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 1c3v_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MRVGVLGAKG KVGTTMVRAV AAADDLTLSA ELDAGDPLSL LTDGNTEVVI DATA SEQUENCE DFTHPDVVMG NLEFLIDNGI HAVVGTTGFT AERFQQVESW LVAKPNTSVL DATA SEQUENCE IAPNFAIGAV LSMHFAKQAA RFFDSAEVIE LHHPHKADAP SGTAARTAKL DATA SEQUENCE IAEARKGLPP NPDATSTSLP GARGADVDGI PVHAVRLAGL VAHQEVLFGT DATA SEQUENCE EGETLTIRHD SLDRTSFVPG VLLAVRRIAE RPGLTVGLEP LLDLH 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.314 176.300 0.023 0.000 1.140 1001 M CA 0.000 55.313 55.300 0.022 0.000 0.988 1001 M CB 0.000 32.613 32.600 0.022 0.000 1.302 1002 R N 3.042 123.558 120.500 0.027 0.000 2.267 1002 R HA 0.582 4.922 4.340 -0.000 0.000 0.319 1002 R C -1.068 175.251 176.300 0.033 0.000 1.067 1002 R CA -0.409 55.707 56.100 0.026 0.000 0.936 1002 R CB 0.846 31.161 30.300 0.024 0.000 1.006 1002 R HN 0.391 nan 8.270 nan 0.000 0.452 1003 V N 1.914 121.846 119.914 0.029 0.000 2.588 1003 V HA 0.541 4.661 4.120 -0.000 0.000 0.304 1003 V C 0.465 176.578 176.094 0.032 0.000 1.042 1003 V CA -0.918 61.402 62.300 0.033 0.000 0.877 1003 V CB 2.044 33.884 31.823 0.027 0.000 0.996 1003 V HN 0.938 nan 8.190 nan 0.000 0.425 1004 G N 2.441 111.264 108.800 0.039 0.000 2.420 1004 G HA2 0.652 4.612 3.960 -0.000 0.000 0.331 1004 G HA3 0.652 4.612 3.960 -0.000 0.000 0.331 1004 G C -1.269 173.657 174.900 0.043 0.000 1.168 1004 G CA -0.621 44.501 45.100 0.037 0.000 0.936 1004 G HN 0.551 nan 8.290 nan 0.000 0.479 1005 V N 2.319 122.258 119.914 0.041 0.000 2.384 1005 V HA 0.335 4.455 4.120 -0.000 0.000 0.287 1005 V C 0.051 176.177 176.094 0.054 0.000 1.020 1005 V CA -0.587 61.747 62.300 0.057 0.000 0.850 1005 V CB 1.397 33.251 31.823 0.052 0.000 0.987 1005 V HN 0.580 nan 8.190 nan 0.000 0.436 1006 L N 4.914 126.178 121.223 0.069 0.000 2.261 1006 L HA 0.605 4.945 4.340 -0.000 0.000 0.289 1006 L C 1.082 178.003 176.870 0.085 0.000 1.059 1006 L CA 0.365 55.239 54.840 0.056 0.000 0.816 1006 L CB 0.893 42.980 42.059 0.047 0.000 1.191 1006 L HN 1.005 nan 8.230 nan 0.000 0.431 1007 G N 2.556 111.393 108.800 0.061 0.000 2.167 1007 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.194 1007 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.194 1007 G C 0.829 175.765 174.900 0.060 0.000 1.027 1007 G CA 0.013 45.156 45.100 0.071 0.000 0.717 1007 G HN 0.814 nan 8.290 nan 0.000 0.501 1008 A N -0.851 121.993 122.820 0.039 0.000 2.194 1008 A HA 0.106 4.426 4.320 -0.000 0.000 0.220 1008 A C 2.150 179.738 177.584 0.008 0.000 1.162 1008 A CA 2.231 54.281 52.037 0.022 0.000 0.674 1008 A CB -0.162 18.846 19.000 0.014 0.000 0.789 1008 A HN 0.404 nan 8.150 nan 0.000 0.470 1009 K N -0.483 119.922 120.400 0.009 0.000 2.361 1009 K HA 0.204 4.524 4.320 -0.000 0.000 0.194 1009 K C 1.186 177.782 176.600 -0.006 0.000 1.032 1009 K CA 0.519 56.805 56.287 -0.002 0.000 1.048 1009 K CB -0.056 32.441 32.500 -0.004 0.000 0.842 1009 K HN 0.376 nan 8.250 nan 0.000 0.526 1010 G N 0.414 109.219 108.800 0.008 0.000 2.667 1010 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.250 1010 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.250 1010 G C 0.376 175.259 174.900 -0.028 0.000 1.212 1010 G CA -0.372 44.730 45.100 0.005 0.000 0.874 1010 G HN 0.098 nan 8.290 nan 0.000 0.561 1011 K N -0.681 119.693 120.400 -0.043 0.000 2.044 1011 K HA -0.135 4.185 4.320 -0.000 0.000 0.210 1011 K C 2.529 179.085 176.600 -0.073 0.000 1.049 1011 K CA 1.482 57.728 56.287 -0.069 0.000 0.927 1011 K CB -0.260 32.180 32.500 -0.100 0.000 0.713 1011 K HN 0.255 nan 8.250 nan 0.000 0.443 1012 V N 0.057 119.911 119.914 -0.100 0.000 2.446 1012 V HA -0.075 4.045 4.120 -0.000 0.000 0.244 1012 V C 2.299 178.234 176.094 -0.264 0.000 1.039 1012 V CA 1.879 64.034 62.300 -0.240 0.000 1.045 1012 V CB -0.712 30.806 31.823 -0.508 0.000 0.681 1012 V HN 0.477 nan 8.190 nan 0.000 0.459 1013 G N 0.659 109.381 108.800 -0.131 0.000 2.476 1013 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 1013 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 1013 G C 1.661 176.533 174.900 -0.046 0.000 1.164 1013 G CA 1.784 46.858 45.100 -0.043 0.000 0.768 1013 G HN 0.477 nan 8.290 nan 0.000 0.560 1014 T N 0.934 115.462 114.554 -0.044 0.000 2.803 1014 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 1014 T C 2.537 177.210 174.700 -0.045 0.000 1.052 1014 T CA 1.748 63.827 62.100 -0.036 0.000 1.136 1014 T CB -0.437 68.411 68.868 -0.034 0.000 0.864 1014 T HN 0.333 nan 8.240 nan 0.000 0.467 1015 T N 2.318 116.831 114.554 -0.067 0.000 2.770 1015 T HA 0.036 4.386 4.350 -0.000 0.000 0.263 1015 T C 2.047 176.708 174.700 -0.065 0.000 1.039 1015 T CA 0.785 62.845 62.100 -0.066 0.000 1.142 1015 T CB -0.214 68.609 68.868 -0.075 0.000 0.868 1015 T HN 0.179 nan 8.240 nan 0.000 0.435 1016 M N 1.092 120.639 119.600 -0.089 0.000 2.117 1016 M HA -0.021 4.459 4.480 -0.000 0.000 0.262 1016 M C 2.490 178.775 176.300 -0.024 0.000 1.065 1016 M CA 0.983 56.247 55.300 -0.059 0.000 1.114 1016 M CB -1.481 31.090 32.600 -0.048 0.000 1.361 1016 M HN 0.123 nan 8.290 nan 0.000 0.408 1017 V N -0.032 119.871 119.914 -0.018 0.000 2.287 1017 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 1017 V C 2.545 178.632 176.094 -0.011 0.000 1.053 1017 V CA 1.870 64.166 62.300 -0.007 0.000 1.027 1017 V CB -0.645 31.175 31.823 -0.006 0.000 0.646 1017 V HN 0.367 nan 8.190 nan 0.000 0.447 1018 R N -0.119 120.370 120.500 -0.018 0.000 2.091 1018 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 1018 R C 2.329 178.619 176.300 -0.016 0.000 1.136 1018 R CA 1.624 57.714 56.100 -0.017 0.000 0.959 1018 R CB -0.745 29.542 30.300 -0.022 0.000 0.856 1018 R HN 0.566 nan 8.270 nan 0.000 0.437 1019 A N -0.186 122.622 122.820 -0.020 0.000 1.877 1019 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 1019 A C 2.261 179.838 177.584 -0.011 0.000 1.186 1019 A CA 1.582 53.608 52.037 -0.018 0.000 0.620 1019 A CB -0.636 18.350 19.000 -0.023 0.000 0.822 1019 A HN 0.146 nan 8.150 nan 0.000 0.443 1020 V N -0.098 119.811 119.914 -0.009 0.000 2.407 1020 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 1020 V C 2.997 179.090 176.094 -0.001 0.000 1.055 1020 V CA 1.818 64.116 62.300 -0.003 0.000 1.049 1020 V CB -1.126 30.699 31.823 0.003 0.000 0.662 1020 V HN 0.610 nan 8.190 nan 0.000 0.455 1021 A N -0.239 122.579 122.820 -0.003 0.000 2.015 1021 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 1021 A C 2.298 179.880 177.584 -0.003 0.000 1.163 1021 A CA 1.816 53.852 52.037 -0.002 0.000 0.646 1021 A CB -0.452 18.545 19.000 -0.004 0.000 0.806 1021 A HN 0.563 nan 8.150 nan 0.000 0.448 1022 A N -0.508 122.309 122.820 -0.005 0.000 2.081 1022 A HA 0.560 4.880 4.320 -0.000 0.000 0.214 1022 A C 1.451 179.033 177.584 -0.004 0.000 1.158 1022 A CA 0.706 52.740 52.037 -0.005 0.000 0.724 1022 A CB -0.649 18.347 19.000 -0.008 0.000 0.826 1022 A HN 0.995 nan 8.150 nan 0.000 0.463 1023 A N 1.677 124.495 122.820 -0.003 0.000 2.476 1023 A HA 0.332 4.652 4.320 -0.000 0.000 0.275 1023 A C 0.904 178.488 177.584 0.000 0.000 1.133 1023 A CA 0.269 52.305 52.037 -0.002 0.000 0.797 1023 A CB -0.062 18.938 19.000 -0.001 0.000 1.081 1023 A HN 0.504 nan 8.150 nan 0.000 0.510 1024 D N 2.651 123.051 120.400 0.000 0.000 2.263 1024 D HA -0.189 4.451 4.640 -0.000 0.000 0.208 1024 D C 0.578 176.879 176.300 0.002 0.000 0.971 1024 D CA 1.410 55.410 54.000 0.001 0.000 0.867 1024 D CB -0.055 40.745 40.800 0.001 0.000 0.929 1024 D HN 0.628 nan 8.370 nan 0.000 0.492 1025 D N -0.028 120.373 120.400 0.002 0.000 2.369 1025 D HA 0.054 4.694 4.640 -0.000 0.000 0.211 1025 D C 0.446 176.749 176.300 0.005 0.000 1.077 1025 D CA -0.248 53.754 54.000 0.004 0.000 0.842 1025 D CB 0.098 40.899 40.800 0.003 0.000 0.947 1025 D HN 0.247 nan 8.370 nan 0.000 0.509 1026 L N -0.021 121.205 121.223 0.005 0.000 2.370 1026 L HA 0.470 4.810 4.340 -0.000 0.000 0.266 1026 L C -0.552 176.323 176.870 0.008 0.000 1.002 1026 L CA -0.676 54.168 54.840 0.007 0.000 0.818 1026 L CB 2.493 44.556 42.059 0.006 0.000 1.325 1026 L HN -0.290 nan 8.230 nan 0.000 0.418 1027 T N 2.894 117.454 114.554 0.010 0.000 2.786 1027 T HA 0.340 4.690 4.350 -0.000 0.000 0.283 1027 T C -0.266 174.441 174.700 0.012 0.000 0.992 1027 T CA -0.350 61.756 62.100 0.010 0.000 0.954 1027 T CB 1.446 70.320 68.868 0.011 0.000 0.934 1027 T HN 0.376 nan 8.240 nan 0.000 0.440 1028 L N 4.260 125.489 121.223 0.010 0.000 2.515 1028 L HA 0.178 4.518 4.340 -0.000 0.000 0.281 1028 L C 1.538 178.416 176.870 0.012 0.000 1.131 1028 L CA -0.017 54.830 54.840 0.011 0.000 0.905 1028 L CB 0.319 42.383 42.059 0.008 0.000 1.246 1028 L HN 0.853 nan 8.230 nan 0.000 0.463 1029 S N 3.215 118.925 115.700 0.017 0.000 2.458 1029 S HA 0.287 4.757 4.470 -0.000 0.000 0.223 1029 S C 0.592 175.202 174.600 0.017 0.000 1.019 1029 S CA 0.243 58.453 58.200 0.017 0.000 0.937 1029 S CB 0.339 63.551 63.200 0.021 0.000 0.788 1029 S HN 0.667 