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 1nv1_1_A DATA FIRST_RESID 1007 DATA SEQUENCE DTNIVTLTRF VMEEGRKARG TGEMTQLLNS LCTAVKAIST AVRKAGIAHL DATA SEQUENCE YGIAGSTNVT GDQVKKLDVL SNDLVINVLK SSFATCVLVS EEDKNAIIVE DATA SEQUENCE PEKRGKYVVC FDPLDGSSNI DCLVSIGTIF GIYRKNSTDE PSEKDALQPG DATA SEQUENCE RNLVAAGYAL YGSATMLVLA MVNGVNCFML DPAIGEFILV DRDVKIKKKG DATA SEQUENCE SIYSINEGYA KEFDPAITEY IQRKKFPPDN SAPYGARYVG SMVADVHRTL DATA SEQUENCE VYGGIFMYPA NKKSPKGKLR LLYECNPMAY VMEKAGGLAT TGKEAVLDIV DATA SEQUENCE PTDIHQRAPI ILGSPEDVTE LLEIYQKHAA K 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 1007 D HA 0.000 nan 4.640 nan 0.000 0.175 1007 D C 0.000 176.309 176.300 0.015 0.000 2.045 1007 D CA 0.000 54.009 54.000 0.015 0.000 0.868 1007 D CB 0.000 40.807 40.800 0.011 0.000 0.688 1008 T N -1.179 113.384 114.554 0.015 0.000 3.258 1008 T HA 0.408 4.743 4.350 -0.025 0.000 0.263 1008 T C -0.116 174.595 174.700 0.019 0.000 0.983 1008 T CA -0.406 61.703 62.100 0.015 0.000 0.907 1008 T CB -0.412 68.463 68.868 0.011 0.000 1.096 1008 T HN 0.117 nan 8.240 nan 0.000 0.556 1009 N N 1.172 119.887 118.700 0.024 0.000 2.722 1009 N HA 0.335 5.060 4.740 -0.025 0.000 0.242 1009 N C -1.345 174.191 175.510 0.043 0.000 1.398 1009 N CA -0.603 52.466 53.050 0.031 0.000 0.755 1009 N CB 0.249 38.754 38.487 0.029 0.000 1.268 1009 N HN 0.279 nan 8.380 nan 0.000 0.522 1010 I N 1.110 121.708 120.570 0.046 0.000 2.421 1010 I HA 0.152 4.306 4.170 -0.025 0.000 0.291 1010 I C 0.246 176.415 176.117 0.087 0.000 1.089 1010 I CA -0.708 60.629 61.300 0.060 0.000 1.354 1010 I CB 0.676 38.706 38.000 0.050 0.000 1.413 1010 I HN 0.063 nan 8.210 nan 0.000 0.513 1011 V N 6.570 126.552 119.914 0.113 0.000 2.287 1011 V HA 0.119 4.224 4.120 -0.025 0.000 0.246 1011 V C 1.027 177.257 176.094 0.226 0.000 1.165 1011 V CA -0.313 62.090 62.300 0.171 0.000 1.088 1011 V CB -0.843 31.099 31.823 0.199 0.000 1.242 1011 V HN 0.946 nan 8.190 nan 0.000 0.497 1012 T N 1.349 116.012 114.554 0.181 0.000 2.816 1012 T HA 0.334 4.669 4.350 -0.025 0.000 0.282 1012 T C 1.250 176.029 174.700 0.133 0.000 0.993 1012 T CA -0.442 61.757 62.100 0.165 0.000 0.994 1012 T CB 1.406 70.331 68.868 0.094 0.000 1.025 1012 T HN 0.308 nan 8.240 nan 0.000 0.529 1013 L N 0.844 122.025 121.223 -0.070 0.000 2.042 1013 L HA -0.096 4.229 4.340 -0.025 0.000 0.210 1013 L C 2.675 179.420 176.870 -0.209 0.000 1.076 1013 L CA 2.010 56.519 54.840 -0.551 0.000 0.749 1013 L CB -1.019 40.581 42.059 -0.765 0.000 0.893 1013 L HN 0.945 nan 8.230 nan 0.000 0.432 1014 T N -0.481 114.023 114.554 -0.083 0.000 2.622 1014 T HA -0.269 4.066 4.350 -0.025 0.000 0.266 1014 T C 1.970 176.685 174.700 0.025 0.000 1.047 1014 T CA 1.744 63.825 62.100 -0.033 0.000 1.159 1014 T CB -0.318 68.544 68.868 -0.010 0.000 0.863 1014 T HN 0.346 nan 8.240 nan 0.000 0.422 1015 R N -0.236 120.302 120.500 0.064 0.000 2.096 1015 R HA -0.121 4.204 4.340 -0.025 0.000 0.240 1015 R C 2.304 178.675 176.300 0.119 0.000 1.139 1015 R CA 1.636 57.786 56.100 0.083 0.000 0.952 1015 R CB -0.613 29.745 30.300 0.098 0.000 0.854 1015 R HN 0.423 nan 8.270 nan 0.000 0.436 1016 F N 0.586 120.562 119.950 0.045 0.000 2.095 1016 F HA -0.219 4.293 4.527 -0.024 0.000 0.298 1016 F C 2.076 177.900 175.800 0.040 0.000 1.104 1016 F CA 1.588 59.641 58.000 0.089 0.000 1.232 1016 F CB -0.082 39.058 39.000 0.233 0.000 0.987 1016 F HN -0.177 nan 8.300 nan 0.000 0.475 1017 V N 0.050 120.102 119.914 0.229 0.000 2.871 1017 V HA -0.256 3.848 4.120 -0.025 0.000 0.256 1017 V C 2.216 178.329 176.094 0.032 0.000 1.082 1017 V CA 1.473 63.848 62.300 0.125 0.000 1.105 1017 V CB -0.372 31.477 31.823 0.043 0.000 0.713 1017 V HN 0.400 nan 8.190 nan 0.000 0.473 1018 M N -0.584 119.025 119.600 0.016 0.000 2.123 1018 M HA -0.123 4.342 4.480 -0.025 0.000 0.263 1018 M C 2.247 178.533 176.300 -0.023 0.000 1.069 1018 M CA 1.728 57.028 55.300 -0.001 0.000 1.133 1018 M CB -0.236 32.366 32.600 0.002 0.000 1.356 1018 M HN 0.371 nan 8.290 nan 0.000 0.415 1019 E N -0.241 119.928 120.200 -0.050 0.000 2.106 1019 E HA -0.232 4.103 4.350 -0.025 0.000 0.192 1019 E C 1.747 178.278 176.600 -0.116 0.000 0.984 1019 E CA 1.069 57.417 56.400 -0.088 0.000 0.806 1019 E CB -0.092 29.534 29.700 -0.123 0.000 0.750 1019 E HN 0.419 nan 8.360 nan 0.000 0.458 1020 E N 0.951 121.063 120.200 -0.147 0.000 2.031 1020 E HA -0.123 4.212 4.350 -0.025 0.000 0.193 1020 E C 1.804 178.382 176.600 -0.038 0.000 0.994 1020 E CA 1.526 57.857 56.400 -0.115 0.000 0.800 1020 E CB -0.388 29.274 29.700 -0.064 0.000 0.752 1020 E HN 0.204 nan 8.360 nan 0.000 0.447 1021 G N -0.579 108.214 108.800 -0.012 0.000 3.210 1021 G HA2 -0.075 3.870 3.960 -0.025 0.000 0.220 1021 G HA3 -0.075 3.870 3.960 -0.025 0.000 0.220 1021 G C 1.290 176.192 174.900 0.003 0.000 1.200 1021 G CA 0.122 45.228 45.100 0.009 0.000 0.834 1021 G HN 0.037 nan 8.290 nan 0.000 0.524 1022 R N 1.581 122.073 120.500 -0.013 0.000 2.043 1022 R HA 0.047 4.372 4.340 -0.025 0.000 0.221 1022 R C 2.799 179.095 176.300 -0.007 0.000 1.196 1022 R CA 1.356 57.448 56.100 -0.012 0.000 0.949 1022 R CB -0.280 30.006 30.300 -0.024 0.000 0.838 1022 R HN 0.180 nan 8.270 nan 0.000 0.446 1023 K N 0.487 120.880 120.400 -0.013 0.000 2.160 1023 K HA -0.076 4.228 4.320 -0.025 0.000 0.206 1023 K C 1.399 178.000 176.600 0.001 0.000 1.047 1023 K CA 1.799 58.081 56.287 -0.007 0.000 0.930 1023 K CB -0.595 31.899 32.500 -0.011 0.000 0.720 1023 K HN 0.240 nan 8.250 nan 0.000 0.450 1024 A N 1.574 124.397 122.820 0.005 0.000 2.261 1024 A HA 0.038 4.343 4.320 -0.025 0.000 0.208 1024 A C 0.384 177.979 177.584 0.019 0.000 1.223 1024 A CA -0.118 51.929 52.037 0.016 0.000 0.833 1024 A CB -0.408 18.607 19.000 0.024 0.000 0.830 1024 A HN 0.347 nan 8.150 nan 0.000 0.483 1025 R N -1.699 118.809 120.500 0.013 0.000 3.794 1025 R HA -0.197 4.128 4.340 -0.025 0.000 0.485 1025 R C 0.651 176.965 176.300 0.024 0.000 0.241 1025 R CA 1.737 57.845 56.100 0.015 0.000 1.522 1025 R CB -1.763 28.545 30.300 0.013 0.000 0.988 1025 R HN 2.003 nan 8.270 nan 0.000 0.570 1026 G N -2.961 105.855 108.800 0.026 0.000 2.576 1026 G HA2 -0.088 3.857 3.960 -0.025 0.000 0.686 1026 G HA3 -0.088 3.857 3.960 -0.025 0.000 0.686 1026 G C 0.476 175.397 174.900 0.035 0.000 1.242 1026 G CA 0.903 46.026 45.100 0.040 0.000 0.819 1026 G HN 1.113 nan 8.290 nan 0.000 0.655 1027 T N -1.501 113.079 114.554 0.042 0.000 3.072 1027 T HA 0.380 4.715 4.350 -0.025 0.000 0.266 1027 T C 2.380 177.105 174.700 0.043 0.000 1.127 1027 T CA 1.886 64.007 62.100 0.034 0.000 1.107 1027 T CB -0.149 68.737 68.868 0.030 0.000 0.910 1027 T HN 2.803 nan 8.240 nan 0.000 0.513 1028 G N 1.960 110.796 108.800 0.060 0.000 2.148 1028 G HA2 -0.296 3.649 3.960 -0.025 0.000 0.254 1028 G HA3 -0.296 3.649 3.960 -0.025 0.000 0.254 1028 G C 0.584 175.528 174.900 0.073 0.000 0.981 1028 G CA 0.442 45.574 45.100 0.053 0.000 0.670 1028 G HN 0.726 nan 8.290 nan 0.000 0.528 1029 E N -1.010 119.267 120.200 0.129 0.000 2.285 1029 E HA 0.087 4.422 4.350 -0.025 0.000 0.194 1029 E C 2.248 178.935 176.600 0.145 0.000 0.997 1029 E CA 0.959 57.457 56.400 0.163 0.000 0.845 1029 E CB -0.140 29.695 29.700 0.225 0.000 0.782 1029 E HN 0.546 nan 8.360 nan 0.000 0.491 1030 M N 2.099 121.774 119.600 0.124 0.000 2.117 1030 M HA -0.095 4.370 4.480 -0.025 0.000 0.262 1030 M C 2.023 178.264 176.300 -0.098 0.000 1.065 1030 M CA 1.848 57.080 55.300 -0.113 0.000 1.114 1030 M CB -0.614 31.912 32.600 -0.124 0.000 1.361 1030 M HN -0.045 nan 8.290 nan 0.000 0.408 1031 T N 0.383 114.916 114.554 -0.034 0.000 2.684 1031 T HA -0.210 4.125 4.350 -0.025 0.000 0.267 1031 T C 1.769 176.440 174.700 -0.049 0.000 1.036 1031 T CA 1.940 64.014 62.100 -0.044 0.000 1.148 1031 T CB -0.285 68.574 68.868 -0.015 0.000 0.863 1031 T HN 0.538 nan 8.240 nan 0.000 0.436 1032 Q N 0.047 119.840 119.800 -0.011 0.000 2.112 1032 Q HA -0.067 4.258 4.340 -0.025 0.000 0.206 1032 Q C 2.337 178.315 176.000 -0.036 0.000 0.987 1032 Q CA 1.058 56.863 55.803 0.004 0.000 0.858 1032 Q CB -0.279 28.496 28.738 0.062 0.000 0.905 1032 Q HN 0.338 nan 8.270 nan 0.000 0.420 1033 L N 0.406 121.587 121.223 -0.069 0.000 2.027 1033 L HA -0.158 4.167 4.340 -0.025 0.000 0.206 1033 L C 2.004 178.749 176.870 -0.207 0.000 1.074 1033 L CA 1.645 56.406 54.840 -0.131 0.000 0.745 1033 L CB -0.507 41.435 42.059 -0.194 0.000 0.898 1033 L HN 0.354 nan 8.230 nan 0.000 0.433 1034 L N -0.314 120.772 121.223 -0.228 0.000 2.109 1034 L HA -0.187 4.138 4.340 -0.025 0.000 0.207 1034 L C 2.276 178.999 176.870 -0.245 0.000 1.086 1034 L CA 0.709 55.372 54.840 -0.294 0.000 0.760 1034 L CB -0.650 41.245 42.059 -0.273 0.000 0.910 1034 L HN 0.314 nan 8.230 nan 0.000 0.437 1035 N N -0.190 118.415 118.700 -0.159 0.000 2.104 1035 N HA -0.149 4.576 4.740 -0.025 0.000 0.190 1035 N C 2.066 177.516 175.510 -0.100 0.000 1.024 1035 N CA 1.502 54.488 53.050 -0.106 0.000 0.853 1035 N CB -0.235 38.217 38.487 -0.058 0.000 1.008 1035 N HN 0.136 nan 8.380 nan 0.000 0.424 1036 S N 0.740 116.373 115.700 -0.112 0.000 2.356 1036 S HA -0.068 4.387 4.470 -0.025 0.000 0.223 1036 S C 1.861 176.367 174.600 -0.155 0.000 1.032 1036 S CA 0.486 58.619 58.200 -0.111 0.000 1.005 1036 S CB -0.359 62.776 63.200 -0.110 0.000 0.867 1036 S HN 0.197 nan 8.310 nan 0.000 0.449 1037 L N 1.556 122.638 121.223 -0.236 0.000 2.042 1037 L HA -0.106 4.219 4.340 -0.025 0.000 0.210 1037 L C 2.344 179.069 176.870 -0.242 0.000 1.076 1037 L CA 1.562 56.213 54.840 -0.314 0.000 0.749 1037 L CB -1.058 40.696 42.059 -0.508 0.000 0.893 1037 L HN 0.352 nan 8.230 nan 0.000 0.432 1038 C N -1.210 117.953 119.300 -0.228 0.000 2.413 1038 C HA -0.184 4.261 4.460 -0.025 0.000 0.277 1038 C C 2.665 177.712 174.990 0.094 0.000 1.265 1038 C CA 1.471 60.425 59.018 -0.107 0.000 1.752 1038 C CB -1.241 26.462 27.740 -0.062 0.000 1.998 1038 C HN 0.615 nan 8.230 nan 0.000 0.489 1039 T N 0.833 115.396 114.554 0.014 0.000 2.746 1039 T HA -0.124 4.211 4.350 -0.025 0.000 0.267 1039 T C 2.067 176.773 174.700 0.009 0.000 1.039 1039 T CA 1.679 63.791 62.100 0.021 0.000 1.142 1039 T CB -0.349 68.510 68.868 -0.016 0.000 0.866 1039 T HN 0.654 nan 8.240 nan 0.000 0.444 1040 A N 0.815 123.614 122.820 -0.034 0.000 1.930 1040 A HA -0.006 4.299 4.320 -0.025 0.000 0.217 1040 A C 2.549 180.147 177.584 0.024 0.000 1.175 1040 A CA 1.102 53.116 52.037 -0.038 0.000 0.627 1040 A CB -0.867 18.073 19.000 -0.101 0.000 0.815 1040 A HN 0.359 nan 8.150 nan 0.000 0.443 1041 V N 0.260 120.218 119.914 0.073 0.000 2.343 1041 V HA -0.284 3.821 4.120 -0.025 0.000 0.247 1041 V C 2.425 178.683 176.094 0.274 0.000 1.051 1041 V CA 2.351 64.789 62.300 0.230 0.000 1.036 1041 V CB -0.687 31.276 31.823 0.233 0.000 0.654 1041 V HN 0.544 nan 8.190 nan 0.000 0.451 1042 K N 0.332 120.869 120.400 0.227 0.000 2.057 1042 K HA -0.111 4.194 4.320 -0.025 0.000 0.207 1042 K C 2.306 178.920 176.600 0.024 0.000 1.049 1042 K CA 1.492 57.845 56.287 0.110 0.000 0.931 1042 K CB -0.415 32.114 32.500 0.048 0.000 0.714 1042 K HN 0.473 nan 8.250 nan 0.000 0.440 1043 A N 1.198 124.023 122.820 0.008 0.000 1.969 1043 A HA -0.108 4.197 4.320 -0.025 0.000 0.218 1043 A C 2.071 179.611 177.584 -0.072 0.000 1.169 1043 A CA 1.165 53.183 52.037 -0.033 0.000 0.635 1043 A CB -0.484 18.498 19.000 -0.030 0.000 0.810 1043 A HN 0.167 nan 8.150 nan 0.000 0.445 1044 I N -1.110 119.410 120.570 -0.082 0.000 2.286 1044 I HA -0.174 3.981 4.170 -0.025 0.000 0.245 1044 I C 2.794 178.672 176.117 -0.399 0.000 1.104 1044 I CA 1.314 62.488 61.300 -0.211 0.000 1.397 1044 I CB -0.265 37.623 38.000 -0.187 0.000 1.072 1044 I HN 0.376 nan 8.210 nan 0.000 0.417 1045 S N 0.290 115.776 115.700 -0.357 0.000 2.359 1045 S HA -0.211 4.244 4.470 -0.025 0.000 0.224 1045 S C 2.084 176.583 174.600 -0.169 0.000 1.035 1045 S CA 2.392 60.414 58.200 -0.297 0.000 1.018 1045 S CB -0.348 62.878 63.200 0.043 0.000 0.876 1045 S HN 0.437 nan 8.310 nan 0.000 0.448 1046 T N 1.790 116.277 114.554 -0.112 0.000 2.821 