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 1dig_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 0.000 177.535 177.584 -0.082 0.000 1.274 1002 A CA 0.000 51.999 52.037 -0.063 0.000 0.836 1002 A CB 0.000 18.964 19.000 -0.061 0.000 0.831 1003 P HA 0.570 nan 4.420 nan 0.000 0.274 1003 P C 0.404 177.622 177.300 -0.136 0.000 1.237 1003 P CA 0.041 63.080 63.100 -0.102 0.000 0.793 1003 P CB 0.999 32.648 31.700 -0.084 0.000 0.977 1004 A N 1.402 124.129 122.820 -0.155 0.000 2.520 1004 A HA 0.045 4.361 4.320 -0.007 0.000 0.235 1004 A C 0.514 177.988 177.584 -0.183 0.000 1.065 1004 A CA 0.049 51.970 52.037 -0.193 0.000 0.764 1004 A CB -0.422 18.487 19.000 -0.152 0.000 1.002 1004 A HN 0.616 nan 8.150 nan 0.000 0.502 1005 E N 0.880 120.900 120.200 -0.301 0.000 2.313 1005 E HA 0.423 4.769 4.350 -0.007 0.000 0.276 1005 E C -0.571 176.029 176.600 0.000 0.000 1.031 1005 E CA -0.001 56.286 56.400 -0.189 0.000 0.857 1005 E CB 0.444 29.931 29.700 -0.355 0.000 1.040 1005 E HN 0.443 nan 8.360 nan 0.000 0.408 1006 I N 4.999 125.608 120.570 0.066 0.000 2.371 1006 I HA 0.106 4.272 4.170 -0.007 0.000 0.290 1006 I C -0.120 176.086 176.117 0.148 0.000 1.028 1006 I CA -0.439 60.937 61.300 0.126 0.000 1.345 1006 I CB 0.626 38.699 38.000 0.121 0.000 1.407 1006 I HN 0.350 nan 8.210 nan 0.000 0.501 1007 L N 6.800 128.121 121.223 0.162 0.000 2.302 1007 L HA 0.207 4.542 4.340 -0.007 0.000 0.285 1007 L C 0.503 177.424 176.870 0.086 0.000 1.090 1007 L CA -0.254 54.665 54.840 0.131 0.000 0.866 1007 L CB -0.211 41.922 42.059 0.124 0.000 1.244 1007 L HN 0.555 nan 8.230 nan 0.000 0.435 1008 N N 2.418 121.161 118.700 0.071 0.000 2.406 1008 N HA 0.022 4.758 4.740 -0.007 0.000 0.269 1008 N C 1.129 176.660 175.510 0.035 0.000 1.210 1008 N CA 0.149 53.227 53.050 0.047 0.000 0.966 1008 N CB 1.575 40.087 38.487 0.042 0.000 1.293 1008 N HN 0.694 nan 8.380 nan 0.000 0.491 1009 G N 2.861 111.679 108.800 0.029 0.000 2.471 1009 G HA2 -0.233 3.722 3.960 -0.007 0.000 0.219 1009 G HA3 -0.233 3.722 3.960 -0.007 0.000 0.219 1009 G C 1.421 176.331 174.900 0.017 0.000 1.125 1009 G CA 0.419 45.531 45.100 0.021 0.000 0.775 1009 G HN 0.532 nan 8.290 nan 0.000 0.548 1010 K N 0.310 120.720 120.400 0.016 0.000 2.062 1010 K HA -0.014 4.302 4.320 -0.007 0.000 0.205 1010 K C 2.289 178.898 176.600 0.016 0.000 1.051 1010 K CA 1.161 57.457 56.287 0.014 0.000 0.941 1010 K CB -0.075 32.432 32.500 0.012 0.000 0.719 1010 K HN 0.362 nan 8.250 nan 0.000 0.440 1011 E N 0.446 120.657 120.200 0.019 0.000 2.046 1011 E HA -0.111 4.234 4.350 -0.007 0.000 0.190 1011 E C 2.045 178.656 176.600 0.019 0.000 0.982 1011 E CA 1.095 57.507 56.400 0.020 0.000 0.800 1011 E CB -0.003 29.711 29.700 0.023 0.000 0.756 1011 E HN 0.281 nan 8.360 nan 0.000 0.449 1012 I N 1.335 121.917 120.570 0.020 0.000 2.226 1012 I HA -0.275 3.890 4.170 -0.007 0.000 0.245 1012 I C 2.619 178.745 176.117 0.015 0.000 1.100 1012 I CA 1.316 62.626 61.300 0.018 0.000 1.374 1012 I CB -0.336 37.675 38.000 0.018 0.000 1.057 1012 I HN 0.127 nan 8.210 nan 0.000 0.413 1013 S N 1.149 116.858 115.700 0.015 0.000 2.402 1013 S HA -0.066 4.399 4.470 -0.007 0.000 0.229 1013 S C 2.211 176.819 174.600 0.014 0.000 1.021 1013 S CA 0.700 58.909 58.200 0.014 0.000 0.974 1013 S CB -0.463 62.745 63.200 0.013 0.000 0.800 1013 S HN 0.389 nan 8.310 nan 0.000 0.484 1014 A N 1.862 124.691 122.820 0.014 0.000 1.902 1014 A HA -0.113 4.203 4.320 -0.007 0.000 0.217 1014 A C 2.363 179.956 177.584 0.014 0.000 1.181 1014 A CA 1.515 53.560 52.037 0.014 0.000 0.623 1014 A CB -0.823 18.186 19.000 0.014 0.000 0.818 1014 A HN 0.658 nan 8.150 nan 0.000 0.443 1015 Q N -0.478 119.331 119.800 0.015 0.000 2.084 1015 Q HA -0.106 4.229 4.340 -0.007 0.000 0.202 1015 Q C 2.069 178.077 176.000 0.014 0.000 0.978 1015 Q CA 1.541 57.352 55.803 0.014 0.000 0.844 1015 Q CB -0.354 28.393 28.738 0.014 0.000 0.898 1015 Q HN 0.735 nan 8.270 nan 0.000 0.426 1016 I N 0.474 121.052 120.570 0.014 0.000 2.163 1016 I HA -0.301 3.864 4.170 -0.007 0.000 0.243 1016 I C 2.429 178.556 176.117 0.017 0.000 1.085 1016 I CA 1.284 62.593 61.300 0.015 0.000 1.347 1016 I CB -0.278 37.731 38.000 0.015 0.000 1.044 1016 I HN 0.160 nan 8.210 nan 0.000 0.408 1017 R N 0.614 121.123 120.500 0.016 0.000 2.096 1017 R HA -0.121 4.215 4.340 -0.007 0.000 0.235 1017 R C 2.439 178.749 176.300 0.017 0.000 1.127 1017 R CA 1.371 57.481 56.100 0.017 0.000 0.968 1017 R CB -0.393 29.916 30.300 0.015 0.000 0.861 1017 R HN 0.385 nan 8.270 nan 0.000 0.440 1018 A N 1.290 124.120 122.820 0.016 0.000 1.898 1018 A HA -0.168 4.148 4.320 -0.007 0.000 0.216 1018 A C 2.081 179.675 177.584 0.017 0.000 1.181 1018 A CA 1.175 53.222 52.037 0.016 0.000 0.620 1018 A CB -0.303 18.705 19.000 0.014 0.000 0.819 1018 A HN 0.221 nan 8.150 nan 0.000 0.442 1019 R N -0.498 120.012 120.500 0.017 0.000 2.092 1019 R HA 0.028 4.364 4.340 -0.007 0.000 0.231 1019 R C 1.993 178.305 176.300 0.021 0.000 1.119 1019 R CA 1.278 57.388 56.100 0.018 0.000 0.970 1019 R CB -0.485 29.825 30.300 0.016 0.000 0.864 1019 R HN 0.480 nan 8.270 nan 0.000 0.440 1020 L N 0.902 122.139 121.223 0.023 0.000 2.093 1020 L HA -0.164 4.172 4.340 -0.007 0.000 0.208 1020 L C 2.654 179.541 176.870 0.029 0.000 1.085 1020 L CA 1.270 56.126 54.840 0.028 0.000 0.755 1020 L CB -0.381 41.694 42.059 0.028 0.000 0.904 1020 L HN 0.187 nan 8.230 nan 0.000 0.435 1021 K N 0.758 121.173 120.400 0.024 0.000 2.026 1021 K HA -0.188 4.128 4.320 -0.007 0.000 0.208 1021 K C 1.736 178.351 176.600 0.026 0.000 1.048 1021 K CA 1.869 58.170 56.287 0.024 0.000 0.929 1021 K CB -0.095 32.417 32.500 0.020 0.000 0.713 1021 K HN 0.402 nan 8.250 nan 0.000 0.439 1022 N N 0.144 118.858 118.700 0.024 0.000 2.166 1022 N HA -0.176 4.560 4.740 -0.007 0.000 0.186 1022 N C 1.960 177.487 175.510 0.028 0.000 1.019 1022 N CA 1.222 54.286 53.050 0.024 0.000 0.856 1022 N CB 0.016 38.515 38.487 0.020 0.000 0.993 1022 N HN 0.315 nan 8.380 nan 0.000 0.426 1023 Q N 0.368 120.186 119.800 0.030 0.000 2.079 1023 Q HA -0.080 4.256 4.340 -0.007 0.000 0.200 1023 Q C 2.206 178.236 176.000 0.050 0.000 0.974 1023 Q CA 1.050 56.875 55.803 0.036 0.000 0.840 1023 Q CB 0.040 28.799 28.738 0.035 0.000 0.898 1023 Q HN 0.225 nan 8.270 nan 0.000 0.430 1024 V N 0.527 120.472 119.914 0.051 0.000 2.427 1024 V HA -0.236 3.880 4.120 -0.007 0.000 0.248 1024 V C 2.152 178.285 176.094 0.065 0.000 1.051 1024 V CA 2.059 64.397 62.300 0.063 0.000 1.048 1024 V CB -0.713 31.138 31.823 0.046 0.000 0.666 1024 V HN 0.426 nan 8.190 nan 0.000 0.456 1025 T N -0.799 113.784 114.554 0.048 0.000 2.746 1025 T HA -0.205 4.141 4.350 -0.007 0.000 0.267 1025 T C 1.979 176.709 174.700 0.050 0.000 1.039 1025 T CA 1.269 63.396 62.100 0.045 0.000 1.142 1025 T CB -0.238 68.650 68.868 0.033 0.000 0.866 1025 T HN 0.381 nan 8.240 nan 0.000 0.444 1026 Q N 0.540 120.367 119.800 0.045 0.000 2.167 1026 Q HA 0.112 4.448 4.340 -0.007 0.000 0.202 1026 Q C 2.466 178.496 176.000 0.051 0.000 0.970 1026 Q CA 0.823 56.651 55.803 0.040 0.000 0.855 1026 Q CB -0.534 28.221 28.738 0.028 0.000 0.911 1026 Q HN 0.494 nan 8.270 nan 0.000 0.438 1027 L N 0.471 121.739 121.223 0.075 0.000 2.017 1027 L HA -0.196 4.140 4.340 -0.007 0.000 0.208 1027 L C 2.370 179.328 176.870 0.148 0.000 1.073 1027 L CA 1.274 56.175 54.840 0.102 0.000 0.745 1027 L CB -0.290 41.876 42.059 0.179 0.000 0.894 1027 L HN 0.180 nan 8.230 nan 0.000 0.432 1028 K N -0.150 120.348 120.400 0.165 0.000 2.097 1028 K HA -0.189 4.126 4.320 -0.007 0.000 0.206 1028 K C 1.925 178.589 176.600 0.107 0.000 1.049 1028 K CA 1.332 57.716 56.287 0.162 0.000 0.933 1028 K CB -0.043 32.524 32.500 0.111 0.000 0.717 1028 K HN 0.364 nan 8.250 nan 0.000 0.442 1029 E N 0.185 120.429 120.200 0.073 0.000 2.216 1029 E HA -0.099 4.247 4.350 -0.007 0.000 0.192 1029 E C 2.037 178.660 176.600 0.039 0.000 0.988 1029 E CA 0.489 56.919 56.400 0.050 0.000 0.834 1029 E CB 0.289 30.011 29.700 0.037 0.000 0.772 1029 E HN 0.194 nan 8.360 nan 0.000 0.479 1030 Q N -0.205 119.616 119.800 0.034 0.000 2.245 1030 Q HA 0.004 4.340 4.340 -0.007 0.000 0.201 1030 Q C 0.262 176.265 176.000 0.005 0.000 0.955 1030 Q CA 0.709 56.519 55.803 0.010 0.000 0.870 1030 Q CB 0.897 29.630 28.738 -0.007 0.000 0.945 1030 Q HN 0.079 nan 8.270 nan 0.000 0.461 1031 V N 2.340 122.270 119.914 0.027 0.000 2.383 1031 V HA 0.244 4.359 4.120 -0.007 0.000 0.264 1031 V C -2.471 173.689 176.094 0.109 0.000 1.001 1031 V CA -1.663 60.657 62.300 0.032 0.000 0.828 1031 V CB 1.174 32.966 31.823 -0.052 0.000 1.069 1031 V HN -0.040 nan 8.190 nan 0.000 0.451 1032 P HA 0.244 nan 4.420 nan 0.000 0.261 1032 P C 1.156 178.526 177.300 0.117 0.000 1.183 1032 P CA 1.748 64.903 63.100 0.091 0.000 0.761 1032 P CB 0.652 32.387 31.700 0.059 0.000 0.785 1033 G N 2.908 111.785 108.800 0.129 0.000 2.284 1033 G HA2 -0.253 3.703 3.960 -0.007 0.000 0.216 1033 G HA3 -0.253 3.703 3.960 -0.007 0.000 0.216 1033 G C 0.019 175.032 174.900 0.187 0.000 1.009 1033 G CA -0.619 44.560 45.100 0.132 0.000 0.625 1033 G HN 0.508 nan 8.290 nan 0.000 0.501 1034 F N 3.480 123.474 119.950 0.074 0.000 2.538 1034 F HA 0.529 5.055 4.527 -0.001 0.000 0.371 1034 F C 0.315 176.169 175.800 0.090 0.000 1.087 1034 F CA 0.998 59.058 58.000 0.099 0.000 1.250 1034 F CB 1.036 40.084 39.000 0.081 0.000 1.110 1034 F HN 0.006 nan 8.300 nan 0.000 0.570 1035 T N 7.733 121.960 114.554 -0.545 0.000 3.009 1035 T HA 0.276 4.621 4.350 -0.007 0.000 0.346 1035 T C -2.688 171.722 174.700 -0.483 0.000 1.092 1035 T CA -1.280 60.595 62.100 -0.374 0.000 1.080 1035 T CB 1.131 69.910 68.868 -0.148 0.000 1.037 1035 T HN 0.265 nan 8.240 nan 0.000 0.487 1036 P HA 0.206 nan 4.420 nan 0.000 0.262 1036 P C -0.228 177.065 177.300 -0.011 0.000 1.199 1036 P CA -0.150 62.769 63.100 -0.301 0.000 0.763 1036 P CB 0.518 32.131 31.700 -0.145 0.000 0.790 1037 R N 3.509 124.153 120.500 0.238 0.000 2.561 1037 R HA 0.650 4.986 4.340 -0.007 0.000 0.297 1037 R C -1.597 174.732 176.300 0.048 0.000 0.969 1037 R CA -0.961 55.169 56.100 0.050 0.000 0.879 1037 R CB 0.944 31.187 30.300 -0.096 0.000 1.178 1037 R HN 0.325 nan 8.270 nan 0.000 0.445 1038 L N 2.955 124.192 121.223 0.024 0.000 2.354 1038 L HA 0.851 5.187 4.340 -0.007 0.000 0.269 1038 L C -1.562 175.329 176.870 0.034 0.000 1.005 1038 L CA -0.287 54.575 54.840 0.037 0.000 0.819 1038 L CB 2.155 44.232 42.059 0.029 0.000 1.311 1038 L HN 0.787 nan 8.230 nan 0.000 0.423 1039 A N 5.326 128.191 122.820 0.075 0.000 2.393 1039 A HA 0.817 5.133 4.320 -0.007 0.000 0.306 1039 A C -1.237 