nan 8.310 nan 0.000 0.511 1030 A N 0.274 123.105 122.820 0.018 0.000 2.549 1030 A HA 0.751 5.071 4.320 -0.000 0.000 0.297 1030 A C -0.789 176.803 177.584 0.013 0.000 1.061 1030 A CA -0.656 51.391 52.037 0.015 0.000 0.690 1030 A CB 1.283 20.295 19.000 0.020 0.000 1.287 1030 A HN 0.245 nan 8.150 nan 0.000 0.402 1031 E N 1.605 121.809 120.200 0.007 0.000 4.052 1031 E HA 0.277 4.627 4.350 -0.000 0.000 0.219 1031 E C -1.155 175.445 176.600 0.000 0.000 1.166 1031 E CA -0.302 56.101 56.400 0.006 0.000 1.338 1031 E CB 0.581 30.283 29.700 0.003 0.000 1.212 1031 E HN 0.583 nan 8.360 nan 0.000 0.432 1032 L N 1.173 122.395 121.223 -0.002 0.000 2.467 1032 L HA 0.145 4.485 4.340 -0.000 0.000 0.270 1032 L C 0.441 177.307 176.870 -0.007 0.000 1.205 1032 L CA 0.997 55.828 54.840 -0.015 0.000 0.828 1032 L CB 0.229 42.269 42.059 -0.032 0.000 1.101 1032 L HN 0.254 nan 8.230 nan 0.000 0.479 1033 D N 0.054 120.445 120.400 -0.015 0.000 2.744 1033 D HA 0.610 5.250 4.640 -0.000 0.000 0.304 1033 D C -1.090 175.199 176.300 -0.018 0.000 1.179 1033 D CA -0.427 53.568 54.000 -0.008 0.000 1.024 1033 D CB 1.420 42.215 40.800 -0.008 0.000 1.453 1033 D HN 0.628 nan 8.370 nan 0.000 0.529 1034 A N -0.509 122.303 122.820 -0.014 0.000 2.522 1034 A HA 0.500 4.820 4.320 -0.000 0.000 0.256 1034 A C 1.256 178.823 177.584 -0.029 0.000 1.086 1034 A CA 1.225 53.249 52.037 -0.022 0.000 0.763 1034 A CB -0.900 18.087 19.000 -0.020 0.000 1.024 1034 A HN 1.187 nan 8.150 nan 0.000 0.502 1035 G N 2.530 111.307 108.800 -0.038 0.000 2.399 1035 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 1035 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 1035 G C 0.035 174.906 174.900 -0.048 0.000 1.096 1035 G CA 0.193 45.269 45.100 -0.040 0.000 0.650 1035 G HN 0.829 nan 8.290 nan 0.000 0.512 1036 D N 4.224 124.596 120.400 -0.047 0.000 2.533 1036 D HA 0.392 5.032 4.640 -0.000 0.000 0.236 1036 D C -1.450 174.800 176.300 -0.083 0.000 1.137 1036 D CA -0.056 53.912 54.000 -0.054 0.000 0.867 1036 D CB 0.611 41.384 40.800 -0.045 0.000 1.170 1036 D HN 0.416 nan 8.370 nan 0.000 0.474 1037 P HA -0.002 nan 4.420 nan 0.000 0.267 1037 P C 0.823 178.009 177.300 -0.191 0.000 1.205 1037 P CA -0.188 62.839 63.100 -0.121 0.000 0.765 1037 P CB 0.854 32.508 31.700 -0.078 0.000 0.828 1038 L N 2.008 123.021 121.223 -0.349 0.000 2.450 1038 L HA -0.133 4.207 4.340 -0.000 0.000 0.224 1038 L C 2.255 178.819 176.870 -0.509 0.000 1.149 1038 L CA 1.065 55.509 54.840 -0.660 0.000 0.816 1038 L CB -0.568 40.674 42.059 -1.361 0.000 0.932 1038 L HN 0.415 nan 8.230 nan 0.000 0.449 1039 S N -0.177 115.401 115.700 -0.203 0.000 2.453 1039 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 1039 S C 1.915 176.536 174.600 0.035 0.000 1.005 1039 S CA 0.551 58.769 58.200 0.030 0.000 0.949 1039 S CB -0.036 63.186 63.200 0.037 0.000 0.774 1039 S HN 0.361 nan 8.310 nan 0.000 0.510 1040 L N 0.872 122.082 121.223 -0.021 0.000 2.127 1040 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 1040 L C 2.017 178.902 176.870 0.025 0.000 1.089 1040 L CA 0.964 55.802 54.840 -0.003 0.000 0.757 1040 L CB -0.390 41.655 42.059 -0.024 0.000 0.899 1040 L HN 0.354 nan 8.230 nan 0.000 0.434 1041 L N -0.765 120.485 121.223 0.045 0.000 2.005 1041 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 1041 L C 2.679 179.614 176.870 0.108 0.000 1.072 1041 L CA 1.990 56.886 54.840 0.093 0.000 0.744 1041 L CB -0.925 41.235 42.059 0.169 0.000 0.895 1041 L HN 0.398 nan 8.230 nan 0.000 0.433 1042 T N -3.960 110.690 114.554 0.160 0.000 2.977 1042 T HA -0.214 4.136 4.350 -0.000 0.000 0.271 1042 T C 1.527 176.261 174.700 0.057 0.000 1.105 1042 T CA 1.188 63.349 62.100 0.101 0.000 1.116 1042 T CB -0.323 68.618 68.868 0.122 0.000 0.878 1042 T HN 0.364 nan 8.240 nan 0.000 0.509 1043 D N 2.058 122.490 120.400 0.054 0.000 2.103 1043 D HA -0.027 4.613 4.640 -0.000 0.000 0.199 1043 D C 2.216 178.530 176.300 0.024 0.000 0.978 1043 D CA 1.187 55.206 54.000 0.031 0.000 0.829 1043 D CB -0.490 40.325 40.800 0.025 0.000 0.981 1043 D HN 0.532 nan 8.370 nan 0.000 0.464 1044 G N -0.070 108.745 108.800 0.026 0.000 3.026 1044 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.208 1044 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.208 1044 G C 0.133 175.045 174.900 0.020 0.000 1.169 1044 G CA 0.156 45.268 45.100 0.021 0.000 0.788 1044 G HN 0.458 nan 8.290 nan 0.000 0.533 1045 N N -0.122 118.590 118.700 0.021 0.000 2.738 1045 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 1045 N C -0.160 175.360 175.510 0.016 0.000 1.047 1045 N CA 0.655 53.713 53.050 0.013 0.000 0.707 1045 N CB -1.911 36.581 38.487 0.008 0.000 0.937 1045 N HN 0.219 nan 8.380 nan 0.000 0.545 1046 T N 0.354 114.923 114.554 0.026 0.000 2.919 1046 T HA 0.109 4.459 4.350 -0.000 0.000 0.302 1046 T C 1.557 176.269 174.700 0.020 0.000 1.031 1046 T CA -0.028 62.091 62.100 0.031 0.000 1.127 1046 T CB 1.006 69.902 68.868 0.047 0.000 0.952 1046 T HN 0.401 nan 8.240 nan 0.000 0.540 1047 E N 0.719 120.939 120.200 0.034 0.000 2.399 1047 E HA 0.241 4.591 4.350 -0.000 0.000 0.205 1047 E C -0.099 176.556 176.600 0.091 0.000 0.906 1047 E CA 0.032 56.456 56.400 0.040 0.000 0.998 1047 E CB 0.476 30.220 29.700 0.073 0.000 1.002 1047 E HN 0.363 nan 8.360 nan 0.000 0.501 1048 V N 1.533 121.504 119.914 0.095 0.000 2.808 1048 V HA 0.453 4.573 4.120 -0.000 0.000 0.308 1048 V C -0.930 175.210 176.094 0.076 0.000 1.099 1048 V CA -1.128 61.241 62.300 0.115 0.000 0.920 1048 V CB 2.177 34.064 31.823 0.106 0.000 1.014 1048 V HN 0.077 nan 8.190 nan 0.000 0.425 1049 V N 5.360 125.320 119.914 0.076 0.000 2.789 1049 V HA 0.648 4.768 4.120 -0.000 0.000 0.311 1049 V C -0.848 175.279 176.094 0.054 0.000 1.073 1049 V CA -0.541 61.797 62.300 0.063 0.000 0.921 1049 V CB 2.014 33.879 31.823 0.069 0.000 1.009 1049 V HN 0.784 nan 8.190 nan 0.000 0.426 1050 I N 5.747 126.352 120.570 0.057 0.000 2.304 1050 I HA 0.411 4.581 4.170 -0.000 0.000 0.291 1050 I C -0.419 175.744 176.117 0.078 0.000 1.018 1050 I CA -0.183 61.154 61.300 0.062 0.000 1.260 1050 I CB 1.235 39.302 38.000 0.112 0.000 1.390 1050 I HN 0.550 nan 8.210 nan 0.000 0.475 1051 D N 7.137 127.525 120.400 -0.020 0.000 2.349 1051 D HA 0.293 4.933 4.640 -0.000 0.000 0.232 1051 D C -1.045 175.129 176.300 -0.211 0.000 1.071 1051 D CA -0.228 53.753 54.000 -0.032 0.000 0.832 1051 D CB 0.974 41.768 40.800 -0.009 0.000 1.086 1051 D HN 0.313 nan 8.370 nan 0.000 0.504 1052 F N 2.501 122.480 119.950 0.050 0.000 2.593 1052 F HA 0.092 4.619 4.527 -0.000 0.000 0.336 1052 F C 1.296 177.126 175.800 0.050 0.000 1.491 1052 F CA -0.421 57.606 58.000 0.045 0.000 1.114 1052 F CB 1.012 40.024 39.000 0.020 0.000 1.468 1052 F HN 0.235 nan 8.300 nan 0.000 0.579 1053 T N -2.842 111.806 114.554 0.156 0.000 2.507 1053 T HA 0.350 4.700 4.350 -0.000 0.000 0.180 1053 T C -0.441 174.361 174.700 0.171 0.000 0.681 1053 T CA 0.093 62.281 62.100 0.147 0.000 1.959 1053 T CB 0.439 69.372 68.868 0.108 0.000 2.896 1053 T HN 0.259 nan 8.240 nan 0.000 0.391 1054 H N 1.258 120.351 119.070 0.040 0.000 2.974 1054 H HA 0.419 4.975 4.556 -0.000 0.000 0.366 1054 H C -2.269 173.052 175.328 -0.010 0.000 1.155 1054 H CA -1.801 54.261 56.048 0.022 0.000 1.186 1054 H CB 2.424 32.196 29.762 0.016 0.000 1.799 1054 H HN 0.124 nan 8.280 nan 0.000 0.541 1055 P HA -0.170 nan 4.420 nan 0.000 0.220 1055 P C 0.247 177.522 177.300 -0.041 0.000 1.144 1055 P CA 1.183 64.169 63.100 -0.189 0.000 0.800 1055 P CB 0.497 32.031 31.700 -0.277 0.000 0.772 1056 D N -0.489 120.040 120.400 0.215 0.000 2.347 1056 D HA -0.047 4.593 4.640 -0.000 0.000 0.215 1056 D C 1.771 178.114 176.300 0.072 0.000 0.976 1056 D CA 0.800 54.890 54.000 0.150 0.000 0.884 1056 D CB 0.171 41.082 40.800 0.186 0.000 0.915 1056 D HN 0.244 nan 8.370 nan 0.000 0.526 1057 V N -3.145 116.815 119.914 0.077 0.000 3.562 1057 V HA 0.069 4.189 4.120 -0.000 0.000 0.270 1057 V C 2.033 178.147 176.094 0.034 0.000 1.418 1057 V CA -0.065 62.261 62.300 0.044 0.000 1.033 1057 V CB 0.056 31.905 31.823 0.042 0.000 0.820 1057 V HN -0.091 nan 8.190 nan 0.000 0.441 1058 V N 0.889 120.814 119.914 0.018 0.000 2.231 1058 V HA -0.310 3.810 4.120 -0.000 0.000 0.250 1058 V C 2.846 178.978 176.094 0.063 0.000 1.058 1058 V CA 2.914 65.233 62.300 0.032 0.000 1.022 1058 V CB -1.083 30.723 31.823 -0.029 0.000 0.640 1058 V HN 0.461 nan 8.190 nan 0.000 0.445 1059 M N 0.665 120.285 119.600 0.033 0.000 2.144 1059 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 1059 M C 2.270 178.708 176.300 0.230 0.000 1.067 1059 M CA 2.210 57.629 55.300 0.198 0.000 1.095 1059 M CB -2.049 30.627 32.600 0.126 0.000 1.365 1059 M HN 0.518 nan 8.290 nan 0.000 0.406 1060 G N 0.527 109.396 108.800 0.114 0.000 2.453 1060 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.215 1060 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.215 1060 G C 1.312 176.216 174.900 0.005 0.000 1.201 1060 G CA 1.200 