1046 T HA 0.084 4.419 4.350 -0.025 0.000 0.267 1046 T C 2.053 176.691 174.700 -0.102 0.000 1.046 1046 T CA 1.176 63.224 62.100 -0.086 0.000 1.139 1046 T CB -0.596 68.233 68.868 -0.064 0.000 0.871 1046 T HN 0.516 nan 8.240 nan 0.000 0.454 1047 A N 1.029 123.773 122.820 -0.125 0.000 1.898 1047 A HA -0.019 4.286 4.320 -0.025 0.000 0.216 1047 A C 2.577 180.073 177.584 -0.148 0.000 1.181 1047 A CA 1.169 53.130 52.037 -0.127 0.000 0.620 1047 A CB -1.019 17.908 19.000 -0.122 0.000 0.819 1047 A HN 0.334 nan 8.150 nan 0.000 0.442 1048 V N -0.075 119.732 119.914 -0.178 0.000 2.287 1048 V HA -0.254 3.851 4.120 -0.025 0.000 0.248 1048 V C 2.640 178.688 176.094 -0.077 0.000 1.053 1048 V CA 2.350 64.564 62.300 -0.143 0.000 1.027 1048 V CB -0.769 30.919 31.823 -0.224 0.000 0.646 1048 V HN 0.460 nan 8.190 nan 0.000 0.447 1049 R N 0.901 121.357 120.500 -0.073 0.000 2.241 1049 R HA -0.089 4.236 4.340 -0.025 0.000 0.224 1049 R C 1.550 177.827 176.300 -0.040 0.000 1.101 1049 R CA 0.998 57.078 56.100 -0.032 0.000 0.995 1049 R CB -0.273 30.011 30.300 -0.028 0.000 0.870 1049 R HN 0.738 nan 8.270 nan 0.000 0.463 1050 K N -2.151 118.203 120.400 -0.077 0.000 2.826 1050 K HA 0.400 4.705 4.320 -0.025 0.000 0.206 1050 K C 0.768 177.269 176.600 -0.166 0.000 1.116 1050 K CA 0.281 56.514 56.287 -0.089 0.000 1.045 1050 K CB 0.907 33.364 32.500 -0.072 0.000 0.758 1050 K HN -0.052 nan 8.250 nan 0.000 0.465 1051 A N 1.248 123.923 122.820 -0.242 0.000 1.933 1051 A HA -0.044 4.261 4.320 -0.025 0.000 0.218 1051 A C 2.172 179.313 177.584 -0.739 0.000 1.175 1051 A CA 1.933 53.660 52.037 -0.516 0.000 0.628 1051 A CB -0.934 17.646 19.000 -0.700 0.000 0.814 1051 A HN 0.576 nan 8.150 nan 0.000 0.444 1052 G N -0.160 108.313 108.800 -0.545 0.000 2.408 1052 G HA2 -0.124 3.821 3.960 -0.025 0.000 0.217 1052 G HA3 -0.124 3.821 3.960 -0.025 0.000 0.217 1052 G C 1.345 176.058 174.900 -0.312 0.000 1.150 1052 G CA 1.069 46.001 45.100 -0.278 0.000 0.776 1052 G HN 0.375 nan 8.290 nan 0.000 0.542 1053 I N 1.591 122.025 120.570 -0.226 0.000 2.439 1053 I HA 0.002 4.157 4.170 -0.025 0.000 0.251 1053 I C 2.830 178.827 176.117 -0.200 0.000 1.139 1053 I CA 0.974 62.148 61.300 -0.209 0.000 1.438 1053 I CB -0.929 37.011 38.000 -0.099 0.000 1.085 1053 I HN 0.239 nan 8.210 nan 0.000 0.427 1054 A N -0.811 121.916 122.820 -0.156 0.000 2.307 1054 A HA 0.013 4.318 4.320 -0.025 0.000 0.218 1054 A C 0.601 178.226 177.584 0.070 0.000 1.228 1054 A CA -0.124 51.906 52.037 -0.013 0.000 0.857 1054 A CB -0.842 18.120 19.000 -0.062 0.000 0.897 1054 A HN 0.578 nan 8.150 nan 0.000 0.495 1055 H N -1.456 117.532 119.070 -0.137 0.000 2.770 1055 H HA -0.135 4.405 4.556 -0.025 0.000 0.309 1055 H C 0.183 175.429 175.328 -0.137 0.000 1.206 1055 H CA 0.940 56.923 56.048 -0.107 0.000 1.147 1055 H CB -1.769 27.964 29.762 -0.049 0.000 1.422 1055 H HN 0.504 nan 8.280 nan 0.000 0.420 1056 L N -0.185 120.908 121.223 -0.216 0.000 2.700 1056 L HA 0.167 4.491 4.340 -0.025 0.000 0.234 1056 L C 0.825 177.596 176.870 -0.163 0.000 1.156 1056 L CA 0.116 54.846 54.840 -0.184 0.000 0.946 1056 L CB 0.055 41.981 42.059 -0.222 0.000 1.216 1056 L HN 0.180 nan 8.230 nan 0.000 0.493 1057 Y N 0.106 120.415 120.300 0.015 0.000 2.334 1057 Y HA 0.596 5.131 4.550 -0.024 0.000 0.325 1057 Y C 1.218 177.132 175.900 0.023 0.000 1.308 1057 Y CA -0.189 57.917 58.100 0.012 0.000 1.389 1057 Y CB 1.200 39.660 38.460 0.000 0.000 1.328 1057 Y HN 0.084 nan 8.280 nan 0.000 0.532 1058 G N 0.707 109.629 108.800 0.203 0.000 2.603 1058 G HA2 -0.051 3.894 3.960 -0.025 0.000 0.686 1058 G HA3 -0.051 3.894 3.960 -0.025 0.000 0.686 1058 G C -1.503 173.448 174.900 0.085 0.000 1.286 1058 G CA -0.633 44.536 45.100 0.116 0.000 0.871 1058 G HN 0.750 nan 8.290 nan 0.000 0.568 1059 I N -0.917 119.689 120.570 0.060 0.000 2.797 1059 I HA 0.838 4.992 4.170 -0.025 0.000 0.310 1059 I C 1.180 177.320 176.117 0.038 0.000 0.990 1059 I CA -0.164 61.164 61.300 0.047 0.000 1.228 1059 I CB 0.970 38.992 38.000 0.037 0.000 1.406 1059 I HN 1.616 nan 8.210 nan 0.000 0.534 1060 A N 3.074 125.912 122.820 0.030 0.000 2.132 1060 A HA 0.412 4.717 4.320 -0.025 0.000 0.213 1060 A C 1.378 178.973 177.584 0.017 0.000 1.154 1060 A CA 0.546 52.596 52.037 0.022 0.000 0.753 1060 A CB -0.961 18.050 19.000 0.019 0.000 0.826 1060 A HN 2.015 nan 8.150 nan 0.000 0.469 1061 G N -0.253 108.558 108.800 0.018 0.000 2.643 1061 G HA2 0.219 4.164 3.960 -0.025 0.000 0.280 1061 G HA3 0.219 4.164 3.960 -0.025 0.000 0.280 1061 G C -0.058 174.848 174.900 0.010 0.000 1.120 1061 G CA 0.590 45.699 45.100 0.014 0.000 1.165 1061 G HN 2.089 nan 8.290 nan 0.000 0.540 1062 S N -1.693 114.012 115.700 0.009 0.000 2.688 1062 S HA 0.817 5.272 4.470 -0.025 0.000 0.269 1062 S C -0.710 173.892 174.600 0.003 0.000 1.060 1062 S CA 0.077 58.279 58.200 0.005 0.000 0.844 1062 S CB 1.901 65.103 63.200 0.002 0.000 1.095 1062 S HN 1.251 nan 8.310 nan 0.000 0.466 1063 T N 2.117 116.669 114.554 -0.003 0.000 2.876 1063 T HA 0.599 4.934 4.350 -0.025 0.000 0.289 1063 T C -0.074 174.613 174.700 -0.023 0.000 1.014 1063 T CA -0.668 61.428 62.100 -0.007 0.000 0.986 1063 T CB 1.349 70.215 68.868 -0.004 0.000 1.021 1063 T HN 0.624 nan 8.240 nan 0.000 0.458 1064 N N 0.798 119.478 118.700 -0.033 0.000 2.240 1064 N HA 0.079 4.804 4.740 -0.025 0.000 0.250 1064 N C 1.925 177.385 175.510 -0.084 0.000 1.316 1064 N CA -0.152 52.857 53.050 -0.068 0.000 0.894 1064 N CB 0.047 38.491 38.487 -0.071 0.000 1.101 1064 N HN 0.460 nan 8.380 nan 0.000 0.491 1065 V N -1.504 118.320 119.914 -0.150 0.000 2.232 1065 V HA -0.199 3.906 4.120 -0.025 0.000 0.237 1065 V C 2.132 178.183 176.094 -0.072 0.000 1.035 1065 V CA 2.517 64.733 62.300 -0.140 0.000 0.988 1065 V CB -1.874 29.783 31.823 -0.277 0.000 0.636 1065 V HN 0.849 nan 8.190 nan 0.000 0.456 1066 T N -1.586 112.930 114.554 -0.063 0.000 2.833 1066 T HA 0.299 4.634 4.350 -0.025 0.000 0.269 1066 T C 1.087 175.779 174.700 -0.013 0.000 1.054 1066 T CA 1.100 63.187 62.100 -0.022 0.000 1.135 1066 T CB -0.515 68.349 68.868 -0.008 0.000 0.869 1066 T HN 1.963 nan 8.240 nan 0.000 0.466 1067 G N 0.300 109.090 108.800 -0.017 0.000 1.968 1067 G HA2 0.387 4.332 3.960 -0.025 0.000 0.183 1067 G HA3 0.387 4.332 3.960 -0.025 0.000 0.183 1067 G C -2.049 172.854 174.900 0.005 0.000 1.665 1067 G CA -0.572 44.527 45.100 -0.002 0.000 1.015 1067 G HN 0.345 nan 8.290 nan 0.000 0.624 1068 D N 0.651 121.052 120.400 0.002 0.000 2.878 1068 D HA 0.349 4.974 4.640 -0.025 0.000 0.211 1068 D C -0.435 175.872 176.300 0.011 0.000 1.271 1068 D CA -0.497 53.510 54.000 0.011 0.000 0.845 1068 D CB 2.357 43.162 40.800 0.007 0.000 1.679 1068 D HN 0.343 nan 8.370 nan 0.000 0.536 1069 Q N 1.904 121.717 119.800 0.022 0.000 2.307 1069 Q HA 0.395 4.720 4.340 -0.025 0.000 0.259 1069 Q C -0.783 175.232 176.000 0.025 0.000 0.998 1069 Q CA -0.333 55.484 55.803 0.023 0.000 0.923 1069 Q CB 1.090 29.845 28.738 0.028 0.000 1.196 1069 Q HN 0.231 nan 8.270 nan 0.000 0.416 1070 V N 6.324 126.249 119.914 0.019 0.000 2.439 1070 V HA 0.118 4.223 4.120 -0.025 0.000 0.271 1070 V C 0.191 176.304 176.094 0.031 0.000 1.040 1070 V CA -0.289 62.024 62.300 0.021 0.000 1.002 1070 V CB 0.433 32.262 31.823 0.011 0.000 1.000 1070 V HN 0.662 nan 8.190 nan 0.000 0.477 1071 K N 4.293 124.718 120.400 0.041 0.000 2.107 1071 K HA 0.354 4.659 4.320 -0.025 0.000 0.251 1071 K C 1.100 177.727 176.600 0.045 0.000 1.012 1071 K CA -0.551 55.767 56.287 0.052 0.000 0.920 1071 K CB 0.925 33.467 32.500 0.070 0.000 1.033 1071 K HN 0.408 nan 8.250 nan 0.000 0.478 1072 K N 0.662 121.091 120.400 0.049 0.000 2.044 1072 K HA -0.119 4.186 4.320 -0.025 0.000 0.210 1072 K C 1.973 178.587 176.600 0.023 0.000 1.049 1072 K CA 1.349 57.655 56.287 0.032 0.000 0.927 1072 K CB -0.154 32.363 32.500 0.029 0.000 0.713 1072 K HN 0.306 nan 8.250 nan 0.000 0.443 1073 L N 1.039 122.281 121.223 0.032 0.000 2.362 1073 L HA -0.170 4.155 4.340 -0.025 0.000 0.219 1073 L C 1.698 178.586 176.870 0.031 0.000 1.134 1073 L CA 0.681 55.531 54.840 0.018 0.000 0.807 1073 L CB -0.273 41.801 42.059 0.025 0.000 0.927 1073 L HN 0.196 nan 8.230 nan 0.000 0.447 1074 D N -0.404 120.022 120.400 0.043 0.000 2.117 1074 D HA -0.146 4.479 4.640 -0.025 0.000 0.198 1074 D C 2.298 178.623 176.300 0.041 0.000 0.982 1074 D CA 1.189 55.218 54.000 0.048 0.000 0.828 1074 D CB -0.027 40.798 40.800 0.042 0.000 0.967 1074 D HN 0.117 nan 8.370 nan 0.000 0.464 1075 V N 1.398 121.329 119.914 0.028 0.000 2.295 1075 V HA -0.220 3.885 4.120 -0.025 0.000 0.246 1075 V C 2.516 178.622 176.094 0.019 0.000 1.049 1075 V CA 1.149 63.462 62.300 0.022 0.000 1.024 1075 V CB -0.536 31.296 31.823 0.014 0.000 0.648 1075 V HN 0.126 nan 8.190 nan 0.000 0.447 1076 L N 1.337 122.566 121.223 0.009 0.000 1.989 1076 L HA -0.174 4.151 4.340 -0.025 0.000 0.211 1076 L C 2.745 179.614 176.870 -0.000 0.000 1.071 1076 L CA 2.725 57.563 54.840 -0.004 0.000 0.749 1076 L CB -0.993 41.054 42.059 -0.021 0.000 0.890 1076 L HN 0.513 nan 8.230 nan 0.000 0.431 1077 S N -0.781 114.926 115.700 0.011 0.000 2.368 1077 S HA -0.238 4.216 4.470 -0.025 0.000 0.225 1077 S C 1.977 176.605 174.600 0.047 0.000 1.030 1077 S CA 1.367 59.581 58.200 0.024 0.000 0.999 1077 S CB -1.119 62.112 63.200 0.053 0.000 0.844 1077 S HN 0.622 nan 8.310 nan 0.000 0.459 1078 N N 2.279 121.028 118.700 0.082 0.000 2.069 1078 N HA -0.126 4.599 4.740 -0.025 0.000 0.191 1078 N C 1.270 176.831 175.510 0.086 0.000 1.031 1078 N CA 1.944 55.077 53.050 0.139 0.000 0.852 1078 N CB -0.592 37.965 38.487 0.116 0.000 1.018 1078 N HN 0.391 nan 8.380 nan 0.000 0.423 1079 D N 0.054 120.478 120.400 0.040 0.000 2.097 1079 D HA -0.121 4.504 4.640 -0.025 0.000 0.195 1079 D C 2.085 178.376 176.300 -0.016 0.000 0.989 1079 D CA 0.740 54.749 54.000 0.014 0.000 0.827 1079 D CB -0.379 40.423 40.800 0.003 0.000 0.966 1079 D HN 0.314 nan 8.370 nan 0.000 0.456 1080 L N 0.385 121.591 121.223 -0.029 0.000 2.017 1080 L HA -0.163 4.162 4.340 -0.025 0.000 0.208 1080 L C 2.599 179.406 176.870 -0.106 0.000 1.073 1080 L CA 0.716 55.522 54.840 -0.057 0.000 0.745 1080 L CB -0.375 41.654 42.059 -0.050 0.000 0.894 1080 L HN -0.056 nan 8.230 nan 0.000 0.432 1081 V N -0.087 119.737 119.914 -0.149 0.000 2.307 1081 V HA -0.278 3.827 4.120 -0.025 0.000 0.245 1081 V C 2.290 178.199 176.094 -0.309 0.000 1.045 1081 V CA 1.780 63.880 62.300 -0.333 0.000 1.024 1081 V CB -0.331 31.083 31.823 -0.680 0.000 0.651 1081 V HN 0.299 nan 8.190 nan 0.000 0.449 1082 I N 0.566 121.048 120.570 -0.147 0.000 2.179 1082 I HA -0.233 3.922 4.170 -0.025 0.000 0.242 1082 I C 2.415 178.493 176.117 -0.064 0.000 1.088 1082 I CA 1.551 62.832 61.300 -0.031 0.000 1.357 1082 I CB -0.515 37.535 38.000 0.083 0.000 1.051 1082 I HN 0.347 nan 8.210 nan 0.000 0.409 1083 N N 0.577 119.237 118.700 -0.065 0.000 2.120 1083 N HA -0.147 4.578 4.740 -0.025 0.000 0.188 1083 N C 1.931 177.382 175.510 -0.099 0.000 1.024 1083 N CA 1.865 54.872 53.050 -0.072 0.000 0.852 1083 N CB -0.633 37.820 38.487 -0.056 0.000 1.003 1083 N HN 0.429 nan 8.380 nan 0.000 0.424 1084 V N -1.095 118.750 119.914 -0.115 0.000 2.548 1084 V HA -0.012 4.093 4.120 -0.025 0.000 0.249 1084 V C 2.157 178.168 176.094 -0.138 0.000 1.055 1084 V CA 1.044 63.271 62.300 -0.121 0.000 1.065 1084 V CB -0.811 30.938 31.823 -0.124 0.000 0.681 1084 V HN 0.108 nan 8.190 nan 0.000 0.462 1085 L N -0.298 120.831 121.223 -0.156 0.000 2.056 1085 L HA -0.105 4.219 4.340 -0.025 0.000 0.207 1085 L C 2.915 179.715 176.870 -0.116 0.000 1.078 1085 L CA 2.044 56.801 54.840 -0.138 0.000 0.749 1085 L CB -0.591 41.384 42.059 -0.140 0.000 0.901 1085 L HN 0.284 nan 8.230 nan 0.000 0.433 1086 K N 0.068 120.398 120.400 -0.118 0.000 2.032 1086 K HA -0.181 4.124 4.320 -0.025 0.000 0.209 1086 K C 2.266 178.698 176.600 -0.280 0.000 1.048 1086 K CA 1.895 58.093 56.287 -0.149 0.000 0.927 1086 K CB -0.232 32.197 32.500 -0.118 0.000 0.712 1086 K HN 0.348 nan 8.250 nan 0.000 0.441 1087 S N 0.550 116.091 