.711 39.764 39.000 0.089 0.000 1.042 1122 F HN 0.139 nan 8.300 nan 0.000 0.535 1123 G N 1.570 110.451 108.800 0.135 0.000 2.148 1123 G HA2 -0.327 3.630 3.960 -0.004 0.000 0.254 1123 G HA3 -0.327 3.630 3.960 -0.004 0.000 0.254 1123 G C 0.080 175.020 174.900 0.067 0.000 0.981 1123 G CA -0.222 44.926 45.100 0.081 0.000 0.670 1123 G HN 0.375 nan 8.290 nan 0.000 0.528 1124 I N 0.968 121.580 120.570 0.070 0.000 2.365 1124 I HA 0.331 4.499 4.170 -0.004 0.000 0.291 1124 I C 0.514 176.633 176.117 0.004 0.000 1.004 1124 I CA -0.492 60.830 61.300 0.038 0.000 1.311 1124 I CB 1.029 39.054 38.000 0.042 0.000 1.401 1124 I HN 0.127 nan 8.210 nan 0.000 0.491 1125 E N 5.335 125.548 120.200 0.022 0.000 2.227 1125 E HA 0.492 4.839 4.350 -0.004 0.000 0.282 1125 E C -1.160 175.462 176.600 0.037 0.000 1.015 1125 E CA -0.561 55.873 56.400 0.057 0.000 0.823 1125 E CB 1.948 31.720 29.700 0.119 0.000 1.081 1125 E HN 0.255 nan 8.360 nan 0.000 0.396 1126 V N 3.324 123.235 119.914 -0.005 0.000 2.638 1126 V HA 0.302 4.419 4.120 -0.004 0.000 0.306 1126 V C -0.684 175.393 176.094 -0.028 0.000 1.052 1126 V CA -0.915 61.320 62.300 -0.108 0.000 0.885 1126 V CB 2.038 33.776 31.823 -0.141 0.000 0.999 1126 V HN 0.678 nan 8.190 nan 0.000 0.424 1127 D N 4.142 124.509 120.400 -0.055 0.000 2.649 1127 D HA 0.518 5.156 4.640 -0.004 0.000 0.249 1127 D C -0.857 175.428 176.300 -0.025 0.000 1.112 1127 D CA -0.326 53.680 54.000 0.009 0.000 0.850 1127 D CB 2.938 43.794 40.800 0.093 0.000 1.399 1127 D HN 0.324 nan 8.370 nan 0.000 0.503 1128 L N 3.038 124.269 121.223 0.012 0.000 2.264 1128 L HA 0.464 4.801 4.340 -0.004 0.000 0.289 1128 L C -0.250 176.642 176.870 0.035 0.000 1.044 1128 L CA -0.562 54.300 54.840 0.036 0.000 0.807 1128 L CB 0.974 43.065 42.059 0.054 0.000 1.192 1128 L HN 0.164 nan 8.230 nan 0.000 0.425 1129 I N 1.991 122.586 120.570 0.041 0.000 2.730 1129 I HA 0.183 4.350 4.170 -0.004 0.000 0.298 1129 I C -0.264 175.880 176.117 0.045 0.000 1.089 1129 I CA -0.647 60.678 61.300 0.041 0.000 1.041 1129 I CB 2.182 40.208 38.000 0.042 0.000 1.235 1129 I HN 0.493 nan 8.210 nan 0.000 0.423 1130 D N 3.174 123.597 120.400 0.039 0.000 2.357 1130 D HA 0.014 4.652 4.640 -0.004 0.000 0.265 1130 D C 1.224 177.548 176.300 0.040 0.000 1.334 1130 D CA 0.161 54.182 54.000 0.035 0.000 0.984 1130 D CB 0.557 41.372 40.800 0.025 0.000 1.077 1130 D HN 0.630 nan 8.370 nan 0.000 0.514 1131 T N -0.441 114.141 114.554 0.046 0.000 3.148 1131 T HA -0.086 4.261 4.350 -0.004 0.000 0.253 1131 T C 1.650 176.373 174.700 0.038 0.000 1.134 1131 T CA 0.462 62.591 62.100 0.048 0.000 1.051 1131 T CB -0.295 68.605 68.868 0.052 0.000 0.959 1131 T HN 0.245 nan 8.240 nan 0.000 0.525 1132 S N 0.178 115.896 115.700 0.030 0.000 2.561 1132 S HA 0.022 4.489 4.470 -0.004 0.000 0.225 1132 S C 0.424 175.032 174.600 0.014 0.000 0.977 1132 S CA -0.065 58.147 58.200 0.020 0.000 0.926 1132 S CB -0.242 62.962 63.200 0.008 0.000 0.769 1132 S HN 0.470 nan 8.310 nan 0.000 0.533 1133 D N 1.038 121.450 120.400 0.020 0.000 2.453 1133 D HA 0.265 4.903 4.640 -0.004 0.000 0.238 1133 D C 0.737 177.054 176.300 0.028 0.000 1.088 1133 D CA -0.484 53.526 54.000 0.018 0.000 0.854 1133 D CB 1.745 42.555 40.800 0.015 0.000 1.076 1133 D HN -0.049 nan 8.370 nan 0.000 0.533 1134 V N 4.574 124.502 119.914 0.022 0.000 2.490 1134 V HA -0.165 3.953 4.120 -0.004 0.000 0.250 1134 V C 1.680 177.793 176.094 0.032 0.000 1.061 1134 V CA 1.739 64.055 62.300 0.027 0.000 1.064 1134 V CB -0.075 31.751 31.823 0.005 0.000 0.670 1134 V HN 0.472 nan 8.190 nan 0.000 0.461 1135 E N 0.208 120.421 120.200 0.022 0.000 2.153 1135 E HA -0.202 4.145 4.350 -0.004 0.000 0.194 1135 E C 2.199 178.826 176.600 0.044 0.000 0.988 1135 E CA 1.254 57.668 56.400 0.024 0.000 0.811 1135 E CB -0.244 29.463 29.700 0.012 0.000 0.746 1135 E HN 0.651 nan 8.360 nan 0.000 0.466 1136 K N 0.318 120.747 120.400 0.049 0.000 2.155 1136 K HA -0.011 4.307 4.320 -0.004 0.000 0.203 1136 K C 2.169 178.825 176.600 0.095 0.000 1.052 1136 K CA 0.590 56.913 56.287 0.059 0.000 0.948 1136 K CB 0.133 32.660 32.500 0.046 0.000 0.728 1136 K HN -0.051 nan 8.250 nan 0.000 0.448 1137 V N 1.859 121.842 119.914 0.116 0.000 2.358 1137 V HA -0.223 3.894 4.120 -0.004 0.000 0.246 1137 V C 1.936 178.215 176.094 0.308 0.000 1.047 1137 V CA 1.668 64.084 62.300 0.193 0.000 1.035 1137 V CB -0.325 31.617 31.823 0.198 0.000 0.658 1137 V HN 0.263 nan 8.190 nan 0.000 0.452 1138 K N 0.604 121.125 120.400 0.201 0.000 2.097 1138 K HA -0.049 4.268 4.320 -0.004 0.000 0.205 1138 K C 2.237 178.946 176.600 0.181 0.000 1.050 1138 K CA 1.393 57.776 56.287 0.160 0.000 0.938 1138 K CB -0.397 32.110 32.500 0.012 0.000 0.718 1138 K HN 0.452 nan 8.250 nan 0.000 0.442 1139 A N 1.164 124.062 122.820 0.130 0.000 2.067 1139 A HA -0.011 4.307 4.320 -0.004 0.000 0.219 1139 A C 2.133 179.793 177.584 0.128 0.000 1.158 1139 A CA 1.562 53.661 52.037 0.104 0.000 0.661 1139 A CB -0.361 18.678 19.000 0.065 0.000 0.801 1139 A HN 0.307 nan 8.150 nan 0.000 0.452 1140 A N -2.232 120.688 122.820 0.166 0.000 2.275 1140 A HA 0.188 4.506 4.320 -0.004 0.000 0.212 1140 A C 0.674 178.370 177.584 0.187 0.000 1.201 1140 A CA -0.471 51.653 52.037 0.144 0.000 0.843 1140 A CB -0.246 18.829 19.000 0.124 0.000 0.873 1140 A HN 0.635 nan 8.150 nan 0.000 0.492 1141 W N 1.810 123.147 121.300 0.062 0.000 2.190 1141 W HA 0.364 5.022 4.660 -0.004 0.000 0.330 1141 W C -0.413 176.116 176.519 0.017 0.000 1.299 1141 W CA 0.444 57.832 57.345 0.071 0.000 1.215 1141 W CB 0.555 30.040 29.460 0.041 0.000 1.147 1141 W HN 0.100 nan 8.180 nan 0.000 0.563 1142 K N 4.234 124.702 120.400 0.113 0.000 2.444 1142 K HA 0.266 4.583 4.320 -0.004 0.000 0.252 1142 K C -1.871 174.807 176.600 0.130 0.000 0.993 1142 K CA -1.624 54.688 56.287 0.041 0.000 0.847 1142 K CB 1.797 34.166 32.500 -0.218 0.000 1.340 1142 K HN -0.016 nan 8.250 nan 0.000 0.446 1143 P HA -0.181 nan 4.420 nan 0.000 0.218 1143 P C 0.414 177.766 177.300 0.086 0.000 1.148 1143 P CA 1.381 64.542 63.100 0.101 0.000 0.822 1143 P CB 0.093 31.825 31.700 0.052 0.000 0.784 1144 N N -2.235 116.486 118.700 0.036 0.000 2.268 1144 N HA 0.001 4.738 4.740 -0.004 0.000 0.204 1144 N C -0.374 175.159 175.510 0.038 0.000 1.124 1144 N CA 0.267 53.337 53.050 0.035 0.000 0.838 1144 N CB -1.081 37.415 38.487 0.015 0.000 0.994 1144 N HN -0.080 nan 8.380 nan 0.000 0.489 1145 T N 1.792 116.347 114.554 0.001 0.000 2.829 1145 T HA 0.083 4.430 4.350 -0.004 0.000 0.293 1145 T C 0.945 175.567 174.700 -0.130 0.000 0.970 1145 T CA 0.071 62.076 62.100 -0.158 0.000 1.168 1145 T CB 1.067 69.485 68.868 -0.750 0.000 0.911 1145 T HN 0.086 nan 8.240 nan 0.000 0.535 1146 K N 2.207 122.524 120.400 -0.138 0.000 2.380 1146 K HA 0.342 4.659 4.320 -0.004 0.000 0.198 1146 K C 0.231 176.772 176.600 -0.099 0.000 1.070 1146 K CA 0.197 56.446 56.287 -0.064 0.000 1.040 1146 K CB 0.685 33.172 32.500 -0.021 0.000 0.903 1146 K HN 0.606 nan 8.250 nan 0.000 0.549 1147 M N 0.621 120.100 119.600 -0.201 0.000 2.414 1147 M HA 0.255 4.732 4.480 -0.004 0.000 0.287 1147 M C -1.882 174.266 176.300 -0.253 0.000 1.181 1147 M CA -0.596 54.599 55.300 -0.175 0.000 0.933 1147 M CB 2.230 34.752 32.600 -0.130 0.000 1.732 1147 M HN -0.307 nan 8.290 nan 0.000 0.486 1148 V N 4.007 123.834 119.914 -0.144 0.000 2.495 1148 V HA 0.468 4.585 4.120 -0.004 0.000 0.298 1148 V C -1.564 174.535 176.094 0.008 0.000 1.031 1148 V CA -0.570 61.668 62.300 -0.103 0.000 0.871 1148 V CB 1.751 33.553 31.823 -0.034 0.000 0.988 1148 V HN 0.765 nan 8.190 nan 0.000 0.432 1149 Y N 5.765 126.017 120.300 -0.080 0.000 2.328 1149 Y HA 0.749 5.296 4.550 -0.005 0.000 0.336 1149 Y C -0.872 175.063 175.900 0.058 0.000 0.960 1149 Y CA -0.673 57.436 58.100 0.016 0.000 1.134 1149 Y CB 1.259 39.767 38.460 0.078 0.000 1.166 1149 Y HN 0.523 nan 8.280 nan 0.000 0.464 1150 L N 5.331 126.385 121.223 -0.282 0.000 2.354 1150 L HA 0.569 4.907 4.340 -0.004 0.000 0.269 1150 L C -0.843 175.887 176.870 -0.233 0.000 1.005 1150 L CA -1.006 53.761 54.840 -0.122 0.000 0.819 1150 L CB 2.410 44.419 42.059 -0.083 0.000 1.311 1150 L HN 0.564 nan 8.230 nan 0.000 0.423 1151 E N 1.186 121.354 120.200 -0.052 0.000 2.199 1151 E HA 0.503 4.851 4.350 -0.004 0.000 0.265 1151 E C -1.409 175.172 176.600 -0.031 0.000 0.882 1151 E CA -0.211 56.156 56.400 -0.054 0.000 0.759 1151 E CB 2.165 31.869 29.700 0.007 0.000 1.148 1151 E HN 0.445 nan 8.360 nan 0.000 0.412 1152 S N 4.368 120.055 115.700 -0.022 0.000 2.603 1152 S HA 0.475 4.943 4.470 -0.004 0.000 0.274 1152 S C -2.844 171.800 174.600 0.074 0.000 1.168 1152 S CA -1.409 56.807 58.200 0.027 0.000 0.963 1152 S CB 1.194 64.415 63.200 0.035 0.000 1.078 1152 S HN 0.209 nan 8.310 nan 0.000 0.477 1153 P HA 0.360 nan 4.420 nan 0.000 0.271 1153 P C -0.788 176.484 177.300 -0.048 0.000 1.218 1153 P CA -0.262 62.901 63.100 0.106 0.000 0.780 1153 P CB 0.541 32.349 31.700 0.180 0.000 0.901 1154 A N 2.602 125.385 122.820 -0.061 0.000 2.386 1154 A HA 0.235 4.552 4.320 -0.004 0.000 0.248 1154 A C 0.416 177.766 177.584 -0.391 0.000 1.082 1154 A CA -0.189 51.748 52.037 -0.167 0.000 0.789 1154 A CB -0.227 18.750 19.000 -0.038 0.000 1.025 1154 A HN 0.559 nan 8.150 nan 0.000 0.490 1155 N N 1.512 119.922 118.700 -0.482 0.000 2.419 1155 N HA 0.360 5.097 4.740 -0.004 0.000 0.264 1155 N C -2.183 173.283 175.510 -0.072 0.000 1.031 1155 N CA -2.066 50.717 53.050 -0.445 0.000 0.951 1155 N CB 1.450 39.735 38.487 -0.336 0.000 1.101 1155 N HN 0.294 nan 8.380 nan 0.000 0.488 1156 P HA 0.148 nan 4.420 nan 0.000 0.282 1156 P C 0.417 177.749 177.300 0.053 0.000 1.327 1156 P CA 