176.422 177.584 0.125 0.000 1.050 1039 A CA -0.433 51.649 52.037 0.075 0.000 0.724 1039 A CB 1.017 20.028 19.000 0.018 0.000 1.248 1039 A HN 0.646 nan 8.150 nan 0.000 0.424 1040 I N 2.596 123.228 120.570 0.104 0.000 2.410 1040 I HA 0.290 4.455 4.170 -0.007 0.000 0.286 1040 I C -1.011 175.197 176.117 0.151 0.000 1.009 1040 I CA -0.717 60.647 61.300 0.106 0.000 1.111 1040 I CB 1.768 39.777 38.000 0.014 0.000 1.262 1040 I HN 0.564 nan 8.210 nan 0.000 0.443 1041 L N 7.291 128.594 121.223 0.133 0.000 2.264 1041 L HA 0.438 4.774 4.340 -0.007 0.000 0.289 1041 L C -0.410 176.504 176.870 0.073 0.000 1.044 1041 L CA 0.310 55.197 54.840 0.078 0.000 0.807 1041 L CB 1.196 43.296 42.059 0.068 0.000 1.192 1041 L HN 0.649 nan 8.230 nan 0.000 0.425 1042 Q N 3.784 123.623 119.800 0.064 0.000 2.365 1042 Q HA 0.676 5.012 4.340 -0.007 0.000 0.269 1042 Q C -1.923 174.071 176.000 -0.010 0.000 1.061 1042 Q CA -0.830 55.015 55.803 0.071 0.000 0.816 1042 Q CB 2.240 31.105 28.738 0.212 0.000 1.325 1042 Q HN 0.556 nan 8.270 nan 0.000 0.446 1043 V N 3.537 123.449 119.914 -0.003 0.000 2.487 1043 V HA 0.784 4.900 4.120 -0.007 0.000 0.298 1043 V C 0.498 176.587 176.094 -0.009 0.000 1.028 1043 V CA 0.507 62.791 62.300 -0.026 0.000 0.860 1043 V CB 0.684 32.495 31.823 -0.019 0.000 0.991 1043 V HN 1.105 nan 8.190 nan 0.000 0.427 1044 G N 4.855 113.643 108.800 -0.020 0.000 2.545 1044 G HA2 -0.154 3.801 3.960 -0.007 0.000 0.216 1044 G HA3 -0.154 3.801 3.960 -0.007 0.000 0.216 1044 G C -0.243 174.654 174.900 -0.005 0.000 1.314 1044 G CA 0.219 45.313 45.100 -0.010 0.000 0.906 1044 G HN 0.961 nan 8.290 nan 0.000 0.563 1045 N N 0.015 118.715 118.700 -0.001 0.000 2.595 1045 N HA 0.202 4.938 4.740 -0.007 0.000 0.291 1045 N C 0.246 175.756 175.510 -0.001 0.000 1.706 1045 N CA -0.187 52.864 53.050 0.002 0.000 0.867 1045 N CB 0.281 38.763 38.487 -0.008 0.000 1.414 1045 N HN 0.680 nan 8.380 nan 0.000 0.492 1046 R N 0.170 120.672 120.500 0.002 0.000 2.640 1046 R HA 0.028 4.364 4.340 -0.007 0.000 0.270 1046 R C 0.399 176.680 176.300 -0.031 0.000 1.024 1046 R CA -0.025 56.070 56.100 -0.009 0.000 1.085 1046 R CB 0.645 30.947 30.300 0.004 0.000 0.963 1046 R HN 0.240 nan 8.270 nan 0.000 0.426 1047 D N 2.113 122.483 120.400 -0.049 0.000 2.097 1047 D HA -0.171 4.464 4.640 -0.007 0.000 0.195 1047 D C 1.395 177.609 176.300 -0.143 0.000 0.989 1047 D CA 1.696 55.650 54.000 -0.078 0.000 0.827 1047 D CB -0.127 40.629 40.800 -0.074 0.000 0.966 1047 D HN 0.629 nan 8.370 nan 0.000 0.456 1048 D N 0.230 120.525 120.400 -0.174 0.000 2.144 1048 D HA -0.086 4.550 4.640 -0.007 0.000 0.199 1048 D C 1.846 177.870 176.300 -0.460 0.000 0.984 1048 D CA 0.945 54.720 54.000 -0.376 0.000 0.834 1048 D CB -0.659 39.975 40.800 -0.276 0.000 0.955 1048 D HN -0.027 nan 8.370 nan 0.000 0.465 1049 S N 0.486 116.109 115.700 -0.129 0.000 2.368 1049 S HA -0.116 4.350 4.470 -0.007 0.000 0.225 1049 S C 1.714 176.298 174.600 -0.027 0.000 1.030 1049 S CA 0.984 59.196 58.200 0.020 0.000 0.999 1049 S CB -0.319 62.917 63.200 0.059 0.000 0.844 1049 S HN 0.274 nan 8.310 nan 0.000 0.459 1050 N N 1.764 120.430 118.700 -0.056 0.000 2.104 1050 N HA -0.029 4.707 4.740 -0.007 0.000 0.190 1050 N C 1.687 177.152 175.510 -0.075 0.000 1.024 1050 N CA 0.947 53.973 53.050 -0.039 0.000 0.853 1050 N CB -0.641 37.832 38.487 -0.023 0.000 1.008 1050 N HN 0.338 nan 8.380 nan 0.000 0.424 1051 L N -0.294 120.838 121.223 -0.151 0.000 2.017 1051 L HA -0.186 4.150 4.340 -0.007 0.000 0.208 1051 L C 2.189 179.017 176.870 -0.071 0.000 1.073 1051 L CA 1.302 56.047 54.840 -0.158 0.000 0.745 1051 L CB -0.675 41.221 42.059 -0.270 0.000 0.894 1051 L HN 0.234 nan 8.230 nan 0.000 0.432 1052 Y N -0.225 120.056 120.300 -0.031 0.000 2.181 1052 Y HA -0.271 4.274 4.550 -0.008 0.000 0.288 1052 Y C 2.609 178.471 175.900 -0.063 0.000 1.146 1052 Y CA 0.798 58.877 58.100 -0.035 0.000 1.164 1052 Y CB -0.181 38.263 38.460 -0.027 0.000 0.982 1052 Y HN 0.095 nan 8.280 nan 0.000 0.515 1053 I N 0.610 121.215 120.570 0.059 0.000 2.179 1053 I HA -0.348 3.818 4.170 -0.007 0.000 0.242 1053 I C 2.272 178.329 176.117 -0.100 0.000 1.088 1053 I CA 1.920 63.165 61.300 -0.091 0.000 1.357 1053 I CB -0.505 37.327 38.000 -0.280 0.000 1.051 1053 I HN 0.359 nan 8.210 nan 0.000 0.409 1054 N N 1.017 119.675 118.700 -0.070 0.000 2.205 1054 N HA -0.164 4.572 4.740 -0.007 0.000 0.186 1054 N C 1.548 177.049 175.510 -0.015 0.000 1.015 1054 N CA 1.566 54.591 53.050 -0.041 0.000 0.862 1054 N CB -0.444 38.029 38.487 -0.023 0.000 0.986 1054 N HN 0.130 nan 8.380 nan 0.000 0.429 1055 V N 0.354 120.273 119.914 0.009 0.000 2.358 1055 V HA -0.150 3.966 4.120 -0.007 0.000 0.246 1055 V C 2.295 178.396 176.094 0.012 0.000 1.047 1055 V CA 1.719 64.033 62.300 0.024 0.000 1.035 1055 V CB -0.540 31.319 31.823 0.060 0.000 0.658 1055 V HN 0.376 nan 8.190 nan 0.000 0.452 1056 K N -0.030 120.373 120.400 0.004 0.000 2.057 1056 K HA -0.079 4.237 4.320 -0.007 0.000 0.206 1056 K C 2.098 178.690 176.600 -0.015 0.000 1.050 1056 K CA 1.297 57.579 56.287 -0.009 0.000 0.935 1056 K CB -0.309 32.178 32.500 -0.022 0.000 0.715 1056 K HN 0.338 nan 8.250 nan 0.000 0.439 1057 L N 1.162 122.369 121.223 -0.028 0.000 2.083 1057 L HA -0.183 4.152 4.340 -0.007 0.000 0.209 1057 L C 2.627 179.494 176.870 -0.005 0.000 1.083 1057 L CA 1.254 56.082 54.840 -0.020 0.000 0.752 1057 L CB -0.391 41.651 42.059 -0.029 0.000 0.899 1057 L HN 0.195 nan 8.230 nan 0.000 0.433 1058 K N 0.375 120.773 120.400 -0.003 0.000 2.057 1058 K HA -0.144 4.172 4.320 -0.007 0.000 0.206 1058 K C 2.173 178.777 176.600 0.005 0.000 1.050 1058 K CA 1.217 57.505 56.287 0.003 0.000 0.935 1058 K CB -0.034 32.469 32.500 0.005 0.000 0.715 1058 K HN 0.255 nan 8.250 nan 0.000 0.439 1059 A N 0.970 123.794 122.820 0.006 0.000 1.930 1059 A HA -0.076 4.240 4.320 -0.007 0.000 0.217 1059 A C 2.253 179.842 177.584 0.008 0.000 1.175 1059 A CA 1.722 53.764 52.037 0.008 0.000 0.627 1059 A CB -0.616 18.389 19.000 0.008 0.000 0.815 1059 A HN 0.456 nan 8.150 nan 0.000 0.443 1060 A N -0.262 122.562 122.820 0.006 0.000 1.855 1060 A HA -0.133 4.183 4.320 -0.007 0.000 0.215 1060 A C 1.924 179.512 177.584 0.007 0.000 1.191 1060 A CA 1.642 53.683 52.037 0.007 0.000 0.613 1060 A CB -0.469 18.534 19.000 0.004 0.000 0.829 1060 A HN 0.406 nan 8.150 nan 0.000 0.442 1061 E N -0.366 119.838 120.200 0.006 0.000 2.153 1061 E HA -0.200 4.145 4.350 -0.007 0.000 0.194 1061 E C 1.889 178.494 176.600 0.008 0.000 0.988 1061 E CA 1.495 57.899 56.400 0.006 0.000 0.811 1061 E CB -0.248 29.456 29.700 0.006 0.000 0.746 1061 E HN 0.723 nan 8.360 nan 0.000 0.466 1062 E N 0.803 121.008 120.200 0.009 0.000 2.107 1062 E HA -0.051 4.295 4.350 -0.007 0.000 0.191 1062 E C 1.895 178.503 176.600 0.012 0.000 0.982 1062 E CA 0.603 57.009 56.400 0.010 0.000 0.809 1062 E CB -0.197 29.510 29.700 0.010 0.000 0.756 1062 E HN 0.247 nan 8.360 nan 0.000 0.459 1063 I N -0.874 119.704 120.570 0.013 0.000 2.928 1063 I HA 0.061 4.226 4.170 -0.007 0.000 0.266 1063 I C 1.391 177.518 176.117 0.017 0.000 1.234 1063 I CA 0.753 62.063 61.300 0.017 0.000 1.483 1063 I CB -0.013 37.998 38.000 0.019 0.000 1.097 1063 I HN 0.387 nan 8.210 nan 0.000 0.455 1064 G N 1.466 110.274 108.800 0.012 0.000 2.144 1064 G HA2 -0.223 3.733 3.960 -0.007 0.000 0.218 1064 G HA3 -0.223 3.733 3.960 -0.007 0.000 0.218 1064 G C 0.192 175.093 174.900 0.002 0.000 0.988 1064 G CA -0.525 44.581 45.100 0.010 0.000 0.659 1064 G HN 0.275 nan 8.290 nan 0.000 0.522 1065 I N 1.304 121.876 120.570 0.003 0.000 2.371 1065 I HA 0.237 4.403 4.170 -0.007 0.000 0.290 1065 I C 0.924 177.038 176.117 -0.004 0.000 1.028 1065 I CA -0.506 60.793 61.300 -0.002 0.000 1.345 1065 I CB 1.283 39.289 38.000 0.010 0.000 1.407 1065 I HN -0.027 nan 8.210 nan 0.000 0.501 1066 K N 6.469 126.860 120.400 -0.015 0.000 2.378 1066 K HA 0.423 4.738 4.320 -0.007 0.000 0.288 1066 K C -0.635 175.961 176.600 -0.006 0.000 1.057 1066 K CA -0.261 56.017 56.287 -0.014 0.000 0.971 1066 K CB 0.648 33.130 32.500 -0.030 0.000 0.975 1066 K HN 0.737 nan 8.250 nan 0.000 0.475 1067 A N 4.029 126.850 122.820 0.002 0.000 2.288 1067 A HA 0.384 4.700 4.320 -0.007 0.000 0.320 1067 A C -0.630 176.967 177.584 0.021 0.000 1.217 1067 A CA -0.578 51.465 52.037 0.010 0.000 0.840 1067 A CB 1.064 20.069 19.000 0.008 0.000 1.179 1067 A HN 0.667 nan 8.150 nan 0.000 0.504 1068 T N 2.447 117.018 114.554 0.028 0.000 2.779 1068 T HA 0.364 4.710 4.350 -0.007 0.000 0.280 1068 T C -0.485 174.276 174.700 0.102 0.000 0.987 1068 T CA -0.053 62.072 62.100 0.043 0.000 0.966 1068 T CB 0.437 69.310 68.868 0.008 0.000 0.933 1068 T HN 0.684 nan 8.240 nan 0.000 0.442 1069 H N 3.736 122.796 119.070 -0.016 0.000 2.551 1069 H HA 0.508 5.059 4.556 -0.008 0.000 0.321 1069 H C -0.863 174.445 175.328 -0.034 0.000 1.028 1069 H CA -0.902 55.135 56.048 -0.019 0.000 1.215 1069 H CB 0.513 30.267 29.762 -0.014 0.000 1.414 1069 H HN 0.494 nan 8.280 nan 0.000 0.480 1070 I N 6.156 126.719 120.570 -0.012 0.000 2.328 1070 I HA 0.168 4.333 4.170 -0.007 0.000 0.287 1070 I C -0.266 175.676 176.117 -0.291 0.000 1.012 1070 I CA -0.428 60.761 61.300 -0.185 0.000 1.195 1070 I CB 1.316 39.231 38.000 -0.141 0.000 1.350 1070 I HN 0.400 nan 8.210 nan 0.000 0.464 1071 K N 8.164 128.311 120.400 -0.421 0.000 2.367 1071 K HA 0.540 4.856 4.320 -0.007 0.000 0.263 1071 K C -1.139 175.322 176.600 -0.232 0.000 1.000 1071 K CA -0.538 55.552 56.287 -0.328 0.000 0.891 1071 K CB 0.967 33.224 32.500 -0.405 0.000 1.117 1071 K HN 0.592 nan 8.250 nan 0.000 0.443 1072 L N 6.228 127.328 121.223 -0.206 0.000 2.357 1072 L HA 0.469 4.805 4.340 -0.007 0.000 0.273 1072 L C -1.806 175.004 176.870 -0.100 0.000 1.080 1072 L CA -2.217 52.515 54.840 -0.181 0.000 0.803 1072 L CB 1.179 43.103 42.059 -0.225 0.000 1.174 1072 L HN 0.553 nan 8.230 nan 0.000 0.443 1073 P HA 0.094 nan 4.420 nan 0.000 0.273 1073 P C -0.003 177.278 177.300 -0.030 0.000 1.250 1073 P CA -0.373 62.701 63.100 -0.043 0.000 0.793 1073 P CB 0.763 32.444 31.700 -0.032 0.000 1.011 1074 R N -0.099 120.389 120.500 -0.020 0.000 2.193 1074 R HA -0.066 4.269 4.340 -0.007 0.000 0.229 1074 R C 1.878 178.173 176.300 -0.008 0.000 1.110 1074 R CA 1.972 58.065 56.100 -0.012 0.000 0.988 1074 R CB -0.911 29.384 30.300 -0.009 0.000 0.871 1074 R HN 0.651 nan 8.270 nan 0.000 0.458 1075 T N -2.261 112.288 114.554 -0.008 0.000 3.085 1075 T HA -0.005 4.341 4.350 -0.007 0.000 0.263 1075 T C 0.910 175.610 174.700 0.001 0.000 1.127 1075 T CA 0.200 62.298 62.100 -0.003 0.000 1.103 1075 T CB -0.169 68.697 68.868 -0.003 0.000 0.921 1075 T HN -0.048 nan 8.240 nan 0.000 0.510 1076 T N 3.818 118.370 114.554 -0.003 0.000 2.946 1076 T HA 0.317 4.663 4.350 -0.007 0.000 0.311 1076 T C 0.737 175.443 174.700 0.011 0.000 1.063 1076 T CA 0.310 62.413 62.100 0.004 0.000 1.139 1076 T CB 0.742 69.602 68.868 -0.012 0.000 0.994 1076 T HN 0.678 nan 8.240 nan 0.000 0.547 1077 T N -0.667 113.900 114.554 0.022 0.000 2.948 1077 T HA 0.393 4.738 4.350 -0.007 0.000 0.285 1077 T C 1.212 175.930 174.700 0.030 0.000 1.019 1077 T CA -0.968 61.146 62.100 0.023 0.000 1.013 1077 T CB 1.568 70.449 68.868 0.022 0.000 1.117 1077 T HN 0.642 nan 8.240 nan 0.000 0.533 1078 E N 0.411 120.627 120.200 0.028 0.000 2.085 1078 E HA -0.195 4.151 4.350 -0.007 0.000 0.194 1078 E C 2.110 178.735 176.600 0.042 0.000 0.994 1078 E CA 1.733 58.153 56.400 0.032 0.000 0.801 1078 E CB -0.296 29.420 29.700 0.026 0.000 0.743 1078 E HN 0.782 nan 8.360 nan 0.000 0.453 1079 S N 0.127 115.849 115.700 0.037 0.000 2.399 1079 S HA -0.186 4.280 4.470 -0.007 0.000 0.231 1079 S C 1.728 176.361 174.600 0.055 0.000 1.022 1079 S CA 1.249 59.472 58.200 0.038 0.000 0.983 1079 S CB -0.283 62.932 63.200 0.026 0.000 0.803 1079 S HN 0.338 nan 8.310 nan 0.000 0.480 1080 E N 0.974 121.218 120.200 0.073 0.000 2.046 1080 E HA -0.050 4.296 4.350 -0.007 0.000 0.190 1080 E C 2.220 178.945 176.600 0.209 0.000 0.982 1080 E CA 1.224 57.701 56.400 0.130 0.000 0.800 1080 E CB -0.408 29.369 29.700 0.129 0.000 0.756 1080 E HN 0.406 nan 8.360 nan 0.000 0.449 1081 V N 1.639 121.633 119.914 0.134 0.000 2.287 1081 V HA -0.301 3.815 4.120 -0.007 0.000 0.248 1081 V C 2.392 178.574 176.094 0.146 0.000 1.053 1081 V CA 1.515 63.889 62.300 0.123 0.000 1.027 1081 V CB -0.425 31.435 31.823 0.062 0.000 0.646 1081 V HN 0.334 nan 8.190 nan 0.000 0.447 1082 M N -0.151 119.510 119.600 0.102 0.000 2.108 1082 M HA -0.194 4.282 4.480 -0.007 0.000 0.261 1082 M C 2.227 178.571 176.300 0.073 0.000 1.066 1082 M CA 1.887 57.236 55.300 0.083 0.000 1.107 1082 M CB -1.159 31.475 32.600 0.056 0.000 1.356 1082 M HN 0.334 nan 8.290 nan 0.000 0.406 1083 K N 0.159 120.596 120.400 0.062 0.000 2.032 1083 K HA -0.168 4.148 4.320 -0.007 0.000 0.209 1083 K C 1.756 178.320 176.600 -0.061 0.000 1.048 1083 K CA 1.764 58.040 56.287 -0.018 0.000 0.927 1083 K CB -0.713 31.750 32.500 -0.062 0.000 0.712 1083 K HN 0.269 nan 8.250 nan 0.000 0.441 1084 Y N 0.325 120.601 120.300 -0.040 0.000 2.224 1084 Y HA -0.070 4.472 4.550 -0.013 0.000 0.289 1084 Y C 2.010 177.840 175.900 -0.117 0.000 1.146 1084 Y CA 1.553 59.607 58.100 -0.077 0.000 1.182 1084 Y CB -0.077 38.345 38.460 -0.063 0.000 0.983 1084 Y HN 0.015 nan 8.280 nan 0.000 0.524 1085 I N -1.098 119.538 120.570 0.110 0.000 2.252 1085 I HA -0.305 3.861 4.170 -0.007 0.000 0.245 1085 I C 2.156 178.287 176.117 0.023 0.000 1.102 1085 I CA 1.586 62.937 61.300 0.086 0.000 1.385 1085 I CB -0.620 37.499 38.000 0.199 0.000 1.064 1085 I HN 0.153 nan 8.210 nan 0.000 0.414 1086 T N 0.270 114.836 114.554 0.020 0.000 2.788 1086 T HA -0.153 4.193 4.350 -0.007 0.000 0.268 1086 T C 2.083 176.749 174.700 -0.057 0.000 1.044 1086 T CA 1.803 63.904 62.100 0.001 0.000 1.139 1086 T CB -0.233 68.633 68.868 -0.004 0.000 0.867 1086 T HN 0.544 nan 8.240 nan 0.000 0.454 1087 S N 1.375 117.008 115.700 -0.112 0.000 2.387 1087 S HA 0.063 4.529 4.470 -0.007 0.000 0.226 1087 S C 2.082 176.566 174.600 -0.193 0.000 1.026 1087 S CA 0.597 58.707 58.200 -0.150 0.000 0.972 1087 S CB -0.688 62.389 63.200 -0.205 0.000 0.814 1087 S HN 0.420 nan 8.310 nan 0.000 0.477 1088 L N 1.510 122.547 121.223 -0.310 0.000 2.093 1088 L HA -0.053 4.283 4.340 -0.007 0.000 0.208 1088 L C 2.531 179.174 176.870 -0.379 0.000 1.085 1088 L CA 1.051 55.553 54.840 -0.563 0.000 0.755 1088 L CB -0.728 40.543 42.059 -1.314 0.000 0.904 1088 L HN 0.302 nan 8.230 nan 0.000 0.435 1089 N N 0.105 118.712 118.700 -0.155 0.000 2.120 1089 N HA -0.207 4.529 4.740 -0.007 0.000 0.188 1089 N C 1.796 177.323 175.510 0.028 0.000 1.024 1089 N CA 1.247 54.353 53.050 0.094 0.000 0.852 1089 N CB -0.126 38.442 38.487 0.135 0.000 1.003 1089 N HN 0.231 nan 8.380 nan 0.000 0.424 1090 E N 0.587 120.772 120.200 -0.025 0.000 2.358 1090 E HA -0.021 4.325 4.350 -0.007 0.000 0.195 1090 E C -0.330 176.243 176.600 -0.045 0.000 1.010 1090 E CA 0.153 56.540 56.400 -0.021 0.000 0.856 1090 E CB -0.112 29.570 29.700 -0.030 0.000 0.795 1090 E HN 0.186 nan 8.360 nan 0.000 0.504 1091 D N -0.256 120.087 120.400 -0.094 0.000 2.359 1091 D HA -0.022 4.614 4.640 -0.007 0.000 0.250 1091 D C 0.607 176.822 176.300 -0.141 0.000 1.264 1091 D CA 0.108 54.038 54.000 -0.117 0.000 0.911 1091 D CB 0.664 41.368 40.800 -0.159 0.000 1.056 1091 D HN 0.036 nan 8.370 nan 0.000 0.499 1092 S N 1.387 117.029 115.700 -0.098 0.000 2.507 1092 S HA -0.173 4.293 4.470 -0.007 0.000 0.235 1092 S C 1.725 176.121 174.600 -0.341 0.000 0.988 1092 S CA 1.132 59.256 58.200 -0.126 0.000 0.944 1092 S CB -0.403 62.842 63.200 0.074 0.000 0.762 1092 S HN 0.554 nan 8.310 nan 0.000 0.526 1093 T N -0.914 113.462 114.554 -0.296 0.000 3.100 1093 T HA 0.248 4.594 4.350 -0.007 0.000 0.253 1093 T C 0.402 174.731 174.700 -0.618 0.000 1.118 1093 T CA -0.142 61.728 62.100 -0.385 0.000 1.058 1093 T CB -0.354 68.395 68.868 -0.199 0.000 0.953 1093 T HN 0.184 nan 8.240 nan 0.000 0.515 1094 V N 2.203 121.798 119.914 -0.531 0.000 2.350 1094 V HA 0.341 4.456 4.120 -0.007 0.000 0.276 1094 V C 0.578 176.372 176.094 -0.500 0.000 1.028 1094 V CA -0.697 61.343 62.300 -0.433 0.000 0.860 1094 V CB 0.913 32.604 31.823 -0.220 0.000 0.990 1094 V HN 0.485 nan 8.190 nan 0.000 0.453 1095 H N 2.592 121.577 119.070 -0.142 0.000 2.465 1095 H HA 0.445 4.997 4.556 -0.006 0.000 0.289 1095 H C 1.088 176.433 175.328 0.028 0.000 1.022 1095 H CA 0.801 56.792 56.048 -0.095 0.000 1.340 1095 H CB 0.627 30.356 29.762 -0.055 0.000 1.437 1095 H HN 0.731 nan 8.280 nan 0.000 0.539 1096 G N -0.213 108.659 108.800 0.120 0.000 2.733 1096 G HA2 0.471 4.426 3.960 -0.007 0.000 0.297 1096 G HA3 0.471 4.426 3.960 -0.007 0.000 0.297 1096 G C -1.547 173.430 174.900 0.127 0.000 1.422 1096 G CA -0.823 44.302 45.100 0.042 0.000 0.942 1096 G HN 0.212 nan 8.290 nan 0.000 0.510 1097 F N -0.162 119.714 119.950 -0.123 0.000 2.686 1097 F HA 0.873 5.399 4.527 -0.002 0.000 0.311 1097 F C -1.607 174.134 175.800 -0.099 0.000 1.128 1097 F CA -1.532 56.414 58.000 -0.089 0.000 0.946 1097 F CB 1.651 40.617 39.000 -0.058 0.000 1.336 1097 F HN 0.700 nan 8.300 nan 0.000 0.457 1098 L N 0.151 121.399 121.223 0.042 0.000 2.469 1098 L HA 0.907 5.243 4.340 -0.007 0.000 0.256 1098 L C -1.825 175.091 176.870 0.077 0.000 1.006 1098 L CA -1.214 53.583 54.840 -0.071 0.000 0.832 1098 L CB 1.879 43.884 42.059 -0.091 0.000 1.421 1098 L HN 0.578 nan 8.230 nan 0.000 0.410 1099 V N 1.474 121.406 119.914 0.030 0.000 2.347 1099 V HA 0.438 4.554 4.120 -0.007 0.000 0.280 1099 V C 0.040 176.150 176.094 0.027 0.000 1.021 1099 V CA -0.291 62.047 62.300 0.062 0.000 0.847 1099 V CB 0.994 32.855 31.823 0.063 0.000 0.990 1099 V HN 0.900 nan 8.190 nan 0.000 0.444 1100 Q N 4.623 124.445 119.800 0.038 0.000 2.271 1100 Q HA 0.372 4.708 4.340 -0.007 0.000 0.273 1100 Q C -0.997 175.024 176.000 0.036 0.000 1.051 1100 Q CA 0.619 56.441 55.803 0.032 0.000 0.901 1100 Q CB 0.548 29.313 28.738 0.045 0.000 1.174 1100 Q HN 0.687 nan 8.270 nan 0.000 0.385 1101 L N 6.150 127.390 121.223 0.029 0.000 2.334 1101 L HA 0.679 5.015 4.340 -0.007 0.000 0.272 1101 L C -1.827 175.073 176.870 0.050 0.000 1.020 1101 L CA -2.243 52.615 54.840 0.031 0.000 0.812 1101 L CB 1.596 43.663 42.059 0.015 0.000 1.264 1101 L HN 0.716 nan 8.230 nan 0.000 0.439 1102 P HA 0.277 nan 4.420 nan 0.000 0.281 1102 P C -0.927 176.392 177.300 0.033 0.000 1.249 1102 P CA -0.569 62.553 63.100 0.035 0.000 0.810 1102 P CB 1.067 32.788 31.700 0.035 0.000 1.008 1103 L N 1.482 122.720 121.223 0.025 0.000 2.456 1103 L HA 0.136 4.472 4.340 -0.007 0.000 0.272 1103 L C 0.723 177.604 176.870 0.017 0.000 1.189 1103 L CA 0.218 55.070 54.840 0.021 0.000 0.846 1103 L CB -0.113 41.957 42.059 0.017 0.000 1.111 1103 L HN 0.425 nan 8.230 nan 0.000 0.475 1104 D N 2.185 122.593 120.400 0.013 0.000 2.477 1104 D HA 0.304 4.940 4.640 -0.007 0.000 0.239 1104 D C -0.786 175.515 176.300 0.003 0.000 1.102 1104 D CA 0.032 54.038 54.000 0.009 0.000 0.901 1104 D CB 1.003 41.808 40.800 0.009 0.000 1.026 1104 D HN 0.381 nan 8.370 nan 0.000 0.515 1105 S N 1.970 117.673 115.700 0.004 0.000 2.569 1105 S HA 0.245 4.710 4.470 -0.007 0.000 0.280 1105 S C 0.888 175.490 174.600 0.003 0.000 1.111 1105 S CA -0.667 57.534 58.200 0.002 0.000 0.887 1105 S CB 1.255 64.457 63.200 0.003 0.000 1.095 1105 S HN 0.426 nan 8.310 nan 0.000 0.476 1106 E N 2.214 122.415 120.200 0.002 0.000 2.358 1106 E HA 0.020 4.365 4.350 -0.007 0.000 0.195 1106 E C 0.016 176.619 176.600 0.004 0.000 1.010 1106 E CA 0.419 56.820 56.400 0.003 0.000 0.856 1106 E CB -0.121 29.580 29.700 0.001 0.000 0.795 1106 E HN 0.435 nan 8.360 nan 0.000 0.504 1107 N N 1.016 119.719 118.700 0.006 0.000 2.489 1107 N HA 0.140 4.875 4.740 -0.007 0.000 0.284 1107 N C -0.926 174.590 175.510 0.009 0.000 1.158 1107 N CA -0.469 52.585 53.050 0.007 0.000 0.965 1107 N CB 1.740 40.233 38.487 0.009 0.000 1.195 1107 N HN -0.086 nan 8.380 nan 0.000 0.506 1108 S N 0.950 116.655 115.700 0.009 0.000 2.465 1108 S HA 0.315 4.781 4.470 -0.007 0.000 0.280 1108 S C 0.268 174.876 174.600 0.013 0.000 1.232 1108 S CA -0.248 57.959 58.200 0.010 0.000 1.066 1108 S CB -0.290 62.916 63.200 0.010 0.000 0.929 1108 S HN 0.287 nan 8.310 nan 0.000 0.494 1109 I N 3.844 124.423 120.570 0.014 0.000 2.418 1109 I HA 0.234 4.399 4.170 -0.007 0.000 0.287 1109 I C 0.031 176.158 176.117 0.017 0.000 1.008 1109 I CA -0.757 60.553 61.300 0.017 0.000 1.104 1109 I CB 1.518 39.528 38.000 0.018 0.000 1.264 1109 I HN 0.424 nan 8.210 nan 0.000 0.438 1110 N N 4.684 123.395 118.700 0.018 0.000 2.434 1110 N HA 0.036 4.772 4.740 -0.007 0.000 0.273 1110 N C 0.950 176.471 175.510 0.019 0.000 1.210 1110 N CA 0.382 53.442 53.050 0.017 0.000 0.992 1110 N CB 0.738 39.235 38.487 0.017 0.000 1.355 1110 N HN 0.584 nan 8.380 nan 0.000 0.495 1111 T N 2.596 117.160 114.554 0.017 0.000 2.665 1111 T HA -0.175 4.171 4.350 -0.007 0.000 0.268 1111 T C 1.361 176.070 174.700 0.016 0.000 1.035 1111 T CA 1.300 63.410 62.100 0.017 0.000 1.151 1111 T CB 0.036 68.912 68.868 0.014 0.000 0.862 1111 T HN 0.579 nan 8.240 nan 0.000 0.438 1112 E N 0.783 120.991 120.200 0.014 0.000 2.118 1112 E HA -0.163 4.183 4.350 -0.007 0.000 0.195 1112 E C 2.355 178.964 176.600 0.015 0.000 0.992 1112 E CA 1.050 57.457 56.400 0.012 0.000 0.804 1112 E CB -0.138 29.568 29.700 0.010 0.000 0.741 1112 E HN 0.638 nan 8.360 nan 0.000 0.458 1113 E N 0.341 120.552 120.200 0.019 0.000 2.107 1113 E HA -0.119 4.226 4.350 -0.007 0.000 0.191 1113 E C 2.272 178.890 176.600 0.031 0.000 0.982 1113 E CA 0.721 57.135 56.400 0.023 0.000 0.809 1113 E CB 0.114 29.828 29.700 0.023 0.000 0.756 1113 E HN 0.047 nan 8.360 nan 0.000 0.459 1114 V N 1.892 121.826 119.914 0.034 0.000 2.237 1114 V HA -0.269 3.847 4.120 -0.007 0.000 0.245 1114 V C 2.301 178.423 176.094 0.046 0.000 1.046 1114 V CA 1.338 63.666 62.300 0.047 0.000 1.007 1114 V CB -0.372 31.479 31.823 0.045 0.000 0.638 1114 V HN 0.276 nan 8.190 nan 0.000 0.445 1115 I N 0.740 121.325 120.570 0.026 0.000 2.151 1115 I HA -0.233 3.933 4.170 -0.007 0.000 0.243 1115 I C 2.081 178.198 176.117 -0.001 0.000 1.080 1115 I CA 1.693 62.995 61.300 0.004 0.000 1.339 1115 I CB -1.460 36.537 38.000 -0.006 0.000 1.039 1115 I HN 0.426 nan 8.210 nan 0.000 0.409 1116 N N 0.806 119.513 118.700 0.011 0.000 2.571 1116 N HA 0.006 4.742 4.740 -0.007 0.000 0.189 1116 N C 1.578 177.104 175.510 0.027 0.000 1.154 1116 N CA 0.813 53.872 53.050 0.014 0.000 0.907 1116 N CB 0.272 38.768 38.487 0.015 0.000 0.977 1116 N HN 0.341 nan 8.380 nan 0.000 0.449 1117 A N 0.333 123.179 122.820 0.043 0.000 2.132 1117 A HA 0.167 4.483 4.320 -0.007 0.000 0.213 1117 A C 1.033 178.673 177.584 0.093 0.000 1.154 1117 A CA -0.197 51.879 52.037 0.066 0.000 0.753 1117 A CB 0.047 19.094 19.000 0.079 0.000 0.826 1117 A HN 0.126 nan 8.150 nan 0.000 0.469 1118 I N 1.530 122.137 120.570 0.063 0.000 2.618 1118 I HA 0.125 4.291 4.170 -0.007 0.000 0.284 1118 I C 0.961 177.086 176.117 0.014 0.000 1.146 1118 I CA -0.350 60.963 61.300 0.021 0.000 1.425 1118 I CB 0.871 38.729 38.000 -0.235 0.000 1.383 1118 I HN 0.279 nan 8.210 nan 0.000 0.562 1119 A N 8.798 131.669 122.820 0.086 0.000 2.524 1119 A HA 0.202 4.518 4.320 -0.007 0.000 0.250 1119 A C -1.452 176.159 177.584 0.045 0.000 1.078 1119 A CA -1.005 51.086 52.037 0.088 0.000 0.761 1119 A CB -0.186 18.903 19.000 0.148 0.000 1.012 1119 A HN 0.571 nan 8.150 nan 0.000 0.500 1120 P HA -0.250 nan 4.420 nan 0.000 0.217 1120 P C 1.387 178.821 177.300 0.224 0.000 1.151 1120 P CA 1.693 64.855 63.100 0.103 0.000 0.849 1120 P CB 0.171 31.925 31.700 0.089 0.000 0.787 1121 E N 0.420 120.751 120.200 0.218 0.000 2.418 1121 E HA -0.166 4.180 4.350 -0.007 0.000 0.197 1121 E C 0.976 177.824 176.600 0.413 0.000 1.026 1121 E CA 1.168 57.768 56.400 0.332 0.000 0.862 1121 E CB -0.379 29.456 29.700 0.225 0.000 0.799 1121 E HN 0.307 nan 8.360 nan 0.000 0.518 1122 K N 0.491 120.979 120.400 0.146 0.000 2.402 1122 K HA 0.057 4.372 4.320 -0.007 0.000 0.204 1122 K C 0.046 176.334 176.600 -0.519 0.000 1.056 1122 K CA 0.059 56.299 56.287 -0.078 0.000 1.069 1122 K CB 0.448 32.991 32.500 0.072 0.000 0.888 1122 K HN -0.086 nan 8.250 nan 0.000 0.546 1123 D N 2.493 122.579 120.400 -0.524 0.000 2.597 1123 D HA -0.036 4.600 4.640 -0.007 0.000 0.228 1123 D C 1.306 177.056 176.300 -0.916 0.000 1.120 1123 D CA -0.136 53.505 54.000 -0.599 0.000 1.083 1123 D CB 0.297 40.944 40.800 -0.256 0.000 1.116 1123 D HN -0.009 nan 8.370 nan 0.000 0.487 1124 V N -0.121 119.229 119.914 -0.940 0.000 2.568 1124 V HA -0.177 3.939 4.120 -0.007 0.000 0.253 1124 V C 1.487 177.368 176.094 -0.356 0.000 1.072 1124 V CA 1.464 63.290 62.300 -0.790 0.000 1.084 1124 V CB -0.320 31.244 31.823 -0.432 0.000 0.676 1124 V HN 0.178 nan 8.190 nan 0.000 0.469 1125 D N 1.055 121.290 120.400 -0.274 0.000 2.363 1125 D HA 0.176 4.811 4.640 -0.007 0.000 0.220 1125 D C 1.882 178.135 176.300 -0.079 0.000 0.994 1125 D CA 1.111 55.027 54.000 -0.139 0.000 0.890 1125 D CB -0.142 40.583 40.800 -0.125 0.000 0.906 1125 D HN 0.736 nan 8.370 nan 0.000 0.530 1126 G N 0.841 109.591 108.800 -0.084 0.000 2.258 1126 G HA2 -0.304 3.652 3.960 -0.007 0.000 0.274 1126 G HA3 -0.304 3.652 3.960 -0.007 0.000 0.274 1126 G C 0.866 175.774 174.900 0.013 0.000 1.021 1126 G CA 0.505 45.623 45.100 0.030 0.000 0.798 1126 G HN 0.434 nan 8.290 nan 0.000 0.507 1127 L N 0.701 121.907 121.223 -0.028 0.000 2.607 1127 L HA 0.174 4.509 4.340 -0.007 0.000 0.228 1127 L C 1.902 178.765 176.870 -0.013 0.000 1.123 1127 L CA 0.595 55.425 54.840 -0.017 0.000 0.890 1127 L CB -0.262 41.779 42.059 -0.029 0.000 1.103 1127 L HN 0.470 nan 8.230 nan 0.000 0.468 1128 T N -3.888 110.655 114.554 -0.017 0.000 2.898 1128 T HA 0.089 4.435 4.350 -0.007 0.000 0.301 1128 T C 1.331 176.039 174.700 0.012 0.000 1.049 1128 T CA -0.340 61.756 62.100 -0.007 0.000 1.095 1128 T CB 1.669 70.530 68.868 -0.011 0.000 0.976 1128 T HN -0.026 nan 8.240 nan 0.000 0.539 1129 S N 1.147 116.855 115.700 0.013 0.000 2.382 1129 S HA -0.065 4.400 4.470 -0.007 0.000 0.228 1129 S C 1.945 176.558 174.600 0.022 0.000 1.027 1129 S CA 0.944 59.155 58.200 0.018 0.000 0.991 1129 S CB -0.582 62.627 63.200 0.015 0.000 0.823 1129 S HN 0.699 nan 8.310 nan 0.000 0.469 1130 I N 1.547 122.130 120.570 0.023 0.000 2.226 1130 I HA -0.213 3.953 4.170 -0.007 0.000 0.245 1130 I C 2.341 178.475 176.117 0.028 0.000 1.100 1130 I CA 1.206 62.521 61.300 0.024 0.000 1.374 1130 I CB -0.392 37.624 38.000 0.028 0.000 1.057 1130 I HN 0.304 nan 8.210 nan 0.000 0.413 1131 N N 0.782 119.507 118.700 0.041 0.000 2.171 1131 N HA -0.090 4.646 4.740 -0.007 0.000 0.184 1131 N C 1.853 177.391 175.510 0.047 0.000 1.021 1131 N CA 1.245 54.330 53.050 0.058 0.000 0.854 1131 N CB -0.024 38.522 38.487 0.097 0.000 0.994 1131 N HN 0.281 nan 8.380 nan 0.000 0.426 1132 A N -0.225 122.621 122.820 0.043 0.000 1.933 1132 A HA 0.028 4.343 4.320 -0.007 0.000 0.218 1132 A C 2.235 179.847 177.584 0.048 0.000 1.175 1132 A CA 1.680 53.745 52.037 0.048 0.000 0.628 1132 A CB -1.312 17.712 19.000 0.040 0.000 0.814 1132 A HN 0.445 nan 8.150 nan 0.000 0.444 1133 G N -0.617 108.203 108.800 0.034 0.000 2.408 1133 G HA2 -0.188 3.767 3.960 -0.007 0.000 0.217 1133 G HA3 -0.188 3.767 3.960 -0.007 0.000 0.217 1133 G C 1.783 176.688 174.900 0.009 0.000 1.150 1133 G CA 0.813 45.929 45.100 0.028 0.000 0.776 1133 G HN 0.564 nan 8.290 nan 0.000 0.542 1134 R N -0.665 119.830 120.500 -0.008 0.000 2.066 1134 R HA 0.057 4.392 4.340 -0.007 0.000 0.232 1134 R C 2.448 178.700 176.300 -0.080 0.000 1.131 1134 R CA 1.019 57.087 56.100 -0.054 0.000 0.955 1134 R CB -0.543 29.725 30.300 -0.054 0.000 0.851 1134 R HN 0.357 nan 8.270 nan 0.000 0.432 1135 L N 0.923 122.133 121.223 -0.023 0.000 2.046 1135 L HA -0.073 4.262 4.340 -0.007 0.000 0.208 1135 L C 2.184 179.102 176.870 0.080 0.000 1.077 1135 L CA 1.971 56.814 54.840 0.005 0.000 0.747 1135 L CB -0.639 41.456 42.059 0.060 0.000 0.896 1135 L HN 0.127 nan 8.230 nan 0.000 0.432 1136 A N -0.886 122.012 122.820 0.129 0.000 2.015 1136 A HA -0.103 4.213 4.320 -0.007 0.000 0.219 1136 A C 1.937 179.718 177.584 0.328 0.000 1.163 1136 A CA 1.118 53.311 52.037 0.260 0.000 0.646 1136 A CB -0.403 18.706 19.000 0.182 0.000 0.806 1136 A HN 0.440 nan 8.150 nan 0.000 0.448 1137 R N -1.322 119.217 120.500 0.064 0.000 2.359 1137 R HA 0.232 4.568 4.340 -0.007 0.000 0.231 1137 R C 1.093 177.006 176.300 -0.646 0.000 0.913 1137 R CA 0.557 56.623 56.100 -0.057 0.000 1.075 1137 R CB -0.456 29.816 30.300 -0.047 0.000 1.087 1137 R HN 0.810 nan 8.270 nan 0.000 0.515 1138 G N 1.186 109.317 108.800 -1.116 0.000 2.159 1138 G HA2 -0.195 3.761 3.960 -0.007 0.000 0.227 1138 G HA3 -0.195 3.761 3.960 -0.007 0.000 0.227 1138 G C -0.266 174.172 174.900 -0.771 0.000 0.986 1138 G CA -0.057 43.989 45.100 -1.757 0.000 0.651 1138 G HN 0.257 nan 8.290 nan 0.000 0.523 1139 D N 1.486 121.618 120.400 -0.446 0.000 3.032 1139 D HA 0.215 4.851 4.640 -0.007 0.000 0.241 1139 D C 2.036 178.213 176.300 -0.205 0.000 1.196 1139 D CA -0.441 53.397 54.000 -0.271 0.000 0.927 1139 D CB 0.152 40.838 40.800 -0.189 0.000 1.129 1139 D HN 0.196 nan 8.370 nan 0.000 0.458 1140 L N 1.310 122.409 121.223 -0.205 0.000 2.353 1140 L HA -0.151 4.185 4.340 -0.007 0.000 0.220 1140 L C 2.175 178.982 176.870 -0.105 0.000 1.133 1140 L CA 0.997 55.767 54.840 -0.117 0.000 0.798 1140 L CB -0.718 41.306 42.059 -0.059 0.000 0.922 1140 L HN 0.314 nan 8.230 nan 0.000 0.445 1141 N N 0.729 119.359 118.700 -0.116 0.000 2.244 1141 N HA -0.206 4.529 4.740 -0.007 0.000 0.183 1141 N C 0.929 176.365 175.510 -0.123 0.000 1.016 1141 N CA 1.875 54.865 53.050 -0.101 0.000 0.866 1141 N CB -0.116 38.317 38.487 -0.091 0.000 0.980 1141 N HN 0.517 nan 8.380 nan 0.000 0.430 1142 D N -0.510 119.797 120.400 -0.155 0.000 2.449 1142 D HA 0.046 4.682 4.640 -0.007 0.000 0.255 1142 D C 0.994 177.093 176.300 -0.336 0.000 1.121 1142 D CA -0.321 53.553 54.000 -0.211 0.000 0.830 1142 D CB -0.754 39.950 40.800 -0.160 0.000 1.280 1142 D HN 0.435 nan 8.370 nan 0.000 0.522 1143 C N 0.179 119.324 119.300 -0.260 0.000 2.705 1143 C HA 0.640 5.096 4.460 -0.007 0.000 0.365 1143 C C 0.516 175.293 174.990 -0.355 0.000 1.353 1143 C CA -1.086 57.775 59.018 -0.261 0.000 2.339 1143 C CB -0.461 27.215 27.740 -0.105 0.000 2.576 1143 C HN 0.089 nan 8.230 nan 0.000 0.716 1144 F N 0.513 120.456 119.950 -0.011 0.000 2.432 1144 F HA 0.703 5.226 4.527 -0.007 0.000 0.329 1144 F C 0.561 176.358 175.800 -0.006 0.000 1.076 1144 F CA -0.667 57.327 58.000 -0.009 0.000 1.018 1144 F CB 0.986 39.974 39.000 -0.019 0.000 1.201 1144 F HN 0.406 nan 8.300 nan 0.000 0.489 1145 I N 3.122 123.812 120.570 0.200 0.000 2.436 1145 I HA 0.337 4.502 4.170 -0.007 0.000 0.289 1145 I C -2.477 173.695 176.117 0.091 0.000 1.010 1145 I CA -2.360 59.008 61.300 0.113 0.000 1.098 1145 I CB 1.829 39.875 38.000 0.078 0.000 1.266 1145 I HN 0.251 nan 8.210 nan 0.000 0.434 1146 P HA -0.077 nan 4.420 nan 0.000 0.264 1146 P C 0.934 178.248 177.300 0.022 0.000 1.183 1146 P CA -0.177 62.941 63.100 0.029 0.000 0.763 1146 P CB 0.392 32.106 31.700 0.023 0.000 0.807 1147 C N 1.110 120.412 119.300 0.003 0.000 2.385 1147 C HA -0.197 4.259 4.460 -0.007 0.000 0.275 1147 C C 2.202 177.192 174.990 -0.001 0.000 1.207 1147 C CA 1.946 60.963 59.018 -0.001 0.000 1.760 1147 C CB -2.136 25.592 27.740 -0.021 0.000 2.051 1147 C HN 0.512 nan 8.230 nan 0.000 0.467 1148 T N 3.008 117.557 114.554 -0.008 0.000 2.643 1148 T HA -0.045 4.300 4.350 -0.007 0.000 0.264 1148 T C -0.003 174.703 174.700 0.009 0.000 1.045 1148 T CA 2.535 64.632 62.100 -0.005 0.000 1.155 1148 T CB -1.487 67.374 68.868 -0.012 0.000 0.863 1148 T HN 0.553 nan 8.240 nan 