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 1nv3_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 LLEIYQKHA 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 0.000 176.308 176.300 0.013 0.000 2.045 1007 D CA 0.000 54.007 54.000 0.012 0.000 0.868 1007 D CB 0.000 40.805 40.800 0.009 0.000 0.688 1008 T N -1.523 113.040 114.554 0.014 0.000 3.054 1008 T HA 0.276 4.609 4.350 -0.029 0.000 0.255 1008 T C 0.623 175.334 174.700 0.019 0.000 1.035 1008 T CA -0.021 62.088 62.100 0.014 0.000 0.941 1008 T CB 0.104 68.979 68.868 0.011 0.000 1.026 1008 T HN -0.071 nan 8.240 nan 0.000 0.533 1009 N N 2.776 121.491 118.700 0.024 0.000 2.806 1009 N HA 0.223 4.946 4.740 -0.029 0.000 0.315 1009 N C -0.044 175.492 175.510 0.043 0.000 1.738 1009 N CA -0.997 52.071 53.050 0.031 0.000 0.993 1009 N CB 0.001 38.506 38.487 0.030 0.000 1.324 1009 N HN 0.530 nan 8.380 nan 0.000 0.493 1010 I N -0.111 120.485 120.570 0.043 0.000 2.752 1010 I HA 0.093 4.246 4.170 -0.029 0.000 0.286 1010 I C -0.428 175.737 176.117 0.081 0.000 1.180 1010 I CA 0.017 61.349 61.300 0.054 0.000 1.404 1010 I CB -0.576 37.450 38.000 0.042 0.000 1.389 1010 I HN -0.160 nan 8.210 nan 0.000 0.549 1011 V N 7.848 127.826 119.914 0.107 0.000 2.322 1011 V HA 0.173 4.275 4.120 -0.029 0.000 0.258 1011 V C 1.210 177.430 176.094 0.210 0.000 1.074 1011 V CA -0.197 62.201 62.300 0.162 0.000 0.909 1011 V CB 0.095 32.034 31.823 0.194 0.000 1.090 1011 V HN 0.996 nan 8.190 nan 0.000 0.486 1012 T N 1.726 116.385 114.554 0.176 0.000 2.847 1012 T HA 0.384 4.717 4.350 -0.029 0.000 0.279 1012 T C 1.243 176.020 174.700 0.129 0.000 0.984 1012 T CA -0.486 61.710 62.100 0.159 0.000 0.988 1012 T CB 1.409 70.330 68.868 0.088 0.000 1.040 1012 T HN 0.305 nan 8.240 nan 0.000 0.528 1013 L N 0.576 121.735 121.223 -0.106 0.000 2.012 1013 L HA -0.100 4.222 4.340 -0.029 0.000 0.210 1013 L C 2.785 179.530 176.870 -0.208 0.000 1.073 1013 L CA 1.997 56.474 54.840 -0.605 0.000 0.748 1013 L CB -0.989 40.559 42.059 -0.853 0.000 0.891 1013 L HN 0.947 nan 8.230 nan 0.000 0.431 1014 T N -0.506 113.992 114.554 -0.094 0.000 2.607 1014 T HA -0.289 4.043 4.350 -0.029 0.000 0.267 1014 T C 1.954 176.670 174.700 0.027 0.000 1.049 1014 T CA 1.862 63.942 62.100 -0.033 0.000 1.162 1014 T CB -0.287 68.574 68.868 -0.012 0.000 0.863 1014 T HN 0.342 nan 8.240 nan 0.000 0.424 1015 R N -0.270 120.270 120.500 0.067 0.000 2.082 1015 R HA -0.114 4.209 4.340 -0.029 0.000 0.234 1015 R C 2.333 178.712 176.300 0.132 0.000 1.136 1015 R CA 1.850 58.004 56.100 0.089 0.000 0.935 1015 R CB -0.720 29.642 30.300 0.103 0.000 0.842 1015 R HN 0.434 nan 8.270 nan 0.000 0.430 1016 F N 0.956 120.945 119.950 0.065 0.000 2.091 1016 F HA -0.281 4.230 4.527 -0.028 0.000 0.299 1016 F C 2.169 178.010 175.800 0.068 0.000 1.103 1016 F CA 1.857 59.925 58.000 0.113 0.000 1.228 1016 F CB -0.310 38.855 39.000 0.275 0.000 0.984 1016 F HN -0.142 nan 8.300 nan 0.000 0.477 1017 V N 0.631 120.708 119.914 0.272 0.000 2.261 1017 V HA -0.377 3.726 4.120 -0.029 0.000 0.246 1017 V C 2.438 178.553 176.094 0.036 0.000 1.047 1017 V CA 2.271 64.656 62.300 0.141 0.000 1.015 1017 V CB -0.599 31.259 31.823 0.058 0.000 0.642 1017 V HN 0.408 nan 8.190 nan 0.000 0.446 1018 M N -0.531 119.084 119.600 0.025 0.000 2.088 1018 M HA -0.277 4.186 4.480 -0.029 0.000 0.256 1018 M C 2.250 178.538 176.300 -0.020 0.000 1.071 1018 M CA 2.170 57.472 55.300 0.004 0.000 1.097 1018 M CB -0.616 31.990 32.600 0.009 0.000 1.315 1018 M HN 0.430 nan 8.290 nan 0.000 0.406 1019 E N -0.447 119.726 120.200 -0.045 0.000 2.150 1019 E HA -0.221 4.112 4.350 -0.029 0.000 0.193 1019 E C 1.724 178.251 176.600 -0.123 0.000 0.985 1019 E CA 0.992 57.343 56.400 -0.082 0.000 0.814 1019 E CB -0.149 29.486 29.700 -0.108 0.000 0.752 1019 E HN 0.444 nan 8.360 nan 0.000 0.466 1020 E N 1.014 121.118 120.200 -0.160 0.000 2.026 1020 E HA -0.156 4.177 4.350 -0.029 0.000 0.206 1020 E C 1.554 178.114 176.600 -0.066 0.000 1.028 1020 E CA 1.747 58.056 56.400 -0.153 0.000 0.845 1020 E CB -0.414 29.236 29.700 -0.084 0.000 0.772 1020 E HN 0.204 nan 8.360 nan 0.000 0.462 1021 G N -0.719 108.065 108.800 -0.027 0.000 3.678 1021 G HA2 0.005 3.948 3.960 -0.029 0.000 0.287 1021 G HA3 0.005 3.948 3.960 -0.029 0.000 0.287 1021 G C 0.931 175.828 174.900 -0.005 0.000 1.280 1021 G CA -0.138 44.959 45.100 -0.003 0.000 1.118 1021 G HN 0.028 nan 8.290 nan 0.000 0.563 1022 R N 1.459 121.948 120.500 -0.019 0.000 2.237 1022 R HA -0.020 4.303 4.340 -0.029 0.000 0.219 1022 R C 2.372 178.667 176.300 -0.009 0.000 1.080 1022 R CA 1.296 57.388 56.100 -0.014 0.000 0.995 1022 R CB 0.085 30.372 30.300 -0.023 0.000 0.875 1022 R HN 0.414 nan 8.270 nan 0.000 0.462 1023 K N -1.517 118.878 120.400 -0.009 0.000 2.276 1023 K HA 0.176 4.479 4.320 -0.029 0.000 0.198 1023 K C 0.912 177.514 176.600 0.004 0.000 1.052 1023 K CA 1.068 57.352 56.287 -0.004 0.000 0.984 1023 K CB -0.017 32.479 32.500 -0.007 0.000 0.836 1023 K HN 0.053 nan 8.250 nan 0.000 0.490 1024 A N 2.538 125.363 122.820 0.008 0.000 2.412 1024 A HA 0.191 4.494 4.320 -0.029 0.000 0.253 1024 A C 0.804 178.401 177.584 0.021 0.000 1.334 1024 A CA -0.413 51.634 52.037 0.017 0.000 0.929 1024 A CB -0.493 18.523 19.000 0.026 0.000 0.983 1024 A HN 0.293 nan 8.150 nan 0.000 0.508 1025 R N -0.243 120.265 120.500 0.014 0.000 3.440 1025 R HA -0.311 4.012 4.340 -0.029 0.000 0.591 1025 R C 1.100 177.413 176.300 0.022 0.000 0.249 1025 R CA 2.308 58.416 56.100 0.014 0.000 1.105 1025 R CB -1.749 28.557 30.300 0.010 0.000 0.666 1025 R HN 1.799 nan 8.270 nan 0.000 0.426 1026 G N -2.868 105.946 108.800 0.023 0.000 2.787 1026 G HA2 -0.283 3.659 3.960 -0.029 0.000 0.685 1026 G HA3 -0.283 3.659 3.960 -0.029 0.000 0.685 1026 G C 0.798 175.715 174.900 0.030 0.000 1.437 1026 G CA 1.273 46.393 45.100 0.033 0.000 0.872 1026 G HN 0.807 nan 8.290 nan 0.000 0.566 1027 T N -1.814 112.760 114.554 0.033 0.000 2.720 1027 T HA 0.260 4.592 4.350 -0.029 0.000 0.268 1027 T C 2.756 177.480 174.700 0.039 0.000 1.037 1027 T CA 2.311 64.428 62.100 0.029 0.000 1.144 1027 T CB -0.402 68.483 68.868 0.027 0.000 0.864 1027 T HN 2.858 nan 8.240 nan 0.000 0.444 1028 G N 1.632 110.470 108.800 0.063 0.000 2.132 1028 G HA2 -0.243 3.700 3.960 -0.029 0.000 0.228 1028 G HA3 -0.243 3.700 3.960 -0.029 0.000 0.228 1028 G C 0.459 175.409 174.900 0.084 0.000 1.000 1028 G CA 0.369 45.506 45.100 0.062 0.000 0.693 1028 G HN 0.710 nan 8.290 nan 0.000 0.515 1029 E N -0.969 119.314 120.200 0.139 0.000 2.347 1029 E HA 0.054 4.387 4.350 -0.029 0.000 0.196 1029 E C 2.261 178.968 176.600 0.179 0.000 1.008 1029 E CA 0.996 57.500 56.400 0.174 0.000 0.852 1029 E CB -0.081 29.748 29.700 0.215 0.000 0.783 1029 E HN 0.533 nan 8.360 nan 0.000 0.505 1030 M N 1.726 121.426 119.600 0.168 0.000 2.099 1030 M HA -0.090 4.373 4.480 -0.029 0.000 0.262 1030 M C 2.021 178.279 176.300 -0.071 0.000 1.067 1030 M CA 1.813 57.076 55.300 -0.061 0.000 1.124 1030 M CB -0.583 31.968 32.600 -0.082 0.000 1.353 1030 M HN -0.072 nan 8.290 nan 0.000 0.410 1031 T N 0.492 115.036 114.554 -0.016 0.000 2.746 1031 T HA -0.172 4.161 4.350 -0.029 0.000 0.267 1031 T C 1.739 176.417 174.700 -0.037 0.000 1.039 1031 T CA 1.772 63.853 62.100 -0.033 0.000 1.142 1031 T CB -0.238 68.625 68.868 -0.008 0.000 0.866 1031 T HN 0.543 nan 8.240 nan 0.000 0.444 1032 Q N 0.260 120.060 119.800 -0.001 0.000 2.096 1032 Q HA -0.048 4.275 4.340 -0.029 0.000 0.204 1032 Q C 2.350 178.332 176.000 -0.030 0.000 0.982 1032 Q CA 0.975 56.784 55.803 0.010 0.000 0.850 1032 Q CB -0.299 28.479 28.738 0.067 0.000 0.901 1032 Q HN 0.322 nan 8.270 nan 0.000 0.422 1033 L N 0.700 121.892 121.223 -0.051 0.000 1.994 1033 L HA -0.172 4.150 4.340 -0.029 0.000 0.208 1033 L C 2.103 178.856 176.870 -0.196 0.000 1.071 1033 L CA 1.683 56.455 54.840 -0.114 0.000 0.745 1033 L CB -0.645 41.319 42.059 -0.158 0.000 0.892 1033 L HN 0.359 nan 8.230 nan 0.000 0.431 1034 L N -0.266 120.830 121.223 -0.212 0.000 2.141 1034 L HA -0.232 4.091 4.340 -0.029 0.000 0.209 1034 L C 2.263 178.992 176.870 -0.236 0.000 1.094 1034 L CA 0.922 55.598 54.840 -0.272 0.000 0.763 1034 L CB -0.644 41.272 42.059 -0.239 0.000 0.908 1034 L HN 0.357 nan 8.230 nan 0.000 0.437 1035 N N -0.245 118.364 118.700 -0.152 0.000 2.120 1035 N HA -0.140 4.583 4.740 -0.029 0.000 0.188 1035 N C 2.060 177.509 175.510 -0.102 0.000 1.024 1035 N CA 1.485 54.473 53.050 -0.104 0.000 0.852 1035 N CB -0.261 38.193 38.487 -0.055 0.000 1.003 1035 N HN 0.128 nan 8.380 nan 0.000 0.424 1036 S N 0.848 116.480 115.700 -0.113 0.000 2.353 1036 S HA -0.112 4.340 4.470 -0.029 0.000 0.222 1036 S C 1.880 176.380 174.600 -0.167 0.000 1.035 1036 S CA 0.692 58.820 58.200 -0.120 0.000 1.025 1036 S CB -0.488 62.639 63.200 -0.122 0.000 0.902 1036 S HN 0.194 nan 8.310 nan 0.000 0.440 1037 L N 1.540 122.612 121.223 -0.252 0.000 2.012 1037 L HA -0.135 4.188 4.340 -0.029 0.000 0.210 1037 L C 2.439 179.154 176.870 -0.259 0.000 1.073 1037 L CA 1.524 56.162 54.840 -0.337 0.000 0.748 1037 L CB -1.040 40.688 42.059 -0.552 0.000 0.891 1037 L HN 0.379 nan 8.230 nan 0.000 0.431 1038 C N -1.345 117.810 119.300 -0.241 0.000 2.401 1038 C HA -0.210 4.233 4.460 -0.029 0.000 0.276 1038 C C 2.674 177.722 174.990 0.095 0.000 1.233 1038 C CA 1.508 60.457 59.018 -0.114 0.000 1.753 1038 C CB -1.280 26.430 27.740 -0.048 0.000 2.029 1038 C HN 0.610 nan 8.230 nan 0.000 0.478 1039 T N 0.926 115.490 114.554 0.016 0.000 2.720 1039 T HA -0.151 4.181 4.350 -0.029 0.000 0.268 1039 T C 2.064 176.770 174.700 0.010 0.000 1.037 1039 T CA 1.754 63.867 62.100 0.022 0.000 1.144 1039 T CB -0.401 68.457 68.868 -0.018 0.000 0.864 1039 T HN 0.665 nan 8.240 nan 0.000 0.444 1040 A N 0.739 123.535 122.820 -0.039 0.000 1.930 1040 A HA -0.016 4.286 4.320 -0.029 0.000 0.217 1040 A C 2.563 180.160 177.584 0.022 0.000 1.175 1040 A CA 1.145 53.157 52.037 -0.043 0.000 0.627 1040 A CB -0.884 18.050 19.000 -0.109 0.000 0.815 1040 A HN 0.362 nan 8.150 nan 0.000 0.443 1041 V N 0.064 120.020 119.914 0.071 0.000 2.427 1041 V HA -0.255 3.848 4.120 -0.029 0.000 0.248 1041 V C 2.436 178.697 176.094 0.279 0.000 1.051 1041 V CA 2.295 64.729 62.300 0.224 0.000 1.048 1041 V CB -0.603 31.339 31.823 0.198 0.000 0.666 1041 V HN 0.539 nan 8.190 nan 0.000 0.456 1042 K N 0.080 120.624 120.400 0.240 0.000 2.097 1042 K HA -0.115 4.188 4.320 -0.029 0.000 0.206 1042 K C 2.260 178.881 176.600 0.035 0.000 1.049 1042 K CA 1.452 57.818 56.287 0.130 0.000 0.933 1042 K CB -0.347 32.192 32.500 0.065 0.000 0.717 1042 K HN 0.483 nan 8.250 nan 0.000 0.442 1043 A N 1.040 123.869 122.820 0.014 0.000 1.968 1043 A HA -0.088 4.215 4.320 -0.029 0.000 0.217 1043 A C 2.034 179.575 177.584 -0.070 0.000 1.169 1043 A CA 1.077 53.095 52.037 -0.030 0.000 0.638 1043 A CB -0.406 18.575 19.000 -0.031 0.000 0.812 1043 A HN 0.158 nan 8.150 nan 0.000 0.446 1044 I N -1.021 119.499 120.570 -0.084 0.000 2.286 1044 I HA -0.175 3.977 4.170 -0.029 0.000 0.245 1044 I C 2.794 178.685 176.117 -0.376 0.000 1.104 1044 I CA 1.318 62.492 61.300 -0.209 0.000 1.397 1044 I CB -0.215 37.660 38.000 -0.207 0.000 1.072 1044 I HN 0.373 nan 8.210 nan 0.000 0.417 1045 S N 0.224 115.745 115.700 -0.297 0.000 2.359 1045 S HA -0.205 4.247 4.470 -0.029 0.000 0.224 1045 S C 2.100 176.610 174.600 -0.150 0.000 1.035 1045 S CA 2.348 60.398 58.200 -0.249 0.000 1.018 1045 S CB -0.329 62.923 63.200 0.086 0.000 0.876 1045 S HN 0.429 nan 8.310 nan 0.000 0.448 1046 T N 1.923 116.417 114.554 -0.100 0.000 2.746 1046 T HA 0.027 4.360 4.350 -0.029 0.000 0.267 1046 T C 2.058 176.696 174.700 -0.104 0.000 1.039 1046 T CA 1.283 63.334 62.100 -0.083 0.000 1.142 1046 T CB -0.662 68.167 68.868 -0.064 0.000 0.866 1046 T HN 0.520 nan 8.240 nan 0.000 0.444 1047 A N 0.884 123.629 122.820 -0.125 0.000 1.902 1047 A HA -0.032 4.271 4.320 -0.029 0.000 0.217 1047 A C 2.570 180.059 177.584 -0.158 0.000 1.181 1047 A CA 1.246 53.202 52.037 -0.134 0.000 0.623 1047 A CB -0.930 17.993 19.000 -0.128 0.000 0.818 1047 A HN 0.359 nan 8.150 nan 0.000 0.443 1048 V N -0.344 119.461 119.914 -0.181 0.000 2.358 1048 V HA -0.171 3.931 4.120 -0.029 0.000 0.246 1048 V C 2.537 178.579 176.094 -0.087 0.000 1.047 1048 V CA 2.042 64.252 62.300 -0.149 0.000 1.035 1048 V CB -0.739 30.955 31.823 -0.215 0.000 0.658 1048 V HN 0.416 nan 8.190 nan 0.000 0.452 1049 R N 0.998 121.450 120.500 -0.080 0.000 2.285 1049 R HA -0.068 4.255 4.340 -0.029 0.000 0.213 1049 R C 1.585 177.853 176.300 -0.054 0.000 1.068 1049 R CA 0.866 56.943 56.100 -0.039 0.000 1.004 1049 R CB -0.302 29.979 30.300 -0.031 0.000 0.873 1049 R HN 0.744 nan 8.270 nan 0.000 0.467 1050 K N -2.457 117.883 120.400 -0.100 0.000 2.734 1050 K HA 0.381 4.683 4.320 -0.029 0.000 0.200 1050 K C 0.915 177.383 176.600 -0.220 0.000 1.120 1050 K CA 0.323 56.536 56.287 -0.123 0.000 1.067 1050 K CB 0.674 33.112 32.500 -0.104 0.000 0.771 1050 K HN -0.066 nan 8.250 nan 0.000 0.481 1051 A N 1.203 123.835 122.820 -0.313 0.000 1.978 1051 A HA -0.053 4.249 4.320 -0.029 0.000 0.220 1051 A C 2.140 179.221 177.584 -0.838 0.000 1.170 1051 A CA 1.941 53.620 52.037 -0.596 0.000 0.636 1051 A CB -0.874 17.656 19.000 -0.784 0.000 0.810 1051 A HN 0.565 nan 8.150 nan 0.000 0.448 1052 G N -0.358 108.039 108.800 -0.671 0.000 2.430 1052 G HA2 -0.052 3.891 3.960 -0.029 0.000 0.216 1052 G HA3 -0.052 3.891 3.960 -0.029 0.000 0.216 1052 G C 1.486 176.177 174.900 -0.348 0.000 1.146 1052 G CA 0.924 45.832 45.100 -0.319 0.000 0.793 1052 G HN 0.479 nan 8.290 nan 0.000 0.537 1053 I N 1.304 121.694 120.570 -0.300 0.000 2.252 1053 I HA -0.076 4.077 4.170 -0.029 0.000 0.245 1053 I C 2.977 178.850 176.117 -0.408 0.000 1.102 1053 I CA 1.032 62.138 61.300 -0.324 0.000 1.385 1053 I CB -0.044 37.849 38.000 -0.179 0.000 1.064 1053 I HN 0.204 nan 8.210 nan 0.000 0.414 1054 A N -1.036 121.605 122.820 -0.299 0.000 2.235 1054 A HA -0.074 4.229 4.320 -0.029 0.000 0.208 1054 A C 0.524 178.041 177.584 -0.112 0.000 1.172 1054 A CA 0.176 52.103 52.037 -0.184 0.000 0.786 1054 A CB -0.713 18.199 19.000 -0.148 0.000 0.804 1054 A HN 0.582 nan 8.150 nan 0.000 0.479 1055 H N -1.779 117.207 119.070 -0.140 0.000 2.692 1055 H HA -0.136 4.405 4.556 -0.025 0.000 0.316 1055 H C 0.225 175.480 175.328 -0.122 0.000 1.176 1055 H CA 1.145 57.132 56.048 -0.102 0.000 1.142 1055 H CB -1.797 27.938 29.762 -0.046 0.000 1.475 1055 H HN 0.536 nan 8.280 nan 0.000 0.423 1056 L N -0.557 120.557 121.223 -0.182 0.000 2.769 1056 L HA 0.185 4.508 4.340 -0.029 0.000 0.240 1056 L C 0.732 177.539 176.870 -0.106 0.000 1.163 1056 L CA 0.057 54.806 54.840 -0.151 0.000 0.962 1056 L CB 0.188 42.128 42.059 -0.197 0.000 1.258 1056 L HN 0.153 nan 8.230 nan 0.000 0.513 1057 Y N 0.014 120.334 120.300 0.033 0.000 2.335 1057 Y HA 0.616 5.150 4.550 -0.027 0.000 0.323 1057 Y C 1.214 177.135 175.900 0.035 0.000 1.224 1057 Y CA -0.094 58.023 58.100 0.028 0.000 1.241 1057 Y CB 1.541 40.017 38.460 0.027 0.000 1.235 1057 Y HN 0.116 nan 8.280 nan 0.000 0.492 1058 G N 1.473 110.401 108.800 0.213 0.000 2.428 1058 G HA2 -0.062 3.880 3.960 -0.029 0.000 0.202 1058 G HA3 -0.062 3.880 3.960 -0.029 0.000 0.202 1058 G C -1.634 173.318 174.900 0.086 0.000 1.247 1058 G CA -0.469 44.702 45.100 0.118 0.000 1.020 1058 G HN 0.807 nan 8.290 nan 0.000 0.529 1059 I N -1.738 118.868 120.570 0.060 0.000 2.957 1059 I HA 0.912 5.064 4.170 -0.029 0.000 0.310 1059 I C 0.994 177.131 176.117 0.035 0.000 1.063 1059 I CA -0.345 60.982 61.300 0.046 0.000 1.033 1059 I CB 1.006 39.028 38.000 0.036 0.000 1.230 1059 I HN 1.720 nan 8.210 nan 0.000 0.447 1060 A N 2.715 125.551 122.820 0.028 0.000 2.044 1060 A HA 0.515 4.818 4.320 -0.029 0.000 0.213 1060 A C 1.263 178.856 177.584 0.015 0.000 1.169 1060 A CA 0.592 52.640 52.037 0.019 0.000 0.724 1060 A CB -0.970 18.040 19.000 0.017 0.000 0.840 1060 A HN 2.151 nan 8.150 nan 0.000 0.463 1061 G N -0.309 108.501 108.800 0.017 0.000 3.450 1061 G HA2 0.365 4.307 3.960 -0.029 0.000 0.668 1061 G HA3 0.365 4.307 3.960 -0.029 0.000 0.668 1061 G C -0.210 174.695 174.900 0.009 0.000 0.941 1061 G CA 0.227 45.336 45.100 0.014 0.000 0.766 1061 G HN 2.225 nan 8.290 nan 0.000 0.451 1062 S N -0.512 115.193 115.700 0.008 0.000 2.843 1062 S HA 0.410 4.862 4.470 -0.029 0.000 0.275 1062 S C -0.579 174.021 174.600 0.001 0.000 0.814 1062 S CA -0.212 57.990 58.200 0.003 0.000 0.912 1062 S CB 0.446 63.647 63.200 0.001 0.000 1.150 1062 S HN 1.673 nan 8.310 nan 0.000 0.502 1063 T N 3.073 117.626 114.554 -0.003 0.000 2.779 1063 T HA 0.363 4.696 4.350 -0.029 0.000 0.296 1063 T C 1.029 175.716 174.700 -0.021 0.000 0.938 1063 T CA 0.160 62.255 62.100 -0.007 0.000 1.119 1063 T CB -0.005 68.860 68.868 -0.005 0.000 0.891 1063 T HN 0.568 nan 8.240 nan 0.000 0.526 1064 N N 1.267 119.949 118.700 -0.031 0.000 2.224 1064 N HA 0.080 4.803 4.740 -0.029 0.000 0.265 1064 N C 1.784 177.239 175.510 -0.092 0.000 1.278 1064 N CA 0.353 53.367 53.050 -0.061 0.000 0.924 1064 N CB -0.047 38.401 38.487 -0.065 0.000 1.006 1064 N HN 0.410 nan 8.380 nan 0.000 0.452 1065 V N -1.382 118.429 119.914 -0.172 0.000 2.284 1065 V HA -0.231 3.871 4.120 -0.029 0.000 0.213 1065 V C 2.108 178.129 176.094 -0.122 0.000 0.958 1065 V CA 2.363 64.519 62.300 -0.240 0.000 1.018 1065 V CB -1.869 29.578 31.823 -0.628 0.000 0.661 1065 V HN 0.890 nan 8.190 nan 0.000 0.482 1066 T N -1.455 113.039 114.554 -0.101 0.000 2.803 1066 T HA 0.249 4.581 4.350 -0.029 0.000 0.269 1066 T C 0.959 175.643 174.700 -0.026 0.000 1.052 1066 T CA 1.284 63.362 62.100 -0.036 0.000 1.136 1066 T CB -0.883 67.977 68.868 -0.013 0.000 0.864 1066 T HN 2.146 nan 8.240 nan 0.000 0.467 1067 G N -0.329 108.452 108.800 -0.032 0.000 2.169 1067 G HA2 0.444 4.387 3.960 -0.029 0.000 0.286 1067 G HA3 0.444 4.387 3.960 -0.029 0.000 0.286 1067 G C -2.316 172.580 174.900 -0.008 0.000 1.742 1067 G CA -0.651 44.440 45.100 -0.015 0.000 0.904 1067 G HN 0.318 nan 8.290 nan 0.000 0.735 1068 D N -0.492 119.905 120.400 -0.005 0.000 2.785 1068 D HA 0.386 5.008 4.640 -0.029 0.000 0.239 1068 D C -0.271 176.034 176.300 0.007 0.000 1.142 1068 D CA -0.474 53.529 54.000 0.006 0.000 0.734 1068 D CB 1.691 42.493 40.800 0.003 0.000 1.820 1068 D HN 0.651 nan 8.370 nan 0.000 0.461 1069 Q N 0.689 120.500 119.800 0.018 0.000 2.373 1069 Q HA 0.527 4.850 4.340 -0.029 0.000 0.255 1069 Q C -1.284 174.727 176.000 0.019 0.000 0.980 1069 Q CA -0.143 55.671 55.803 0.019 0.000 0.882 1069 Q CB 1.192 29.945 28.738 0.026 0.000 1.249 1069 Q HN 0.236 nan 8.270 nan 0.000 0.438 1070 V N 5.642 125.565 119.914 0.016 0.000 2.333 1070 V HA 0.295 4.398 4.120 -0.029 0.000 0.274 1070 V C -0.164 175.946 176.094 0.027 0.000 1.028 1070 V CA -0.681 61.630 62.300 0.018 0.000 0.851 1070 V CB 0.947 32.776 31.823 0.009 0.000 1.000 1070 V HN 0.756 nan 8.190 nan 0.000 0.456 1071 K N 4.059 124.481 120.400 0.036 0.000 2.154 1071 K HA 0.347 4.649 4.320 -0.029 0.000 0.264 1071 K C 0.856 177.481 176.600 0.042 0.000 1.008 1071 K CA -0.540 55.776 56.287 0.048 0.000 0.937 1071 K CB 1.535 34.072 32.500 0.063 0.000 1.002 1071 K HN 0.457 nan 8.250 nan 0.000 0.469 1072 K N 1.030 121.456 120.400 0.044 0.000 2.097 1072 K HA -0.120 4.183 4.320 -0.029 0.000 0.206 1072 K C 2.039 178.651 176.600 0.020 0.000 1.049 1072 K CA 1.208 57.512 56.287 0.028 0.000 0.933 1072 K CB -0.155 32.361 32.500 0.027 0.000 0.717 1072 K HN 0.382 nan 8.250 nan 0.000 0.442 1073 L N 1.135 122.374 121.223 0.027 0.000 2.201 1073 L HA -0.191 4.131 4.340 -0.029 0.000 0.212 1073 L C 1.814 178.699 176.870 0.024 0.000 1.105 1073 L CA 0.853 55.700 54.840 