46.340 45.100 0.067 0.000 0.784 1060 G HN 0.576 nan 8.290 nan 0.000 0.545 1061 N N 0.492 119.198 118.700 0.010 0.000 2.120 1061 N HA -0.030 4.710 4.740 -0.000 0.000 0.188 1061 N C 2.178 177.696 175.510 0.013 0.000 1.024 1061 N CA 0.707 53.764 53.050 0.011 0.000 0.852 1061 N CB -0.274 38.223 38.487 0.016 0.000 1.003 1061 N HN 0.221 nan 8.380 nan 0.000 0.424 1062 L N 0.842 122.062 121.223 -0.004 0.000 2.129 1062 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 1062 L C 3.024 179.656 176.870 -0.397 0.000 1.087 1062 L CA 1.773 56.582 54.840 -0.050 0.000 0.757 1062 L CB -0.742 41.412 42.059 0.159 0.000 0.896 1062 L HN 0.478 nan 8.230 nan 0.000 0.434 1063 E N -0.036 119.724 120.200 -0.733 0.000 2.028 1063 E HA -0.304 4.046 4.350 -0.000 0.000 0.191 1063 E C 1.853 178.147 176.600 -0.510 0.000 0.988 1063 E CA 1.393 57.086 56.400 -1.179 0.000 0.799 1063 E CB -1.049 28.074 29.700 -0.962 0.000 0.755 1063 E HN 0.489 nan 8.360 nan 0.000 0.447 1064 F N 1.125 120.864 119.950 -0.352 0.000 2.069 1064 F HA -0.128 4.399 4.527 0.000 0.000 0.298 1064 F C 2.319 178.008 175.800 -0.186 0.000 1.113 1064 F CA 2.095 59.968 58.000 -0.211 0.000 1.214 1064 F CB -0.272 38.647 39.000 -0.135 0.000 0.978 1064 F HN 0.164 nan 8.300 nan 0.000 0.474 1065 L N 0.319 121.552 121.223 0.017 0.000 1.990 1065 L HA -0.279 4.061 4.340 -0.000 0.000 0.213 1065 L C 2.504 179.253 176.870 -0.200 0.000 1.072 1065 L CA 1.834 56.636 54.840 -0.064 0.000 0.755 1065 L CB -0.913 41.172 42.059 0.044 0.000 0.889 1065 L HN 0.206 nan 8.230 nan 0.000 0.432 1066 I N -0.345 120.103 120.570 -0.202 0.000 2.530 1066 I HA -0.276 3.894 4.170 -0.000 0.000 0.257 1066 I C 1.906 177.890 176.117 -0.221 0.000 1.179 1066 I CA 0.954 62.144 61.300 -0.183 0.000 1.440 1066 I CB -0.375 37.522 38.000 -0.171 0.000 1.087 1066 I HN 0.298 nan 8.210 nan 0.000 0.440 1067 D N 1.025 121.240 120.400 -0.308 0.000 2.091 1067 D HA -0.102 4.538 4.640 -0.000 0.000 0.199 1067 D C 1.528 177.654 176.300 -0.290 0.000 0.980 1067 D CA 1.144 54.971 54.000 -0.288 0.000 0.831 1067 D CB -0.283 40.318 40.800 -0.332 0.000 0.987 1067 D HN 0.232 nan 8.370 nan 0.000 0.460 1068 N N -0.147 118.307 118.700 -0.411 0.000 2.501 1068 N HA 0.169 4.909 4.740 -0.000 0.000 0.195 1068 N C 0.985 176.344 175.510 -0.252 0.000 1.213 1068 N CA 0.809 53.646 53.050 -0.355 0.000 0.864 1068 N CB 0.281 38.467 38.487 -0.500 0.000 0.999 1068 N HN 0.198 nan 8.380 nan 0.000 0.454 1069 G N 0.266 108.926 108.800 -0.232 0.000 2.168 1069 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 1069 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 1069 G C -0.017 174.695 174.900 -0.314 0.000 0.997 1069 G CA -0.101 44.863 45.100 -0.227 0.000 0.708 1069 G HN 0.391 nan 8.290 nan 0.000 0.520 1070 I N 1.799 122.215 120.570 -0.257 0.000 2.441 1070 I HA 0.243 4.413 4.170 -0.000 0.000 0.287 1070 I C 0.966 176.968 176.117 -0.190 0.000 1.049 1070 I CA -0.975 60.194 61.300 -0.218 0.000 1.381 1070 I CB 0.508 38.456 38.000 -0.086 0.000 1.409 1070 I HN 0.064 nan 8.210 nan 0.000 0.523 1071 H N 4.698 123.768 119.070 0.000 0.000 2.690 1071 H HA 0.510 5.065 4.556 -0.000 0.000 0.365 1071 H C -0.142 175.198 175.328 0.020 0.000 1.142 1071 H CA -0.359 55.694 56.048 0.009 0.000 1.417 1071 H CB 1.248 31.016 29.762 0.010 0.000 1.446 1071 H HN 0.687 nan 8.280 nan 0.000 0.599 1072 A N 2.355 125.270 122.820 0.159 0.000 2.398 1072 A HA 0.468 4.787 4.320 -0.000 0.000 0.301 1072 A C -0.875 176.755 177.584 0.077 0.000 1.041 1072 A CA -0.640 51.456 52.037 0.099 0.000 0.711 1072 A CB 1.193 20.244 19.000 0.085 0.000 1.240 1072 A HN 0.402 nan 8.150 nan 0.000 0.420 1073 V N 3.540 123.485 119.914 0.052 0.000 2.304 1073 V HA 0.345 4.465 4.120 -0.000 0.000 0.278 1073 V C -0.312 175.779 176.094 -0.004 0.000 1.018 1073 V CA -0.452 61.877 62.300 0.049 0.000 0.814 1073 V CB 1.019 32.846 31.823 0.007 0.000 1.021 1073 V HN 0.643 nan 8.190 nan 0.000 0.440 1074 V N 3.737 123.652 119.914 0.002 0.000 2.394 1074 V HA 0.565 4.685 4.120 -0.000 0.000 0.282 1074 V C 1.200 177.204 176.094 -0.150 0.000 1.031 1074 V CA 0.273 62.511 62.300 -0.104 0.000 0.881 1074 V CB 1.329 33.120 31.823 -0.053 0.000 0.982 1074 V HN 0.825 nan 8.190 nan 0.000 0.451 1075 G N 2.358 110.844 108.800 -0.523 0.000 2.850 1075 G HA2 0.041 4.001 3.960 -0.000 0.000 0.211 1075 G HA3 0.041 4.001 3.960 -0.000 0.000 0.211 1075 G C 0.603 175.301 174.900 -0.337 0.000 1.124 1075 G CA 0.050 44.809 45.100 -0.568 0.000 0.769 1075 G HN 0.615 nan 8.290 nan 0.000 0.535 1076 T N 2.882 117.290 114.554 -0.243 0.000 2.831 1076 T HA 0.323 4.673 4.350 -0.000 0.000 0.291 1076 T C 1.081 175.844 174.700 0.104 0.000 0.981 1076 T CA 0.469 62.561 62.100 -0.013 0.000 1.174 1076 T CB 0.796 69.695 68.868 0.052 0.000 0.929 1076 T HN 0.356 nan 8.240 nan 0.000 0.532 1077 T N 0.383 114.964 114.554 0.046 0.000 2.753 1077 T HA 0.504 4.854 4.350 -0.000 0.000 0.309 1077 T C 1.369 176.083 174.700 0.024 0.000 1.043 1077 T CA -0.259 61.876 62.100 0.059 0.000 0.964 1077 T CB 0.183 69.045 68.868 -0.010 0.000 1.206 1077 T HN 1.204 nan 8.240 nan 0.000 0.528 1078 G N -0.378 108.414 108.800 -0.014 0.000 2.171 1078 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.238 1078 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.238 1078 G C -0.256 174.517 174.900 -0.212 0.000 1.039 1078 G CA -0.478 44.554 45.100 -0.113 0.000 0.759 1078 G HN 0.624 nan 8.290 nan 0.000 0.501 1079 F N 2.552 122.342 119.950 -0.267 0.000 2.375 1079 F HA 0.495 5.022 4.527 -0.000 0.000 0.362 1079 F C 1.406 176.903 175.800 -0.506 0.000 1.129 1079 F CA 0.441 58.128 58.000 -0.521 0.000 1.154 1079 F CB 1.070 39.578 39.000 -0.820 0.000 1.205 1079 F HN 0.229 nan 8.300 nan 0.000 0.513 1080 T N 0.160 114.524 114.554 -0.317 0.000 2.927 1080 T HA 0.560 4.910 4.350 -0.000 0.000 0.281 1080 T C 1.270 175.933 174.700 -0.062 0.000 0.998 1080 T CA -0.377 61.638 62.100 -0.141 0.000 1.019 1080 T CB 1.699 70.499 68.868 -0.114 0.000 1.061 1080 T HN 0.538 nan 8.240 nan 0.000 0.518 1081 A N 1.481 124.355 122.820 0.091 0.000 1.884 1081 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 1081 A C 2.328 179.980 177.584 0.112 0.000 1.197 1081 A CA 1.940 54.085 52.037 0.180 0.000 0.637 1081 A CB -0.990 18.077 19.000 0.111 0.000 0.827 1081 A HN 0.985 nan 8.150 nan 0.000 0.450 1082 E N 0.360 120.570 120.200 0.016 0.000 2.058 1082 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 1082 E C 2.072 178.639 176.600 -0.055 0.000 0.997 1082 E CA 1.536 57.919 56.400 -0.028 0.000 0.801 1082 E CB -0.610 29.054 29.700 -0.061 0.000 0.746 1082 E HN 0.690 nan 8.360 nan 0.000 0.450 1083 R N -0.082 120.354 120.500 -0.107 0.000 2.083 1083 R HA -0.043 4.297 4.340 -0.000 0.000 0.237 1083 R C 2.568 178.879 176.300 0.017 0.000 1.137 1083 R CA 1.748 57.751 56.100 -0.162 0.000 0.951 1083 R CB -0.490 29.580 30.300 -0.383 0.000 0.851 1083 R HN 0.190 nan 8.270 nan 0.000 0.434 1084 F N 0.722 120.751 119.950 0.132 0.000 2.069 1084 F HA -0.315 4.212 4.527 -0.000 0.000 0.298 1084 F C 2.926 178.762 175.800 0.060 0.000 1.113 1084 F CA 1.353 59.445 58.000 0.154 0.000 1.214 1084 F CB -0.207 38.862 39.000 0.115 0.000 0.978 1084 F HN 0.113 nan 8.300 nan 0.000 0.474 1085 Q N 0.754 120.679 119.800 0.209 0.000 2.077 1085 Q HA -0.305 4.035 4.340 -0.000 0.000 0.206 1085 Q C 2.163 178.158 176.000 -0.008 0.000 0.989 1085 Q CA 2.209 58.057 55.803 0.076 0.000 0.853 1085 Q CB -0.441 28.313 28.738 0.028 0.000 0.907 1085 Q HN 0.478 nan 8.270 nan 0.000 0.418 1086 Q N -0.684 119.059 119.800 -0.095 0.000 2.030 1086 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 1086 Q C 2.012 177.829 176.000 -0.306 0.000 0.986 1086 Q CA 2.223 57.829 55.803 -0.328 0.000 0.843 1086 Q CB -0.070 28.376 28.738 -0.487 0.000 0.904 1086 Q HN 0.420 nan 8.270 nan 0.000 0.420 1087 V N 1.501 121.421 119.914 0.010 0.000 2.490 1087 V HA -0.229 3.891 4.120 -0.000 0.000 0.250 1087 V C 2.328 178.589 176.094 0.278 0.000 1.061 1087 V CA 1.787 64.305 62.300 0.362 0.000 1.064 1087 V CB -0.683 31.423 31.823 0.472 0.000 0.670 1087 V HN 0.369 nan 8.190 nan 0.000 0.461 1088 E N 0.883 121.183 120.200 0.167 0.000 2.033 1088 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 1088 E C 2.485 179.151 176.600 0.110 0.000 1.011 1088 E CA 2.075 58.546 56.400 0.119 0.000 0.815 1088 E CB -0.412 29.332 29.700 0.073 0.000 0.755 1088 E HN 0.678 nan 8.360 nan 0.000 0.451 1089 S N 0.415 116.152 115.700 0.063 0.000 2.368 1089 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 1089 S C 1.655 176.352 174.600 0.161 0.000 1.030 1089 S CA 0.887 59.121 58.200 0.058 0.000 0.999 1089 S CB -0.485 62.700 63.200 -0.025 0.000 0.844 1089 S HN 0.339 nan 8.310 nan 0.000 0.459 1090 W N 1.882 123.206 121.300 0.040 0.000 2.308 1090 W HA -0.076 4.584 4.660 -0.000 0.000 0.301 1090 W C 1.902 178.437 176.519 0.027 0.000 1.220 1090 W CA 0.706 58.072 57.345 0.035 0.000 1.240 1090 W CB -1.011 28.478 29.460 0.048 0.000 1.142 1090 W HN 