0.000 0.420 1149 P HA -0.069 nan 4.420 nan 0.000 0.220 1149 P C 1.339 178.656 177.300 0.028 0.000 1.148 1149 P CA 1.183 64.300 63.100 0.028 0.000 0.803 1149 P CB 0.015 31.739 31.700 0.040 0.000 0.782 1150 K N 0.262 120.679 120.400 0.028 0.000 2.097 1150 K HA -0.063 4.253 4.320 -0.007 0.000 0.205 1150 K C 2.319 178.932 176.600 0.020 0.000 1.050 1150 K CA 1.584 57.889 56.287 0.029 0.000 0.938 1150 K CB -0.822 31.701 32.500 0.037 0.000 0.718 1150 K HN 0.062 nan 8.250 nan 0.000 0.442 1151 G N 0.403 109.212 108.800 0.015 0.000 2.421 1151 G HA2 -0.215 3.741 3.960 -0.007 0.000 0.217 1151 G HA3 -0.215 3.741 3.960 -0.007 0.000 0.217 1151 G C 1.570 176.476 174.900 0.010 0.000 1.143 1151 G CA 0.788 45.894 45.100 0.011 0.000 0.784 1151 G HN 0.381 nan 8.290 nan 0.000 0.541 1152 C N -0.127 119.180 119.300 0.012 0.000 2.429 1152 C HA 0.033 4.488 4.460 -0.007 0.000 0.277 1152 C C 2.685 177.679 174.990 0.006 0.000 1.262 1152 C CA 0.699 59.725 59.018 0.013 0.000 1.733 1152 C CB -0.876 26.875 27.740 0.018 0.000 2.010 1152 C HN 0.449 nan 8.230 nan 0.000 0.483 1153 L N 1.454 122.681 121.223 0.007 0.000 2.093 1153 L HA -0.074 4.261 4.340 -0.007 0.000 0.208 1153 L C 2.441 179.305 176.870 -0.010 0.000 1.085 1153 L CA 2.093 56.933 54.840 -0.000 0.000 0.755 1153 L CB -0.740 41.324 42.059 0.008 0.000 0.904 1153 L HN 0.278 nan 8.230 nan 0.000 0.435 1154 E N -0.408 119.789 120.200 -0.004 0.000 2.110 1154 E HA -0.200 4.146 4.350 -0.007 0.000 0.193 1154 E C 2.102 178.690 176.600 -0.019 0.000 0.988 1154 E CA 1.580 57.975 56.400 -0.008 0.000 0.804 1154 E CB -0.346 29.355 29.700 0.001 0.000 0.745 1154 E HN 0.574 nan 8.360 nan 0.000 0.458 1155 L N -0.049 121.166 121.223 -0.014 0.000 2.056 1155 L HA -0.091 4.245 4.340 -0.007 0.000 0.207 1155 L C 2.399 179.237 176.870 -0.054 0.000 1.078 1155 L CA 0.876 55.705 54.840 -0.019 0.000 0.749 1155 L CB -0.316 41.745 42.059 0.004 0.000 0.901 1155 L HN 0.217 nan 8.230 nan 0.000 0.433 1156 I N -0.279 120.260 120.570 -0.051 0.000 2.226 1156 I HA -0.286 3.879 4.170 -0.007 0.000 0.245 1156 I C 2.391 178.436 176.117 -0.121 0.000 1.100 1156 I CA 1.363 62.613 61.300 -0.082 0.000 1.374 1156 I CB -0.281 37.691 38.000 -0.048 0.000 1.057 1156 I HN 0.204 nan 8.210 nan 0.000 0.413 1157 K N 0.371 120.721 120.400 -0.083 0.000 2.217 1157 K HA -0.112 4.204 4.320 -0.007 0.000 0.202 1157 K C 1.843 178.381 176.600 -0.104 0.000 1.051 1157 K CA 0.698 56.935 56.287 -0.083 0.000 0.952 1157 K CB -0.047 32.425 32.500 -0.047 0.000 0.736 1157 K HN 0.240 nan 8.250 nan 0.000 0.453 1158 E N 0.412 120.550 120.200 -0.104 0.000 2.265 1158 E HA -0.128 4.217 4.350 -0.007 0.000 0.196 1158 E C 1.955 178.448 176.600 -0.178 0.000 0.996 1158 E CA 1.441 57.782 56.400 -0.099 0.000 0.832 1158 E CB -0.088 29.576 29.700 -0.059 0.000 0.756 1158 E HN 0.460 nan 8.360 nan 0.000 0.491 1159 T N -3.217 111.128 114.554 -0.348 0.000 2.951 1159 T HA 0.057 4.403 4.350 -0.007 0.000 0.268 1159 T C 1.663 176.123 174.700 -0.399 0.000 1.073 1159 T CA 1.230 62.898 62.100 -0.719 0.000 1.134 1159 T CB 0.076 68.182 68.868 -1.270 0.000 0.884 1159 T HN 0.229 nan 8.240 nan 0.000 0.479 1160 G N 0.466 109.131 108.800 -0.224 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 0.073 174.918 174.900 -0.090 0.000 0.979 1160 G CA -0.024 45.009 45.100 -0.112 0.000 0.641 1160 G HN 0.792 nan 8.290 nan 0.000 0.530 1161 V N 2.208 122.041 119.914 -0.136 0.000 2.432 1161 V HA 0.421 4.536 4.120 -0.007 0.000 0.271 1161 V C -1.297 174.762 176.094 -0.058 0.000 1.046 1161 V CA -1.404 60.852 62.300 -0.072 0.000 0.945 1161 V CB 1.105 32.890 31.823 -0.063 0.000 0.992 1161 V HN 0.146 nan 8.190 nan 0.000 0.471 1162 P HA 0.218 nan 4.420 nan 0.000 0.265 1162 P C 0.811 178.096 177.300 -0.025 0.000 1.193 1162 P CA 0.078 63.162 63.100 -0.026 0.000 0.765 1162 P CB 0.715 32.407 31.700 -0.014 0.000 0.823 1163 I N 1.365 121.918 120.570 -0.029 0.000 2.480 1163 I HA -0.044 4.121 4.170 -0.007 0.000 0.251 1163 I C 1.151 177.248 176.117 -0.033 0.000 1.124 1163 I CA 0.291 61.572 61.300 -0.031 0.000 1.444 1163 I CB -0.431 37.547 38.000 -0.036 0.000 1.098 1163 I HN 0.339 nan 8.210 nan 0.000 0.428 1164 A N 1.113 123.915 122.820 -0.029 0.000 2.567 1164 A HA 0.302 4.618 4.320 -0.007 0.000 0.240 1164 A C 1.473 179.040 177.584 -0.028 0.000 1.053 1164 A CA 0.870 52.888 52.037 -0.032 0.000 0.755 1164 A CB -0.565 18.423 19.000 -0.020 0.000 0.978 1164 A HN 0.754 nan 8.150 nan 0.000 0.507 1165 G N 2.123 110.900 108.800 -0.038 0.000 2.267 1165 G HA2 -0.261 3.694 3.960 -0.007 0.000 0.257 1165 G HA3 -0.261 3.694 3.960 -0.007 0.000 0.257 1165 G C 0.561 175.453 174.900 -0.014 0.000 0.998 1165 G CA 0.653 45.737 45.100 -0.026 0.000 0.620 1165 G HN 0.928 nan 8.290 nan 0.000 0.529 1166 R N 0.045 120.537 120.500 -0.014 0.000 2.531 1166 R HA 0.478 4.814 4.340 -0.007 0.000 0.273 1166 R C -0.186 176.125 176.300 0.018 0.000 1.070 1166 R CA -0.559 55.551 56.100 0.016 0.000 1.112 1166 R CB 0.568 30.879 30.300 0.018 0.000 1.049 1166 R HN 0.450 nan 8.270 nan 0.000 0.508 1167 H N 0.360 119.419 119.070 -0.018 0.000 2.705 1167 H HA 0.355 4.907 4.556 -0.007 0.000 0.291 1167 H C -0.937 174.384 175.328 -0.013 0.000 1.085 1167 H CA -0.302 55.734 56.048 -0.019 0.000 1.357 1167 H CB 0.844 30.598 29.762 -0.014 0.000 1.419 1167 H HN 0.646 nan 8.280 nan 0.000 0.462 1168 A N 4.804 127.642 122.820 0.029 0.000 2.305 1168 A HA 0.552 4.868 4.320 -0.007 0.000 0.322 1168 A C -0.947 176.717 177.584 0.133 0.000 1.187 1168 A CA -0.679 51.402 52.037 0.073 0.000 0.825 1168 A CB 1.054 20.044 19.000 -0.016 0.000 1.164 1168 A HN 0.536 nan 8.150 nan 0.000 0.498 1169 V N 2.867 122.867 119.914 0.144 0.000 2.448 1169 V HA 0.441 4.557 4.120 -0.007 0.000 0.295 1169 V C -0.501 175.649 176.094 0.094 0.000 1.025 1169 V CA -0.474 61.907 62.300 0.134 0.000 0.859 1169 V CB 1.627 33.525 31.823 0.126 0.000 0.988 1169 V HN 0.637 nan 8.190 nan 0.000 0.431 1170 V N 5.575 125.543 119.914 0.090 0.000 2.378 1170 V HA 0.397 4.513 4.120 -0.007 0.000 0.288 1170 V C -0.184 175.958 176.094 0.079 0.000 1.016 1170 V CA -0.625 61.725 62.300 0.084 0.000 0.840 1170 V CB 1.877 33.758 31.823 0.096 0.000 0.994 1170 V HN 0.617 nan 8.190 nan 0.000 0.431 1171 V N 4.319 124.280 119.914 0.078 0.000 2.334 1171 V HA 0.897 5.012 4.120 -0.007 0.000 0.267 1171 V C 0.669 176.808 176.094 0.075 0.000 1.040 1171 V CA 0.315 62.661 62.300 0.077 0.000 0.866 1171 V CB 0.330 32.210 31.823 0.096 0.000 1.019 1171 V HN 1.258 nan 8.190 nan 0.000 0.468 1172 G N 4.873 113.723 108.800 0.083 0.000 2.528 1172 G HA2 0.129 4.085 3.960 -0.007 0.000 0.681 1172 G HA3 0.129 4.085 3.960 -0.007 0.000 0.681 1172 G C -0.470 174.478 174.900 0.080 0.000 1.340 1172 G CA -0.421 44.727 45.100 0.080 0.000 0.855 1172 G HN 0.989 nan 8.290 nan 0.000 0.649 1173 R N -0.280 120.261 120.500 0.067 0.000 2.599 1173 R HA 0.515 4.851 4.340 -0.007 0.000 0.451 1173 R C 0.722 177.036 176.300 0.023 0.000 0.988 1173 R CA 0.198 56.324 56.100 0.044 0.000 1.085 1173 R CB 0.056 30.378 30.300 0.037 0.000 1.452 1173 R HN 1.108 nan 8.270 nan 0.000 0.596 1174 S N 0.297 116.013 115.700 0.027 0.000 2.600 1174 S HA 0.208 4.674 4.470 -0.007 0.000 0.265 1174 S C 0.841 175.452 174.600 0.018 0.000 1.325 1174 S CA -0.684 57.526 58.200 0.017 0.000 1.002 1174 S CB 1.669 64.879 63.200 0.016 0.000 0.921 1174 S HN 0.357 nan 8.310 nan 0.000 0.554 1175 K N 0.052 120.460 120.400 0.012 0.000 2.097 1175 K HA -0.018 4.297 4.320 -0.007 0.000 0.205 1175 K C 1.691 178.301 176.600 0.016 0.000 1.050 1175 K CA 1.051 57.347 56.287 0.015 0.000 0.938 1175 K CB -0.335 32.170 32.500 0.008 0.000 0.718 1175 K HN 0.517 nan 8.250 nan 0.000 0.442 1176 I N 0.262 120.838 120.570 0.010 0.000 2.353 1176 I HA -0.139 4.027 4.170 -0.007 0.000 0.248 1176 I C 1.958 178.082 176.117 0.011 0.000 1.119 1176 I CA 1.285 62.587 61.300 0.004 0.000 1.417 1176 I CB -0.607 37.389 38.000 -0.007 0.000 1.078 1176 I HN -0.079 nan 8.210 nan 0.000 0.421 1177 V N -0.357 119.568 119.914 0.019 0.000 3.668 1177 V HA 0.327 4.442 4.120 -0.007 0.000 0.199 1177 V C 2.357 178.477 176.094 0.043 0.000 1.241 1177 V CA 0.844 63.160 62.300 0.026 0.000 1.308 1177 V CB -0.966 30.868 31.823 0.018 0.000 1.411 1177 V HN 0.244 nan 8.190 nan 0.000 0.535 1178 G N 0.534 109.361 108.800 0.045 0.000 2.513 1178 G HA2 -0.292 3.664 3.960 -0.007 0.000 0.219 1178 G HA3 -0.292 3.664 3.960 -0.007 0.000 0.219 1178 G C 1.669 176.616 174.900 0.078 0.000 1.160 1178 G CA 1.906 47.043 45.100 0.061 0.000 0.767 1178 G HN 0.664 nan 8.290 nan 0.000 0.571 1179 A N 1.563 124.420 122.820 0.062 0.000 1.841 1179 A HA 0.043 4.359 4.320 -0.007 0.000 0.214 1179 A C 0.947 178.608 177.584 0.128 0.000 1.195 1179 A CA 2.091 54.170 52.037 0.069 0.000 0.611 1179 A CB -1.149 17.873 19.000 0.037 0.000 0.835 1179 A HN 0.433 nan 8.150 nan 0.000 0.443 1180 P HA -0.126 nan 4.420 nan 0.000 0.223 1180 P C 1.460 178.827 177.300 0.112 0.000 1.151 1180 P CA 1.373 64.541 63.100 0.114 0.000 0.787 1180 P CB -0.140 31.608 31.700 0.080 0.000 0.788 1181 M N -0.204 119.456 119.600 0.100 0.000 2.156 1181 M HA -0.133 4.343 4.480 -0.007 0.000 0.264 1181 M C 2.388 178.739 176.300 0.084 0.000 1.067 1181 M CA 1.554 56.902 55.300 0.079 0.000 1.131 1181 M CB -1.436 31.204 32.600 0.068 0.000 1.368 1181 M HN -0.051 nan 8.290 nan 0.000 0.416 1182 H N -0.349 118.733 119.070 0.021 0.000 2.353 1182 H HA -0.151 4.400 4.556 -0.007 0.000 0.300 1182 H C 1.059 176.378 175.328 -0.015 0.000 1.090 1182 H CA 2.157 58.202 56.048 -0.005 0.000 1.327 1182 H CB -0.303 29.460 29.762 0.001 0.000 1.383 1182 H HN 0.349 nan 8.280 nan 0.000 0.508 1183 D N 0.965 121.413 120.400 0.080 0.000 2.117 1183 D HA -0.115 4.521 4.640 -0.007 0.000 0.197 1183 D C 2.680 179.036 176.300 0.094 0.000 0.987 1183 D CA 0.778 54.844 54.000 0.110 0.000 0.829 1183 D CB -0.286 40.688 40.800 0.291 0.000 0.961 1183 D HN 0.399 nan 8.370 nan 0.000 0.460 1184 L N 0.103 121.365 121.223 0.065 0.000 2.056 1184 L HA -0.101 4.234 4.340 -0.007 0.000 0.207 1184 L C 2.531 179.391 176.870 -0.018 0.000 1.078 1184 L CA 0.620 55.497 54.840 0.062 0.000 0.749 1184 L CB -0.301 41.786 42.059 0.047 0.000 0.901 1184 L HN 0.021 nan 8.230 nan 0.000 0.433 1185 L N -0.851 120.313 121.223 -0.099 0.000 2.093 1185 L HA -0.212 4.124 4.340 -0.007 0.000 0.208 1185 L C 2.507 179.221 176.870 -0.260 0.000 1.085 1185 L CA 0.631 55.383 54.840 -0.146 0.000 0.755 1185 L CB -0.390 41.590 42.059 -0.132 0.000 0.904 1185 L HN 0.234 nan 8.230 nan 0.000 0.435 1186 L N -0.645 120.297 121.223 -0.467 0.000 2.017 1186 L HA -0.155 4.181 4.340 -0.007 0.000 0.208 1186 L C 1.924 178.388 176.870 -0.676 0.000 1.073 1186 L CA 1.863 56.279 54.840 -0.706 0.000 0.745 1186 L CB -0.586 40.806 42.059 -1.111 0.000 0.894 1186 L HN 0.183 nan 8.230 nan 0.000 0.432 1187 W N -0.390 120.838 121.300 -0.120 0.000 2.961 1187 W HA 0.026 4.682 4.660 -0.007 0.000 0.240 1187 W C 1.550 178.032 176.519 -0.062 0.000 1.305 1187 W CA 0.010 57.310 57.345 -0.075 0.000 1.465 1187 W CB -0.263 29.162 29.460 -0.059 0.000 1.135 1187 W HN 0.198 nan 8.180 nan 0.000 0.688 1188 N N 0.936 119.657 118.700 0.035 0.000 2.273 1188 N HA -0.027 4.709 4.740 -0.007 0.000 0.231 1188 N C -0.115 175.374 175.510 -0.036 0.000 1.134 1188 N CA 0.197 53.256 53.050 0.015 0.000 0.856 1188 N CB -0.096 38.389 38.487 -0.002 0.000 1.068 1188 N HN 0.056 nan 8.380 nan 0.000 0.510 1189 N N 0.077 118.732 118.700 -0.075 0.000 2.741 1189 N HA -0.172 4.564 4.740 -0.007 0.000 0.251 1189 N C -0.203 175.231 175.510 -0.126 0.000 1.112 1189 N CA 0.772 53.760 53.050 -0.104 0.000 0.750 1189 N CB -1.417 37.043 38.487 -0.045 0.000 1.119 1189 N HN 0.353 nan 8.380 nan 0.000 0.561 1190 A N -0.371 122.356 122.820 -0.156 0.000 2.286 1190 A HA 0.602 4.918 4.320 -0.007 0.000 0.286 1190 A C 0.553 178.003 177.584 -0.222 0.000 1.097 1190 A CA 0.030 51.976 52.037 -0.153 0.000 0.821 1190 A CB 0.595 19.516 19.000 -0.132 0.000 1.076 1190 A HN 0.119 nan 8.150 nan 0.000 0.490 1191 T N 1.671 116.078 114.554 -0.244 0.000 2.728 1191 T HA 0.459 4.804 4.350 -0.007 0.000 0.296 1191 T C -0.189 174.219 174.700 -0.486 0.000 0.940 1191 T CA -0.089 61.808 62.100 -0.338 0.000 1.013 1191 T CB 0.204 68.876 68.868 -0.326 0.000 0.912 1191 T HN 0.409 nan 8.240 nan 0.000 0.484 1192 V N 3.999 123.704 119.914 -0.349 0.000 2.483 1192 V HA 0.530 4.645 4.120 -0.007 0.000 0.295 1192 V C 0.436 176.466 176.094 -0.108 0.000 1.035 1192 V CA -0.751 61.410 62.300 -0.232 0.000 0.896 1192 V CB 1.866 33.585 31.823 -0.174 0.000 0.986 1192 V HN 0.844 nan 8.190 nan 0.000 0.447 1193 T N 2.735 117.290 114.554 0.001 0.000 2.809 1193 T HA 0.407 4.753 4.350 -0.007 0.000 0.284 1193 T C -0.121 174.639 174.700 0.099 0.000 0.992 1193 T CA -0.294 61.865 62.100 0.099 0.000 0.957 1193 T CB 1.282 70.296 68.868 0.243 0.000 0.942 1193 T HN 0.714 nan 8.240 nan 0.000 0.439 1194 T N 3.180 117.783 114.554 0.082 0.000 2.749 1194 T HA 0.450 4.796 4.350 -0.007 0.000 0.287 1194 T C 0.043 174.763 174.700 0.033 0.000 0.970 1194 T CA -0.427 61.718 62.100 0.075 0.000 0.980 1194 T CB 0.145 69.046 68.868 0.055 0.000 0.924 1194 T HN 0.662 nan 8.240 nan 0.000 0.456 1195 C N 3.422 122.721 119.300 -0.000 0.000 2.401 1195 C HA 0.922 5.378 4.460 -0.007 0.000 0.356 1195 C C 0.217 175.152 174.990 -0.091 0.000 1.192 1195 C CA -0.621 58.304 59.018 -0.154 0.000 2.028 1195 C CB 0.500 28.184 27.740 -0.093 0.000 2.344 1195 C HN 1.188 nan 8.230 nan 0.000 0.525 1196 H N -2.182 116.900 119.070 0.019 0.000 3.054 1196 H HA 0.382 4.933 4.556 -0.007 0.000 0.271 1196 H C 0.753 176.091 175.328 0.017 0.000 1.551 1196 H CA 0.061 56.119 56.048 0.018 0.000 1.196 1196 H CB -0.133 29.632 29.762 0.005 0.000 1.867 1196 H HN 0.378 nan 8.280 nan 0.000 0.637 1197 S N -0.729 115.109 115.700 0.231 0.000 2.469 1197 S HA -0.093 4.373 4.470 -0.007 0.000 0.238 1197 S C 0.932 175.616 174.600 0.140 0.000 0.998 1197 S CA 0.855 59.138 58.200 0.138 0.000 0.957 1197 S CB -0.274 62.986 63.200 0.100 0.000 0.764 1197 S HN 0.481 nan 8.310 nan 0.000 0.514 1198 K N 1.338 121.925 120.400 0.312 0.000 2.358 1198 K HA 0.233 4.548 4.320 -0.007 0.000 0.197 1198 K C -0.057 176.565 176.600 0.037 0.000 1.025 1198 K CA 0.093 56.500 56.287 0.200 0.000 1.104 1198 K CB 0.095 32.753 32.500 0.263 0.000 0.855 1198 K HN 0.314 nan 8.250 nan 0.000 0.531 1199 T N 2.135 116.589 114.554 -0.166 0.000 2.814 1199 T HA 0.298 4.643 4.350 -0.007 0.000 0.297 1199 T C 0.142 174.741 174.700 -0.169 0.000 0.956 1199 T CA -0.215 61.729 62.100 -0.260 0.000 1.123 1199 T CB 0.993 69.643 68.868 -0.363 0.000 0.902 1199 T HN 0.168 nan 8.240 nan 0.000 0.528 1200 A N 3.110 125.821 122.820 -0.183 0.000 2.316 1200 A HA 0.465 4.781 4.320 -0.007 0.000 0.284 1200 A C 0.232 177.655 177.584 -0.268 0.000 1.115 1200 A CA -0.566 51.293 52.037 -0.295 0.000 0.812 1200 A CB -0.409 18.370 19.000 -0.368 0.000 1.064 1200 A HN 1.102 nan 8.150 nan 0.000 0.489 1201 H N -0.525 118.464 119.070 -0.134 0.000 2.506 1201 H HA -0.178 4.373 4.556 -0.007 0.000 0.323 1201 H C 0.680 175.847 175.328 -0.270 0.000 1.076 1201 H CA 0.366 56.297 56.048 -0.194 0.000 1.108 1201 H CB -1.249 28.419 29.762 -0.157 0.000 1.569 1201 H HN 0.594 nan 8.280 nan 0.000 0.399 1202 L N 1.481 122.562 121.223 -0.236 0.000 2.127 1202 L HA -0.184 4.152 4.340 -0.007 0.000 0.211 1202 L C 2.287 178.823 176.870 -0.558 0.000 1.089 1202 L CA 2.407 57.068 54.840 -0.299 0.000 0.757 1202 L CB -0.296 41.642 42.059 -0.202 0.000 0.899 1202 L HN 0.647 nan 8.230 nan 0.000 0.434 1203 D N -0.978 118.817 120.400 -1.008 0.000 2.117 1203 D HA -0.263 4.372 4.640 -0.007 0.000 0.197 1203 D C 1.703 177.642 176.300 -0.601 0.000 0.987 1203 D CA 1.783 54.920 54.000 -1.439 0.000 0.829 1203 D CB -0.507 39.280 40.800 -1.688 0.000 0.961 1203 D HN 0.568 nan 8.370 nan 0.000 0.460 1204 E N 0.334 120.307 120.200 -0.379 0.000 2.107 1204 E HA -0.109 4.237 4.350 -0.007 0.000 0.191 1204 E C 2.144 178.645 176.600 -0.166 0.000 0.982 1204 E CA 0.678 56.945 56.400 -0.222 0.000 0.809 1204 E CB 0.106 29.698 29.700 -0.180 0.000 0.756 1204 E HN 0.329 nan 8.360 nan 0.000 0.459 1205 E N 0.584 120.689 120.200 -0.158 0.000 2.047 1205 E HA -0.129 4.217 4.350 -0.007 0.000 0.191 1205 E C 2.382 178.934 176.600 -0.079 0.000 0.987 1205 E CA 0.762 57.098 56.400 -0.107 0.000 0.799 1205 E CB -0.279 29.368 29.700 -0.088 0.000 0.752 1205 E HN 0.115 nan 8.360 nan 0.000 0.449 1206 V N 2.712 122.590 119.914 -0.060 0.000 2.392 1206 V HA -0.238 3.878 4.120 -0.007 0.000 0.249 1206 V C 2.203 178.315 176.094 0.030 0.000 1.059 1206 V CA 1.640 63.966 62.300 0.043 0.000 1.051 1206 V CB -0.685 31.255 31.823 0.195 0.000 0.658 1206 V HN 0.344 nan 8.190 nan 0.000 0.455 1207 N N 0.182 118.871 118.700 -0.019 0.000 2.585 1207 N HA -0.146 4.590 4.740 -0.007 0.000 0.188 1207 N C 1.346 176.823 175.510 -0.057 0.000 1.102 1207 N CA 0.641 53.681 53.050 -0.016 0.000 0.920 1207 N CB 0.113 38.573 38.487 -0.044 0.000 0.963 1207 N HN 0.401 nan 8.380 nan 0.000 0.447 1208 K N -0.006 120.329 120.400 -0.107 0.000 2.374 1208 K HA 0.123 4.439 4.320 -0.007 0.000 0.196 1208 K C 0.615 177.097 176.600 -0.197 0.000 1.023 1208 K CA -0.039 56.124 56.287 -0.207 0.000 1.103 1208 K CB 0.479 32.764 32.500 -0.360 0.000 0.848 1208 K HN 0.040 nan 8.250 nan 0.000 0.528 1209 G N 1.850 110.618 108.800 -0.053 0.000 2.338 1209 G HA2 0.086 4.041 3.960 -0.007 0.000 0.295 1209 G HA3 0.086 4.041 3.960 -0.007 0.000 0.295 1209 G C 0.122 175.057 174.900 0.058 0.000 1.132 1209 G CA -0.414 44.715 45.100 0.048 0.000 0.922 1209 G HN -0.043 nan 8.290 nan 0.000 0.427 1210 D N 1.780 122.227 120.400 0.078 0.000 2.224 1210 D HA -0.035 4.601 4.640 -0.007 0.000 0.205 1210 D C 0.860 177.201 176.300 0.070 0.000 0.965 1210 D CA 1.119 55.159 54.000 0.067 0.000 0.852 1210 D CB 0.655 41.496 40.800 0.068 0.000 0.947 1210 D HN 0.363 nan 8.370 nan 0.000 0.494 1211 I N 1.165 121.779 120.570 0.073 0.000 2.447 1211 I HA 0.223 4.389 4.170 -0.007 0.000 0.287 1211 I C -1.141 175.018 176.117 0.071 0.000 1.023 1211 I CA -0.901 60.435 61.300 0.060 0.000 1.083 1211 I CB 2.589 40.610 38.000 0.035 0.000 1.245 1211 I HN -0.238 nan 8.210 nan 0.000 0.434 1212 L N 8.438 129.703 121.223 0.069 0.000 2.376 1212 L HA 0.651 4.987 4.340 -0.007 0.000 0.275 1212 L C -1.168 175.742 176.870 0.066 0.000 0.987 1212 L CA -0.445 54.441 54.840 0.075 0.000 0.828 1212 L CB 1.803 43.911 42.059 0.083 0.000 1.249 1212 L HN 0.306 nan 8.230 nan 0.000 0.409 1213 V N 5.908 125.860 119.914 0.064 0.000 2.407 1213 V HA 0.543 4.659 4.120 -0.007 0.000 0.291 1213 V C -0.457 175.673 176.094 0.060 0.000 1.018 1213 V CA -0.679 61.655 62.300 0.056 0.000 0.842 1213 V CB 1.719 33.571 31.823 0.048 0.000 0.996 1213 V HN 0.505 nan 8.190 nan 0.000 0.426 1214 V N 3.620 123.566 119.914 0.054 0.000 2.435 1214 V HA 0.859 4.974 4.120 -0.007 0.000 0.290 1214 V C 0.350 176.466 176.094 0.037 0.000 1.030 1214 V CA -0.323 62.008 62.300 0.052 0.000 0.881 1214 V CB 1.625 33.478 31.823 0.050 0.000 0.983 1214 V HN 0.996 nan 8.190 nan 0.000 0.445 1215 A N 2.715 125.558 122.820 0.038 0.000 3.005 1215 A HA 0.581 4.896 4.320 -0.007 0.000 0.308 1215 A C 0.437 178.038 177.584 0.030 0.000 1.173 1215 A CA 0.313 52.365 52.037 0.025 0.000 0.796 1215 A CB 0.836 19.852 19.000 0.026 0.000 1.325 1215 A HN 0.909 nan 8.150 nan 0.000 0.467 1216 T N -3.250 111.318 114.554 0.024 0.000 2.964 1216 T HA 0.438 4.783 4.350 -0.007 0.000 0.250 1216 T C 1.497 176.206 174.700 0.015 0.000 0.982 1216 T CA 0.924 63.041 62.100 0.030 0.000 0.959 1216 T CB 0.221 69.114 68.868 0.042 0.000 1.141 1216 T HN 2.129 nan 8.240 nan 0.000 0.494 1217 G N 1.862 110.660 108.800 -0.003 0.000 2.148 1217 G HA2 -0.203 3.753 3.960 -0.007 0.000 0.254 1217 G HA3 -0.203 3.753 3.960 -0.007 0.000 0.254 1217 G C -0.135 174.757 174.900 -0.014 0.000 0.981 1217 G CA 0.003 45.093 45.100 -0.016 0.000 0.670 1217 G HN 0.620 nan 8.290 nan 0.000 0.528 1218 Q N 0.839 120.634 119.800 -0.008 0.000 2.431 1218 Q HA 0.323 4.658 4.340 -0.007 0.000 0.249 1218 Q C -2.372 173.612 176.000 -0.027 0.000 1.025 1218 Q CA -2.052 53.747 55.803 -0.007 0.000 0.835 1218 Q CB 1.773 30.517 28.738 0.011 0.000 1.207 1218 Q HN 0.381 nan 8.270 nan 0.000 0.490 1219 P HA -0.143 nan 4.420 nan 0.000 0.256 1219 P C -0.370 176.897 177.300 -0.054 0.000 1.173 1219 P CA 0.668 63.741 63.100 -0.046 0.000 0.768 1219 P CB 0.307 31.984 31.700 -0.038 0.000 0.758 1220 E N 0.756 120.916 120.200 -0.065 0.000 2.660 1220 E HA -0.282 4.064 4.350 -0.007 0.000 0.260 1220 E C 0.941 177.450 176.600 -0.151 0.000 1.122 1220 E CA 0.477 56.822 56.400 -0.092 0.000 0.755 1220 E CB -1.501 28.157 29.700 -0.071 0.000 1.345 1220 E HN 0.559 nan 8.360 nan 0.000 0.421 1221 M N 0.114 119.627 119.600 -0.146 0.000 2.132 1221 M HA -0.088 4.387 4.480 -0.007 0.000 0.263 1221 M C 0.703 176.693 176.300 -0.516 0.000 1.065 1221 M CA 1.399 56.578 55.300 -0.203 0.000 1.122 1221 M CB 0.422 32.979 32.600 -0.071 0.000 1.365 1221 M HN 0.010 nan 8.290 nan 0.000 0.411 1222 V N 4.289 123.916 119.914 -0.477 0.000 2.381 1222 V HA 0.041 4.157 4.120 -0.007 0.000 0.257 1222 V C 0.155 175.797 176.094 -0.753 0.000 1.057 1222 V CA -0.137 61.710 62.300 -0.755 