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 1dia_1_B DATA FIRST_RESID 1002 DATA SEQUENCE APAEILNGKE ISAQIRARLK NQVTQLKEQV PGFTPRLAIL QVGNRDDSNL DATA SEQUENCE YINVKLKAAE EIGIKATHIK LPRTTTESEV MKYITSLNED STVHGFLVQL DATA SEQUENCE PLDSENSINT EEVINAIAPE KDVDGLTSIN AGRLARGDLN DCFIPCTPKG DATA SEQUENCE CLELIKETGV PIAGRHAVVV GRSKIVGAPM HDLLLWNNAT VTTCHSKTAH DATA SEQUENCE LDEEVNKGDI LVVATGQPEM VKGEWIKPGA IVIDCGINYV PDDKKPNGRK DATA SEQUENCE VVGDVAYDEA KERASFITPV PGGVGPMTVA MLMQSTVESA KRFLE 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 1002 A HA 0.000 nan 4.320 nan 0.000 0.244 1002 A C 0.000 177.536 177.584 -0.080 0.000 1.274 1002 A CA 0.000 51.999 52.037 -0.062 0.000 0.836 1002 A CB 0.000 18.964 19.000 -0.059 0.000 0.831 1003 P HA 0.564 nan 4.420 nan 0.000 0.274 1003 P C 0.397 177.619 177.300 -0.130 0.000 1.231 1003 P CA 0.059 63.100 63.100 -0.100 0.000 0.790 1003 P CB 1.047 32.696 31.700 -0.085 0.000 0.951 1004 A N 1.578 124.310 122.820 -0.147 0.000 2.520 1004 A HA 0.040 4.356 4.320 -0.007 0.000 0.235 1004 A C 0.560 178.041 177.584 -0.171 0.000 1.065 1004 A CA 0.043 51.972 52.037 -0.181 0.000 0.764 1004 A CB -0.400 18.518 19.000 -0.136 0.000 1.002 1004 A HN 0.630 nan 8.150 nan 0.000 0.502 1005 E N 0.760 120.790 120.200 -0.284 0.000 2.366 1005 E HA 0.422 4.768 4.350 -0.007 0.000 0.266 1005 E C -0.567 176.040 176.600 0.012 0.000 1.051 1005 E CA 0.014 56.309 56.400 -0.174 0.000 0.884 1005 E CB 0.442 29.945 29.700 -0.327 0.000 1.006 1005 E HN 0.443 nan 8.360 nan 0.000 0.417 1006 I N 4.618 125.234 120.570 0.076 0.000 2.365 1006 I HA 0.133 4.299 4.170 -0.007 0.000 0.291 1006 I C -0.213 175.997 176.117 0.155 0.000 1.004 1006 I CA -0.512 60.868 61.300 0.134 0.000 1.311 1006 I CB 0.714 38.789 38.000 0.124 0.000 1.401 1006 I HN 0.334 nan 8.210 nan 0.000 0.491 1007 L N 6.628 127.949 121.223 0.164 0.000 2.302 1007 L HA 0.232 4.568 4.340 -0.007 0.000 0.285 1007 L C 0.426 177.345 176.870 0.082 0.000 1.090 1007 L CA -0.300 54.617 54.840 0.129 0.000 0.866 1007 L CB -0.086 42.045 42.059 0.119 0.000 1.244 1007 L HN 0.551 nan 8.230 nan 0.000 0.435 1008 N N 2.433 121.173 118.700 0.067 0.000 2.434 1008 N HA 0.025 4.761 4.740 -0.007 0.000 0.273 1008 N C 1.142 176.671 175.510 0.031 0.000 1.210 1008 N CA 0.156 53.232 53.050 0.044 0.000 0.992 1008 N CB 1.546 40.057 38.487 0.040 0.000 1.355 1008 N HN 0.708 nan 8.380 nan 0.000 0.495 1009 G N 2.908 111.722 108.800 0.024 0.000 2.432 1009 G HA2 -0.267 3.688 3.960 -0.007 0.000 0.219 1009 G HA3 -0.267 3.688 3.960 -0.007 0.000 0.219 1009 G C 1.434 176.341 174.900 0.013 0.000 1.135 1009 G CA 0.537 45.647 45.100 0.016 0.000 0.767 1009 G HN 0.551 nan 8.290 nan 0.000 0.550 1010 K N 0.428 120.835 120.400 0.012 0.000 2.057 1010 K HA -0.077 4.239 4.320 -0.007 0.000 0.207 1010 K C 2.338 178.946 176.600 0.013 0.000 1.049 1010 K CA 1.463 57.756 56.287 0.011 0.000 0.931 1010 K CB -0.146 32.359 32.500 0.009 0.000 0.714 1010 K HN 0.403 nan 8.250 nan 0.000 0.440 1011 E N 0.379 120.588 120.200 0.016 0.000 2.046 1011 E HA -0.123 4.223 4.350 -0.007 0.000 0.190 1011 E C 2.095 178.705 176.600 0.017 0.000 0.982 1011 E CA 1.174 57.584 56.400 0.017 0.000 0.800 1011 E CB -0.044 29.669 29.700 0.021 0.000 0.756 1011 E HN 0.319 nan 8.360 nan 0.000 0.449 1012 I N 1.466 122.046 120.570 0.017 0.000 2.286 1012 I HA -0.261 3.905 4.170 -0.007 0.000 0.248 1012 I C 2.636 178.760 176.117 0.012 0.000 1.115 1012 I CA 1.246 62.555 61.300 0.015 0.000 1.392 1012 I CB -0.317 37.691 38.000 0.014 0.000 1.065 1012 I HN 0.116 nan 8.210 nan 0.000 0.418 1013 S N 1.139 116.846 115.700 0.012 0.000 2.406 1013 S HA -0.046 4.420 4.470 -0.007 0.000 0.228 1013 S C 2.222 176.829 174.600 0.011 0.000 1.020 1013 S CA 0.665 58.871 58.200 0.011 0.000 0.965 1013 S CB -0.442 62.764 63.200 0.010 0.000 0.798 1013 S HN 0.381 nan 8.310 nan 0.000 0.488 1014 A N 1.777 124.605 122.820 0.012 0.000 1.930 1014 A HA -0.093 4.223 4.320 -0.007 0.000 0.217 1014 A C 2.363 179.955 177.584 0.012 0.000 1.175 1014 A CA 1.424 53.468 52.037 0.012 0.000 0.627 1014 A CB -0.757 18.250 19.000 0.012 0.000 0.815 1014 A HN 0.653 nan 8.150 nan 0.000 0.443 1015 Q N -0.432 119.375 119.800 0.012 0.000 2.050 1015 Q HA -0.124 4.211 4.340 -0.007 0.000 0.202 1015 Q C 2.096 178.103 176.000 0.012 0.000 0.980 1015 Q CA 1.582 57.392 55.803 0.012 0.000 0.840 1015 Q CB -0.364 28.382 28.738 0.012 0.000 0.898 1015 Q HN 0.735 nan 8.270 nan 0.000 0.424 1016 I N 0.524 121.101 120.570 0.012 0.000 2.127 1016 I HA -0.322 3.844 4.170 -0.007 0.000 0.241 1016 I C 2.471 178.597 176.117 0.014 0.000 1.075 1016 I CA 1.384 62.692 61.300 0.013 0.000 1.334 1016 I CB -0.328 37.680 38.000 0.013 0.000 1.040 1016 I HN 0.165 nan 8.210 nan 0.000 0.405 1017 R N 0.624 121.133 120.500 0.014 0.000 2.096 1017 R HA -0.144 4.192 4.340 -0.007 0.000 0.235 1017 R C 2.428 178.736 176.300 0.014 0.000 1.127 1017 R CA 1.441 57.549 56.100 0.014 0.000 0.968 1017 R CB -0.439 29.868 30.300 0.012 0.000 0.861 1017 R HN 0.409 nan 8.270 nan 0.000 0.440 1018 A N 1.193 124.021 122.820 0.014 0.000 1.898 1018 A HA -0.156 4.159 4.320 -0.007 0.000 0.216 1018 A C 2.075 179.668 177.584 0.015 0.000 1.181 1018 A CA 1.135 53.180 52.037 0.014 0.000 0.620 1018 A CB -0.288 18.719 19.000 0.013 0.000 0.819 1018 A HN 0.215 nan 8.150 nan 0.000 0.442 1019 R N -0.519 119.989 120.500 0.015 0.000 2.092 1019 R HA 0.026 4.362 4.340 -0.007 0.000 0.231 1019 R C 1.990 178.301 176.300 0.019 0.000 1.119 1019 R CA 1.290 57.400 56.100 0.016 0.000 0.970 1019 R CB -0.472 29.837 30.300 0.015 0.000 0.864 1019 R HN 0.480 nan 8.270 nan 0.000 0.440 1020 L N 0.894 122.129 121.223 0.020 0.000 2.141 1020 L HA -0.166 4.170 4.340 -0.007 0.000 0.209 1020 L C 2.656 179.541 176.870 0.025 0.000 1.094 1020 L CA 1.253 56.107 54.840 0.024 0.000 0.763 1020 L CB -0.388 41.686 42.059 0.024 0.000 0.908 1020 L HN 0.192 nan 8.230 nan 0.000 0.437 1021 K N 0.811 121.223 120.400 0.021 0.000 2.026 1021 K HA -0.198 4.118 4.320 -0.007 0.000 0.208 1021 K C 1.726 178.339 176.600 0.022 0.000 1.048 1021 K CA 1.961 58.260 56.287 0.020 0.000 0.929 1021 K CB -0.114 32.396 32.500 0.016 0.000 0.713 1021 K HN 0.402 nan 8.250 nan 0.000 0.439 1022 N N 0.175 118.888 118.700 0.021 0.000 2.104 1022 N HA -0.184 4.551 4.740 -0.007 0.000 0.190 1022 N C 1.992 177.518 175.510 0.026 0.000 1.024 1022 N CA 1.377 54.440 53.050 0.021 0.000 0.853 1022 N CB -0.002 38.496 38.487 0.018 0.000 1.008 1022 N HN 0.316 nan 8.380 nan 0.000 0.424 1023 Q N 0.400 120.217 119.800 0.028 0.000 2.050 1023 Q HA -0.094 4.242 4.340 -0.007 0.000 0.202 1023 Q C 2.243 178.271 176.000 0.047 0.000 0.980 1023 Q CA 1.148 56.972 55.803 0.034 0.000 0.840 1023 Q CB -0.061 28.698 28.738 0.034 0.000 0.898 1023 Q HN 0.222 nan 8.270 nan 0.000 0.424 1024 V N 0.674 120.616 119.914 0.046 0.000 2.407 1024 V HA -0.265 3.851 4.120 -0.007 0.000 0.248 1024 V C 2.186 178.314 176.094 0.057 0.000 1.055 1024 V CA 2.135 64.469 62.300 0.055 0.000 1.049 1024 V CB -0.810 31.035 31.823 0.036 0.000 0.662 1024 V HN 0.439 nan 8.190 nan 0.000 0.455 1025 T N -0.913 113.666 114.554 0.042 0.000 2.746 1025 T HA -0.202 4.144 4.350 -0.007 0.000 0.267 1025 T C 1.970 176.698 174.700 0.046 0.000 1.039 1025 T CA 1.273 63.397 62.100 0.039 0.000 1.142 1025 T CB -0.233 68.652 68.868 0.029 0.000 0.866 1025 T HN 0.388 nan 8.240 nan 0.000 0.444 1026 Q N 0.472 120.299 119.800 0.044 0.000 2.230 1026 Q HA 0.150 4.486 4.340 -0.007 0.000 0.202 1026 Q C 2.426 178.458 176.000 0.053 0.000 0.963 1026 Q CA 0.716 56.543 55.803 0.040 0.000 0.866 1026 Q CB -0.433 28.322 28.738 0.029 0.000 0.931 1026 Q HN 0.500 nan 8.270 nan 0.000 0.452 1027 L N 0.300 121.570 121.223 0.077 0.000 2.056 1027 L HA -0.167 4.169 4.340 -0.007 0.000 0.207 1027 L C 2.276 179.238 176.870 0.153 0.000 1.078 1027 L CA 1.175 56.081 54.840 0.110 0.000 0.749 1027 L CB -0.272 41.897 42.059 0.183 0.000 0.901 1027 L HN 0.153 nan 8.230 nan 0.000 0.433 1028 K N -0.080 120.413 120.400 0.154 0.000 2.148 1028 K HA -0.150 4.166 4.320 -0.007 0.000 0.204 1028 K C 1.905 178.566 176.600 0.101 0.000 1.050 1028 K CA 1.128 57.505 56.287 0.150 0.000 0.942 1028 K CB 0.017 32.577 32.500 0.100 0.000 0.724 1028 K HN 0.358 nan 8.250 nan 0.000 0.446 1029 E N 0.240 120.483 120.200 0.071 0.000 2.170 1029 E HA -0.088 4.258 4.350 -0.007 0.000 0.191 1029 E C 2.001 178.625 176.600 0.041 0.000 0.981 1029 E CA 0.466 56.896 56.400 0.050 0.000 0.830 1029 E CB 0.292 30.014 29.700 0.037 0.000 0.775 1029 E HN 0.190 nan 8.360 nan 0.000 0.470 1030 Q N -0.116 119.707 119.800 0.039 0.000 2.245 1030 Q HA 0.004 4.340 4.340 -0.007 0.000 0.201 1030 Q C 0.268 176.276 176.000 0.013 0.000 0.955 1030 Q CA 0.713 56.526 55.803 0.018 0.000 0.870 1030 Q CB 0.869 29.609 28.738 0.003 0.000 0.945 1030 Q HN 0.075 nan 8.270 nan 0.000 0.461 1031 V N 2.363 122.300 119.914 0.037 0.000 2.465 1031 V HA 0.227 4.343 4.120 -0.007 0.000 0.263 1031 V C -2.476 173.684 176.094 0.111 0.000 0.981 1031 V CA -1.626 60.698 62.300 0.041 0.000 0.838 1031 V CB 1.315 33.119 31.823 -0.032 0.000 1.068 1031 V HN -0.034 nan 8.190 nan 0.000 0.458 1032 P HA 0.215 nan 4.420 nan 0.000 0.258 1032 P C 1.150 178.520 177.300 0.116 0.000 1.172 1032 P CA 1.800 64.954 63.100 0.090 0.000 0.762 1032 P CB 0.508 32.243 31.700 0.059 0.000 0.764 1033 G N 2.878 111.754 108.800 0.127 0.000 2.259 1033 G HA2 -0.256 3.700 3.960 -0.007 0.000 0.217 1033 G HA3 -0.256 3.700 3.960 -0.007 0.000 0.217 1033 G C 0.009 175.022 174.900 0.188 0.000 1.001 1033 G CA -0.616 44.562 45.100 0.131 0.000 0.627 1033 G HN 0.510 nan 8.290 nan 0.000 0.501 1034 F N 3.377 123.371 119.950 0.073 0.000 2.538 1034 F HA 0.541 5.068 4.527 -0.001 0.000 0.371 1034 F C 0.305 176.152 175.800 0.078 0.000 1.087 1034 F CA 0.908 58.965 58.000 0.096 0.000 1.250 1034 F CB 1.089 40.139 39.000 0.083 0.000 1.110 1034 F HN -0.014 nan 8.300 nan 0.000 0.570 1035 T N 7.825 122.051 114.554 -0.547 0.000 3.009 1035 T HA 0.268 4.614 4.350 -0.007 0.000 0.346 1035 T C -2.672 171.714 174.700 -0.523 0.000 1.092 1035 T CA -1.250 60.613 62.100 -0.394 0.000 1.080 1035 T CB 1.039 69.813 68.868 -0.156 0.000 1.037 1035 T HN 0.273 nan 8.240 nan 0.000 0.487 1036 P HA 0.152 nan 4.420 nan 0.000 0.260 1036 P C -0.221 177.042 177.300 -0.062 0.000 1.185 1036 P CA -0.046 62.821 63.100 -0.390 0.000 0.763 1036 P CB 0.480 32.062 31.700 -0.197 0.000 0.776 1037 R N 3.564 124.186 120.500 0.204 0.000 2.561 1037 R HA 0.620 4.956 4.340 -0.007 0.000 0.297 1037 R C -1.562 174.771 176.300 0.055 0.000 0.969 1037 R CA -0.950 55.184 56.100 0.056 0.000 0.879 1037 R CB 0.898 31.155 30.300 -0.071 0.000 1.178 1037 R HN 0.312 nan 