0.229 63.346 63.100 0.027 0.000 0.949 1156 P CB 0.197 31.884 31.700 -0.022 0.000 1.445 1157 T N -4.533 110.024 114.554 0.006 0.000 3.129 1157 T HA 0.051 4.399 4.350 -0.004 0.000 0.251 1157 T C 0.996 175.801 174.700 0.176 0.000 1.117 1157 T CA 0.165 62.317 62.100 0.086 0.000 1.034 1157 T CB -1.527 67.384 68.868 0.071 0.000 0.968 1157 T HN 0.033 nan 8.240 nan 0.000 0.526 1158 C N 1.035 120.416 119.300 0.135 0.000 4.326 1158 C HA -0.141 4.316 4.460 -0.004 0.000 0.284 1158 C C 0.733 175.915 174.990 0.321 0.000 1.419 1158 C CA 0.327 59.440 59.018 0.158 0.000 1.920 1158 C CB -2.602 25.126 27.740 -0.020 0.000 1.306 1158 C HN 0.803 nan 8.230 nan 0.000 0.786 1159 K N 0.750 121.311 120.400 0.268 0.000 2.484 1159 K HA 0.290 4.607 4.320 -0.004 0.000 0.280 1159 K C 0.058 176.774 176.600 0.192 0.000 1.013 1159 K CA 0.202 56.634 56.287 0.242 0.000 1.029 1159 K CB 0.502 33.071 32.500 0.116 0.000 0.902 1159 K HN 0.292 nan 8.250 nan 0.000 0.481 1160 V N 4.106 124.140 119.914 0.200 0.000 2.432 1160 V HA 0.128 4.245 4.120 -0.004 0.000 0.275 1160 V C -0.174 175.969 176.094 0.082 0.000 1.043 1160 V CA -0.430 61.964 62.300 0.158 0.000 0.925 1160 V CB 1.463 33.405 31.823 0.198 0.000 0.985 1160 V HN 0.797 nan 8.190 nan 0.000 0.466 1161 S N 2.791 118.531 115.700 0.066 0.000 2.565 1161 S HA 0.283 4.750 4.470 -0.004 0.000 0.290 1161 S C -0.250 174.370 174.600 0.034 0.000 1.150 1161 S CA -0.518 57.706 58.200 0.041 0.000 1.058 1161 S CB 1.322 64.541 63.200 0.033 0.000 1.032 1161 S HN 0.860 nan 8.310 nan 0.000 0.510 1162 D N 1.932 122.346 120.400 0.023 0.000 2.402 1162 D HA 0.206 4.843 4.640 -0.004 0.000 0.235 1162 D C 0.906 177.208 176.300 0.003 0.000 1.226 1162 D CA -0.160 53.848 54.000 0.013 0.000 0.918 1162 D CB -0.146 40.658 40.800 0.007 0.000 1.043 1162 D HN 0.421 nan 8.370 nan 0.000 0.506 1163 I N 2.825 123.396 120.570 0.002 0.000 2.202 1163 I HA -0.218 3.949 4.170 -0.004 0.000 0.242 1163 I C 2.393 178.492 176.117 -0.029 0.000 1.091 1163 I CA 0.694 61.987 61.300 -0.012 0.000 1.368 1163 I CB -0.063 37.933 38.000 -0.008 0.000 1.058 1163 I HN 0.340 nan 8.210 nan 0.000 0.410 1164 K N 0.927 121.315 120.400 -0.021 0.000 2.044 1164 K HA -0.179 4.138 4.320 -0.004 0.000 0.210 1164 K C 2.107 178.675 176.600 -0.053 0.000 1.049 1164 K CA 1.772 58.041 56.287 -0.030 0.000 0.927 1164 K CB -0.442 32.051 32.500 -0.011 0.000 0.713 1164 K HN 0.427 nan 8.250 nan 0.000 0.443 1165 G N 0.606 109.383 108.800 -0.039 0.000 2.408 1165 G HA2 -0.192 3.766 3.960 -0.004 0.000 0.217 1165 G HA3 -0.192 3.766 3.960 -0.004 0.000 0.217 1165 G C 1.447 176.309 174.900 -0.063 0.000 1.150 1165 G CA 0.655 45.727 45.100 -0.045 0.000 0.776 1165 G HN 0.222 nan 8.290 nan 0.000 0.542 1166 I N 1.146 121.688 120.570 -0.047 0.000 2.353 1166 I HA -0.057 4.111 4.170 -0.004 0.000 0.248 1166 I C 3.228 179.290 176.117 -0.091 0.000 1.119 1166 I CA 0.691 61.975 61.300 -0.027 0.000 1.417 1166 I CB -0.106 37.904 38.000 0.017 0.000 1.078 1166 I HN 0.226 nan 8.210 nan 0.000 0.421 1167 A N 0.651 123.369 122.820 -0.170 0.000 1.908 1167 A HA -0.167 4.150 4.320 -0.004 0.000 0.218 1167 A C 2.434 179.602 177.584 -0.693 0.000 1.181 1167 A CA 1.708 53.496 52.037 -0.416 0.000 0.627 1167 A CB -0.967 17.815 19.000 -0.364 0.000 0.818 1167 A HN 0.232 nan 8.150 nan 0.000 0.445 1168 V N -0.245 119.447 119.914 -0.370 0.000 2.282 1168 V HA -0.283 3.835 4.120 -0.004 0.000 0.249 1168 V C 2.590 178.563 176.094 -0.201 0.000 1.057 1168 V CA 2.221 64.385 62.300 -0.227 0.000 1.032 1168 V CB -0.871 30.889 31.823 -0.104 0.000 0.645 1168 V HN 0.408 nan 8.190 nan 0.000 0.447 1169 V N -1.155 118.626 119.914 -0.221 0.000 2.307 1169 V HA -0.277 3.840 4.120 -0.004 0.000 0.245 1169 V C 2.538 178.447 176.094 -0.307 0.000 1.045 1169 V CA 2.119 64.222 62.300 -0.328 0.000 1.024 1169 V CB -0.904 30.677 31.823 -0.404 0.000 0.651 1169 V HN 0.643 nan 8.190 nan 0.000 0.449 1170 C N -0.110 119.142 119.300 -0.080 0.000 2.401 1170 C HA -0.220 4.237 4.460 -0.004 0.000 0.276 1170 C C 2.570 177.649 174.990 0.148 0.000 1.233 1170 C CA 1.422 60.539 59.018 0.164 0.000 1.753 1170 C CB -1.483 26.340 27.740 0.138 0.000 2.029 1170 C HN 0.657 nan 8.230 nan 0.000 0.478 1171 H N -0.079 118.999 119.070 0.013 0.000 2.389 1171 H HA -0.113 4.441 4.556 -0.004 0.000 0.299 1171 H C 2.216 177.530 175.328 -0.022 0.000 1.081 1171 H CA 1.174 57.221 56.048 -0.003 0.000 1.345 1171 H CB -0.063 29.690 29.762 -0.015 0.000 1.393 1171 H HN 0.600 nan 8.280 nan 0.000 0.520 1172 E N 0.572 120.808 120.200 0.060 0.000 2.208 1172 E HA -0.074 4.273 4.350 -0.004 0.000 0.193 1172 E C 1.465 178.046 176.600 -0.031 0.000 0.988 1172 E CA 0.592 56.981 56.400 -0.018 0.000 0.828 1172 E CB 0.253 29.897 29.700 -0.092 0.000 0.763 1172 E HN 0.414 nan 8.360 nan 0.000 0.478 1173 R N -0.926 119.559 120.500 -0.024 0.000 2.472 1173 R HA 0.179 4.516 4.340 -0.004 0.000 0.279 1173 R C 0.505 176.907 176.300 0.170 0.000 0.953 1173 R CA 0.413 56.531 56.100 0.030 0.000 1.088 1173 R CB 1.298 31.527 30.300 -0.118 0.000 1.197 1173 R HN 0.124 nan 8.270 nan 0.000 0.536 1174 G N 1.361 110.249 108.800 0.146 0.000 2.225 1174 G HA2 -0.275 3.682 3.960 -0.004 0.000 0.264 1174 G HA3 -0.275 3.682 3.960 -0.004 0.000 0.264 1174 G C -0.069 174.927 174.900 0.160 0.000 1.060 1174 G CA 0.220 45.398 45.100 0.131 0.000 0.833 1174 G HN 0.469 nan 8.290 nan 0.000 0.498 1175 A N -0.293 122.664 122.820 0.228 0.000 2.325 1175 A HA 0.879 5.197 4.320 -0.004 0.000 0.333 1175 A C 0.571 178.211 177.584 0.094 0.000 1.155 1175 A CA -0.674 51.464 52.037 0.169 0.000 0.814 1175 A CB 0.887 20.048 19.000 0.269 0.000 1.206 1175 A HN 0.471 nan 8.150 nan 0.000 0.482 1176 R N 0.290 120.785 120.500 -0.009 0.000 2.438 1176 R HA 0.319 4.657 4.340 -0.004 0.000 0.287 1176 R C -0.991 175.295 176.300 -0.023 0.000 1.077 1176 R CA -0.521 55.544 56.100 -0.057 0.000 1.034 1176 R CB 0.775 30.947 30.300 -0.213 0.000 0.993 1176 R HN 0.523 nan 8.270 nan 0.000 0.459 1177 L N 4.237 125.460 121.223 -0.001 0.000 2.265 1177 L HA 0.290 4.627 4.340 -0.004 0.000 0.289 1177 L C -1.006 175.838 176.870 -0.044 0.000 1.033 1177 L CA -0.328 54.505 54.840 -0.012 0.000 0.814 1177 L CB 1.596 43.654 42.059 -0.002 0.000 1.203 1177 L HN 0.274 nan 8.230 nan 0.000 0.423 1178 V N 6.080 125.955 119.914 -0.065 0.000 2.398 1178 V HA 0.555 4.672 4.120 -0.004 0.000 0.286 1178 V C -0.333 175.589 176.094 -0.287 0.000 1.026 1178 V CA -0.653 61.585 62.300 -0.104 0.000 0.868 1178 V CB 1.694 33.536 31.823 0.031 0.000 0.982 1178 V HN 0.504 nan 8.190 nan 0.000 0.443 1179 V N 3.504 123.263 119.914 -0.258 0.000 2.487 1179 V HA 0.406 4.524 4.120 -0.004 0.000 0.298 1179 V C -0.550 175.359 176.094 -0.310 0.000 1.028 1179 V CA -0.591 61.528 62.300 -0.301 0.000 0.860 1179 V CB 2.034 33.761 31.823 -0.160 0.000 0.991 1179 V HN 0.904 nan 8.190 nan 0.000 0.427 1180 D N 4.223 124.403 120.400 -0.367 0.000 2.347 1180 D HA 0.488 5.126 4.640 -0.004 0.000 0.235 1180 D C 0.420 176.612 176.300 -0.179 0.000 1.149 1180 D CA -0.240 53.622 54.000 -0.232 0.000 0.850 1180 D CB 1.892 42.629 40.800 -0.105 0.000 1.061 1180 D HN 0.635 nan 8.370 nan 0.000 0.487 1181 A N 3.253 125.897 122.820 -0.293 0.000 2.574 1181 A HA 0.151 4.468 4.320 -0.004 0.000 0.283 1181 A C 1.735 179.346 177.584 0.045 0.000 1.270 1181 A CA -0.263 51.677 52.037 -0.161 0.000 0.945 1181 A CB -0.046 18.844 19.000 -0.183 0.000 1.127 1181 A HN 0.564 nan 8.150 nan 0.000 0.522 1182 T N -0.142 114.476 114.554 0.108 0.000 2.653 1182 T HA -0.192 4.156 4.350 -0.004 0.000 0.268 1182 T C 1.294 176.298 174.700 0.508 0.000 1.035 1182 T CA 1.845 64.166 62.100 0.369 0.000 1.154 1182 T CB -0.408 68.619 68.868 0.266 0.000 0.862 1182 T HN 0.466 nan 8.240 nan 0.000 0.441 1183 F N 1.313 121.385 119.950 0.204 0.000 2.546 1183 F HA 0.030 4.554 4.527 -0.005 0.000 0.298 1183 F C 2.360 178.294 175.800 0.223 0.000 1.120 1183 F CA 0.636 58.788 58.000 0.254 0.000 1.456 1183 F CB -0.371 38.729 39.000 0.167 0.000 1.088 1183 F HN 0.150 nan 8.300 nan 0.000 0.572 1184 T N -1.900 112.837 114.554 0.305 0.000 2.955 1184 T HA 0.163 4.510 4.350 -0.004 0.000 0.251 1184 T C 0.299 175.026 174.700 0.044 0.000 1.002 1184 T CA 0.687 62.884 62.100 0.163 0.000 0.970 1184 T CB -0.082 68.916 68.868 0.216 0.000 1.091 1184 T HN 0.232 nan 8.240 nan 0.000 0.495 1185 S N 1.535 117.313 115.700 0.130 0.000 3.461 1185 S HA -0.073 4.394 4.470 -0.004 0.000 0.820 1185 S C -2.631 172.000 174.600 0.051 0.000 1.142 1185 S CA -0.108 58.115 58.200 0.037 0.000 1.078 1185 S CB -1.131 61.937 63.200 -0.220 0.000 0.674 1185 S HN 0.163 nan 8.310 nan 0.000 0.333 1186 P HA 0.160 nan 4.420 nan 0.000 0.237 1186 P C 1.477 178.718 177.300 -0.100 0.000 1.178 1186 P CA 1.002 64.093 63.100 -0.015 0.000 0.766 1186 P CB -0.597 31.043 31.700 -0.100 0.000 0.876 1187 C N -1.654 117.492 119.300 -0.256 0.000 2.435 1187 C HA 0.019 4.476 4.460 -0.004 0.000 0.279 1187 C C 2.317 177.144 174.990 -0.272 0.000 1.321 1187 C CA 0.725 59.505 59.018 -0.397 0.000 1.752 1187 C CB -1.928 25.328 27.740 -0.806 0.000 1.959 1187 C HN 0.205 nan 8.230 nan 0.000 0.500 1188 F N -1.561 118.363 119.950 -0.043 0.000 2.752 1188 F HA 0.373 4.897 4.527 -0.004 0.000 0.310 1188 F C 0.280 176.053 175.800 -0.045 0.000 1.097 1188 F CA -0.394 57.564 58.000 -0.070 0.000 1.238 1188 F CB 0.495 39.426 39.000 -0.115 0.000 1.061 1188 F HN -0.008 nan 8.300 nan 0.000 0.591 1189 L N 1.256 122.574 121.223 0.158 0.000 2.439 1189 L HA 0.435 4.772 4.340 -0.004 0.000 0.270 1189 L C -1.136 175.792 176.870 0.096 0.000 0.972 1189 L CA -0.670 54.238 54.840 0.114 0.000 0.836 1189 L CB 1.551 43.683 42.059 0.122 0.000 1.255 1189 