0.314 nan 8.180 nan 0.000 0.521 1091 L N -1.270 120.112 121.223 0.266 0.000 2.307 1091 L HA -0.115 4.225 4.340 -0.000 0.000 0.211 1091 L C 2.163 179.095 176.870 0.103 0.000 1.099 1091 L CA 0.252 55.181 54.840 0.148 0.000 0.816 1091 L CB -1.007 41.133 42.059 0.135 0.000 0.952 1091 L HN -0.339 nan 8.230 nan 0.000 0.455 1092 V N 0.354 120.330 119.914 0.104 0.000 2.568 1092 V HA -0.268 3.852 4.120 -0.000 0.000 0.253 1092 V C 2.532 178.662 176.094 0.061 0.000 1.072 1092 V CA 1.779 64.120 62.300 0.069 0.000 1.084 1092 V CB -0.940 30.919 31.823 0.059 0.000 0.676 1092 V HN 0.491 nan 8.190 nan 0.000 0.469 1093 A N -1.768 121.098 122.820 0.077 0.000 2.178 1093 A HA 0.076 4.396 4.320 -0.000 0.000 0.211 1093 A C 1.510 179.116 177.584 0.038 0.000 1.157 1093 A CA 0.614 52.686 52.037 0.059 0.000 0.780 1093 A CB 0.080 19.128 19.000 0.080 0.000 0.828 1093 A HN 0.280 nan 8.150 nan 0.000 0.476 1094 K N 0.566 120.989 120.400 0.038 0.000 3.207 1094 K HA 0.238 4.558 4.320 -0.000 0.000 0.166 1094 K C -3.016 173.595 176.600 0.018 0.000 1.079 1094 K CA -1.791 54.502 56.287 0.010 0.000 0.818 1094 K CB 1.343 33.833 32.500 -0.018 0.000 0.967 1094 K HN 0.272 nan 8.250 nan 0.000 0.594 1095 P HA 0.018 nan 4.420 nan 0.000 0.285 1095 P C 0.248 177.567 177.300 0.031 0.000 1.282 1095 P CA 0.107 63.227 63.100 0.034 0.000 0.778 1095 P CB 0.620 32.339 31.700 0.030 0.000 1.222 1096 N N -3.694 115.034 118.700 0.047 0.000 2.955 1096 N HA -0.115 4.625 4.740 -0.000 0.000 0.230 1096 N C -0.682 174.899 175.510 0.118 0.000 0.891 1096 N CA 1.127 54.214 53.050 0.063 0.000 1.002 1096 N CB -1.038 37.468 38.487 0.032 0.000 1.063 1096 N HN 0.445 nan 8.380 nan 0.000 0.601 1097 T N 0.663 115.274 114.554 0.095 0.000 2.824 1097 T HA 0.509 4.859 4.350 -0.000 0.000 0.280 1097 T C -0.315 174.519 174.700 0.224 0.000 0.995 1097 T CA -0.233 61.933 62.100 0.111 0.000 1.009 1097 T CB 2.006 70.855 68.868 -0.032 0.000 0.955 1097 T HN 0.039 nan 8.240 nan 0.000 0.452 1098 S N 1.721 117.707 115.700 0.476 0.000 2.501 1098 S HA 0.746 5.216 4.470 -0.000 0.000 0.301 1098 S C -0.748 173.975 174.600 0.205 0.000 1.096 1098 S CA -0.718 57.620 58.200 0.231 0.000 1.063 1098 S CB 1.555 64.762 63.200 0.011 0.000 1.042 1098 S HN 0.487 nan 8.310 nan 0.000 0.494 1099 V N 3.295 123.275 119.914 0.111 0.000 2.612 1099 V HA 0.478 4.598 4.120 -0.000 0.000 0.301 1099 V C -0.980 175.144 176.094 0.050 0.000 1.059 1099 V CA -0.564 61.792 62.300 0.094 0.000 0.886 1099 V CB 1.704 33.594 31.823 0.112 0.000 1.007 1099 V HN 0.795 nan 8.190 nan 0.000 0.426 1100 L N 6.461 127.709 121.223 0.042 0.000 2.333 1100 L HA 0.730 5.070 4.340 -0.000 0.000 0.280 1100 L C -1.127 175.740 176.870 -0.005 0.000 1.004 1100 L CA -0.268 54.583 54.840 0.018 0.000 0.820 1100 L CB 1.424 43.514 42.059 0.052 0.000 1.247 1100 L HN 0.589 nan 8.230 nan 0.000 0.416 1101 I N 4.976 125.489 120.570 -0.095 0.000 2.465 1101 I HA 0.726 4.896 4.170 -0.000 0.000 0.291 1101 I C -0.435 175.535 176.117 -0.245 0.000 1.014 1101 I CA -0.458 60.715 61.300 -0.212 0.000 1.093 1101 I CB 1.995 39.777 38.000 -0.363 0.000 1.267 1101 I HN 0.689 nan 8.210 nan 0.000 0.431 1102 A N 7.730 130.335 122.820 -0.358 0.000 2.427 1102 A HA 0.689 5.009 4.320 -0.000 0.000 0.298 1102 A C -2.210 175.112 177.584 -0.437 0.000 1.036 1102 A CA -1.190 50.539 52.037 -0.514 0.000 0.701 1102 A CB 1.377 19.779 19.000 -0.997 0.000 1.250 1102 A HN 0.542 nan 8.150 nan 0.000 0.412 1103 P HA -0.039 nan 4.420 nan 0.000 0.226 1103 P C -0.125 177.083 177.300 -0.152 0.000 1.153 1103 P CA 0.885 63.896 63.100 -0.147 0.000 0.777 1103 P CB 0.308 31.965 31.700 -0.071 0.000 0.794 1104 N N -1.201 117.349 118.700 -0.250 0.000 2.493 1104 N HA 0.129 4.869 4.740 -0.000 0.000 0.279 1104 N C -0.794 174.602 175.510 -0.191 0.000 1.082 1104 N CA -0.437 52.541 53.050 -0.121 0.000 0.963 1104 N CB 0.653 39.139 38.487 -0.002 0.000 1.627 1104 N HN -0.269 nan 8.380 nan 0.000 0.499 1105 F N 0.777 120.836 119.950 0.181 0.000 2.727 1105 F HA 0.376 4.903 4.527 -0.000 0.000 0.302 1105 F C 1.515 177.473 175.800 0.263 0.000 1.097 1105 F CA -0.156 57.977 58.000 0.221 0.000 1.330 1105 F CB 0.527 39.693 39.000 0.276 0.000 1.084 1105 F HN 0.439 nan 8.300 nan 0.000 0.578 1106 A N 0.761 123.859 122.820 0.462 0.000 2.409 1106 A HA 0.200 4.520 4.320 -0.000 0.000 0.267 1106 A C 1.306 178.912 177.584 0.038 0.000 1.127 1106 A CA -0.287 51.890 52.037 0.234 0.000 0.795 1106 A CB 0.048 19.181 19.000 0.222 0.000 1.061 1106 A HN 0.361 nan 8.150 nan 0.000 0.502 1107 I N 3.465 124.058 120.570 0.038 0.000 2.226 1107 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 1107 I C 2.152 178.212 176.117 -0.096 0.000 1.100 1107 I CA 2.461 63.749 61.300 -0.020 0.000 1.374 1107 I CB -0.527 37.480 38.000 0.010 0.000 1.057 1107 I HN 0.644 nan 8.210 nan 0.000 0.413 1108 G N -0.124 108.632 108.800 -0.073 0.000 2.442 1108 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 1108 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 1108 G C 1.724 176.406 174.900 -0.363 0.000 1.141 1108 G CA 0.816 45.878 45.100 -0.064 0.000 0.763 1108 G HN 0.624 nan 8.290 nan 0.000 0.554 1109 A N 0.178 122.526 122.820 -0.787 0.000 1.873 1109 A HA 0.098 4.417 4.320 -0.000 0.000 0.215 1109 A C 2.606 180.031 177.584 -0.266 0.000 1.186 1109 A CA 1.783 53.465 52.037 -0.591 0.000 0.616 1109 A CB -0.653 18.058 19.000 -0.482 0.000 0.823 1109 A HN 0.259 nan 8.150 nan 0.000 0.442 1110 V N 0.252 120.032 119.914 -0.223 0.000 2.332 1110 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 1110 V C 2.551 178.504 176.094 -0.234 0.000 1.055 1110 V CA 1.959 64.148 62.300 -0.186 0.000 1.038 1110 V CB -0.830 30.895 31.823 -0.163 0.000 0.651 1110 V HN 0.554 nan 8.190 nan 0.000 0.450 1111 L N -0.329 120.716 121.223 -0.297 0.000 2.083 1111 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 1111 L C 2.650 179.135 176.870 -0.641 0.000 1.083 1111 L CA 1.490 56.010 54.840 -0.534 0.000 0.752 1111 L CB -0.569 41.216 42.059 -0.457 0.000 0.899 1111 L HN 0.312 nan 8.230 nan 0.000 0.433 1112 S N -0.188 115.345 115.700 -0.277 0.000 2.359 1112 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 1112 S C 1.973 176.560 174.600 -0.022 0.000 1.035 1112 S CA 1.476 59.639 58.200 -0.062 0.000 1.018 1112 S CB -0.183 63.031 63.200 0.024 0.000 0.876 1112 S HN 0.356 nan 8.310 nan 0.000 0.448 1113 M N 0.242 119.807 119.600 -0.059 0.000 2.229 1113 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 1113 M C 2.153 178.458 176.300 0.008 0.000 1.063 1113 M CA 1.518 56.815 55.300 -0.005 0.000 1.114 1113 M CB -0.796 31.786 32.600 -0.029 0.000 1.387 1113 M HN 0.356 nan 8.290 nan 0.000 0.420 1114 H N 0.670 119.614 119.070 -0.210 0.000 2.326 1114 H HA -0.064 4.492 4.556 -0.000 0.000 0.301 1114 H C 1.694 177.010 175.328 -0.020 0.000 1.081 1114 H CA 1.990 57.904 56.048 -0.222 0.000 1.334 1114 H CB -0.324 29.181 29.762 -0.429 0.000 1.385 1114 H HN 0.322 nan 8.280 nan 0.000 0.504 1115 F N -0.264 119.694 119.950 0.014 0.000 2.186 1115 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 1115 F C 2.817 178.636 175.800 0.031 0.000 1.090 1115 F CA 0.173 58.165 58.000 -0.014 0.000 1.307 1115 F CB -0.325 38.711 39.000 0.060 0.000 1.019 1115 F HN 0.306 nan 8.300 nan 0.000 0.489 1116 A N 0.420 123.419 122.820 0.299 0.000 1.908 1116 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 1116 A C 2.254 179.989 177.584 0.252 0.000 1.181 1116 A CA 1.572 53.836 52.037 0.379 0.000 0.627 1116 A CB -0.628 18.567 19.000 0.324 0.000 0.818 1116 A HN 0.173 nan 8.150 nan 0.000 0.445 1117 K N -0.504 119.979 120.400 0.138 0.000 2.063 1117 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 1117 K C 2.255 178.895 176.600 0.067 0.000 1.048 1117 K CA 1.929 58.267 56.287 0.085 0.000 0.928 1117 K CB -0.256 32.261 32.500 0.028 0.000 0.713 1117 K HN 0.724 nan 8.250 nan 0.000 0.442 1118 Q N -0.847 118.982 119.800 0.049 0.000 2.172 1118 Q HA -0.045 4.295 4.340 -0.000 0.000 0.200 1118 Q C 1.842 177.932 176.000 0.151 0.000 0.964 1118 Q CA 1.205 57.059 55.803 0.084 0.000 0.855 1118 Q CB 0.048 28.822 28.738 0.059 0.000 0.918 1118 Q HN 0.265 nan 8.270 nan 0.000 0.444 1119 A N 0.744 123.584 122.820 0.034 0.000 2.081 1119 A HA 0.241 4.561 4.320 -0.000 0.000 0.214 1119 A C 2.232 179.751 177.584 -0.109 0.000 1.158 1119 A CA 0.779 52.794 52.037 -0.037 0.000 0.724 1119 A CB -0.318 18.446 19.000 -0.394 0.000 0.826 1119 A HN 0.318 nan 8.150 nan 0.000 0.463 1120 A N 0.908 123.653 122.820 -0.125 0.000 1.884 1120 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 1120 A C 2.200 179.857 177.584 0.121 0.000 1.197 1120 A CA 1.792 53.890 52.037 0.101 0.000 0.637 1120 A CB -0.583 18.544 19.000 0.211 0.000 0.827 1120 A HN 0.510 nan 8.150 nan 0.000 0.450 1121 R N -1.719 118.771 120.500 -0.016 0.000 2.152 1121 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 1121 R C 1.418 177.542 176.300 -0.293 0.000 1.117 1121 R CA 1.386 57.372 56.100 -0.190 0.000 0.981 