8.270 nan 0.000 0.445 1038 L N 3.030 124.269 121.223 0.027 0.000 2.333 1038 L HA 0.862 5.198 4.340 -0.007 0.000 0.269 1038 L C -1.511 175.383 176.870 0.040 0.000 1.010 1038 L CA -0.312 54.551 54.840 0.039 0.000 0.818 1038 L CB 2.114 44.189 42.059 0.026 0.000 1.306 1038 L HN 0.797 nan 8.230 nan 0.000 0.430 1039 A N 5.111 127.982 122.820 0.084 0.000 2.422 1039 A HA 0.804 5.120 4.320 -0.007 0.000 0.302 1039 A C -1.307 176.358 177.584 0.135 0.000 1.041 1039 A CA -0.422 51.667 52.037 0.088 0.000 0.708 1039 A CB 1.040 20.066 19.000 0.044 0.000 1.257 1039 A HN 0.634 nan 8.150 nan 0.000 0.414 1040 I N 2.434 123.070 120.570 0.111 0.000 2.418 1040 I HA 0.312 4.478 4.170 -0.007 0.000 0.287 1040 I C -1.052 175.157 176.117 0.153 0.000 1.008 1040 I CA -0.738 60.627 61.300 0.109 0.000 1.104 1040 I CB 1.827 39.837 38.000 0.016 0.000 1.264 1040 I HN 0.569 nan 8.210 nan 0.000 0.438 1041 L N 7.315 128.622 121.223 0.139 0.000 2.265 1041 L HA 0.437 4.773 4.340 -0.007 0.000 0.289 1041 L C -0.414 176.501 176.870 0.076 0.000 1.033 1041 L CA 0.255 55.146 54.840 0.085 0.000 0.814 1041 L CB 1.214 43.317 42.059 0.074 0.000 1.203 1041 L HN 0.638 nan 8.230 nan 0.000 0.423 1042 Q N 3.717 123.560 119.800 0.073 0.000 2.342 1042 Q HA 0.688 5.023 4.340 -0.007 0.000 0.267 1042 Q C -1.848 174.147 176.000 -0.007 0.000 1.038 1042 Q CA -0.838 55.010 55.803 0.076 0.000 0.832 1042 Q CB 2.158 31.025 28.738 0.215 0.000 1.323 1042 Q HN 0.564 nan 8.270 nan 0.000 0.448 1043 V N 3.651 123.565 119.914 -0.001 0.000 2.407 1043 V HA 0.774 4.890 4.120 -0.007 0.000 0.291 1043 V C 0.429 176.518 176.094 -0.007 0.000 1.018 1043 V CA 0.462 62.747 62.300 -0.025 0.000 0.842 1043 V CB 0.600 32.412 31.823 -0.019 0.000 0.996 1043 V HN 1.094 nan 8.190 nan 0.000 0.426 1044 G N 4.911 113.700 108.800 -0.018 0.000 2.472 1044 G HA2 -0.131 3.825 3.960 -0.007 0.000 0.205 1044 G HA3 -0.131 3.825 3.960 -0.007 0.000 0.205 1044 G C -0.286 174.612 174.900 -0.003 0.000 1.270 1044 G CA 0.146 45.241 45.100 -0.009 0.000 0.974 1044 G HN 0.872 nan 8.290 nan 0.000 0.542 1045 N N -0.002 118.697 118.700 -0.000 0.000 2.595 1045 N HA 0.205 4.941 4.740 -0.007 0.000 0.291 1045 N C 0.297 175.805 175.510 -0.004 0.000 1.706 1045 N CA -0.196 52.855 53.050 0.001 0.000 0.867 1045 N CB 0.307 38.790 38.487 -0.008 0.000 1.414 1045 N HN 0.672 nan 8.380 nan 0.000 0.492 1046 R N 0.168 120.667 120.500 -0.001 0.000 2.640 1046 R HA 0.023 4.359 4.340 -0.007 0.000 0.270 1046 R C 0.379 176.656 176.300 -0.037 0.000 1.024 1046 R CA 0.035 56.128 56.100 -0.013 0.000 1.085 1046 R CB 0.623 30.923 30.300 -0.001 0.000 0.963 1046 R HN 0.217 nan 8.270 nan 0.000 0.426 1047 D N 2.018 122.385 120.400 -0.055 0.000 2.117 1047 D HA -0.166 4.470 4.640 -0.007 0.000 0.198 1047 D C 1.388 177.596 176.300 -0.153 0.000 0.982 1047 D CA 1.601 55.550 54.000 -0.084 0.000 0.828 1047 D CB -0.134 40.620 40.800 -0.077 0.000 0.967 1047 D HN 0.628 nan 8.370 nan 0.000 0.464 1048 D N 0.387 120.674 120.400 -0.188 0.000 2.117 1048 D HA -0.092 4.544 4.640 -0.007 0.000 0.197 1048 D C 1.829 177.818 176.300 -0.518 0.000 0.987 1048 D CA 0.977 54.734 54.000 -0.405 0.000 0.829 1048 D CB -0.659 39.964 40.800 -0.295 0.000 0.961 1048 D HN -0.026 nan 8.370 nan 0.000 0.460 1049 S N 0.582 116.183 115.700 -0.164 0.000 2.368 1049 S HA -0.118 4.348 4.470 -0.007 0.000 0.225 1049 S C 1.722 176.291 174.600 -0.051 0.000 1.030 1049 S CA 0.981 59.178 58.200 -0.005 0.000 0.999 1049 S CB -0.333 62.898 63.200 0.052 0.000 0.844 1049 S HN 0.279 nan 8.310 nan 0.000 0.459 1050 N N 1.723 120.380 118.700 -0.072 0.000 2.104 1050 N HA -0.032 4.704 4.740 -0.007 0.000 0.190 1050 N C 1.669 177.126 175.510 -0.088 0.000 1.024 1050 N CA 0.934 53.953 53.050 -0.051 0.000 0.853 1050 N CB -0.585 37.882 38.487 -0.033 0.000 1.008 1050 N HN 0.347 nan 8.380 nan 0.000 0.424 1051 L N -0.320 120.802 121.223 -0.168 0.000 2.005 1051 L HA -0.168 4.168 4.340 -0.007 0.000 0.207 1051 L C 2.186 179.004 176.870 -0.087 0.000 1.072 1051 L CA 1.224 55.961 54.840 -0.172 0.000 0.744 1051 L CB -0.679 41.214 42.059 -0.276 0.000 0.895 1051 L HN 0.211 nan 8.230 nan 0.000 0.433 1052 Y N -0.155 120.125 120.300 -0.033 0.000 2.128 1052 Y HA -0.286 4.259 4.550 -0.008 0.000 0.284 1052 Y C 2.608 178.469 175.900 -0.065 0.000 1.154 1052 Y CA 0.883 58.960 58.100 -0.037 0.000 1.149 1052 Y CB -0.248 38.195 38.460 -0.029 0.000 0.976 1052 Y HN 0.091 nan 8.280 nan 0.000 0.505 1053 I N 0.590 121.191 120.570 0.052 0.000 2.179 1053 I HA -0.349 3.817 4.170 -0.007 0.000 0.242 1053 I C 2.276 178.332 176.117 -0.100 0.000 1.088 1053 I CA 1.925 63.169 61.300 -0.093 0.000 1.357 1053 I CB -0.509 37.319 38.000 -0.285 0.000 1.051 1053 I HN 0.354 nan 8.210 nan 0.000 0.409 1054 N N 0.991 119.648 118.700 -0.071 0.000 2.289 1054 N HA -0.154 4.582 4.740 -0.007 0.000 0.184 1054 N C 1.521 177.021 175.510 -0.017 0.000 1.016 1054 N CA 1.425 54.449 53.050 -0.043 0.000 0.872 1054 N CB -0.315 38.155 38.487 -0.028 0.000 0.973 1054 N HN 0.138 nan 8.380 nan 0.000 0.433 1055 V N 0.314 120.231 119.914 0.005 0.000 2.453 1055 V HA -0.111 4.004 4.120 -0.007 0.000 0.247 1055 V C 2.245 178.345 176.094 0.010 0.000 1.048 1055 V CA 1.562 63.874 62.300 0.021 0.000 1.049 1055 V CB -0.468 31.389 31.823 0.056 0.000 0.672 1055 V HN 0.363 nan 8.190 nan 0.000 0.457 1056 K N 0.037 120.438 120.400 0.002 0.000 2.025 1056 K HA -0.065 4.251 4.320 -0.007 0.000 0.207 1056 K C 2.120 178.711 176.600 -0.016 0.000 1.049 1056 K CA 1.283 57.563 56.287 -0.010 0.000 0.933 1056 K CB -0.317 32.170 32.500 -0.022 0.000 0.714 1056 K HN 0.319 nan 8.250 nan 0.000 0.438 1057 L N 1.323 122.528 121.223 -0.029 0.000 2.042 1057 L HA -0.202 4.134 4.340 -0.007 0.000 0.210 1057 L C 2.677 179.543 176.870 -0.007 0.000 1.076 1057 L CA 1.330 56.158 54.840 -0.021 0.000 0.749 1057 L CB -0.434 41.608 42.059 -0.029 0.000 0.893 1057 L HN 0.218 nan 8.230 nan 0.000 0.432 1058 K N 0.344 120.741 120.400 -0.005 0.000 2.026 1058 K HA -0.174 4.142 4.320 -0.007 0.000 0.208 1058 K C 2.161 178.763 176.600 0.003 0.000 1.048 1058 K CA 1.358 57.646 56.287 0.001 0.000 0.929 1058 K CB -0.067 32.434 32.500 0.002 0.000 0.713 1058 K HN 0.264 nan 8.250 nan 0.000 0.439 1059 A N 0.918 123.740 122.820 0.003 0.000 1.933 1059 A HA -0.086 4.230 4.320 -0.007 0.000 0.218 1059 A C 2.247 179.834 177.584 0.005 0.000 1.175 1059 A CA 1.776 53.816 52.037 0.005 0.000 0.628 1059 A CB -0.599 18.404 19.000 0.006 0.000 0.814 1059 A HN 0.471 nan 8.150 nan 0.000 0.444 1060 A N -0.379 122.442 122.820 0.002 0.000 1.873 1060 A HA -0.109 4.206 4.320 -0.007 0.000 0.215 1060 A C 1.927 179.513 177.584 0.003 0.000 1.186 1060 A CA 1.592 53.631 52.037 0.002 0.000 0.616 1060 A CB -0.409 18.592 19.000 0.000 0.000 0.823 1060 A HN 0.404 nan 8.150 nan 0.000 0.442 1061 E N -0.282 119.919 120.200 0.002 0.000 2.153 1061 E HA -0.196 4.149 4.350 -0.007 0.000 0.194 1061 E C 1.891 178.493 176.600 0.004 0.000 0.988 1061 E CA 1.498 57.899 56.400 0.003 0.000 0.811 1061 E CB -0.250 29.452 29.700 0.003 0.000 0.746 1061 E HN 0.733 nan 8.360 nan 0.000 0.466 1062 E N 0.808 121.011 120.200 0.005 0.000 2.152 1062 E HA -0.055 4.291 4.350 -0.007 0.000 0.192 1062 E C 1.883 178.488 176.600 0.008 0.000 0.983 1062 E CA 0.617 57.021 56.400 0.007 0.000 0.818 1062 E CB -0.193 29.512 29.700 0.007 0.000 0.758 1062 E HN 0.248 nan 8.360 nan 0.000 0.467 1063 I N -0.942 119.634 120.570 0.009 0.000 2.928 1063 I HA 0.078 4.244 4.170 -0.007 0.000 0.266 1063 I C 1.418 177.541 176.117 0.010 0.000 1.234 1063 I CA 0.737 62.043 61.300 0.011 0.000 1.483 1063 I CB 0.001 38.008 38.000 0.013 0.000 1.097 1063 I HN 0.390 nan 8.210 nan 0.000 0.455 1064 G N 1.488 110.291 108.800 0.006 0.000 2.159 1064 G HA2 -0.218 3.738 3.960 -0.007 0.000 0.227 1064 G HA3 -0.218 3.738 3.960 -0.007 0.000 0.227 1064 G C 0.210 175.105 174.900 -0.009 0.000 0.986 1064 G CA -0.520 44.581 45.100 0.002 0.000 0.651 1064 G HN 0.272 nan 8.290 nan 0.000 0.523 1065 I N 1.255 121.821 120.570 -0.007 0.000 2.395 1065 I HA 0.240 4.406 4.170 -0.007 0.000 0.289 1065 I C 0.895 177.004 176.117 -0.015 0.000 1.023 1065 I CA -0.475 60.816 61.300 -0.015 0.000 1.350 1065 I CB 1.278 39.277 38.000 -0.003 0.000 1.409 1065 I HN -0.060 nan 8.210 nan 0.000 0.507 1066 K N 6.407 126.792 120.400 -0.025 0.000 2.338 1066 K HA 0.430 4.746 4.320 -0.007 0.000 0.290 1066 K C -0.644 175.950 176.600 -0.010 0.000 1.069 1066 K CA -0.289 55.986 56.287 -0.020 0.000 0.941 1066 K CB 0.717 33.196 32.500 -0.034 0.000 1.023 1066 K HN 0.742 nan 8.250 nan 0.000 0.477 1067 A N 3.999 126.819 122.820 0.000 0.000 2.260 1067 A HA 0.364 4.680 4.320 -0.007 0.000 0.314 1067 A C -0.534 177.064 177.584 0.023 0.000 1.257 1067 A CA -0.531 51.512 52.037 0.010 0.000 0.871 1067 A CB 0.849 19.854 19.000 0.008 0.000 1.166 1067 A HN 0.655 nan 8.150 nan 0.000 0.522 1068 T N 2.605 117.178 114.554 0.031 0.000 2.771 1068 T HA 0.347 4.693 4.350 -0.007 0.000 0.281 1068 T C -0.418 174.346 174.700 0.106 0.000 0.982 1068 T CA -0.039 62.089 62.100 0.046 0.000 0.978 1068 T CB 0.380 69.255 68.868 0.012 0.000 0.930 1068 T HN 0.689 nan 8.240 nan 0.000 0.447 1069 H N 3.816 122.877 119.070 -0.014 0.000 2.541 1069 H HA 0.498 5.049 4.556 -0.007 0.000 0.316 1069 H C -0.835 174.473 175.328 -0.032 0.000 1.043 1069 H CA -0.917 55.121 56.048 -0.017 0.000 1.232 1069 H CB 0.511 30.265 29.762 -0.013 0.000 1.406 1069 H HN 0.502 nan 8.280 nan 0.000 0.469 1070 I N 6.273 126.839 120.570 -0.006 0.000 2.328 1070 I HA 0.150 4.316 4.170 -0.007 0.000 0.287 1070 I C -0.235 175.708 176.117 -0.289 0.000 1.012 1070 I CA -0.415 60.773 61.300 -0.186 0.000 1.195 1070 I CB 1.246 39.164 38.000 -0.137 0.000 1.350 1070 I HN 0.410 nan 8.210 nan 0.000 0.464 1071 K N 8.280 128.423 120.400 -0.429 0.000 2.334 1071 K HA 0.519 4.835 4.320 -0.007 0.000 0.265 1071 K C -1.075 175.390 176.600 -0.226 0.000 1.039 1071 K CA -0.525 55.569 56.287 -0.322 0.000 0.920 1071 K CB 0.841 33.104 32.500 -0.395 0.000 1.160 1071 K HN 0.595 nan 8.250 nan 0.000 0.451 1072 L N 6.195 127.296 121.223 -0.204 0.000 2.357 1072 L HA 0.458 4.794 4.340 -0.007 0.000 0.273 1072 L C -1.796 175.014 176.870 -0.100 0.000 1.080 1072 L CA -2.212 52.518 54.840 -0.183 0.000 0.803 1072 L CB 1.109 43.025 42.059 -0.238 0.000 1.174 1072 L HN 0.549 nan 8.230 nan 0.000 0.443 1073 P HA 0.109 nan 4.420 nan 0.000 0.272 1073 P C -0.021 177.261 177.300 -0.030 0.000 1.240 1073 P CA -0.382 62.692 63.100 -0.043 0.000 0.791 1073 P CB 0.759 32.439 31.700 -0.032 0.000 0.978 1074 R N 0.062 120.550 120.500 -0.020 0.000 2.159 1074 R HA -0.079 4.257 4.340 -0.007 0.000 0.237 1074 R C 1.911 178.206 176.300 -0.008 0.000 1.131 1074 