115.700 -0.265 0.000 2.474 1087 S HA -0.100 4.355 4.470 -0.025 0.000 0.235 1087 S C 1.903 176.279 174.600 -0.375 0.000 0.997 1087 S CA 1.291 59.275 58.200 -0.360 0.000 0.949 1087 S CB -0.257 62.835 63.200 -0.179 0.000 0.766 1087 S HN 0.301 nan 8.310 nan 0.000 0.517 1088 S N 0.563 116.142 115.700 -0.202 0.000 2.481 1088 S HA 0.059 4.514 4.470 -0.025 0.000 0.231 1088 S C 0.743 175.421 174.600 0.130 0.000 0.996 1088 S CA 0.374 58.560 58.200 -0.024 0.000 0.942 1088 S CB -1.206 61.977 63.200 -0.029 0.000 0.768 1088 S HN 0.568 nan 8.310 nan 0.000 0.520 1089 F N -0.447 119.507 119.950 0.007 0.000 3.006 1089 F HA -0.284 4.227 4.527 -0.026 0.000 0.289 1089 F C 1.370 177.193 175.800 0.037 0.000 0.772 1089 F CA 0.367 58.377 58.000 0.017 0.000 1.162 1089 F CB -1.794 37.213 39.000 0.011 0.000 1.382 1089 F HN 0.428 nan 8.300 nan 0.000 0.406 1090 A N -1.043 121.874 122.820 0.161 0.000 2.431 1090 A HA 0.484 4.789 4.320 -0.025 0.000 0.239 1090 A C 1.011 178.720 177.584 0.209 0.000 1.230 1090 A CA 0.865 53.024 52.037 0.203 0.000 0.928 1090 A CB 0.138 19.262 19.000 0.207 0.000 1.006 1090 A HN 0.415 nan 8.150 nan 0.000 0.520 1091 T N -4.503 110.124 114.554 0.123 0.000 2.916 1091 T HA 0.463 4.798 4.350 -0.025 0.000 0.292 1091 T C 0.519 175.263 174.700 0.073 0.000 1.064 1091 T CA -0.009 62.163 62.100 0.119 0.000 1.011 1091 T CB 1.452 70.376 68.868 0.094 0.000 1.152 1091 T HN 0.656 nan 8.240 nan 0.000 0.510 1092 C N -0.059 119.285 119.300 0.073 0.000 3.685 1092 C HA 0.653 5.098 4.460 -0.025 0.000 0.513 1092 C C -0.068 174.951 174.990 0.048 0.000 1.448 1092 C CA -0.330 58.717 59.018 0.047 0.000 2.275 1092 C CB -0.548 27.211 27.740 0.032 0.000 3.373 1092 C HN 0.684 nan 8.230 nan 0.000 0.627 1093 V N 2.402 122.357 119.914 0.070 0.000 2.638 1093 V HA 0.594 4.699 4.120 -0.025 0.000 0.306 1093 V C -0.843 175.310 176.094 0.099 0.000 1.052 1093 V CA -0.208 62.131 62.300 0.065 0.000 0.885 1093 V CB 1.847 33.698 31.823 0.047 0.000 0.999 1093 V HN 0.391 nan 8.190 nan 0.000 0.424 1094 L N 4.489 125.768 121.223 0.093 0.000 2.365 1094 L HA 0.755 5.080 4.340 -0.025 0.000 0.273 1094 L C -0.928 175.968 176.870 0.043 0.000 1.000 1094 L CA -0.892 54.036 54.840 0.146 0.000 0.819 1094 L CB 2.249 44.444 42.059 0.227 0.000 1.284 1094 L HN 0.340 nan 8.230 nan 0.000 0.418 1095 V N 1.677 121.578 119.914 -0.021 0.000 2.444 1095 V HA 0.499 4.604 4.120 -0.025 0.000 0.294 1095 V C -0.270 175.482 176.094 -0.570 0.000 1.022 1095 V CA -0.289 61.910 62.300 -0.168 0.000 0.850 1095 V CB 1.908 33.700 31.823 -0.051 0.000 0.992 1095 V HN 0.817 nan 8.190 nan 0.000 0.426 1096 S N 2.628 117.944 115.700 -0.640 0.000 2.526 1096 S HA 0.360 4.815 4.470 -0.025 0.000 0.293 1096 S C 0.862 175.035 174.600 -0.711 0.000 1.092 1096 S CA -0.412 57.156 58.200 -1.054 0.000 0.980 1096 S CB 1.942 64.591 63.200 -0.918 0.000 1.048 1096 S HN 0.906 nan 8.310 nan 0.000 0.483 1097 E N 1.906 121.475 120.200 -1.051 0.000 2.130 1097 E HA -0.196 4.139 4.350 -0.025 0.000 0.196 1097 E C 0.615 177.041 176.600 -0.291 0.000 0.998 1097 E CA 1.445 57.402 56.400 -0.739 0.000 0.806 1097 E CB 0.028 29.422 29.700 -0.510 0.000 0.738 1097 E HN 0.674 nan 8.360 nan 0.000 0.459 1098 E N 0.722 120.781 120.200 -0.234 0.000 2.481 1098 E HA 0.026 4.361 4.350 -0.025 0.000 0.195 1098 E C -0.341 176.207 176.600 -0.088 0.000 1.047 1098 E CA 0.392 56.720 56.400 -0.120 0.000 0.867 1098 E CB 0.165 29.832 29.700 -0.055 0.000 0.858 1098 E HN 0.296 nan 8.360 nan 0.000 0.513 1099 D N 0.884 121.239 120.400 -0.077 0.000 2.391 1099 D HA 0.040 4.665 4.640 -0.025 0.000 0.245 1099 D C 1.084 177.448 176.300 0.105 0.000 1.069 1099 D CA -0.217 53.779 54.000 -0.006 0.000 0.831 1099 D CB 2.150 42.943 40.800 -0.012 0.000 1.204 1099 D HN -0.078 nan 8.370 nan 0.000 0.503 1100 K N 2.700 123.142 120.400 0.070 0.000 2.063 1100 K HA -0.172 4.133 4.320 -0.025 0.000 0.208 1100 K C -0.074 176.664 176.600 0.230 0.000 1.048 1100 K CA 1.105 57.474 56.287 0.136 0.000 0.928 1100 K CB 0.188 32.716 32.500 0.045 0.000 0.713 1100 K HN 0.276 nan 8.250 nan 0.000 0.442 1101 N N -0.366 118.400 118.700 0.110 0.000 2.404 1101 N HA 0.351 5.076 4.740 -0.025 0.000 0.297 1101 N C -1.348 174.173 175.510 0.018 0.000 1.163 1101 N CA -0.395 52.687 53.050 0.054 0.000 0.864 1101 N CB 1.760 40.265 38.487 0.031 0.000 1.247 1101 N HN 0.329 nan 8.380 nan 0.000 0.510 1102 A N 1.160 123.970 122.820 -0.017 0.000 2.555 1102 A HA 0.140 4.445 4.320 -0.025 0.000 0.233 1102 A C -0.235 177.350 177.584 0.001 0.000 1.060 1102 A CA 0.233 52.256 52.037 -0.022 0.000 0.759 1102 A CB -0.135 18.849 19.000 -0.027 0.000 0.995 1102 A HN 0.512 nan 8.150 nan 0.000 0.506 1103 I N 2.446 123.023 120.570 0.011 0.000 2.336 1103 I HA 0.286 4.441 4.170 -0.025 0.000 0.292 1103 I C 0.003 176.135 176.117 0.027 0.000 0.991 1103 I CA -0.278 61.037 61.300 0.024 0.000 1.227 1103 I CB 0.963 38.989 38.000 0.043 0.000 1.366 1103 I HN 0.443 nan 8.210 nan 0.000 0.466 1104 I N 6.422 127.003 120.570 0.019 0.000 2.336 1104 I HA 0.273 4.428 4.170 -0.025 0.000 0.292 1104 I C 0.223 176.349 176.117 0.015 0.000 0.991 1104 I CA -0.816 60.494 61.300 0.017 0.000 1.227 1104 I CB 1.512 39.518 38.000 0.011 0.000 1.366 1104 I HN 0.150 nan 8.210 nan 0.000 0.466 1105 V N 5.713 125.636 119.914 0.016 0.000 2.843 1105 V HA -0.014 4.091 4.120 -0.025 0.000 0.305 1105 V C 0.683 176.777 176.094 0.001 0.000 1.065 1105 V CA -0.541 61.761 62.300 0.003 0.000 1.116 1105 V CB 0.712 32.535 31.823 -0.000 0.000 0.968 1105 V HN 0.890 nan 8.190 nan 0.000 0.487 1106 E N 5.677 125.871 120.200 -0.009 0.000 2.413 1106 E HA 0.055 4.390 4.350 -0.025 0.000 0.263 1106 E C -2.004 174.603 176.600 0.010 0.000 1.015 1106 E CA -1.164 55.236 56.400 -0.001 0.000 0.916 1106 E CB 0.564 30.259 29.700 -0.008 0.000 0.947 1106 E HN 0.369 nan 8.360 nan 0.000 0.440 1107 P HA -0.250 nan 4.420 nan 0.000 0.216 1107 P C 0.794 178.125 177.300 0.051 0.000 1.157 1107 P CA 1.448 64.565 63.100 0.029 0.000 0.880 1107 P CB 0.110 31.824 31.700 0.025 0.000 0.791 1108 E N -0.209 120.026 120.200 0.058 0.000 2.153 1108 E HA -0.152 4.183 4.350 -0.025 0.000 0.194 1108 E C 1.211 177.919 176.600 0.179 0.000 0.988 1108 E CA 1.086 57.548 56.400 0.104 0.000 0.811 1108 E CB -0.332 29.426 29.700 0.097 0.000 0.746 1108 E HN 0.458 nan 8.360 nan 0.000 0.466 1109 K N 0.786 121.232 120.400 0.078 0.000 2.397 1109 K HA 0.181 4.486 4.320 -0.025 0.000 0.202 1109 K C 0.421 177.045 176.600 0.040 0.000 1.022 1109 K CA -0.175 56.104 56.287 -0.013 0.000 1.141 1109 K CB 0.722 33.032 32.500 -0.317 0.000 0.857 1109 K HN -0.070 nan 8.250 nan 0.000 0.514 1110 R N 0.981 121.532 120.500 0.085 0.000 2.491 1110 R HA 0.191 4.515 4.340 -0.025 0.000 0.283 1110 R C 0.525 176.886 176.300 0.101 0.000 1.072 1110 R CA -0.005 56.135 56.100 0.067 0.000 1.048 1110 R CB 0.987 31.314 30.300 0.047 0.000 0.983 1110 R HN 0.143 nan 8.270 nan 0.000 0.450 1111 G N 0.470 109.320 108.800 0.083 0.000 3.140 1111 G HA2 0.212 4.157 3.960 -0.025 0.000 0.271 1111 G HA3 0.212 4.157 3.960 -0.025 0.000 0.271 1111 G C -0.193 174.712 174.900 0.009 0.000 1.370 1111 G CA -0.688 44.460 45.100 0.079 0.000 1.014 1111 G HN 0.620 nan 8.290 nan 0.000 0.541 1112 K N -1.296 119.046 120.400 -0.096 0.000 2.404 1112 K HA 0.242 4.547 4.320 -0.025 0.000 0.194 1112 K C -0.723 175.700 176.600 -0.295 0.000 1.023 1112 K CA 0.087 56.230 56.287 -0.240 0.000 1.094 1112 K CB 0.022 32.291 32.500 -0.385 0.000 0.841 1112 K HN 0.328 nan 8.250 nan 0.000 0.523 1113 Y N 0.592 120.921 120.300 0.048 0.000 2.457 1113 Y HA 0.379 4.915 4.550 -0.024 0.000 0.333 1113 Y C -0.066 175.880 175.900 0.077 0.000 1.119 1113 Y CA -1.316 56.821 58.100 0.061 0.000 1.143 1113 Y CB 1.826 40.313 38.460 0.045 0.000 1.230 1113 Y HN -0.314 nan 8.280 nan 0.000 0.469 1114 V N 3.531 123.627 119.914 0.302 0.000 2.398 1114 V HA 0.495 4.600 4.120 -0.025 0.000 0.286 1114 V C -0.697 175.568 176.094 0.286 0.000 1.026 1114 V CA -0.819 61.629 62.300 0.246 0.000 0.868 1114 V CB 1.312 33.264 31.823 0.215 0.000 0.982 1114 V HN 0.505 nan 8.190 nan 0.000 0.443 1115 V N 3.741 123.805 119.914 0.250 0.000 2.487 1115 V HA 0.417 4.522 4.120 -0.025 0.000 0.298 1115 V C -0.270 176.025 176.094 0.335 0.000 1.028 1115 V CA -0.502 61.965 62.300 0.278 0.000 0.860 1115 V CB 1.784 33.745 31.823 0.230 0.000 0.991 1115 V HN 0.961 nan 8.190 nan 0.000 0.427 1116 C N 6.221 125.724 119.300 0.338 0.000 2.329 1116 C HA 0.893 5.338 4.460 -0.025 0.000 0.329 1116 C C -0.227 174.979 174.990 0.361 0.000 1.275 1116 C CA -0.780 58.403 59.018 0.275 0.000 1.726 1116 C CB -0.390 27.535 27.740 0.308 0.000 2.291 1116 C HN 0.848 nan 8.230 nan 0.000 0.514 1117 F N 0.308 120.343 119.950 0.142 0.000 2.645 1117 F HA 0.664 5.177 4.527 -0.023 0.000 0.310 1117 F C -1.061 174.725 175.800 -0.022 0.000 1.102 1117 F CA -1.140 56.941 58.000 0.135 0.000 0.952 1117 F CB 1.021 40.095 39.000 0.123 0.000 1.326 1117 F HN 0.337 nan 8.300 nan 0.000 0.456 1118 D N 3.174 123.733 120.400 0.264 0.000 2.427 1118 D HA 0.398 5.023 4.640 -0.025 0.000 0.226 1118 D C -1.840 174.631 176.300 0.284 0.000 1.076 1118 D CA -2.759 51.322 54.000 0.135 0.000 0.849 1118 D CB 1.851 42.782 40.800 0.219 0.000 1.052 1118 D HN 0.270 nan 8.370 nan 0.000 0.515 1119 P HA -0.032 nan 4.420 nan 0.000 0.218 1119 P C 0.157 177.588 177.300 0.219 0.000 1.149 1119 P CA 0.299 63.588 63.100 0.314 0.000 0.817 1119 P CB 0.684 32.557 31.700 0.289 0.000 0.785 1120 L N 0.173 121.501 121.223 0.176 0.000 2.491 1120 L HA 0.474 4.799 4.340 -0.025 0.000 0.267 1120 L C -1.427 175.528 176.870 0.141 0.000 0.971 1120 L CA -0.954 53.990 54.840 0.173 0.000 0.857 1120 L CB 1.766 43.906 42.059 0.135 0.000 1.226 1120 L HN -0.294 nan 8.230 nan 0.000 0.408 1121 D N 3.553 124.036 120.400 0.138 0.000 2.192 1121 D HA 0.694 5.319 4.640 -0.025 0.000 0.246 1121 D C 0.620 176.964 176.300 0.074 0.000 1.042 1121 D CA 0.606 54.662 54.000 0.093 0.000 0.847 1121 D CB 1.563 42.401 40.800 0.063 0.000 1.186 1121 D HN 0.898 nan 8.370 nan 0.000 0.461 1122 G N 2.322 111.159 108.800 0.062 0.000 2.237 1122 G HA2 -0.246 3.699 3.960 -0.025 0.000 0.153 1122 G HA3 -0.246 3.699 3.960 -0.025 0.000 0.153 1122 G C 0.989 175.926 174.900 0.062 0.000 1.039 1122 G CA 0.295 45.425 45.100 0.049 0.000 0.719 1122 G HN 0.517 nan 8.290 nan 0.000 0.491 1123 S N 0.190 115.932 115.700 0.070 0.000 2.387 1123 S HA -0.189 4.266 4.470 -0.025 0.000 0.230 1123 S C 2.773 177.409 174.600 0.059 0.000 1.035 1123 S CA 2.749 60.990 58.200 0.069 0.000 1.014 1123 S CB -0.197 63.043 63.200 0.067 0.000 0.836 1123 S HN 1.753 nan 8.310 nan 0.000 0.466 1124 S N 0.597 116.333 115.700 0.061 0.000 2.481 1124 S HA 0.106 4.561 4.470 -0.025 0.000 0.231 1124 S C 1.388 176.007 174.600 0.031 0.000 0.996 1124 S CA 0.660 58.892 58.200 0.053 0.000 0.942 1124 S CB -0.343 62.902 63.200 0.076 0.000 0.768 1124 S HN 0.507 nan 8.310 nan 0.000 0.520 1125 N N 0.859 119.576 118.700 0.029 0.000 2.280 1125 N HA 0.288 5.012 4.740 -0.025 0.000 0.192 1125 N C 1.027 176.541 175.510 0.006 0.000 1.109 1125 N CA -0.031 53.026 53.050 0.012 0.000 0.855 1125 N CB 0.026 38.520 38.487 0.012 0.000 0.974 1125 N HN 0.337 nan 8.380 nan 0.000 0.482 1126 I N 1.206 121.788 120.570 0.019 0.000 2.113 1126 I HA -0.203 3.952 4.170 -0.025 0.000 0.238 1126 I C 1.260 177.314 176.117 -0.105 0.000 1.070 1126 I CA 1.444 62.768 61.300 0.039 0.000 1.332 1126 I CB -0.757 37.306 38.000 0.104 0.000 1.044 1126 I HN -0.010 nan 8.210 nan 0.000 0.402 1127 D N 0.213 120.493 120.400 -0.200 0.000 2.312 1127 D HA -0.093 4.532 4.640 -0.025 0.000 0.211 1127 D C 1.822 177.897 176.300 -0.375 0.000 0.964 1127 D CA 0.792 54.514 54.000 -0.463 0.000 0.877 1127 D CB -0.126 40.515 40.800 -0.264 0.000 0.924 1127 D HN 0.513 nan 8.370 nan 0.000 0.515 1128 C N -0.878 118.307 119.300 -0.191 0.000 2.780 1128 C HA 0.445 4.890 4.460 -0.025 0.000 0.287 1128 C C 1.005 175.941 174.990 -0.090 0.000 1.288 1128 C CA -0.683 58.258 59.018 -0.129 0.000 1.713 1128 C CB -1.236 26.463 27.740 -0.069 0.000 