L HN -0.098 nan 8.230 nan 0.000 0.404 1190 K N 6.601 127.041 120.400 0.067 0.000 2.592 1190 K HA 0.420 4.737 4.320 -0.004 0.000 0.212 1190 K C -2.077 174.548 176.600 0.042 0.000 1.013 1190 K CA -1.447 54.874 56.287 0.058 0.000 1.034 1190 K CB 1.490 34.016 32.500 0.043 0.000 1.292 1190 K HN 0.345 nan 8.250 nan 0.000 0.521 1191 P HA -0.127 nan 4.420 nan 0.000 0.218 1191 P C 0.885 178.199 177.300 0.022 0.000 1.149 1191 P CA 0.905 64.014 63.100 0.015 0.000 0.817 1191 P CB 0.238 31.929 31.700 -0.015 0.000 0.785 1192 L N -0.313 120.927 121.223 0.027 0.000 2.127 1192 L HA -0.171 4.166 4.340 -0.004 0.000 0.211 1192 L C 2.077 178.965 176.870 0.032 0.000 1.089 1192 L CA 1.510 56.368 54.840 0.030 0.000 0.757 1192 L CB -1.025 41.049 42.059 0.026 0.000 0.899 1192 L HN 0.076 nan 8.230 nan 0.000 0.434 1193 E N 0.065 120.282 120.200 0.029 0.000 2.358 1193 E HA -0.064 4.284 4.350 -0.004 0.000 0.195 1193 E C 1.981 178.601 176.600 0.033 0.000 1.010 1193 E CA 0.543 56.959 56.400 0.027 0.000 0.856 1193 E CB 0.131 29.846 29.700 0.023 0.000 0.795 1193 E HN 0.541 nan 8.360 nan 0.000 0.504 1194 L N -0.946 120.297 121.223 0.034 0.000 2.585 1194 L HA 0.231 4.569 4.340 -0.004 0.000 0.226 1194 L C 1.377 178.277 176.870 0.049 0.000 1.113 1194 L CA 0.404 55.263 54.840 0.031 0.000 0.876 1194 L CB 0.562 42.632 42.059 0.018 0.000 1.072 1194 L HN 0.272 nan 8.230 nan 0.000 0.468 1195 G N -0.314 108.536 108.800 0.083 0.000 2.205 1195 G HA2 -0.172 3.785 3.960 -0.004 0.000 0.180 1195 G HA3 -0.172 3.785 3.960 -0.004 0.000 0.180 1195 G C 0.426 175.432 174.900 0.177 0.000 1.004 1195 G CA -0.173 45.034 45.100 0.179 0.000 0.670 1195 G HN 0.373 nan 8.290 nan 0.000 0.496 1196 A N 0.273 123.138 122.820 0.075 0.000 2.429 1196 A HA 0.528 4.845 4.320 -0.004 0.000 0.242 1196 A C 1.104 178.724 177.584 0.059 0.000 1.088 1196 A CA 0.994 53.059 52.037 0.047 0.000 0.784 1196 A CB 0.278 19.276 19.000 -0.003 0.000 1.038 1196 A HN 0.186 nan 8.150 nan 0.000 0.501 1197 D N -0.543 119.873 120.400 0.026 0.000 2.355 1197 D HA 0.209 4.846 4.640 -0.004 0.000 0.206 1197 D C -0.150 176.142 176.300 -0.013 0.000 1.010 1197 D CA 1.103 55.100 54.000 -0.005 0.000 0.875 1197 D CB 0.337 41.106 40.800 -0.051 0.000 0.966 1197 D HN 0.454 nan 8.370 nan 0.000 0.512 1198 I N 0.536 121.099 120.570 -0.012 0.000 2.607 1198 I HA 0.387 4.554 4.170 -0.004 0.000 0.290 1198 I C -1.148 174.965 176.117 -0.007 0.000 1.129 1198 I CA -0.803 60.504 61.300 0.011 0.000 1.042 1198 I CB 2.512 40.528 38.000 0.026 0.000 1.242 1198 I HN -0.243 nan 8.210 nan 0.000 0.421 1199 A N 6.808 129.635 122.820 0.012 0.000 2.343 1199 A HA 0.941 5.259 4.320 -0.004 0.000 0.316 1199 A C -1.054 176.524 177.584 -0.010 0.000 1.104 1199 A CA -0.440 51.580 52.037 -0.028 0.000 0.768 1199 A CB 1.239 20.246 19.000 0.011 0.000 1.213 1199 A HN 0.623 nan 8.150 nan 0.000 0.456 1200 L N -0.261 120.890 121.223 -0.120 0.000 2.327 1200 L HA 0.843 5.180 4.340 -0.004 0.000 0.258 1200 L C -0.634 176.079 176.870 -0.263 0.000 1.024 1200 L CA -0.516 54.299 54.840 -0.042 0.000 0.825 1200 L CB 1.714 43.795 42.059 0.037 0.000 1.386 1200 L HN 0.663 nan 8.230 nan 0.000 0.417 1201 H N -0.585 118.552 119.070 0.111 0.000 2.996 1201 H HA 0.329 4.883 4.556 -0.004 0.000 0.368 1201 H C -1.186 174.214 175.328 0.119 0.000 1.185 1201 H CA -0.778 55.340 56.048 0.117 0.000 1.160 1201 H CB 2.338 32.179 29.762 0.132 0.000 1.820 1201 H HN 0.801 nan 8.280 nan 0.000 0.547 1202 S N 1.603 117.432 115.700 0.214 0.000 2.443 1202 S HA 0.076 4.544 4.470 -0.004 0.000 0.284 1202 S C 1.274 175.979 174.600 0.176 0.000 1.206 1202 S CA -0.549 57.739 58.200 0.145 0.000 1.074 1202 S CB -0.055 63.165 63.200 0.034 0.000 0.963 1202 S HN 0.417 nan 8.310 nan 0.000 0.501 1203 V N 5.482 125.505 119.914 0.182 0.000 2.759 1203 V HA -0.099 4.018 4.120 -0.004 0.000 0.256 1203 V C 2.299 178.432 176.094 0.066 0.000 1.080 1203 V CA 1.855 64.247 62.300 0.154 0.000 1.101 1203 V CB -0.838 31.100 31.823 0.191 0.000 0.698 1203 V HN 0.910 nan 8.190 nan 0.000 0.477 1204 S N -0.216 115.507 115.700 0.039 0.000 2.462 1204 S HA -0.158 4.309 4.470 -0.004 0.000 0.243 1204 S C 1.477 176.053 174.600 -0.042 0.000 1.003 1204 S CA 1.105 59.303 58.200 -0.004 0.000 0.970 1204 S CB -0.153 63.039 63.200 -0.013 0.000 0.762 1204 S HN 0.561 nan 8.310 nan 0.000 0.510 1205 K N 0.809 121.182 120.400 -0.045 0.000 4.085 1205 K HA 0.287 4.605 4.320 -0.004 0.000 0.195 1205 K C 1.455 177.958 176.600 -0.161 0.000 1.134 1205 K CA 0.075 56.258 56.287 -0.174 0.000 1.809 1205 K CB -1.159 31.216 32.500 -0.209 0.000 2.561 1205 K HN 0.160 nan 8.250 nan 0.000 0.604 1206 Y N 1.319 121.596 120.300 -0.039 0.000 2.181 1206 Y HA -0.070 4.478 4.550 -0.004 0.000 0.288 1206 Y C 2.439 178.335 175.900 -0.006 0.000 1.146 1206 Y CA 1.051 59.117 58.100 -0.056 0.000 1.164 1206 Y CB -0.720 37.687 38.460 -0.089 0.000 0.982 1206 Y HN 0.183 nan 8.280 nan 0.000 0.515 1207 I N -0.096 120.567 120.570 0.155 0.000 2.127 1207 I HA -0.355 3.813 4.170 -0.004 0.000 0.241 1207 I C 2.315 178.502 176.117 0.116 0.000 1.075 1207 I CA 2.029 63.394 61.300 0.109 0.000 1.334 1207 I CB -0.359 37.696 38.000 0.093 0.000 1.040 1207 I HN 0.248 nan 8.210 nan 0.000 0.405 1208 N N 0.358 119.109 118.700 0.086 0.000 2.135 1208 N HA -0.098 4.640 4.740 -0.004 0.000 0.186 1208 N C 1.469 177.091 175.510 0.187 0.000 1.027 1208 N CA 1.862 54.952 53.050 0.067 0.000 0.849 1208 N CB 0.023 38.510 38.487 0.000 0.000 1.002 1208 N HN 0.367 nan 8.380 nan 0.000 0.425 1209 G N -1.475 107.397 108.800 0.119 0.000 2.205 1209 G HA2 -0.300 3.657 3.960 -0.004 0.000 0.261 1209 G HA3 -0.300 3.657 3.960 -0.004 0.000 0.261 1209 G C 0.438 175.297 174.900 -0.068 0.000 0.980 1209 G CA 0.935 46.076 45.100 0.069 0.000 0.632 1209 G HN 0.608 nan 8.290 nan 0.000 0.533 1210 H N -0.627 118.436 119.070 -0.011 0.000 2.784 1210 H HA 0.453 5.006 4.556 -0.004 0.000 0.273 1210 H C 1.853 177.170 175.328 -0.018 0.000 1.112 1210 H CA 0.550 56.593 56.048 -0.009 0.000 1.162 1210 H CB 0.649 30.402 29.762 -0.015 0.000 1.586 1210 H HN 1.198 nan 8.280 nan 0.000 0.548 1211 G N 1.838 110.665 108.800 0.046 0.000 2.203 1211 G HA2 -0.330 3.627 3.960 -0.004 0.000 0.263 1211 G HA3 -0.330 3.627 3.960 -0.004 0.000 0.263 1211 G C 0.413 175.327 174.900 0.022 0.000 1.012 1211 G CA 0.928 46.033 45.100 0.010 0.000 0.749 1211 G HN 0.607 nan 8.290 nan 0.000 0.512 1212 D N -1.607 118.814 120.400 0.035 0.000 2.527 1212 D HA 0.386 5.024 4.640 -0.004 0.000 0.224 1212 D C 0.387 176.692 176.300 0.008 0.000 1.217 1212 D CA 0.055 54.069 54.000 0.023 0.000 0.819 1212 D CB 0.586 41.406 40.800 0.033 0.000 1.061 1212 D HN 0.456 nan 8.370 nan 0.000 0.515 1213 V N 0.976 120.889 119.914 -0.002 0.000 2.888 1213 V HA 0.377 4.494 4.120 -0.004 0.000 0.309 1213 V C -0.931 175.157 176.094 -0.010 0.000 1.114 1213 V CA -0.899 61.392 62.300 -0.015 0.000 0.940 1213 V CB 2.637 34.433 31.823 -0.046 0.000 1.021 1213 V HN 0.013 nan 8.190 nan 0.000 0.426 1214 I N 3.104 123.673 120.570 -0.001 0.000 2.354 1214 I HA 0.851 5.018 4.170 -0.004 0.000 0.292 1214 I C 0.593 176.724 176.117 0.023 0.000 0.989 1214 I CA 0.215 61.522 61.300 0.012 0.000 1.188 1214 I CB 1.067 39.081 38.000 0.023 0.000 1.342 1214 I HN 0.848 nan 8.210 nan 0.000 0.457 1215 G N 3.434 112.260 108.800 0.043 0.000 2.576 1215 G HA2 0.686 4.643 3.960 -0.004 0.000 0.290 1215 G HA3 0.686 4.643 3.960 -0.004 0.000 0.290 1215 G C -1.312 173.679 174.900 0.151 0.000 1.442 1215 G CA -0.555 44.595 45.100 0.083 0.000 0.792 1215 G HN 0.812 nan 8.290 nan 0.000 0.491 1216 G N -1.806 107.147 108.800 0.254 0.000 2.619 1216 G HA2 0.818 4.775 3.960 -0.004 0.000 0.296 1216 G HA3 0.818 4.775 3.960 -0.004 0.000 0.296 1216 G C -1.702 173.480 174.900 0.469 0.000 1.334 1216 G CA -0.537 44.754 45.100 0.319 0.000 0.934 1216 G HN 1.577 nan 8.290 nan 0.000 0.476 1217 V N -0.277 119.900 119.914 0.438 0.000 3.012 1217 V HA 0.848 4.965 4.120 -0.004 0.000 0.307 1217 V C -0.998 175.326 176.094 0.383 0.000 1.166 1217 V CA -0.533 62.036 62.300 0.447 0.000 0.974 1217 V CB 2.297 34.303 31.823 0.305 0.000 1.040 1217 V HN 1.095 nan 8.190 nan 0.000 0.428 1218 S N 3.552 119.496 115.700 0.408 0.000 2.571 1218 S HA 0.818 5.286 4.470 -0.004 0.000 0.284 1218 S C -0.881 173.855 174.600 0.226 0.000 1.128 1218 S CA -0.347 58.032 58.200 0.298 0.000 0.970 1218 S CB 1.800 65.199 63.200 0.331 0.000 1.039 1218 S HN 0.933 nan 8.310 nan 0.000 0.485 1219 S N 2.504 118.299 115.700 0.159 0.000 2.513 1219 S HA 0.875 5.342 4.470 -0.004 0.000 0.299 1219 S C -0.625 174.032 174.600 0.095 0.000 1.087 1219 S CA -0.655 57.611 58.200 0.110 0.000 1.012 1219 S CB 1.669 64.917 63.200 0.079 0.000 1.044 1219 S HN 1.021 nan 8.310 nan 0.000 0.485 1220 A N 1.567 124.439 122.820 0.085 0.000 2.374 1220 A HA 0.616 4.934 4.320 -0.004 0.000 0.317 1220 A C 0.732 178.343 177.584 0.044 0.000 1.094 1220 A CA -0.759 51.321 52.037 0.072 0.000 0.765 1220 A CB 1.113 20.177 19.000 0.107 0.000 1.268 1220 A HN 0.863 nan 8.150 nan 0.000 0.438 1221 K N 0.307 120.722 120.400 0.026 0.000 2.283 1221 K HA -0.005 4.313 4.320 -0.004 0.000 0.202 1221 K C 0.058 176.664 176.600 0.009 0.000 1.048 1221 K CA 1.405 57.699 56.287 0.012 0.000 0.948 1221 K CB 0.060 32.560 32.500 -0.001 0.000 0.742 1221 K HN 0.637 nan 8.250 nan 0.000 0.458 1222 T N -0.755 113.811 114.554 0.019 0.000 2.841 1222 T HA 0.415 4.762 4.350 -0.004 0.000 0.283 1222 T C 0.393 175.117 174.700 0.040 0.000 1.000 1222 T CA -0.278 61.834 62.100 0.020 0.000 0.977 1222 T CB 1.813 70.688 68.868 0.011 0.000 0.979 1222 T HN 0.176 nan 8.240 nan 0.000 0.446 1223 A N 2.269 125.108 122.820 0.031 0.000 