R CA 2.077 58.169 56.100 -0.012 0.000 0.982 1074 R CB -1.086 29.209 30.300 -0.008 0.000 0.868 1074 R HN 0.653 nan 8.270 nan 0.000 0.453 1075 T N -2.051 112.499 114.554 -0.008 0.000 3.113 1075 T HA -0.014 4.332 4.350 -0.007 0.000 0.263 1075 T C 0.863 175.564 174.700 0.001 0.000 1.143 1075 T CA 0.251 62.350 62.100 -0.003 0.000 1.090 1075 T CB -0.213 68.654 68.868 -0.002 0.000 0.922 1075 T HN -0.036 nan 8.240 nan 0.000 0.521 1076 T N 3.768 118.320 114.554 -0.003 0.000 2.946 1076 T HA 0.341 4.687 4.350 -0.007 0.000 0.311 1076 T C 0.756 175.463 174.700 0.012 0.000 1.063 1076 T CA 0.181 62.284 62.100 0.005 0.000 1.139 1076 T CB 0.867 69.728 68.868 -0.012 0.000 0.994 1076 T HN 0.670 nan 8.240 nan 0.000 0.547 1077 T N -0.597 113.971 114.554 0.023 0.000 2.923 1077 T HA 0.389 4.735 4.350 -0.007 0.000 0.281 1077 T C 1.209 175.928 174.700 0.032 0.000 0.995 1077 T CA -0.959 61.156 62.100 0.024 0.000 0.985 1077 T CB 1.512 70.394 68.868 0.023 0.000 1.114 1077 T HN 0.639 nan 8.240 nan 0.000 0.548 1078 E N 0.299 120.516 120.200 0.029 0.000 2.077 1078 E HA -0.178 4.168 4.350 -0.007 0.000 0.193 1078 E C 2.151 178.777 176.600 0.043 0.000 0.989 1078 E CA 1.578 57.999 56.400 0.034 0.000 0.800 1078 E CB -0.270 29.446 29.700 0.028 0.000 0.746 1078 E HN 0.782 nan 8.360 nan 0.000 0.452 1079 S N 0.262 115.984 115.700 0.037 0.000 2.399 1079 S HA -0.201 4.265 4.470 -0.007 0.000 0.231 1079 S C 1.739 176.371 174.600 0.054 0.000 1.022 1079 S CA 1.322 59.545 58.200 0.037 0.000 0.983 1079 S CB -0.316 62.899 63.200 0.025 0.000 0.803 1079 S HN 0.332 nan 8.310 nan 0.000 0.480 1080 E N 0.893 121.136 120.200 0.072 0.000 2.047 1080 E HA -0.045 4.300 4.350 -0.007 0.000 0.191 1080 E C 2.219 178.945 176.600 0.209 0.000 0.987 1080 E CA 1.216 57.692 56.400 0.128 0.000 0.799 1080 E CB -0.397 29.382 29.700 0.131 0.000 0.752 1080 E HN 0.397 nan 8.360 nan 0.000 0.449 1081 V N 1.570 121.566 119.914 0.137 0.000 2.332 1081 V HA -0.291 3.825 4.120 -0.007 0.000 0.248 1081 V C 2.349 178.531 176.094 0.147 0.000 1.055 1081 V CA 1.431 63.807 62.300 0.127 0.000 1.038 1081 V CB -0.378 31.483 31.823 0.063 0.000 0.651 1081 V HN 0.343 nan 8.190 nan 0.000 0.450 1082 M N -0.240 119.422 119.600 0.104 0.000 2.159 1082 M HA -0.159 4.317 4.480 -0.007 0.000 0.263 1082 M C 2.217 178.558 176.300 0.069 0.000 1.063 1082 M CA 1.777 57.126 55.300 0.082 0.000 1.110 1082 M CB -1.101 31.533 32.600 0.055 0.000 1.374 1082 M HN 0.328 nan 8.290 nan 0.000 0.411 1083 K N 0.066 120.500 120.400 0.056 0.000 2.057 1083 K HA -0.158 4.158 4.320 -0.007 0.000 0.207 1083 K C 1.734 178.286 176.600 -0.080 0.000 1.049 1083 K CA 1.692 57.962 56.287 -0.029 0.000 0.931 1083 K CB -0.611 31.844 32.500 -0.075 0.000 0.714 1083 K HN 0.248 nan 8.250 nan 0.000 0.440 1084 Y N 0.368 120.641 120.300 -0.045 0.000 2.200 1084 Y HA -0.052 4.491 4.550 -0.012 0.000 0.290 1084 Y C 1.999 177.820 175.900 -0.131 0.000 1.137 1084 Y CA 1.581 59.631 58.100 -0.084 0.000 1.163 1084 Y CB -0.080 38.338 38.460 -0.070 0.000 0.988 1084 Y HN -0.006 nan 8.280 nan 0.000 0.518 1085 I N -0.994 119.632 120.570 0.093 0.000 2.226 1085 I HA -0.313 3.853 4.170 -0.007 0.000 0.245 1085 I C 2.105 178.224 176.117 0.003 0.000 1.100 1085 I CA 1.632 62.967 61.300 0.058 0.000 1.374 1085 I CB -0.620 37.492 38.000 0.187 0.000 1.057 1085 I HN 0.181 nan 8.210 nan 0.000 0.413 1086 T N 0.247 114.806 114.554 0.008 0.000 2.821 1086 T HA -0.131 4.215 4.350 -0.007 0.000 0.267 1086 T C 2.076 176.739 174.700 -0.062 0.000 1.046 1086 T CA 1.720 63.816 62.100 -0.006 0.000 1.139 1086 T CB -0.207 68.656 68.868 -0.008 0.000 0.871 1086 T HN 0.535 nan 8.240 nan 0.000 0.454 1087 S N 1.585 117.215 115.700 -0.117 0.000 2.387 1087 S HA 0.073 4.539 4.470 -0.007 0.000 0.226 1087 S C 2.077 176.566 174.600 -0.186 0.000 1.026 1087 S CA 0.560 58.669 58.200 -0.151 0.000 0.972 1087 S CB -0.721 62.355 63.200 -0.207 0.000 0.814 1087 S HN 0.392 nan 8.310 nan 0.000 0.477 1088 L N 1.611 122.653 121.223 -0.301 0.000 2.093 1088 L HA -0.076 4.260 4.340 -0.007 0.000 0.208 1088 L C 2.539 179.207 176.870 -0.338 0.000 1.085 1088 L CA 1.070 55.597 54.840 -0.520 0.000 0.755 1088 L CB -0.749 40.569 42.059 -1.236 0.000 0.904 1088 L HN 0.301 nan 8.230 nan 0.000 0.435 1089 N N 0.080 118.693 118.700 -0.146 0.000 2.084 1089 N HA -0.207 4.529 4.740 -0.007 0.000 0.190 1089 N C 1.833 177.364 175.510 0.035 0.000 1.030 1089 N CA 1.263 54.366 53.050 0.089 0.000 0.849 1089 N CB -0.159 38.405 38.487 0.128 0.000 1.012 1089 N HN 0.225 nan 8.380 nan 0.000 0.423 1090 E N 0.781 120.972 120.200 -0.015 0.000 2.208 1090 E HA -0.049 4.297 4.350 -0.007 0.000 0.193 1090 E C -0.196 176.387 176.600 -0.028 0.000 0.988 1090 E CA 0.276 56.670 56.400 -0.011 0.000 0.828 1090 E CB -0.219 29.466 29.700 -0.026 0.000 0.763 1090 E HN 0.204 nan 8.360 nan 0.000 0.478 1091 D N -0.165 120.190 120.400 -0.075 0.000 2.346 1091 D HA -0.037 4.599 4.640 -0.007 0.000 0.267 1091 D C 0.506 176.739 176.300 -0.112 0.000 1.320 1091 D CA 0.158 54.100 54.000 -0.097 0.000 0.951 1091 D CB 0.496 41.212 40.800 -0.140 0.000 1.079 1091 D HN 0.047 nan 8.370 nan 0.000 0.509 1092 S N 1.339 116.999 115.700 -0.066 0.000 2.547 1092 S HA -0.160 4.306 4.470 -0.007 0.000 0.235 1092 S C 1.703 176.132 174.600 -0.284 0.000 0.980 1092 S CA 1.046 59.207 58.200 -0.066 0.000 0.941 1092 S CB -0.330 62.943 63.200 0.123 0.000 0.763 1092 S HN 0.549 nan 8.310 nan 0.000 0.532 1093 T N -1.086 113.300 114.554 -0.280 0.000 3.057 1093 T HA 0.250 4.596 4.350 -0.007 0.000 0.254 1093 T C 0.442 174.767 174.700 -0.624 0.000 1.094 1093 T CA -0.119 61.752 62.100 -0.381 0.000 1.088 1093 T CB -0.346 68.407 68.868 -0.191 0.000 0.934 1093 T HN 0.182 nan 8.240 nan 0.000 0.497 1094 V N 2.332 121.943 119.914 -0.505 0.000 2.383 1094 V HA 0.327 4.443 4.120 -0.007 0.000 0.275 1094 V C 0.652 176.450 176.094 -0.492 0.000 1.036 1094 V CA -0.592 61.463 62.300 -0.409 0.000 0.889 1094 V CB 0.845 32.553 31.823 -0.191 0.000 0.985 1094 V HN 0.494 nan 8.190 nan 0.000 0.459 1095 H N 2.470 121.459 119.070 -0.136 0.000 2.520 1095 H HA 0.459 5.011 4.556 -0.006 0.000 0.279 1095 H C 1.052 176.401 175.328 0.035 0.000 0.990 1095 H CA 0.786 56.781 56.048 -0.090 0.000 1.288 1095 H CB 0.669 30.387 29.762 -0.074 0.000 1.446 1095 H HN 0.745 nan 8.280 nan 0.000 0.538 1096 G N -0.074 108.801 108.800 0.124 0.000 2.759 1096 G HA2 0.453 4.409 3.960 -0.007 0.000 0.297 1096 G HA3 0.453 4.409 3.960 -0.007 0.000 0.297 1096 G C -1.482 173.484 174.900 0.111 0.000 1.434 1096 G CA -0.839 44.284 45.100 0.039 0.000 0.980 1096 G HN 0.203 nan 8.290 nan 0.000 0.531 1097 F N 0.158 120.041 119.950 -0.111 0.000 2.685 1097 F HA 0.898 5.424 4.527 -0.003 0.000 0.315 1097 F C -1.463 174.282 175.800 -0.092 0.000 1.126 1097 F CA -1.590 56.362 58.000 -0.081 0.000 0.950 1097 F CB 1.770 40.740 39.000 -0.049 0.000 1.360 1097 F HN 0.684 nan 8.300 nan 0.000 0.469 1098 L N -0.038 121.216 121.223 0.051 0.000 2.465 1098 L HA 0.883 5.219 4.340 -0.007 0.000 0.257 1098 L C -1.871 175.054 176.870 0.092 0.000 0.988 1098 L CA -1.162 53.638 54.840 -0.066 0.000 0.827 1098 L CB 1.857 43.861 42.059 -0.091 0.000 1.397 1098 L HN 0.583 nan 8.230 nan 0.000 0.410 1099 V N 1.624 121.563 119.914 0.041 0.000 2.350 1099 V HA 0.443 4.559 4.120 -0.007 0.000 0.276 1099 V C 0.035 176.148 176.094 0.032 0.000 1.028 1099 V CA -0.261 62.082 62.300 0.072 0.000 0.860 1099 V CB 1.079 32.946 31.823 0.074 0.000 0.990 1099 V HN 0.905 nan 8.190 nan 0.000 0.453 1100 Q N 4.655 124.480 119.800 0.041 0.000 2.297 1100 Q HA 0.408 4.744 4.340 -0.007 0.000 0.267 1100 Q C -1.027 174.996 176.000 0.038 0.000 1.006 1100 Q CA 0.546 56.370 55.803 0.034 0.000 0.896 1100 Q CB 0.670 29.436 28.738 0.046 0.000 1.186 1100 Q HN 0.679 nan 8.270 nan 0.000 0.392 1101 L N 6.097 127.338 121.223 0.031 0.000 2.330 1101 L HA 0.685 5.021 4.340 -0.007 0.000 0.271 1101 L C -1.866 175.036 176.870 0.054 0.000 1.013 1101 L CA -2.222 52.637 54.840 0.033 0.000 0.816 1101 L CB 1.688 43.757 42.059 0.015 0.000 1.287 1101 L HN 0.715 nan 8.230 nan 0.000 0.435 1102 P HA 0.295 nan 4.420 nan 0.000 0.281 1102 P C -0.889 176.432 177.300 0.035 0.000 1.249 1102 P CA -0.594 62.528 63.100 0.037 0.000 0.810 1102 P CB 1.116 32.838 31.700 0.035 0.000 1.008 1103 L N 1.409 122.648 121.223 0.027 0.000 2.456 1103 L HA 0.129 4.465 4.340 -0.007 0.000 0.272 1103 L C 0.711 177.592 176.870 0.018 0.000 1.189 1103 L CA 0.334 55.187 54.840 0.022 0.000 0.846 1103 L CB -0.160 41.910 42.059 0.019 0.000 1.111 1103 L HN 0.437 nan 8.230 nan 0.000 0.475 1104 D N 1.941 122.349 120.400 0.013 0.000 2.462 1104 D HA 0.331 4.967 4.640 -0.007 0.000 0.249 1104 D C -0.866 175.436 176.300 0.003 0.000 1.117 1104 D CA 0.007 54.013 54.000 0.009 0.000 0.900 1104 D CB 1.089 41.894 40.800 0.009 0.000 1.039 1104 D HN 0.383 nan 8.370 nan 0.000 0.516 1105 S N 2.007 117.709 115.700 0.004 0.000 2.569 1105 S HA 0.243 4.709 4.470 -0.007 0.000 0.280 1105 S C 0.898 175.500 174.600 0.003 0.000 1.111 1105 S CA -0.653 57.549 58.200 0.002 0.000 0.887 1105 S CB 1.259 64.461 63.200 0.003 0.000 1.095 1105 S HN 0.434 nan 8.310 nan 0.000 0.476 1106 E N 2.308 122.510 120.200 0.002 0.000 2.274 1106 E HA -0.001 4.345 4.350 -0.007 0.000 0.194 1106 E C 0.138 176.741 176.600 0.005 0.000 0.996 1106 E CA 0.516 56.918 56.400 0.003 0.000 0.840 1106 E CB -0.132 29.569 29.700 0.001 0.000 0.772 1106 E HN 0.433 nan 8.360 nan 0.000 0.491 1107 N N 0.893 119.597 118.700 0.006 0.000 2.482 1107 N HA 0.156 4.891 4.740 -0.007 0.000 0.279 1107 N C -0.840 174.676 175.510 0.009 0.000 1.182 1107 N CA -0.465 52.589 53.050 0.008 0.000 0.969 1107 N CB 1.601 40.094 38.487 0.009 0.000 1.201 1107 N HN -0.082 nan 8.380 nan 0.000 0.523 1108 S N 0.607 116.313 115.700 0.010 0.000 2.499 1108 S HA 0.438 4.904 4.470 -0.007 0.000 0.275 1108 S C 0.149 174.757 174.600 0.013 0.000 1.257 1108 S CA -0.362 57.845 58.200 0.011 0.000 1.050 1108 S CB -0.071 63.135 63.200 0.010 0.000 0.937 1108 S HN 0.279 nan 8.310 nan 0.000 0.490 1109 I N 3.483 124.061 120.570 0.015 0.000 2.478 1109 I HA 0.242 4.408 4.170 -0.007 0.000 0.287 1109 I C -0.262 175.865 176.117 0.018 0.000 1.042 1109 I CA -0.787 60.523 61.300 0.018 0.000 1.067 1109 I CB 1.726 39.737 38.000 0.019 0.000 1.233 1109 I HN 0.430 nan 8.210 nan 0.000 0.431 1110 N N 4.433 123.144 118.700 0.019 0.000 2.406 1110 N HA 0.055 4.791 4.740 -0.007 0.000 0.269 1110 N C 0.915 176.437 175.510 0.020 0.000 1.210 1110 N CA 0.397 53.458 53.050 0.018 0.000 0.966 1110 N CB 0.802 39.300 38.487 0.018 0.000 1.293 1110 N HN 0.581 nan 8.380 nan 0.000 0.491 1111 T N 2.639 117.204 114.554 0.019 0.000 2.699 1111 T HA -0.156 