1.955 1128 C HN 0.159 nan 8.230 nan 0.000 0.613 1129 L N -0.313 120.852 121.223 -0.097 0.000 4.232 1129 L HA -0.154 4.171 4.340 -0.025 0.000 0.415 1129 L C 0.488 177.364 176.870 0.010 0.000 1.168 1129 L CA 0.599 55.428 54.840 -0.017 0.000 0.966 1129 L CB -2.258 39.797 42.059 -0.007 0.000 2.052 1129 L HN 0.464 nan 8.230 nan 0.000 0.887 1130 V N -0.627 119.287 119.914 0.002 0.000 2.953 1130 V HA 0.302 4.407 4.120 -0.025 0.000 0.304 1130 V C 1.342 177.454 176.094 0.029 0.000 1.073 1130 V CA -0.182 62.124 62.300 0.011 0.000 1.064 1130 V CB 1.651 33.473 31.823 -0.002 0.000 1.047 1130 V HN 0.333 nan 8.190 nan 0.000 0.478 1131 S N 3.767 119.481 115.700 0.024 0.000 2.642 1131 S HA 0.152 4.607 4.470 -0.025 0.000 0.308 1131 S C -0.103 174.522 174.600 0.042 0.000 1.255 1131 S CA 0.269 58.490 58.200 0.034 0.000 1.057 1131 S CB -0.443 62.754 63.200 -0.006 0.000 0.785 1131 S HN 0.543 nan 8.310 nan 0.000 0.500 1132 I N -0.504 120.129 120.570 0.104 0.000 3.457 1132 I HA 1.063 5.218 4.170 -0.025 0.000 0.307 1132 I C 0.347 176.549 176.117 0.141 0.000 1.138 1132 I CA -1.182 60.195 61.300 0.128 0.000 0.974 1132 I CB 1.917 40.026 38.000 0.183 0.000 1.324 1132 I HN 0.647 nan 8.210 nan 0.000 0.485 1133 G N -0.224 108.666 108.800 0.149 0.000 2.554 1133 G HA2 0.620 4.565 3.960 -0.025 0.000 0.306 1133 G HA3 0.620 4.565 3.960 -0.025 0.000 0.306 1133 G C -1.756 173.214 174.900 0.117 0.000 1.320 1133 G CA -0.515 44.556 45.100 -0.049 0.000 0.800 1133 G HN 0.664 nan 8.290 nan 0.000 0.481 1134 T N 0.421 115.000 114.554 0.042 0.000 2.921 1134 T HA 0.638 4.973 4.350 -0.025 0.000 0.297 1134 T C -0.657 174.170 174.700 0.212 0.000 1.013 1134 T CA -0.137 62.075 62.100 0.188 0.000 0.990 1134 T CB 1.264 70.276 68.868 0.239 0.000 1.023 1134 T HN 0.479 nan 8.240 nan 0.000 0.447 1135 I N 3.938 124.656 120.570 0.246 0.000 2.569 1135 I HA 0.743 4.898 4.170 -0.025 0.000 0.296 1135 I C -0.954 175.351 176.117 0.314 0.000 1.028 1135 I CA -1.176 60.242 61.300 0.197 0.000 1.082 1135 I CB 1.689 39.761 38.000 0.120 0.000 1.264 1135 I HN 0.657 nan 8.210 nan 0.000 0.429 1136 F N 2.356 122.392 119.950 0.143 0.000 2.631 1136 F HA 0.947 5.458 4.527 -0.026 0.000 0.308 1136 F C -0.450 175.381 175.800 0.051 0.000 1.097 1136 F CA -0.890 57.190 58.000 0.135 0.000 0.952 1136 F CB 1.623 40.660 39.000 0.060 0.000 1.307 1136 F HN 0.450 nan 8.300 nan 0.000 0.450 1137 G N 2.659 111.573 108.800 0.190 0.000 2.638 1137 G HA2 0.682 4.627 3.960 -0.025 0.000 0.302 1137 G HA3 0.682 4.627 3.960 -0.025 0.000 0.302 1137 G C -1.929 172.942 174.900 -0.048 0.000 1.365 1137 G CA -0.931 44.133 45.100 -0.061 0.000 0.987 1137 G HN 0.722 nan 8.290 nan 0.000 0.495 1138 I N 1.383 121.809 120.570 -0.239 0.000 2.465 1138 I HA 0.390 4.545 4.170 -0.025 0.000 0.291 1138 I C -1.130 174.799 176.117 -0.314 0.000 1.014 1138 I CA -0.725 60.485 61.300 -0.148 0.000 1.093 1138 I CB 2.020 39.947 38.000 -0.121 0.000 1.267 1138 I HN 0.406 nan 8.210 nan 0.000 0.431 1139 Y N 4.038 124.407 120.300 0.116 0.000 2.468 1139 Y HA 0.478 5.013 4.550 -0.025 0.000 0.342 1139 Y C 0.497 176.538 175.900 0.235 0.000 1.021 1139 Y CA -0.787 57.389 58.100 0.126 0.000 1.079 1139 Y CB 1.566 40.069 38.460 0.071 0.000 1.226 1139 Y HN 0.420 nan 8.280 nan 0.000 0.460 1140 R N 2.269 122.968 120.500 0.331 0.000 2.340 1140 R HA 0.179 4.504 4.340 -0.025 0.000 0.300 1140 R C -0.282 176.068 176.300 0.084 0.000 1.069 1140 R CA -0.654 55.522 56.100 0.127 0.000 0.984 1140 R CB 0.607 30.934 30.300 0.044 0.000 1.003 1140 R HN 0.658 nan 8.270 nan 0.000 0.459 1141 K N 3.339 123.743 120.400 0.006 0.000 2.416 1141 K HA -0.033 4.271 4.320 -0.025 0.000 0.283 1141 K C 0.008 176.600 176.600 -0.013 0.000 1.037 1141 K CA -0.142 56.146 56.287 0.002 0.000 0.995 1141 K CB 0.614 33.106 32.500 -0.013 0.000 0.938 1141 K HN 0.541 nan 8.250 nan 0.000 0.475 1142 N N 1.281 119.978 118.700 -0.005 0.000 2.333 1142 N HA -0.089 4.636 4.740 -0.025 0.000 0.183 1142 N C 0.153 175.656 175.510 -0.012 0.000 1.030 1142 N CA 0.658 53.705 53.050 -0.006 0.000 0.867 1142 N CB -0.525 37.962 38.487 -0.000 0.000 1.027 1142 N HN 0.755 nan 8.380 nan 0.000 0.435 1143 S N 0.182 115.874 115.700 -0.015 0.000 2.540 1143 S HA -0.061 4.394 4.470 -0.025 0.000 0.272 1143 S C 1.314 175.906 174.600 -0.014 0.000 1.357 1143 S CA 0.931 59.123 58.200 -0.014 0.000 1.011 1143 S CB 0.457 63.647 63.200 -0.017 0.000 0.852 1143 S HN 0.505 nan 8.310 nan 0.000 0.535 1144 T N -2.857 111.690 114.554 -0.012 0.000 2.975 1144 T HA 0.197 4.532 4.350 -0.025 0.000 0.257 1144 T C 0.059 174.754 174.700 -0.009 0.000 1.003 1144 T CA 0.229 62.322 62.100 -0.011 0.000 0.932 1144 T CB -0.514 68.348 68.868 -0.009 0.000 1.087 1144 T HN 0.770 nan 8.240 nan 0.000 0.512 1145 D N 1.675 122.070 120.400 -0.009 0.000 2.393 1145 D HA 0.205 4.830 4.640 -0.025 0.000 0.246 1145 D C 0.194 176.490 176.300 -0.006 0.000 1.275 1145 D CA -0.557 53.439 54.000 -0.007 0.000 0.979 1145 D CB 0.234 41.029 40.800 -0.008 0.000 1.101 1145 D HN 0.009 nan 8.370 nan 0.000 0.505 1146 E N 0.617 120.814 120.200 -0.004 0.000 2.442 1146 E HA 0.101 4.436 4.350 -0.025 0.000 0.262 1146 E C -1.842 174.756 176.600 -0.003 0.000 1.004 1146 E CA -1.194 55.205 56.400 -0.002 0.000 0.928 1146 E CB -0.229 29.471 29.700 -0.001 0.000 0.937 1146 E HN 0.380 nan 8.360 nan 0.000 0.446 1147 P HA -0.027 nan 4.420 nan 0.000 0.268 1147 P C -0.472 176.827 177.300 -0.001 0.000 1.204 1147 P CA 0.168 63.268 63.100 0.000 0.000 0.768 1147 P CB 0.735 32.440 31.700 0.007 0.000 0.842 1148 S N 0.141 115.837 115.700 -0.006 0.000 2.688 1148 S HA 0.212 4.667 4.470 -0.025 0.000 0.275 1148 S C 0.997 175.588 174.600 -0.016 0.000 1.175 1148 S CA -0.712 57.483 58.200 -0.009 0.000 0.818 1148 S CB 1.379 64.572 63.200 -0.012 0.000 1.157 1148 S HN 0.397 nan 8.310 nan 0.000 0.482 1149 E N 0.810 120.998 120.200 -0.020 0.000 2.160 1149 E HA -0.172 4.163 4.350 -0.025 0.000 0.195 1149 E C 1.420 177.992 176.600 -0.046 0.000 0.991 1149 E CA 1.531 57.911 56.400 -0.033 0.000 0.810 1149 E CB -0.231 29.448 29.700 -0.035 0.000 0.742 1149 E HN 0.628 nan 8.360 nan 0.000 0.466 1150 K N 0.366 120.741 120.400 -0.042 0.000 2.280 1150 K HA -0.133 4.172 4.320 -0.025 0.000 0.202 1150 K C 1.402 177.961 176.600 -0.068 0.000 1.047 1150 K CA 1.091 57.346 56.287 -0.053 0.000 0.942 1150 K CB 0.034 32.509 32.500 -0.041 0.000 0.739 1150 K HN 0.161 nan 8.250 nan 0.000 0.457 1151 D N 1.257 121.624 120.400 -0.055 0.000 2.264 1151 D HA -0.079 4.546 4.640 -0.025 0.000 0.208 1151 D C 1.654 177.889 176.300 -0.108 0.000 0.966 1151 D CA 0.881 54.844 54.000 -0.062 0.000 0.864 1151 D CB 0.162 40.948 40.800 -0.025 0.000 0.933 1151 D HN 0.292 nan 8.370 nan 0.000 0.499 1152 A N 0.218 122.977 122.820 -0.102 0.000 2.178 1152 A HA 0.079 4.383 4.320 -0.025 0.000 0.211 1152 A C 1.549 179.002 177.584 -0.218 0.000 1.157 1152 A CA -0.019 51.936 52.037 -0.137 0.000 0.780 1152 A CB -0.130 18.835 19.000 -0.058 0.000 0.828 1152 A HN 0.144 nan 8.150 nan 0.000 0.476 1153 L N 1.393 122.509 121.223 -0.178 0.000 2.727 1153 L HA 0.145 4.470 4.340 -0.025 0.000 0.237 1153 L C -0.150 176.601 176.870 -0.198 0.000 1.370 1153 L CA -0.147 54.595 54.840 -0.164 0.000 1.248 1153 L CB -0.451 41.544 42.059 -0.106 0.000 1.556 1153 L HN 0.451 nan 8.230 nan 0.000 0.420 1154 Q N 1.512 121.108 119.800 -0.340 0.000 2.257 1154 Q HA 0.460 4.785 4.340 -0.025 0.000 0.262 1154 Q C -2.285 173.583 176.000 -0.220 0.000 0.997 1154 Q CA -2.110 53.498 55.803 -0.326 0.000 0.873 1154 Q CB 1.607 30.026 28.738 -0.532 0.000 1.312 1154 Q HN 0.060 nan 8.270 nan 0.000 0.450 1155 P HA -0.044 nan 4.420 nan 0.000 0.271 1155 P C 0.411 177.803 177.300 0.154 0.000 1.218 1155 P CA 0.149 63.264 63.100 0.024 0.000 0.780 1155 P CB 0.727 32.447 31.700 0.034 0.000 0.901 1156 G N 3.779 112.688 108.800 0.181 0.000 2.503 1156 G HA2 -0.315 3.630 3.960 -0.025 0.000 0.221 1156 G HA3 -0.315 3.630 3.960 -0.025 0.000 0.221 1156 G C 1.432 176.467 174.900 0.225 0.000 1.131 1156 G CA 0.627 45.867 45.100 0.232 0.000 0.756 1156 G HN 0.693 nan 8.290 nan 0.000 0.572 1157 R N -0.060 120.553 120.500 0.187 0.000 2.241 1157 R HA 0.031 4.356 4.340 -0.025 0.000 0.224 1157 R C 1.363 177.781 176.300 0.196 0.000 1.101 1157 R CA 1.271 57.482 56.100 0.185 0.000 0.995 1157 R CB -0.383 29.991 30.300 0.124 0.000 0.870 1157 R HN 0.166 nan 8.270 nan 0.000 0.463 1158 N N 0.779 119.624 118.700 0.243 0.000 2.398 1158 N HA 0.119 4.844 4.740 -0.025 0.000 0.188 1158 N C 0.044 175.694 175.510 0.233 0.000 1.122 1158 N CA 0.176 53.386 53.050 0.266 0.000 0.866 1158 N CB 0.096 38.752 38.487 0.282 0.000 0.970 1158 N HN 0.168 nan 8.380 nan 0.000 0.462 1159 L N 0.321 121.529 121.223 -0.026 0.000 2.514 1159 L HA -0.025 4.300 4.340 -0.025 0.000 0.280 1159 L C 1.340 178.004 176.870 -0.344 0.000 1.223 1159 L CA -0.103 54.394 54.840 -0.573 0.000 0.864 1159 L CB 0.879 42.323 42.059 -1.025 0.000 1.118 1159 L HN -0.070 nan 8.230 nan 0.000 0.494 1160 V N 2.243 121.976 119.914 -0.303 0.000 3.431 1160 V HA 0.313 4.418 4.120 -0.025 0.000 0.253 1160 V C 0.528 176.548 176.094 -0.123 0.000 1.184 1160 V CA 0.905 63.153 62.300 -0.088 0.000 1.104 1160 V CB 0.444 32.300 31.823 0.055 0.000 0.799 1160 V HN 0.849 nan 8.190 nan 0.000 0.462 1161 A N -0.615 122.019 122.820 -0.310 0.000 2.594 1161 A HA 0.913 5.218 4.320 -0.025 0.000 0.296 1161 A C -1.003 176.406 177.584 -0.291 0.000 1.061 1161 A CA 0.196 52.123 52.037 -0.184 0.000 0.689 1161 A CB 1.497 20.464 19.000 -0.055 0.000 1.280 1161 A HN 0.807 nan 8.150 nan 0.000 0.406 1162 A N -0.190 122.525 122.820 -0.175 0.000 2.601 1162 A HA 1.068 5.373 4.320 -0.025 0.000 0.291 1162 A C -0.004 177.298 177.584 -0.471 0.000 1.075 1162 A CA 0.222 52.053 52.037 -0.344 0.000 0.671 1162 A CB 0.803 19.584 19.000 -0.365 0.000 1.277 1162 A HN 2.848 nan 8.150 nan 0.000 0.417 1163 G N -1.280 106.879 108.800 -1.068 0.000 2.360 1163 G HA2 0.674 4.619 3.960 -0.025 0.000 0.276 1163 G HA3 0.674 4.619 3.960 -0.025 0.000 0.276 1163 G C -1.476 172.902 174.900 -0.870 0.000 1.256 1163 G CA 0.568 45.176 45.100 -0.820 0.000 0.890 1163 G HN 2.350 nan 8.290 nan 0.000 0.486 1164 Y N -2.383 117.681 120.300 -0.394 0.000 2.641 1164 Y HA 0.837 5.370 4.550 -0.027 0.000 0.333 1164 Y C -0.303 175.569 175.900 -0.047 0.000 1.174 1164 Y CA -1.281 56.723 58.100 -0.161 0.000 1.057 1164 Y CB 1.053 39.412 38.460 -0.169 0.000 1.322 1164 Y HN 1.476 nan 8.280 nan 0.000 0.457 1165 A N 2.274 125.156 122.820 0.105 0.000 2.304 1165 A HA 0.722 5.027 4.320 -0.025 0.000 0.323 1165 A C -1.769 175.617 177.584 -0.330 0.000 1.195 1165 A CA -0.677 51.277 52.037 -0.138 0.000 0.826 1165 A CB 1.150 20.023 19.000 -0.211 0.000 1.184 1165 A HN 0.874 nan 8.150 nan 0.000 0.496 1166 L N 3.029 124.067 121.223 -0.308 0.000 2.298 1166 L HA 0.567 4.892 4.340 -0.025 0.000 0.284 1166 L C -1.529 175.141 176.870 -0.332 0.000 1.013 1166 L CA -0.293 54.356 54.840 -0.319 0.000 0.824 1166 L CB 0.669 42.615 42.059 -0.189 0.000 1.221 1166 L HN 0.584 nan 8.230 nan 0.000 0.418 1167 Y N 5.169 125.494 120.300 0.041 0.000 2.724 1167 Y HA 0.594 5.129 4.550 -0.026 0.000 0.332 1167 Y C 0.999 176.908 175.900 0.014 0.000 1.276 1167 Y CA -0.300 57.821 58.100 0.035 0.000 1.597 1167 Y CB -0.063 38.425 38.460 0.045 0.000 1.584 1167 Y HN 0.676 nan 8.280 nan 0.000 0.478 1168 G N 0.333 109.182 108.800 0.082 0.000 3.019 1168 G HA2 0.189 4.134 3.960 -0.025 0.000 0.152 1168 G HA3 0.189 4.134 3.960 -0.025 0.000 0.152 1168 G C 1.059 175.989 174.900 0.050 0.000 1.320 1168 G CA -0.039 45.086 45.100 0.042 0.000 1.013 1168 G HN 0.387 nan 8.290 nan 0.000 0.593 1169 S N -0.800 114.919 115.700 0.031 0.000 2.399 1169 S HA 0.305 4.760 4.470 -0.025 0.000 0.231 1169 S C 1.037 175.656 174.600 0.033 0.000 1.022 1169 S CA 1.314 59.533 58.200 0.032 0.000 0.983 1169 S CB -0.325 62.892 63.200 0.028 0.000 0.803 1169 S HN 1.287 nan 8.310 nan 0.000 0.480 1170 A N 0.182 123.020 122.820 0.030 0.000 2.435 1170 A HA 0.717 5.022 4.320 -0.025 0.000 0.296 1170 A C -0.448 177.164 