0.012 0.000 0.775 1073 L CB -0.331 41.739 42.059 0.019 0.000 0.913 1073 L HN 0.205 nan 8.230 nan 0.000 0.440 1074 D N -0.358 120.065 120.400 0.038 0.000 2.084 1074 D HA -0.163 4.459 4.640 -0.029 0.000 0.194 1074 D C 2.301 178.622 176.300 0.036 0.000 0.990 1074 D CA 1.241 55.266 54.000 0.042 0.000 0.826 1074 D CB -0.116 40.706 40.800 0.038 0.000 0.971 1074 D HN 0.083 nan 8.370 nan 0.000 0.453 1075 V N 1.325 121.254 119.914 0.025 0.000 2.295 1075 V HA -0.229 3.873 4.120 -0.029 0.000 0.246 1075 V C 2.514 178.619 176.094 0.017 0.000 1.049 1075 V CA 1.261 63.573 62.300 0.020 0.000 1.024 1075 V CB -0.497 31.334 31.823 0.013 0.000 0.648 1075 V HN 0.142 nan 8.190 nan 0.000 0.447 1076 L N 1.196 122.423 121.223 0.008 0.000 1.994 1076 L HA -0.167 4.156 4.340 -0.029 0.000 0.208 1076 L C 2.738 179.607 176.870 -0.001 0.000 1.071 1076 L CA 2.784 57.621 54.840 -0.005 0.000 0.745 1076 L CB -1.079 40.968 42.059 -0.020 0.000 0.892 1076 L HN 0.497 nan 8.230 nan 0.000 0.431 1077 S N -0.649 115.056 115.700 0.009 0.000 2.368 1077 S HA -0.248 4.204 4.470 -0.029 0.000 0.225 1077 S C 1.987 176.614 174.600 0.044 0.000 1.030 1077 S CA 1.409 59.620 58.200 0.019 0.000 0.999 1077 S CB -1.144 62.083 63.200 0.045 0.000 0.844 1077 S HN 0.641 nan 8.310 nan 0.000 0.459 1078 N N 2.235 120.982 118.700 0.078 0.000 2.069 1078 N HA -0.128 4.594 4.740 -0.029 0.000 0.191 1078 N C 1.287 176.846 175.510 0.082 0.000 1.031 1078 N CA 1.937 55.067 53.050 0.134 0.000 0.852 1078 N CB -0.637 37.918 38.487 0.113 0.000 1.018 1078 N HN 0.387 nan 8.380 nan 0.000 0.423 1079 D N 0.141 120.564 120.400 0.038 0.000 2.092 1079 D HA -0.144 4.478 4.640 -0.029 0.000 0.193 1079 D C 2.103 178.393 176.300 -0.018 0.000 0.994 1079 D CA 0.790 54.798 54.000 0.012 0.000 0.828 1079 D CB -0.467 40.334 40.800 0.002 0.000 0.963 1079 D HN 0.295 nan 8.370 nan 0.000 0.450 1080 L N 0.337 121.541 121.223 -0.031 0.000 1.989 1080 L HA -0.188 4.135 4.340 -0.029 0.000 0.211 1080 L C 2.628 179.434 176.870 -0.107 0.000 1.071 1080 L CA 0.836 55.641 54.840 -0.059 0.000 0.749 1080 L CB -0.406 41.621 42.059 -0.053 0.000 0.890 1080 L HN -0.045 nan 8.230 nan 0.000 0.431 1081 V N -0.234 119.591 119.914 -0.149 0.000 2.343 1081 V HA -0.292 3.811 4.120 -0.029 0.000 0.247 1081 V C 2.379 178.278 176.094 -0.326 0.000 1.051 1081 V CA 1.382 63.488 62.300 -0.324 0.000 1.036 1081 V CB -0.375 31.084 31.823 -0.606 0.000 0.654 1081 V HN 0.292 nan 8.190 nan 0.000 0.451 1082 I N 0.671 121.141 120.570 -0.167 0.000 2.179 1082 I HA -0.175 3.978 4.170 -0.029 0.000 0.242 1082 I C 2.346 178.417 176.117 -0.076 0.000 1.088 1082 I CA 1.570 62.836 61.300 -0.056 0.000 1.357 1082 I CB -1.418 36.622 38.000 0.067 0.000 1.051 1082 I HN 0.401 nan 8.210 nan 0.000 0.409 1083 N N 1.051 119.708 118.700 -0.073 0.000 2.120 1083 N HA -0.141 4.581 4.740 -0.029 0.000 0.188 1083 N C 2.016 177.461 175.510 -0.109 0.000 1.024 1083 N CA 1.804 54.806 53.050 -0.080 0.000 0.852 1083 N CB -0.630 37.819 38.487 -0.063 0.000 1.003 1083 N HN 0.448 nan 8.380 nan 0.000 0.424 1084 V N -0.582 119.258 119.914 -0.124 0.000 2.358 1084 V HA -0.086 4.017 4.120 -0.029 0.000 0.246 1084 V C 2.264 178.267 176.094 -0.150 0.000 1.047 1084 V CA 1.145 63.366 62.300 -0.132 0.000 1.035 1084 V CB -0.962 30.781 31.823 -0.134 0.000 0.658 1084 V HN 0.111 nan 8.190 nan 0.000 0.452 1085 L N -0.265 120.857 121.223 -0.169 0.000 2.012 1085 L HA -0.183 4.140 4.340 -0.029 0.000 0.210 1085 L C 2.967 179.763 176.870 -0.123 0.000 1.073 1085 L CA 2.403 57.155 54.840 -0.146 0.000 0.748 1085 L CB -0.695 41.275 42.059 -0.149 0.000 0.891 1085 L HN 0.315 nan 8.230 nan 0.000 0.431 1086 K N 0.021 120.346 120.400 -0.125 0.000 2.032 1086 K HA -0.160 4.143 4.320 -0.029 0.000 0.209 1086 K C 2.156 178.586 176.600 -0.283 0.000 1.048 1086 K CA 1.890 58.087 56.287 -0.150 0.000 0.927 1086 K CB -0.176 32.253 32.500 -0.118 0.000 0.712 1086 K HN 0.369 nan 8.250 nan 0.000 0.441 1087 S N 0.395 115.925 115.700 -0.283 0.000 2.555 1087 S HA -0.065 4.387 4.470 -0.029 0.000 0.230 1087 S C 1.781 176.113 174.600 -0.447 0.000 0.978 1087 S CA 0.951 58.894 58.200 -0.427 0.000 0.934 1087 S CB -0.130 62.929 63.200 -0.235 0.000 0.766 1087 S HN 0.275 nan 8.310 nan 0.000 0.533 1088 S N 1.098 116.651 115.700 -0.245 0.000 2.481 1088 S HA 0.039 4.492 4.470 -0.029 0.000 0.231 1088 S C 0.644 175.303 174.600 0.097 0.000 0.996 1088 S CA 0.081 58.245 58.200 -0.059 0.000 0.942 1088 S CB -1.231 61.945 63.200 -0.040 0.000 0.768 1088 S HN 0.511 nan 8.310 nan 0.000 0.520 1089 F N 0.025 119.979 119.950 0.007 0.000 3.093 1089 F HA -0.257 4.252 4.527 -0.029 0.000 0.287 1089 F C 1.161 176.982 175.800 0.035 0.000 0.882 1089 F CA 0.379 58.389 58.000 0.016 0.000 1.063 1089 F CB -1.888 37.118 39.000 0.010 0.000 1.097 1089 F HN 0.442 nan 8.300 nan 0.000 0.604 1090 A N -1.417 121.498 122.820 0.158 0.000 2.551 1090 A HA 0.473 4.776 4.320 -0.029 0.000 0.252 1090 A C 0.845 178.555 177.584 0.209 0.000 1.199 1090 A CA 0.674 52.831 52.037 0.200 0.000 0.972 1090 A CB 0.313 19.446 19.000 0.222 0.000 1.153 1090 A HN 0.409 nan 8.150 nan 0.000 0.559 1091 T N -3.628 111.003 114.554 0.129 0.000 2.908 1091 T HA 0.474 4.807 4.350 -0.029 0.000 0.290 1091 T C 0.596 175.344 174.700 0.080 0.000 1.034 1091 T CA -0.029 62.146 62.100 0.125 0.000 1.010 1091 T CB 1.430 70.356 68.868 0.097 0.000 1.068 1091 T HN 0.686 nan 8.240 nan 0.000 0.481 1092 C N 0.374 119.721 119.300 0.080 0.000 3.480 1092 C HA 0.642 5.084 4.460 -0.029 0.000 0.480 1092 C C 0.085 175.108 174.990 0.053 0.000 1.410 1092 C CA -0.383 58.666 59.018 0.053 0.000 2.172 1092 C CB -0.632 27.130 27.740 0.037 0.000 3.162 1092 C HN 0.666 nan 8.230 nan 0.000 0.635 1093 V N 2.444 122.402 119.914 0.073 0.000 2.588 1093 V HA 0.584 4.686 4.120 -0.029 0.000 0.304 1093 V C -0.785 175.370 176.094 0.103 0.000 1.042 1093 V CA -0.207 62.134 62.300 0.069 0.000 0.877 1093 V CB 1.844 33.698 31.823 0.051 0.000 0.996 1093 V HN 0.386 nan 8.190 nan 0.000 0.425 1094 L N 4.650 125.932 121.223 0.098 0.000 2.362 1094 L HA 0.735 5.058 4.340 -0.029 0.000 0.275 1094 L C -0.941 175.964 176.870 0.059 0.000 0.998 1094 L CA -0.868 54.064 54.840 0.153 0.000 0.820 1094 L CB 2.215 44.408 42.059 0.224 0.000 1.270 1094 L HN 0.328 nan 8.230 nan 0.000 0.415 1095 V N 1.784 121.696 119.914 -0.004 0.000 2.444 1095 V HA 0.454 4.557 4.120 -0.029 0.000 0.294 1095 V C -0.210 175.557 176.094 -0.546 0.000 1.022 1095 V CA -0.272 61.935 62.300 -0.156 0.000 0.850 1095 V CB 1.952 33.743 31.823 -0.053 0.000 0.992 1095 V HN 0.826 nan 8.190 nan 0.000 0.426 1096 S N 2.737 118.060 115.700 -0.627 0.000 2.513 1096 S HA 0.365 4.818 4.470 -0.029 0.000 0.299 1096 S C 0.870 175.040 174.600 -0.718 0.000 1.087 1096 S CA -0.468 57.104 58.200 -1.048 0.000 1.012 1096 S CB 1.902 64.620 63.200 -0.803 0.000 1.044 1096 S HN 0.884 nan 8.310 nan 0.000 0.485 1097 E N 1.659 121.251 120.200 -1.013 0.000 2.219 1097 E HA -0.174 4.159 4.350 -0.029 0.000 0.198 1097 E C 0.666 177.075 176.600 -0.319 0.000 0.998 1097 E CA 1.322 57.267 56.400 -0.759 0.000 0.818 1097 E CB 0.107 29.496 29.700 -0.518 0.000 0.741 1097 E HN 0.656 nan 8.360 nan 0.000 0.477 1098 E N 0.522 120.579 120.200 -0.239 0.000 2.478 1098 E HA 0.040 4.373 4.350 -0.029 0.000 0.194 1098 E C -0.334 176.212 176.600 -0.091 0.000 1.045 1098 E CA 0.330 56.655 56.400 -0.126 0.000 0.868 1098 E CB 0.295 29.959 29.700 -0.060 0.000 0.885 1098 E HN 0.251 nan 8.360 nan 0.000 0.505 1099 D N 0.856 121.210 120.400 -0.077 0.000 2.391 1099 D HA 0.077 4.700 4.640 -0.029 0.000 0.245 1099 D C 0.877 177.242 176.300 0.107 0.000 1.069 1099 D CA -0.307 53.690 54.000 -0.004 0.000 0.831 1099 D CB 2.333 43.129 40.800 -0.006 0.000 1.204 1099 D HN -0.174 nan 8.370 nan 0.000 0.503 1100 K N 2.085 122.532 120.400 0.078 0.000 2.074 1100 K HA -0.158 4.145 4.320 -0.029 0.000 0.209 1100 K C 0.043 176.764 176.600 0.202 0.000 1.048 1100 K CA 1.200 57.577 56.287 0.151 0.000 0.926 1100 K CB 0.189 32.726 32.500 0.061 0.000 0.713 1100 K HN 0.346 nan 8.250 nan 0.000 0.444 1101 N N -1.098 117.659 118.700 0.094 0.000 2.404 1101 N HA 0.312 5.035 4.740 -0.029 0.000 0.297 1101 N C -1.317 174.200 175.510 0.012 0.000 1.163 1101 N CA -0.421 52.654 53.050 0.042 0.000 0.864 1101 N CB 1.734 40.235 38.487 0.025 0.000 1.247 1101 N HN 0.187 nan 8.380 nan 0.000 0.510 1102 A N 0.999 123.807 122.820 -0.019 0.000 2.466 1102 A HA 0.236 4.539 4.320 -0.029 0.000 0.238 1102 A C -0.232 177.353 177.584 0.002 0.000 1.074 1102 A CA 0.057 52.080 52.037 -0.022 0.000 0.774 1102 A CB -0.046 18.938 19.000 -0.027 0.000 1.015 1102 A HN 0.524 nan 8.150 nan 0.000 0.498 1103 I N 1.921 122.500 120.570 0.016 0.000 2.353 1103 I HA 0.258 4.411 4.170 -0.029 0.000 0.293 1103 I C -0.058 176.077 176.117 0.031 0.000 0.992 1103 I CA -0.246 61.072 61.300 0.029 0.000 1.268 1103 I CB 1.000 39.030 38.000 0.050 0.000 1.387 1103 I HN 0.436 nan 8.210 nan 0.000 0.478 1104 I N 6.629 127.212 120.570 0.023 0.000 2.312 1104 I HA 0.272 4.425 4.170 -0.029 0.000 0.290 1104 I C 0.102 176.230 176.117 0.019 0.000 1.008 1104 I CA -0.809 60.503 61.300 0.021 0.000 1.226 1104 I CB 1.302 39.311 38.000 0.014 0.000 1.371 1104 I HN 0.114 nan 8.210 nan 0.000 0.468 1105 V N 5.545 125.471 119.914 0.021 0.000 2.637 1105 V HA 0.008 4.111 4.120 -0.029 0.000 0.296 1105 V C 0.598 176.697 176.094 0.009 0.000 1.046 1105 V CA -0.607 61.699 62.300 0.010 0.000 1.066 1105 V CB 0.729 32.557 31.823 0.008 0.000 0.968 1105 V HN 0.911 nan 8.190 nan 0.000 0.483 1106 E N 6.267 126.468 120.200 0.002 0.000 2.452 1106 E HA 0.001 4.334 4.350 -0.029 0.000 0.261 1106 E C -2.020 174.593 176.600 0.021 0.000 0.987 1106 E CA -0.814 55.592 56.400 0.009 0.000 0.926 1106 E CB 0.206 29.909 29.700 0.004 0.000 0.934 1106 E HN 0.377 nan 8.360 nan 0.000 0.452 1107 P HA -0.265 nan 4.420 nan 0.000 0.218 1107 P C 0.663 177.997 177.300 0.056 0.000 1.154 1107 P CA 1.508 64.629 63.100 0.035 0.000 0.872 1107 P CB 0.101 31.817 31.700 0.027 0.000 0.790 1108 E N -0.571 119.668 120.200 0.065 0.000 2.204 1108 E HA -0.122 4.211 4.350 -0.029 0.000 0.194 1108 E C 1.241 177.958 176.600 0.194 0.000 0.989 1108 E CA 1.075 57.541 56.400 0.110 0.000 0.824 1108 E CB -0.277 29.487 29.700 0.106 0.000 0.756 1108 E HN 0.368 nan 8.360 nan 0.000 0.477 1109 K N 0.338 120.810 120.400 0.120 0.000 2.372 1109 K HA 0.149 4.451 4.320 -0.029 0.000 0.200 1109 K C 0.270 176.934 176.600 0.107 0.000 1.022 1109 K CA -0.141 56.205 56.287 0.097 0.000 1.125 1109 K CB 0.605 32.982 32.500 -0.204 0.000 0.855 1109 K HN -0.098 nan 8.250 nan 0.000 0.524 1110 R N 0.469 121.032 120.500 0.105 0.000 2.491 1110 R HA 0.215 4.537 4.340 -0.029 0.000 0.283 1110 R C 0.544 176.906 176.300 0.103 0.000 1.072 1110 R CA -0.006 56.141 56.100 0.078 0.000 1.048 1110 R CB 0.902 31.233 30.300 0.051 0.000 0.983 1110 R HN 0.153 nan 8.270 nan 0.000 0.450 1111 G N 0.608 109.460 108.800 0.086 0.000 3.016 1111 G HA2 0.240 4.182 3.960 -0.029 0.000 0.270 1111 G HA3 0.240 4.182 3.960 -0.029 0.000 0.270 1111 G C -0.071 174.827 174.900 -0.002 0.000 1.352 1111 G CA -0.700 44.441 45.100 0.068 0.000 1.060 1111 G HN 0.623 nan 8.290 nan 0.000 0.538 1112 K N -1.378 118.950 120.400 -0.120 0.000 2.374 1112 K HA 0.281 4.584 4.320 -0.029 0.000 0.196 1112 K C -0.814 175.624 176.600 -0.269 0.000 1.023 1112 K CA -0.049 56.099 56.287 -0.231 0.000 1.103 1112 K CB 0.105 32.389 32.500 -0.359 0.000 0.848 1112 K HN 0.310 nan 8.250 nan 0.000 0.528 1113 Y N 0.626 120.956 120.300 0.051 0.000 2.420 1113 Y HA 0.386 4.919 4.550 -0.028 0.000 0.334 1113 Y C -0.093 175.855 175.900 0.080 0.000 1.094 1113 Y CA -1.394 56.745 58.100 0.064 0.000 1.126 1113 Y CB 1.841 40.329 38.460 0.048 0.000 1.217 1113 Y HN -0.304 nan 8.280 nan 0.000 0.462 1114 V N 3.770 123.866 119.914 0.304 0.000 2.398 1114 V HA 0.501 4.604 4.120 -0.029 0.000 0.286 1114 V C -0.673 175.596 176.094 0.290 0.000 1.026 1114 V CA -0.819 61.633 62.300 0.252 0.000 0.868 1114 V CB 1.328 33.287 31.823 0.226 0.000 0.982 1114 V HN 0.511 nan 8.190 nan 0.000 0.443 1115 V N 3.869 123.937 119.914 0.256 0.000 2.483 1115 V HA 0.376 4.478 4.120 -0.029 0.000 0.297 1115 V C -0.248 176.053 176.094 0.345 0.000 1.027 1115 V CA -0.507 61.963 62.300 0.283 0.000 0.855 1115 V CB 1.745 33.707 31.823 0.231 0.000 0.995 1115 V HN 0.964 nan 8.190 nan 0.000 0.424 1116 C N 6.432 125.940 119.300 0.345 0.000 2.295 1116 C HA 0.862 5.305 4.460 -0.029 0.000 0.331 1116 C C -0.119 175.092 174.990 0.370 0.000 1.280 1116 C CA -0.752 58.440 59.018 0.289 0.000 1.746 1116 C CB -0.642 27.294 27.740 0.327 0.000 2.328 1116 C HN 0.834 nan 8.230 nan 0.000 0.521 1117 F N 0.204 120.251 119.950 0.161 0.000 2.662 1117 F HA 0.654 5.165 4.527 -0.027 0.000 0.312 1117 F C -0.926 174.885 175.800 0.019 0.000 1.113 1117 F CA -1.124 56.971 58.000 0.159 0.000 0.951 1117 F CB 1.037 40.119 39.000 0.137 0.000 1.344 1117 F HN 0.283 nan 8.300 nan 0.000 0.462 1118 D N 2.822 123.395 120.400 0.289 0.000 2.460 1118 D HA 0.371 4.994 4.640 -0.029 0.000 0.232 1118 D C -1.846 174.644 176.300 0.317 0.000 1.079 1118 D CA -2.542 51.563 54.000 0.174 0.000 0.864 1118 D CB 1.864 42.808 40.800 0.240 0.000 1.048 1118 D HN 0.253 nan 8.370 nan 0.000 0.523 1119 P HA -0.047 nan 4.420 nan 0.000 0.220 1119 P C 0.209 177.646 177.300 0.229 0.000 1.148 1119 P CA 0.364 63.660 63.100 0.326 0.000 0.803 1119 P CB 0.738 32.610 31.700 0.286 0.000 0.782 1120 L N -0.493 120.845 121.223 0.192 0.000 2.661 1120 L HA 0.456 4.778 4.340 -0.029 0.000 0.263 1120 L C -1.672 175.288 176.870 0.151 0.000 0.956 1120 L CA -0.679 54.273 54.840 0.187 0.000 0.918 1120 L CB 1.929 44.072 42.059 0.141 0.000 1.280 1120 L HN -0.335 nan 8.230 nan 0.000 0.416 1121 D N 3.090 123.580 120.400 0.150 0.000 2.252 1121 D HA 0.765 5.388 4.640 -0.029 0.000 0.245 1121 D C 0.562 176.915 176.300 0.087 0.000 1.009 1121 D CA 0.703 54.767 54.000 0.108 0.000 0.870 1121 D CB 1.766 42.622 40.800 0.094 0.000 1.251 1121 D HN 0.912 nan 8.370 nan 0.000 0.460 1122 G N 1.570 110.414 108.800 0.074 0.000 2.237 1122 G HA2 -0.213 3.730 3.960 -0.029 0.000 0.153 1122 G HA3 -0.213 3.730 3.960 -0.029 0.000 0.153 1122 G C 1.053 175.994 174.900 0.068 0.000 1.039 1122 G CA 0.215 45.351 45.100 0.060 0.000 0.719 1122 G HN 0.415 nan 8.290 nan 0.000 0.491 1123 S N 0.467 116.212 115.700 0.074 0.000 2.372 1123 S HA -0.238 4.214 4.470 -0.029 0.000 0.227 1123 S C 2.746 177.382 174.600 0.060 0.000 1.044 1123 S CA 2.614 60.856 58.200 0.069 0.000 1.050 1123 S CB -0.291 62.949 63.200 0.066 0.000 0.901 1123 S HN 1.726 nan 8.310 nan 0.000 0.447 1124 S N 1.682 117.420 115.700 0.063 0.000 2.442 1124 S HA -0.030 4.423 4.470 -0.029 0.000 0.236 1124 S C 1.307 175.927 174.600 0.034 0.000 1.007 1124 S CA 0.973 59.206 58.200 0.055 0.000 0.965 1124 S CB -0.299 62.948 63.200 0.077 0.000 0.773 1124 S HN 0.384 nan 8.310 nan 0.000 0.504 1125 N N 0.485 119.205 118.700 0.033 0.000 2.280 1125 N HA 0.258 4.981 4.740 -0.029 0.000 0.192 1125 N C 0.727 176.243 175.510 0.010 0.000 1.109 1125 N CA 0.067 53.127 53.050 0.015 0.000 0.855 1125 N CB -0.027 38.469 38.487 0.015 0.000 0.974 1125 N HN 0.336 nan 8.380 nan 0.000 0.482 1126 I N 1.216 121.800 120.570 0.023 0.000 2.163 1126 I HA -0.172 3.981 4.170 -0.029 0.000 0.240 1126 I C 1.596 177.663 176.117 -0.082 0.000 1.081 1126 I CA 1.270 62.596 61.300 0.043 0.000 1.353 1126 I CB -0.542 37.519 38.000 0.102 0.000 1.054 1126 I HN -0.043 nan 8.210 nan 0.000 0.407 1127 D N -0.295 120.004 120.400 -0.169 0.000 2.312 1127 D HA -0.082 4.540 4.640 -0.029 0.000 0.211 1127 D C 1.875 177.956 176.300 -0.365 0.000 0.964 1127 D CA 1.043 54.796 54.000 -0.413 0.000 0.877 1127 D CB -0.178 40.483 40.800 -0.232 0.000 0.924 1127 D HN 0.515 nan 8.370 nan 0.000 0.515 1128 C N -0.825 118.365 119.300 -0.183 0.000 2.780 1128 C HA 0.434 4.876 4.460 -0.029 0.000 0.287 1128 C C 1.055 175.994 174.990 -0.084 0.000 1.288 1128 C CA -0.682 58.263 59.018 -0.121 0.000 1.713 1128 C CB -1.240 26.462 27.740 -0.063 0.000 1.955 1128 C HN 0.157 nan 8.230 nan 0.000 0.613 1129 L N -0.190 120.980 121.223 -0.088 0.000 4.232 1129 L HA -0.163 4.160 4.340 -0.029 0.000 0.415 1129 L C 0.529 177.409 176.870 0.017 0.000 1.168 1129 L CA 0.631 55.467 54.840 -0.007 0.000 0.966 1129 L CB -2.313 39.749 42.059 0.005 0.000 2.052 1129 L HN 0.469 nan 8.230 nan 0.000 0.887 1130 V N -0.891 119.027 119.914 0.008 0.000 3.003 1130 V HA 0.277 4.380 4.120 -0.029 0.000 0.305 1130 V C 1.382 177.497 176.094 0.035 0.000 1.078 1130 V CA -0.226 62.083 62.300 0.016 0.000 1.083 1130 V CB 1.489 33.313 31.823 0.002 0.000 1.039 1130 V HN 0.334 nan 8.190 nan 0.000 0.481 1131 S N 3.596 119.314 115.700 0.030 0.000 2.573 1131 S HA 0.214 4.667 4.470 -0.029 0.000 0.297 1131 S C -0.087 174.545 174.600 0.053 0.000 1.280 1131 S CA 0.167 58.393 58.200 0.044 0.000 1.061 1131 S CB -0.418 62.785 63.200 0.005 0.000 0.812 1131 S HN 0.565 nan 8.310 nan 0.000 0.500 1132 I N -0.696 119.946 120.570 0.120 0.000 3.322 1132 I HA 1.057 5.210 4.170 -0.029 0.000 0.313 1132 I C 0.264 176.496 176.117 0.191 0.000 1.129 1132 I CA -1.245 60.144 61.300 0.147 0.000 0.963 1132 I CB 2.057 40.167 38.000 0.184 0.000 1.273 1132 I HN 0.648 nan 8.210 nan 0.000 0.473 1133 G N -0.016 108.895 108.800 0.185 0.000 2.606 1133 G HA2 0.612 4.555 3.960 -0.029 0.000 0.300 1133 G HA3 0.612 4.555 3.960 -0.029 0.000 0.300 1133 G C -1.757 173.243 174.900 0.166 0.000 1.360 1133 G CA -0.530 44.576 45.100 0.011 0.000 0.783 1133 G HN 0.649 nan 8.290 nan 0.000 0.484 1134 T N 0.505 115.115 114.554 0.094 0.000 2.824 1134 T HA 0.652 4.985 4.350 -0.029 0.000 0.282 1134 T C -0.469 174.378 174.700 0.246 0.000 0.993 1134 T CA -0.109 62.128 62.100 0.228 0.000 0.967 1134 T CB 1.203 70.239 68.868 0.281 0.000 0.960 1134 T HN 0.434 nan 8.240 nan 0.000 0.441 1135 I N 4.062 124.798 120.570 0.276 0.000 2.509 1135 I HA 0.715 4.868 4.170 -0.029 0.000 0.293 1135 I C -0.937 175.382 176.117 0.336 0.000 1.020 1135 I CA -1.136 60.297 61.300 0.222 0.000 1.088 1135 I CB 1.608 39.691 38.000 0.138 0.000 1.267 1135 I HN 0.651 nan 8.210 nan 0.000 0.430 1136 F N 2.541 122.579 119.950 0.147 0.000 2.631 1136 F HA 0.938 5.447 4.527 -0.030 0.000 0.308 1136 F C -0.463 175.366 175.800 0.048 0.000 1.097 1136 F CA -0.958 57.124 58.000 0.136 0.000 0.952 1136 F CB 1.588 40.630 39.000 0.070 0.000 1.307 1136 F HN 0.432 nan 8.300 nan 0.000 0.450 1137 G N 2.541 111.446 108.800 0.176 0.000 2.662 1137 G HA2 0.679 4.622 3.960 -0.029 0.000 0.302 1137 G HA3 0.679 4.622 3.960 -0.029 0.000 0.302 1137 G C -2.115 172.751 174.900 -0.057 0.000 1.389 1137 G CA -0.847 44.213 45.100 -0.067 0.000 0.998 1137 G HN 0.511 nan 8.290 nan 0.000 0.502 1138 I N 1.567 121.988 120.570 -0.249 0.000 2.436 1138 I HA 0.452 4.605 4.170 -0.029 0.000 0.289 1138 I C -1.003 174.924 176.117 -0.318 0.000 1.010 1138 I CA -1.930 59.273 61.300 -0.162 0.000 1.098 1138 I CB 1.074 38.983 38.000 -0.150 0.000 1.266 1138 I HN 0.396 nan 8.210 nan 0.000 0.434 1139 Y N 3.927 124.286 120.300 0.097 0.000 2.468 1139 Y HA 0.571 5.104 4.550 -0.028 0.000 0.342 1139 Y C 0.717 176.758 175.900 0.235 0.000 1.021 1139 Y CA -0.781 57.387 58.100 0.114 0.000 1.079 1139 Y CB 1.625 40.126 38.460 0.068 0.000 1.226 1139 Y HN 0.427 nan 8.280 nan 0.000 0.460 1140 R N 2.216 122.927 120.500 0.351 0.000 2.441 1140 R HA 0.215 4.538 4.340 -0.029 0.000 0.284 1140 R C -0.369 175.999 176.300 0.114 0.000 1.070 1140 R CA -0.719 55.492 56.100 0.186 0.000 1.047 1140 R CB 0.654 31.011 30.300 0.094 0.000 1.016 1140 R HN 0.684 nan 8.270 nan 0.000 0.477 1141 K N 3.115 123.533 120.400 0.029 0.000 2.379 1141 K HA 0.013 4.315 