4.190 4.350 -0.007 0.000 0.268 1111 T C 1.316 176.027 174.700 0.018 0.000 1.036 1111 T CA 1.283 63.394 62.100 0.019 0.000 1.147 1111 T CB 0.086 68.964 68.868 0.016 0.000 0.862 1111 T HN 0.582 nan 8.240 nan 0.000 0.446 1112 E N 0.790 121.000 120.200 0.016 0.000 2.106 1112 E HA -0.127 4.218 4.350 -0.007 0.000 0.192 1112 E C 2.332 178.943 176.600 0.018 0.000 0.984 1112 E CA 0.907 57.315 56.400 0.014 0.000 0.806 1112 E CB -0.104 29.604 29.700 0.012 0.000 0.750 1112 E HN 0.631 nan 8.360 nan 0.000 0.458 1113 E N 0.442 120.655 120.200 0.021 0.000 2.106 1113 E HA -0.117 4.229 4.350 -0.007 0.000 0.192 1113 E C 2.254 178.875 176.600 0.034 0.000 0.984 1113 E CA 0.682 57.097 56.400 0.026 0.000 0.806 1113 E CB 0.139 29.854 29.700 0.025 0.000 0.750 1113 E HN 0.039 nan 8.360 nan 0.000 0.458 1114 V N 1.866 121.802 119.914 0.037 0.000 2.237 1114 V HA -0.266 3.850 4.120 -0.007 0.000 0.245 1114 V C 2.293 178.418 176.094 0.052 0.000 1.046 1114 V CA 1.318 63.648 62.300 0.051 0.000 1.007 1114 V CB -0.362 31.490 31.823 0.049 0.000 0.638 1114 V HN 0.283 nan 8.190 nan 0.000 0.445 1115 I N 0.738 121.327 120.570 0.032 0.000 2.194 1115 I HA -0.231 3.935 4.170 -0.007 0.000 0.246 1115 I C 2.053 178.175 176.117 0.008 0.000 1.093 1115 I CA 1.697 63.004 61.300 0.011 0.000 1.355 1115 I CB -1.398 36.601 38.000 -0.001 0.000 1.046 1115 I HN 0.435 nan 8.210 nan 0.000 0.413 1116 N N 0.784 119.495 118.700 0.019 0.000 2.521 1116 N HA 0.024 4.760 4.740 -0.007 0.000 0.188 1116 N C 1.523 177.053 175.510 0.035 0.000 1.146 1116 N CA 0.749 53.812 53.050 0.021 0.000 0.893 1116 N CB 0.355 38.854 38.487 0.020 0.000 0.975 1116 N HN 0.323 nan 8.380 nan 0.000 0.451 1117 A N 0.277 123.128 122.820 0.052 0.000 2.195 1117 A HA 0.198 4.514 4.320 -0.007 0.000 0.210 1117 A C 0.981 178.627 177.584 0.105 0.000 1.165 1117 A CA -0.243 51.838 52.037 0.073 0.000 0.806 1117 A CB 0.101 19.151 19.000 0.082 0.000 0.847 1117 A HN 0.109 nan 8.150 nan 0.000 0.482 1118 I N 1.555 122.174 120.570 0.081 0.000 2.618 1118 I HA 0.157 4.323 4.170 -0.007 0.000 0.284 1118 I C 0.951 177.091 176.117 0.039 0.000 1.146 1118 I CA -0.370 60.965 61.300 0.059 0.000 1.425 1118 I CB 1.006 38.897 38.000 -0.182 0.000 1.383 1118 I HN 0.270 nan 8.210 nan 0.000 0.562 1119 A N 8.784 131.668 122.820 0.106 0.000 2.522 1119 A HA 0.198 4.513 4.320 -0.007 0.000 0.256 1119 A C -1.465 176.157 177.584 0.063 0.000 1.086 1119 A CA -0.988 51.110 52.037 0.102 0.000 0.763 1119 A CB -0.220 18.875 19.000 0.158 0.000 1.024 1119 A HN 0.572 nan 8.150 nan 0.000 0.502 1120 P HA -0.239 nan 4.420 nan 0.000 0.217 1120 P C 1.330 178.773 177.300 0.238 0.000 1.148 1120 P CA 1.675 64.843 63.100 0.115 0.000 0.834 1120 P CB 0.207 31.961 31.700 0.091 0.000 0.783 1121 E N 0.168 120.504 120.200 0.225 0.000 2.511 1121 E HA -0.131 4.215 4.350 -0.007 0.000 0.196 1121 E C 0.954 177.810 176.600 0.426 0.000 1.066 1121 E CA 1.037 57.639 56.400 0.336 0.000 0.871 1121 E CB -0.314 29.519 29.700 0.222 0.000 0.863 1121 E HN 0.287 nan 8.360 nan 0.000 0.520 1122 K N 0.483 120.986 120.400 0.173 0.000 2.438 1122 K HA 0.057 4.373 4.320 -0.007 0.000 0.206 1122 K C -0.014 176.284 176.600 -0.504 0.000 1.081 1122 K CA 0.020 56.272 56.287 -0.059 0.000 1.053 1122 K CB 0.494 33.042 32.500 0.080 0.000 0.908 1122 K HN -0.095 nan 8.250 nan 0.000 0.556 1123 D N 2.419 122.518 120.400 -0.501 0.000 2.662 1123 D HA -0.038 4.598 4.640 -0.007 0.000 0.228 1123 D C 1.308 177.047 176.300 -0.935 0.000 1.093 1123 D CA -0.123 53.526 54.000 -0.584 0.000 1.075 1123 D CB 0.272 40.938 40.800 -0.224 0.000 1.122 1123 D HN -0.001 nan 8.370 nan 0.000 0.475 1124 V N -0.349 118.976 119.914 -0.981 0.000 2.568 1124 V HA -0.168 3.948 4.120 -0.007 0.000 0.253 1124 V C 1.471 177.341 176.094 -0.373 0.000 1.072 1124 V CA 1.449 63.253 62.300 -0.828 0.000 1.084 1124 V CB -0.276 31.269 31.823 -0.463 0.000 0.676 1124 V HN 0.173 nan 8.190 nan 0.000 0.469 1125 D N 1.065 121.294 120.400 -0.286 0.000 2.355 1125 D HA 0.168 4.804 4.640 -0.007 0.000 0.218 1125 D C 1.864 178.114 176.300 -0.083 0.000 1.004 1125 D CA 1.094 55.007 54.000 -0.146 0.000 0.880 1125 D CB -0.066 40.657 40.800 -0.129 0.000 0.911 1125 D HN 0.745 nan 8.370 nan 0.000 0.528 1126 G N 1.029 109.777 108.800 -0.086 0.000 2.283 1126 G HA2 -0.297 3.659 3.960 -0.007 0.000 0.280 1126 G HA3 -0.297 3.659 3.960 -0.007 0.000 0.280 1126 G C 0.878 175.787 174.900 0.016 0.000 1.029 1126 G CA 0.494 45.613 45.100 0.031 0.000 0.840 1126 G HN 0.427 nan 8.290 nan 0.000 0.505 1127 L N 0.448 121.656 121.223 -0.025 0.000 2.616 1127 L HA 0.166 4.502 4.340 -0.007 0.000 0.229 1127 L C 1.983 178.848 176.870 -0.008 0.000 1.110 1127 L CA 0.584 55.416 54.840 -0.014 0.000 0.884 1127 L CB -0.271 41.772 42.059 -0.026 0.000 1.115 1127 L HN 0.476 nan 8.230 nan 0.000 0.481 1128 T N -3.396 111.150 114.554 -0.013 0.000 2.903 1128 T HA 0.030 4.376 4.350 -0.007 0.000 0.314 1128 T C 1.345 176.054 174.700 0.015 0.000 1.078 1128 T CA -0.186 61.913 62.100 -0.003 0.000 1.114 1128 T CB 1.423 70.289 68.868 -0.004 0.000 0.987 1128 T HN -0.006 nan 8.240 nan 0.000 0.548 1129 S N 1.126 116.835 115.700 0.015 0.000 2.382 1129 S HA -0.060 4.406 4.470 -0.007 0.000 0.228 1129 S C 1.968 176.581 174.600 0.022 0.000 1.027 1129 S CA 0.927 59.138 58.200 0.019 0.000 0.991 1129 S CB -0.572 62.638 63.200 0.016 0.000 0.823 1129 S HN 0.687 nan 8.310 nan 0.000 0.469 1130 I N 1.694 122.278 120.570 0.023 0.000 2.226 1130 I HA -0.231 3.935 4.170 -0.007 0.000 0.245 1130 I C 2.397 178.531 176.117 0.028 0.000 1.100 1130 I CA 1.295 62.609 61.300 0.024 0.000 1.374 1130 I CB -0.400 37.617 38.000 0.028 0.000 1.057 1130 I HN 0.308 nan 8.210 nan 0.000 0.413 1131 N N 0.894 119.619 118.700 0.043 0.000 2.171 1131 N HA -0.111 4.625 4.740 -0.007 0.000 0.184 1131 N C 1.834 177.371 175.510 0.044 0.000 1.021 1131 N CA 1.409 54.494 53.050 0.058 0.000 0.854 1131 N CB -0.065 38.485 38.487 0.105 0.000 0.994 1131 N HN 0.285 nan 8.380 nan 0.000 0.426 1132 A N -0.269 122.576 122.820 0.042 0.000 1.933 1132 A HA 0.015 4.331 4.320 -0.007 0.000 0.218 1132 A C 2.246 179.855 177.584 0.043 0.000 1.175 1132 A CA 1.712 53.777 52.037 0.046 0.000 0.628 1132 A CB -1.363 17.660 19.000 0.039 0.000 0.814 1132 A HN 0.454 nan 8.150 nan 0.000 0.444 1133 G N -0.743 108.074 108.800 0.029 0.000 2.422 1133 G HA2 -0.175 3.781 3.960 -0.007 0.000 0.218 1133 G HA3 -0.175 3.781 3.960 -0.007 0.000 0.218 1133 G C 1.783 176.682 174.900 -0.001 0.000 1.140 1133 G CA 0.795 45.908 45.100 0.021 0.000 0.775 1133 G HN 0.570 nan 8.290 nan 0.000 0.545 1134 R N -0.701 119.789 120.500 -0.017 0.000 2.062 1134 R HA 0.097 4.433 4.340 -0.007 0.000 0.226 1134 R C 2.430 178.673 176.300 -0.094 0.000 1.125 1134 R CA 0.926 56.988 56.100 -0.064 0.000 0.966 1134 R CB -0.546 29.717 30.300 -0.062 0.000 0.861 1134 R HN 0.356 nan 8.270 nan 0.000 0.433 1135 L N 0.984 122.186 121.223 -0.035 0.000 2.083 1135 L HA -0.055 4.280 4.340 -0.007 0.000 0.209 1135 L C 2.145 179.050 176.870 0.058 0.000 1.083 1135 L CA 1.901 56.736 54.840 -0.009 0.000 0.752 1135 L CB -0.566 41.525 42.059 0.053 0.000 0.899 1135 L HN 0.118 nan 8.230 nan 0.000 0.433 1136 A N -0.839 122.046 122.820 0.109 0.000 2.015 1136 A HA -0.075 4.241 4.320 -0.007 0.000 0.219 1136 A C 1.921 179.683 177.584 0.298 0.000 1.163 1136 A CA 1.005 53.191 52.037 0.248 0.000 0.646 1136 A CB -0.372 18.735 19.000 0.177 0.000 0.806 1136 A HN 0.434 nan 8.150 nan 0.000 0.448 1137 R N -1.196 119.312 120.500 0.014 0.000 2.427 1137 R HA 0.233 4.569 4.340 -0.007 0.000 0.262 1137 R C 1.030 176.875 176.300 -0.757 0.000 0.943 1137 R CA 0.520 56.544 56.100 -0.126 0.000 1.081 1137 R CB -0.486 29.768 30.300 -0.076 0.000 1.166 1137 R HN 0.802 nan 8.270 nan 0.000 0.534 1138 G N 1.303 109.361 108.800 -1.237 0.000 2.141 1138 G HA2 -0.196 3.760 3.960 -0.007 0.000 0.231 1138 G HA3 -0.196 3.760 3.960 -0.007 0.000 0.231 1138 G C -0.307 174.144 174.900 -0.749 0.000 0.984 1138 G CA -0.057 43.998 45.100 -1.742 0.000 0.660 1138 G HN 0.246 nan 8.290 nan 0.000 0.525 1139 D N 1.282 121.413 120.400 -0.447 0.000 3.085 1139 D HA 0.226 4.862 4.640 -0.007 0.000 0.243 1139 D C 2.032 178.209 176.300 -0.205 0.000 1.232 1139 D CA -0.472 53.366 54.000 -0.270 0.000 0.913 1139 D CB 0.173 40.856 40.800 -0.193 0.000 1.108 1139 D HN 0.200 nan 8.370 nan 0.000 0.468 1140 L N 1.253 122.355 121.223 -0.202 0.000 2.362 1140 L HA -0.138 4.198 4.340 -0.007 0.000 0.219 1140 L C 2.140 178.949 176.870 -0.102 0.000 1.134 1140 L CA 0.970 55.741 54.840 -0.115 0.000 0.807 1140 L CB -0.681 41.346 42.059 -0.055 0.000 0.927 1140 L HN 0.308 nan 8.230 nan 0.000 0.447 1141 N N 0.542 119.175 118.700 -0.112 0.000 2.309 1141 N HA -0.194 4.541 4.740 -0.007 0.000 0.182 1141 N C 0.888 176.326 175.510 -0.120 0.000 1.018 1141 N CA 1.767 54.759 53.050 -0.097 0.000 0.876 1141 N CB -0.044 38.392 38.487 -0.085 0.000 0.972 1141 N HN 0.508 nan 8.380 nan 0.000 0.434 1142 D N -0.528 119.779 120.400 -0.156 0.000 2.401 1142 D HA 0.029 4.665 4.640 -0.007 0.000 0.269 1142 D C 1.030 177.123 176.300 -0.345 0.000 1.117 1142 D CA -0.266 53.604 54.000 -0.215 0.000 0.829 1142 D CB -0.839 39.861 40.800 -0.167 0.000 1.350 1142 D HN 0.402 nan 8.370 nan 0.000 0.529 1143 C N 0.291 119.431 119.300 -0.267 0.000 2.705 1143 C HA 0.629 5.085 4.460 -0.007 0.000 0.348 1143 C C 0.573 175.344 174.990 -0.365 0.000 1.386 1143 C CA -1.035 57.819 59.018 -0.273 0.000 2.361 1143 C CB -0.503 27.169 27.740 -0.115 0.000 2.486 1143 C HN 0.084 nan 8.230 nan 0.000 0.728 1144 F N 0.387 120.329 119.950 -0.014 0.000 2.432 1144 F HA 0.698 5.221 4.527 -0.006 0.000 0.329 1144 F C 0.569 176.365 175.800 -0.008 0.000 1.076 1144 F CA -0.682 57.311 58.000 -0.012 0.000 1.018 1144 F CB 0.996 39.983 39.000 -0.021 0.000 1.201 1144 F HN 0.402 nan 8.300 nan 0.000 0.489 1145 I N 3.215 123.907 120.570 0.204 0.000 2.436 1145 I HA 0.319 4.485 4.170 -0.007 0.000 0.289 1145 I C -2.467 173.703 176.117 0.089 0.000 1.010 1145 I CA -2.339 59.029 61.300 0.114 0.000 1.098 1145 I CB 1.817 39.864 38.000 0.078 0.000 1.266 1145 I HN 0.240 nan 8.210 nan 0.000 0.434 1146 P HA -0.084 nan 4.420 nan 0.000 0.263 1146 P C 0.991 178.303 177.300 0.020 0.000 1.175 1146 P CA -0.136 62.980 63.100 0.028 0.000 0.761 1146 P CB 0.362 32.076 31.700 0.023 0.000 0.794 1147 C N 1.267 120.567 119.300 0.001 0.000 2.396 1147 C HA -0.191 4.265 4.460 -0.007 0.000 0.277 1147 C C 2.143 177.131 174.990 -0.003 0.000 1.231 1147 C CA 1.900 60.916 59.018 -0.003 0.000 1.775 1147 C CB -2.086 25.640 27.740 -0.022 0.000 2.036 1147 C HN 0.506 nan 8.230 nan 0.000 0.484 1148 T N 2.788 117.337 114.554 -0.008 0.000 2.698 1148 T HA -0.010 