0.000 1.013 1222 V CB -0.392 31.307 31.823 -0.206 0.000 1.069 1222 V HN 0.230 nan 8.190 nan 0.000 0.484 1223 K N 3.669 123.304 120.400 -1.275 0.000 2.168 1223 K HA 0.266 4.582 4.320 -0.007 0.000 0.258 1223 K C 1.541 177.892 176.600 -0.415 0.000 1.010 1223 K CA 0.268 56.118 56.287 -0.727 0.000 0.929 1223 K CB 0.767 32.864 32.500 -0.672 0.000 0.998 1223 K HN 0.597 nan 8.250 nan 0.000 0.479 1224 G N 0.721 109.398 108.800 -0.206 0.000 2.448 1224 G HA2 -0.265 3.691 3.960 -0.007 0.000 0.219 1224 G HA3 -0.265 3.691 3.960 -0.007 0.000 0.219 1224 G C 1.340 176.234 174.900 -0.009 0.000 1.127 1224 G CA 0.653 45.697 45.100 -0.094 0.000 0.766 1224 G HN 0.647 nan 8.290 nan 0.000 0.552 1225 E N 0.055 120.270 120.200 0.025 0.000 2.153 1225 E HA -0.107 4.238 4.350 -0.007 0.000 0.194 1225 E C 1.982 178.749 176.600 0.278 0.000 0.988 1225 E CA 0.922 57.406 56.400 0.139 0.000 0.811 1225 E CB -0.284 29.523 29.700 0.177 0.000 0.746 1225 E HN 0.572 nan 8.360 nan 0.000 0.466 1226 W N 0.773 122.065 121.300 -0.013 0.000 2.436 1226 W HA 0.083 4.739 4.660 -0.007 0.000 0.284 1226 W C 0.392 176.902 176.519 -0.016 0.000 1.225 1226 W CA -0.209 57.128 57.345 -0.013 0.000 1.271 1226 W CB -0.691 28.766 29.460 -0.006 0.000 1.114 1226 W HN -0.042 nan 8.180 nan 0.000 0.559 1227 I N 2.340 123.036 120.570 0.211 0.000 2.752 1227 I HA -0.121 4.044 4.170 -0.007 0.000 0.289 1227 I C 0.851 177.011 176.117 0.071 0.000 1.197 1227 I CA -0.418 60.949 61.300 0.111 0.000 1.432 1227 I CB -0.699 37.331 38.000 0.050 0.000 1.359 1227 I HN -0.093 nan 8.210 nan 0.000 0.571 1228 K N 8.203 128.636 120.400 0.054 0.000 2.298 1228 K HA 0.250 4.566 4.320 -0.007 0.000 0.280 1228 K C -2.378 174.235 176.600 0.022 0.000 1.032 1228 K CA -1.345 54.959 56.287 0.028 0.000 0.958 1228 K CB 0.627 33.137 32.500 0.016 0.000 0.978 1228 K HN 0.234 nan 8.250 nan 0.000 0.472 1229 P HA 0.013 nan 4.420 nan 0.000 0.262 1229 P C -0.070 177.235 177.300 0.009 0.000 1.199 1229 P CA 0.838 63.940 63.100 0.003 0.000 0.763 1229 P CB 0.692 32.391 31.700 -0.002 0.000 0.790 1230 G N 2.319 111.123 108.800 0.006 0.000 2.141 1230 G HA2 -0.117 3.839 3.960 -0.007 0.000 0.242 1230 G HA3 -0.117 3.839 3.960 -0.007 0.000 0.242 1230 G C 0.405 175.340 174.900 0.059 0.000 0.982 1230 G CA -0.125 44.988 45.100 0.022 0.000 0.662 1230 G HN 0.808 nan 8.290 nan 0.000 0.527 1231 A N -0.372 122.481 122.820 0.055 0.000 2.332 1231 A HA 0.755 5.071 4.320 -0.007 0.000 0.258 1231 A C 0.477 178.130 177.584 0.116 0.000 1.087 1231 A CA -0.178 51.906 52.037 0.078 0.000 0.802 1231 A CB 0.472 19.509 19.000 0.061 0.000 1.042 1231 A HN 0.760 nan 8.150 nan 0.000 0.489 1232 I N 1.681 122.325 120.570 0.124 0.000 2.304 1232 I HA 0.250 4.416 4.170 -0.007 0.000 0.291 1232 I C -0.768 175.411 176.117 0.102 0.000 1.018 1232 I CA -0.329 61.059 61.300 0.147 0.000 1.260 1232 I CB 1.386 39.440 38.000 0.091 0.000 1.390 1232 I HN 0.235 nan 8.210 nan 0.000 0.475 1233 V N 7.646 127.623 119.914 0.106 0.000 2.347 1233 V HA 0.381 4.497 4.120 -0.007 0.000 0.280 1233 V C 0.071 176.216 176.094 0.085 0.000 1.021 1233 V CA -0.544 61.806 62.300 0.083 0.000 0.847 1233 V CB 1.511 33.373 31.823 0.065 0.000 0.990 1233 V HN 0.403 nan 8.190 nan 0.000 0.444 1234 I N 3.900 124.512 120.570 0.069 0.000 2.355 1234 I HA 0.428 4.594 4.170 -0.007 0.000 0.288 1234 I C -0.401 175.747 176.117 0.052 0.000 0.999 1234 I CA -0.353 60.982 61.300 0.059 0.000 1.163 1234 I CB 1.484 39.510 38.000 0.044 0.000 1.316 1234 I HN 0.555 nan 8.210 nan 0.000 0.454 1235 D N 5.362 125.793 120.400 0.052 0.000 2.414 1235 D HA 0.280 4.915 4.640 -0.007 0.000 0.232 1235 D C 0.382 176.692 176.300 0.016 0.000 1.070 1235 D CA -0.313 53.709 54.000 0.037 0.000 0.839 1235 D CB 1.447 42.277 40.800 0.049 0.000 1.079 1235 D HN 0.503 nan 8.370 nan 0.000 0.521 1236 C N 2.910 122.215 119.300 0.008 0.000 2.696 1236 C HA 0.382 4.837 4.460 -0.007 0.000 0.264 1236 C C 1.445 176.419 174.990 -0.027 0.000 1.288 1236 C CA -0.270 58.744 59.018 -0.006 0.000 1.717 1236 C CB -0.781 26.959 27.740 0.000 0.000 1.893 1236 C HN 0.682 nan 8.230 nan 0.000 0.577 1237 G N 0.831 109.613 108.800 -0.031 0.000 2.380 1237 G HA2 0.413 4.369 3.960 -0.007 0.000 0.242 1237 G HA3 0.413 4.369 3.960 -0.007 0.000 0.242 1237 G C -0.425 174.415 174.900 -0.100 0.000 1.298 1237 G CA 0.143 45.208 45.100 -0.059 0.000 0.878 1237 G HN 0.512 nan 8.290 nan 0.000 0.542 1238 I N 2.969 123.449 120.570 -0.150 0.000 2.641 1238 I HA 0.165 4.331 4.170 -0.007 0.000 0.275 1238 I C -0.758 175.104 176.117 -0.425 0.000 1.129 1238 I CA -0.623 60.519 61.300 -0.264 0.000 1.094 1238 I CB 0.771 38.643 38.000 -0.213 0.000 1.232 1238 I HN 0.374 nan 8.210 nan 0.000 0.503 1239 N N 5.305 123.769 118.700 -0.394 0.000 2.372 1239 N HA 0.397 5.132 4.740 -0.007 0.000 0.285 1239 N C -1.168 174.121 175.510 -0.369 0.000 1.008 1239 N CA -0.519 52.322 53.050 -0.348 0.000 0.880 1239 N CB 2.039 40.434 38.487 -0.153 0.000 1.239 1239 N HN 0.296 nan 8.380 nan 0.000 0.484 1240 Y N 0.514 120.815 120.300 0.002 0.000 2.304 1240 Y HA 0.399 4.944 4.550 -0.008 0.000 0.328 1240 Y C 0.461 176.360 175.900 -0.001 0.000 1.123 1240 Y CA -0.687 57.413 58.100 0.000 0.000 1.218 1240 Y CB 1.195 39.658 38.460 0.004 0.000 1.207 1240 Y HN 0.097 nan 8.280 nan 0.000 0.495 1241 V N 4.726 124.736 119.914 0.161 0.000 2.623 1241 V HA 0.320 4.436 4.120 -0.007 0.000 0.304 1241 V C -2.529 173.607 176.094 0.070 0.000 1.054 1241 V CA -2.548 59.803 62.300 0.084 0.000 0.882 1241 V CB 2.006 33.855 31.823 0.044 0.000 1.002 1241 V HN 0.569 nan 8.190 nan 0.000 0.424 1242 P HA 0.234 nan 4.420 nan 0.000 0.265 1242 P C -0.925 176.389 177.300 0.023 0.000 1.193 1242 P CA 0.358 63.475 63.100 0.029 0.000 0.765 1242 P CB 0.358 32.070 31.700 0.020 0.000 0.823 1243 D N 1.859 122.269 120.400 0.017 0.000 2.318 1243 D HA 0.047 4.682 4.640 -0.007 0.000 0.233 1243 D C 0.031 176.335 176.300 0.007 0.000 1.348 1243 D CA -0.334 53.673 54.000 0.013 0.000 0.983 1243 D CB 0.245 41.055 40.800 0.017 0.000 1.416 1243 D HN 0.238 nan 8.370 nan 0.000 0.558 1244 D N 1.769 122.172 120.400 0.004 0.000 2.384 1244 D HA -0.135 4.500 4.640 -0.007 0.000 0.222 1244 D C 0.871 177.171 176.300 0.001 0.000 0.976 1244 D CA 0.873 54.874 54.000 0.001 0.000 0.915 1244 D CB 0.148 40.949 40.800 0.000 0.000 0.896 1244 D HN 0.301 nan 8.370 nan 0.000 0.523 1245 K N -0.492 119.910 120.400 0.003 0.000 2.404 1245 K HA 0.090 4.405 4.320 -0.007 0.000 0.194 1245 K C 0.243 176.844 176.600 0.002 0.000 1.023 1245 K CA 0.001 56.290 56.287 0.002 0.000 1.094 1245 K CB 0.398 32.900 32.500 0.003 0.000 0.841 1245 K HN -0.008 nan 8.250 nan 0.000 0.523 1246 K N 0.525 120.927 120.400 0.002 0.000 2.123 1246 K HA 0.191 4.507 4.320 -0.007 0.000 0.259 1246 K C -2.039 174.560 176.600 -0.002 0.000 0.960 1246 K CA -2.256 54.032 56.287 0.002 0.000 0.872 1246 K CB 1.302 33.806 32.500 0.007 0.000 1.079 1246 K HN -0.307 nan 8.250 nan 0.000 0.440 1247 P HA -0.197 nan 4.420 nan 0.000 0.217 1247 P C 0.471 177.765 177.300 -0.011 0.000 1.151 1247 P CA 1.521 64.618 63.100 -0.006 0.000 0.849 1247 P CB 0.259 31.956 31.700 -0.005 0.000 0.787 1248 N N -2.373 116.320 118.700 -0.013 0.000 2.214 1248 N HA 0.148 4.884 4.740 -0.007 0.000 0.214 1248 N C 0.953 176.448 175.510 -0.025 0.000 1.132 1248 N CA 0.419 53.455 53.050 -0.024 0.000 0.856 1248 N CB -0.544 37.923 38.487 -0.034 0.000 1.020 1248 N HN 0.138 nan 8.380 nan 0.000 0.509 1249 G N 1.143 109.935 108.800 -0.014 0.000 2.160 1249 G HA2 -0.329 3.626 3.960 -0.007 0.000 0.251 1249 G HA3 -0.329 3.626 3.960 -0.007 0.000 0.251 1249 G C -0.206 174.691 174.900 -0.005 0.000 1.008 1249 G CA 0.472 45.566 45.100 -0.011 0.000 0.724 1249 G HN 0.903 nan 8.290 nan 0.000 0.514 1250 R N -1.319 119.182 120.500 0.003 0.000 2.634 1250 R HA 0.639 4.975 4.340 -0.007 0.000 0.263 1250 R C -0.557 175.777 176.300 0.057 0.000 1.060 1250 R CA -0.756 55.361 56.100 0.028 0.000 0.898 1250 R CB 1.048 31.354 30.300 0.010 0.000 1.253 1250 R HN 0.385 nan 8.270 nan 0.000 0.461 1251 K N 1.187 121.635 120.400 0.081 0.000 2.238 1251 K HA 0.652 4.968 4.320 -0.007 0.000 0.239 1251 K C -1.045 175.628 176.600 0.122 0.000 0.987 1251 K CA -1.035 55.297 56.287 0.075 0.000 0.857 1251 K CB 2.306 34.826 32.500 0.033 0.000 1.154 1251 K HN 0.253 nan 8.250 nan 0.000 0.439 1252 V N 1.872 121.829 119.914 0.073 0.000 2.417 1252 V HA 0.393 4.508 4.120 -0.007 0.000 0.291 1252 V C -0.318 175.742 176.094 -0.056 0.000 1.024 1252 V CA -0.821 61.485 62.300 0.010 0.000 0.861 1252 V CB 1.097 32.933 31.823 0.022 0.000 0.985 1252 V HN 0.693 nan 8.190 nan 0.000 0.436 1253 V N 2.011 121.872 119.914 -0.089 0.000 2.864 1253 V HA 1.044 5.159 4.120 -0.007 0.000 0.314 1253 V C 0.452 176.490 176.094 -0.094 0.000 1.073 1253 V CA -0.092 62.161 62.300 -0.079 0.000 0.956 1253 V CB 1.559 33.351 31.823 -0.051 0.000 1.023 1253 V HN 0.842 nan 8.190 nan 0.000 0.435 1254 G N 0.959 109.718 108.800 -0.068 0.000 2.509 1254 G HA2 0.367 4.323 3.960 -0.007 0.000 0.269 1254 G HA3 0.367 4.323 3.960 -0.007 0.000 0.269 1254 G C -0.049 174.822 174.900 -0.048 0.000 1.416 1254 G CA 0.070 45.136 45.100 -0.056 0.000 1.052 1254 G HN 0.763 nan 8.290 nan 0.000 0.542 1255 D N -1.162 119.218 120.400 -0.034 0.000 2.339 1255 D HA 0.140 4.776 4.640 -0.007 0.000 0.217 1255 D C 0.539 176.810 176.300 -0.049 0.000 1.050 1255 D CA 0.273 54.251 54.000 -0.036 0.000 0.856 1255 D CB 0.842 41.632 40.800 -0.017 0.000 0.922 1255 D HN -0.010 nan 8.370 nan 0.000 0.518 1256 V N 0.889 120.785 119.914 -0.031 0.000 2.581 1256 V HA 0.543 4.658 4.120 -0.007 0.000 0.303 1256 V C 0.165 176.241 176.094 -0.031 0.000 1.041 1256 V CA -1.255 61.018 62.300 -0.045 0.000 0.907 1256 V CB 1.902 33.729 31.823 0.006 0.000 0.994 1256 V HN 0.020 nan 8.190 nan 0.000 0.442 1257 A N 3.111 125.879 122.820 -0.087 0.000 2.990 1257 A HA 0.223 4.539 4.320 -0.007 0.000 0.282 1257 A C 0.843 178.425 177.584 -0.003 0.000 1.688 1257 A CA -0.143 51.860 52.037 -0.057 0.000 1.391 1257 A CB -0.905 18.018 19.000 -0.128 0.000 1.112 1257 A HN 0.951 nan 8.150 nan 0.000 0.588 1258 Y N 1.936 122.199 120.300 -0.063 0.000 2.030 1258 Y HA -0.374 4.171 4.550 -0.007 0.000 0.272 1258 Y C 1.787 177.665 175.900 -0.037 0.000 1.185 1258 Y CA 2.819 60.894 58.100 -0.042 0.000 1.120 1258 Y CB 0.050 38.491 38.460 -0.031 0.000 0.955 1258 Y HN 0.689 nan 8.280 nan 0.000 0.495 1259 D N -0.229 120.213 120.400 0.071 0.000 2.158 1259 D HA -0.192 4.444 4.640 -0.007 0.000 0.197 1259 D C 1.843 178.076 176.300 -0.112 0.000 0.995 1259 D CA 2.022 56.011 54.000 -0.019 0.000 0.846 1259 D CB -0.186 