1121 R CB -0.460 29.616 30.300 -0.374 0.000 0.870 1121 R HN 0.643 nan 8.270 nan 0.000 0.451 1122 F N -0.727 119.145 119.950 -0.130 0.000 2.811 1122 F HA 0.116 4.643 4.527 -0.000 0.000 0.301 1122 F C 0.370 175.776 175.800 -0.656 0.000 1.151 1122 F CA 0.307 58.072 58.000 -0.392 0.000 1.412 1122 F CB 0.140 38.805 39.000 -0.558 0.000 1.113 1122 F HN -0.186 nan 8.300 nan 0.000 0.579 1123 F N -0.838 119.180 119.950 0.113 0.000 2.593 1123 F HA 0.307 4.834 4.527 0.000 0.000 0.320 1123 F C 0.698 176.572 175.800 0.123 0.000 1.060 1123 F CA -1.245 56.838 58.000 0.138 0.000 0.940 1123 F CB 1.143 40.274 39.000 0.219 0.000 1.268 1123 F HN -0.299 nan 8.300 nan 0.000 0.475 1124 D N -0.329 120.256 120.400 0.309 0.000 2.162 1124 D HA 0.029 4.669 4.640 -0.000 0.000 0.205 1124 D C -0.036 176.381 176.300 0.195 0.000 0.964 1124 D CA 1.106 55.221 54.000 0.191 0.000 0.847 1124 D CB 0.103 40.988 40.800 0.142 0.000 0.988 1124 D HN 0.221 nan 8.370 nan 0.000 0.480 1125 S N -0.551 115.286 115.700 0.228 0.000 2.537 1125 S HA 0.814 5.284 4.470 -0.000 0.000 0.301 1125 S C -0.645 174.051 174.600 0.161 0.000 1.092 1125 S CA -0.876 57.418 58.200 0.158 0.000 1.048 1125 S CB 2.127 65.391 63.200 0.106 0.000 1.053 1125 S HN 0.252 nan 8.310 nan 0.000 0.501 1126 A N 2.114 124.971 122.820 0.062 0.000 2.465 1126 A HA 0.733 5.053 4.320 -0.000 0.000 0.292 1126 A C -1.019 176.498 177.584 -0.113 0.000 1.041 1126 A CA -0.679 51.303 52.037 -0.092 0.000 0.718 1126 A CB 1.216 20.223 19.000 0.011 0.000 1.266 1126 A HN 0.723 nan 8.150 nan 0.000 0.403 1127 E N 0.560 120.647 120.200 -0.189 0.000 2.408 1127 E HA 0.602 4.952 4.350 -0.000 0.000 0.275 1127 E C -1.516 175.014 176.600 -0.117 0.000 0.935 1127 E CA -0.883 55.463 56.400 -0.090 0.000 0.775 1127 E CB 2.753 32.461 29.700 0.013 0.000 1.277 1127 E HN 0.410 nan 8.360 nan 0.000 0.455 1128 V N 2.740 122.630 119.914 -0.040 0.000 2.487 1128 V HA 0.479 4.599 4.120 -0.000 0.000 0.298 1128 V C -0.379 175.758 176.094 0.071 0.000 1.028 1128 V CA -0.621 61.666 62.300 -0.021 0.000 0.860 1128 V CB 1.437 33.243 31.823 -0.028 0.000 0.991 1128 V HN 0.523 nan 8.190 nan 0.000 0.427 1129 I N 4.355 124.967 120.570 0.070 0.000 2.389 1129 I HA 0.519 4.689 4.170 -0.000 0.000 0.288 1129 I C -0.246 175.929 176.117 0.096 0.000 0.999 1129 I CA -0.338 61.026 61.300 0.106 0.000 1.129 1129 I CB 1.776 39.810 38.000 0.056 0.000 1.288 1129 I HN 0.648 nan 8.210 nan 0.000 0.444 1130 E N 8.131 128.405 120.200 0.124 0.000 2.222 1130 E HA 0.574 4.924 4.350 -0.000 0.000 0.267 1130 E C -2.062 174.647 176.600 0.182 0.000 0.884 1130 E CA -0.703 55.798 56.400 0.169 0.000 0.764 1130 E CB 2.197 32.016 29.700 0.199 0.000 1.169 1130 E HN 0.445 nan 8.360 nan 0.000 0.413 1131 L N 4.066 125.385 121.223 0.159 0.000 2.409 1131 L HA 0.492 4.832 4.340 -0.000 0.000 0.272 1131 L C -0.768 176.121 176.870 0.032 0.000 0.980 1131 L CA -0.515 54.395 54.840 0.116 0.000 0.826 1131 L CB 1.764 43.837 42.059 0.024 0.000 1.268 1131 L HN 0.569 nan 8.230 nan 0.000 0.407 1132 H N -1.335 117.780 119.070 0.074 0.000 2.949 1132 H HA 0.560 5.116 4.556 -0.000 0.000 0.356 1132 H C -0.735 174.578 175.328 -0.025 0.000 1.212 1132 H CA -0.937 55.124 56.048 0.022 0.000 1.136 1132 H CB 1.172 30.843 29.762 -0.152 0.000 1.869 1132 H HN 0.726 nan 8.280 nan 0.000 0.556 1133 H N -0.108 119.115 119.070 0.255 0.000 2.852 1133 H HA 0.083 4.639 4.556 -0.000 0.000 0.362 1133 H C -2.023 173.343 175.328 0.062 0.000 1.122 1133 H CA -1.703 54.439 56.048 0.156 0.000 1.419 1133 H CB 0.145 30.048 29.762 0.235 0.000 1.401 1133 H HN 0.364 nan 8.280 nan 0.000 0.609 1134 P HA -0.069 nan 4.420 nan 0.000 0.258 1134 P C -0.107 177.087 177.300 -0.176 0.000 1.319 1134 P CA 0.828 63.846 63.100 -0.137 0.000 0.785 1134 P CB 0.070 31.659 31.700 -0.184 0.000 1.252 1135 H N -1.628 117.678 119.070 0.394 0.000 2.652 1135 H HA 0.227 4.783 4.556 -0.000 0.000 0.274 1135 H C 0.782 176.285 175.328 0.290 0.000 1.021 1135 H CA -0.287 55.969 56.048 0.347 0.000 1.187 1135 H CB 0.688 30.641 29.762 0.319 0.000 1.505 1135 H HN 0.172 nan 8.280 nan 0.000 0.530 1136 K N 1.400 121.888 120.400 0.148 0.000 2.368 1136 K HA 0.243 4.563 4.320 -0.000 0.000 0.282 1136 K C 0.792 177.410 176.600 0.029 0.000 1.035 1136 K CA 0.054 56.346 56.287 0.009 0.000 0.973 1136 K CB 1.191 33.529 32.500 -0.269 0.000 0.957 1136 K HN 0.132 nan 8.250 nan 0.000 0.474 1137 A N 3.836 126.684 122.820 0.047 0.000 1.975 1137 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 1137 A C 0.247 177.826 177.584 -0.009 0.000 1.170 1137 A CA 0.859 52.922 52.037 0.042 0.000 0.656 1137 A CB -0.009 19.045 19.000 0.090 0.000 0.821 1137 A HN 0.829 nan 8.150 nan 0.000 0.449 1138 D N -0.536 119.833 120.400 -0.051 0.000 2.185 1138 D HA 0.580 5.220 4.640 -0.000 0.000 0.247 1138 D C -0.641 175.606 176.300 -0.088 0.000 1.027 1138 D CA -0.090 53.868 54.000 -0.069 0.000 0.861 1138 D CB 1.738 42.487 40.800 -0.086 0.000 1.202 1138 D HN 0.179 nan 8.370 nan 0.000 0.453 1139 A N 2.777 125.558 122.820 -0.064 0.000 2.408 1139 A HA 0.608 4.928 4.320 -0.000 0.000 0.295 1139 A C -2.477 175.081 177.584 -0.045 0.000 1.040 1139 A CA -1.003 50.999 52.037 -0.058 0.000 0.707 1139 A CB 1.274 20.252 19.000 -0.037 0.000 1.235 1139 A HN 0.602 nan 8.150 nan 0.000 0.418 1140 P HA 0.458 nan 4.420 nan 0.000 0.279 1140 P C 0.337 177.590 177.300 -0.078 0.000 1.276 1140 P CA -0.221 62.852 63.100 -0.047 0.000 0.801 1140 P CB 0.792 32.477 31.700 -0.026 0.000 1.127 1141 S N -1.296 114.341 115.700 -0.104 0.000 2.576 1141 S HA 0.139 4.609 4.470 -0.000 0.000 0.272 1141 S C 1.617 176.181 174.600 -0.059 0.000 1.352 1141 S CA 0.068 58.176 58.200 -0.154 0.000 1.021 1141 S CB -0.013 63.081 63.200 -0.176 0.000 0.887 1141 S HN 0.679 nan 8.310 nan 0.000 0.542 1142 G N 0.914 109.683 108.800 -0.053 0.000 2.418 1142 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.217 1142 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.217 1142 G C 1.270 176.173 174.900 0.005 0.000 1.158 1142 G CA 1.114 46.205 45.100 -0.016 0.000 0.771 1142 G HN 0.760 nan 8.290 nan 0.000 0.545 1143 T N 1.676 116.241 114.554 0.019 0.000 2.746 1143 T HA 0.017 4.367 4.350 -0.000 0.000 0.267 1143 T C 2.829 177.553 174.700 0.040 0.000 1.039 1143 T CA 1.503 63.623 62.100 0.034 0.000 1.142 1143 T CB -0.384 68.528 68.868 0.073 0.000 0.866 1143 T HN 0.373 nan 8.240 nan 0.000 0.444 1144 A N 1.608 124.459 122.820 0.052 0.000 1.883 1144 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 1144 A C 2.670 180.265 177.584 0.019 0.000 1.186 1144 A CA 1.956 54.020 52.037 0.044 0.000 0.624 1144 A CB -1.206 17.825 19.000 0.051 0.000 0.822 1144 A HN 0.512 nan 8.150 nan 0.000 0.444 1145 A N -0.896 121.929 122.820 0.009 0.000 1.933 1145 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 1145 A C 2.301 179.894 177.584 0.016 0.000 1.175 1145 A CA 1.602 53.642 52.037 0.005 0.000 0.628 1145 A CB -0.481 18.520 19.000 0.001 0.000 0.814 1145 A HN 0.475 nan 8.150 nan 0.000 0.444 1146 R N -0.911 119.602 120.500 0.021 0.000 2.090 1146 R HA -0.085 4.255 4.340 -0.000 0.000 0.228 1146 R C 2.157 178.471 176.300 0.023 0.000 1.110 1146 R CA 1.808 57.923 56.100 0.024 0.000 0.973 1146 R CB -0.534 29.777 30.300 0.018 0.000 0.869 1146 R HN 0.557 nan 8.270 nan 0.000 0.440 1147 T N 0.709 115.278 114.554 0.024 0.000 2.746 1147 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 1147 T C 1.829 176.550 174.700 0.035 0.000 1.039 1147 T CA 1.356 63.477 62.100 0.034 0.000 1.142 1147 T CB -0.222 68.667 68.868 0.035 0.000 0.866 1147 T HN 0.363 nan 8.240 nan 0.000 0.444 1148 A N 1.564 124.396 122.820 0.019 0.000 1.902 1148 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 1148 A C 2.273 179.873 177.584 0.026 0.000 1.181 1148 A CA 1.749 53.794 52.037 0.012 0.000 0.623 1148 A CB -0.483 18.513 19.000 -0.006 0.000 0.818 1148 A HN 0.423 nan 8.150 nan 0.000 0.443 1149 K N -0.532 119.883 120.400 0.026 0.000 2.057 1149 K HA -0.018 4.302 4.320 -0.000 0.000 0.207 1149 K C 1.883 178.506 176.600 0.038 0.000 1.049 1149 K CA 1.290 57.595 56.287 0.029 0.000 0.931 1149 K CB -0.314 32.202 32.500 0.028 0.000 0.714 1149 K HN 0.484 nan 8.250 nan 0.000 0.440 1150 L N 0.594 121.843 121.223 0.043 0.000 2.017 1150 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 1150 L C 2.304 179.220 176.870 0.076 0.000 1.073 1150 L CA 1.222 56.094 54.840 0.053 0.000 0.745 1150 L CB -0.397 41.695 42.059 0.054 0.000 0.894 1150 L HN 0.222 nan 8.230 nan 0.000 0.432 1151 I N -0.075 120.554 120.570 0.098 0.000 2.179 1151 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 1151 I C 2.775 178.957 176.117 0.108 0.000 1.088 1151 I CA 1.306 62.692 61.300 0.143 0.000 1.357 1151 I CB -0.438 37.658 38.000 0.160 0.000 1.051 1151 I HN 0.207 nan 8.210 nan 0.000 0.409 1152 A N -0.213 122.651 122.820 0.073 0.000 2.019 1152 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 1152 A C 2.329 179.940 177.584 0.046 0.000 1.164 1152 A CA 1.655 