4.336 4.350 -0.007 0.000 0.260 1148 T C -0.019 174.686 174.700 0.007 0.000 1.044 1148 T CA 2.351 64.447 62.100 -0.006 0.000 1.149 1148 T CB -1.347 67.513 68.868 -0.014 0.000 0.864 1148 T HN 0.540 nan 8.240 nan 0.000 0.419 1149 P HA -0.043 nan 4.420 nan 0.000 0.221 1149 P C 1.317 178.633 177.300 0.026 0.000 1.150 1149 P CA 1.113 64.228 63.100 0.026 0.000 0.800 1149 P CB 0.040 31.763 31.700 0.039 0.000 0.787 1150 K N 0.352 120.768 120.400 0.027 0.000 2.097 1150 K HA -0.055 4.261 4.320 -0.007 0.000 0.205 1150 K C 2.292 178.903 176.600 0.018 0.000 1.050 1150 K CA 1.540 57.844 56.287 0.028 0.000 0.938 1150 K CB -0.798 31.723 32.500 0.035 0.000 0.718 1150 K HN 0.063 nan 8.250 nan 0.000 0.442 1151 G N 0.324 109.132 108.800 0.013 0.000 2.421 1151 G HA2 -0.202 3.754 3.960 -0.007 0.000 0.217 1151 G HA3 -0.202 3.754 3.960 -0.007 0.000 0.217 1151 G C 1.540 176.444 174.900 0.007 0.000 1.143 1151 G CA 0.720 45.825 45.100 0.008 0.000 0.784 1151 G HN 0.369 nan 8.290 nan 0.000 0.541 1152 C N -0.200 119.105 119.300 0.009 0.000 2.446 1152 C HA 0.069 4.525 4.460 -0.007 0.000 0.277 1152 C C 2.671 177.663 174.990 0.003 0.000 1.275 1152 C CA 0.624 59.648 59.018 0.010 0.000 1.727 1152 C CB -0.858 26.891 27.740 0.015 0.000 2.010 1152 C HN 0.444 nan 8.230 nan 0.000 0.486 1153 L N 1.537 122.763 121.223 0.005 0.000 2.083 1153 L HA -0.099 4.236 4.340 -0.007 0.000 0.209 1153 L C 2.457 179.320 176.870 -0.012 0.000 1.083 1153 L CA 2.152 56.990 54.840 -0.003 0.000 0.752 1153 L CB -0.740 41.323 42.059 0.006 0.000 0.899 1153 L HN 0.304 nan 8.230 nan 0.000 0.433 1154 E N -0.349 119.848 120.200 -0.006 0.000 2.077 1154 E HA -0.214 4.132 4.350 -0.007 0.000 0.193 1154 E C 2.120 178.707 176.600 -0.022 0.000 0.989 1154 E CA 1.732 58.125 56.400 -0.011 0.000 0.800 1154 E CB -0.403 29.296 29.700 -0.001 0.000 0.746 1154 E HN 0.567 nan 8.360 nan 0.000 0.452 1155 L N 0.059 121.271 121.223 -0.018 0.000 2.093 1155 L HA -0.125 4.211 4.340 -0.007 0.000 0.208 1155 L C 2.456 179.290 176.870 -0.059 0.000 1.085 1155 L CA 0.955 55.780 54.840 -0.024 0.000 0.755 1155 L CB -0.353 41.705 42.059 -0.002 0.000 0.904 1155 L HN 0.236 nan 8.230 nan 0.000 0.435 1156 I N -0.310 120.226 120.570 -0.055 0.000 2.286 1156 I HA -0.283 3.883 4.170 -0.007 0.000 0.248 1156 I C 2.387 178.430 176.117 -0.123 0.000 1.115 1156 I CA 1.352 62.600 61.300 -0.086 0.000 1.392 1156 I CB -0.265 37.705 38.000 -0.050 0.000 1.065 1156 I HN 0.201 nan 8.210 nan 0.000 0.418 1157 K N 0.371 120.720 120.400 -0.085 0.000 2.288 1157 K HA -0.106 4.210 4.320 -0.007 0.000 0.201 1157 K C 1.763 178.299 176.600 -0.105 0.000 1.048 1157 K CA 0.662 56.899 56.287 -0.084 0.000 0.956 1157 K CB -0.013 32.458 32.500 -0.048 0.000 0.746 1157 K HN 0.235 nan 8.250 nan 0.000 0.461 1158 E N 0.364 120.498 120.200 -0.110 0.000 2.409 1158 E HA -0.104 4.242 4.350 -0.007 0.000 0.198 1158 E C 1.831 178.317 176.600 -0.191 0.000 1.024 1158 E CA 1.210 57.547 56.400 -0.106 0.000 0.861 1158 E CB 0.055 29.716 29.700 -0.065 0.000 0.788 1158 E HN 0.444 nan 8.360 nan 0.000 0.521 1159 T N -3.450 110.889 114.554 -0.359 0.000 3.014 1159 T HA 0.098 4.444 4.350 -0.007 0.000 0.263 1159 T C 1.652 176.112 174.700 -0.401 0.000 1.078 1159 T CA 1.051 62.705 62.100 -0.743 0.000 1.135 1159 T CB 0.181 68.294 68.868 -1.259 0.000 0.895 1159 T HN 0.201 nan 8.240 nan 0.000 0.480 1160 G N 0.593 109.260 108.800 -0.220 0.000 2.176 1160 G HA2 -0.224 3.732 3.960 -0.007 0.000 0.253 1160 G HA3 -0.224 3.732 3.960 -0.007 0.000 0.253 1160 G C 0.064 174.915 174.900 -0.083 0.000 0.979 1160 G CA -0.005 45.031 45.100 -0.106 0.000 0.641 1160 G HN 0.781 nan 8.290 nan 0.000 0.530 1161 V N 2.101 121.940 119.914 -0.125 0.000 2.432 1161 V HA 0.423 4.539 4.120 -0.007 0.000 0.271 1161 V C -1.314 174.749 176.094 -0.052 0.000 1.046 1161 V CA -1.461 60.802 62.300 -0.061 0.000 0.945 1161 V CB 1.155 32.950 31.823 -0.048 0.000 0.992 1161 V HN 0.141 nan 8.190 nan 0.000 0.471 1162 P HA 0.205 nan 4.420 nan 0.000 0.265 1162 P C 0.813 178.100 177.300 -0.023 0.000 1.193 1162 P CA 0.124 63.211 63.100 -0.023 0.000 0.765 1162 P CB 0.712 32.405 31.700 -0.012 0.000 0.823 1163 I N 1.477 122.031 120.570 -0.027 0.000 2.400 1163 I HA -0.053 4.113 4.170 -0.007 0.000 0.248 1163 I C 1.192 177.290 176.117 -0.032 0.000 1.109 1163 I CA 0.319 61.601 61.300 -0.030 0.000 1.425 1163 I CB -0.488 37.490 38.000 -0.036 0.000 1.094 1163 I HN 0.346 nan 8.210 nan 0.000 0.425 1164 A N 1.010 123.813 122.820 -0.029 0.000 2.587 1164 A HA 0.273 4.589 4.320 -0.007 0.000 0.235 1164 A C 1.501 179.069 177.584 -0.026 0.000 1.044 1164 A CA 0.904 52.922 52.037 -0.032 0.000 0.754 1164 A CB -0.554 18.433 19.000 -0.021 0.000 0.968 1164 A HN 0.771 nan 8.150 nan 0.000 0.509 1165 G N 1.863 110.642 108.800 -0.034 0.000 2.304 1165 G HA2 -0.275 3.681 3.960 -0.007 0.000 0.252 1165 G HA3 -0.275 3.681 3.960 -0.007 0.000 0.252 1165 G C 0.599 175.494 174.900 -0.009 0.000 1.014 1165 G CA 0.707 45.795 45.100 -0.021 0.000 0.619 1165 G HN 0.952 nan 8.290 nan 0.000 0.525 1166 R N 0.096 120.590 120.500 -0.009 0.000 2.560 1166 R HA 0.478 4.813 4.340 -0.007 0.000 0.270 1166 R C -0.187 176.126 176.300 0.022 0.000 1.074 1166 R CA -0.471 55.641 56.100 0.019 0.000 1.140 1166 R CB 0.504 30.815 30.300 0.019 0.000 1.073 1166 R HN 0.459 nan 8.270 nan 0.000 0.527 1167 H N 0.152 119.212 119.070 -0.018 0.000 2.640 1167 H HA 0.383 4.935 4.556 -0.007 0.000 0.297 1167 H C -1.025 174.296 175.328 -0.012 0.000 1.073 1167 H CA -0.297 55.739 56.048 -0.019 0.000 1.305 1167 H CB 0.913 30.667 29.762 -0.014 0.000 1.404 1167 H HN 0.653 nan 8.280 nan 0.000 0.459 1168 A N 4.735 127.550 122.820 -0.008 0.000 2.324 1168 A HA 0.570 4.886 4.320 -0.007 0.000 0.330 1168 A C -0.982 176.653 177.584 0.085 0.000 1.165 1168 A CA -0.683 51.381 52.037 0.045 0.000 0.813 1168 A CB 1.094 20.079 19.000 -0.025 0.000 1.197 1168 A HN 0.533 nan 8.150 nan 0.000 0.484 1169 V N 2.691 122.678 119.914 0.121 0.000 2.448 1169 V HA 0.444 4.560 4.120 -0.007 0.000 0.295 1169 V C -0.507 175.638 176.094 0.086 0.000 1.025 1169 V CA -0.477 61.894 62.300 0.119 0.000 0.859 1169 V CB 1.627 33.527 31.823 0.129 0.000 0.988 1169 V HN 0.631 nan 8.190 nan 0.000 0.431 1170 V N 5.645 125.608 119.914 0.081 0.000 2.378 1170 V HA 0.379 4.495 4.120 -0.007 0.000 0.288 1170 V C -0.191 175.949 176.094 0.077 0.000 1.016 1170 V CA -0.586 61.761 62.300 0.078 0.000 0.840 1170 V CB 1.892 33.769 31.823 0.090 0.000 0.994 1170 V HN 0.625 nan 8.190 nan 0.000 0.431 1171 V N 4.471 124.431 119.914 0.077 0.000 2.334 1171 V HA 0.891 5.007 4.120 -0.007 0.000 0.267 1171 V C 0.668 176.807 176.094 0.075 0.000 1.040 1171 V CA 0.332 62.678 62.300 0.077 0.000 0.866 1171 V CB 0.420 32.301 31.823 0.097 0.000 1.019 1171 V HN 1.238 nan 8.190 nan 0.000 0.468 1172 G N 4.942 113.793 108.800 0.084 0.000 2.528 1172 G HA2 0.085 4.041 3.960 -0.007 0.000 0.681 1172 G HA3 0.085 4.041 3.960 -0.007 0.000 0.681 1172 G C -0.480 174.469 174.900 0.081 0.000 1.340 1172 G CA -0.444 44.705 45.100 0.082 0.000 0.855 1172 G HN 1.003 nan 8.290 nan 0.000 0.649 1173 R N -0.099 120.444 120.500 0.070 0.000 2.617 1173 R HA 0.534 4.870 4.340 -0.007 0.000 0.432 1173 R C 0.710 177.024 176.300 0.023 0.000 1.018 1173 R CA 0.136 56.263 56.100 0.046 0.000 1.077 1173 R CB 0.142 30.466 30.300 0.040 0.000 1.394 1173 R HN 1.073 nan 8.270 nan 0.000 0.608 1174 S N 0.161 115.877 115.700 0.027 0.000 2.614 1174 S HA 0.220 4.686 4.470 -0.007 0.000 0.265 1174 S C 0.847 175.458 174.600 0.017 0.000 1.303 1174 S CA -0.726 57.484 58.200 0.016 0.000 1.000 1174 S CB 1.762 64.971 63.200 0.015 0.000 0.935 1174 S HN 0.363 nan 8.310 nan 0.000 0.551 1175 K N 0.090 120.497 120.400 0.012 0.000 2.097 1175 K HA -0.030 4.286 4.320 -0.007 0.000 0.206 1175 K C 1.720 178.330 176.600 0.016 0.000 1.049 1175 K CA 1.141 57.437 56.287 0.014 0.000 0.933 1175 K CB -0.334 32.170 32.500 0.008 0.000 0.717 1175 K HN 0.532 nan 8.250 nan 0.000 0.442 1176 I N 0.249 120.825 120.570 0.009 0.000 2.286 1176 I HA -0.151 4.015 4.170 -0.007 0.000 0.245 1176 I C 1.985 178.108 176.117 0.010 0.000 1.104 1176 I CA 1.348 62.650 61.300 0.003 0.000 1.397 1176 I CB -0.652 37.343 38.000 -0.008 0.000 1.072 1176 I HN -0.070 nan 8.210 nan 0.000 0.417 1177 V N -0.327 119.598 119.914 0.018 0.000 3.668 1177 V HA 0.333 4.448 4.120 -0.007 0.000 0.199 1177 V C 2.372 178.491 176.094 0.042 0.000 1.241 1177 V CA 0.831 63.146 62.300 0.025 0.000 1.308 1177 V CB -0.990 30.843 31.823 0.017 0.000 1.411 1177 V HN 0.254 nan 8.190 nan 0.000 0.535 1178 G N 0.603 109.429 108.800 0.043 0.000 2.574 1178 G HA2 -0.308 3.648 3.960 -0.007 0.000 0.220 1178 G HA3 -0.308 3.648 3.960 -0.007 0.000 0.220 1178 G C 1.680 176.625 174.900 0.075 0.000 1.173 1178 G CA 2.052 47.187 45.100 0.059 0.000 0.772 1178 G HN 0.678 nan 8.290 nan 0.000 0.585 1179 A N 1.671 124.527 122.820 0.060 0.000 1.835 1179 A HA 0.018 4.334 4.320 -0.007 0.000 0.215 1179 A C 0.959 178.618 177.584 0.125 0.000 1.199 1179 A CA 2.266 54.343 52.037 0.067 0.000 0.615 1179 A CB -1.277 17.745 19.000 0.036 0.000 0.838 1179 A HN 0.430 nan 8.150 nan 0.000 0.444 1180 P HA -0.157 nan 4.420 nan 0.000 0.221 1180 P C 1.475 178.843 177.300 0.114 0.000 1.145 1180 P CA 1.518 64.686 63.100 0.115 0.000 0.795 1180 P CB -0.167 31.581 31.700 0.080 0.000 0.775 1181 M N -0.197 119.463 119.600 0.100 0.000 2.132 1181 M HA -0.144 4.332 4.480 -0.007 0.000 0.263 1181 M C 2.412 178.762 176.300 0.084 0.000 1.065 1181 M CA 1.588 56.935 55.300 0.078 0.000 1.122 1181 M CB -1.492 31.148 32.600 0.066 0.000 1.365 1181 M HN -0.043 nan 8.290 nan 0.000 0.411 1182 H N -0.365 118.717 119.070 0.020 0.000 2.352 1182 H HA -0.165 4.386 4.556 -0.007 0.000 0.299 1182 H C 1.102 176.423 175.328 -0.013 0.000 1.097 1182 H CA 2.230 58.274 56.048 -0.006 0.000 1.311 1182 H CB -0.337 29.425 29.762 -0.000 0.000 1.377 1182 H HN 0.350 nan 8.280 nan 0.000 0.504 1183 D N 0.965 121.424 120.400 0.098 0.000 2.117 1183 D HA -0.119 4.517 4.640 -0.007 0.000 0.197 1183 D C 2.716 179.081 176.300 0.108 0.000 0.987 1183 D CA 0.903 54.985 54.000 0.137 0.000 0.829 1183 D CB -0.349 40.627 40.800 0.293 0.000 0.961 1183 D HN 0.393 nan 8.370 nan 0.000 0.460 1184 L N 0.108 121.374 121.223 0.073 0.000 2.027 1184 L HA -0.118 4.218 4.340 -0.007 0.000 0.206 1184 L C 2.567 179.425 176.870 -0.019 0.000 1.074 1184 L CA 0.693 55.571 54.840 0.064 0.000 0.745 1184 L CB -0.393 41.693 42.059 0.046 0.000 0.898 1184 L HN 0.042 nan 8.230 nan 0.000 0.433 1185 L N -0.723 120.442 121.223 -0.097 0.000 2.046 1185 L HA -0.236 4.099 4.340 -0.007 0.000 0.208 1185 L C 2.571 179.282 176.870 -0.264 0.000 1.077 1185 L CA 0.769 