1.940 1223 A HA -0.102 4.216 4.320 -0.004 0.000 0.219 1223 A C 2.029 179.646 177.584 0.056 0.000 1.176 1223 A CA 1.772 53.831 52.037 0.037 0.000 0.631 1223 A CB -0.484 18.529 19.000 0.021 0.000 0.814 1223 A HN 0.921 nan 8.150 nan 0.000 0.446 1224 E N -0.495 119.738 120.200 0.055 0.000 2.077 1224 E HA -0.219 4.128 4.350 -0.004 0.000 0.193 1224 E C 1.320 177.998 176.600 0.130 0.000 0.989 1224 E CA 1.357 57.800 56.400 0.072 0.000 0.800 1224 E CB -0.096 29.638 29.700 0.058 0.000 0.746 1224 E HN 0.553 nan 8.360 nan 0.000 0.452 1225 D N 0.327 120.820 120.400 0.155 0.000 2.117 1225 D HA -0.132 4.505 4.640 -0.004 0.000 0.198 1225 D C 1.868 178.343 176.300 0.291 0.000 0.982 1225 D CA 0.502 54.672 54.000 0.283 0.000 0.828 1225 D CB -0.174 40.729 40.800 0.173 0.000 0.967 1225 D HN 0.163 nan 8.370 nan 0.000 0.464 1226 I N 0.957 121.638 120.570 0.184 0.000 2.315 1226 I HA -0.169 3.998 4.170 -0.004 0.000 0.248 1226 I C 2.031 178.239 176.117 0.152 0.000 1.117 1226 I CA 0.810 62.210 61.300 0.167 0.000 1.404 1226 I CB -0.357 37.710 38.000 0.112 0.000 1.071 1226 I HN -0.075 nan 8.210 nan 0.000 0.419 1227 A N -0.904 121.992 122.820 0.128 0.000 1.908 1227 A HA -0.228 4.090 4.320 -0.004 0.000 0.218 1227 A C 2.355 180.035 177.584 0.160 0.000 1.181 1227 A CA 2.516 54.627 52.037 0.124 0.000 0.627 1227 A CB -1.328 17.726 19.000 0.088 0.000 0.818 1227 A HN 0.459 nan 8.150 nan 0.000 0.445 1228 T N 0.126 114.762 114.554 0.136 0.000 2.812 1228 T HA -0.028 4.319 4.350 -0.004 0.000 0.264 1228 T C 1.803 176.549 174.700 0.076 0.000 1.042 1228 T CA 1.308 63.448 62.100 0.067 0.000 1.140 1228 T CB -0.378 68.477 68.868 -0.021 0.000 0.870 1228 T HN 0.418 nan 8.240 nan 0.000 0.445 1229 I N 0.870 121.502 120.570 0.104 0.000 2.194 1229 I HA -0.239 3.929 4.170 -0.004 0.000 0.246 1229 I C 2.500 178.786 176.117 0.282 0.000 1.093 1229 I CA 1.507 62.916 61.300 0.182 0.000 1.355 1229 I CB -0.280 37.893 38.000 0.289 0.000 1.046 1229 I HN 0.211 nan 8.210 nan 0.000 0.413 1230 K N -0.164 120.368 120.400 0.221 0.000 2.155 1230 K HA -0.142 4.175 4.320 -0.004 0.000 0.203 1230 K C 2.069 178.771 176.600 0.170 0.000 1.052 1230 K CA 1.157 57.539 56.287 0.159 0.000 0.948 1230 K CB -0.168 32.390 32.500 0.096 0.000 0.728 1230 K HN 0.148 nan 8.250 nan 0.000 0.448 1231 F N 0.482 120.476 119.950 0.073 0.000 2.134 1231 F HA -0.254 4.270 4.527 -0.004 0.000 0.299 1231 F C 2.236 178.079 175.800 0.073 0.000 1.097 1231 F CA 1.347 59.380 58.000 0.055 0.000 1.264 1231 F CB -0.235 38.788 39.000 0.038 0.000 1.001 1231 F HN 0.016 nan 8.300 nan 0.000 0.479 1232 Y N 0.857 121.264 120.300 0.177 0.000 2.145 1232 Y HA -0.260 4.287 4.550 -0.004 0.000 0.286 1232 Y C 2.819 178.754 175.900 0.058 0.000 1.145 1232 Y CA 2.203 60.355 58.100 0.086 0.000 1.148 1232 Y CB -0.603 37.882 38.460 0.041 0.000 0.981 1232 Y HN -0.032 nan 8.280 nan 0.000 0.507 1233 R N 1.047 121.704 120.500 0.261 0.000 2.113 1233 R HA -0.267 4.070 4.340 -0.004 0.000 0.244 1233 R C 2.371 178.657 176.300 -0.023 0.000 1.142 1233 R CA 2.456 58.666 56.100 0.182 0.000 0.953 1233 R CB -0.381 30.016 30.300 0.162 0.000 0.860 1233 R HN 0.554 nan 8.270 nan 0.000 0.438 1234 K N -0.683 119.663 120.400 -0.089 0.000 2.209 1234 K HA -0.134 4.183 4.320 -0.004 0.000 0.204 1234 K C 0.894 177.390 176.600 -0.174 0.000 1.048 1234 K CA 1.965 58.172 56.287 -0.134 0.000 0.940 1234 K CB 0.068 32.458 32.500 -0.182 0.000 0.729 1234 K HN 0.152 nan 8.250 nan 0.000 0.451 1235 D N 0.704 120.948 120.400 -0.260 0.000 2.277 1235 D HA 0.066 4.704 4.640 -0.004 0.000 0.209 1235 D C 1.826 177.958 176.300 -0.280 0.000 0.970 1235 D CA 1.143 54.984 54.000 -0.266 0.000 0.874 1235 D CB 0.184 40.808 40.800 -0.294 0.000 0.982 1235 D HN 0.389 nan 8.370 nan 0.000 0.504 1236 A N 0.097 122.685 122.820 -0.387 0.000 2.021 1236 A HA 0.373 4.691 4.320 -0.004 0.000 0.216 1236 A C 1.791 179.312 177.584 -0.105 0.000 1.163 1236 A CA 1.280 53.123 52.037 -0.322 0.000 0.676 1236 A CB -0.259 18.435 19.000 -0.509 0.000 0.818 1236 A HN 0.241 nan 8.150 nan 0.000 0.453 1237 G N -0.636 108.133 108.800 -0.051 0.000 2.147 1237 G HA2 -0.205 3.753 3.960 -0.004 0.000 0.244 1237 G HA3 -0.205 3.753 3.960 -0.004 0.000 0.244 1237 G C 0.334 175.266 174.900 0.054 0.000 1.005 1237 G CA 0.601 45.701 45.100 0.001 0.000 0.713 1237 G HN 1.165 nan 8.290 nan 0.000 0.515 1238 S N 0.303 116.083 115.700 0.133 0.000 2.473 1238 S HA 0.670 5.137 4.470 -0.004 0.000 0.312 1238 S C 0.566 175.275 174.600 0.182 0.000 1.087 1238 S CA -0.632 57.687 58.200 0.198 0.000 1.077 1238 S CB -0.113 63.269 63.200 0.304 0.000 1.065 1238 S HN 0.466 nan 8.310 nan 0.000 0.510 1239 L N 4.465 125.738 121.223 0.083 0.000 2.331 1239 L HA 0.571 4.909 4.340 -0.004 0.000 0.275 1239 L C 0.297 177.185 176.870 0.030 0.000 1.022 1239 L CA -0.767 54.082 54.840 0.014 0.000 0.812 1239 L CB 1.749 43.804 42.059 -0.007 0.000 1.257 1239 L HN 0.527 nan 8.230 nan 0.000 0.435 1240 M N 2.384 121.986 119.600 0.004 0.000 2.162 1240 M HA 0.424 4.901 4.480 -0.004 0.000 0.356 1240 M C 0.123 176.425 176.300 0.004 0.000 1.303 1240 M CA -0.209 55.101 55.300 0.017 0.000 1.116 1240 M CB 1.114 33.727 32.600 0.023 0.000 1.632 1240 M HN 0.755 nan 8.290 nan 0.000 0.469 1241 A N 7.024 129.846 122.820 0.003 0.000 2.407 1241 A HA 0.377 4.694 4.320 -0.004 0.000 0.248 1241 A C -2.054 175.539 177.584 0.015 0.000 1.082 1241 A CA -1.330 50.707 52.037 0.001 0.000 0.785 1241 A CB -0.367 18.632 19.000 -0.001 0.000 1.020 1241 A HN 0.745 nan 8.150 nan 0.000 0.489 1242 P HA -0.217 nan 4.420 nan 0.000 0.215 1242 P C 1.650 178.997 177.300 0.078 0.000 1.157 1242 P CA 1.826 64.966 63.100 0.068 0.000 0.874 1242 P CB -0.092 31.647 31.700 0.066 0.000 0.790 1243 M N -0.173 119.449 119.600 0.037 0.000 2.108 1243 M HA -0.159 4.319 4.480 -0.004 0.000 0.261 1243 M C 1.226 177.589 176.300 0.106 0.000 1.066 1243 M CA 1.918 57.250 55.300 0.054 0.000 1.107 1243 M CB -1.274 31.326 32.600 -0.000 0.000 1.356 1243 M HN -0.256 nan 8.290 nan 0.000 0.406 1244 D N 0.204 120.625 120.400 0.035 0.000 2.117 1244 D HA -0.045 4.592 4.640 -0.004 0.000 0.197 1244 D C 2.027 178.270 176.300 -0.095 0.000 0.987 1244 D CA 1.764 55.752 54.000 -0.020 0.000 0.829 1244 D CB -0.410 40.369 40.800 -0.035 0.000 0.961 1244 D HN 0.522 nan 8.370 nan 0.000 0.460 1245 A N 0.260 123.039 122.820 -0.068 0.000 1.933 1245 A HA -0.160 4.158 4.320 -0.004 0.000 0.218 1245 A C 2.109 179.653 177.584 -0.067 0.000 1.175 1245 A CA 1.061 53.014 52.037 -0.141 0.000 0.628 1245 A CB -0.997 18.014 19.000 0.017 0.000 0.814 1245 A HN 0.305 nan 8.150 nan 0.000 0.444 1246 F N 0.716 120.626 119.950 -0.067 0.000 2.095 1246 F HA -0.171 4.354 4.527 -0.003 0.000 0.298 1246 F C 1.846 177.597 175.800 -0.081 0.000 1.104 1246 F CA 1.914 59.896 58.000 -0.030 0.000 1.232 1246 F CB -0.342 38.655 39.000 -0.005 0.000 0.987 1246 F HN 0.143 nan 8.300 nan 0.000 0.475 1247 L N -0.448 120.697 121.223 -0.131 0.000 2.046 1247 L HA -0.281 4.056 4.340 -0.004 0.000 0.208 1247 L C 2.646 179.326 176.870 -0.317 0.000 1.077 1247 L CA 1.403 56.082 54.840 -0.268 0.000 0.747 1247 L CB -1.076 40.938 42.059 -0.075 0.000 0.896 1247 L HN 0.322 nan 8.230 nan 0.000 0.432 1248 C N -0.367 118.723 119.300 -0.350 0.000 2.425 1248 C HA -0.103 4.354 4.460 -0.004 0.000 0.277 1248 C C 3.133 177.955 174.990 -0.280 0.000 1.280 1248 C CA 0.602 59.354 59.018 -0.443 0.000 1.744 1248 C CB -1.105 26.043 27.740 -0.988 0.000 1.989 1248 C HN 0.611 nan 8.230 nan 0.000 0.491 1249 A N 0.451 123.134 122.820 -0.228 0.000 1.930 1249 A HA -0.190 4.127 4.320 -0.004 0.000 0.217 1249 A C 2.328 179.835 177.584 -0.128 0.000 1.175 1249 A CA 1.622 53.660 52.037 0.001 0.000 0.627 1249 A CB -0.610 18.408 19.000 0.029 0.000 0.815 1249 A HN 0.649 nan 8.150 nan 0.000 0.443 1250 R N -0.497 119.817 120.500 -0.310 0.000 2.073 1250 R HA -0.079 4.259 4.340 -0.004 0.000 0.229 1250 R C 2.269 178.429 176.300 -0.234 0.000 1.120 1250 R CA 1.463 57.356 56.100 -0.345 0.000 0.967 1250 R CB -0.696 29.245 30.300 -0.599 0.000 0.862 1250 R HN 0.438 nan 8.270 nan 0.000 0.436 1251 G N 0.992 109.655 108.800 -0.229 0.000 2.440 1251 G HA2 -0.304 3.654 3.960 -0.004 0.000 0.218 1251 G HA3 -0.304 3.654 3.960 -0.004 0.000 0.218 1251 G C 1.436 176.354 174.900 0.029 0.000 1.154 1251 G CA 0.774 45.815 45.100 -0.100 0.000 0.767 1251 G HN 0.314 nan 8.290 nan 0.000 0.552 1252 M N 0.174 119.787 119.600 0.022 0.000 2.374 1252 M HA 0.045 4.522 4.480 -0.004 0.000 0.264 1252 M C 2.102 178.412 176.300 0.017 0.000 1.067 1252 M CA 0.833 56.166 55.300 0.055 0.000 1.103 1252 M CB 0.039 32.708 32.600 0.116 0.000 1.402 1252 M HN 0.029 nan 8.290 nan 0.000 0.444 1253 K N -0.381 120.011 120.400 -0.014 0.000 2.211 1253 K HA -0.103 4.214 4.320 -0.004 0.000 0.204 1253 K C 1.544 178.144 176.600 -0.000 0.000 1.047 1253 K CA 1.839 58.111 56.287 -0.025 0.000 0.935 1253 K CB -0.781 31.687 32.500 -0.055 0.000 0.728 1253 K HN 0.493 nan 8.250 nan 0.000 0.452 1254 T N -1.674 112.898 114.554 0.030 0.000 3.134 1254 T HA 0.133 4.480 4.350 -0.004 0.000 0.260 1254 T C 1.509 176.238 174.700 0.048 0.000 1.027 1254 T CA -0.351 61.777 62.100 0.047 0.000 0.913 1254 T CB 0.056 68.973 68.868 0.082 0.000 1.046 1254 T HN -0.071 nan 8.240 nan 0.000 0.553 1255 L N 2.385 123.629 121.223 0.035 0.000 2.012 1255 L HA 0.155 4.492 4.340 -0.004 0.000 0.210 1255 L C -0.969 175.882 176.870 -0.031 0.000 1.073 1255 L CA 1.926 56.778 54.840 0.020 0.000 0.748 1255 L CB -1.131 40.925 42.059 -0.004 0.000 0.891 1255 L HN 0.100 nan 8.230 nan 0.000 0.431 1256 P HA -0.159 nan 4.420 nan 0.000 0.215 1256 P C 1.964 179.245 177.300 -0.031 0.000 1.157 1256 P CA 1.342 