53.725 52.037 0.055 0.000 0.644 1152 A CB -0.507 18.515 19.000 0.037 0.000 0.805 1152 A HN 0.469 nan 8.150 nan 0.000 0.449 1153 E N -0.060 120.167 120.200 0.045 0.000 2.216 1153 E HA 0.008 4.358 4.350 -0.000 0.000 0.192 1153 E C 1.934 178.554 176.600 0.034 0.000 0.988 1153 E CA 0.849 57.270 56.400 0.034 0.000 0.834 1153 E CB -0.100 29.618 29.700 0.031 0.000 0.772 1153 E HN 0.507 nan 8.360 nan 0.000 0.479 1154 A N 0.743 123.591 122.820 0.047 0.000 2.072 1154 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 1154 A C 1.787 179.386 177.584 0.025 0.000 1.156 1154 A CA 0.328 52.388 52.037 0.039 0.000 0.701 1154 A CB -0.078 18.957 19.000 0.059 0.000 0.816 1154 A HN 0.048 nan 8.150 nan 0.000 0.458 1155 R N -0.762 119.762 120.500 0.040 0.000 2.586 1155 R HA 0.198 4.538 4.340 -0.000 0.000 0.306 1155 R C 1.175 177.486 176.300 0.018 0.000 1.079 1155 R CA -0.159 55.960 56.100 0.031 0.000 1.083 1155 R CB 0.101 30.439 30.300 0.064 0.000 1.306 1155 R HN 0.305 nan 8.270 nan 0.000 0.567 1156 K N 0.834 121.241 120.400 0.011 0.000 2.049 1156 K HA -0.192 4.128 4.320 -0.000 0.000 0.219 1156 K C 1.895 178.496 176.600 0.002 0.000 1.056 1156 K CA 2.234 58.525 56.287 0.007 0.000 0.946 1156 K CB -0.511 31.990 32.500 0.003 0.000 0.723 1156 K HN 0.373 nan 8.250 nan 0.000 0.453 1157 G N -0.281 108.515 108.800 -0.007 0.000 2.511 1157 G HA2 0.034 3.994 3.960 -0.000 0.000 0.217 1157 G HA3 0.034 3.994 3.960 -0.000 0.000 0.217 1157 G C 0.319 175.214 174.900 -0.008 0.000 1.133 1157 G CA 0.136 45.229 45.100 -0.010 0.000 0.792 1157 G HN 0.135 nan 8.290 nan 0.000 0.539 1158 L N 1.706 122.925 121.223 -0.007 0.000 2.464 1158 L HA 0.276 4.616 4.340 -0.000 0.000 0.264 1158 L C -1.393 175.484 176.870 0.012 0.000 1.199 1158 L CA -1.743 53.096 54.840 -0.001 0.000 0.818 1158 L CB 0.191 42.251 42.059 0.003 0.000 1.102 1158 L HN 0.029 nan 8.230 nan 0.000 0.473 1159 P HA 0.236 nan 4.420 nan 0.000 0.274 1159 P C -2.557 174.761 177.300 0.030 0.000 1.256 1159 P CA -1.037 62.075 63.100 0.019 0.000 0.795 1159 P CB -0.245 31.465 31.700 0.018 0.000 1.038 1160 P HA 0.124 nan 4.420 nan 0.000 0.274 1160 P C -0.344 176.981 177.300 0.043 0.000 1.256 1160 P CA -0.365 62.756 63.100 0.034 0.000 0.795 1160 P CB 0.324 32.039 31.700 0.025 0.000 1.038 1161 N N 1.421 120.150 118.700 0.048 0.000 2.412 1161 N HA 0.094 4.834 4.740 -0.000 0.000 0.254 1161 N C -1.834 173.703 175.510 0.045 0.000 1.232 1161 N CA -0.575 52.508 53.050 0.055 0.000 0.880 1161 N CB -0.859 37.659 38.487 0.051 0.000 1.076 1161 N HN 0.373 nan 8.380 nan 0.000 0.458 1162 P HA 0.215 nan 4.420 nan 0.000 0.281 1162 P C -0.992 176.330 177.300 0.037 0.000 1.252 1162 P CA -0.048 63.076 63.100 0.040 0.000 0.778 1162 P CB 0.880 32.606 31.700 0.043 0.000 0.895 1163 D N 2.108 122.526 120.400 0.030 0.000 2.613 1163 D HA 0.355 4.995 4.640 -0.000 0.000 0.230 1163 D C -0.096 176.218 176.300 0.022 0.000 1.365 1163 D CA -0.602 53.414 54.000 0.027 0.000 0.976 1163 D CB 1.348 42.165 40.800 0.028 0.000 1.415 1163 D HN 0.233 nan 8.370 nan 0.000 0.589 1164 A N 2.774 125.607 122.820 0.021 0.000 2.370 1164 A HA 0.212 4.532 4.320 -0.000 0.000 0.238 1164 A C 0.751 178.344 177.584 0.016 0.000 1.289 1164 A CA -0.077 51.970 52.037 0.017 0.000 0.885 1164 A CB -0.275 18.735 19.000 0.016 0.000 0.961 1164 A HN 0.431 nan 8.150 nan 0.000 0.499 1165 T N 1.652 116.216 114.554 0.017 0.000 2.758 1165 T HA 0.158 4.508 4.350 -0.000 0.000 0.281 1165 T C 1.569 176.277 174.700 0.013 0.000 0.963 1165 T CA 0.815 62.925 62.100 0.016 0.000 1.201 1165 T CB 0.542 69.422 68.868 0.020 0.000 0.906 1165 T HN 0.661 nan 8.240 nan 0.000 0.528 1166 S N 2.595 118.302 115.700 0.012 0.000 2.527 1166 S HA 0.076 4.546 4.470 -0.000 0.000 0.225 1166 S C 1.051 175.657 174.600 0.009 0.000 1.046 1166 S CA 0.039 58.245 58.200 0.010 0.000 0.929 1166 S CB -0.004 63.202 63.200 0.009 0.000 0.851 1166 S HN 0.708 nan 8.310 nan 0.000 0.565 1167 T N 0.704 115.263 114.554 0.009 0.000 2.855 1167 T HA 0.720 5.070 4.350 -0.000 0.000 0.281 1167 T C -0.506 174.200 174.700 0.010 0.000 1.007 1167 T CA -0.296 61.809 62.100 0.008 0.000 1.009 1167 T CB 1.553 70.425 68.868 0.007 0.000 0.983 1167 T HN 0.680 nan 8.240 nan 0.000 0.455 1168 S N 2.399 118.104 115.700 0.010 0.000 2.543 1168 S HA 0.495 4.965 4.470 -0.000 0.000 0.274 1168 S C -1.280 173.326 174.600 0.011 0.000 1.149 1168 S CA -1.052 57.155 58.200 0.012 0.000 0.866 1168 S CB 0.888 64.097 63.200 0.016 0.000 1.111 1168 S HN 0.815 nan 8.310 nan 0.000 0.457 1169 L N 2.741 123.971 121.223 0.012 0.000 2.397 1169 L HA 0.417 4.757 4.340 -0.000 0.000 0.271 1169 L C -2.064 174.815 176.870 0.014 0.000 1.148 1169 L CA -2.025 52.822 54.840 0.011 0.000 0.825 1169 L CB 0.601 42.666 42.059 0.010 0.000 1.117 1169 L HN 0.560 nan 8.230 nan 0.000 0.456 1170 P HA 0.012 nan 4.420 nan 0.000 0.260 1170 P C 0.654 177.963 177.300 0.015 0.000 1.185 1170 P CA 0.832 63.938 63.100 0.011 0.000 0.763 1170 P CB 0.540 32.245 31.700 0.008 0.000 0.776 1171 G N 3.272 112.083 108.800 0.017 0.000 2.176 1171 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.253 1171 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.253 1171 G C 1.188 176.117 174.900 0.047 0.000 0.979 1171 G CA 0.364 45.478 45.100 0.023 0.000 0.641 1171 G HN 0.652 nan 8.290 nan 0.000 0.530 1172 A N 0.003 122.851 122.820 0.048 0.000 1.972 1172 A HA 0.070 4.390 4.320 -0.000 0.000 0.219 1172 A C 2.100 179.760 177.584 0.126 0.000 1.169 1172 A CA 1.861 53.937 52.037 0.065 0.000 0.635 1172 A CB -0.245 18.779 19.000 0.039 0.000 0.810 1172 A HN 0.350 nan 8.150 nan 0.000 0.446 1173 R N -0.158 120.408 120.500 0.110 0.000 2.449 1173 R HA 0.251 4.591 4.340 -0.000 0.000 0.262 1173 R C 1.039 177.368 176.300 0.049 0.000 1.006 1173 R CA 0.542 56.732 56.100 0.150 0.000 1.104 1173 R CB -1.276 29.066 30.300 0.069 0.000 1.206 1173 R HN 0.653 nan 8.270 nan 0.000 0.538 1174 G N 0.784 109.596 108.800 0.020 0.000 2.749 1174 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.242 1174 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.242 1174 G C -0.318 174.481 174.900 -0.167 0.000 1.364 1174 G CA -0.302 44.666 45.100 -0.220 0.000 0.888 1174 G HN 0.486 nan 8.290 nan 0.000 0.566 1175 A N -0.242 122.472 122.820 -0.176 0.000 2.340 1175 A HA 0.570 4.890 4.320 -0.000 0.000 0.268 1175 A C 0.380 177.897 177.584 -0.111 0.000 1.100 1175 A CA 0.587 52.560 52.037 -0.107 0.000 0.803 1175 A CB 0.761 19.713 19.000 -0.080 0.000 1.043 1175 A HN 0.937 nan 8.150 nan 0.000 0.488 1176 D N 2.099 122.458 120.400 -0.069 0.000 2.359 1176 D HA 0.353 4.993 4.640 -0.000 0.000 0.230 1176 D C -1.229 175.047 176.300 -0.040 0.000 1.118 1176 D CA -0.046 53.922 54.000 -0.053 0.000 0.844 1176 D CB 1.107 41.887 40.800 -0.034 0.000 1.059 1176 D HN 0.091 nan 8.370 nan 0.000 0.493 1177 V N 4.535 124.426 119.914 -0.038 0.000 2.266 1177 V HA 0.115 4.235 4.120 -0.000 0.000 0.271 1177 V C -0.379 175.709 176.094 -0.010 0.000 1.032 1177 V CA -0.680 61.606 62.300 -0.023 0.000 0.806 1177 V CB 0.860 32.669 31.823 -0.024 0.000 1.052 1177 V HN 0.615 nan 8.190 nan 0.000 0.449 1178 D N 4.026 124.424 120.400 -0.005 0.000 2.746 1178 D HA -0.176 4.464 4.640 -0.000 0.000 0.236 1178 D C 1.359 177.662 176.300 0.006 0.000 1.129 1178 D CA 1.818 55.820 54.000 0.004 0.000 0.691 1178 D CB -1.249 39.558 40.800 0.011 0.000 1.077 1178 D HN 1.215 nan 8.370 nan 0.000 0.432 1179 G N -1.430 107.370 108.800 -0.001 0.000 2.179 1179 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.260 1179 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.260 1179 G C 0.183 175.083 174.900 0.000 0.000 0.977 1179 G CA 0.238 45.339 45.100 0.003 0.000 0.641 1179 G HN 0.472 nan 8.290 nan 0.000 0.533 1180 I N 1.629 122.193 120.570 -0.009 0.000 2.330 1180 I HA 0.350 4.520 4.170 -0.000 0.000 0.289 1180 I C -2.287 173.798 176.117 -0.054 0.000 1.001 1180 I CA -3.155 58.133 61.300 -0.019 0.000 1.193 1180 I CB 1.170 39.163 38.000 -0.012 0.000 1.345 1180 I HN -0.174 nan 8.210 nan 0.000 0.461 1181 P HA 0.181 nan 4.420 nan 0.000 0.271 1181 P C -0.657 176.509 177.300 -0.225 0.000 1.216 1181 P CA -0.053 62.952 63.100 -0.160 0.000 0.771 1181 P CB 0.829 32.458 31.700 -0.117 0.000 0.864 1182 V N 4.531 124.257 119.914 -0.313 0.000 2.531 1182 V HA 0.303 4.423 4.120 -0.000 0.000 0.301 1182 V C -0.233 175.649 176.094 -0.354 0.000 1.034 1182 V CA -0.579 61.579 62.300 -0.237 0.000 0.865 1182 V CB 1.377 33.136 31.823 -0.106 0.000 0.995 1182 V HN 0.582 nan 8.190 nan 0.000 0.424 1183 H N 3.204 122.272 119.070 -0.003 0.000 2.466 1183 H HA 0.718 5.274 4.556 -0.000 0.000 0.338 1183 H C -0.120 175.218 175.328 0.016 0.000 1.091 1183 H CA -0.376 55.673 56.048 0.002 0.000 1.207 1183 H CB 2.257 32.017 29.762 -0.003 0.000 1.466 1183 H HN 0.758 nan 8.280 nan 0.000 0.493 1184 A N 3.942 126.831 122.820 0.115 0.000 2.273 1184 A HA 0.473 4.793 4.320 -0.000 0.000 0.315 1184 A C -0.310 177.322 177.584 0.079 0.000 1.256 1184 A CA -0.628 