55.520 54.840 -0.149 0.000 0.747 1185 L CB -0.477 41.500 42.059 -0.137 0.000 0.896 1185 L HN 0.242 nan 8.230 nan 0.000 0.432 1186 L N -0.605 120.332 121.223 -0.476 0.000 2.017 1186 L HA -0.171 4.165 4.340 -0.007 0.000 0.208 1186 L C 1.934 178.384 176.870 -0.700 0.000 1.073 1186 L CA 1.892 56.300 54.840 -0.720 0.000 0.745 1186 L CB -0.616 40.764 42.059 -1.133 0.000 0.894 1186 L HN 0.189 nan 8.230 nan 0.000 0.432 1187 W N -0.515 120.712 121.300 -0.122 0.000 3.077 1187 W HA 0.044 4.700 4.660 -0.007 0.000 0.245 1187 W C 1.628 178.110 176.519 -0.062 0.000 1.316 1187 W CA 0.013 57.312 57.345 -0.076 0.000 1.537 1187 W CB -0.282 29.143 29.460 -0.059 0.000 1.131 1187 W HN 0.187 nan 8.180 nan 0.000 0.695 1188 N N 0.932 119.642 118.700 0.017 0.000 2.238 1188 N HA -0.030 4.706 4.740 -0.007 0.000 0.222 1188 N C -0.093 175.392 175.510 -0.042 0.000 1.133 1188 N CA 0.232 53.285 53.050 0.006 0.000 0.854 1188 N CB -0.100 38.382 38.487 -0.008 0.000 1.041 1188 N HN 0.054 nan 8.380 nan 0.000 0.510 1189 N N -0.005 118.644 118.700 -0.086 0.000 2.782 1189 N HA -0.166 4.570 4.740 -0.007 0.000 0.251 1189 N C -0.279 175.155 175.510 -0.126 0.000 1.101 1189 N CA 0.761 53.745 53.050 -0.109 0.000 0.764 1189 N CB -1.440 37.017 38.487 -0.051 0.000 1.122 1189 N HN 0.335 nan 8.380 nan 0.000 0.561 1190 A N -0.341 122.385 122.820 -0.157 0.000 2.302 1190 A HA 0.611 4.926 4.320 -0.007 0.000 0.285 1190 A C 0.539 177.993 177.584 -0.217 0.000 1.105 1190 A CA -0.008 51.938 52.037 -0.152 0.000 0.816 1190 A CB 0.611 19.531 19.000 -0.133 0.000 1.067 1190 A HN 0.117 nan 8.150 nan 0.000 0.489 1191 T N 1.859 116.276 114.554 -0.228 0.000 2.723 1191 T HA 0.450 4.796 4.350 -0.007 0.000 0.297 1191 T C -0.136 174.288 174.700 -0.461 0.000 0.925 1191 T CA -0.072 61.843 62.100 -0.308 0.000 1.030 1191 T CB 0.092 68.796 68.868 -0.273 0.000 0.905 1191 T HN 0.416 nan 8.240 nan 0.000 0.502 1192 V N 3.991 123.701 119.914 -0.339 0.000 2.483 1192 V HA 0.519 4.635 4.120 -0.007 0.000 0.295 1192 V C 0.433 176.450 176.094 -0.128 0.000 1.035 1192 V CA -0.800 61.355 62.300 -0.243 0.000 0.896 1192 V CB 1.807 33.527 31.823 -0.171 0.000 0.986 1192 V HN 0.838 nan 8.190 nan 0.000 0.447 1193 T N 2.818 117.342 114.554 -0.050 0.000 2.809 1193 T HA 0.409 4.755 4.350 -0.007 0.000 0.284 1193 T C -0.068 174.677 174.700 0.076 0.000 0.992 1193 T CA -0.292 61.843 62.100 0.059 0.000 0.957 1193 T CB 1.225 70.208 68.868 0.191 0.000 0.942 1193 T HN 0.722 nan 8.240 nan 0.000 0.439 1194 T N 3.177 117.772 114.554 0.068 0.000 2.767 1194 T HA 0.451 4.797 4.350 -0.007 0.000 0.284 1194 T C 0.071 174.787 174.700 0.026 0.000 0.973 1194 T CA -0.438 61.702 62.100 0.066 0.000 0.996 1194 T CB 0.197 69.096 68.868 0.052 0.000 0.927 1194 T HN 0.660 nan 8.240 nan 0.000 0.456 1195 C N 3.333 122.631 119.300 -0.003 0.000 2.401 1195 C HA 0.930 5.386 4.460 -0.007 0.000 0.356 1195 C C 0.184 175.119 174.990 -0.092 0.000 1.192 1195 C CA -0.603 58.325 59.018 -0.151 0.000 2.028 1195 C CB 0.536 28.224 27.740 -0.087 0.000 2.344 1195 C HN 1.195 nan 8.230 nan 0.000 0.525 1196 H N -2.269 116.814 119.070 0.022 0.000 3.054 1196 H HA 0.365 4.917 4.556 -0.007 0.000 0.271 1196 H C 0.720 176.060 175.328 0.019 0.000 1.551 1196 H CA 0.062 56.122 56.048 0.020 0.000 1.196 1196 H CB -0.163 29.603 29.762 0.008 0.000 1.867 1196 H HN 0.378 nan 8.280 nan 0.000 0.637 1197 S N -0.770 115.073 115.700 0.239 0.000 2.469 1197 S HA -0.096 4.370 4.470 -0.007 0.000 0.238 1197 S C 0.876 175.562 174.600 0.143 0.000 0.998 1197 S CA 0.894 59.180 58.200 0.143 0.000 0.957 1197 S CB -0.290 62.971 63.200 0.102 0.000 0.764 1197 S HN 0.493 nan 8.310 nan 0.000 0.514 1198 K N 1.269 121.853 120.400 0.306 0.000 2.372 1198 K HA 0.222 4.538 4.320 -0.007 0.000 0.200 1198 K C -0.113 176.506 176.600 0.031 0.000 1.022 1198 K CA 0.078 56.479 56.287 0.190 0.000 1.125 1198 K CB 0.262 32.919 32.500 0.262 0.000 0.855 1198 K HN 0.305 nan 8.250 nan 0.000 0.524 1199 T N 2.143 116.605 114.554 -0.153 0.000 2.814 1199 T HA 0.285 4.631 4.350 -0.007 0.000 0.297 1199 T C 0.138 174.749 174.700 -0.148 0.000 0.956 1199 T CA -0.203 61.758 62.100 -0.232 0.000 1.123 1199 T CB 0.998 69.675 68.868 -0.319 0.000 0.902 1199 T HN 0.168 nan 8.240 nan 0.000 0.528 1200 A N 3.155 125.887 122.820 -0.148 0.000 2.340 1200 A HA 0.467 4.783 4.320 -0.007 0.000 0.268 1200 A C 0.242 177.704 177.584 -0.203 0.000 1.100 1200 A CA -0.531 51.361 52.037 -0.242 0.000 0.803 1200 A CB -0.418 18.421 19.000 -0.269 0.000 1.043 1200 A HN 1.098 nan 8.150 nan 0.000 0.488 1201 H N -0.545 118.449 119.070 -0.128 0.000 2.604 1201 H HA -0.174 4.377 4.556 -0.007 0.000 0.321 1201 H C 0.673 175.847 175.328 -0.258 0.000 1.132 1201 H CA 0.413 56.350 56.048 -0.184 0.000 1.129 1201 H CB -1.299 28.373 29.762 -0.149 0.000 1.526 1201 H HN 0.602 nan 8.280 nan 0.000 0.415 1202 L N 1.459 122.547 121.223 -0.224 0.000 2.079 1202 L HA -0.189 4.147 4.340 -0.007 0.000 0.210 1202 L C 2.304 178.845 176.870 -0.548 0.000 1.081 1202 L CA 2.450 57.115 54.840 -0.292 0.000 0.752 1202 L CB -0.329 41.608 42.059 -0.205 0.000 0.896 1202 L HN 0.660 nan 8.230 nan 0.000 0.433 1203 D N -0.989 118.826 120.400 -0.975 0.000 2.117 1203 D HA -0.266 4.370 4.640 -0.007 0.000 0.197 1203 D C 1.703 177.656 176.300 -0.578 0.000 0.987 1203 D CA 1.783 54.957 54.000 -1.376 0.000 0.829 1203 D CB -0.512 39.327 40.800 -1.602 0.000 0.961 1203 D HN 0.574 nan 8.370 nan 0.000 0.460 1204 E N 0.255 120.237 120.200 -0.362 0.000 2.152 1204 E HA -0.104 4.242 4.350 -0.007 0.000 0.192 1204 E C 2.104 178.608 176.600 -0.161 0.000 0.983 1204 E CA 0.635 56.905 56.400 -0.215 0.000 0.818 1204 E CB 0.133 29.724 29.700 -0.182 0.000 0.758 1204 E HN 0.339 nan 8.360 nan 0.000 0.467 1205 E N 0.494 120.603 120.200 -0.152 0.000 2.046 1205 E HA -0.107 4.239 4.350 -0.007 0.000 0.190 1205 E C 2.360 178.922 176.600 -0.063 0.000 0.982 1205 E CA 0.631 56.975 56.400 -0.094 0.000 0.800 1205 E CB -0.222 29.433 29.700 -0.075 0.000 0.756 1205 E HN 0.107 nan 8.360 nan 0.000 0.449 1206 V N 2.751 122.633 119.914 -0.052 0.000 2.392 1206 V HA -0.231 3.885 4.120 -0.007 0.000 0.249 1206 V C 2.197 178.316 176.094 0.043 0.000 1.059 1206 V CA 1.589 63.920 62.300 0.053 0.000 1.051 1206 V CB -0.633 31.312 31.823 0.203 0.000 0.658 1206 V HN 0.334 nan 8.190 nan 0.000 0.455 1207 N N 0.109 118.802 118.700 -0.011 0.000 2.573 1207 N HA -0.133 4.602 4.740 -0.007 0.000 0.187 1207 N C 1.393 176.874 175.510 -0.049 0.000 1.107 1207 N CA 0.638 53.682 53.050 -0.011 0.000 0.918 1207 N CB 0.117 38.580 38.487 -0.041 0.000 0.966 1207 N HN 0.413 nan 8.380 nan 0.000 0.448 1208 K N -0.008 120.336 120.400 -0.094 0.000 2.367 1208 K HA 0.116 4.432 4.320 -0.007 0.000 0.194 1208 K C 0.670 177.169 176.600 -0.168 0.000 1.027 1208 K CA -0.038 56.133 56.287 -0.194 0.000 1.075 1208 K CB 0.464 32.754 32.500 -0.350 0.000 0.845 1208 K HN 0.036 nan 8.250 nan 0.000 0.529 1209 G N 1.801 110.589 108.800 -0.021 0.000 2.333 1209 G HA2 0.089 4.045 3.960 -0.007 0.000 0.290 1209 G HA3 0.089 4.045 3.960 -0.007 0.000 0.290 1209 G C 0.104 175.046 174.900 0.071 0.000 1.150 1209 G CA -0.425 44.722 45.100 0.079 0.000 0.895 1209 G HN -0.041 nan 8.290 nan 0.000 0.444 1210 D N 1.700 122.151 120.400 0.086 0.000 2.234 1210 D HA -0.025 4.611 4.640 -0.007 0.000 0.205 1210 D C 0.849 177.193 176.300 0.073 0.000 0.962 1210 D CA 1.092 55.135 54.000 0.071 0.000 0.855 1210 D CB 0.681 41.523 40.800 0.069 0.000 0.951 1210 D HN 0.352 nan 8.370 nan 0.000 0.500 1211 I N 1.029 121.643 120.570 0.074 0.000 2.466 1211 I HA 0.252 4.418 4.170 -0.007 0.000 0.289 1211 I C -1.143 175.016 176.117 0.070 0.000 1.026 1211 I CA -0.946 60.390 61.300 0.060 0.000 1.078 1211 I CB 2.699 40.719 38.000 0.033 0.000 1.249 1211 I HN -0.244 nan 8.210 nan 0.000 0.429 1212 L N 8.199 129.465 121.223 0.070 0.000 2.376 1212 L HA 0.654 4.990 4.340 -0.007 0.000 0.275 1212 L C -1.314 175.596 176.870 0.066 0.000 0.987 1212 L CA -0.407 54.479 54.840 0.076 0.000 0.828 1212 L CB 1.826 43.938 42.059 0.087 0.000 1.249 1212 L HN 0.310 nan 8.230 nan 0.000 0.409 1213 V N 5.808 125.760 119.914 0.063 0.000 2.378 1213 V HA 0.567 4.683 4.120 -0.007 0.000 0.288 1213 V C -0.497 175.633 176.094 0.060 0.000 1.016 1213 V CA -0.661 61.672 62.300 0.055 0.000 0.840 1213 V CB 1.753 33.603 31.823 0.045 0.000 0.994 1213 V HN 0.510 nan 8.190 nan 0.000 0.431 1214 V N 3.756 123.702 119.914 0.055 0.000 2.417 1214 V HA 0.839 4.954 4.120 -0.007 0.000 0.291 1214 V C 0.307 176.424 176.094 0.037 0.000 1.024 1214 V CA -0.351 61.982 62.300 0.054 0.000 0.861 1214 V CB 1.629 33.484 31.823 0.054 0.000 0.985 1214 V HN 0.986 nan 8.190 nan 0.000 0.436 1215 A N 2.801 125.644 122.820 0.039 0.000 2.984 1215 A HA 0.596 4.912 4.320 -0.007 0.000 0.320 1215 A C 0.508 178.109 177.584 0.029 0.000 1.142 1215 A CA 0.303 52.355 52.037 0.025 0.000 0.772 1215 A CB 0.857 19.872 19.000 0.026 0.000 1.195 1215 A HN 0.898 nan 8.150 nan 0.000 0.459 1216 T N -3.159 111.409 114.554 0.024 0.000 2.964 1216 T HA 0.441 4.787 4.350 -0.007 0.000 0.249 1216 T C 1.467 176.176 174.700 0.014 0.000 1.000 1216 T CA 0.925 63.043 62.100 0.029 0.000 0.992 1216 T CB 0.185 69.079 68.868 0.043 0.000 1.087 1216 T HN 2.109 nan 8.240 nan 0.000 0.489 1217 G N 1.802 110.600 108.800 -0.003 0.000 2.143 1217 G HA2 -0.188 3.768 3.960 -0.007 0.000 0.249 1217 G HA3 -0.188 3.768 3.960 -0.007 0.000 0.249 1217 G C -0.173 174.719 174.900 -0.014 0.000 0.981 1217 G CA -0.072 45.019 45.100 -0.016 0.000 0.665 1217 G HN 0.621 nan 8.290 nan 0.000 0.528 1218 Q N 0.847 120.642 119.800 -0.008 0.000 2.431 1218 Q HA 0.326 4.662 4.340 -0.007 0.000 0.249 1218 Q C -2.425 173.559 176.000 -0.028 0.000 1.025 1218 Q CA -2.014 53.785 55.803 -0.008 0.000 0.835 1218 Q CB 1.927 30.671 28.738 0.010 0.000 1.207 1218 Q HN 0.381 nan 8.270 nan 0.000 0.490 1219 P HA -0.129 nan 4.420 nan 0.000 0.256 1219 P C -0.367 176.900 177.300 -0.056 0.000 1.173 1219 P CA 0.630 63.701 63.100 -0.048 0.000 0.768 1219 P CB 0.336 32.012 31.700 -0.041 0.000 0.758 1220 E N 0.815 120.975 120.200 -0.067 0.000 2.539 1220 E HA -0.279 4.067 4.350 -0.007 0.000 0.253 1220 E C 0.920 177.427 176.600 -0.154 0.000 1.145 1220 E CA 0.422 56.766 56.400 -0.094 0.000 0.738 1220 E CB -1.493 28.164 29.700 -0.072 0.000 1.308 1220 E HN 0.563 nan 8.360 nan 0.000 0.409 1221 M N 0.088 119.598 119.600 -0.149 0.000 2.132 1221 M HA -0.087 4.389 4.480 -0.007 0.000 0.263 1221 M C 0.713 176.696 176.300 -0.529 0.000 1.065 1221 M CA 1.393 56.569 55.300 -0.207 0.000 1.122 1221 M CB 0.431 32.989 32.600 -0.070 0.000 1.365 1221 M HN 0.014 nan 8.290 nan 0.000 0.411 1222 V N 4.340 123.963 119.914 -0.485 0.000 