64.393 63.100 -0.081 0.000 0.863 1256 P CB -0.106 31.562 31.700 -0.052 0.000 0.787 1257 I N -0.558 120.012 120.570 0.001 0.000 2.315 1257 I HA -0.148 4.020 4.170 -0.004 0.000 0.248 1257 I C 2.182 178.311 176.117 0.020 0.000 1.117 1257 I CA 1.353 62.663 61.300 0.017 0.000 1.404 1257 I CB -0.524 37.486 38.000 0.018 0.000 1.071 1257 I HN -0.238 nan 8.210 nan 0.000 0.419 1258 R N -0.698 119.817 120.500 0.026 0.000 2.081 1258 R HA -0.144 4.194 4.340 -0.004 0.000 0.235 1258 R C 2.122 178.491 176.300 0.115 0.000 1.131 1258 R CA 1.590 57.705 56.100 0.025 0.000 0.960 1258 R CB -0.379 29.974 30.300 0.087 0.000 0.856 1258 R HN 0.304 nan 8.270 nan 0.000 0.436 1259 M N 0.531 120.206 119.600 0.124 0.000 2.229 1259 M HA -0.152 4.325 4.480 -0.004 0.000 0.264 1259 M C 2.185 178.650 176.300 0.274 0.000 1.063 1259 M CA 1.465 56.842 55.300 0.128 0.000 1.114 1259 M CB -0.849 31.557 32.600 -0.323 0.000 1.387 1259 M HN 0.214 nan 8.290 nan 0.000 0.420 1260 Q N 0.404 120.320 119.800 0.193 0.000 2.050 1260 Q HA -0.164 4.173 4.340 -0.004 0.000 0.202 1260 Q C 1.990 178.090 176.000 0.167 0.000 0.980 1260 Q CA 1.575 57.517 55.803 0.232 0.000 0.840 1260 Q CB -0.031 28.790 28.738 0.138 0.000 0.898 1260 Q HN 0.494 nan 8.270 nan 0.000 0.424 1261 I N 0.032 120.655 120.570 0.088 0.000 2.233 1261 I HA -0.278 3.889 4.170 -0.004 0.000 0.243 1261 I C 2.325 178.485 176.117 0.072 0.000 1.093 1261 I CA 0.887 62.207 61.300 0.033 0.000 1.380 1261 I CB -0.541 37.427 38.000 -0.054 0.000 1.067 1261 I HN 0.299 nan 8.210 nan 0.000 0.413 1262 H N 0.399 119.550 119.070 0.135 0.000 2.289 1262 H HA -0.284 4.269 4.556 -0.005 0.000 0.294 1262 H C 2.259 177.698 175.328 0.186 0.000 1.095 1262 H CA 2.284 58.436 56.048 0.174 0.000 1.256 1262 H CB -0.536 29.344 29.762 0.196 0.000 1.359 1262 H HN 0.368 nan 8.280 nan 0.000 0.487 1263 M N 0.710 120.512 119.600 0.337 0.000 2.080 1263 M HA -0.200 4.277 4.480 -0.004 0.000 0.260 1263 M C 2.005 178.408 176.300 0.173 0.000 1.068 1263 M CA 1.891 57.334 55.300 0.239 0.000 1.109 1263 M CB -0.005 32.658 32.600 0.104 0.000 1.342 1263 M HN 0.213 nan 8.290 nan 0.000 0.405 1264 E N 0.155 120.434 120.200 0.131 0.000 2.047 1264 E HA -0.156 4.192 4.350 -0.004 0.000 0.191 1264 E C 1.721 178.366 176.600 0.075 0.000 0.987 1264 E CA 1.649 58.096 56.400 0.078 0.000 0.799 1264 E CB -0.239 29.496 29.700 0.059 0.000 0.752 1264 E HN 0.676 nan 8.360 nan 0.000 0.449 1265 N N 0.031 118.793 118.700 0.103 0.000 2.069 1265 N HA -0.149 4.589 4.740 -0.004 0.000 0.191 1265 N C 2.052 177.651 175.510 0.148 0.000 1.031 1265 N CA 0.852 53.966 53.050 0.106 0.000 0.852 1265 N CB -0.218 38.337 38.487 0.115 0.000 1.018 1265 N HN 0.140 nan 8.380 nan 0.000 0.423 1266 G N 1.311 110.247 108.800 0.227 0.000 2.422 1266 G HA2 -0.191 3.766 3.960 -0.004 0.000 0.218 1266 G HA3 -0.191 3.766 3.960 -0.004 0.000 0.218 1266 G C 1.541 176.477 174.900 0.060 0.000 1.146 1266 G CA 0.413 45.706 45.100 0.321 0.000 0.769 1266 G HN 0.146 nan 8.290 nan 0.000 0.547 1267 L N -0.424 120.764 121.223 -0.058 0.000 2.109 1267 L HA 0.043 4.380 4.340 -0.004 0.000 0.207 1267 L C 2.953 179.688 176.870 -0.225 0.000 1.086 1267 L CA 1.038 55.671 54.840 -0.344 0.000 0.760 1267 L CB -0.167 41.762 42.059 -0.216 0.000 0.910 1267 L HN 0.148 nan 8.230 nan 0.000 0.437 1268 K N -0.715 119.642 120.400 -0.072 0.000 2.097 1268 K HA -0.116 4.201 4.320 -0.004 0.000 0.205 1268 K C 1.966 178.586 176.600 0.034 0.000 1.050 1268 K CA 1.018 57.292 56.287 -0.022 0.000 0.938 1268 K CB -0.053 32.448 32.500 0.003 0.000 0.718 1268 K HN 0.094 nan 8.250 nan 0.000 0.442 1269 V N 1.098 121.058 119.914 0.077 0.000 2.427 1269 V HA -0.214 3.903 4.120 -0.004 0.000 0.248 1269 V C 2.263 178.463 176.094 0.177 0.000 1.051 1269 V CA 1.939 64.351 62.300 0.188 0.000 1.048 1269 V CB -0.530 31.459 31.823 0.277 0.000 0.666 1269 V HN 0.337 nan 8.190 nan 0.000 0.456 1270 A N -0.076 122.703 122.820 -0.069 0.000 1.902 1270 A HA -0.232 4.085 4.320 -0.004 0.000 0.217 1270 A C 2.294 179.777 177.584 -0.168 0.000 1.181 1270 A CA 1.940 53.800 52.037 -0.296 0.000 0.623 1270 A CB -0.390 18.086 19.000 -0.872 0.000 0.818 1270 A HN 0.545 nan 8.150 nan 0.000 0.443 1271 K N -1.476 118.837 120.400 -0.146 0.000 2.057 1271 K HA -0.072 4.245 4.320 -0.004 0.000 0.206 1271 K C 1.791 178.385 176.600 -0.010 0.000 1.050 1271 K CA 1.444 57.676 56.287 -0.091 0.000 0.935 1271 K CB -0.355 32.097 32.500 -0.081 0.000 0.715 1271 K HN 0.543 nan 8.250 nan 0.000 0.439 1272 F N 1.995 121.908 119.950 -0.062 0.000 2.069 1272 F HA -0.241 4.283 4.527 -0.004 0.000 0.298 1272 F C 1.778 177.572 175.800 -0.011 0.000 1.113 1272 F CA 1.431 59.417 58.000 -0.024 0.000 1.214 1272 F CB -0.169 38.820 39.000 -0.018 0.000 0.978 1272 F HN -0.113 nan 8.300 nan 0.000 0.474 1273 L N 0.210 121.286 121.223 -0.245 0.000 2.083 1273 L HA -0.219 4.118 4.340 -0.004 0.000 0.209 1273 L C 2.500 179.228 176.870 -0.236 0.000 1.083 1273 L CA 1.885 56.503 54.840 -0.370 0.000 0.752 1273 L CB -0.896 40.989 42.059 -0.289 0.000 0.899 1273 L HN 0.294 nan 8.230 nan 0.000 0.433 1274 E N 0.585 120.698 120.200 -0.145 0.000 2.153 1274 E HA -0.268 4.080 4.350 -0.004 0.000 0.194 1274 E C 1.894 178.434 176.600 -0.100 0.000 0.988 1274 E CA 1.286 57.632 56.400 -0.089 0.000 0.811 1274 E CB 0.177 29.831 29.700 -0.078 0.000 0.746 1274 E HN 0.593 nan 8.360 nan 0.000 0.466 1275 Q N -0.657 119.056 119.800 -0.144 0.000 2.360 1275 Q HA 0.039 4.376 4.340 -0.004 0.000 0.202 1275 Q C 0.226 176.117 176.000 -0.182 0.000 0.915 1275 Q CA 0.321 56.044 55.803 -0.134 0.000 0.943 1275 Q CB 0.000 28.674 28.738 -0.106 0.000 1.064 1275 Q HN 0.154 nan 8.270 nan 0.000 0.511 1276 H N 1.540 120.412 119.070 -0.330 0.000 2.646 1276 H HA 0.108 4.661 4.556 -0.004 0.000 0.325 1276 H C 0.396 175.622 175.328 -0.171 0.000 1.075 1276 H CA 0.161 56.010 56.048 -0.331 0.000 1.421 1276 H CB 1.170 30.613 29.762 -0.532 0.000 1.461 1276 H HN 0.433 nan 8.280 nan 0.000 0.525 1277 E N 3.701 123.705 120.200 -0.326 0.000 2.130 1277 E HA -0.194 4.154 4.350 -0.004 0.000 0.196 1277 E C 1.103 177.737 176.600 0.057 0.000 0.998 1277 E CA 1.070 57.399 56.400 -0.119 0.000 0.806 1277 E CB 0.296 29.895 29.700 -0.167 0.000 0.738 1277 E HN 0.572 nan 8.360 nan 0.000 0.459 1278 K N -0.154 120.412 120.400 0.276 0.000 2.432 1278 K HA -0.001 4.316 4.320 -0.004 0.000 0.196 1278 K C 0.244 176.924 176.600 0.133 0.000 1.038 1278 K CA 0.208 56.613 56.287 0.197 0.000 0.986 1278 K CB 0.414 33.036 32.500 0.203 0.000 0.782 1278 K HN 0.111 nan 8.250 nan 0.000 0.485 1279 I N 1.148 121.789 120.570 0.120 0.000 2.336 1279 I HA 0.026 4.193 4.170 -0.004 0.000 0.292 1279 I C 1.452 177.624 176.117 0.093 0.000 0.991 1279 I CA -0.164 61.199 61.300 0.106 0.000 1.227 1279 I CB 1.571 39.591 38.000 0.034 0.000 1.366 1279 I HN -0.265 nan 8.210 nan 0.000 0.466 1280 V N 5.305 125.290 119.914 0.118 0.000 2.500 1280 V HA 0.076 4.193 4.120 -0.004 0.000 0.243 1280 V C 0.829 176.978 176.094 0.093 0.000 1.039 1280 V CA 1.149 63.504 62.300 0.091 0.000 1.053 1280 V CB -0.149 31.728 31.823 0.090 0.000 0.695 1280 V HN 0.758 nan 8.190 nan 0.000 0.463 1281 K N -0.826 119.654 120.400 0.133 0.000 2.572 1281 K HA 0.549 4.867 4.320 -0.004 0.000 0.263 1281 K C -2.101 174.625 176.600 0.210 0.000 0.932 1281 K CA -0.415 55.958 56.287 0.143 0.000 0.838 1281 K CB 2.739 35.320 32.500 0.135 0.000 1.366 1281 K HN -0.102 nan 8.250 nan 0.000 0.425 1282 V N 2.983 123.014 119.914 0.196 0.000 2.444 1282 V HA 0.330 4.448 4.120 -0.004 0.000 0.294 1282 V C -0.517 175.710 176.094 0.220 0.000 1.022 1282 V CA -0.847 61.604 62.300 0.252 0.000 0.850 1282 V CB 1.621 33.534 31.823 0.150 0.000 0.992 1282 V HN 0.743 nan 8.190 nan 0.000 0.426 1283 N N 3.770 122.625 118.700 0.258 0.000 3.083 1283 N HA 0.214 4.951 4.740 -0.004 0.000 0.260 1283 N C -0.888 174.473 175.510 -0.248 0.000 1.163 1283 N CA -0.268 52.823 53.050 0.069 0.000 1.060 1283 N CB 0.191 38.811 38.487 0.222 0.000 1.345 1283 N HN 0.661 nan 8.380 nan 0.000 0.515 1284 H N 2.563 121.283 119.070 -0.583 0.000 2.505 1284 H HA 0.243 4.796 4.556 -0.004 0.000 0.338 1284 H C -2.106 172.694 175.328 -0.879 0.000 1.057 1284 H CA -2.052 53.596 56.048 -0.667 0.000 1.202 1284 H CB 2.248 31.535 29.762 -0.791 0.000 1.466 1284 H HN 0.263 nan 8.280 nan 0.000 0.499 1285 P HA 0.025 nan 4.420 nan 0.000 0.237 1285 P C 1.041 178.257 177.300 -0.139 0.000 1.178 1285 P CA 0.704 63.614 63.100 -0.317 0.000 0.766 1285 P CB 0.114 31.774 31.700 -0.066 0.000 0.876 1286 G N -0.274 108.310 108.800 -0.361 0.000 2.777 1286 G HA2 0.096 4.053 3.960 -0.004 0.000 0.211 1286 G HA3 0.096 4.053 3.960 -0.004 0.000 0.211 1286 G C 0.595 175.240 174.900 -0.424 0.000 1.149 1286 G CA -0.134 44.524 45.100 -0.737 0.000 0.785 1286 G HN 0.200 nan 8.290 nan 0.000 0.536 1287 L N 0.700 121.698 121.223 -0.376 0.000 2.349 1287 L HA 0.225 4.562 4.340 -0.004 0.000 0.275 1287 L C 1.467 178.025 176.870 -0.521 0.000 1.115 1287 L CA -0.399 54.209 54.840 -0.386 0.000 0.820 1287 L CB 1.442 43.361 42.059 -0.233 0.000 1.135 1287 L HN 0.153 nan 8.230 nan 0.000 0.445 1288 E N 0.975 120.874 120.200 -0.502 0.000 2.160 1288 E HA -0.196 4.152 4.350 -0.004 0.000 0.195 1288 E C 1.794 178.300 176.600 -0.157 0.000 0.991 1288 E CA 1.580 57.730 56.400 -0.416 0.000 0.810 1288 E CB 0.227 29.805 29.700 -0.203 0.000 0.742 1288 E HN 0.807 nan 8.360 nan 0.000 0.466 1289 S N -0.128 115.521 115.700 -0.085 0.000 2.561 1289 S HA -0.064 4.403 4.470 -0.004 0.000 0.225 1289 S C 0.440 175.089 174.600 0.082 0.000 0.977 1289 S CA -0.234 57.966 58.200 0.001 0.000 0.926 1289 S CB -0.166 63.038 63.200 0.007 0.000 0.769 1289 S HN 0.129 nan 