4.320 -0.029 0.000 0.284 1141 K C -0.137 176.464 176.600 0.001 0.000 1.044 1141 K CA -0.003 56.294 56.287 0.017 0.000 0.974 1141 K CB 0.550 33.048 32.500 -0.003 0.000 0.962 1141 K HN 0.637 nan 8.250 nan 0.000 0.474 1142 N N 1.576 120.279 118.700 0.005 0.000 2.273 1142 N HA -0.019 4.704 4.740 -0.029 0.000 0.192 1142 N C -0.131 175.376 175.510 -0.005 0.000 1.132 1142 N CA -0.013 53.039 53.050 0.002 0.000 0.887 1142 N CB 0.478 38.971 38.487 0.011 0.000 1.048 1142 N HN 0.487 nan 8.380 nan 0.000 0.490 1143 S N 0.593 116.287 115.700 -0.009 0.000 2.633 1143 S HA 0.229 4.681 4.470 -0.029 0.000 0.257 1143 S C 1.407 176.002 174.600 -0.010 0.000 1.265 1143 S CA 0.060 58.254 58.200 -0.010 0.000 0.980 1143 S CB 0.672 63.865 63.200 -0.012 0.000 1.017 1143 S HN 0.357 nan 8.310 nan 0.000 0.577 1144 T N -3.408 111.141 114.554 -0.009 0.000 3.009 1144 T HA 0.195 4.527 4.350 -0.029 0.000 0.267 1144 T C -0.327 174.369 174.700 -0.007 0.000 0.942 1144 T CA -0.147 61.948 62.100 -0.008 0.000 0.883 1144 T CB -0.558 68.306 68.868 -0.007 0.000 1.192 1144 T HN 0.627 nan 8.240 nan 0.000 0.524 1145 D N 1.716 122.112 120.400 -0.006 0.000 2.398 1145 D HA 0.270 4.892 4.640 -0.029 0.000 0.247 1145 D C 0.133 176.431 176.300 -0.004 0.000 1.227 1145 D CA -0.654 53.343 54.000 -0.005 0.000 0.980 1145 D CB 0.317 41.114 40.800 -0.006 0.000 1.106 1145 D HN -0.060 nan 8.370 nan 0.000 0.493 1146 E N 0.849 121.048 120.200 -0.002 0.000 2.502 1146 E HA 0.054 4.387 4.350 -0.029 0.000 0.261 1146 E C -1.825 174.775 176.600 -0.000 0.000 0.974 1146 E CA -0.980 55.420 56.400 -0.000 0.000 0.936 1146 E CB -0.421 29.279 29.700 0.001 0.000 0.926 1146 E HN 0.364 nan 8.360 nan 0.000 0.459 1147 P HA -0.071 nan 4.420 nan 0.000 0.264 1147 P C -0.345 176.956 177.300 0.002 0.000 1.183 1147 P CA 0.378 63.480 63.100 0.004 0.000 0.763 1147 P CB 0.613 32.321 31.700 0.012 0.000 0.807 1148 S N 0.048 115.747 115.700 -0.002 0.000 2.643 1148 S HA 0.187 4.640 4.470 -0.029 0.000 0.270 1148 S C 0.978 175.570 174.600 -0.014 0.000 1.166 1148 S CA -0.710 57.486 58.200 -0.007 0.000 0.815 1148 S CB 1.341 64.535 63.200 -0.010 0.000 1.139 1148 S HN 0.377 nan 8.310 nan 0.000 0.472 1149 E N 0.925 121.114 120.200 -0.019 0.000 2.147 1149 E HA -0.199 4.133 4.350 -0.029 0.000 0.199 1149 E C 1.448 178.021 176.600 -0.046 0.000 1.005 1149 E CA 1.762 58.143 56.400 -0.032 0.000 0.810 1149 E CB -0.205 29.475 29.700 -0.035 0.000 0.736 1149 E HN 0.609 nan 8.360 nan 0.000 0.460 1150 K N 0.366 120.741 120.400 -0.041 0.000 2.211 1150 K HA -0.170 4.133 4.320 -0.029 0.000 0.204 1150 K C 1.466 178.027 176.600 -0.064 0.000 1.047 1150 K CA 1.233 57.490 56.287 -0.050 0.000 0.935 1150 K CB -0.080 32.397 32.500 -0.037 0.000 0.728 1150 K HN 0.240 nan 8.250 nan 0.000 0.452 1151 D N 1.066 121.435 120.400 -0.051 0.000 2.264 1151 D HA -0.083 4.540 4.640 -0.029 0.000 0.208 1151 D C 1.679 177.918 176.300 -0.102 0.000 0.966 1151 D CA 0.917 54.884 54.000 -0.055 0.000 0.864 1151 D CB 0.156 40.946 40.800 -0.018 0.000 0.933 1151 D HN 0.277 nan 8.370 nan 0.000 0.499 1152 A N 0.327 123.085 122.820 -0.103 0.000 2.132 1152 A HA 0.080 4.383 4.320 -0.029 0.000 0.213 1152 A C 1.505 178.952 177.584 -0.228 0.000 1.154 1152 A CA -0.053 51.895 52.037 -0.147 0.000 0.753 1152 A CB -0.145 18.816 19.000 -0.065 0.000 0.826 1152 A HN 0.137 nan 8.150 nan 0.000 0.469 1153 L N 1.635 122.753 121.223 -0.175 0.000 2.533 1153 L HA 0.141 4.464 4.340 -0.029 0.000 0.239 1153 L C -0.247 176.503 176.870 -0.200 0.000 1.376 1153 L CA -0.057 54.684 54.840 -0.165 0.000 1.240 1153 L CB -0.578 41.417 42.059 -0.106 0.000 1.487 1153 L HN 0.438 nan 8.230 nan 0.000 0.419 1154 Q N 1.904 121.500 119.800 -0.339 0.000 2.301 1154 Q HA 0.486 4.808 4.340 -0.029 0.000 0.267 1154 Q C -2.345 173.524 176.000 -0.218 0.000 1.035 1154 Q CA -2.182 53.428 55.803 -0.322 0.000 0.856 1154 Q CB 2.063 30.493 28.738 -0.514 0.000 1.337 1154 Q HN 0.098 nan 8.270 nan 0.000 0.450 1155 P HA -0.052 nan 4.420 nan 0.000 0.268 1155 P C 0.430 177.825 177.300 0.159 0.000 1.205 1155 P CA 0.221 63.338 63.100 0.029 0.000 0.771 1155 P CB 0.682 32.405 31.700 0.039 0.000 0.858 1156 G N 3.344 112.255 108.800 0.186 0.000 2.485 1156 G HA2 -0.266 3.677 3.960 -0.029 0.000 0.221 1156 G HA3 -0.266 3.677 3.960 -0.029 0.000 0.221 1156 G C 1.537 176.574 174.900 0.227 0.000 1.115 1156 G CA 0.169 45.419 45.100 0.250 0.000 0.751 1156 G HN 0.437 nan 8.290 nan 0.000 0.567 1157 R N 0.367 120.979 120.500 0.187 0.000 2.211 1157 R HA -0.067 4.256 4.340 -0.029 0.000 0.240 1157 R C 1.433 177.848 176.300 0.190 0.000 1.144 1157 R CA 1.018 57.223 56.100 0.176 0.000 0.992 1157 R CB -0.372 29.998 30.300 0.118 0.000 0.869 1157 R HN 0.303 nan 8.270 nan 0.000 0.462 1158 N N 0.237 119.075 118.700 0.231 0.000 2.398 1158 N HA 0.064 4.786 4.740 -0.029 0.000 0.188 1158 N C 0.239 175.881 175.510 0.219 0.000 1.122 1158 N CA 0.084 53.282 53.050 0.246 0.000 0.866 1158 N CB 0.127 38.770 38.487 0.260 0.000 0.970 1158 N HN 0.111 nan 8.380 nan 0.000 0.462 1159 L N 0.377 121.605 121.223 0.010 0.000 2.490 1159 L HA -0.018 4.304 4.340 -0.029 0.000 0.274 1159 L C 1.311 177.952 176.870 -0.381 0.000 1.201 1159 L CA -0.017 54.506 54.840 -0.529 0.000 0.869 1159 L CB 0.970 42.495 42.059 -0.891 0.000 1.123 1159 L HN -0.049 nan 8.230 nan 0.000 0.484 1160 V N 3.040 122.746 119.914 -0.348 0.000 3.431 1160 V HA 0.311 4.414 4.120 -0.029 0.000 0.253 1160 V C 0.476 176.471 176.094 -0.166 0.000 1.184 1160 V CA 0.901 63.125 62.300 -0.126 0.000 1.104 1160 V CB 0.824 32.661 31.823 0.024 0.000 0.799 1160 V HN 0.839 nan 8.190 nan 0.000 0.462 1161 A N -0.548 122.060 122.820 -0.353 0.000 2.577 1161 A HA 0.893 5.196 4.320 -0.029 0.000 0.297 1161 A C -0.953 176.450 177.584 -0.302 0.000 1.060 1161 A CA 0.224 52.133 52.037 -0.213 0.000 0.697 1161 A CB 1.540 20.488 19.000 -0.087 0.000 1.281 1161 A HN 0.683 nan 8.150 nan 0.000 0.402 1162 A N 0.360 123.059 122.820 -0.201 0.000 2.606 1162 A HA 1.045 5.347 4.320 -0.029 0.000 0.293 1162 A C -0.012 177.295 177.584 -0.461 0.000 1.082 1162 A CA 0.102 51.938 52.037 -0.336 0.000 0.685 1162 A CB 1.256 20.063 19.000 -0.322 0.000 1.284 1162 A HN 2.742 nan 8.150 nan 0.000 0.408 1163 G N -0.987 107.140 108.800 -1.122 0.000 2.364 1163 G HA2 0.684 4.627 3.960 -0.029 0.000 0.286 1163 G HA3 0.684 4.627 3.960 -0.029 0.000 0.286 1163 G C -1.542 172.813 174.900 -0.909 0.000 1.241 1163 G CA 0.398 44.954 45.100 -0.907 0.000 0.887 1163 G HN 2.221 nan 8.290 nan 0.000 0.484 1164 Y N -2.438 117.603 120.300 -0.431 0.000 2.604 1164 Y HA 0.816 5.348 4.550 -0.030 0.000 0.331 1164 Y C -0.349 175.520 175.900 -0.051 0.000 1.158 1164 Y CA -1.277 56.730 58.100 -0.156 0.000 1.056 1164 Y CB 1.183 39.547 38.460 -0.160 0.000 1.330 1164 Y HN 1.320 nan 8.280 nan 0.000 0.457 1165 A N 2.645 125.511 122.820 0.077 0.000 2.288 1165 A HA 0.677 4.979 4.320 -0.029 0.000 0.320 1165 A C -1.699 175.653 177.584 -0.388 0.000 1.217 1165 A CA -0.657 51.270 52.037 -0.183 0.000 0.840 1165 A CB 0.983 19.842 19.000 -0.235 0.000 1.179 1165 A HN 0.853 nan 8.150 nan 0.000 0.504 1166 L N 3.460 124.496 121.223 -0.311 0.000 2.265 1166 L HA 0.562 4.884 4.340 -0.029 0.000 0.289 1166 L C -1.457 175.206 176.870 -0.344 0.000 1.033 1166 L CA -0.264 54.398 54.840 -0.296 0.000 0.814 1166 L CB 0.308 42.264 42.059 -0.173 0.000 1.203 1166 L HN 0.569 nan 8.230 nan 0.000 0.423 1167 Y N 5.332 125.659 120.300 0.044 0.000 2.821 1167 Y HA 0.617 5.148 4.550 -0.031 0.000 0.331 1167 Y C 0.974 176.885 175.900 0.019 0.000 1.251 1167 Y CA -0.252 57.871 58.100 0.039 0.000 1.494 1167 Y CB 0.116 38.605 38.460 0.048 0.000 1.493 1167 Y HN 0.700 nan 8.280 nan 0.000 0.496 1168 G N 0.300 109.151 108.800 0.086 0.000 3.019 1168 G HA2 0.202 4.145 3.960 -0.029 0.000 0.152 1168 G HA3 0.202 4.145 3.960 -0.029 0.000 0.152 1168 G C 0.973 175.904 174.900 0.051 0.000 1.320 1168 G CA -0.087 45.039 45.100 0.045 0.000 1.013 1168 G HN 0.386 nan 8.290 nan 0.000 0.593 1169 S N -0.741 114.977 115.700 0.031 0.000 2.399 1169 S HA 0.307 4.760 4.470 -0.029 0.000 0.231 1169 S C 1.057 175.676 174.600 0.033 0.000 1.022 1169 S CA 1.172 59.391 58.200 0.032 0.000 0.983 1169 S CB -0.296 62.921 63.200 0.028 0.000 0.803 1169 S HN 1.203 nan 8.310 nan 0.000 0.480 1170 A N 0.476 123.313 122.820 0.028 0.000 2.430 1170 A HA 0.713 5.016 4.320 -0.029 0.000 0.300 1170 A C -0.380 177.228 177.584 0.041 0.000 1.124 1170 A CA -0.705 51.349 52.037 0.030 0.000 0.766 1170 A CB 1.186 20.197 19.000 0.018 0.000 1.328 1170 A HN 0.175 nan 8.150 nan 0.000 0.424 1171 T N 1.520 116.114 114.554 0.065 0.000 2.744 1171 T HA 0.531 4.864 4.350 -0.029 0.000 0.291 1171 T C -0.464 174.296 174.700 0.099 0.000 0.957 1171 T CA 0.223 62.389 62.100 0.109 0.000 1.002 1171 T CB 0.387 69.381 68.868 0.209 0.000 0.919 1171 T HN 0.558 nan 8.240 nan 0.000 0.468 1172 M N 4.609 124.226 119.600 0.029 0.000 2.395 1172 M HA 0.538 5.000 4.480 -0.029 0.000 0.307 1172 M C -1.715 174.573 176.300 -0.019 0.000 1.091 1172 M CA -1.062 54.244 55.300 0.011 0.000 0.919 1172 M CB 1.531 34.041 32.600 -0.151 0.000 1.662 1172 M HN 0.363 nan 8.290 nan 0.000 0.440 1173 L N 6.262 127.508 121.223 0.038 0.000 2.280 1173 L HA 0.638 4.961 4.340 -0.029 0.000 0.287 1173 L C -1.624 175.181 176.870 -0.107 0.000 1.023 1173 L CA -0.539 54.224 54.840 -0.128 0.000 0.819 1173 L CB 1.308 43.130 42.059 -0.395 0.000 1.212 1173 L HN 0.578 nan 8.230 nan 0.000 0.420 1174 V N 6.502 126.191 119.914 -0.374 0.000 2.370 1174 V HA 0.414 4.516 4.120 -0.029 0.000 0.283 1174 V C -0.271 175.633 176.094 -0.317 0.000 1.023 1174 V CA -0.666 61.378 62.300 -0.428 0.000 0.857 1174 V CB 1.908 33.232 31.823 -0.832 0.000 0.985 1174 V HN 0.601 nan 8.190 nan 0.000 0.443 1175 L N 5.334 126.514 121.223 -0.071 0.000 2.376 1175 L HA 0.921 5.244 4.340 -0.029 0.000 0.275 1175 L C -0.068 176.834 176.870 0.052 0.000 0.987 1175 L CA -0.303 54.557 54.840 0.034 0.000 0.828 1175 L CB 1.477 43.633 42.059 0.163 0.000 1.249 1175 L HN 0.704 nan 8.230 nan 0.000 0.409 1176 A N 6.385 129.247 122.820 0.069 0.000 2.330 1176 A HA 0.924 5.226 4.320 -0.029 0.000 0.327 1176 A C -0.613 177.145 177.584 0.290 0.000 1.155 1176 A CA -0.545 51.583 52.037 0.151 0.000 0.803 1176 A CB 0.952 20.050 19.000 0.162 0.000 1.208 1176 A HN 0.817 nan 8.150 nan 0.000 0.477 1177 M N 1.375 121.120 119.600 0.242 0.000 2.846 1177 M HA 0.282 4.744 4.480 -0.029 0.000 0.282 1177 M C 1.063 177.485 176.300 0.203 0.000 1.266 1177 M CA -0.678 54.778 55.300 0.261 0.000 0.766 1177 M CB 1.606 34.309 32.600 0.171 0.000 1.739 1177 M HN 0.437 nan 8.290 nan 0.000 0.442 1178 V N 0.996 121.023 119.914 0.189 0.000 2.453 1178 V HA -0.259 3.844 4.120 -0.029 0.000 0.252 1178 V C 1.014 177.142 176.094 0.057 0.000 1.068 1178 V CA 2.540 64.916 62.300 0.126 0.000 1.070 1178 V CB -0.608 31.283 31.823 0.114 0.000 0.664 1178 V HN 0.821 nan 8.190 nan 0.000 0.461 1179 N N -0.448 118.292 118.700 0.067 0.000 2.280 1179 N HA 0.438 5.160 4.740 -0.029 0.000 0.192 1179 N C 0.277 175.809 175.510 0.036 0.000 1.109 1179 N CA 0.460 53.537 53.050 0.044 0.000 0.855 1179 N CB 0.812 39.330 38.487 0.051 0.000 0.974 1179 N HN 0.647 nan 8.380 nan 0.000 0.482 1180 G N -0.413 108.404 108.800 0.029 0.000 2.369 1180 G HA2 0.047 3.990 3.960 -0.029 0.000 0.295 1180 G HA3 0.047 3.990 3.960 -0.029 0.000 0.295 1180 G C -1.798 173.117 174.900 0.025 0.000 1.298 1180 G CA -0.945 44.160 45.100 0.008 0.000 0.940 1180 G HN -0.085 nan 8.290 nan 0.000 0.536 1181 V N 1.629 121.540 119.914 -0.005 0.000 2.483 1181 V HA 0.677 4.780 4.120 -0.029 0.000 0.295 1181 V C -0.263 175.789 176.094 -0.070 0.000 1.035 1181 V CA -0.932 61.353 62.300 -0.026 0.000 0.896 1181 V CB 1.605 33.400 31.823 -0.047 0.000 0.986 1181 V HN 0.690 nan 8.190 nan 0.000 0.447 1182 N N 1.926 120.551 118.700 -0.125 0.000 2.242 1182 N HA 0.532 5.254 4.740 -0.029 0.000 0.292 1182 N C -1.463 173.778 175.510 -0.448 0.000 1.125 1182 N CA -0.387 52.451 53.050 -0.353 0.000 0.783 1182 N CB 2.315 40.434 38.487 -0.613 0.000 1.558 1182 N HN 0.575 nan 8.380 nan 0.000 0.472 1183 C N 1.428 120.395 119.300 -0.556 0.000 2.382 1183 C HA 0.643 5.086 4.460 -0.029 0.000 0.327 1183 C C -0.544 174.039 174.990 -0.679 0.000 1.250 1183 C CA -0.769 57.999 59.018 -0.415 0.000 1.707 1183 C CB -0.922 26.721 27.740 -0.162 0.000 2.272 1183 C HN 0.558 nan 8.230 nan 0.000 0.506 1184 F N 2.597 122.491 119.950 -0.094 0.000 2.477 1184 F HA 0.564 5.071 4.527 -0.032 0.000 0.335 1184 F C 0.183 176.048 175.800 0.107 0.000 1.130 1184 F CA -0.631 57.366 58.000 -0.006 0.000 0.948 1184 F CB 1.185 40.192 39.000 0.012 0.000 1.154 1184 F HN 0.488 nan 8.300 nan 0.000 0.439 1185 M N 4.555 124.286 119.600 0.217 0.000 2.300 1185 M HA 0.504 4.967 4.480 -0.029 0.000 0.348 1185 M C -1.164 175.197 176.300 0.101 0.000 1.151 1185 M CA -1.194 54.201 55.300 0.158 0.000 1.046 1185 M CB 1.234 33.868 32.600 0.057 0.000 1.647 1185 M HN 0.609 nan 8.290 nan 0.000 0.451 1186 L N 4.995 126.219 121.223 0.000 0.000 2.500 1186 L HA 0.164 4.486 4.340 -0.029 0.000 0.272 1186 L C -0.540 176.217 176.870 -0.188 0.000 1.149 1186 L CA 0.702 55.335 54.840 -0.345 0.000 0.897 1186 L CB 0.125 41.943 42.059 -0.400 0.000 1.178 1186 L HN 0.622 nan 8.230 nan 0.000 0.473 1187 D N 7.509 127.794 120.400 -0.192 0.000 2.393 1187 D HA 0.208 4.831 4.640 -0.029 0.000 0.232 1187 D C -1.857 174.366 176.300 -0.129 0.000 1.192 1187 D CA -1.942 51.990 54.000 -0.113 0.000 0.882 1187 D CB 1.596 42.351 40.800 -0.075 0.000 1.038 1187 D HN 0.397 nan 8.370 nan 0.000 0.499 1188 P HA -0.060 nan 4.420 nan 0.000 0.225 1188 P C 0.865 178.123 177.300 -0.071 0.000 1.148 1188 P CA 0.727 63.775 63.100 -0.087 0.000 0.779 1188 P CB 0.315 31.981 31.700 -0.056 0.000 0.780 1189 A N 0.135 122.919 122.820 -0.059 0.000 1.897 1189 A HA -0.079 4.224 4.320 -0.029 0.000 0.215 1189 A C 1.929 179.485 177.584 -0.047 0.000 1.181 1189 A CA 1.509 53.520 52.037 -0.044 0.000 0.620 1189 A CB -1.171 17.809 19.000 -0.033 0.000 0.821 1189 A HN 0.352 nan 8.150 nan 0.000 0.443 1190 I N -5.219 115.317 120.570 -0.057 0.000 4.082 1190 I HA 0.508 4.661 4.170 -0.029 0.000 0.337 1190 I C 1.014 177.088 176.117 -0.071 0.000 1.352 1190 I CA 0.347 61.617 61.300 -0.051 0.000 1.097 1190 I CB 0.112 38.089 38.000 -0.038 0.000 1.048 1190 I HN 0.324 nan 8.210 nan 0.000 0.393 1191 G N 2.053 110.788 108.800 -0.107 0.000 2.314 1191 G HA2 -0.203 3.739 3.960 -0.029 0.000 0.292 1191 G HA3 -0.203 3.739 3.960 -0.029 0.000 0.292 1191 G C -0.365 174.435 174.900 -0.166 0.000 1.059 1191 G CA 0.187 45.200 45.100 -0.145 0.000 0.982 1191 G HN 0.571 nan 8.290 nan 0.000 0.505 1192 E N -0.984 119.094 120.200 -0.204 0.000 2.266 1192 E HA 0.537 4.870 4.350 -0.029 0.000 0.268 1192 E C -0.511 175.920 176.600 -0.282 0.000 0.879 1192 E CA -0.960 55.344 56.400 -0.161 0.000 0.762 1192 E CB 1.225 30.898 29.700 -0.045 0.000 1.199 1192 E HN 0.118 nan 8.360 nan 0.000 0.422 1193 F N 2.227 122.175 119.950 -0.002 0.000 2.413 1193 F HA 0.244 4.767 4.527 -0.007 0.000 0.359 1193 F C 0.507 176.373 175.800 0.110 0.000 1.122 1193 F CA -0.429 57.591 58.000 0.034 0.000 1.160 1193 F CB 0.517 39.496 39.000 -0.035 0.000 1.146 1193 F HN 0.122 nan 8.300 nan 0.000 0.514 1194 I N 4.853 125.587 120.570 0.274 0.000 2.412 1194 I HA 0.191 4.344 4.170 -0.029 0.000 0.296 1194 I C -0.153 176.120 176.117 0.259 0.000 0.987 1194 I CA -1.104 60.341 61.300 0.241 0.000 1.180 1194 I CB 1.420 39.483 38.000 0.106 0.000 1.340 1194 I HN 0.355 nan 8.210 nan 0.000 0.455 1195 L N 7.828 129.187 121.223 0.226 0.000 2.513 1195 L HA 0.068 4.390 4.340 -0.029 0.000 0.272 1195 L C 0.754 177.523 176.870 -0.169 0.000 1.187 1195 L CA 0.695 55.404 54.840 -0.217 0.000 0.895 1195 L CB 0.637 42.555 42.059 -0.236 0.000 1.147 1195 L HN 0.538 nan 8.230 nan 0.000 0.483 1196 V N -0.640 119.128 119.914 -0.243 0.000 3.497 1196 V HA 0.497 4.599 4.120 -0.029 0.000 0.272 1196 V C -0.248 175.762 176.094 -0.140 0.000 1.474 1196 V CA -0.012 62.211 62.300 -0.127 0.000 1.025 1196 V CB 0.316 32.099 31.823 -0.067 0.000 0.820 1196 V HN 0.732 nan 8.190 nan 0.000 0.437 1197 D N 1.590 121.851 120.400 -0.231 0.000 2.855 1197 D HA 0.425 5.048 4.640 -0.029 0.000 0.241 1197 D C -1.031 175.121 176.300 -0.248 0.000 1.277 1197 D CA -0.144 53.749 54.000 -0.178 0.000 0.918 1197 D CB 2.812 43.537 40.800 -0.125 0.000 1.462 1197 D HN 0.238 nan 8.370 nan 0.000 0.559 1198 R N 1.677 122.085 120.500 -0.153 0.000 2.460 1198 R HA 0.216 4.539 4.340 -0.029 0.000 0.303 1198 R C -0.559 175.706 176.300 -0.058 0.000 0.968 1198 R CA -0.225 55.798 56.100 -0.129 0.000 0.889 1198 R CB 0.814 31.105 30.300 -0.014 0.000 1.123 1198 R HN 0.286 nan 8.270 nan 0.000 0.455 1199 D N 2.317 122.697 120.400 -0.033 0.000 2.735 1199 D HA -0.140 4.483 4.640 -0.029 0.000 0.235 1199 D C -0.889 175.395 176.300 -0.027 0.000 1.175 1199 D CA 0.570 54.568 54.000 -0.002 0.000 0.683 1199 D CB -0.511 40.307 40.800 0.030 0.000 1.008 1199 D HN 0.221 nan 8.370 nan 0.000 0.416 1200 V N 2.451 122.335 119.914 -0.051 0.000 2.655 1200 V HA 0.108 4.211 4.120 -0.029 0.000 0.300 1200 V C 0.986 177.058 176.094 -0.036 0.000 1.044 1200 V CA 0.355 62.626 62.300 -0.049 0.000 1.095 1200 V CB 1.306 33.090 31.823 -0.066 0.000 0.952 1200 V HN 0.106 nan 8.190 nan 0.000 0.485 1201 K N 4.749 125.132 120.400 -0.027 0.000 2.397 1201 K HA 0.521 4.824 4.320 -0.029 0.000 0.253 1201 K C -0.529 176.061 176.600 -0.017 0.000 0.932 1201 K CA -0.736 55.539 56.287 -0.021 0.000 0.795 1201 K CB 2.921 35.413 32.500 -0.013 0.000 1.159 1201 K HN 0.617 nan 8.250 nan 0.000 0.424 1202 I N 2.157 122.719 120.570 -0.014 0.000 2.575 1202 I HA 0.024 4.176 4.170 -0.029 0.000 0.285 1202 I C 0.308 176.429 176.117 0.007 0.000 1.085 1202 I CA -0.129 61.168 61.300 -0.004 0.000 1.403 1202 I CB 0.605 38.606 38.000 0.000 0.000 1.409 1202 I HN 0.380 nan 8.210 nan 0.000 0.557 1203 K N 6.063 126.472 120.400 0.015 0.000 2.440 1203 K HA -0.012 4.291 4.320 -0.029 0.000 0.270 1203 K C 0.889 177.505 176.600 0.026 0.000 0.980 1203 K CA -0.320 55.978 56.287 0.018 0.000 0.953 1203 K CB 0.452 32.963 32.500 0.019 0.000 0.925 1203 K HN 0.486 nan 8.250 nan 0.000 0.497 1204 K N 1.766 122.181 120.400 0.026 0.000 2.097 1204 K HA -0.097 4.206 4.320 -0.029 0.000 0.206 1204 K C 0.433 177.065 176.600 0.053 0.000 1.049 1204 K CA 1.408 57.716 56.287 0.034 0.000 0.933 1204 K CB 0.035 32.553 32.500 0.029 0.000 0.717 1204 K HN 0.421 nan 8.250 nan 0.000 0.442 1205 K N -0.422 120.010 120.400 0.052 0.000 2.525 1205 K HA 0.374 4.677 4.320 -0.029 0.000 0.254 1205 K C -0.574 176.049 176.600 0.038 0.000 0.934 1205 K CA -0.421 55.911 56.287 0.076 0.000 0.802 1205 K CB 2.062 34.614 32.500 0.086 0.000 1.295 1205 K HN 0.088 nan 8.250 nan 0.000 0.433 1206 G N -0.147 108.676 108.800 0.038 0.000 2.971 1206 G HA2 0.409 4.352 3.960 -0.029 0.000 0.235 1206 G HA3 0.409 4.352 3.960 -0.029 0.000 0.235 1206 G C -0.315 174.380 174.900 -0.341 0.000 1.351 1206 G CA -0.443 44.620 45.100 -0.062 0.000 1.039 1206 G HN 0.579 nan 8.290 nan 0.000 0.563 1207 S N -1.368 114.063 115.700 -0.449 0.000 3.101 1207 S HA 0.405 4.858 4.470 -0.029 0.000 0.252 1207 S C -0.558 173.717 174.600 -0.541 0.000 0.920 1207 S CA -0.248 57.407 58.200 -0.908 0.000 1.158 1207 S CB -0.142 62.772 63.200 -0.476 0.000 1.125 1207 S HN 0.292 nan 8.310 nan 0.000 0.608 1208 I N 2.559 123.013 120.570 -0.195 0.000 2.582 1208 I HA 0.603 4.756 4.170 -0.029 0.000 0.292 1208 I C -0.785 175.561 176.117 0.383 0.000 1.066 1208 I CA -1.103 60.265 61.300 0.115 0.000 1.053 1208 I CB 1.640 39.697 38.000 0.095 0.000 1.241 1208 I HN 0.398 nan 8.210 nan 0.000 