177.584 0.047 0.000 1.147 1170 A CA -0.715 51.342 52.037 0.033 0.000 0.775 1170 A CB 1.170 20.184 19.000 0.022 0.000 1.340 1170 A HN 0.195 nan 8.150 nan 0.000 0.427 1171 T N 1.361 115.957 114.554 0.070 0.000 2.767 1171 T HA 0.550 4.885 4.350 -0.025 0.000 0.288 1171 T C -0.456 174.314 174.700 0.117 0.000 0.963 1171 T CA 0.190 62.364 62.100 0.123 0.000 1.019 1171 T CB 0.503 69.501 68.868 0.216 0.000 0.923 1171 T HN 0.583 nan 8.240 nan 0.000 0.468 1172 M N 4.379 124.015 119.600 0.059 0.000 2.395 1172 M HA 0.559 5.024 4.480 -0.025 0.000 0.307 1172 M C -1.823 174.495 176.300 0.030 0.000 1.091 1172 M CA -1.033 54.299 55.300 0.053 0.000 0.919 1172 M CB 1.601 34.137 32.600 -0.107 0.000 1.662 1172 M HN 0.357 nan 8.290 nan 0.000 0.440 1173 L N 5.906 127.171 121.223 0.070 0.000 2.280 1173 L HA 0.635 4.960 4.340 -0.025 0.000 0.287 1173 L C -1.595 175.216 176.870 -0.097 0.000 1.023 1173 L CA -0.540 54.228 54.840 -0.121 0.000 0.819 1173 L CB 1.373 43.168 42.059 -0.439 0.000 1.212 1173 L HN 0.592 nan 8.230 nan 0.000 0.420 1174 V N 6.456 126.154 119.914 -0.360 0.000 2.370 1174 V HA 0.423 4.528 4.120 -0.025 0.000 0.283 1174 V C -0.278 175.624 176.094 -0.321 0.000 1.023 1174 V CA -0.662 61.375 62.300 -0.439 0.000 0.857 1174 V CB 1.952 33.220 31.823 -0.924 0.000 0.985 1174 V HN 0.590 nan 8.190 nan 0.000 0.443 1175 L N 5.294 126.466 121.223 -0.085 0.000 2.376 1175 L HA 0.918 5.243 4.340 -0.025 0.000 0.275 1175 L C -0.097 176.793 176.870 0.034 0.000 0.987 1175 L CA -0.286 54.564 54.840 0.017 0.000 0.828 1175 L CB 1.545 43.673 42.059 0.116 0.000 1.249 1175 L HN 0.705 nan 8.230 nan 0.000 0.409 1176 A N 6.330 129.186 122.820 0.059 0.000 2.318 1176 A HA 0.918 5.222 4.320 -0.025 0.000 0.324 1176 A C -0.627 177.123 177.584 0.276 0.000 1.170 1176 A CA -0.540 51.577 52.037 0.133 0.000 0.810 1176 A CB 0.988 20.064 19.000 0.126 0.000 1.198 1176 A HN 0.818 nan 8.150 nan 0.000 0.484 1177 M N 1.340 121.075 119.600 0.225 0.000 2.907 1177 M HA 0.291 4.756 4.480 -0.025 0.000 0.282 1177 M C 1.160 177.578 176.300 0.197 0.000 1.259 1177 M CA -0.650 54.801 55.300 0.252 0.000 0.753 1177 M CB 1.492 34.197 32.600 0.176 0.000 1.744 1177 M HN 0.477 nan 8.290 nan 0.000 0.434 1178 V N 1.009 121.030 119.914 0.179 0.000 2.332 1178 V HA -0.264 3.841 4.120 -0.025 0.000 0.248 1178 V C 1.169 177.297 176.094 0.056 0.000 1.055 1178 V CA 2.684 65.058 62.300 0.123 0.000 1.038 1178 V CB -0.576 31.314 31.823 0.111 0.000 0.651 1178 V HN 0.840 nan 8.190 nan 0.000 0.450 1179 N N -0.395 118.345 118.700 0.066 0.000 2.412 1179 N HA 0.385 5.110 4.740 -0.025 0.000 0.184 1179 N C 0.439 175.970 175.510 0.036 0.000 1.101 1179 N CA 0.505 53.582 53.050 0.046 0.000 0.881 1179 N CB 0.535 39.055 38.487 0.055 0.000 0.969 1179 N HN 0.675 nan 8.380 nan 0.000 0.459 1180 G N -0.498 108.324 108.800 0.037 0.000 2.343 1180 G HA2 0.185 4.130 3.960 -0.025 0.000 0.289 1180 G HA3 0.185 4.130 3.960 -0.025 0.000 0.289 1180 G C -1.965 172.950 174.900 0.026 0.000 1.295 1180 G CA -0.846 44.263 45.100 0.015 0.000 0.869 1180 G HN -0.105 nan 8.290 nan 0.000 0.522 1181 V N 1.561 121.471 119.914 -0.007 0.000 2.459 1181 V HA 0.677 4.782 4.120 -0.025 0.000 0.295 1181 V C -0.529 175.516 176.094 -0.082 0.000 1.029 1181 V CA -0.969 61.310 62.300 -0.035 0.000 0.874 1181 V CB 1.651 33.441 31.823 -0.055 0.000 0.985 1181 V HN 0.671 nan 8.190 nan 0.000 0.438 1182 N N 1.961 120.576 118.700 -0.141 0.000 2.235 1182 N HA 0.496 5.220 4.740 -0.025 0.000 0.293 1182 N C -1.486 173.747 175.510 -0.462 0.000 1.083 1182 N CA -0.368 52.459 53.050 -0.372 0.000 0.801 1182 N CB 2.279 40.382 38.487 -0.639 0.000 1.559 1182 N HN 0.558 nan 8.380 nan 0.000 0.472 1183 C N 1.866 120.815 119.300 -0.585 0.000 2.322 1183 C HA 0.612 5.057 4.460 -0.025 0.000 0.324 1183 C C -0.538 174.061 174.990 -0.653 0.000 1.284 1183 C CA -0.710 58.057 59.018 -0.418 0.000 1.606 1183 C CB -1.257 26.381 27.740 -0.170 0.000 2.251 1183 C HN 0.537 nan 8.230 nan 0.000 0.502 1184 F N 2.885 122.785 119.950 -0.085 0.000 2.467 1184 F HA 0.547 5.057 4.527 -0.029 0.000 0.336 1184 F C 0.232 176.109 175.800 0.129 0.000 1.123 1184 F CA -0.700 57.305 58.000 0.009 0.000 0.964 1184 F CB 1.135 40.146 39.000 0.018 0.000 1.136 1184 F HN 0.453 nan 8.300 nan 0.000 0.447 1185 M N 4.513 124.254 119.600 0.234 0.000 2.209 1185 M HA 0.446 4.911 4.480 -0.025 0.000 0.355 1185 M C -0.952 175.412 176.300 0.108 0.000 1.171 1185 M CA -1.192 54.209 55.300 0.167 0.000 1.069 1185 M CB 1.053 33.692 32.600 0.065 0.000 1.622 1185 M HN 0.634 nan 8.290 nan 0.000 0.459 1186 L N 5.461 126.668 121.223 -0.027 0.000 2.500 1186 L HA 0.114 4.439 4.340 -0.025 0.000 0.272 1186 L C -0.440 176.302 176.870 -0.214 0.000 1.149 1186 L CA 0.716 55.297 54.840 -0.432 0.000 0.897 1186 L CB 0.098 41.832 42.059 -0.542 0.000 1.178 1186 L HN 0.595 nan 8.230 nan 0.000 0.473 1187 D N 7.553 127.835 120.400 -0.197 0.000 2.365 1187 D HA 0.193 4.818 4.640 -0.025 0.000 0.237 1187 D C -1.866 174.358 176.300 -0.125 0.000 1.190 1187 D CA -1.850 52.083 54.000 -0.112 0.000 0.867 1187 D CB 1.642 42.400 40.800 -0.070 0.000 1.050 1187 D HN 0.405 nan 8.370 nan 0.000 0.491 1188 P HA -0.017 nan 4.420 nan 0.000 0.226 1188 P C 0.849 178.110 177.300 -0.065 0.000 1.153 1188 P CA 0.550 63.599 63.100 -0.085 0.000 0.777 1188 P CB 0.302 31.968 31.700 -0.056 0.000 0.794 1189 A N 0.293 123.081 122.820 -0.054 0.000 1.897 1189 A HA -0.065 4.240 4.320 -0.025 0.000 0.215 1189 A C 1.927 179.486 177.584 -0.042 0.000 1.181 1189 A CA 1.475 53.488 52.037 -0.040 0.000 0.620 1189 A CB -1.149 17.834 19.000 -0.029 0.000 0.821 1189 A HN 0.352 nan 8.150 nan 0.000 0.443 1190 I N -5.292 115.247 120.570 -0.051 0.000 4.154 1190 I HA 0.512 4.667 4.170 -0.025 0.000 0.334 1190 I C 1.002 177.081 176.117 -0.063 0.000 1.371 1190 I CA 0.326 61.599 61.300 -0.046 0.000 1.110 1190 I CB 0.143 38.124 38.000 -0.032 0.000 1.085 1190 I HN 0.311 nan 8.210 nan 0.000 0.398 1191 G N 2.054 110.794 108.800 -0.100 0.000 2.333 1191 G HA2 -0.201 3.743 3.960 -0.025 0.000 0.296 1191 G HA3 -0.201 3.743 3.960 -0.025 0.000 0.296 1191 G C -0.390 174.425 174.900 -0.141 0.000 1.059 1191 G CA 0.174 45.194 45.100 -0.133 0.000 1.050 1191 G HN 0.571 nan 8.290 nan 0.000 0.508 1192 E N -0.995 119.095 120.200 -0.183 0.000 2.314 1192 E HA 0.494 4.828 4.350 -0.025 0.000 0.272 1192 E C -0.596 175.881 176.600 -0.206 0.000 0.884 1192 E CA -0.873 55.455 56.400 -0.119 0.000 0.753 1192 E CB 1.293 30.978 29.700 -0.024 0.000 1.213 1192 E HN 0.112 nan 8.360 nan 0.000 0.432 1193 F N 2.099 122.050 119.950 0.002 0.000 2.421 1193 F HA 0.353 4.878 4.527 -0.003 0.000 0.358 1193 F C 0.687 176.554 175.800 0.112 0.000 1.115 1193 F CA -0.272 57.753 58.000 0.040 0.000 1.160 1193 F CB 0.464 39.450 39.000 -0.023 0.000 1.123 1193 F HN 0.180 nan 8.300 nan 0.000 0.508 1194 I N 4.532 125.276 120.570 0.289 0.000 2.412 1194 I HA 0.221 4.376 4.170 -0.025 0.000 0.296 1194 I C -0.533 175.750 176.117 0.276 0.000 0.987 1194 I CA -1.218 60.234 61.300 0.253 0.000 1.180 1194 I CB 1.703 39.774 38.000 0.118 0.000 1.340 1194 I HN 0.338 nan 8.210 nan 0.000 0.455 1195 L N 7.673 129.044 121.223 0.248 0.000 2.534 1195 L HA 0.065 4.390 4.340 -0.025 0.000 0.271 1195 L C 0.709 177.500 176.870 -0.131 0.000 1.178 1195 L CA 0.637 55.396 54.840 -0.136 0.000 0.907 1195 L CB 0.892 42.898 42.059 -0.087 0.000 1.164 1195 L HN 0.591 nan 8.230 nan 0.000 0.482 1196 V N -0.250 119.535 119.914 -0.214 0.000 3.562 1196 V HA 0.496 4.601 4.120 -0.025 0.000 0.270 1196 V C -0.134 175.883 176.094 -0.128 0.000 1.418 1196 V CA 0.047 62.282 62.300 -0.110 0.000 1.033 1196 V CB 0.400 32.192 31.823 -0.052 0.000 0.820 1196 V HN 0.717 nan 8.190 nan 0.000 0.441 1197 D N 1.588 121.857 120.400 -0.218 0.000 2.788 1197 D HA 0.430 5.055 4.640 -0.025 0.000 0.247 1197 D C -1.046 175.117 176.300 -0.228 0.000 1.236 1197 D CA -0.149 53.750 54.000 -0.168 0.000 0.898 1197 D CB 2.800 43.526 40.800 -0.122 0.000 1.401 1197 D HN 0.251 nan 8.370 nan 0.000 0.549 1198 R N 1.581 122.000 120.500 -0.135 0.000 2.407 1198 R HA 0.186 4.511 4.340 -0.025 0.000 0.303 1198 R C -0.533 175.739 176.300 -0.048 0.000 0.981 1198 R CA -0.246 55.797 56.100 -0.095 0.000 0.905 1198 R CB 0.701 30.999 30.300 -0.003 0.000 1.099 1198 R HN 0.270 nan 8.270 nan 0.000 0.459 1199 D N 2.297 122.681 120.400 -0.027 0.000 2.737 1199 D HA -0.141 4.484 4.640 -0.025 0.000 0.238 1199 D C -0.880 175.404 176.300 -0.027 0.000 1.157 1199 D CA 0.567 54.566 54.000 -0.002 0.000 0.694 1199 D CB -0.503 40.311 40.800 0.023 0.000 1.021 1199 D HN 0.194 nan 8.370 nan 0.000 0.420 1200 V N 2.055 121.938 119.914 -0.052 0.000 2.585 1200 V HA 0.102 4.207 4.120 -0.025 0.000 0.296 1200 V C 0.944 177.015 176.094 -0.037 0.000 1.035 1200 V CA 0.367 62.637 62.300 -0.050 0.000 1.084 1200 V CB 1.258 33.040 31.823 -0.068 0.000 0.953 1200 V HN 0.087 nan 8.190 nan 0.000 0.483 1201 K N 4.132 124.515 120.400 -0.028 0.000 2.397 1201 K HA 0.517 4.822 4.320 -0.025 0.000 0.253 1201 K C -0.682 175.908 176.600 -0.017 0.000 0.932 1201 K CA -1.016 55.258 56.287 -0.022 0.000 0.795 1201 K CB 2.672 35.163 32.500 -0.014 0.000 1.159 1201 K HN 0.465 nan 8.250 nan 0.000 0.424 1202 I N 2.061 122.623 120.570 -0.014 0.000 2.638 1202 I HA 0.059 4.214 4.170 -0.025 0.000 0.286 1202 I C 0.218 176.339 176.117 0.007 0.000 1.088 1202 I CA -0.217 61.081 61.300 -0.003 0.000 1.397 1202 I CB 0.394 38.395 38.000 0.002 0.000 1.414 1202 I HN 0.401 nan 8.210 nan 0.000 0.566 1203 K N 5.750 126.158 120.400 0.015 0.000 2.440 1203 K HA 0.011 4.316 4.320 -0.025 0.000 0.270 1203 K C 1.043 177.658 176.600 0.025 0.000 0.980 1203 K CA -0.196 56.101 56.287 0.017 0.000 0.953 1203 K CB 0.436 32.946 32.500 0.016 0.000 0.925 1203 K HN 0.393 nan 8.250 nan 0.000 0.497 1204 K N 1.726 122.140 120.400 0.024 0.000 2.148 1204 K HA -0.067 4.238 4.320 -0.025 0.000 0.204 1204 K C 0.332 176.962 176.600 0.051 0.000 1.050 1204 K CA 1.299 57.605 56.287 0.033 0.000 0.942 1204 K CB 0.091 32.608 32.500 0.027 0.000 0.724 1204 K HN 0.417 nan 8.250 nan 0.000 0.446 1205 K N -0.409 120.020 120.400 0.049 0.000 2.501 1205 K HA 0.386 4.691 4.320 -0.025 0.000 0.252 1205 K C -0.591 176.029 176.600 0.033 0.000 0.934 1205 K CA -0.458 55.873 56.287 0.073 0.000 0.797 1205 K CB 2.023 34.574 32.500 0.085 0.000 1.270 1205 K HN 0.074 nan 8.250 nan 0.000 0.431 1206 G N -0.175 108.643 108.800 0.031 0.000 3.075 1206 G HA2 0.410 4.355 3.960 -0.025 0.000 0.253 1206 G HA3 0.410 4.355 3.960 -0.025 0.000 0.253 1206 G C -0.334 174.348 174.900 -0.363 0.000 1.353 1206 G CA -0.503 44.555 45.100 -0.070 0.000 1.051 1206 G HN 0.574 nan 8.290 nan 0.000 0.553 1207 S N -1.410 114.004 115.700 -0.478 0.000 3.073 1207 S HA 0.411 4.866 4.470 -0.025 0.000 0.252 1207 S C -0.534 173.748 174.600 -0.531 0.000 0.953 1207 S CA -0.257 57.362 58.200 -0.968 0.000 1.105 1207 S CB -0.160 62.732 63.200 -0.514 0.000 1.070 1207 S HN 0.294 nan 8.310 nan 0.000 0.574 1208 I N 2.665 123.137 120.570 -0.164 0.000 2.533 1208 I HA 0.558 4.713 4.170 -0.025 0.000 0.290 1208 I C -0.780 175.558 176.117 0.368 0.000 1.056 1208 I CA -1.096 60.277 61.300 0.121 0.000 1.057 1208 I CB 1.612 39.669 38.000 0.095 0.000 1.240 1208 I HN 0.399 nan 8.210 nan 0.000 0.423 1209 Y N 2.936 123.414 120.300 0.298 0.000 2.429 1209 Y HA 0.858 5.394 4.550 -0.024 0.000 0.342 1209 Y C -0.356 175.672 175.900 0.214 0.000 1.004 1209 Y CA -1.303 56.962 58.100 0.275 0.000 1.075 1209 Y CB 1.899 40.498 38.460 0.231 0.000 1.214 1209 Y HN 0.479 nan 8.280 nan 0.000 0.455 1210 S N 5.916 121.747 115.700 0.219 0.000 2.774 1210 S HA 0.743 5.198 4.470 -0.025 0.000 0.297 1210 S C -1.412 173.290 174.600 0.170 0.000 1.143 1210 S CA -0.516 57.821 58.200 0.227 0.000 1.090 1210 S CB -0.013 63.441 63.200 0.423 0.000 1.019 1210 S HN 0.851 nan 8.310 nan 0.000 0.482 1211 I N 3.751 124.317 120.570 -0.007 0.000 2.882 1211 I HA 0.412 4.567 4.170 -0.025 0.000 0.298 1211 I C -1.480 174.132 176.117 -0.842 0.000 1.462 1211 I CA -0.696 60.387 61.300 -0.361 0.000 1.000 1211 I