8.310 nan 0.000 0.533 1290 F N 4.259 124.174 119.950 -0.059 0.000 2.420 1290 F HA 0.499 5.023 4.527 -0.004 0.000 0.352 1290 F C -2.659 173.175 175.800 0.056 0.000 1.108 1290 F CA -3.077 54.928 58.000 0.008 0.000 1.162 1290 F CB 0.574 39.584 39.000 0.018 0.000 1.118 1290 F HN -0.045 nan 8.300 nan 0.000 0.510 1291 P HA 0.241 nan 4.420 nan 0.000 0.267 1291 P C 0.406 177.442 177.300 -0.439 0.000 1.209 1291 P CA 0.816 63.658 63.100 -0.431 0.000 0.763 1291 P CB 0.681 32.135 31.700 -0.410 0.000 0.816 1292 G N 2.077 110.811 108.800 -0.111 0.000 2.175 1292 G HA2 -0.327 3.630 3.960 -0.004 0.000 0.244 1292 G HA3 -0.327 3.630 3.960 -0.004 0.000 0.244 1292 G C 1.215 176.225 174.900 0.183 0.000 0.982 1292 G CA 0.389 45.498 45.100 0.016 0.000 0.641 1292 G HN 0.714 nan 8.290 nan 0.000 0.527 1293 H N 0.966 120.133 119.070 0.161 0.000 2.353 1293 H HA -0.125 4.428 4.556 -0.004 0.000 0.298 1293 H C 2.090 177.502 175.328 0.140 0.000 1.103 1293 H CA 2.063 58.228 56.048 0.196 0.000 1.293 1293 H CB 0.101 29.958 29.762 0.159 0.000 1.372 1293 H HN 0.454 nan 8.280 nan 0.000 0.501 1294 D N 0.514 120.919 120.400 0.010 0.000 2.123 1294 D HA -0.128 4.509 4.640 -0.004 0.000 0.196 1294 D C 2.490 178.759 176.300 -0.051 0.000 0.992 1294 D CA 1.019 54.983 54.000 -0.059 0.000 0.833 1294 D CB -0.275 40.535 40.800 0.017 0.000 0.954 1294 D HN 0.476 nan 8.370 nan 0.000 0.455 1295 I N 1.199 121.768 120.570 -0.001 0.000 2.202 1295 I HA -0.237 3.931 4.170 -0.004 0.000 0.242 1295 I C 2.515 178.647 176.117 0.025 0.000 1.091 1295 I CA 1.040 62.349 61.300 0.014 0.000 1.368 1295 I CB -0.179 37.840 38.000 0.031 0.000 1.058 1295 I HN -0.086 nan 8.210 nan 0.000 0.410 1296 A N 1.017 123.877 122.820 0.068 0.000 1.908 1296 A HA -0.291 4.026 4.320 -0.004 0.000 0.218 1296 A C 2.255 179.881 177.584 0.071 0.000 1.181 1296 A CA 2.320 54.438 52.037 0.134 0.000 0.627 1296 A CB -0.532 18.644 19.000 0.293 0.000 0.818 1296 A HN 0.397 nan 8.150 nan 0.000 0.445 1297 K N -0.186 120.196 120.400 -0.030 0.000 2.211 1297 K HA -0.048 4.269 4.320 -0.004 0.000 0.203 1297 K C 1.742 178.300 176.600 -0.071 0.000 1.050 1297 K CA 1.597 57.837 56.287 -0.079 0.000 0.945 1297 K CB -0.042 32.309 32.500 -0.248 0.000 0.732 1297 K HN 0.289 nan 8.250 nan 0.000 0.451 1298 K N 0.197 120.568 120.400 -0.050 0.000 2.186 1298 K HA 0.032 4.350 4.320 -0.004 0.000 0.202 1298 K C 1.783 178.371 176.600 -0.020 0.000 1.052 1298 K CA 1.053 57.322 56.287 -0.031 0.000 0.965 1298 K CB 0.291 32.779 32.500 -0.021 0.000 0.746 1298 K HN 0.385 nan 8.250 nan 0.000 0.457 1299 Q N -0.687 119.106 119.800 -0.011 0.000 2.352 1299 Q HA 0.221 4.558 4.340 -0.004 0.000 0.212 1299 Q C 0.472 176.472 176.000 -0.000 0.000 0.888 1299 Q CA 0.177 55.981 55.803 0.002 0.000 0.934 1299 Q CB 0.719 29.466 28.738 0.015 0.000 1.093 1299 Q HN 0.163 nan 8.270 nan 0.000 0.523 1300 M N -0.446 119.137 119.600 -0.030 0.000 2.662 1300 M HA 0.284 4.761 4.480 -0.004 0.000 0.310 1300 M C 0.316 176.539 176.300 -0.127 0.000 1.204 1300 M CA -0.373 54.895 55.300 -0.053 0.000 0.891 1300 M CB 1.911 34.467 32.600 -0.073 0.000 1.732 1300 M HN -0.121 nan 8.290 nan 0.000 0.467 1301 T N -2.583 111.917 114.554 -0.089 0.000 3.092 1301 T HA 0.564 4.911 4.350 -0.004 0.000 0.258 1301 T C 0.424 174.897 174.700 -0.378 0.000 1.031 1301 T CA 0.115 62.147 62.100 -0.114 0.000 0.925 1301 T CB 0.067 68.965 68.868 0.049 0.000 1.036 1301 T HN 0.948 nan 8.240 nan 0.000 0.544 1302 G N -0.044 108.293 108.800 -0.771 0.000 2.428 1302 G HA2 0.525 4.482 3.960 -0.004 0.000 0.305 1302 G HA3 0.525 4.482 3.960 -0.004 0.000 0.305 1302 G C -2.341 171.712 174.900 -1.412 0.000 1.260 1302 G CA -1.056 43.093 45.100 -1.584 0.000 0.853 1302 G HN 0.238 nan 8.290 nan 0.000 0.480 1303 Y N -0.451 119.449 120.300 -0.668 0.000 2.492 1303 Y HA 0.596 5.143 4.550 -0.004 0.000 0.346 1303 Y C 0.912 176.801 175.900 -0.020 0.000 0.997 1303 Y CA -0.339 57.662 58.100 -0.165 0.000 1.025 1303 Y CB 2.219 40.665 38.460 -0.022 0.000 1.263 1303 Y HN 0.870 nan 8.280 nan 0.000 0.454 1304 G N 0.206 109.105 108.800 0.166 0.000 2.683 1304 G HA2 0.329 4.286 3.960 -0.004 0.000 0.260 1304 G HA3 0.329 4.286 3.960 -0.004 0.000 0.260 1304 G C 0.435 175.403 174.900 0.114 0.000 1.238 1304 G CA -0.083 45.006 45.100 -0.018 0.000 0.934 1304 G HN 0.737 nan 8.290 nan 0.000 0.534 1305 S N -1.940 113.867 115.700 0.178 0.000 2.663 1305 S HA 0.256 4.723 4.470 -0.004 0.000 0.243 1305 S C 0.338 175.135 174.600 0.328 0.000 1.009 1305 S CA -0.310 58.088 58.200 0.330 0.000 0.988 1305 S CB 0.371 63.808 63.200 0.396 0.000 0.896 1305 S HN 0.394 nan 8.310 nan 0.000 0.502 1306 T N 3.643 118.273 114.554 0.127 0.000 2.749 1306 T HA 0.686 5.034 4.350 -0.004 0.000 0.287 1306 T C -0.688 174.070 174.700 0.098 0.000 0.970 1306 T CA -0.460 61.589 62.100 -0.085 0.000 0.980 1306 T CB 0.294 68.812 68.868 -0.583 0.000 0.924 1306 T HN 0.506 nan 8.240 nan 0.000 0.456 1307 F N 1.463 121.434 119.950 0.035 0.000 2.831 1307 F HA 0.816 5.341 4.527 -0.004 0.000 0.318 1307 F C -2.076 173.813 175.800 0.149 0.000 1.174 1307 F CA -1.804 56.240 58.000 0.074 0.000 0.918 1307 F CB 1.261 40.249 39.000 -0.019 0.000 1.364 1307 F HN 0.499 nan 8.300 nan 0.000 0.475 1308 L N 2.108 123.516 121.223 0.309 0.000 2.370 1308 L HA 0.854 5.192 4.340 -0.004 0.000 0.266 1308 L C -1.741 175.333 176.870 0.340 0.000 1.002 1308 L CA -0.870 54.053 54.840 0.138 0.000 0.818 1308 L CB 2.221 44.325 42.059 0.075 0.000 1.325 1308 L HN 0.817 nan 8.230 nan 0.000 0.418 1309 F N 0.682 120.706 119.950 0.124 0.000 2.613 1309 F HA 0.632 5.156 4.527 -0.004 0.000 0.314 1309 F C -0.839 175.023 175.800 0.103 0.000 1.075 1309 F CA -0.877 57.212 58.000 0.149 0.000 0.945 1309 F CB 1.373 40.479 39.000 0.176 0.000 1.310 1309 F HN 0.553 nan 8.300 nan 0.000 0.467 1310 E N 3.477 123.830 120.200 0.255 0.000 2.133 1310 E HA 0.358 4.705 4.350 -0.004 0.000 0.274 1310 E C -0.850 175.870 176.600 0.199 0.000 0.930 1310 E CA -0.874 55.614 56.400 0.145 0.000 0.770 1310 E CB 0.992 30.765 29.700 0.123 0.000 1.104 1310 E HN 0.601 nan 8.360 nan 0.000 0.403 1311 M N 3.144 122.834 119.600 0.149 0.000 2.245 1311 M HA 0.219 4.697 4.480 -0.004 0.000 0.292 1311 M C 0.887 177.252 176.300 0.109 0.000 1.176 1311 M CA -0.017 55.373 55.300 0.150 0.000 1.035 1311 M CB 0.433 33.107 32.600 0.123 0.000 1.440 1311 M HN 0.492 nan 8.290 nan 0.000 0.494 1312 K N 0.220 120.674 120.400 0.089 0.000 2.366 1312 K HA 0.005 4.322 4.320 -0.004 0.000 0.198 1312 K C 0.193 176.836 176.600 0.072 0.000 1.044 1312 K CA 0.452 56.782 56.287 0.070 0.000 0.973 1312 K CB 0.154 32.685 32.500 0.053 0.000 0.767 1312 K HN 0.788 nan 8.250 nan 0.000 0.475 1313 S N -2.022 113.727 115.700 0.083 0.000 2.587 1313 S HA 0.153 4.620 4.470 -0.004 0.000 0.269 1313 S C 0.180 174.865 174.600 0.142 0.000 1.154 1313 S CA -1.020 57.245 58.200 0.108 0.000 0.824 1313 S CB 0.183 63.430 63.200 0.078 0.000 1.118 1313 S HN 0.099 nan 8.310 nan 0.000 0.462 1314 F N 1.636 121.607 119.950 0.036 0.000 2.126 1314 F HA -0.051 4.473 4.527 -0.005 0.000 0.299 1314 F C 2.088 177.881 175.800 -0.012 0.000 1.096 1314 F CA 2.174 60.190 58.000 0.027 0.000 1.255 1314 F CB -0.175 38.845 39.000 0.033 0.000 0.997 1314 F HN 0.757 nan 8.300 nan 0.000 0.479 1315 E N 0.794 120.881 120.200 -0.188 0.000 2.077 1315 E HA -0.165 4.182 4.350 -0.004 0.000 0.193 1315 E C 2.276 178.753 176.600 -0.205 0.000 0.989 1315 E CA 1.333 57.565 56.400 -0.280 0.000 0.800 1315 E CB -0.645 29.000 29.700 -0.093 0.000 0.746 1315 E HN 0.506 nan 8.360 nan 0.000 0.452 1316 A N 0.850 123.614 122.820 -0.095 0.000 1.933 1316 A HA -0.078 4.240 4.320 -0.004 0.000 0.218 1316 A C 2.346 179.898 177.584 -0.052 0.000 1.175 1316 A CA 1.780 53.789 52.037 -0.046 0.000 0.628 1316 A CB -0.775 18.229 19.000 0.006 0.000 0.814 1316 A HN 0.286 nan 8.150 nan 0.000 0.444 1317 A N 0.242 123.012 122.820 -0.084 0.000 1.902 1317 A HA -0.176 4.142 4.320 -0.004 0.000 0.217 1317 A C 2.140 179.628 177.584 -0.161 0.000 1.181 1317 A CA 2.025 54.018 52.037 -0.073 0.000 0.623 1317 A CB -0.454 18.529 19.000 -0.029 0.000 0.818 1317 A HN 0.613 nan 8.150 nan 0.000 0.443 1318 K N -0.170 120.022 120.400 -0.347 0.000 2.097 1318 K HA -0.133 4.184 4.320 -0.004 0.000 0.205 1318 K C 2.065 178.584 176.600 -0.135 0.000 1.050 1318 K CA 1.673 57.750 56.287 -0.350 0.000 0.938 1318 K CB -0.191 31.940 32.500 -0.615 0.000 0.718 1318 K HN 0.385 nan 8.250 nan 0.000 0.442 1319 K N 0.553 120.914 120.400 -0.066 0.000 2.057 1319 K HA -0.135 4.182 4.320 -0.004 0.000 0.206 1319 K C 2.208 178.927 176.600 0.199 0.000 1.050 1319 K CA 1.122 57.473 56.287 0.106 0.000 0.935 1319 K CB -0.118 32.396 32.500 0.022 0.000 0.715 1319 K HN 0.172 nan 8.250 nan 0.000 0.439 1320 L N 1.027 122.301 121.223 0.084 0.000 1.994 1320 L HA -0.144 4.193 4.340 -0.004 0.000 0.208 1320 L C 2.093 179.022 176.870 0.098 0.000 1.071 1320 L CA 1.760 56.663 54.840 0.106 0.000 0.745 1320 L CB -0.299 41.830 42.059 0.117 0.000 0.892 1320 L HN 0.218 nan 8.230 nan 0.000 0.431 1321 M N -0.893 118.730 119.600 0.039 0.000 2.279 1321 M HA -0.176 4.301 4.480 -0.004 0.000 0.264 1321 M C 1.534 177.816 176.300 -0.029 0.000 1.062 1321 M CA 1.596 56.902 55.300 0.010 0.000 1.099 1321 M CB -0.308 32.274 32.600 -0.029 0.000 1.394 1321 M HN 0.354 nan 8.290 nan 0.000 0.426 1322 E N -1.187 118.963 120.200 -0.082 0.000 2.474 1322 E HA 0.021 4.369 4.350 -0.004 0.000 0.195 1322 E C 0.258 176.596 176.600 -0.436 0.000 1.039 1322 E CA 0.195 56.442 56.400 -0.255 0.000 0.881 1322 E CB 0.329 29.821 29.700 -0.347 0.000 0.970 1322 E HN 0.575 nan 8.360 nan 0.000 0.486 1323 H N 0.078 119.148 119.070 0.001 0.000 