0.421 1209 Y N 2.607 123.082 120.300 0.293 0.000 2.485 1209 Y HA 0.866 5.399 4.550 -0.028 0.000 0.345 1209 Y C -0.462 175.566 175.900 0.214 0.000 0.998 1209 Y CA -1.368 56.897 58.100 0.274 0.000 1.059 1209 Y CB 1.926 40.522 38.460 0.226 0.000 1.234 1209 Y HN 0.469 nan 8.280 nan 0.000 0.461 1210 S N 4.707 120.552 115.700 0.243 0.000 2.756 1210 S HA 0.779 5.232 4.470 -0.029 0.000 0.303 1210 S C -1.844 172.860 174.600 0.174 0.000 1.135 1210 S CA -0.382 57.956 58.200 0.230 0.000 1.066 1210 S CB 0.219 63.674 63.200 0.425 0.000 1.008 1210 S HN 0.720 nan 8.310 nan 0.000 0.482 1211 I N 4.026 124.595 120.570 -0.003 0.000 2.882 1211 I HA 0.459 4.611 4.170 -0.029 0.000 0.298 1211 I C -1.497 174.134 176.117 -0.809 0.000 1.462 1211 I CA -0.852 60.243 61.300 -0.341 0.000 1.000 1211 I CB 2.130 40.046 38.000 -0.141 0.000 1.340 1211 I HN 0.649 nan 8.210 nan 0.000 0.462 1212 N N 4.761 122.859 118.700 -1.004 0.000 2.482 1212 N HA 0.173 4.896 4.740 -0.029 0.000 0.242 1212 N C 0.404 175.804 175.510 -0.183 0.000 1.100 1212 N CA 0.236 52.825 53.050 -0.769 0.000 0.946 1212 N CB 0.356 38.501 38.487 -0.571 0.000 1.227 1212 N HN 0.551 nan 8.380 nan 0.000 0.508 1213 E N 1.490 121.631 120.200 -0.097 0.000 2.515 1213 E HA -0.073 4.260 4.350 -0.029 0.000 0.201 1213 E C 1.266 177.772 176.600 -0.156 0.000 1.071 1213 E CA 0.267 56.701 56.400 0.057 0.000 0.880 1213 E CB 0.137 29.893 29.700 0.095 0.000 0.828 1213 E HN 0.679 nan 8.360 nan 0.000 0.540 1214 G N 0.065 108.685 108.800 -0.299 0.000 2.679 1214 G HA2 -0.194 3.749 3.960 -0.029 0.000 0.212 1214 G HA3 -0.194 3.749 3.960 -0.029 0.000 0.212 1214 G C 0.704 175.284 174.900 -0.533 0.000 1.137 1214 G CA 0.205 45.069 45.100 -0.395 0.000 0.787 1214 G HN 0.245 nan 8.290 nan 0.000 0.534 1215 Y N 0.168 120.175 120.300 -0.489 0.000 2.485 1215 Y HA 0.459 4.991 4.550 -0.029 0.000 0.260 1215 Y C 2.432 177.570 175.900 -1.270 0.000 1.173 1215 Y CA -0.733 56.936 58.100 -0.719 0.000 1.252 1215 Y CB -0.006 38.089 38.460 -0.609 0.000 1.123 1215 Y HN 0.190 nan 8.280 nan 0.000 0.524 1216 A N 0.757 122.995 122.820 -0.970 0.000 1.971 1216 A HA -0.341 3.962 4.320 -0.029 0.000 0.222 1216 A C 2.331 179.711 177.584 -0.339 0.000 1.182 1216 A CA 2.294 53.946 52.037 -0.642 0.000 0.649 1216 A CB -0.478 18.423 19.000 -0.166 0.000 0.818 1216 A HN 0.458 nan 8.150 nan 0.000 0.458 1217 K N -0.753 119.493 120.400 -0.257 0.000 2.211 1217 K HA -0.130 4.173 4.320 -0.029 0.000 0.203 1217 K C 1.083 177.624 176.600 -0.098 0.000 1.050 1217 K CA 1.428 57.640 56.287 -0.125 0.000 0.945 1217 K CB -0.003 32.442 32.500 -0.091 0.000 0.732 1217 K HN 0.491 nan 8.250 nan 0.000 0.451 1218 E N -0.076 120.032 120.200 -0.154 0.000 2.474 1218 E HA 0.021 4.353 4.350 -0.029 0.000 0.195 1218 E C -0.135 176.493 176.600 0.047 0.000 1.039 1218 E CA -0.043 56.325 56.400 -0.055 0.000 0.881 1218 E CB 0.137 29.811 29.700 -0.043 0.000 0.970 1218 E HN 0.084 nan 8.360 nan 0.000 0.486 1219 F N 3.224 123.175 119.950 0.001 0.000 2.506 1219 F HA 0.022 4.532 4.527 -0.029 0.000 0.351 1219 F C 1.202 176.972 175.800 -0.050 0.000 1.136 1219 F CA -1.442 56.541 58.000 -0.027 0.000 1.298 1219 F CB 0.069 39.047 39.000 -0.036 0.000 1.145 1219 F HN -0.079 nan 8.300 nan 0.000 0.593 1220 D N 2.956 123.434 120.400 0.130 0.000 2.358 1220 D HA 0.179 4.802 4.640 -0.029 0.000 0.244 1220 D C -2.152 174.066 176.300 -0.136 0.000 1.163 1220 D CA -1.608 52.385 54.000 -0.012 0.000 0.945 1220 D CB 0.238 41.026 40.800 -0.019 0.000 1.152 1220 D HN 0.157 nan 8.370 nan 0.000 0.451 1221 P HA -0.056 nan 4.420 nan 0.000 0.226 1221 P C 0.934 177.861 177.300 -0.622 0.000 1.153 1221 P CA 1.180 64.079 63.100 -0.334 0.000 0.777 1221 P CB -0.040 31.477 31.700 -0.304 0.000 0.794 1222 A N -0.089 122.266 122.820 -0.775 0.000 1.897 1222 A HA -0.094 4.208 4.320 -0.029 0.000 0.215 1222 A C 2.218 179.462 177.584 -0.566 0.000 1.181 1222 A CA 1.083 52.594 52.037 -0.876 0.000 0.620 1222 A CB -1.455 16.726 19.000 -1.365 0.000 0.821 1222 A HN 0.093 nan 8.150 nan 0.000 0.443 1223 I N -0.250 120.014 120.570 -0.509 0.000 2.179 1223 I HA -0.230 3.922 4.170 -0.029 0.000 0.242 1223 I C 2.626 178.590 176.117 -0.255 0.000 1.088 1223 I CA 1.786 62.860 61.300 -0.376 0.000 1.357 1223 I CB -0.537 37.160 38.000 -0.506 0.000 1.051 1223 I HN 0.245 nan 8.210 nan 0.000 0.409 1224 T N -0.191 114.255 114.554 -0.180 0.000 2.665 1224 T HA -0.294 4.038 4.350 -0.029 0.000 0.268 1224 T C 1.836 176.482 174.700 -0.090 0.000 1.035 1224 T CA 1.910 63.972 62.100 -0.063 0.000 1.151 1224 T CB -0.323 68.532 68.868 -0.022 0.000 0.862 1224 T HN 0.467 nan 8.240 nan 0.000 0.438 1225 E N -0.491 119.635 120.200 -0.123 0.000 2.150 1225 E HA -0.160 4.173 4.350 -0.029 0.000 0.193 1225 E C 1.993 178.548 176.600 -0.075 0.000 0.985 1225 E CA 0.737 57.092 56.400 -0.076 0.000 0.814 1225 E CB -0.174 29.506 29.700 -0.035 0.000 0.752 1225 E HN 0.648 nan 8.360 nan 0.000 0.466 1226 Y N 0.860 121.031 120.300 -0.215 0.000 2.220 1226 Y HA -0.097 4.435 4.550 -0.029 0.000 0.291 1226 Y C 1.861 177.586 175.900 -0.292 0.000 1.129 1226 Y CA 1.490 59.451 58.100 -0.232 0.000 1.161 1226 Y CB -0.086 38.230 38.460 -0.240 0.000 0.997 1226 Y HN 0.012 nan 8.280 nan 0.000 0.522 1227 I N 0.036 120.404 120.570 -0.338 0.000 2.226 1227 I HA -0.301 3.851 4.170 -0.029 0.000 0.245 1227 I C 2.424 178.311 176.117 -0.384 0.000 1.100 1227 I CA 1.648 62.655 61.300 -0.489 0.000 1.374 1227 I CB -0.414 37.440 38.000 -0.245 0.000 1.057 1227 I HN 0.233 nan 8.210 nan 0.000 0.413 1228 Q N 1.295 120.982 119.800 -0.188 0.000 2.096 1228 Q HA -0.241 4.082 4.340 -0.029 0.000 0.204 1228 Q C 2.246 178.211 176.000 -0.058 0.000 0.982 1228 Q CA 1.743 57.521 55.803 -0.042 0.000 0.850 1228 Q CB -0.279 28.436 28.738 -0.037 0.000 0.901 1228 Q HN 0.259 nan 8.270 nan 0.000 0.422 1229 R N -0.617 119.759 120.500 -0.207 0.000 2.148 1229 R HA -0.083 4.240 4.340 -0.029 0.000 0.227 1229 R C 1.581 177.653 176.300 -0.379 0.000 1.103 1229 R CA 1.120 57.077 56.100 -0.239 0.000 0.983 1229 R CB 0.128 30.266 30.300 -0.270 0.000 0.874 1229 R HN 0.083 nan 8.270 nan 0.000 0.451 1230 K N 0.469 120.501 120.400 -0.613 0.000 2.155 1230 K HA -0.090 4.213 4.320 -0.029 0.000 0.203 1230 K C 1.753 178.141 176.600 -0.353 0.000 1.052 1230 K CA 1.247 57.124 56.287 -0.684 0.000 0.948 1230 K CB 0.061 31.942 32.500 -1.031 0.000 0.728 1230 K HN 0.249 nan 8.250 nan 0.000 0.448 1231 K N -0.441 119.784 120.400 -0.291 0.000 2.137 1231 K HA 0.058 4.361 4.320 -0.029 0.000 0.202 1231 K C 0.192 176.464 176.600 -0.547 0.000 1.052 1231 K CA 0.622 56.706 56.287 -0.338 0.000 0.961 1231 K CB 0.182 32.510 32.500 -0.287 0.000 0.741 1231 K HN -0.032 nan 8.250 nan 0.000 0.452 1232 F N 1.542 121.424 119.950 -0.113 0.000 2.550 1232 F HA 0.301 4.811 4.527 -0.028 0.000 0.348 1232 F C -2.535 173.210 175.800 -0.090 0.000 1.219 1232 F CA -2.859 55.094 58.000 -0.078 0.000 1.203 1232 F CB 0.826 39.786 39.000 -0.066 0.000 1.436 1232 F HN -0.293 nan 8.300 nan 0.000 0.541 1233 P HA 0.004 nan 4.420 nan 0.000 0.262 1233 P C -1.627 175.684 177.300 0.019 0.000 1.199 1233 P CA -0.801 62.291 63.100 -0.013 0.000 0.763 1233 P CB 0.463 32.158 31.700 -0.009 0.000 0.790 1234 P HA -0.178 nan 4.420 nan 0.000 0.218 1234 P C 0.584 177.891 177.300 0.012 0.000 1.148 1234 P CA 1.535 64.640 63.100 0.009 0.000 0.822 1234 P CB 0.001 31.699 31.700 -0.004 0.000 0.784 1235 D N -1.180 119.226 120.400 0.011 0.000 2.336 1235 D HA -0.026 4.597 4.640 -0.029 0.000 0.228 1235 D C 0.070 176.380 176.300 0.018 0.000 1.120 1235 D CA -0.505 53.504 54.000 0.014 0.000 0.839 1235 D CB -1.501 39.309 40.800 0.016 0.000 0.932 1235 D HN 0.187 nan 8.370 nan 0.000 0.509 1236 N N -0.586 118.126 118.700 0.021 0.000 2.828 1236 N HA -0.219 4.504 4.740 -0.029 0.000 0.248 1236 N C -0.262 175.259 175.510 0.020 0.000 1.044 1236 N CA 0.688 53.750 53.050 0.021 0.000 0.851 1236 N CB -1.386 37.111 38.487 0.018 0.000 1.136 1236 N HN 0.466 nan 8.380 nan 0.000 0.572 1237 S N -0.146 115.569 115.700 0.025 0.000 2.624 1237 S HA 0.629 5.082 4.470 -0.029 0.000 0.263 1237 S C 0.722 175.343 174.600 0.034 0.000 1.287 1237 S CA -0.393 57.827 58.200 0.034 0.000 0.990 1237 S CB 1.464 64.696 63.200 0.053 0.000 0.950 1237 S HN 0.405 nan 8.310 nan 0.000 0.561 1238 A N 1.836 124.679 122.820 0.038 0.000 2.477 1238 A HA 0.510 4.813 4.320 -0.029 0.000 0.246 1238 A C -2.198 175.430 177.584 0.073 0.000 1.078 1238 A CA -1.216 50.840 52.037 0.033 0.000 0.770 1238 A CB -1.119 17.892 19.000 0.018 0.000 1.011 1238 A HN 0.715 nan 8.150 nan 0.000 0.494 1239 P HA 0.088 nan 4.420 nan 0.000 0.267 1239 P C -0.581 176.841 177.300 0.203 0.000 1.200 1239 P CA 0.228 63.363 63.100 0.058 0.000 0.772 1239 P CB 0.146 31.812 31.700 -0.056 0.000 0.855 1240 Y N 0.729 121.031 120.300 0.004 0.000 2.457 1240 Y HA 0.320 4.853 4.550 -0.029 0.000 0.341 1240 Y C 1.682 177.657 175.900 0.126 0.000 1.240 1240 Y CA -0.147 58.007 58.100 0.091 0.000 1.437 1240 Y CB -0.317 38.252 38.460 0.182 0.000 1.328 1240 Y HN 0.378 nan 8.280 nan 0.000 0.588 1241 G N 0.591 109.496 108.800 0.176 0.000 2.503 1241 G HA2 0.506 4.448 3.960 -0.029 0.000 0.257 1241 G HA3 0.506 4.448 3.960 -0.029 0.000 0.257 1241 G C -0.966 173.955 174.900 0.034 0.000 1.214 1241 G CA -0.227 44.929 45.100 0.092 0.000 0.839 1241 G HN 0.805 nan 8.290 nan 0.000 0.559 1242 A N 1.656 124.406 122.820 -0.116 0.000 2.324 1242 A HA 0.897 5.200 4.320 -0.029 0.000 0.330 1242 A C -0.006 177.473 177.584 -0.175 0.000 1.165 1242 A CA -0.754 51.032 52.037 -0.418 0.000 0.813 1242 A CB 1.211 19.898 19.000 -0.521 0.000 1.197 1242 A HN 0.565 nan 8.150 nan 0.000 0.484 1243 R N 0.696 121.114 120.500 -0.138 0.000 2.522 1243 R HA 0.324 4.647 4.340 -0.029 0.000 0.283 1243 R C -2.382 173.999 176.300 0.135 0.000 1.074 1243 R CA -0.381 55.727 56.100 