2.390 1222 V HA 0.035 4.151 4.120 -0.007 0.000 0.260 1222 V C 0.116 175.742 176.094 -0.779 0.000 1.043 1222 V CA -0.124 61.711 62.300 -0.776 0.000 1.047 1222 V CB -0.429 31.281 31.823 -0.189 0.000 1.066 1222 V HN 0.227 nan 8.190 nan 0.000 0.481 1223 K N 3.764 123.361 120.400 -1.338 0.000 2.202 1223 K HA 0.248 4.564 4.320 -0.007 0.000 0.264 1223 K C 1.554 177.906 176.600 -0.414 0.000 1.010 1223 K CA 0.298 56.131 56.287 -0.757 0.000 0.940 1223 K CB 0.831 32.908 32.500 -0.705 0.000 0.983 1223 K HN 0.614 nan 8.250 nan 0.000 0.475 1224 G N 1.112 109.792 108.800 -0.201 0.000 2.450 1224 G HA2 -0.294 3.662 3.960 -0.007 0.000 0.220 1224 G HA3 -0.294 3.662 3.960 -0.007 0.000 0.220 1224 G C 1.348 176.248 174.900 0.000 0.000 1.130 1224 G CA 0.774 45.822 45.100 -0.086 0.000 0.760 1224 G HN 0.664 nan 8.290 nan 0.000 0.557 1225 E N 0.000 120.220 120.200 0.034 0.000 2.153 1225 E HA -0.119 4.227 4.350 -0.007 0.000 0.194 1225 E C 2.003 178.773 176.600 0.282 0.000 0.988 1225 E CA 0.982 57.468 56.400 0.144 0.000 0.811 1225 E CB -0.297 29.510 29.700 0.178 0.000 0.746 1225 E HN 0.590 nan 8.360 nan 0.000 0.466 1226 W N 0.717 122.011 121.300 -0.009 0.000 2.436 1226 W HA 0.077 4.733 4.660 -0.007 0.000 0.284 1226 W C 0.374 176.887 176.519 -0.010 0.000 1.225 1226 W CA -0.200 57.140 57.345 -0.008 0.000 1.271 1226 W CB -0.660 28.799 29.460 -0.001 0.000 1.114 1226 W HN -0.039 nan 8.180 nan 0.000 0.559 1227 I N 2.150 122.852 120.570 0.220 0.000 2.775 1227 I HA -0.115 4.051 4.170 -0.007 0.000 0.290 1227 I C 0.832 176.995 176.117 0.077 0.000 1.203 1227 I CA -0.536 60.835 61.300 0.119 0.000 1.433 1227 I CB -0.625 37.411 38.000 0.060 0.000 1.354 1227 I HN -0.098 nan 8.210 nan 0.000 0.579 1228 K N 7.916 128.351 120.400 0.058 0.000 2.322 1228 K HA 0.274 4.590 4.320 -0.007 0.000 0.283 1228 K C -2.396 174.219 176.600 0.025 0.000 1.042 1228 K CA -1.395 54.911 56.287 0.031 0.000 0.958 1228 K CB 0.664 33.176 32.500 0.020 0.000 0.984 1228 K HN 0.229 nan 8.250 nan 0.000 0.473 1229 P HA -0.006 nan 4.420 nan 0.000 0.261 1229 P C -0.025 177.280 177.300 0.009 0.000 1.203 1229 P CA 0.922 64.025 63.100 0.005 0.000 0.767 1229 P CB 0.594 32.294 31.700 -0.001 0.000 0.785 1230 G N 2.336 111.140 108.800 0.007 0.000 2.141 1230 G HA2 -0.120 3.836 3.960 -0.007 0.000 0.242 1230 G HA3 -0.120 3.836 3.960 -0.007 0.000 0.242 1230 G C 0.413 175.347 174.900 0.057 0.000 0.982 1230 G CA -0.131 44.980 45.100 0.019 0.000 0.662 1230 G HN 0.809 nan 8.290 nan 0.000 0.527 1231 A N -0.357 122.497 122.820 0.057 0.000 2.332 1231 A HA 0.747 5.063 4.320 -0.007 0.000 0.258 1231 A C 0.506 178.161 177.584 0.118 0.000 1.087 1231 A CA -0.160 51.925 52.037 0.080 0.000 0.802 1231 A CB 0.453 19.493 19.000 0.066 0.000 1.042 1231 A HN 0.760 nan 8.150 nan 0.000 0.489 1232 I N 1.654 122.301 120.570 0.128 0.000 2.304 1232 I HA 0.247 4.413 4.170 -0.007 0.000 0.291 1232 I C -0.756 175.424 176.117 0.106 0.000 1.018 1232 I CA -0.300 61.090 61.300 0.151 0.000 1.260 1232 I CB 1.327 39.384 38.000 0.096 0.000 1.390 1232 I HN 0.228 nan 8.210 nan 0.000 0.475 1233 V N 7.670 127.651 119.914 0.112 0.000 2.370 1233 V HA 0.391 4.507 4.120 -0.007 0.000 0.283 1233 V C 0.062 176.209 176.094 0.088 0.000 1.023 1233 V CA -0.554 61.799 62.300 0.089 0.000 0.857 1233 V CB 1.634 33.503 31.823 0.076 0.000 0.985 1233 V HN 0.402 nan 8.190 nan 0.000 0.443 1234 I N 3.831 124.443 120.570 0.070 0.000 2.355 1234 I HA 0.421 4.587 4.170 -0.007 0.000 0.288 1234 I C -0.428 175.719 176.117 0.051 0.000 0.999 1234 I CA -0.380 60.955 61.300 0.058 0.000 1.163 1234 I CB 1.513 39.538 38.000 0.042 0.000 1.316 1234 I HN 0.551 nan 8.210 nan 0.000 0.454 1235 D N 5.406 125.835 120.400 0.048 0.000 2.427 1235 D HA 0.269 4.905 4.640 -0.007 0.000 0.226 1235 D C 0.466 176.772 176.300 0.010 0.000 1.076 1235 D CA -0.302 53.717 54.000 0.032 0.000 0.849 1235 D CB 1.279 42.104 40.800 0.041 0.000 1.052 1235 D HN 0.496 nan 8.370 nan 0.000 0.515 1236 C N 2.899 122.202 119.300 0.004 0.000 2.626 1236 C HA 0.349 4.804 4.460 -0.007 0.000 0.266 1236 C C 1.474 176.446 174.990 -0.030 0.000 1.317 1236 C CA -0.262 58.750 59.018 -0.009 0.000 1.716 1236 C CB -0.893 26.846 27.740 -0.002 0.000 1.819 1236 C HN 0.669 nan 8.230 nan 0.000 0.578 1237 G N 0.721 109.501 108.800 -0.035 0.000 2.380 1237 G HA2 0.427 4.383 3.960 -0.007 0.000 0.242 1237 G HA3 0.427 4.383 3.960 -0.007 0.000 0.242 1237 G C -0.451 174.387 174.900 -0.103 0.000 1.298 1237 G CA 0.105 45.168 45.100 -0.062 0.000 0.878 1237 G HN 0.506 nan 8.290 nan 0.000 0.542 1238 I N 2.908 123.386 120.570 -0.153 0.000 2.641 1238 I HA 0.169 4.335 4.170 -0.007 0.000 0.275 1238 I C -0.754 175.106 176.117 -0.428 0.000 1.129 1238 I CA -0.607 60.533 61.300 -0.266 0.000 1.094 1238 I CB 0.802 38.674 38.000 -0.212 0.000 1.232 1238 I HN 0.373 nan 8.210 nan 0.000 0.503 1239 N N 5.119 123.578 118.700 -0.402 0.000 2.342 1239 N HA 0.418 5.154 4.740 -0.007 0.000 0.293 1239 N C -1.187 174.085 175.510 -0.397 0.000 1.026 1239 N CA -0.530 52.302 53.050 -0.364 0.000 0.857 1239 N CB 2.171 40.562 38.487 -0.160 0.000 1.256 1239 N HN 0.286 nan 8.380 nan 0.000 0.484 1240 Y N 0.395 120.696 120.300 0.002 0.000 2.308 1240 Y HA 0.433 4.979 4.550 -0.007 0.000 0.329 1240 Y C 0.409 176.308 175.900 -0.001 0.000 1.111 1240 Y CA -0.681 57.419 58.100 0.000 0.000 1.179 1240 Y CB 1.269 39.732 38.460 0.004 0.000 1.201 1240 Y HN 0.087 nan 8.280 nan 0.000 0.483 1241 V N 4.280 124.292 119.914 0.164 0.000 2.655 1241 V HA 0.283 4.398 4.120 -0.007 0.000 0.301 1241 V C -2.576 173.560 176.094 0.071 0.000 1.082 1241 V CA -2.385 59.966 62.300 0.085 0.000 0.899 1241 V CB 1.919 33.769 31.823 0.045 0.000 1.014 1241 V HN 0.572 nan 8.190 nan 0.000 0.429 1242 P HA 0.222 nan 4.420 nan 0.000 0.265 1242 P C -0.883 176.432 177.300 0.025 0.000 1.193 1242 P CA 0.404 63.522 63.100 0.031 0.000 0.765 1242 P CB 0.372 32.084 31.700 0.021 0.000 0.823 1243 D N 1.756 122.167 120.400 0.019 0.000 2.354 1243 D HA 0.045 4.681 4.640 -0.007 0.000 0.230 1243 D C -0.041 176.264 176.300 0.009 0.000 1.361 1243 D CA -0.333 53.676 54.000 0.015 0.000 0.992 1243 D CB 0.331 41.142 40.800 0.018 0.000 1.409 1243 D HN 0.250 nan 8.370 nan 0.000 0.573 1244 D N 1.781 122.184 120.400 0.006 0.000 2.378 1244 D HA -0.110 4.526 4.640 -0.007 0.000 0.222 1244 D C 0.933 177.234 176.300 0.002 0.000 0.980 1244 D CA 0.797 54.799 54.000 0.002 0.000 0.907 1244 D CB 0.178 40.979 40.800 0.001 0.000 0.899 1244 D HN 0.271 nan 8.370 nan 0.000 0.527 1245 K N -0.422 119.981 120.400 0.004 0.000 2.444 1245 K HA 0.076 4.392 4.320 -0.007 0.000 0.193 1245 K C 0.247 176.850 176.600 0.004 0.000 1.024 1245 K CA 0.097 56.386 56.287 0.004 0.000 1.077 1245 K CB 0.349 32.852 32.500 0.005 0.000 0.833 1245 K HN 0.004 nan 8.250 nan 0.000 0.517 1246 K N 0.494 120.897 120.400 0.004 0.000 2.123 1246 K HA 0.180 4.496 4.320 -0.007 0.000 0.259 1246 K C -2.031 174.569 176.600 0.000 0.000 0.960 1246 K CA -2.234 54.055 56.287 0.004 0.000 0.872 1246 K CB 1.225 33.730 32.500 0.009 0.000 1.079 1246 K HN -0.302 nan 8.250 nan 0.000 0.440 1247 P HA -0.191 nan 4.420 nan 0.000 0.217 1247 P C 0.451 177.746 177.300 -0.009 0.000 1.151 1247 P CA 1.519 64.616 63.100 -0.004 0.000 0.849 1247 P CB 0.246 31.944 31.700 -0.004 0.000 0.787 1248 N N -2.158 116.536 118.700 -0.011 0.000 2.238 1248 N HA 0.154 4.890 4.740 -0.007 0.000 0.222 1248 N C 0.950 176.446 175.510 -0.022 0.000 1.133 1248 N CA 0.356 53.394 53.050 -0.021 0.000 0.854 1248 N CB -0.776 37.692 38.487 -0.031 0.000 1.041 1248 N HN 0.120 nan 8.380 nan 0.000 0.510 1249 G N 1.056 109.849 108.800 -0.011 0.000 2.179 1249 G HA2 -0.344 3.611 3.960 -0.007 0.000 0.257 1249 G HA3 -0.344 3.611 3.960 -0.007 0.000 0.257 1249 G C -0.208 174.691 174.900 -0.002 0.000 1.010 1249 G CA 0.573 45.669 45.100 -0.008 0.000 0.736 1249 G HN 0.914 nan 8.290 nan 0.000 0.513 1250 R N -1.368 119.135 120.500 0.005 0.000 2.594 1250 R HA 0.659 4.995 4.340 -0.007 0.000 0.265 1250 R C -0.516 175.820 176.300 0.060 0.000 1.070 1250 R CA -0.800 55.318 56.100 0.030 0.000 0.909 1250 R CB 1.161 31.465 30.300 0.006 0.000 1.243 1250 R HN 0.378 nan 8.270 nan 0.000 0.455 1251 K N 1.256 121.707 120.400 0.085 0.000 2.221 1251 K HA 0.648 4.964 4.320 -0.007 0.000 0.243 1251 K C -1.074 175.602 176.600 0.126 0.000 0.968 1251 K CA -1.031 55.304 56.287 0.080 0.000 0.846 1251 K CB 2.325 34.847 32.500 0.037 0.000 1.141 1251 K HN 0.268 nan 8.250 nan 0.000 0.434 1252 V N 1.881 121.840 119.914 0.074 0.000 2.417 1252 V HA 0.423 4.539 4.120 -0.007 0.000 0.291 1252 V C -0.274 175.784 176.094 -0.060 0.000 1.024 1252 V CA -0.823 61.477 62.300 0.000 0.000 0.861 1252 V CB 1.062 32.890 31.823 0.007 0.000 0.985 1252 V HN 0.701 nan 8.190 nan 0.000 0.436 1253 V N 1.834 121.692 119.914 -0.093 0.000 2.864 1253 V HA 1.045 5.161 4.120 -0.007 0.000 0.314 1253 V C 0.449 176.484 176.094 -0.098 0.000 1.073 1253 V CA -0.150 62.102 62.300 -0.081 0.000 0.956 1253 V CB 1.569 33.361 31.823 -0.051 0.000 1.023 1253 V HN 0.865 nan 8.190 nan 0.000 0.435 1254 G N 0.713 109.469 108.800 -0.073 0.000 2.509 1254 G HA2 0.383 4.339 3.960 -0.007 0.000 0.269 1254 G HA3 0.383 4.339 3.960 -0.007 0.000 0.269 1254 G C -0.069 174.800 174.900 -0.052 0.000 1.416 1254 G CA 0.005 45.068 45.100 -0.062 0.000 1.052 1254 G HN 0.768 nan 8.290 nan 0.000 0.542 1255 D N -1.187 119.191 120.400 -0.038 0.000 2.339 1255 D HA 0.127 4.763 4.640 -0.007 0.000 0.217 1255 D C 0.508 176.778 176.300 -0.050 0.000 1.050 1255 D CA 0.315 54.292 54.000 -0.038 0.000 0.856 1255 D CB 0.802 41.591 40.800 -0.018 0.000 0.922 1255 D HN -0.012 nan 8.370 nan 0.000 0.518 1256 V N 0.932 120.827 119.914 -0.032 0.000 2.628 1256 V HA 0.528 4.644 4.120 -0.007 0.000 0.306 1256 V C 0.113 176.190 176.094 -0.028 0.000 1.045 1256 V CA -1.294 60.980 62.300 -0.044 0.000 0.905 1256 V CB 1.887 33.715 31.823 0.009 0.000 0.997 1256 V HN 0.024 nan 8.190 nan 0.000 0.436 1257 A N 3.446 126.215 122.820 -0.086 0.000 2.906 1257 A HA 0.205 4.521 4.320 -0.007 0.000 0.289 1257 A C 0.828 178.411 177.584 -0.001 0.000 1.675 1257 A CA -0.075 51.929 52.037 -0.056 0.000 1.372 1257 A CB -0.852 18.072 19.000 -0.126 0.000 1.091 1257 A HN 0.945 nan 8.150 nan 0.000 0.579 1258 Y N 2.136 122.399 120.300 -0.062 0.000 2.030 1258 Y HA -0.360 4.186 4.550 -0.007 0.000 0.272 1258 Y C 1.774 177.652 175.900 -0.036 0.000 1.185 1258 Y CA 2.832 60.907 58.100 -0.041 0.000 1.120 1258 Y CB 0.022 38.464 38.460 -0.031 0.000 0.955 1258 Y HN 0.703 nan 8.280 nan 0.000 0.495 1259 D N -0.273 120.136 120.400 0.016 0.000 2.158 1259 D HA -0.187 4.449 4.640 -0.007 0.000 0.197 1259 D C 1.841 178.059 176.300 -0.136 0.000 0.995 