2.549 1323 H HA 0.260 4.814 4.556 -0.004 0.000 0.253 1323 H C -0.226 175.111 175.328 0.014 0.000 1.170 1323 H CA -0.091 55.963 56.048 0.010 0.000 0.943 1323 H CB 0.571 30.343 29.762 0.016 0.000 1.849 1323 H HN 0.001 nan 8.280 nan 0.000 0.603 1324 L N 1.006 122.273 121.223 0.073 0.000 2.344 1324 L HA 0.295 4.633 4.340 -0.004 0.000 0.272 1324 L C 1.081 177.971 176.870 0.033 0.000 1.035 1324 L CA -0.481 54.393 54.840 0.056 0.000 0.807 1324 L CB 1.478 43.565 42.059 0.046 0.000 1.237 1324 L HN -0.003 nan 8.230 nan 0.000 0.442 1325 K N 1.150 121.567 120.400 0.028 0.000 2.425 1325 K HA 0.179 4.496 4.320 -0.004 0.000 0.201 1325 K C 1.014 177.620 176.600 0.011 0.000 1.128 1325 K CA 0.377 56.674 56.287 0.018 0.000 1.000 1325 K CB 0.925 33.436 32.500 0.019 0.000 0.961 1325 K HN 0.400 nan 8.250 nan 0.000 0.555 1326 V N 1.083 121.003 119.914 0.010 0.000 3.212 1326 V HA 0.048 4.165 4.120 -0.004 0.000 0.244 1326 V C 0.968 177.068 176.094 0.009 0.000 1.151 1326 V CA 0.238 62.542 62.300 0.006 0.000 1.119 1326 V CB 0.365 32.188 31.823 0.000 0.000 0.838 1326 V HN 0.140 nan 8.190 nan 0.000 0.470 1327 C N 1.484 120.793 119.300 0.015 0.000 2.601 1327 C HA 0.498 4.955 4.460 -0.004 0.000 0.409 1327 C C 0.868 175.865 174.990 0.012 0.000 1.293 1327 C CA -0.239 58.789 59.018 0.018 0.000 2.101 1327 C CB -0.029 27.729 27.740 0.031 0.000 2.639 1327 C HN 0.397 nan 8.230 nan 0.000 0.592 1328 T N 3.893 118.451 114.554 0.007 0.000 2.758 1328 T HA 0.317 4.665 4.350 -0.004 0.000 0.285 1328 T C -0.252 174.449 174.700 0.002 0.000 0.981 1328 T CA -0.292 61.809 62.100 0.002 0.000 0.965 1328 T CB 0.849 69.716 68.868 -0.001 0.000 0.927 1328 T HN 0.494 nan 8.240 nan 0.000 0.448 1329 L N 4.384 125.606 121.223 -0.000 0.000 2.456 1329 L HA 0.572 4.909 4.340 -0.004 0.000 0.277 1329 L C -0.022 176.852 176.870 0.006 0.000 1.124 1329 L CA 0.512 55.353 54.840 0.002 0.000 0.880 1329 L CB -1.251 40.803 42.059 -0.008 0.000 1.192 1329 L HN 0.884 nan 8.230 nan 0.000 0.463 1330 A N 3.882 126.709 122.820 0.013 0.000 2.581 1330 A HA 0.564 4.881 4.320 -0.004 0.000 0.294 1330 A C -0.732 176.864 177.584 0.020 0.000 1.035 1330 A CA -0.253 51.793 52.037 0.014 0.000 0.684 1330 A CB 0.277 19.279 19.000 0.005 0.000 1.282 1330 A HN 1.135 nan 8.150 nan 0.000 0.417 1331 V N -0.297 119.634 119.914 0.029 0.000 3.441 1331 V HA 0.911 5.029 4.120 -0.004 0.000 0.300 1331 V C 0.672 176.774 176.094 0.014 0.000 1.062 1331 V CA 0.525 62.849 62.300 0.040 0.000 1.064 1331 V CB 0.829 32.692 31.823 0.066 0.000 1.197 1331 V HN 2.926 nan 8.190 nan 0.000 0.451 1332 S N -0.288 115.420 115.700 0.013 0.000 3.998 1332 S HA 0.014 4.481 4.470 -0.004 0.000 0.668 1332 S C -0.993 173.553 174.600 -0.088 0.000 1.288 1332 S CA 0.503 58.679 58.200 -0.039 0.000 1.411 1332 S CB -1.131 62.040 63.200 -0.048 0.000 0.368 1332 S HN 2.548 nan 8.310 nan 0.000 1.206 1333 L N -1.238 119.880 121.223 -0.175 0.000 2.838 1333 L HA 0.847 5.184 4.340 -0.004 0.000 0.266 1333 L C 0.898 177.468 176.870 -0.499 0.000 1.040 1333 L CA -0.047 54.611 54.840 -0.303 0.000 0.906 1333 L CB 0.921 42.766 42.059 -0.357 0.000 1.501 1333 L HN 2.210 nan 8.230 nan 0.000 0.407 1334 G N -0.607 107.733 108.800 -0.768 0.000 2.143 1334 G HA2 -0.198 3.759 3.960 -0.004 0.000 0.248 1334 G HA3 -0.198 3.759 3.960 -0.004 0.000 0.248 1334 G C 0.221 174.783 174.900 -0.563 0.000 0.991 1334 G CA 0.099 44.367 45.100 -1.386 0.000 0.689 1334 G HN 0.834 nan 8.290 nan 0.000 0.522 1335 C N -0.222 118.916 119.300 -0.270 0.000 2.500 1335 C HA 0.495 4.953 4.460 -0.004 0.000 0.367 1335 C C 2.540 177.549 174.990 0.031 0.000 1.283 1335 C CA -0.118 58.837 59.018 -0.105 0.000 2.456 1335 C CB 1.106 28.797 27.740 -0.083 0.000 2.457 1335 C HN 0.872 nan 8.230 nan 0.000 0.632 1336 V N -0.000 119.889 119.914 -0.042 0.000 2.490 1336 V HA -0.063 4.054 4.120 -0.004 0.000 0.250 1336 V C 0.787 176.872 176.094 -0.015 0.000 1.061 1336 V CA 1.793 64.061 62.300 -0.053 0.000 1.064 1336 V CB -0.997 30.705 31.823 -0.202 0.000 0.670 1336 V HN 0.941 nan 8.190 nan 0.000 0.461 1337 D N -0.049 120.344 120.400 -0.012 0.000 2.217 1337 D HA 0.206 4.843 4.640 -0.004 0.000 0.248 1337 D C -0.318 175.993 176.300 0.018 0.000 1.008 1337 D CA -0.419 53.581 54.000 0.000 0.000 0.914 1337 D CB 1.470 42.265 40.800 -0.008 0.000 1.182 1337 D HN 0.145 nan 8.370 nan 0.000 0.451 1338 T N 1.332 115.900 114.554 0.023 0.000 2.870 1338 T HA 0.348 4.695 4.350 -0.004 0.000 0.300 1338 T C 0.238 174.942 174.700 0.007 0.000 0.989 1338 T CA -0.273 61.844 62.100 0.028 0.000 1.139 1338 T CB 0.184 69.074 68.868 0.037 0.000 0.920 1338 T HN 0.184 nan 8.240 nan 0.000 0.537 1339 L N 3.730 124.948 121.223 -0.008 0.000 2.333 1339 L HA 0.763 5.101 4.340 -0.004 0.000 0.269 1339 L C -0.371 176.491 176.870 -0.014 0.000 1.010 1339 L CA -1.097 53.733 54.840 -0.016 0.000 0.818 1339 L CB 1.924 43.962 42.059 -0.035 0.000 1.306 1339 L HN 0.552 nan 8.230 nan 0.000 0.430 1340 I N 0.784 121.353 120.570 -0.001 0.000 2.913 1340 I HA 0.492 4.659 4.170 -0.004 0.000 0.302 1340 I C -1.503 174.623 176.117 0.015 0.000 1.246 1340 I CA -0.074 61.229 61.300 0.006 0.000 1.010 1340 I CB 2.503 40.523 38.000 0.034 0.000 1.259 1340 I HN 0.685 nan 8.210 nan 0.000 0.434 1341 E N 4.801 125.013 120.200 0.019 0.000 2.388 1341 E HA 0.205 4.552 4.350 -0.004 0.000 0.280 1341 E C -1.907 174.748 176.600 0.092 0.000 1.019 1341 E CA -0.619 55.814 56.400 0.055 0.000 0.806 1341 E CB 1.966 31.696 29.700 0.050 0.000 1.246 1341 E HN 0.722 nan 8.360 nan 0.000 0.443 1342 H N 4.475 123.553 119.070 0.013 0.000 2.691 1342 H HA 0.286 4.839 4.556 -0.005 0.000 0.281 1342 H C -1.980 173.377 175.328 0.049 0.000 1.121 1342 H CA -2.140 53.922 56.048 0.023 0.000 1.254 1342 H CB 1.493 31.296 29.762 0.068 0.000 1.390 1342 H HN 0.158 nan 8.280 nan 0.000 0.491 1343 P HA -0.163 nan 4.420 nan 0.000 0.216 1343 P C 1.321 178.562 177.300 -0.099 0.000 1.150 1343 P CA 1.727 64.799 63.100 -0.047 0.000 0.843 1343 P CB 0.207 31.841 31.700 -0.110 0.000 0.787 1344 A N -0.338 122.271 122.820 -0.353 0.000 2.019 1344 A HA -0.136 4.181 4.320 -0.004 0.000 0.219 1344 A C 2.052 179.580 177.584 -0.094 0.000 1.164 1344 A CA 2.195 54.081 52.037 -0.251 0.000 0.644 1344 A CB -1.124 17.657 19.000 -0.366 0.000 0.805 1344 A HN 0.366 nan 8.150 nan 0.000 0.449 1345 S N -2.990 112.711 115.700 0.003 0.000 2.603 1345 S HA 0.479 4.946 4.470 -0.004 0.000 0.232 1345 S C 1.010 175.670 174.600 0.100 0.000 1.016 1345 S CA 0.180 58.450 58.200 0.117 0.000 0.976 1345 S CB 0.046 63.398 63.200 0.255 0.000 0.921 1345 S HN 0.426 nan 8.310 nan 0.000 0.516 1346 M N 1.273 120.923 119.600 0.084 0.000 3.105 1346 M HA 0.185 4.663 4.480 -0.004 0.000 0.157 1346 M C 2.152 178.479 176.300 0.047 0.000 1.882 1346 M CA 0.879 56.224 55.300 0.074 0.000 1.650 1346 M CB -0.659 32.002 32.600 0.102 0.000 0.973 1346 M HN 0.220 nan 8.290 nan 0.000 0.629 1347 T N -1.494 113.111 114.554 0.085 0.000 2.897 1347 T HA -0.120 4.228 4.350 -0.004 0.000 0.271 1347 T C 1.073 175.637 174.700 -0.226 0.000 1.084 1347 T CA 1.293 63.414 62.100 0.034 0.000 1.123 1347 T CB -0.507 68.484 68.868 0.204 0.000 0.865 1347 T HN 0.408 nan 8.240 nan 0.000 0.496 1348 H N -0.723 118.313 119.070 -0.056 0.000 2.767 1348 H HA 0.612 5.166 4.556 -0.004 0.000 0.260 1348 H C 1.931 177.210 175.328 -0.083 0.000 1.172 1348 H CA 0.150 56.145 56.048 -0.088 0.000 1.048 1348 H CB 0.495 30.211 29.762 -0.076 0.000 1.697 1348 H HN 0.462 nan 8.280 nan 0.000 0.606 1349 A N 0.958 123.774 122.820 -0.006 0.000 2.067 1349 A HA 0.021 4.339 4.320 -0.004 0.000 0.219 1349 A C 2.291 179.849 177.584 -0.044 0.000 1.158 1349 A CA 1.397 53.423 52.037 -0.018 0.000 0.661 1349 A CB -0.159 18.836 19.000 -0.008 0.000 0.801 1349 A HN 0.353 nan 8.150 nan 0.000 0.452 1350 A N -0.752 122.021 122.820 -0.077 0.000 2.275 1350 A HA 0.434 4.751 4.320 -0.004 0.000 0.212 1350 A C 0.688 178.218 177.584 -0.091 0.000 1.201 1350 A CA 0.025 52.008 52.037 -0.091 0.000 0.843 1350 A CB -0.232 18.698 19.000 -0.117 0.000 0.873 1350 A HN 0.202 nan 8.150 nan 0.000 0.492 1351 V N 2.782 122.652 119.914 -0.074 0.000 2.479 1351 V HA 0.129 4.247 4.120 -0.004 0.000 0.281 1351 V C -2.102 173.970 176.094 -0.037 0.000 1.031 1351 V CA -1.312 60.958 62.300 -0.050 0.000 1.038 1351 V CB 0.344 32.170 31.823 0.006 0.000 0.981 1351 V HN 0.285 nan 8.190 nan 0.000 0.478 1352 P HA -0.029 nan 4.420 nan 0.000 0.264 1352 P C 0.878 178.162 177.300 -0.025 0.000 1.173 1352 P CA 0.141 63.220 63.100 -0.034 0.000 0.761 1352 P CB 0.567 32.248 31.700 -0.032 0.000 0.794 1353 E N 2.650 122.834 120.200 -0.027 0.000 2.097 1353 E HA -0.249 4.098 4.350 -0.004 0.000 0.196 1353 E C 1.565 178.153 176.600 -0.019 0.000 1.000 1353 E CA 2.131 58.516 56.400 -0.024 0.000 0.804 1353 E CB -0.835 28.850 29.700 -0.025 0.000 0.740 1353 E HN 0.715 nan 8.360 nan 0.000 0.454 1354 N N 0.225 118.915 118.700 -0.017 0.000 2.120 1354 N HA -0.138 4.599 4.740 -0.004 0.000 0.188 1354 N C 1.949 177.454 175.510 -0.008 0.000 1.024 1354 N CA 1.475 54.517 53.050 -0.012 0.000 0.852 1354 N CB -0.437 38.044 38.487 -0.011 0.000 1.003 1354 N HN 0.138 nan 8.380 nan 0.000 0.424 1355 I N -0.197 120.369 120.570 -0.007 0.000 2.252 1355 I HA -0.154 4.013 4.170 -0.004 0.000 0.245 1355 I C 2.614 178.732 176.117 0.000 0.000 1.102 1355 I CA 0.957 62.258 61.300 0.002 0.000 1.385 1355 I CB -0.234 37.769 38.000 0.005 0.000 1.064 1355 I HN 0.276 nan 8.210 nan 0.000 0.414 1356 M N 0.118 119.714 119.600 -0.006 0.000 2.279 1356 M HA -0.170 4.307 4.480 -0.004 0.000 0.264 1356 M C 2.423 178.710 176.300 -0.022 0.000 1.062 1356 M CA 1.623 56.915 55.300 -0.014 0.000 1.099 1356 