51.461 52.037 0.086 0.000 0.851 1184 A CB 0.523 19.547 19.000 0.039 0.000 1.172 1184 A HN 0.424 nan 8.150 nan 0.000 0.508 1185 V N 4.124 124.090 119.914 0.087 0.000 2.398 1185 V HA 0.463 4.583 4.120 -0.000 0.000 0.286 1185 V C -0.145 175.984 176.094 0.059 0.000 1.026 1185 V CA -0.690 61.644 62.300 0.057 0.000 0.868 1185 V CB 1.391 33.237 31.823 0.038 0.000 0.982 1185 V HN 0.811 nan 8.190 nan 0.000 0.443 1186 R N 4.665 125.184 120.500 0.030 0.000 2.310 1186 R HA 0.592 4.932 4.340 -0.000 0.000 0.316 1186 R C -1.239 175.066 176.300 0.007 0.000 1.004 1186 R CA -0.467 55.644 56.100 0.017 0.000 0.900 1186 R CB 1.433 31.730 30.300 -0.005 0.000 1.152 1186 R HN 0.571 nan 8.270 nan 0.000 0.513 1187 L N 1.052 122.286 121.223 0.018 0.000 2.381 1187 L HA 0.648 4.988 4.340 -0.000 0.000 0.268 1187 L C -0.365 176.519 176.870 0.025 0.000 0.997 1187 L CA -0.571 54.274 54.840 0.009 0.000 0.818 1187 L CB 2.046 44.102 42.059 -0.005 0.000 1.310 1187 L HN 0.667 nan 8.230 nan 0.000 0.416 1188 A N 2.340 125.167 122.820 0.012 0.000 2.425 1188 A HA 0.522 4.842 4.320 -0.000 0.000 0.249 1188 A C 1.117 178.727 177.584 0.043 0.000 1.084 1188 A CA 0.588 52.641 52.037 0.028 0.000 0.781 1188 A CB -0.061 18.947 19.000 0.014 0.000 1.019 1188 A HN 1.626 nan 8.150 nan 0.000 0.490 1189 G N 0.658 109.502 108.800 0.074 0.000 2.213 1189 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.236 1189 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.236 1189 G C 0.131 175.086 174.900 0.092 0.000 0.991 1189 G CA 0.302 45.442 45.100 0.066 0.000 0.629 1189 G HN 0.730 nan 8.290 nan 0.000 0.517 1190 L N -0.217 121.083 121.223 0.129 0.000 2.400 1190 L HA 0.737 5.077 4.340 -0.000 0.000 0.264 1190 L C 1.486 178.551 176.870 0.324 0.000 1.061 1190 L CA -0.892 54.081 54.840 0.221 0.000 0.799 1190 L CB 1.575 43.719 42.059 0.141 0.000 1.240 1190 L HN -0.018 nan 8.230 nan 0.000 0.461 1191 V N -0.541 119.608 119.914 0.391 0.000 4.213 1191 V HA 0.467 4.587 4.120 -0.000 0.000 0.179 1191 V C -0.233 175.917 176.094 0.094 0.000 1.148 1191 V CA 0.250 62.690 62.300 0.232 0.000 1.346 1191 V CB 0.853 32.717 31.823 0.068 0.000 1.703 1191 V HN 0.725 nan 8.190 nan 0.000 0.525 1192 A N 0.566 123.145 122.820 -0.402 0.000 2.476 1192 A HA 0.761 5.081 4.320 -0.000 0.000 0.280 1192 A C -1.082 175.998 177.584 -0.839 0.000 1.081 1192 A CA -0.333 51.389 52.037 -0.526 0.000 0.753 1192 A CB 0.573 19.636 19.000 0.104 0.000 1.248 1192 A HN 0.634 nan 8.150 nan 0.000 0.424 1193 H N 0.894 119.730 119.070 -0.389 0.000 2.930 1193 H HA 0.614 5.170 4.556 -0.000 0.000 0.371 1193 H C -1.076 174.216 175.328 -0.060 0.000 1.169 1193 H CA -0.474 55.476 56.048 -0.164 0.000 1.157 1193 H CB 2.244 31.920 29.762 -0.143 0.000 1.789 1193 H HN 0.767 nan 8.280 nan 0.000 0.547 1194 Q N 1.202 121.093 119.800 0.152 0.000 2.377 1194 Q HA 0.350 4.690 4.340 -0.000 0.000 0.279 1194 Q C -1.598 174.473 176.000 0.117 0.000 1.049 1194 Q CA -0.559 55.331 55.803 0.146 0.000 0.825 1194 Q CB 3.161 32.002 28.738 0.172 0.000 1.401 1194 Q HN 0.711 nan 8.270 nan 0.000 0.404 1195 E N 1.761 122.007 120.200 0.078 0.000 2.263 1195 E HA 0.428 4.778 4.350 -0.000 0.000 0.268 1195 E C -1.661 174.938 176.600 -0.003 0.000 0.884 1195 E CA -0.587 55.839 56.400 0.042 0.000 0.766 1195 E CB 2.251 31.963 29.700 0.022 0.000 1.196 1195 E HN 0.373 nan 8.360 nan 0.000 0.416 1196 V N 4.987 124.883 119.914 -0.030 0.000 2.370 1196 V HA 0.380 4.500 4.120 -0.000 0.000 0.283 1196 V C -0.673 175.256 176.094 -0.274 0.000 1.023 1196 V CA -0.723 61.477 62.300 -0.167 0.000 0.857 1196 V CB 0.976 32.728 31.823 -0.119 0.000 0.985 1196 V HN 0.506 nan 8.190 nan 0.000 0.443 1197 L N 5.966 126.953 121.223 -0.394 0.000 2.313 1197 L HA 0.624 4.964 4.340 -0.000 0.000 0.283 1197 L C -0.661 175.871 176.870 -0.562 0.000 1.013 1197 L CA 0.162 54.794 54.840 -0.346 0.000 0.816 1197 L CB 1.262 43.219 42.059 -0.171 0.000 1.236 1197 L HN 0.417 nan 8.230 nan 0.000 0.419 1198 F N 1.022 120.806 119.950 -0.277 0.000 2.482 1198 F HA 0.797 5.324 4.527 -0.000 0.000 0.331 1198 F C 0.749 176.292 175.800 -0.428 0.000 1.115 1198 F CA -0.654 57.065 58.000 -0.468 0.000 0.955 1198 F CB 2.292 40.640 39.000 -1.086 0.000 1.136 1198 F HN 0.478 nan 8.300 nan 0.000 0.452 1199 G N 0.756 109.596 108.800 0.067 0.000 2.571 1199 G HA2 0.610 4.570 3.960 -0.000 0.000 0.304 1199 G HA3 0.610 4.570 3.960 -0.000 0.000 0.304 1199 G C -1.429 173.697 174.900 0.378 0.000 1.314 1199 G CA -0.617 44.590 45.100 0.179 0.000 0.975 1199 G HN 0.682 nan 8.290 nan 0.000 0.485 1200 T N -0.661 114.101 114.554 0.347 0.000 2.665 1200 T HA 0.378 4.728 4.350 -0.000 0.000 0.303 1200 T C -1.250 173.546 174.700 0.161 0.000 1.334 1200 T CA -0.545 61.716 62.100 0.268 0.000 1.011 1200 T CB 1.544 70.580 68.868 0.281 0.000 1.573 1200 T HN 0.317 nan 8.240 nan 0.000 0.492 1201 E N 0.968 121.232 120.200 0.106 0.000 2.734 1201 E HA 0.238 4.588 4.350 -0.000 0.000 0.235 1201 E C 1.254 177.897 176.600 0.071 0.000 1.107 1201 E CA 1.578 58.021 56.400 0.072 0.000 0.951 1201 E CB -0.313 29.415 29.700 0.046 0.000 0.955 1201 E HN 1.092 nan 8.360 nan 0.000 0.515 1202 G N 3.818 112.658 108.800 0.067 0.000 2.166 1202 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 1202 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 1202 G C 0.060 175.002 174.900 0.070 0.000 0.986 1202 G CA 0.974 46.109 45.100 0.058 0.000 0.683 1202 G HN 0.574 nan 8.290 nan 0.000 0.527 1203 E N -1.486 118.776 120.200 0.104 0.000 2.390 1203 E HA 0.702 5.052 4.350 -0.000 0.000 0.280 1203 E C -0.506 176.192 176.600 0.162 0.000 0.992 1203 E CA -0.500 55.974 56.400 0.124 0.000 0.790 1203 E CB 1.395 31.178 29.700 0.139 0.000 1.248 1203 E HN 0.666 nan 8.360 nan 0.000 0.447 1204 T N -0.391 114.230 114.554 0.112 0.000 2.896 1204 T HA 0.670 5.020 4.350 -0.000 0.000 0.297 1204 T C -1.242 173.462 174.700 0.008 0.000 1.108 1204 T CA -0.959 61.170 62.100 0.048 0.000 1.004 1204 T CB 1.574 70.450 68.868 0.014 0.000 1.159 1204 T HN 0.494 nan 8.240 nan 0.000 0.499 1205 L N 1.235 122.395 121.223 -0.106 0.000 2.409 1205 L HA 0.739 5.079 4.340 -0.000 0.000 0.272 1205 L C -0.872 175.998 176.870 0.000 0.000 0.980 1205 L CA -0.040 54.764 54.840 -0.061 0.000 0.826 1205 L CB 2.231 44.192 42.059 -0.163 0.000 1.268 1205 L HN 0.974 nan 8.230 nan 0.000 0.407 1206 T N 6.413 120.983 114.554 0.026 0.000 2.792 1206 T HA 0.613 4.963 4.350 -0.000 0.000 0.280 1206 T C -0.305 174.441 174.700 0.076 0.000 0.990 1206 T CA -0.052 62.067 62.100 0.031 0.000 0.960 1206 T CB 0.857 69.731 68.868 0.010 0.000 0.939 1206 T HN 0.422 nan 8.240 nan 0.000 0.439 1207 I N 3.457 124.093 120.570 0.110 0.000 2.359 1207 I HA 0.456 4.626 4.170 -0.000 0.000 0.284 1207 I C 0.249 176.448 176.117 0.138 0.000 1.018 1207 I CA -0.673 60.725 61.300 0.163 0.000 1.173 1207 I CB 1.029 39.185 38.000 0.259 0.000 1.326 1207 I HN 0.302 nan 8.210 nan 0.000 0.462 1208 R N 5.986 126.565 120.500 0.130 0.000 2.494 1208 R HA 0.434 4.774 4.340 -0.000 0.000 0.305 1208 R C -1.189 175.211 176.300 0.166 0.000 0.959 1208 R CA -0.546 55.628 56.100 0.123 0.000 0.864 1208 R CB 1.383 31.727 30.300 0.074 0.000 1.159 1208 R HN 0.639 nan 8.270 nan 0.000 0.446 1209 H N 3.668 122.785 119.070 0.077 0.000 2.495 1209 H HA 0.308 4.864 4.556 -0.000 0.000 0.348 1209 H C -1.446 173.920 175.328 0.062 0.000 1.113 1209 H CA -0.579 55.508 56.048 0.064 0.000 1.195 1209 H CB 1.785 31.580 29.762 0.055 0.000 1.521 1209 H HN 0.667 nan 8.280 nan 0.000 0.509 1210 D N 3.659 123.669 120.400 -0.650 0.000 2.549 1210 D HA 0.095 4.735 4.640 -0.000 0.000 0.251 1210 D C -0.779 175.126 176.300 -0.659 0.000 1.153 1210 D CA -0.423 53.312 54.000 -0.442 0.000 0.861 1210 D CB 2.096 42.866 40.800 -0.050 0.000 1.207 1210 D HN 0.335 nan 8.370 nan 0.000 0.543 1211 S N 2.410 117.701 115.700 -0.683 0.000 2.543 1211 S HA 0.153 4.623 4.470 -0.000 0.000 0.299 1211 S C 1.449 175.827 174.600 -0.371 0.000 1.125 1211 S CA -0.451 57.467 58.200 -0.470 0.000 1.098 1211 S CB 0.254 63.254 63.200 -0.332 0.000 1.063 1211 S HN 0.314 nan 8.310 nan 0.000 0.493 1212 L N 2.038 123.136 121.223 -0.208 0.000 2.313 1212 L HA 0.224 4.564 4.340 -0.000 0.000 0.214 1212 L C 0.766 177.588 176.870 -0.079 0.000 1.119 1212 L CA 0.993 55.790 54.840 -0.072 0.000 0.809 1212 L CB 0.042 42.082 42.059 -0.032 0.000 0.933 1212 L HN 0.411 nan 8.230 nan 0.000 0.449 1213 D N -2.162 118.153 120.400 -0.142 0.000 2.732 1213 D HA 0.245 4.885 4.640 -0.000 0.000 0.229 1213 D C 0.584 176.761 176.300 -0.205 0.000 1.152 1213 D CA -0.554 53.373 54.000 -0.122 0.000 0.854 1213 D CB 1.543 42.285 40.800 -0.097 0.000 1.590 1213 D HN -0.207 nan 8.370 nan 0.000 0.468 1214 R N 0.258 120.689 120.500 -0.115 0.000 2.285 1214 R HA -0.037 4.303 4.340 -0.000 0.000 0.213 1214 R C 1.517 177.744 176.300 -0.123 0.000 1.068 1214 R CA 1.340 57.396 56.100 -0.073 0.000 1.004 1214 R CB -0.177 30.169 30.300 0.077 0.000 0.873 1214 R HN 0.564 nan 8.270 nan 0.000 0.467 1215 