1259 D CA 1.966 55.924 54.000 -0.070 0.000 0.846 1259 D CB -0.140 40.675 40.800 0.026 0.000 0.941 1259 D HN 0.551 nan 8.370 nan 0.000 0.456 1260 E N -0.049 120.083 120.200 -0.114 0.000 2.307 1260 E HA 0.174 4.520 4.350 -0.007 0.000 0.195 1260 E C 1.895 178.421 176.600 -0.123 0.000 0.975 1260 E CA 0.520 56.858 56.400 -0.104 0.000 0.878 1260 E CB -0.059 29.594 29.700 -0.078 0.000 0.845 1260 E HN 0.173 nan 8.360 nan 0.000 0.488 1261 A N 1.791 124.522 122.820 -0.149 0.000 1.968 1261 A HA -0.174 4.142 4.320 -0.007 0.000 0.217 1261 A C 1.948 179.422 177.584 -0.184 0.000 1.169 1261 A CA 1.448 53.405 52.037 -0.132 0.000 0.638 1261 A CB -0.445 18.496 19.000 -0.098 0.000 0.812 1261 A HN 0.244 nan 8.150 nan 0.000 0.446 1262 K N -0.529 119.670 120.400 -0.334 0.000 2.362 1262 K HA -0.074 4.242 4.320 -0.007 0.000 0.200 1262 K C 0.819 177.292 176.600 -0.212 0.000 1.046 1262 K CA 1.358 57.425 56.287 -0.366 0.000 0.952 1262 K CB -0.010 32.103 32.500 -0.644 0.000 0.753 1262 K HN 0.276 nan 8.250 nan 0.000 0.466 1263 E N 0.727 120.829 120.200 -0.164 0.000 2.385 1263 E HA 0.017 4.363 4.350 -0.007 0.000 0.194 1263 E C 1.783 178.334 176.600 -0.082 0.000 1.013 1263 E CA 0.413 56.748 56.400 -0.110 0.000 0.866 1263 E CB 0.252 29.899 29.700 -0.087 0.000 0.832 1263 E HN 0.344 nan 8.360 nan 0.000 0.500 1264 R N 0.471 120.926 120.500 -0.075 0.000 2.123 1264 R HA 0.264 4.600 4.340 -0.007 0.000 0.209 1264 R C 1.146 177.423 176.300 -0.039 0.000 1.078 1264 R CA 0.447 56.520 56.100 -0.045 0.000 1.028 1264 R CB -0.282 30.004 30.300 -0.023 0.000 0.939 1264 R HN -0.012 nan 8.270 nan 0.000 0.463 1265 A N 1.011 123.805 122.820 -0.044 0.000 2.346 1265 A HA 0.177 4.493 4.320 -0.007 0.000 0.252 1265 A C 1.202 178.749 177.584 -0.061 0.000 1.089 1265 A CA 0.283 52.307 52.037 -0.021 0.000 0.797 1265 A CB 0.432 19.435 19.000 0.005 0.000 1.047 1265 A HN 0.360 nan 8.150 nan 0.000 0.494 1266 S N -0.825 114.851 115.700 -0.039 0.000 2.470 1266 S HA 0.350 4.816 4.470 -0.007 0.000 0.222 1266 S C -0.054 174.254 174.600 -0.487 0.000 1.024 1266 S CA 0.186 58.263 58.200 -0.204 0.000 0.931 1266 S CB -0.159 62.999 63.200 -0.070 0.000 0.791 1266 S HN 0.485 nan 8.310 nan 0.000 0.513 1267 F N 0.470 120.423 119.950 0.004 0.000 2.596 1267 F HA 0.682 5.205 4.527 -0.007 0.000 0.311 1267 F C -0.696 175.118 175.800 0.023 0.000 1.116 1267 F CA -1.020 56.989 58.000 0.015 0.000 0.957 1267 F CB 2.041 41.053 39.000 0.019 0.000 1.250 1267 F HN 0.041 nan 8.300 nan 0.000 0.444 1268 I N 1.984 122.680 120.570 0.211 0.000 2.752 1268 I HA 0.447 4.612 4.170 -0.007 0.000 0.295 1268 I C -0.928 175.314 176.117 0.208 0.000 1.219 1268 I CA -0.475 60.928 61.300 0.172 0.000 1.030 1268 I CB 2.365 40.425 38.000 0.099 0.000 1.259 1268 I HN 0.668 nan 8.210 nan 0.000 0.423 1269 T N 5.204 119.865 114.554 0.178 0.000 2.743 1269 T HA 0.565 4.911 4.350 -0.007 0.000 0.293 1269 T C -2.493 172.288 174.700 0.135 0.000 0.945 1269 T CA -1.501 60.679 62.100 0.134 0.000 1.030 1269 T CB 0.974 69.889 68.868 0.078 0.000 0.912 1269 T HN 0.338 nan 8.240 nan 0.000 0.483 1270 P HA 0.451 nan 4.420 nan 0.000 0.276 1270 P C -1.035 176.142 177.300 -0.204 0.000 1.252 1270 P CA -0.658 62.289 63.100 -0.254 0.000 0.802 1270 P CB 1.080 32.618 31.700 -0.271 0.000 1.035 1271 V N 2.422 122.155 119.914 -0.303 0.000 2.524 1271 V HA 0.317 4.433 4.120 -0.007 0.000 0.297 1271 V C -1.903 174.079 176.094 -0.186 0.000 1.035 1271 V CA -1.508 60.688 62.300 -0.174 0.000 0.867 1271 V CB 1.622 33.370 31.823 -0.125 0.000 1.004 1271 V HN 0.637 nan 8.190 nan 0.000 0.426 1272 P HA 0.484 nan 4.420 nan 0.000 0.278 1272 P C 0.609 177.865 177.300 -0.074 0.000 1.266 1272 P CA 0.425 63.481 63.100 -0.074 0.000 0.807 1272 P CB 1.460 33.143 31.700 -0.028 0.000 1.094 1273 G N -1.510 107.265 108.800 -0.042 0.000 2.148 1273 G HA2 -0.114 3.842 3.960 -0.007 0.000 0.203 1273 G HA3 -0.114 3.842 3.960 -0.007 0.000 0.203 1273 G C 0.551 175.439 174.900 -0.019 0.000 0.993 1273 G CA 0.205 45.288 45.100 -0.029 0.000 0.661 1273 G HN 0.874 nan 8.290 nan 0.000 0.518 1274 G N -0.461 108.326 108.800 -0.021 0.000 2.534 1274 G HA2 0.396 4.352 3.960 -0.007 0.000 0.224 1274 G HA3 0.396 4.352 3.960 -0.007 0.000 0.224 1274 G C 1.438 176.339 174.900 0.002 0.000 1.822 1274 G CA 1.088 46.188 45.100 -0.001 0.000 0.805 1274 G HN 0.706 nan 8.290 nan 0.000 0.649 1275 V N 1.850 121.763 119.914 -0.001 0.000 2.488 1275 V HA 0.048 4.164 4.120 -0.007 0.000 0.246 1275 V C 3.128 179.218 176.094 -0.008 0.000 1.046 1275 V CA 1.919 64.217 62.300 -0.002 0.000 1.053 1275 V CB -0.845 30.976 31.823 -0.003 0.000 0.679 1275 V HN 0.492 nan 8.190 nan 0.000 0.458 1276 G N 1.187 109.979 108.800 -0.013 0.000 2.529 1276 G HA2 -0.234 3.722 3.960 -0.007 0.000 0.219 1276 G HA3 -0.234 3.722 3.960 -0.007 0.000 0.219 1276 G C -0.168 174.729 174.900 -0.005 0.000 1.177 1276 G CA 1.271 46.364 45.100 -0.012 0.000 0.773 1276 G HN 0.521 nan 8.290 nan 0.000 0.573 1277 P HA 0.007 nan 4.420 nan 0.000 0.225 1277 P C 2.017 179.319 177.300 0.003 0.000 1.148 1277 P CA 0.726 63.829 63.100 0.005 0.000 0.779 1277 P CB 0.064 31.768 31.700 0.007 0.000 0.780 1278 M N -1.155 118.446 119.600 0.001 0.000 2.349 1278 M HA -0.055 4.421 4.480 -0.007 0.000 0.266 1278 M C 2.070 178.368 176.300 -0.002 0.000 1.076 1278 M CA 1.900 57.200 55.300 0.001 0.000 1.126 1278 M CB -1.962 30.639 32.600 0.002 0.000 1.392 1278 M HN 0.103 nan 8.290 nan 0.000 0.440 1279 T N -1.013 113.535 114.554 -0.010 0.000 2.684 1279 T HA -0.095 4.251 4.350 -0.007 0.000 0.267 1279 T C 1.847 176.536 174.700 -0.018 0.000 1.036 1279 T CA 1.747 63.835 62.100 -0.019 0.000 1.148 1279 T CB -1.019 67.826 68.868 -0.039 0.000 0.863 1279 T HN 0.161 nan 8.240 nan 0.000 0.436 1280 V N 2.303 122.208 119.914 -0.015 0.000 2.407 1280 V HA -0.013 4.103 4.120 -0.007 0.000 0.248 1280 V C 3.285 179.378 176.094 -0.002 0.000 1.055 1280 V CA 1.459 63.752 62.300 -0.011 0.000 1.049 1280 V CB -1.504 30.317 31.823 -0.002 0.000 0.662 1280 V HN 0.728 nan 8.190 nan 0.000 0.455 1281 A N -0.345 122.476 122.820 0.002 0.000 1.930 1281 A HA -0.179 4.137 4.320 -0.007 0.000 0.217 1281 A C 2.229 179.820 177.584 0.012 0.000 1.175 1281 A CA 1.790 53.832 52.037 0.008 0.000 0.627 1281 A CB -0.415 18.591 19.000 0.009 0.000 0.815 1281 A HN 0.391 nan 8.150 nan 0.000 0.443 1282 M N -0.908 118.697 119.600 0.009 0.000 2.117 1282 M HA -0.105 4.371 4.480 -0.007 0.000 0.262 1282 M C 2.178 178.490 176.300 0.020 0.000 1.065 1282 M CA 1.288 56.598 55.300 0.017 0.000 1.114 1282 M CB -1.446 31.162 32.600 0.013 0.000 1.361 1282 M HN 0.481 nan 8.290 nan 0.000 0.408 1283 L N 0.562 121.787 121.223 0.003 0.000 2.083 1283 L HA -0.146 4.190 4.340 -0.007 0.000 0.209 1283 L C 2.187 179.060 176.870 0.005 0.000 1.083 1283 L CA 1.660 56.496 54.840 -0.008 0.000 0.752 1283 L CB -0.507 41.536 42.059 -0.027 0.000 0.899 1283 L HN 0.157 nan 8.230 nan 0.000 0.433 1284 M N -0.964 118.643 119.600 0.011 0.000 2.175 1284 M HA -0.182 4.294 4.480 -0.007 0.000 0.264 1284 M C 2.304 178.625 176.300 0.035 0.000 1.063 1284 M CA 1.539 56.850 55.300 0.018 0.000 1.119 1284 M CB -1.211 31.398 32.600 0.015 0.000 1.377 1284 M HN 0.500 nan 8.290 nan 0.000 0.415 1285 Q N -0.222 119.602 119.800 0.040 0.000 2.123 1285 Q HA -0.090 4.246 4.340 -0.007 0.000 0.199 1285 Q C 2.008 178.060 176.000 0.086 0.000 0.966 1285 Q CA 1.632 57.467 55.803 0.053 0.000 0.845 1285 Q CB 0.241 29.005 28.738 0.044 0.000 0.907 1285 Q HN 0.416 nan 8.270 nan 0.000 0.439 1286 S N -0.232 115.529 115.700 0.101 0.000 2.383 1286 S HA -0.115 4.351 4.470 -0.007 0.000 0.227 1286 S C 1.886 176.603 174.600 0.195 0.000 1.026 1286 S CA 1.476 59.790 58.200 0.189 0.000 0.981 1286 S CB -0.307 62.987 63.200 0.157 0.000 0.818 1286 S HN 0.467 nan 8.310 nan 0.000 0.472 1287 T N 2.234 116.842 114.554 0.091 0.000 2.708 1287 T HA -0.062 4.284 4.350 -0.007 0.000 0.266 1287 T C 1.972 176.739 174.700 0.111 0.000 1.037 1287 T CA 1.313 63.459 62.100 0.077 0.000 1.146 1287 T CB -0.466 68.423 68.868 0.036 0.000 0.865 1287 T HN 0.197 nan 8.240 nan 0.000 0.435 1288 V N 1.565 121.534 119.914 0.092 0.000 2.343 1288 V HA -0.193 3.923 4.120 -0.007 0.000 0.247 1288 V C 2.463 178.626 176.094 0.115 0.000 1.051 1288 V CA 1.709 64.061 62.300 0.088 0.000 1.036 1288 V CB -0.677 31.187 31.823 0.068 0.000 0.654 1288 V HN 0.548 nan 8.190 nan 0.000 0.451 1289 E N -0.085 120.195 120.200 0.133 0.000 2.058 1289 E HA -0.225 4.121 4.350 -0.007 0.000 0.194 1289 E C 2.442 179.144 176.600 0.171 0.000 0.997 1289 E CA 1.595 58.070 56.400 0.124 0.000 0.801 1289 E CB -0.298 29.471 29.700 0.115 0.000 0.746 1289 E HN 0.504 nan 8.360 nan 0.000 0.450 1290 S N 0.068 115.949 115.700 0.301 0.000 2.368 1290 S HA -0.184 4.282 4.470 -0.007 0.000 0.225 1290 S C 2.071 176.846 174.600 0.293 0.000 1.030 1290 S CA 1.163 59.590 58.200 0.379 0.000 0.999 1290 S CB -0.197 63.272 63.200 0.449 0.000 0.844 1290 S HN 0.356 nan 8.310 nan 0.000 0.459 1291 A N 1.296 124.231 122.820 0.192 0.000 1.908 1291 A HA -0.120 4.196 4.320 -0.007 0.000 0.218 1291 A C 2.132 179.867 177.584 0.252 0.000 1.181 1291 A CA 1.684 53.776 52.037 0.092 0.000 0.627 1291 A CB -0.544 18.440 19.000 -0.026 0.000 0.818 1291 A HN 0.608 nan 8.150 nan 0.000 0.445 1292 K N -0.881 119.615 120.400 0.160 0.000 2.097 1292 K HA -0.059 4.257 4.320 -0.007 0.000 0.205 1292 K C 2.263 178.896 176.600 0.055 0.000 1.050 1292 K CA 1.129 57.458 56.287 0.070 0.000 0.938 1292 K CB -0.152 32.375 32.500 0.045 0.000 0.718 1292 K HN 0.349 nan 8.250 nan 0.000 0.442 1293 R N -0.220 120.343 120.500 0.105 0.000 2.148 1293 R HA -0.077 4.259 4.340 -0.007 0.000 0.223 1293 R C 2.135 178.513 176.300 0.131 0.000 1.088 1293 R CA 0.956 57.105 56.100 0.081 0.000 0.985 1293 R CB -0.138 30.202 30.300 0.066 0.000 0.880 1293 R HN 0.194 nan 8.270 nan 0.000 0.451 1294 F N 0.972 120.979 119.950 0.095 0.000 2.128 1294 F HA -0.139 4.386 4.527 -0.004 0.000 0.295 1294 F C 1.940 177.769 175.800 0.048 0.000 1.100 1294 F CA 0.904 58.992 58.000 0.146 0.000 1.260 1294 F CB -0.317 38.893 39.000 0.350 0.000 1.009 1294 F HN -0.101 nan 8.300 nan 0.000 0.476 1295 L N 1.138 122.382 121.223 0.036 0.000 2.187 1295 L HA -0.096 4.240 4.340 -0.007 0.000 0.213 1295 L C 1.155 177.860 176.870 -0.275 0.000 1.100 1295 L CA 1.448 56.100 54.840 -0.313 0.000 0.765 1295 L CB -0.878 40.824 42.059 -0.595 0.000 0.904 1295 L HN 0.322 nan 8.230 nan 0.000 0.437 1296 E N 0.000 120.095 120.200 -0.174 0.000 2.725 1296 E HA 0.000 4.346 4.350 -0.007 0.000 0.291 1296 E CA 0.000 56.316 56.400 -0.141 0.000 0.976 1296 E CB 0.000 29.647 29.700 -0.088 0.000 0.812 1296 E HN 0.000 nan 8.360 nan 0.000 0.440