CB 1.844 39.754 38.000 -0.150 0.000 1.340 1211 I HN 0.556 nan 8.210 nan 0.000 0.462 1212 N N 4.740 122.822 118.700 -1.030 0.000 2.448 1212 N HA 0.143 4.868 4.740 -0.025 0.000 0.250 1212 N C 0.215 175.659 175.510 -0.110 0.000 1.136 1212 N CA 0.237 52.863 53.050 -0.706 0.000 0.953 1212 N CB 0.515 38.768 38.487 -0.390 0.000 1.251 1212 N HN 0.574 nan 8.380 nan 0.000 0.502 1213 E N 1.397 121.556 120.200 -0.069 0.000 2.516 1213 E HA -0.028 4.307 4.350 -0.025 0.000 0.199 1213 E C 1.422 177.940 176.600 -0.137 0.000 1.069 1213 E CA 0.065 56.502 56.400 0.061 0.000 0.876 1213 E CB 0.151 29.918 29.700 0.111 0.000 0.843 1213 E HN 0.692 nan 8.360 nan 0.000 0.530 1214 G N 0.438 109.093 108.800 -0.243 0.000 2.501 1214 G HA2 -0.236 3.709 3.960 -0.025 0.000 0.220 1214 G HA3 -0.236 3.709 3.960 -0.025 0.000 0.220 1214 G C 0.797 175.365 174.900 -0.553 0.000 1.114 1214 G CA 0.482 45.351 45.100 -0.385 0.000 0.757 1214 G HN 0.284 nan 8.290 nan 0.000 0.559 1215 Y N 0.333 120.362 120.300 -0.451 0.000 2.493 1215 Y HA 0.482 5.016 4.550 -0.026 0.000 0.275 1215 Y C 2.444 177.578 175.900 -1.276 0.000 1.183 1215 Y CA -0.574 57.110 58.100 -0.694 0.000 1.258 1215 Y CB 0.004 38.111 38.460 -0.589 0.000 1.108 1215 Y HN 0.202 nan 8.280 nan 0.000 0.521 1216 A N 0.771 123.050 122.820 -0.903 0.000 1.940 1216 A HA -0.335 3.970 4.320 -0.025 0.000 0.221 1216 A C 2.316 179.677 177.584 -0.371 0.000 1.190 1216 A CA 2.227 53.875 52.037 -0.648 0.000 0.647 1216 A CB -0.473 18.410 19.000 -0.194 0.000 0.821 1216 A HN 0.462 nan 8.150 nan 0.000 0.457 1217 K N -0.926 119.314 120.400 -0.266 0.000 2.209 1217 K HA -0.151 4.154 4.320 -0.025 0.000 0.204 1217 K C 1.153 177.692 176.600 -0.101 0.000 1.048 1217 K CA 1.505 57.711 56.287 -0.135 0.000 0.940 1217 K CB 0.005 32.444 32.500 -0.102 0.000 0.729 1217 K HN 0.452 nan 8.250 nan 0.000 0.451 1218 E N -0.318 119.791 120.200 -0.151 0.000 2.460 1218 E HA 0.035 4.370 4.350 -0.025 0.000 0.200 1218 E C -0.118 176.523 176.600 0.068 0.000 1.011 1218 E CA -0.044 56.334 56.400 -0.036 0.000 0.912 1218 E CB 0.169 29.869 29.700 -0.000 0.000 0.953 1218 E HN 0.075 nan 8.360 nan 0.000 0.494 1219 F N 3.159 123.115 119.950 0.009 0.000 2.553 1219 F HA 0.001 4.512 4.527 -0.026 0.000 0.356 1219 F C 1.203 176.980 175.800 -0.039 0.000 1.142 1219 F CA -1.298 56.690 58.000 -0.021 0.000 1.322 1219 F CB -0.001 38.979 39.000 -0.035 0.000 1.126 1219 F HN -0.077 nan 8.300 nan 0.000 0.599 1220 D N 2.798 123.284 120.400 0.144 0.000 2.360 1220 D HA 0.174 4.798 4.640 -0.025 0.000 0.242 1220 D C -2.218 174.020 176.300 -0.103 0.000 1.184 1220 D CA -1.591 52.417 54.000 0.014 0.000 0.930 1220 D CB 0.088 40.897 40.800 0.015 0.000 1.161 1220 D HN 0.136 nan 8.370 nan 0.000 0.447 1221 P HA -0.084 nan 4.420 nan 0.000 0.220 1221 P C 0.989 177.950 177.300 -0.565 0.000 1.148 1221 P CA 1.837 64.768 63.100 -0.282 0.000 0.803 1221 P CB -0.010 31.548 31.700 -0.237 0.000 0.782 1222 A N -0.706 121.658 122.820 -0.760 0.000 1.872 1222 A HA -0.112 4.193 4.320 -0.025 0.000 0.214 1222 A C 2.122 179.366 177.584 -0.567 0.000 1.187 1222 A CA 1.145 52.653 52.037 -0.881 0.000 0.614 1222 A CB -1.493 16.707 19.000 -1.334 0.000 0.826 1222 A HN 0.082 nan 8.150 nan 0.000 0.442 1223 I N -0.039 120.220 120.570 -0.518 0.000 2.208 1223 I HA -0.251 3.904 4.170 -0.025 0.000 0.245 1223 I C 2.604 178.576 176.117 -0.242 0.000 1.097 1223 I CA 1.861 62.934 61.300 -0.379 0.000 1.363 1223 I CB -0.549 37.135 38.000 -0.526 0.000 1.051 1223 I HN 0.245 nan 8.210 nan 0.000 0.413 1224 T N -0.319 114.136 114.554 -0.166 0.000 2.684 1224 T HA -0.274 4.061 4.350 -0.025 0.000 0.267 1224 T C 1.852 176.504 174.700 -0.079 0.000 1.036 1224 T CA 1.788 63.860 62.100 -0.047 0.000 1.148 1224 T CB -0.294 68.573 68.868 -0.002 0.000 0.863 1224 T HN 0.450 nan 8.240 nan 0.000 0.436 1225 E N -0.417 119.712 120.200 -0.119 0.000 2.077 1225 E HA -0.178 4.157 4.350 -0.025 0.000 0.193 1225 E C 2.027 178.580 176.600 -0.078 0.000 0.989 1225 E CA 0.956 57.309 56.400 -0.079 0.000 0.800 1225 E CB -0.203 29.466 29.700 -0.050 0.000 0.746 1225 E HN 0.612 nan 8.360 nan 0.000 0.452 1226 Y N 0.735 120.902 120.300 -0.222 0.000 2.145 1226 Y HA -0.220 4.314 4.550 -0.026 0.000 0.286 1226 Y C 1.879 177.607 175.900 -0.287 0.000 1.145 1226 Y CA 1.524 59.482 58.100 -0.237 0.000 1.148 1226 Y CB -0.207 38.102 38.460 -0.251 0.000 0.981 1226 Y HN 0.068 nan 8.280 nan 0.000 0.507 1227 I N 0.609 121.007 120.570 -0.288 0.000 2.226 1227 I HA -0.300 3.855 4.170 -0.025 0.000 0.245 1227 I C 2.503 178.400 176.117 -0.367 0.000 1.100 1227 I CA 1.696 62.727 61.300 -0.449 0.000 1.374 1227 I CB -1.342 36.529 38.000 -0.215 0.000 1.057 1227 I HN 0.267 nan 8.210 nan 0.000 0.413 1228 Q N 0.669 120.364 119.800 -0.176 0.000 2.135 1228 Q HA -0.217 4.108 4.340 -0.025 0.000 0.204 1228 Q C 2.437 178.399 176.000 -0.063 0.000 0.981 1228 Q CA 1.715 57.493 55.803 -0.042 0.000 0.856 1228 Q CB -0.247 28.472 28.738 -0.032 0.000 0.902 1228 Q HN 0.366 nan 8.270 nan 0.000 0.425 1229 R N -0.622 119.746 120.500 -0.219 0.000 2.115 1229 R HA -0.087 4.238 4.340 -0.025 0.000 0.230 1229 R C 1.634 177.701 176.300 -0.389 0.000 1.111 1229 R CA 1.132 57.080 56.100 -0.253 0.000 0.976 1229 R CB 0.119 30.240 30.300 -0.298 0.000 0.870 1229 R HN 0.074 nan 8.270 nan 0.000 0.445 1230 K N 0.672 120.689 120.400 -0.637 0.000 2.097 1230 K HA -0.126 4.179 4.320 -0.025 0.000 0.205 1230 K C 1.817 178.199 176.600 -0.362 0.000 1.050 1230 K CA 1.420 57.287 56.287 -0.701 0.000 0.938 1230 K CB -0.002 31.865 32.500 -1.056 0.000 0.718 1230 K HN 0.246 nan 8.250 nan 0.000 0.442 1231 K N -0.721 119.499 120.400 -0.300 0.000 2.211 1231 K HA 0.068 4.373 4.320 -0.025 0.000 0.201 1231 K C 0.196 176.488 176.600 -0.513 0.000 1.052 1231 K CA 0.523 56.622 56.287 -0.313 0.000 0.973 1231 K CB 0.218 32.573 32.500 -0.241 0.000 0.766 1231 K HN -0.044 nan 8.250 nan 0.000 0.466 1232 F N 1.691 121.569 119.950 -0.120 0.000 2.449 1232 F HA 0.298 4.810 4.527 -0.025 0.000 0.344 1232 F C -2.503 173.240 175.800 -0.095 0.000 1.180 1232 F CA -2.841 55.109 58.000 -0.083 0.000 1.209 1232 F CB 0.848 39.806 39.000 -0.070 0.000 1.440 1232 F HN -0.259 nan 8.300 nan 0.000 0.526 1233 P HA 0.068 nan 4.420 nan 0.000 0.267 1233 P C -1.738 175.573 177.300 0.018 0.000 1.205 1233 P CA -1.042 62.046 63.100 -0.021 0.000 0.765 1233 P CB 0.531 32.217 31.700 -0.025 0.000 0.828 1234 P HA -0.134 nan 4.420 nan 0.000 0.221 1234 P C 0.468 177.775 177.300 0.012 0.000 1.150 1234 P CA 1.414 64.520 63.100 0.010 0.000 0.800 1234 P CB 0.000 31.698 31.700 -0.003 0.000 0.787 1235 D N -1.070 119.336 120.400 0.010 0.000 2.336 1235 D HA -0.013 4.612 4.640 -0.025 0.000 0.228 1235 D C 0.129 176.439 176.300 0.016 0.000 1.120 1235 D CA -0.577 53.431 54.000 0.013 0.000 0.839 1235 D CB -1.510 39.299 40.800 0.014 0.000 0.932 1235 D HN 0.175 nan 8.370 nan 0.000 0.509 1236 N N -0.567 118.145 118.700 0.018 0.000 2.863 1236 N HA -0.222 4.503 4.740 -0.025 0.000 0.245 1236 N C -0.324 175.196 175.510 0.017 0.000 1.001 1236 N CA 0.682 53.743 53.050 0.018 0.000 0.901 1236 N CB -1.278 37.218 38.487 0.016 0.000 1.124 1236 N HN 0.450 nan 8.380 nan 0.000 0.582 1237 S N 0.065 115.778 115.700 0.022 0.000 2.596 1237 S HA 0.544 4.999 4.470 -0.025 0.000 0.260 1237 S C 0.741 175.359 174.600 0.030 0.000 1.336 1237 S CA -0.363 57.856 58.200 0.031 0.000 0.993 1237 S CB 1.330 64.561 63.200 0.053 0.000 0.923 1237 S HN 0.401 nan 8.310 nan 0.000 0.567 1238 A N 1.825 124.666 122.820 0.036 0.000 2.477 1238 A HA 0.505 4.809 4.320 -0.025 0.000 0.246 1238 A C -2.146 175.478 177.584 0.068 0.000 1.078 1238 A CA -1.243 50.812 52.037 0.030 0.000 0.770 1238 A CB -1.096 17.915 19.000 0.019 0.000 1.011 1238 A HN 0.698 nan 8.150 nan 0.000 0.494 1239 P HA 0.075 nan 4.420 nan 0.000 0.267 1239 P C -0.585 176.840 177.300 0.208 0.000 1.200 1239 P CA 0.245 63.377 63.100 0.055 0.000 0.772 1239 P CB 0.126 31.793 31.700 -0.056 0.000 0.855 1240 Y N 0.719 121.028 120.300 0.014 0.000 2.480 1240 Y HA 0.301 4.837 4.550 -0.025 0.000 0.338 1240 Y C 1.701 177.683 175.900 0.137 0.000 1.220 1240 Y CA -0.064 58.096 58.100 0.101 0.000 1.430 1240 Y CB -0.381 38.199 38.460 0.200 0.000 1.311 1240 Y HN 0.377 nan 8.280 nan 0.000 0.575 1241 G N 0.652 109.561 108.800 0.181 0.000 2.539 1241 G HA2 0.507 4.452 3.960 -0.025 0.000 0.258 1241 G HA3 0.507 4.452 3.960 -0.025 0.000 0.258 1241 G C -0.971 173.933 174.900 0.007 0.000 1.202 1241 G CA -0.292 44.861 45.100 0.090 0.000 0.851 1241 G HN 0.814 nan 8.290 nan 0.000 0.556 1242 A N 1.747 124.479 122.820 -0.147 0.000 2.317 1242 A HA 0.854 5.159 4.320 -0.025 0.000 0.327 1242 A C 0.081 177.557 177.584 -0.180 0.000 1.178 1242 A CA -0.713 51.053 52.037 -0.451 0.000 0.817 1242 A CB 1.040 19.747 19.000 -0.487 0.000 1.189 1242 A HN 0.557 nan 8.150 nan 0.000 0.489 1243 R N 0.888 121.309 120.500 -0.132 0.000 2.564 1243 R HA 0.365 4.689 4.340 -0.025 0.000 0.284 1243 R C -2.298 174.089 176.300 0.144 0.000 1.031 1243 R CA -0.416 55.696 56.100 0.021 0.000 0.904 1243 R CB 1.757 32.088 30.300 0.051 0.000 1.199 1243 R HN 0.785 nan 8.270 nan 0.000 0.443 1244 Y N 2.335 122.641 120.300 0.009 0.000 2.422 1244 Y HA 0.134 4.670 4.550 -0.023 0.000 0.344 1244 Y C 0.620 176.563 175.900 0.072 0.000 1.097 1244 Y CA -0.390 57.752 58.100 0.070 0.000 1.307 1244 Y CB 0.812 39.310 38.460 0.064 0.000 1.102 1244 Y HN 0.366 nan 8.280 nan 0.000 0.520 1245 V N 3.201 123.048 119.914 -0.112 0.000 2.407 1245 V HA -0.115 3.990 4.120 -0.025 0.000 0.248 1245 V C 1.857 177.830 176.094 -0.201 0.000 1.055 1245 V CA 2.499 64.728 62.300 -0.118 0.000 1.049 1245 V CB -0.917 30.842 31.823 -0.107 0.000 0.662 1245 V HN 1.188 nan 8.190 nan 0.000 0.455 1246 G N -0.759 107.737 108.800 -0.506 0.000 2.176 1246 G HA2 -0.219 3.726 3.960 -0.025 0.000 0.232 1246 G HA3 -0.219 3.726 3.960 -0.025 0.000 0.232 1246 G C 0.292 175.093 174.900 -0.167 0.000 0.986 1246 G CA 0.190 45.062 45.100 -0.380 0.000 0.643 1246 G HN 0.522 nan 8.290 nan 0.000 0.522 1247 S N 0.348 115.945 115.700 -0.170 0.000 2.498 1247 S HA 0.564 5.019 4.470 -0.025 0.000 0.317 1247 S C 1.117 175.611 174.600 -0.177 0.000 1.090 1247 S CA 0.100 58.237 58.200 -0.106 0.000 1.089 1247 S CB 1.458 64.610 63.200 -0.079 0.000 0.997 1247 S HN 0.393 nan 8.310 nan 0.000 0.470 1248 M N 4.189 123.701 119.600 -0.147 0.000 2.108 1248 M HA -0.083 4.382 4.480 -0.025 0.000 0.261 1248 M C 1.850 177.885 176.300 -0.441 0.000 1.066 1248 M CA 1.946 57.060 55.300 -0.311 0.000 1.107 1248 M CB -0.219 32.282 32.600 -0.164 0.000 1.356 1248 M HN 0.567 nan 8.290 nan 0.000 0.406 1249 V N 0.618 120.331 119.914 -0.335 0.000 2.407 1249 V HA -0.204 3.901 4.120 -0.025 0.000 0.248 1249 V C 2.310 178.160 176.094 -0.406 0.000 1.055 1249 V CA 2.107 64.125 62.300 -0.470 0.000 1.049 1249 V CB -0.750 30.863 31.823 -0.350 0.000 0.662 1249 V HN 0.607 nan 8.190 nan 0.000 0.455 1250 A N -0.665 121.997 122.820 -0.265 0.000 1.897 1250 A HA -0.167 4.138 4.320 -0.025 0.000 0.215 1250 A C 2.021 179.487 177.584 -0.196 0.000 1.181 1250 A CA 1.689 53.617 52.037 -0.181 0.000 0.620 1250 A CB -0.642 18.282 19.000 -0.126 0.000 0.821 1250 A HN 0.618 nan 8.150 nan 0.000 0.443 1251 D N -0.212 120.024 120.400 -0.275 0.000 2.117 1251 D HA -0.083 4.542 4.640 -0.025 0.000 0.198 1251 D C 2.092 178.202 176.300 -0.317 0.000 0.982 1251 D CA 1.388 55.243 54.000 -0.241 0.000 0.828 1251 D CB -0.205 40.479 40.800 -0.193 0.000 0.967 1251 D HN 0.217 nan 8.370 nan 0.000 0.464 1252 V N 0.738 120.336 119.914 -0.527 0.000 2.358 1252 V HA -0.234 3.871 4.120 -0.025 0.000 0.246 1252 V C 2.333 178.282 176.094 -0.243 0.000 1.047 1252 V CA 1.587 63.636 62.300 -0.417 0.000 1.035 1252 V CB -0.565 30.950 31.823 -0.514 0.000 0.658 1252 V HN 0.206 nan 8.190 nan 0.000 0.452 1253 H N 0.533 119.403 119.070 -0.333 0.000 2.352 1253 H HA -0.171 4.371 4.556 -0.022 0.000 0.299 1253 H C 2.467 177.696 175.328 -0.164 0.000 1.097 1253 H CA 2.245 58.203 56.048 -0.150 0.000 1.311 1253 H CB -0.082 29.623 29.762 -0.094 0.000 1.377 