T N -1.611 112.863 114.554 -0.134 0.000 3.007 1215 T HA -0.103 4.247 4.350 -0.000 0.000 0.270 1215 T C 1.937 176.548 174.700 -0.147 0.000 1.107 1215 T CA 1.200 63.239 62.100 -0.102 0.000 1.118 1215 T CB -0.127 68.695 68.868 -0.076 0.000 0.889 1215 T HN 0.231 nan 8.240 nan 0.000 0.506 1216 S N 0.704 116.221 115.700 -0.304 0.000 2.469 1216 S HA 0.013 4.483 4.470 -0.000 0.000 0.238 1216 S C 1.471 175.909 174.600 -0.270 0.000 0.998 1216 S CA 0.312 58.315 58.200 -0.329 0.000 0.957 1216 S CB -1.098 61.835 63.200 -0.445 0.000 0.764 1216 S HN 0.654 nan 8.310 nan 0.000 0.514 1217 F N 0.790 120.769 119.950 0.049 0.000 2.698 1217 F HA 0.218 4.745 4.527 -0.000 0.000 0.295 1217 F C 2.314 178.127 175.800 0.021 0.000 1.124 1217 F CA -0.182 57.874 58.000 0.094 0.000 1.426 1217 F CB -0.242 38.809 39.000 0.086 0.000 1.120 1217 F HN 0.051 nan 8.300 nan 0.000 0.583 1218 V N 1.430 121.403 119.914 0.099 0.000 2.231 1218 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 1218 V C -0.226 175.882 176.094 0.023 0.000 1.054 1218 V CA 2.187 64.501 62.300 0.024 0.000 1.015 1218 V CB -1.742 30.076 31.823 -0.008 0.000 0.638 1218 V HN 0.176 nan 8.190 nan 0.000 0.444 1219 P HA -0.180 nan 4.420 nan 0.000 0.216 1219 P C 1.686 179.027 177.300 0.068 0.000 1.157 1219 P CA 2.093 65.218 63.100 0.042 0.000 0.880 1219 P CB -0.379 31.346 31.700 0.043 0.000 0.791 1220 G N -0.752 108.130 108.800 0.137 0.000 2.418 1220 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 1220 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 1220 G C 1.631 176.606 174.900 0.125 0.000 1.158 1220 G CA 0.734 45.978 45.100 0.240 0.000 0.771 1220 G HN 0.152 nan 8.290 nan 0.000 0.545 1221 V N 1.119 120.938 119.914 -0.159 0.000 2.237 1221 V HA -0.138 3.982 4.120 -0.000 0.000 0.245 1221 V C 2.925 178.924 176.094 -0.158 0.000 1.046 1221 V CA 1.565 63.596 62.300 -0.449 0.000 1.007 1221 V CB -0.532 31.068 31.823 -0.372 0.000 0.638 1221 V HN 0.336 nan 8.190 nan 0.000 0.445 1222 L N -0.646 120.534 121.223 -0.071 0.000 2.079 1222 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 1222 L C 2.504 179.368 176.870 -0.009 0.000 1.081 1222 L CA 1.497 56.319 54.840 -0.030 0.000 0.752 1222 L CB -0.689 41.361 42.059 -0.015 0.000 0.896 1222 L HN 0.380 nan 8.230 nan 0.000 0.433 1223 L N 0.385 121.614 121.223 0.011 0.000 2.017 1223 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 1223 L C 2.641 179.529 176.870 0.029 0.000 1.073 1223 L CA 2.004 56.860 54.840 0.027 0.000 0.745 1223 L CB -0.501 41.589 42.059 0.051 0.000 0.894 1223 L HN 0.121 nan 8.230 nan 0.000 0.432 1224 A N -1.195 121.655 122.820 0.050 0.000 1.930 1224 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 1224 A C 2.249 179.841 177.584 0.014 0.000 1.175 1224 A CA 1.657 53.731 52.037 0.062 0.000 0.627 1224 A CB -1.001 18.096 19.000 0.162 0.000 0.815 1224 A HN 0.320 nan 8.150 nan 0.000 0.443 1225 V N -0.042 119.868 119.914 -0.007 0.000 2.295 1225 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 1225 V C 2.685 178.770 176.094 -0.015 0.000 1.049 1225 V CA 2.365 64.658 62.300 -0.011 0.000 1.024 1225 V CB -0.728 31.087 31.823 -0.013 0.000 0.648 1225 V HN 0.545 nan 8.190 nan 0.000 0.447 1226 R N -0.034 120.459 120.500 -0.011 0.000 2.075 1226 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 1226 R C 1.957 178.242 176.300 -0.026 0.000 1.126 1226 R CA 1.074 57.166 56.100 -0.014 0.000 0.963 1226 R CB -0.199 30.097 30.300 -0.006 0.000 0.858 1226 R HN 0.443 nan 8.270 nan 0.000 0.435 1227 R N 0.443 120.928 120.500 -0.024 0.000 2.480 1227 R HA 0.076 4.416 4.340 -0.000 0.000 0.277 1227 R C 1.329 177.593 176.300 -0.059 0.000 1.008 1227 R CA -0.060 56.019 56.100 -0.034 0.000 1.090 1227 R CB -0.001 30.288 30.300 -0.017 0.000 1.234 1227 R HN 0.148 nan 8.270 nan 0.000 0.549 1228 I N 1.985 122.504 120.570 -0.085 0.000 2.127 1228 I HA -0.256 3.914 4.170 -0.000 0.000 0.241 1228 I C 2.133 178.111 176.117 -0.232 0.000 1.075 1228 I CA 1.583 62.801 61.300 -0.137 0.000 1.334 1228 I CB -0.271 37.639 38.000 -0.151 0.000 1.040 1228 I HN 0.211 nan 8.210 nan 0.000 0.405 1229 A N -0.678 121.959 122.820 -0.305 0.000 2.125 1229 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 1229 A C 2.214 179.720 177.584 -0.130 0.000 1.156 1229 A CA 1.528 53.385 52.037 -0.300 0.000 0.671 1229 A CB -0.839 18.026 19.000 -0.225 0.000 0.794 1229 A HN 0.610 nan 8.150 nan 0.000 0.459 1230 E N -0.592 119.553 120.200 -0.093 0.000 2.118 1230 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 1230 E C 0.263 176.840 176.600 -0.039 0.000 0.992 1230 E CA 0.787 57.156 56.400 -0.051 0.000 0.804 1230 E CB 0.044 29.721 29.700 -0.038 0.000 0.741 1230 E HN 0.482 nan 8.360 nan 0.000 0.458 1231 R N 0.941 121.413 120.500 -0.046 0.000 2.358 1231 R HA 0.237 4.577 4.340 -0.000 0.000 0.309 1231 R C -2.478 173.811 176.300 -0.018 0.000 1.026 1231 R CA -1.759 54.325 56.100 -0.027 0.000 0.909 1231 R CB 1.499 31.784 30.300 -0.025 0.000 1.153 1231 R HN 0.039 nan 8.270 nan 0.000 0.515 1232 P HA 0.215 nan 4.420 nan 0.000 0.271 1232 P C 0.332 177.651 177.300 0.030 0.000 1.216 1232 P CA 0.423 63.539 63.100 0.027 0.000 0.776 1232 P CB 1.451 33.169 31.700 0.031 0.000 0.881 1233 G N 1.652 110.484 108.800 0.053 0.000 2.482 1233 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.214 1233 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.214 1233 G C -1.424 173.506 174.900 0.050 0.000 1.271 1233 G CA -0.149 44.982 45.100 0.052 0.000 0.944 1233 G HN 0.755 nan 8.290 nan 0.000 0.568 1234 L N 0.752 121.996 121.223 0.036 0.000 2.309 1234 L HA 0.847 5.187 4.340 -0.000 0.000 0.282 1234 L C 0.170 177.019 176.870 -0.036 0.000 1.036 1234 L CA 0.139 54.991 54.840 0.020 0.000 0.806 1234 L CB 1.962 44.045 42.059 0.040 0.000 1.220 1234 L HN 0.887 nan 8.230 nan 0.000 0.429 1235 T N 4.283 118.804 114.554 -0.055 0.000 2.879 1235 T HA 0.530 4.880 4.350 -0.000 0.000 0.290 1235 T C -0.941 173.672 174.700 -0.145 0.000 0.993 1235 T CA -0.441 61.604 62.100 -0.091 0.000 0.975 1235 T CB 1.565 70.399 68.868 -0.056 0.000 0.981 1235 T HN 0.348 nan 8.240 nan 0.000 0.439 1236 V N 3.185 122.971 119.914 -0.213 0.000 2.328 1236 V HA 0.831 4.951 4.120 -0.000 0.000 0.278 1236 V C 0.735 176.708 176.094 -0.203 0.000 1.021 1236 V CA 0.104 62.239 62.300 -0.274 0.000 0.838 1236 V CB 0.293 31.824 31.823 -0.486 0.000 0.999 1236 V HN 1.354 nan 8.190 nan 0.000 0.447 1237 G N 3.735 112.416 108.800 -0.199 0.000 2.603 1237 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.686 1237 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.686 1237 G C -0.431 174.369 174.900 -0.168 0.000 1.286 1237 G CA -0.360 44.622 45.100 -0.197 0.000 0.871 1237 G HN 0.550 nan 8.290 nan 0.000 0.568 1238 L N 0.416 121.540 121.223 -0.164 0.000 2.556 1238 L HA 0.332 4.672 4.340 -0.000 0.000 0.226 1238 L C 2.427 179.248 176.870 -0.083 0.000 1.089 1238 L CA 1.703 56.486 54.840 -0.095 0.000 0.864 1238 L CB -0.291 41.721 42.059 -0.078 0.000 1.067 1238 L HN 0.720 nan 8.230 nan 0.000 0.477 1239 E N 0.247 120.381 120.200 -0.110 0.000 2.108 1239 E HA -0.252 4.098 4.350 -0.000 0.000 0.203 1239 E C -0.663 175.886 176.600 -0.084 0.000 1.022 1239 E CA 2.080 58.409 56.400 -0.118 0.000 0.823 1239 E CB -1.817 27.813 29.700 -0.117 0.000 0.744 1239 E HN 0.344 nan 8.360 nan 0.000 0.456 1240 P HA -0.156 nan 4.420 nan 0.000 0.216 1240 P C 0.909 178.190 177.300 -0.033 0.000 1.150 1240 P CA 1.163 64.238 63.100 -0.043 0.000 0.843 1240 P CB 0.030 31.704 31.700 -0.043 0.000 0.787 1241 L N -2.571 118.634 121.223 -0.030 0.000 2.478 1241 L HA 0.035 4.375 4.340 -0.000 0.000 0.223 1241 L C 1.083 177.940 176.870 -0.023 0.000 1.140 1241 L CA 0.160 54.990 54.840 -0.017 0.000 0.842 1241 L CB -0.492 41.569 42.059 0.002 0.000 0.953 1241 L HN 0.002 nan 8.230 nan 0.000 0.452 1242 L N -0.558 120.638 121.223 -0.045 0.000 2.352 1242 L HA 0.207 4.547 4.340 -0.000 0.000 0.269 1242 L C 1.068 177.903 176.870 -0.058 0.000 1.034 1242 L CA -0.670 54.134 54.840 -0.059 0.000 0.806 1242 L CB 1.176 43.173 42.059 -0.102 0.000 1.244 1242 L HN -0.037 nan 8.230 nan 0.000 0.447 1243 D N 1.107 121.478 120.400 -0.048 0.000 2.123 1243 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 1243 D C 0.762 177.046 176.300 -0.027 0.000 0.992 1243 D CA 1.170 55.156 54.000 -0.022 0.000 0.833 1243 D CB -0.243 40.554 40.800 -0.006 0.000 0.954 1243 D HN 0.306 nan 8.370 nan 0.000 0.455 1244 L N 0.954 122.105 121.223 -0.120 0.000 2.492 1244 L HA 0.098 4.438 4.340 -0.000 0.000 0.280 1244 L C 1.117 177.906 176.870 -0.135 0.000 1.240 1244 L CA -0.194 54.506 54.840 -0.234 0.000 0.831 1244 L CB -0.061 41.538 42.059 -0.765 0.000 1.100 1244 L HN 0.092 nan 8.230 nan 0.000 0.505 1245 H N 0.000 119.055 119.070 -0.025 0.000 2.539 1245 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 1245 H CA 0.000 56.084 56.048 0.061 0.000 1.023 1245 H CB 0.000 29.830 29.762 0.113 0.000 1.292 1245 H HN 0.000 nan 8.280 nan 0.000 0.496