M CB -0.093 32.496 32.600 -0.018 0.000 1.394 1356 M HN 0.133 nan 8.290 nan 0.000 0.426 1357 R N -0.375 120.114 120.500 -0.017 0.000 2.062 1357 R HA -0.108 4.229 4.340 -0.004 0.000 0.229 1357 R C 2.106 178.400 176.300 -0.010 0.000 1.128 1357 R CA 1.178 57.269 56.100 -0.015 0.000 0.960 1357 R CB -0.314 29.979 30.300 -0.013 0.000 0.855 1357 R HN 0.296 nan 8.270 nan 0.000 0.432 1358 K N 0.986 121.382 120.400 -0.005 0.000 2.063 1358 K HA -0.190 4.127 4.320 -0.004 0.000 0.208 1358 K C 2.168 178.767 176.600 -0.001 0.000 1.048 1358 K CA 1.546 57.833 56.287 0.000 0.000 0.928 1358 K CB 0.039 32.542 32.500 0.006 0.000 0.713 1358 K HN 0.213 nan 8.250 nan 0.000 0.442 1359 Q N -1.282 118.513 119.800 -0.008 0.000 2.230 1359 Q HA -0.021 4.316 4.340 -0.004 0.000 0.202 1359 Q C 0.882 176.866 176.000 -0.028 0.000 0.963 1359 Q CA 0.930 56.722 55.803 -0.019 0.000 0.866 1359 Q CB 0.391 29.107 28.738 -0.036 0.000 0.931 1359 Q HN 0.560 nan 8.270 nan 0.000 0.452 1360 G N 1.012 109.796 108.800 -0.025 0.000 2.132 1360 G HA2 -0.244 3.714 3.960 -0.004 0.000 0.228 1360 G HA3 -0.244 3.714 3.960 -0.004 0.000 0.228 1360 G C -0.075 174.802 174.900 -0.038 0.000 1.000 1360 G CA -0.260 44.828 45.100 -0.020 0.000 0.693 1360 G HN 0.256 nan 8.290 nan 0.000 0.515 1361 I N 2.401 122.933 120.570 -0.063 0.000 2.304 1361 I HA 0.479 4.646 4.170 -0.004 0.000 0.291 1361 I C 0.926 176.996 176.117 -0.079 0.000 1.018 1361 I CA 0.129 61.372 61.300 -0.094 0.000 1.260 1361 I CB 1.336 39.249 38.000 -0.145 0.000 1.390 1361 I HN 0.298 nan 8.210 nan 0.000 0.475 1362 T N 2.583 117.095 114.554 -0.071 0.000 2.924 1362 T HA 0.454 4.802 4.350 -0.004 0.000 0.291 1362 T C -2.250 172.420 174.700 -0.050 0.000 1.045 1362 T CA -2.129 59.943 62.100 -0.047 0.000 1.015 1362 T CB 2.026 70.890 68.868 -0.007 0.000 1.103 1362 T HN 0.169 nan 8.240 nan 0.000 0.496 1363 P HA 0.059 nan 4.420 nan 0.000 0.228 1363 P C 0.675 178.209 177.300 0.390 0.000 1.151 1363 P CA 0.625 63.821 63.100 0.160 0.000 0.770 1363 P CB 0.020 31.720 31.700 -0.000 0.000 0.786 1364 E N -1.053 119.263 120.200 0.194 0.000 2.482 1364 E HA 0.043 4.390 4.350 -0.004 0.000 0.196 1364 E C 0.409 177.067 176.600 0.096 0.000 1.047 1364 E CA 0.243 56.747 56.400 0.173 0.000 0.869 1364 E CB -0.328 29.439 29.700 0.112 0.000 0.836 1364 E HN 0.288 nan 8.360 nan 0.000 0.520 1365 L N 0.626 121.867 121.223 0.030 0.000 2.334 1365 L HA 0.413 4.751 4.340 -0.004 0.000 0.277 1365 L C -0.375 176.408 176.870 -0.145 0.000 1.075 1365 L CA -0.898 53.888 54.840 -0.091 0.000 0.804 1365 L CB 1.307 43.302 42.059 -0.105 0.000 1.174 1365 L HN -0.201 nan 8.230 nan 0.000 0.438 1366 V N 2.924 122.590 119.914 -0.414 0.000 2.656 1366 V HA 0.464 4.581 4.120 -0.004 0.000 0.307 1366 V C -0.256 175.499 176.094 -0.565 0.000 1.051 1366 V CA -0.722 61.281 62.300 -0.495 0.000 0.893 1366 V CB 2.173 33.519 31.823 -0.796 0.000 0.999 1366 V HN 0.699 nan 8.190 nan 0.000 0.426 1367 R N 3.846 124.186 120.500 -0.266 0.000 2.338 1367 R HA 0.688 5.025 4.340 -0.004 0.000 0.317 1367 R C -1.347 174.862 176.300 -0.151 0.000 0.968 1367 R CA -0.515 55.475 56.100 -0.183 0.000 0.849 1367 R CB 1.463 31.735 30.300 -0.046 0.000 1.128 1367 R HN 0.790 nan 8.270 nan 0.000 0.448 1368 I N 2.400 122.835 120.570 -0.224 0.000 2.474 1368 I HA 0.227 4.394 4.170 -0.004 0.000 0.294 1368 I C -0.863 175.104 176.117 -0.250 0.000 1.005 1368 I CA -0.323 60.862 61.300 -0.192 0.000 1.113 1368 I CB 2.079 40.008 38.000 -0.117 0.000 1.289 1368 I HN 0.554 nan 8.210 nan 0.000 0.436 1369 S N 6.926 122.551 115.700 -0.126 0.000 2.528 1369 S HA 0.415 4.883 4.470 -0.004 0.000 0.303 1369 S C -0.716 173.891 174.600 0.010 0.000 1.123 1369 S CA -0.576 57.566 58.200 -0.098 0.000 1.138 1369 S CB 0.383 63.493 63.200 -0.150 0.000 0.984 1369 S HN 0.393 nan 8.310 nan 0.000 0.474 1370 V N 5.531 125.517 119.914 0.120 0.000 2.470 1370 V HA 0.448 4.565 4.120 -0.004 0.000 0.276 1370 V C 1.462 177.738 176.094 0.304 0.000 1.040 1370 V CA 0.122 62.544 62.300 0.203 0.000 1.008 1370 V CB 0.615 32.611 31.823 0.289 0.000 0.990 1370 V HN 0.882 nan 8.190 nan 0.000 0.477 1371 G N 3.754 112.676 108.800 0.202 0.000 2.509 1371 G HA2 0.455 4.412 3.960 -0.004 0.000 0.269 1371 G HA3 0.455 4.412 3.960 -0.004 0.000 0.269 1371 G C 0.615 175.521 174.900 0.010 0.000 1.416 1371 G CA -0.335 44.876 45.100 0.186 0.000 1.052 1371 G HN 0.906 nan 8.290 nan 0.000 0.542 1372 I N -2.060 118.433 120.570 -0.127 0.000 3.904 1372 I HA 0.374 4.541 4.170 -0.004 0.000 0.333 1372 I C -0.128 175.944 176.117 -0.074 0.000 1.361 1372 I CA -0.331 60.868 61.300 -0.168 0.000 1.116 1372 I CB -0.113 37.732 38.000 -0.257 0.000 1.028 1372 I HN 0.110 nan 8.210 nan 0.000 0.398 1373 E N 2.363 122.540 120.200 -0.037 0.000 2.461 1373 E HA -0.077 4.270 4.350 -0.004 0.000 0.263 1373 E C 0.054 176.642 176.600 -0.020 0.000 1.143 1373 E CA 0.156 56.543 56.400 -0.023 0.000 0.994 1373 E CB 0.148 29.841 29.700 -0.011 0.000 0.973 1373 E HN 0.413 nan 8.360 nan 0.000 0.457 1374 N N 0.401 119.089 118.700 -0.019 0.000 2.359 1374 N HA -0.112 4.626 4.740 -0.004 0.000 0.261 1374 N C 0.745 176.243 175.510 -0.021 0.000 1.267 1374 N CA 0.065 53.103 53.050 -0.019 0.000 0.864 1374 N CB 0.657 39.132 38.487 -0.019 0.000 1.063 1374 N HN 0.351 nan 8.380 nan 0.000 0.474 1375 V N 3.351 123.255 119.914 -0.018 0.000 2.407 1375 V HA -0.225 3.892 4.120 -0.004 0.000 0.248 1375 V C 1.101 177.162 176.094 -0.056 0.000 1.055 1375 V CA 2.068 64.355 62.300 -0.022 0.000 1.049 1375 V CB -0.497 31.323 31.823 -0.006 0.000 0.662 1375 V HN 0.791 nan 8.190 nan 0.000 0.455 1376 D N -0.033 120.333 120.400 -0.058 0.000 2.144 1376 D HA -0.160 4.478 4.640 -0.004 0.000 0.199 1376 D C 1.852 178.098 176.300 -0.090 0.000 0.984 1376 D CA 1.605 55.556 54.000 -0.082 0.000 0.834 1376 D CB -0.332 40.433 40.800 -0.058 0.000 0.955 1376 D HN 0.520 nan 8.370 nan 0.000 0.465 1377 D N 0.383 120.747 120.400 -0.061 0.000 2.117 1377 D HA -0.057 4.580 4.640 -0.004 0.000 0.198 1377 D C 2.349 178.613 176.300 -0.061 0.000 0.982 1377 D CA 0.369 54.338 54.000 -0.052 0.000 0.828 1377 D CB -0.191 40.590 40.800 -0.031 0.000 0.967 1377 D HN 0.279 nan 8.370 nan 0.000 0.464 1378 I N 0.665 121.200 120.570 -0.057 0.000 2.202 1378 I HA -0.204 3.963 4.170 -0.004 0.000 0.242 1378 I C 2.417 178.467 176.117 -0.112 0.000 1.091 1378 I CA 0.724 61.994 61.300 -0.051 0.000 1.368 1378 I CB -0.110 37.881 38.000 -0.015 0.000 1.058 1378 I HN -0.069 nan 8.210 nan 0.000 0.410 1379 I N 0.739 121.191 120.570 -0.197 0.000 2.226 1379 I HA -0.273 3.894 4.170 -0.004 0.000 0.245 1379 I C 2.764 178.633 176.117 -0.414 0.000 1.100 1379 I CA 1.301 62.335 61.300 -0.444 0.000 1.374 1379 I CB -0.448 37.197 38.000 -0.591 0.000 1.057 1379 I HN 0.181 nan 8.210 nan 0.000 0.413 1380 A N 0.262 122.938 122.820 -0.240 0.000 1.972 1380 A HA -0.293 4.024 4.320 -0.004 0.000 0.219 1380 A C 1.964 179.497 177.584 -0.085 0.000 1.169 1380 A CA 2.280 54.228 52.037 -0.148 0.000 0.635 1380 A CB -0.626 18.321 19.000 -0.088 0.000 0.810 1380 A HN 0.466 nan 8.150 nan 0.000 0.446 1381 D N -0.193 120.164 120.400 -0.071 0.000 2.117 1381 D HA -0.089 4.548 4.640 -0.004 0.000 0.198 1381 D C 1.835 178.132 176.300 -0.004 0.000 0.982 1381 D CA 1.159 55.145 54.000 -0.023 0.000 0.828 1381 D CB -0.205 40.587 40.800 -0.014 0.000 0.967 1381 D HN 0.414 nan 8.370 nan 0.000 0.464 1382 L N 0.115 121.325 121.223 -0.022 0.000 2.017 1382 L HA -0.130 4.207 4.340 -0.004 0.000 0.208 1382 L C 2.636 179.545 176.870 0.064 0.000 1.073 1382 L CA 1.229 56.088 54.840 0.032 0.000 0.745 1382 L CB -0.506 41.592 42.059 0.064 0.000 0.894 1382 L HN 0.059 nan 8.230 nan 0.000 0.432 1383 K N 0.416 120.846 120.400 0.050 0.000 2.063 1383 K HA -0.269 4.048 4.320 -0.004 0.000 0.208 1383 K C 2.201 178.865 176.600 0.106 0.000 1.048 1383 K CA 1.948 58.332 56.287 0.161 0.000 0.928 1383 K CB 0.019 32.592 32.500 0.121 0.000 0.713 1383 K HN 0.364 nan 8.250 nan 0.000 0.442 1384 Q N 0.040 119.874 119.800 0.057 0.000 2.119 1384 Q HA -0.039 4.298 4.340 -0.004 0.000 0.201 1384 Q C 1.790 177.821 176.000 0.053 0.000 0.972 1384 Q CA 1.639 57.475 55.803 0.055 0.000 0.847 1384 Q CB -0.525 28.236 28.738 0.038 0.000 0.903 1384 Q HN 0.298 nan 8.270 nan 0.000 0.433 1385 A N 1.002 123.853 122.820 0.053 0.000 1.929 1385 A HA 0.031 4.349 4.320 -0.004 0.000 0.216 1385 A C 2.126 179.728 177.584 0.031 0.000 1.176 1385 A CA 1.092 53.161 52.037 0.054 0.000 0.628 1385 A CB -0.662 18.391 19.000 0.088 0.000 0.816 1385 A HN 0.395 nan 8.150 nan 0.000 0.444 1386 L N -0.794 120.440 121.223 0.019 0.000 2.362 1386 L HA -0.086 4.252 4.340 -0.004 0.000 0.219 1386 L C 1.458 178.363 176.870 0.060 0.000 1.134 1386 L CA 0.950 55.781 54.840 -0.016 0.000 0.807 1386 L CB -0.218 41.699 42.059 -0.237 0.000 0.927 1386 L HN 0.435 nan 8.230 nan 0.000 0.447 1387 E N -0.323 119.925 120.200 0.080 0.000 2.558 1387 E HA 0.193 4.541 4.350 -0.004 0.000 0.205 1387 E C 0.048 176.690 176.600 0.069 0.000 1.006 1387 E CA -0.307 56.152 56.400 0.097 0.000 0.961 1387 E CB 0.530 30.308 29.700 0.130 0.000 1.044 1387 E HN 0.325 nan 8.360 nan 0.000 0.465 1388 L N 2.184 123.427 121.223 0.033 0.000 2.525 1388 L HA -0.030 4.307 4.340 -0.004 0.000 0.278 1388 L C 0.984 177.895 176.870 0.069 0.000 1.218 1388 L CA -0.070 54.787 54.840 0.028 0.000 0.878 1388 L CB 0.288 42.296 42.059 -0.084 0.000 1.127 1388 L HN 0.373 nan 8.230 nan 0.000 0.492 1389 W N 0.000 121.269 121.300 -0.052 0.000 2.388 1389 W HA 0.000 4.657 4.660 -0.005 0.000 0.303 1389 W CA 0.000 57.319 57.345 -0.042 0.000 1.226 1389 W CB 0.000 29.436 29.460 -0.039 0.000 1.126 1389 W HN 0.000 nan 8.180 nan 0.000 0.535