1253 H HN 0.229 nan 8.280 nan 0.000 0.504 1254 R N -0.533 119.826 120.500 -0.235 0.000 2.092 1254 R HA -0.113 4.212 4.340 -0.025 0.000 0.231 1254 R C 1.796 177.939 176.300 -0.262 0.000 1.119 1254 R CA 1.780 57.651 56.100 -0.382 0.000 0.970 1254 R CB -0.249 29.882 30.300 -0.282 0.000 0.864 1254 R HN 0.365 nan 8.270 nan 0.000 0.440 1255 T N 1.966 116.442 114.554 -0.129 0.000 2.720 1255 T HA -0.174 4.161 4.350 -0.025 0.000 0.268 1255 T C 1.698 176.368 174.700 -0.049 0.000 1.037 1255 T CA 1.353 63.438 62.100 -0.024 0.000 1.144 1255 T CB -0.247 68.639 68.868 0.030 0.000 0.864 1255 T HN 0.181 nan 8.240 nan 0.000 0.444 1256 L N 2.088 123.236 121.223 -0.125 0.000 1.994 1256 L HA -0.061 4.264 4.340 -0.025 0.000 0.208 1256 L C 2.517 179.302 176.870 -0.140 0.000 1.071 1256 L CA 1.764 56.530 54.840 -0.124 0.000 0.745 1256 L CB -0.662 41.311 42.059 -0.143 0.000 0.892 1256 L HN 0.283 nan 8.230 nan 0.000 0.431 1257 V N -4.288 115.469 119.914 -0.261 0.000 3.052 1257 V HA -0.076 4.029 4.120 -0.025 0.000 0.254 1257 V C 1.885 178.050 176.094 0.119 0.000 1.100 1257 V CA 1.060 63.275 62.300 -0.142 0.000 1.112 1257 V CB -1.016 30.646 31.823 -0.269 0.000 0.738 1257 V HN 0.542 nan 8.190 nan 0.000 0.469 1258 Y N 1.424 121.673 120.300 -0.084 0.000 2.462 1258 Y HA 0.558 5.093 4.550 -0.025 0.000 0.253 1258 Y C 1.598 177.473 175.900 -0.042 0.000 1.095 1258 Y CA -0.114 57.953 58.100 -0.053 0.000 1.283 1258 Y CB 0.870 39.304 38.460 -0.042 0.000 1.138 1258 Y HN 0.532 nan 8.280 nan 0.000 0.522 1259 G N 0.509 109.380 108.800 0.119 0.000 2.756 1259 G HA2 0.204 4.149 3.960 -0.025 0.000 0.678 1259 G HA3 0.204 4.149 3.960 -0.025 0.000 0.678 1259 G C -0.036 174.922 174.900 0.097 0.000 1.349 1259 G CA -0.580 44.566 45.100 0.078 0.000 0.847 1259 G HN 0.961 nan 8.290 nan 0.000 0.548 1260 G N -1.159 107.706 108.800 0.108 0.000 2.337 1260 G HA2 0.448 4.393 3.960 -0.025 0.000 0.197 1260 G HA3 0.448 4.393 3.960 -0.025 0.000 0.197 1260 G C -0.901 174.130 174.900 0.220 0.000 1.238 1260 G CA 0.310 45.512 45.100 0.170 0.000 1.119 1260 G HN 2.262 nan 8.290 nan 0.000 0.514 1261 I N 0.006 120.749 120.570 0.288 0.000 2.686 1261 I HA 0.804 4.959 4.170 -0.025 0.000 0.295 1261 I C -1.634 174.675 176.117 0.320 0.000 1.114 1261 I CA -1.409 60.056 61.300 0.276 0.000 1.038 1261 I CB 1.651 39.818 38.000 0.278 0.000 1.238 1261 I HN 0.763 nan 8.210 nan 0.000 0.420 1262 F N 8.188 128.220 119.950 0.136 0.000 2.482 1262 F HA 0.715 5.228 4.527 -0.023 0.000 0.331 1262 F C -1.202 174.676 175.800 0.129 0.000 1.115 1262 F CA -0.669 57.417 58.000 0.144 0.000 0.955 1262 F CB 1.486 40.550 39.000 0.107 0.000 1.136 1262 F HN 0.373 nan 8.300 nan 0.000 0.452 1263 M N 6.814 126.007 119.600 -0.678 0.000 2.263 1263 M HA 0.280 4.745 4.480 -0.025 0.000 0.295 1263 M C -1.917 174.006 176.300 -0.629 0.000 1.028 1263 M CA -0.619 54.381 55.300 -0.499 0.000 0.921 1263 M CB 2.237 34.674 32.600 -0.272 0.000 1.601 1263 M HN 0.622 nan 8.290 nan 0.000 0.440 1264 Y N 4.880 124.941 120.300 -0.399 0.000 2.662 1264 Y HA 0.422 4.956 4.550 -0.026 0.000 0.358 1264 Y C -2.565 173.265 175.900 -0.116 0.000 1.041 1264 Y CA -2.044 55.941 58.100 -0.193 0.000 1.184 1264 Y CB 0.859 39.295 38.460 -0.040 0.000 1.114 1264 Y HN 0.334 nan 8.280 nan 0.000 0.650 1265 P HA 0.351 nan 4.420 nan 0.000 0.279 1265 P C -0.392 176.962 177.300 0.090 0.000 1.276 1265 P CA -0.377 62.735 63.100 0.021 0.000 0.801 1265 P CB 1.276 32.931 31.700 -0.075 0.000 1.127 1266 A N 1.597 124.453 122.820 0.061 0.000 2.466 1266 A HA 0.349 4.654 4.320 -0.025 0.000 0.238 1266 A C 0.505 178.147 177.584 0.096 0.000 1.074 1266 A CA 0.334 52.410 52.037 0.065 0.000 0.774 1266 A CB -0.923 18.100 19.000 0.039 0.000 1.015 1266 A HN 0.842 nan 8.150 nan 0.000 0.498 1267 N N -0.775 117.977 118.700 0.087 0.000 2.972 1267 N HA 0.275 5.000 4.740 -0.025 0.000 0.262 1267 N C -0.020 175.535 175.510 0.074 0.000 1.478 1267 N CA -0.735 52.384 53.050 0.114 0.000 0.841 1267 N CB 0.612 39.175 38.487 0.126 0.000 1.512 1267 N HN 0.356 nan 8.380 nan 0.000 0.548 1268 K N -0.189 120.253 120.400 0.069 0.000 2.280 1268 K HA -0.016 4.289 4.320 -0.025 0.000 0.202 1268 K C 0.443 177.067 176.600 0.039 0.000 1.047 1268 K CA 1.050 57.367 56.287 0.049 0.000 0.942 1268 K CB -0.066 32.458 32.500 0.041 0.000 0.739 1268 K HN 0.519 nan 8.250 nan 0.000 0.457 1269 K N 0.118 120.542 120.400 0.040 0.000 2.354 1269 K HA 0.102 4.407 4.320 -0.025 0.000 0.194 1269 K C 0.101 176.719 176.600 0.030 0.000 1.038 1269 K CA 0.199 56.508 56.287 0.036 0.000 1.052 1269 K CB 0.904 33.433 32.500 0.048 0.000 0.861 1269 K HN -0.135 nan 8.250 nan 0.000 0.535 1270 S N 1.832 117.549 115.700 0.029 0.000 2.524 1270 S HA 0.223 4.678 4.470 -0.025 0.000 0.227 1270 S C -2.354 172.260 174.600 0.025 0.000 1.304 1270 S CA -0.953 57.260 58.200 0.022 0.000 1.185 1270 S CB 1.796 65.007 63.200 0.018 0.000 1.104 1270 S HN -0.097 nan 8.310 nan 0.000 0.475 1271 P HA -0.063 nan 4.420 nan 0.000 0.216 1271 P C 0.727 178.031 177.300 0.007 0.000 1.150 1271 P CA 1.130 64.240 63.100 0.016 0.000 0.837 1271 P CB 0.208 31.915 31.700 0.011 0.000 0.786 1272 K N -1.083 119.317 120.400 -0.000 0.000 2.440 1272 K HA 0.324 4.629 4.320 -0.025 0.000 0.206 1272 K C 0.840 177.431 176.600 -0.014 0.000 1.025 1272 K CA 0.231 56.511 56.287 -0.013 0.000 1.135 1272 K CB 0.283 32.771 32.500 -0.020 0.000 0.856 1272 K HN 0.130 nan 8.250 nan 0.000 0.502 1273 G N 1.917 110.722 108.800 0.009 0.000 2.642 1273 G HA2 -0.332 3.613 3.960 -0.025 0.000 0.231 1273 G HA3 -0.332 3.613 3.960 -0.025 0.000 0.231 1273 G C 0.124 174.986 174.900 -0.064 0.000 1.338 1273 G CA 0.205 45.319 45.100 0.023 0.000 0.883 1273 G HN 0.261 nan 8.290 nan 0.000 0.570 1274 K N -1.142 119.111 120.400 -0.244 0.000 2.380 1274 K HA 0.339 4.644 4.320 -0.025 0.000 0.200 1274 K C 1.297 177.720 176.600 -0.294 0.000 1.201 1274 K CA -0.156 55.934 56.287 -0.328 0.000 0.916 1274 K CB 0.017 32.152 32.500 -0.609 0.000 1.187 1274 K HN 0.492 nan 8.250 nan 0.000 0.498 1275 L N 3.409 124.411 121.223 -0.369 0.000 2.467 1275 L HA 0.148 4.473 4.340 -0.025 0.000 0.270 1275 L C 0.238 177.014 176.870 -0.156 0.000 1.205 1275 L CA -0.509 54.203 54.840 -0.215 0.000 0.828 1275 L CB 0.361 42.335 42.059 -0.140 0.000 1.101 1275 L HN 0.125 nan 8.230 nan 0.000 0.479 1276 R N 2.127 122.522 120.500 -0.174 0.000 2.265 1276 R HA 0.121 4.446 4.340 -0.025 0.000 0.314 1276 R C 0.750 176.841 176.300 -0.349 0.000 1.053 1276 R CA -0.656 55.258 56.100 -0.311 0.000 0.931 1276 R CB 1.044 31.003 30.300 -0.568 0.000 1.024 1276 R HN 0.497 nan 8.270 nan 0.000 0.457 1277 L N 4.133 125.196 121.223 -0.267 0.000 1.989 1277 L HA -0.170 4.155 4.340 -0.025 0.000 0.211 1277 L C 1.774 178.528 176.870 -0.192 0.000 1.071 1277 L CA 1.915 56.649 54.840 -0.176 0.000 0.749 1277 L CB -0.405 41.582 42.059 -0.121 0.000 0.890 1277 L HN 0.599 nan 8.230 nan 0.000 0.431 1278 L N -1.084 119.959 121.223 -0.300 0.000 2.056 1278 L HA -0.176 4.149 4.340 -0.025 0.000 0.207 1278 L C 2.141 178.987 176.870 -0.040 0.000 1.078 1278 L CA 1.822 56.582 54.840 -0.134 0.000 0.749 1278 L CB -0.899 41.113 42.059 -0.078 0.000 0.901 1278 L HN 0.543 nan 8.230 nan 0.000 0.433 1279 Y N -2.951 117.374 120.300 0.041 0.000 2.500 1279 Y HA 0.366 4.901 4.550 -0.025 0.000 0.246 1279 Y C 1.602 177.527 175.900 0.041 0.000 1.146 1279 Y CA -0.584 57.546 58.100 0.050 0.000 1.230 1279 Y CB -0.224 38.254 38.460 0.029 0.000 1.214 1279 Y HN 0.050 nan 8.280 nan 0.000 0.526 1280 E N -0.230 119.954 120.200 -0.026 0.000 2.756 1280 E HA 0.061 4.396 4.350 -0.025 0.000 0.192 1280 E C 1.456 178.047 176.600 -0.014 0.000 1.022 1280 E CA 0.773 57.181 56.400 0.013 0.000 1.224 1280 E CB -0.309 29.393 29.700 0.004 0.000 1.252 1280 E HN 0.310 nan 8.360 nan 0.000 0.494 1281 C N 1.443 120.718 119.300 -0.043 0.000 2.453 1281 C HA -0.028 4.417 4.460 -0.025 0.000 0.277 1281 C C 2.455 177.456 174.990 0.017 0.000 1.262 1281 C CA 0.872 59.888 59.018 -0.003 0.000 1.718 1281 C CB -1.194 26.535 27.740 -0.017 0.000 2.031 1281 C HN 0.452 nan 8.230 nan 0.000 0.480 1282 N N 1.030 119.739 118.700 0.014 0.000 2.058 1282 N HA -0.118 4.607 4.740 -0.025 0.000 0.191 1282 N C -1.029 174.512 175.510 0.052 0.000 1.037 1282 N CA 1.438 54.520 53.050 0.052 0.000 0.848 1282 N CB -0.732 37.803 38.487 0.080 0.000 1.021 1282 N HN 0.395 nan 8.380 nan 0.000 0.422 1283 P HA -0.151 nan 4.420 nan 0.000 0.216 1283 P C 1.121 178.449 177.300 0.047 0.000 1.153 1283 P CA 1.294 64.381 63.100 -0.021 0.000 0.858 1283 P CB 0.090 31.751 31.700 -0.066 0.000 0.789 1284 M N -1.384 118.239 119.600 0.038 0.000 2.254 1284 M HA 0.019 4.484 4.480 -0.025 0.000 0.265 1284 M C 2.097 178.438 176.300 0.068 0.000 1.066 1284 M CA 1.429 56.755 55.300 0.044 0.000 1.123 1284 M CB -1.894 30.692 32.600 -0.024 0.000 1.388 1284 M HN -0.113 nan 8.290 nan 0.000 0.425 1285 A N -0.801 122.066 122.820 0.078 0.000 1.930 1285 A HA -0.204 4.101 4.320 -0.025 0.000 0.217 1285 A C 2.154 179.794 177.584 0.093 0.000 1.175 1285 A CA 1.222 53.306 52.037 0.078 0.000 0.627 1285 A CB -1.011 18.034 19.000 0.076 0.000 0.815 1285 A HN 0.491 nan 8.150 nan 0.000 0.443 1286 Y N 0.457 120.751 120.300 -0.009 0.000 2.163 1286 Y HA -0.155 4.379 4.550 -0.026 0.000 0.288 1286 Y C 2.340 178.230 175.900 -0.017 0.000 1.136 1286 Y CA 1.872 59.961 58.100 -0.018 0.000 1.147 1286 Y CB -0.283 38.150 38.460 -0.045 0.000 0.987 1286 Y HN 0.061 nan 8.280 nan 0.000 0.509 1287 V N 0.287 120.267 119.914 0.109 0.000 2.282 1287 V HA -0.401 3.703 4.120 -0.025 0.000 0.249 1287 V C 2.452 178.523 176.094 -0.038 0.000 1.057 1287 V CA 2.141 64.455 62.300 0.023 0.000 1.032 1287 V CB -0.655 31.232 31.823 0.108 0.000 0.645 1287 V HN 0.462 nan 8.190 nan 0.000 0.447 1288 M N -0.789 118.807 119.600 -0.006 0.000 2.117 1288 M HA -0.149 4.316 4.480 -0.025 0.000 0.262 1288 M C 2.217 178.486 176.300 -0.053 0.000 1.065 1288 M CA 1.652 56.944 55.300 -0.014 0.000 1.114 1288 M CB -1.085 31.524 32.600 0.015 0.000 1.361 1288 M HN 0.453 nan 8.290 nan 0.000 0.408 1289 E N -0.309 119.839 120.200 -0.087 0.000 2.072 1289 E HA -0.169 4.166 4.350 -0.025 0.000 0.191 1289 E C 1.927 178.432 176.600 -0.159 0.000 0.985 1289 E CA 0.768 57.102 56.400 -0.109 0.000 0.801 1289 E CB 0.059 29.693 29.700 -0.109 0.000 0.750 1289 E HN 0.308 nan 8.360 nan 0.000 0.452 1290 K N 0.258 120.499 120.400 -0.265 0.000 2.280 1290 K HA -0.055 4.250 4.320 -0.025 0.000 0.202 1290 K C 1.658 178.185 176.600 -0.121 0.000 1.047 1290 K CA 0.751 56.898 56.287 -0.233 0.000 0.942 1290 K CB -0.083 32.214 32.500 -0.338 0.000 0.739 1290 K HN 0.041 nan 8.250 nan 0.000 0.457 1291 A N 0.100 122.865 122.820 -0.092 0.000 2.251 1291 A HA 0.294 4.599 4.320 -0.025 0.000 0.209 1291 A C 1.251 178.812 177.584 -0.039 0.000 1.187 1291 A CA 0.864 52.869 52.037 -0.054 0.000 0.823 1291 A CB -0.219 18.757 19.000 -0.040 0.000 0.846 1291 A HN 0.347 nan 8.150 nan 0.000 0.486 1292 G N -2.094 106.680 108.800 -0.043 0.000 2.141 1292 G HA2 -0.008 3.937 3.960 -0.025 0.000 0.231 1292 G HA3 -0.008 3.937 3.960 -0.025 0.000 0.231 1292 G C 0.627 175.519 174.900 -0.013 0.000 0.984 1292 G CA 0.261 45.346 45.100 -0.025 0.000 0.660 1292 G HN 1.327 nan 8.290 nan 0.000 0.525 1293 G N -1.061 107.730 108.800 -0.015 0.000 2.552 1293 G HA2 0.805 4.750 3.960 -0.025 0.000 0.318 1293 G HA3 0.805 4.750 3.960 -0.025 0.000 0.318 1293 G C -0.206 174.695 174.900 0.002 0.000 1.240 1293 G CA -0.981 44.121 45.100 0.003 0.000 1.002 1293 G HN 0.665 nan 8.290 nan 0.000 0.493 1294 L N -0.802 120.431 121.223 0.016 0.000 2.301 1294 L HA 0.784 5.109 4.340 -0.025 0.000 0.264 1294 L C -0.121 176.763 176.870 0.024 0.000 1.016 1294 L CA -1.155 53.693 54.840 0.013 0.000 0.821 1294 L CB 2.486 44.552 42.059 0.011 0.000 1.346 1294 L HN 0.641 nan 8.230 nan 0.000 0.429 1295 A N 0.668 123.500 122.820 0.019 0.000 2.530 1295 A HA 0.650 4.955 4.320 -0.025 0.000 0.279 1295 A C -0.741 176.848 177.584 0.008 0.000 1.109 1295 A CA -0.351 51.703 52.037 0.028 0.000 0.763 1295 A CB 1.660 20.685 19.000 