40.645 40.800 0.051 0.000 0.941 1259 D HN 0.554 nan 8.370 nan 0.000 0.456 1260 E N 0.041 120.181 120.200 -0.099 0.000 2.340 1260 E HA 0.159 4.505 4.350 -0.007 0.000 0.194 1260 E C 1.868 178.395 176.600 -0.122 0.000 0.996 1260 E CA 0.514 56.856 56.400 -0.097 0.000 0.869 1260 E CB -0.035 29.620 29.700 -0.074 0.000 0.835 1260 E HN 0.190 nan 8.360 nan 0.000 0.493 1261 A N 1.815 124.542 122.820 -0.156 0.000 1.970 1261 A HA -0.164 4.152 4.320 -0.007 0.000 0.216 1261 A C 1.958 179.418 177.584 -0.206 0.000 1.170 1261 A CA 1.375 53.323 52.037 -0.148 0.000 0.645 1261 A CB -0.416 18.512 19.000 -0.119 0.000 0.816 1261 A HN 0.241 nan 8.150 nan 0.000 0.447 1262 K N -0.479 119.703 120.400 -0.362 0.000 2.362 1262 K HA -0.089 4.226 4.320 -0.007 0.000 0.200 1262 K C 0.824 177.293 176.600 -0.219 0.000 1.046 1262 K CA 1.387 57.441 56.287 -0.388 0.000 0.952 1262 K CB -0.032 32.078 32.500 -0.651 0.000 0.753 1262 K HN 0.285 nan 8.250 nan 0.000 0.466 1263 E N 0.785 120.885 120.200 -0.167 0.000 2.318 1263 E HA 0.009 4.355 4.350 -0.007 0.000 0.193 1263 E C 1.844 178.393 176.600 -0.086 0.000 0.998 1263 E CA 0.459 56.793 56.400 -0.110 0.000 0.859 1263 E CB 0.210 29.858 29.700 -0.086 0.000 0.812 1263 E HN 0.349 nan 8.360 nan 0.000 0.492 1264 R N 0.519 120.970 120.500 -0.081 0.000 2.123 1264 R HA 0.255 4.591 4.340 -0.007 0.000 0.209 1264 R C 1.108 177.380 176.300 -0.046 0.000 1.078 1264 R CA 0.431 56.501 56.100 -0.051 0.000 1.028 1264 R CB -0.257 30.025 30.300 -0.029 0.000 0.939 1264 R HN -0.017 nan 8.270 nan 0.000 0.463 1265 A N 1.082 123.869 122.820 -0.056 0.000 2.366 1265 A HA 0.168 4.484 4.320 -0.007 0.000 0.249 1265 A C 1.242 178.783 177.584 -0.071 0.000 1.084 1265 A CA 0.255 52.272 52.037 -0.033 0.000 0.794 1265 A CB 0.474 19.465 19.000 -0.014 0.000 1.034 1265 A HN 0.363 nan 8.150 nan 0.000 0.491 1266 S N -0.199 115.474 115.700 -0.044 0.000 2.439 1266 S HA 0.305 4.771 4.470 -0.007 0.000 0.224 1266 S C 0.001 174.309 174.600 -0.487 0.000 1.029 1266 S CA 0.312 58.392 58.200 -0.201 0.000 0.946 1266 S CB -0.193 62.982 63.200 -0.041 0.000 0.797 1266 S HN 0.495 nan 8.310 nan 0.000 0.504 1267 F N 0.379 120.328 119.950 -0.002 0.000 2.581 1267 F HA 0.702 5.225 4.527 -0.007 0.000 0.311 1267 F C -0.616 175.191 175.800 0.013 0.000 1.113 1267 F CA -1.051 56.954 58.000 0.008 0.000 0.935 1267 F CB 2.038 41.047 39.000 0.015 0.000 1.232 1267 F HN 0.042 nan 8.300 nan 0.000 0.445 1268 I N 1.714 122.402 120.570 0.195 0.000 2.752 1268 I HA 0.449 4.615 4.170 -0.007 0.000 0.295 1268 I C -0.994 175.242 176.117 0.198 0.000 1.219 1268 I CA -0.511 60.881 61.300 0.154 0.000 1.030 1268 I CB 2.446 40.483 38.000 0.062 0.000 1.259 1268 I HN 0.677 nan 8.210 nan 0.000 0.423 1269 T N 4.957 119.619 114.554 0.179 0.000 2.743 1269 T HA 0.568 4.914 4.350 -0.007 0.000 0.293 1269 T C -2.488 172.314 174.700 0.169 0.000 0.945 1269 T CA -1.537 60.651 62.100 0.147 0.000 1.030 1269 T CB 0.991 69.912 68.868 0.089 0.000 0.912 1269 T HN 0.326 nan 8.240 nan 0.000 0.483 1270 P HA 0.435 nan 4.420 nan 0.000 0.276 1270 P C -0.998 176.204 177.300 -0.163 0.000 1.261 1270 P CA -0.637 62.358 63.100 -0.176 0.000 0.800 1270 P CB 0.964 32.526 31.700 -0.229 0.000 1.066 1271 V N 1.950 121.701 119.914 -0.271 0.000 2.524 1271 V HA 0.305 4.421 4.120 -0.007 0.000 0.297 1271 V C -1.931 174.058 176.094 -0.174 0.000 1.035 1271 V CA -1.493 60.712 62.300 -0.157 0.000 0.867 1271 V CB 1.615 33.372 31.823 -0.111 0.000 1.004 1271 V HN 0.632 nan 8.190 nan 0.000 0.426 1272 P HA 0.476 nan 4.420 nan 0.000 0.277 1272 P C 0.647 177.908 177.300 -0.065 0.000 1.271 1272 P CA 0.498 63.559 63.100 -0.065 0.000 0.795 1272 P CB 1.390 33.077 31.700 -0.021 0.000 1.101 1273 G N -1.729 107.051 108.800 -0.034 0.000 2.163 1273 G HA2 -0.124 3.831 3.960 -0.007 0.000 0.213 1273 G HA3 -0.124 3.831 3.960 -0.007 0.000 0.213 1273 G C 0.575 175.469 174.900 -0.010 0.000 0.991 1273 G CA 0.239 45.326 45.100 -0.021 0.000 0.653 1273 G HN 0.874 nan 8.290 nan 0.000 0.518 1274 G N -0.370 108.423 108.800 -0.011 0.000 2.529 1274 G HA2 0.399 4.354 3.960 -0.007 0.000 0.220 1274 G HA3 0.399 4.354 3.960 -0.007 0.000 0.220 1274 G C 1.453 176.359 174.900 0.011 0.000 1.976 1274 G CA 1.106 46.212 45.100 0.010 0.000 0.789 1274 G HN 0.706 nan 8.290 nan 0.000 0.695 1275 V N 1.884 121.802 119.914 0.007 0.000 2.453 1275 V HA 0.026 4.142 4.120 -0.007 0.000 0.247 1275 V C 3.146 179.238 176.094 -0.003 0.000 1.048 1275 V CA 1.983 64.286 62.300 0.004 0.000 1.049 1275 V CB -0.968 30.856 31.823 0.003 0.000 0.672 1275 V HN 0.507 nan 8.190 nan 0.000 0.457 1276 G N 1.198 109.993 108.800 -0.008 0.000 2.553 1276 G HA2 -0.248 3.708 3.960 -0.007 0.000 0.218 1276 G HA3 -0.248 3.708 3.960 -0.007 0.000 0.218 1276 G C -0.192 174.707 174.900 -0.002 0.000 1.195 1276 G CA 1.339 46.434 45.100 -0.008 0.000 0.779 1276 G HN 0.521 nan 8.290 nan 0.000 0.577 1277 P HA 0.015 nan 4.420 nan 0.000 0.228 1277 P C 1.981 179.285 177.300 0.006 0.000 1.151 1277 P CA 0.738 63.843 63.100 0.008 0.000 0.770 1277 P CB 0.075 31.781 31.700 0.010 0.000 0.786 1278 M N -1.321 118.281 119.600 0.004 0.000 2.349 1278 M HA -0.043 4.433 4.480 -0.007 0.000 0.266 1278 M C 2.049 178.349 176.300 0.001 0.000 1.076 1278 M CA 1.793 57.096 55.300 0.005 0.000 1.126 1278 M CB -1.892 30.711 32.600 0.006 0.000 1.392 1278 M HN 0.095 nan 8.290 nan 0.000 0.440 1279 T N -0.853 113.696 114.554 -0.008 0.000 2.665 1279 T HA -0.105 4.241 4.350 -0.007 0.000 0.268 1279 T C 1.835 176.524 174.700 -0.017 0.000 1.035 1279 T CA 1.783 63.872 62.100 -0.018 0.000 1.151 1279 T CB -1.070 67.775 68.868 -0.039 0.000 0.862 1279 T HN 0.166 nan 8.240 nan 0.000 0.438 1280 V N 2.271 122.177 119.914 -0.013 0.000 2.515 1280 V HA -0.004 4.112 4.120 -0.007 0.000 0.250 1280 V C 3.273 179.367 176.094 0.000 0.000 1.058 1280 V CA 1.407 63.701 62.300 -0.009 0.000 1.064 1280 V CB -1.497 30.325 31.823 -0.001 0.000 0.675 1280 V HN 0.727 nan 8.190 nan 0.000 0.461 1281 A N -0.302 122.521 122.820 0.005 0.000 1.898 1281 A HA -0.180 4.136 4.320 -0.007 0.000 0.216 1281 A C 2.230 179.824 177.584 0.016 0.000 1.181 1281 A CA 1.791 53.835 52.037 0.012 0.000 0.620 1281 A CB -0.422 18.586 19.000 0.013 0.000 0.819 1281 A HN 0.388 nan 8.150 nan 0.000 0.442 1282 M N -0.939 118.669 119.600 0.013 0.000 2.117 1282 M HA -0.112 4.364 4.480 -0.007 0.000 0.262 1282 M C 2.178 178.493 176.300 0.026 0.000 1.065 1282 M CA 1.280 56.593 55.300 0.021 0.000 1.114 1282 M CB -1.413 31.197 32.600 0.017 0.000 1.361 1282 M HN 0.479 nan 8.290 nan 0.000 0.408 1283 L N 0.603 121.832 121.223 0.009 0.000 2.046 1283 L HA -0.147 4.189 4.340 -0.007 0.000 0.208 1283 L C 2.228 179.107 176.870 0.014 0.000 1.077 1283 L CA 1.683 56.523 54.840 0.000 0.000 0.747 1283 L CB -0.545 41.502 42.059 -0.021 0.000 0.896 1283 L HN 0.158 nan 8.230 nan 0.000 0.432 1284 M N -0.901 118.709 119.600 0.017 0.000 2.159 1284 M HA -0.221 4.255 4.480 -0.007 0.000 0.263 1284 M C 2.329 178.655 176.300 0.044 0.000 1.063 1284 M CA 1.636 56.951 55.300 0.026 0.000 1.110 1284 M CB -1.278 31.335 32.600 0.021 0.000 1.374 1284 M HN 0.500 nan 8.290 nan 0.000 0.411 1285 Q N -0.206 119.622 119.800 0.047 0.000 2.119 1285 Q HA -0.101 4.235 4.340 -0.007 0.000 0.201 1285 Q C 2.026 178.083 176.000 0.094 0.000 0.972 1285 Q CA 1.751 57.590 55.803 0.059 0.000 0.847 1285 Q CB 0.212 28.979 28.738 0.048 0.000 0.903 1285 Q HN 0.435 nan 8.270 nan 0.000 0.433 1286 S N -0.249 115.519 115.700 0.114 0.000 2.402 1286 S HA -0.111 4.355 4.470 -0.007 0.000 0.229 1286 S C 1.870 176.609 174.600 0.232 0.000 1.021 1286 S CA 1.476 59.806 58.200 0.217 0.000 0.974 1286 S CB -0.262 63.059 63.200 0.201 0.000 0.800 1286 S HN 0.465 nan 8.310 nan 0.000 0.484 1287 T N 2.065 116.688 114.554 0.115 0.000 2.777 1287 T HA -0.028 4.318 4.350 -0.007 0.000 0.266 1287 T C 1.962 176.740 174.700 0.130 0.000 1.040 1287 T CA 1.095 63.255 62.100 0.100 0.000 1.141 1287 T CB -0.372 68.527 68.868 0.052 0.000 0.868 1287 T HN 0.205 nan 8.240 nan 0.000 0.444 1288 V N 1.592 121.570 119.914 0.107 0.000 2.343 1288 V HA -0.171 3.945 4.120 -0.007 0.000 0.247 1288 V C 2.461 178.627 176.094 0.120 0.000 1.051 1288 V CA 1.615 63.974 62.300 0.098 0.000 1.036 1288 V CB -0.650 31.218 31.823 0.075 0.000 0.654 1288 V HN 0.534 nan 8.190 nan 0.000 0.451 1289 E N 0.905 121.187 120.200 0.137 0.000 2.058 1289 E HA -0.226 4.120 4.350 -0.007 0.000 0.194 1289 E C 2.409 179.106 176.600 0.161 0.000 0.997 1289 E CA 1.877 58.348 56.400 0.119 0.000 0.801 1289 E CB -0.302 29.458 29.700 0.100 0.000 0.746 1289 E HN 0.761 nan 8.360 nan 0.000 0.450 1290 S N 1.021 116.906 115.700 0.307 0.000 2.368 1290 S HA -0.139 4.326 4.470 -0.007 0.000 0.225 1290 S C 2.261 177.040 174.600 0.298 0.000 1.030 1290 S CA 0.975 59.407 58.200 0.387 0.000 0.999 1290 S CB -0.295 63.218 63.200 0.521 0.000 0.844 1290 S HN 0.298 nan 8.310 nan 0.000 0.459 1291 A N 2.317 125.258 122.820 0.202 0.000 1.902 1291 A HA -0.047 4.269 4.320 -0.007 0.000 0.217 1291 A C 2.290 180.013 177.584 0.231 0.000 1.181 1291 A CA 1.553 53.639 52.037 0.082 0.000 0.623 1291 A CB -0.567 18.409 19.000 -0.040 0.000 0.818 1291 A HN 0.596 nan 8.150 nan 0.000 0.443 1292 K N -0.871 119.619 120.400 0.149 0.000 2.155 1292 K HA -0.036 4.280 4.320 -0.007 0.000 0.203 1292 K C 2.272 178.900 176.600 0.048 0.000 1.052 1292 K CA 0.971 57.295 56.287 0.061 0.000 0.948 1292 K CB -0.125 32.397 32.500 0.036 0.000 0.728 1292 K HN 0.351 nan 8.250 nan 0.000 0.448 1293 R N -0.181 120.379 120.500 0.099 0.000 2.090 1293 R HA -0.075 4.261 4.340 -0.007 0.000 0.228 1293 R C 2.168 178.545 176.300 0.128 0.000 1.110 1293 R CA 1.026 57.173 56.100 0.078 0.000 0.973 1293 R CB -0.186 30.155 30.300 0.068 0.000 0.869 1293 R HN 0.168 nan 8.270 nan 0.000 0.440 1294 F N 1.260 121.267 119.950 0.095 0.000 2.113 1294 F HA -0.177 4.347 4.527 -0.005 0.000 0.297 1294 F C 1.985 177.823 175.800 0.064 0.000 1.103 1294 F CA 1.026 59.113 58.000 0.145 0.000 1.248 1294 F CB -0.359 38.838 39.000 0.328 0.000 0.999 1294 F HN -0.086 nan 8.300 nan 0.000 0.475 1295 L N 1.140 122.364 121.223 0.002 0.000 2.081 1295 L HA -0.135 4.201 4.340 -0.007 0.000 0.212 1295 L C 1.282 177.983 176.870 -0.282 0.000 1.080 1295 L CA 1.560 56.217 54.840 -0.306 0.000 0.754 1295 L CB -0.962 40.790 42.059 -0.513 0.000 0.893 1295 L HN 0.286 nan 8.230 nan 0.000 0.433 1296 E N 0.000 120.092 120.200 -0.179 0.000 2.725 1296 E HA 0.000 4.346 4.350 -0.007 0.000 0.291 1296 E CA 0.000 56.312 56.400 -0.146 0.000 0.976 1296 E CB 0.000 29.645 29.700 -0.092 0.000 0.812 1296 E HN 0.000 nan 8.360 nan 0.000 0.440