0.042 0.000 1.257 1295 A HN 0.581 nan 8.150 nan 0.000 0.424 1296 T N 0.020 114.568 114.554 -0.010 0.000 2.916 1296 T HA 0.575 4.910 4.350 -0.025 0.000 0.292 1296 T C 1.261 175.917 174.700 -0.073 0.000 1.064 1296 T CA 0.499 62.571 62.100 -0.047 0.000 1.011 1296 T CB 1.513 70.340 68.868 -0.069 0.000 1.152 1296 T HN 1.175 nan 8.240 nan 0.000 0.510 1297 T N -0.638 113.850 114.554 -0.110 0.000 3.100 1297 T HA 0.384 4.719 4.350 -0.025 0.000 0.253 1297 T C 1.569 176.090 174.700 -0.297 0.000 1.118 1297 T CA 1.084 63.097 62.100 -0.144 0.000 1.058 1297 T CB -0.212 68.583 68.868 -0.123 0.000 0.953 1297 T HN 1.491 nan 8.240 nan 0.000 0.515 1298 G N 1.313 109.889 108.800 -0.375 0.000 2.284 1298 G HA2 -0.215 3.730 3.960 -0.025 0.000 0.216 1298 G HA3 -0.215 3.730 3.960 -0.025 0.000 0.216 1298 G C 0.818 175.356 174.900 -0.603 0.000 1.009 1298 G CA 0.237 44.854 45.100 -0.805 0.000 0.625 1298 G HN 0.547 nan 8.290 nan 0.000 0.501 1299 K N 0.316 120.506 120.400 -0.350 0.000 2.538 1299 K HA 0.335 4.640 4.320 -0.025 0.000 0.215 1299 K C 0.416 176.948 176.600 -0.113 0.000 1.345 1299 K CA 0.742 56.911 56.287 -0.197 0.000 0.985 1299 K CB 1.017 33.419 32.500 -0.164 0.000 1.116 1299 K HN 0.655 nan 8.250 nan 0.000 0.582 1300 E N -0.136 119.999 120.200 -0.107 0.000 2.412 1300 E HA 0.558 4.893 4.350 -0.025 0.000 0.279 1300 E C -1.438 175.131 176.600 -0.051 0.000 0.984 1300 E CA -1.194 55.169 56.400 -0.063 0.000 0.788 1300 E CB 1.435 31.106 29.700 -0.049 0.000 1.277 1300 E HN -0.032 nan 8.360 nan 0.000 0.455 1301 A N 1.908 124.711 122.820 -0.028 0.000 2.520 1301 A HA 0.218 4.523 4.320 -0.025 0.000 0.245 1301 A C 1.090 178.671 177.584 -0.005 0.000 1.072 1301 A CA -0.284 51.745 52.037 -0.013 0.000 0.761 1301 A CB 0.517 19.517 19.000 0.001 0.000 1.004 1301 A HN 0.516 nan 8.150 nan 0.000 0.499 1302 V N 3.435 123.350 119.914 0.002 0.000 2.407 1302 V HA -0.246 3.859 4.120 -0.025 0.000 0.248 1302 V C 2.304 178.416 176.094 0.029 0.000 1.055 1302 V CA 2.197 64.503 62.300 0.009 0.000 1.049 1302 V CB -0.786 31.048 31.823 0.018 0.000 0.662 1302 V HN 0.844 nan 8.190 nan 0.000 0.455 1303 L N -0.299 120.953 121.223 0.049 0.000 2.362 1303 L HA -0.119 4.206 4.340 -0.025 0.000 0.219 1303 L C 1.803 178.712 176.870 0.064 0.000 1.134 1303 L CA 0.983 55.870 54.840 0.079 0.000 0.807 1303 L CB -0.468 41.654 42.059 0.104 0.000 0.927 1303 L HN 0.353 nan 8.230 nan 0.000 0.447 1304 D N -0.128 120.294 120.400 0.037 0.000 2.354 1304 D HA 0.162 4.787 4.640 -0.025 0.000 0.209 1304 D C 0.884 177.191 176.300 0.013 0.000 1.015 1304 D CA 0.238 54.254 54.000 0.026 0.000 0.867 1304 D CB 0.323 41.132 40.800 0.016 0.000 0.933 1304 D HN 0.217 nan 8.370 nan 0.000 0.520 1305 I N 1.337 121.911 120.570 0.007 0.000 2.683 1305 I HA -0.063 4.092 4.170 -0.025 0.000 0.286 1305 I C 0.274 176.385 176.117 -0.009 0.000 1.175 1305 I CA -0.060 61.236 61.300 -0.007 0.000 1.429 1305 I CB 0.990 38.982 38.000 -0.015 0.000 1.371 1305 I HN -0.350 nan 8.210 nan 0.000 0.569 1306 V N 8.518 128.422 119.914 -0.018 0.000 2.348 1306 V HA 0.237 4.342 4.120 -0.025 0.000 0.270 1306 V C -1.916 174.155 176.094 -0.038 0.000 1.037 1306 V CA -1.521 60.761 62.300 -0.029 0.000 0.872 1306 V CB 0.657 32.464 31.823 -0.027 0.000 1.002 1306 V HN 0.618 nan 8.190 nan 0.000 0.464 1307 P HA 0.274 nan 4.420 nan 0.000 0.274 1307 P C 0.639 177.906 177.300 -0.054 0.000 1.231 1307 P CA -0.171 62.895 63.100 -0.056 0.000 0.790 1307 P CB 0.734 32.391 31.700 -0.073 0.000 0.951 1308 T N -3.767 110.760 114.554 -0.046 0.000 3.043 1308 T HA 0.207 4.542 4.350 -0.025 0.000 0.272 1308 T C -0.148 174.529 174.700 -0.039 0.000 0.990 1308 T CA -0.049 62.027 62.100 -0.039 0.000 0.897 1308 T CB -0.128 68.724 68.868 -0.027 0.000 1.111 1308 T HN 0.358 nan 8.240 nan 0.000 0.529 1309 D N 1.353 121.726 120.400 -0.046 0.000 2.936 1309 D HA 0.269 4.894 4.640 -0.025 0.000 0.238 1309 D C 1.298 177.549 176.300 -0.080 0.000 1.248 1309 D CA -1.035 52.940 54.000 -0.042 0.000 0.903 1309 D CB 1.471 42.265 40.800 -0.009 0.000 1.544 1309 D HN 0.044 nan 8.370 nan 0.000 0.543 1310 I N 1.587 122.071 120.570 -0.142 0.000 2.614 1310 I HA -0.070 4.085 4.170 -0.025 0.000 0.258 1310 I C 0.354 176.316 176.117 -0.259 0.000 1.189 1310 I CA 1.319 62.480 61.300 -0.231 0.000 1.462 1310 I CB -0.896 36.900 38.000 -0.341 0.000 1.092 1310 I HN 0.396 nan 8.210 nan 0.000 0.442 1311 H N 1.570 120.662 119.070 0.036 0.000 2.505 1311 H HA 0.333 4.874 4.556 -0.026 0.000 0.286 1311 H C 0.463 175.769 175.328 -0.036 0.000 1.072 1311 H CA -0.337 55.739 56.048 0.048 0.000 1.141 1311 H CB 0.047 29.857 29.762 0.080 0.000 1.550 1311 H HN 0.541 nan 8.280 nan 0.000 0.547 1312 Q N 1.603 121.406 119.800 0.004 0.000 2.349 1312 Q HA 0.041 4.366 4.340 -0.025 0.000 0.287 1312 Q C -0.084 175.874 176.000 -0.070 0.000 1.044 1312 Q CA 0.165 55.949 55.803 -0.030 0.000 0.918 1312 Q CB 0.777 29.483 28.738 -0.052 0.000 1.242 1312 Q HN 0.338 nan 8.270 nan 0.000 0.405 1313 R N 1.121 121.589 120.500 -0.054 0.000 2.549 1313 R HA 0.753 5.078 4.340 -0.025 0.000 0.267 1313 R C -1.089 175.170 176.300 -0.069 0.000 1.045 1313 R CA -0.350 55.705 56.100 -0.075 0.000 1.115 1313 R CB 1.561 31.825 30.300 -0.060 0.000 1.121 1313 R HN 0.662 nan 8.270 nan 0.000 0.543 1314 A N 2.050 124.826 122.820 -0.073 0.000 2.549 1314 A HA 0.557 4.862 4.320 -0.025 0.000 0.297 1314 A C -2.703 174.859 177.584 -0.036 0.000 1.061 1314 A CA -1.809 50.197 52.037 -0.051 0.000 0.690 1314 A CB 1.695 20.667 19.000 -0.048 0.000 1.287 1314 A HN 0.376 nan 8.150 nan 0.000 0.402 1315 P HA 0.492 nan 4.420 nan 0.000 0.271 1315 P C -0.708 176.597 177.300 0.007 0.000 1.218 1315 P CA 0.169 63.271 63.100 0.004 0.000 0.780 1315 P CB 0.703 32.386 31.700 -0.028 0.000 0.901 1316 I N 2.299 122.899 120.570 0.049 0.000 2.644 1316 I HA 0.444 4.599 4.170 -0.025 0.000 0.291 1316 I C -1.674 174.475 176.117 0.053 0.000 1.180 1316 I CA -1.026 60.310 61.300 0.060 0.000 1.040 1316 I CB 1.420 39.490 38.000 0.116 0.000 1.255 1316 I HN 0.047 nan 8.210 nan 0.000 0.422 1317 I N 8.350 128.936 120.570 0.026 0.000 2.439 1317 I HA 0.499 4.654 4.170 -0.025 0.000 0.285 1317 I C -0.926 175.227 176.117 0.059 0.000 1.021 1317 I CA -0.282 61.026 61.300 0.012 0.000 1.091 1317 I CB 1.636 39.604 38.000 -0.053 0.000 1.242 1317 I HN 0.427 nan 8.210 nan 0.000 0.439 1318 L N 3.955 125.257 121.223 0.132 0.000 2.403 1318 L HA 1.181 5.506 4.340 -0.025 0.000 0.253 1318 L C 0.131 177.082 176.870 0.136 0.000 1.045 1318 L CA -0.396 54.518 54.840 0.123 0.000 0.845 1318 L CB 1.608 43.752 42.059 0.143 0.000 1.447 1318 L HN 0.761 nan 8.230 nan 0.000 0.411 1319 G N -0.809 108.049 108.800 0.097 0.000 2.247 1319 G HA2 0.110 4.055 3.960 -0.025 0.000 0.229 1319 G HA3 0.110 4.055 3.960 -0.025 0.000 0.229 1319 G C -1.079 173.865 174.900 0.074 0.000 1.345 1319 G CA -0.406 44.752 45.100 0.097 0.000 1.100 1319 G HN 0.820 nan 8.290 nan 0.000 0.473 1320 S N 3.266 119.018 115.700 0.086 0.000 2.563 1320 S HA 0.296 4.751 4.470 -0.025 0.000 0.294 1320 S C -0.654 173.988 174.600 0.070 0.000 1.279 1320 S CA 0.229 58.474 58.200 0.075 0.000 1.069 1320 S CB 1.494 64.750 63.200 0.093 0.000 0.828 1320 S HN 0.526 nan 8.310 nan 0.000 0.497 1321 P HA -0.165 nan 4.420 nan 0.000 0.215 1321 P C 0.898 178.228 177.300 0.051 0.000 1.153 1321 P CA 1.281 64.405 63.100 0.040 0.000 0.853 1321 P CB 0.189 31.906 31.700 0.029 0.000 0.788 1322 E N -0.450 119.789 120.200 0.065 0.000 2.204 1322 E HA -0.137 4.198 4.350 -0.025 0.000 0.194 1322 E C 1.713 178.377 176.600 0.107 0.000 0.989 1322 E CA 0.790 57.236 56.400 0.077 0.000 0.824 1322 E CB -0.295 29.453 29.700 0.081 0.000 0.756 1322 E HN 0.335 nan 8.360 nan 0.000 0.477 1323 D N 0.342 120.825 120.400 0.138 0.000 2.103 1323 D HA -0.093 4.532 4.640 -0.025 0.000 0.199 1323 D C 2.140 178.484 176.300 0.074 0.000 0.978 1323 D CA 0.762 54.875 54.000 0.188 0.000 0.829 1323 D CB -0.058 40.912 40.800 0.285 0.000 0.981 1323 D HN 0.023 nan 8.370 nan 0.000 0.464 1324 V N 1.361 121.300 119.914 0.042 0.000 2.407 1324 V HA -0.206 3.899 4.120 -0.025 0.000 0.248 1324 V C 2.504 178.581 176.094 -0.028 0.000 1.055 1324 V CA 1.730 64.016 62.300 -0.022 0.000 1.049 1324 V CB -0.754 31.072 31.823 0.004 0.000 0.662 1324 V HN 0.203 nan 8.190 nan 0.000 0.455 1325 T N -0.581 113.980 114.554 0.011 0.000 2.821 1325 T HA -0.215 4.120 4.350 -0.025 0.000 0.267 1325 T C 1.869 176.580 174.700 0.018 0.000 1.046 1325 T CA 1.666 63.775 62.100 0.016 0.000 1.139 1325 T CB -0.165 68.720 68.868 0.029 0.000 0.871 1325 T HN 0.680 nan 8.240 nan 0.000 0.454 1326 E N 0.470 120.690 120.200 0.034 0.000 2.077 1326 E HA -0.148 4.187 4.350 -0.025 0.000 0.193 1326 E C 2.129 178.738 176.600 0.015 0.000 0.989 1326 E CA 0.877 57.315 56.400 0.063 0.000 0.800 1326 E CB -0.160 29.630 29.700 0.150 0.000 0.746 1326 E HN 0.297 nan 8.360 nan 0.000 0.452 1327 L N 0.792 121.929 121.223 -0.144 0.000 2.109 1327 L HA -0.058 4.267 4.340 -0.025 0.000 0.207 1327 L C 2.080 178.943 176.870 -0.012 0.000 1.086 1327 L CA 1.347 56.026 54.840 -0.269 0.000 0.760 1327 L CB -0.385 41.291 42.059 -0.638 0.000 0.910 1327 L HN 0.230 nan 8.230 nan 0.000 0.437 1328 L N -0.592 120.645 121.223 0.023 0.000 2.083 1328 L HA -0.227 4.098 4.340 -0.025 0.000 0.209 1328 L C 2.498 179.430 176.870 0.103 0.000 1.083 1328 L CA 1.458 56.352 54.840 0.091 0.000 0.752 1328 L CB -0.453 41.623 42.059 0.029 0.000 0.899 1328 L HN 0.352 nan 8.230 nan 0.000 0.433 1329 E N -0.088 120.149 120.200 0.062 0.000 2.085 1329 E HA -0.239 4.096 4.350 -0.025 0.000 0.194 1329 E C 2.166 178.810 176.600 0.074 0.000 0.994 1329 E CA 1.101 57.536 56.400 0.059 0.000 0.801 1329 E CB 0.026 29.753 29.700 0.045 0.000 0.743 1329 E HN 0.344 nan 8.360 nan 0.000 0.453 1330 I N 0.166 120.773 120.570 0.062 0.000 2.226 1330 I HA -0.239 3.916 4.170 -0.025 0.000 0.245 1330 I C 2.015 178.181 176.117 0.082 0.000 1.100 1330 I CA 1.454 62.794 61.300 0.066 0.000 1.374 1330 I CB -1.150 36.839 38.000 -0.018 0.000 1.057 1330 I HN 0.149 nan 8.210 nan 0.000 0.413 1331 Y N 1.585 121.897 120.300 0.021 0.000 2.145 1331 Y HA -0.231 4.304 4.550 -0.025 0.000 0.286 1331 Y C 2.841 178.777 175.900 0.061 0.000 1.145 1331 Y CA 1.568 59.679 58.100 0.019 0.000 1.148 1331 Y CB -0.499 37.942 38.460 -0.033 0.000 0.981 1331 Y HN 0.265 nan 8.280 nan 0.000 0.507 1332 Q N 0.082 120.002 119.800 0.201 0.000 2.045 1332 Q HA -0.300 4.025 4.340 -0.025 0.000 0.206 1332 Q C 2.265 178.319 176.000 0.089 0.000 0.991 1332 Q CA 2.050 57.923 55.803 0.116 0.000 0.851 1332 Q CB -0.334 28.450 28.738 0.076 0.000 0.911 1332 Q HN 0.406 nan 8.270 nan 0.000 0.418 1333 K N 0.096 120.543 120.400 0.079 0.000 2.152 1333 K HA -0.195 4.110 4.320 -0.025 0.000 0.206 1333 K C 1.612 178.183 176.600 -0.047 0.000 1.048 1333 K CA 1.355 57.647 56.287 0.008 0.000 0.933 1333 K CB -0.016 32.479 32.500 -0.008 0.000 0.721 1333 K HN 0.365 nan 8.250 nan 0.000 0.447 1334 H N -0.385 118.684 119.070 -0.001 0.000 2.548 1334 H HA 0.170 4.711 4.556 -0.025 0.000 0.265 1334 H C 0.204 175.547 175.328 0.025 0.000 0.969 1334 H CA 0.265 56.310 56.048 -0.005 0.000 1.155 1334 H CB 0.264 30.000 29.762 -0.044 0.000 1.394 1334 H HN 0.244 nan 8.280 nan 0.000 0.570 1335 A N 1.572 124.472 122.820 0.135 0.000 2.540 1335 A HA 0.443 4.748 4.320 -0.025 0.000 0.239 1335 A C 0.350 177.972 177.584 0.062 0.000 1.061 1335 A CA 0.510 52.610 52.037 0.105 0.000 0.758 1335 A CB 0.016 19.067 19.000 0.084 0.000 0.991 1335 A HN 0.402 nan 8.150 nan 0.000 0.502 1336 A N 2.241 125.096 122.820 0.058 0.000 2.485 1336 A HA 0.692 4.997 4.320 -0.025 0.000 0.292 1336 A C 0.278 177.879 177.584 0.030 0.000 1.147 1336 A CA -0.544 51.515 52.037 0.038 0.000 0.750 1336 A CB 0.714 19.738 19.000 0.040 0.000 1.331 1336 A HN 1.041 nan 8.150 nan 0.000 0.419 1337 K N 0.000 120.412 120.400 0.021 0.000 2.780 1337 K HA 0.000 4.305 4.320 -0.025 0.000 0.191 1337 K CA 0.000 56.297 56.287 0.016 0.000 0.838 1337 K CB 0.000 32.507 32.500 0.011 0.000 1.064 1337 K HN 0.000 nan 8.250 nan 0.000 0.543