0.015 0.000 0.925 1243 R CB 1.597 31.926 30.300 0.048 0.000 1.205 1243 R HN 0.770 nan 8.270 nan 0.000 0.436 1244 Y N 2.392 122.690 120.300 -0.002 0.000 2.359 1244 Y HA 0.169 4.703 4.550 -0.027 0.000 0.336 1244 Y C 0.567 176.503 175.900 0.061 0.000 1.098 1244 Y CA -0.447 57.687 58.100 0.057 0.000 1.272 1244 Y CB 1.090 39.577 38.460 0.045 0.000 1.112 1244 Y HN 0.361 nan 8.280 nan 0.000 0.481 1245 V N 3.558 123.387 119.914 -0.143 0.000 2.515 1245 V HA -0.027 4.076 4.120 -0.029 0.000 0.250 1245 V C 1.787 177.750 176.094 -0.219 0.000 1.058 1245 V CA 2.319 64.540 62.300 -0.132 0.000 1.064 1245 V CB -0.737 31.020 31.823 -0.109 0.000 0.675 1245 V HN 1.184 nan 8.190 nan 0.000 0.461 1246 G N -0.489 107.990 108.800 -0.535 0.000 2.194 1246 G HA2 -0.222 3.720 3.960 -0.029 0.000 0.236 1246 G HA3 -0.222 3.720 3.960 -0.029 0.000 0.236 1246 G C 0.319 175.120 174.900 -0.165 0.000 0.987 1246 G CA 0.215 45.086 45.100 -0.382 0.000 0.635 1246 G HN 0.511 nan 8.290 nan 0.000 0.520 1247 S N 0.401 116.003 115.700 -0.163 0.000 2.456 1247 S HA 0.563 5.015 4.470 -0.029 0.000 0.316 1247 S C 1.097 175.609 174.600 -0.147 0.000 1.089 1247 S CA 0.117 58.263 58.200 -0.090 0.000 1.101 1247 S CB 1.487 64.650 63.200 -0.062 0.000 0.995 1247 S HN 0.404 nan 8.310 nan 0.000 0.468 1248 M N 4.279 123.813 119.600 -0.109 0.000 2.202 1248 M HA -0.075 4.388 4.480 -0.029 0.000 0.262 1248 M C 1.794 177.849 176.300 -0.407 0.000 1.063 1248 M CA 1.831 56.973 55.300 -0.264 0.000 1.097 1248 M CB -0.185 32.336 32.600 -0.132 0.000 1.382 1248 M HN 0.572 nan 8.290 nan 0.000 0.413 1249 V N 0.736 120.464 119.914 -0.309 0.000 2.343 1249 V HA -0.195 3.908 4.120 -0.029 0.000 0.247 1249 V C 2.336 178.203 176.094 -0.377 0.000 1.051 1249 V CA 2.130 64.169 62.300 -0.435 0.000 1.036 1249 V CB -0.825 30.816 31.823 -0.303 0.000 0.654 1249 V HN 0.596 nan 8.190 nan 0.000 0.451 1250 A N -0.611 122.067 122.820 -0.238 0.000 1.898 1250 A HA -0.199 4.104 4.320 -0.029 0.000 0.216 1250 A C 2.033 179.510 177.584 -0.178 0.000 1.181 1250 A CA 1.848 53.789 52.037 -0.161 0.000 0.620 1250 A CB -0.720 18.213 19.000 -0.112 0.000 0.819 1250 A HN 0.632 nan 8.150 nan 0.000 0.442 1251 D N -0.305 119.941 120.400 -0.257 0.000 2.117 1251 D HA -0.079 4.544 4.640 -0.029 0.000 0.198 1251 D C 2.119 178.237 176.300 -0.302 0.000 0.982 1251 D CA 1.451 55.313 54.000 -0.230 0.000 0.828 1251 D CB -0.170 40.507 40.800 -0.204 0.000 0.967 1251 D HN 0.231 nan 8.370 nan 0.000 0.464 1252 V N 0.563 120.175 119.914 -0.504 0.000 2.379 1252 V HA -0.220 3.882 4.120 -0.029 0.000 0.245 1252 V C 2.323 178.268 176.094 -0.248 0.000 1.044 1252 V CA 1.551 63.598 62.300 -0.423 0.000 1.036 1252 V CB -0.596 30.915 31.823 -0.520 0.000 0.664 1252 V HN 0.202 nan 8.190 nan 0.000 0.453 1253 H N 0.683 119.555 119.070 -0.331 0.000 2.352 1253 H HA -0.175 4.365 4.556 -0.026 0.000 0.299 1253 H C 2.472 177.701 175.328 -0.165 0.000 1.097 1253 H CA 2.262 58.221 56.048 -0.148 0.000 1.311 1253 H CB -0.097 29.622 29.762 -0.072 0.000 1.377 1253 H HN 0.227 nan 8.280 nan 0.000 0.504 1254 R N -0.473 119.901 120.500 -0.211 0.000 2.096 1254 R HA -0.114 4.209 4.340 -0.029 0.000 0.235 1254 R C 1.710 177.849 176.300 -0.269 0.000 1.127 1254 R CA 1.787 57.669 56.100 -0.363 0.000 0.968 1254 R CB -0.238 29.899 30.300 -0.271 0.000 0.861 1254 R HN 0.375 nan 8.270 nan 0.000 0.440 1255 T N 1.877 116.347 114.554 -0.141 0.000 2.788 1255 T HA -0.156 4.177 4.350 -0.029 0.000 0.268 1255 T C 1.679 176.341 174.700 -0.063 0.000 1.044 1255 T CA 1.212 63.291 62.100 -0.036 0.000 1.139 1255 T CB -0.215 68.668 68.868 0.024 0.000 0.867 1255 T HN 0.176 nan 8.240 nan 0.000 0.454 1256 L N 2.168 123.305 121.223 -0.143 0.000 1.994 1256 L HA -0.049 4.274 4.340 -0.029 0.000 0.208 1256 L C 2.477 179.259 176.870 -0.146 0.000 1.071 1256 L CA 1.766 56.524 54.840 -0.138 0.000 0.745 1256 L CB -0.654 41.303 42.059 -0.170 0.000 0.892 1256 L HN 0.283 nan 8.230 nan 0.000 0.431 1257 V N -4.431 115.330 119.914 -0.255 0.000 3.354 1257 V HA -0.022 4.080 4.120 -0.029 0.000 0.258 1257 V C 1.719 177.877 176.094 0.107 0.000 1.159 1257 V CA 0.849 63.065 62.300 -0.142 0.000 1.125 1257 V CB -0.908 30.758 31.823 -0.262 0.000 0.774 1257 V HN 0.534 nan 8.190 nan 0.000 0.464 1258 Y N 1.408 121.659 120.300 -0.082 0.000 2.445 1258 Y HA 0.579 5.112 4.550 -0.029 0.000 0.247 1258 Y C 1.572 177.447 175.900 -0.040 0.000 1.129 1258 Y CA -0.201 57.868 58.100 -0.052 0.000 1.251 1258 Y CB 0.889 39.324 38.460 -0.041 0.000 1.176 1258 Y HN 0.513 nan 8.280 nan 0.000 0.522 1259 G N 0.704 109.570 108.800 0.110 0.000 2.795 1259 G HA2 0.181 4.124 3.960 -0.029 0.000 0.664 1259 G HA3 0.181 4.124 3.960 -0.029 0.000 0.664 1259 G C 0.028 174.985 174.900 0.096 0.000 1.381 1259 G CA -0.498 44.648 45.100 0.076 0.000 0.853 1259 G HN 1.002 nan 8.290 nan 0.000 0.545 1260 G N -1.390 107.476 108.800 0.111 0.000 2.384 1260 G HA2 0.487 4.430 3.960 -0.029 0.000 0.204 1260 G HA3 0.487 4.430 3.960 -0.029 0.000 0.204 1260 G C -0.809 174.224 174.900 0.223 0.000 1.237 1260 G CA 0.373 45.580 45.100 0.178 0.000 1.060 1260 G HN 2.369 nan 8.290 nan 0.000 0.514 1261 I N -0.661 120.083 120.570 0.291 0.000 2.802 1261 I HA 0.840 4.993 4.170 -0.029 0.000 0.298 1261 I C -1.479 174.837 176.117 0.332 0.000 1.176 1261 I CA -1.284 60.186 61.300 0.282 0.000 1.025 1261 I CB 1.946 40.114 38.000 0.279 0.000 1.243 1261 I HN 0.951 nan 8.210 nan 0.000 0.424 1262 F N 7.764 127.800 119.950 0.144 0.000 2.507 1262 F HA 0.825 5.336 4.527 -0.027 0.000 0.325 1262 F C -1.459 174.425 175.800 0.140 0.000 1.116 1262 F CA -0.609 57.482 58.000 0.152 0.000 0.930 1262 F CB 1.572 40.640 39.000 0.112 0.000 1.146 1262 F HN 0.329 nan 8.300 nan 0.000 0.447 1263 M N 6.914 126.078 119.600 -0.727 0.000 2.326 1263 M HA 0.296 4.759 4.480 -0.029 0.000 0.292 1263 M C -1.955 173.994 176.300 -0.584 0.000 1.081 1263 M CA -0.598 54.408 55.300 -0.489 0.000 0.919 1263 M CB 2.398 34.850 32.600 -0.247 0.000 1.634 1263 M HN 0.602 nan 8.290 nan 0.000 0.451 1264 Y N 4.224 124.308 120.300 -0.360 0.000 2.662 1264 Y HA 0.430 4.962 4.550 -0.029 0.000 0.358 1264 Y C -2.581 173.278 175.900 -0.070 0.000 1.041 1264 Y CA -2.076 55.943 58.100 -0.134 0.000 1.184 1264 Y CB 0.895 39.355 38.460 0.001 0.000 1.114 1264 Y HN 0.339 nan 8.280 nan 0.000 0.650 1265 P HA 0.324 nan 4.420 nan 0.000 0.276 1265 P C -0.474 176.899 177.300 0.122 0.000 1.261 1265 P CA -0.372 62.764 63.100 0.061 0.000 0.800 1265 P CB 1.217 32.899 31.700 -0.029 0.000 1.066 1266 A N 1.704 124.576 122.820 0.086 0.000 2.445 1266 A HA 0.397 4.700 4.320 -0.029 0.000 0.242 1266 A C 0.453 178.100 177.584 0.105 0.000 1.075 1266 A CA 0.110 52.195 52.037 0.081 0.000 0.777 1266 A CB -0.908 18.123 19.000 0.052 0.000 1.013 1266 A HN 0.802 nan 8.150 nan 0.000 0.493 1267 N N -0.094 118.655 118.700 0.082 0.000 2.902 1267 N HA 0.319 5.041 4.740 -0.029 0.000 0.268 1267 N C -0.077 175.463 175.510 0.049 0.000 1.450 1267 N CA -0.839 52.267 53.050 0.093 0.000 0.819 1267 N CB 0.699 39.241 38.487 0.093 0.000 1.540 1267 N HN 0.370 nan 8.380 nan 0.000 0.545 1268 K N -0.745 119.680 120.400 0.042 0.000 2.360 1268 K HA -0.118 4.184 4.320 -0.029 0.000 0.201 1268 K C 0.346 176.956 176.600 0.016 0.000 1.046 1268 K CA 1.454 57.757 56.287 0.027 0.000 0.945 1268 K CB -0.230 32.283 32.500 0.022 0.000 0.750 1268 K HN 0.595 nan 8.250 nan 0.000 0.464 1269 K N -0.854 119.549 120.400 0.006 0.000 2.360 1269 K HA 0.156 4.458 4.320 -0.029 0.000 0.196 1269 K C 0.130 176.730 176.600 0.000 0.000 1.049 1269 K CA 0.014 56.303 56.287 0.003 0.000 1.049 1269 K CB 1.035 33.537 32.500 0.003 0.000 0.881 1269 K HN -0.214 nan 8.250 nan 0.000 0.542 1270 S N 2.287 117.987 115.700 -0.000 0.000 2.539 1270 S HA 0.272 4.725 4.470 -0.029 0.000 0.235 1270 S C -2.350 172.259 174.600 0.014 0.000 1.326 1270 S CA -1.123 57.078 58.200 0.002 0.000 1.183 1270 S CB 1.582 64.778 63.200 -0.007 0.000 1.073 1270 S HN -0.080 nan 8.310 nan 0.000 0.480 1271 P HA -0.038 nan 4.420 nan 0.000 0.216 1271 P C 0.775 178.079 177.300 0.006 0.000 1.150 1271 P CA 1.032 64.140 63.100 0.013 0.000 0.837 1271 P CB 0.236 31.941 31.700 0.008 0.000 0.786 1272 K N -0.897 119.502 120.400 -0.002 0.000 2.437 1272 K HA 0.307 4.610 4.320 -0.029 0.000 0.205 1272 K C 0.808 177.400 176.600 -0.014 0.000 1.026 1272 K CA 0.150 56.429 56.287 -0.012 0.000 1.153 1272 K CB 0.009 32.497 32.500 -0.019 0.000 0.863 1272 K HN 0.118 nan 8.250 nan 0.000 0.502 1273 G N 1.720 110.524 108.800 0.006 0.000 2.645 1273 G HA2 -0.360 3.583 3.960 -0.029 0.000 0.239 1273 G HA3 -0.360 3.583 3.960 -0.029 0.000 0.239 1273 G C 0.182 175.039 174.900 -0.072 0.000 1.331 1273 G CA 0.304 45.416 45.100 0.019 0.000 0.890 1273 G HN 0.306 nan 8.290 nan 0.000 0.572 1274 K N -1.082 119.165 120.400 -0.254 0.000 2.325 1274 K HA 0.350 4.653 4.320 -0.029 0.000 0.203 1274 K C 1.313 177.730 176.600 -0.305 0.000 1.128 1274 K CA -0.126 55.948 56.287 -0.355 0.000 0.931 1274 K CB -0.036 32.051 32.500 -0.688 0.000 1.125 1274 K HN 0.498 nan 8.250 nan 0.000 0.487 1275 L N 3.848 124.848 121.223 -0.372 0.000 2.483 1275 L HA 0.125 4.447 4.340 -0.029 0.000 0.276 1275 L C 0.138 176.922 176.870 -0.144 0.000 1.213 1275 L CA -0.500 54.220 54.840 -0.201 0.000 0.843 1275 L CB 0.342 42.331 42.059 -0.118 0.000 1.107 1275 L HN 0.197 nan 8.230 nan 0.000 0.487 1276 R N 2.614 123.020 120.500 -0.156 0.000 2.298 1276 R HA 0.096 4.419 4.340 -0.029 0.000 0.310 1276 R C 0.766 176.870 176.300 -0.327 0.000 1.068 1276 R CA -0.612 55.319 56.100 -0.281 0.000 0.957 1276 R CB 0.833 30.836 30.300 -0.495 0.000 1.003 1276 R HN 0.511 nan 8.270 nan 0.000 0.454 1277 L N 3.913 124.983 121.223 -0.255 0.000 2.046 1277 L HA -0.144 4.178 4.340 -0.029 0.000 0.208 1277 L C 1.837 178.594 176.870 -0.188 0.000 1.077 1277 L CA 1.811 56.548 54.840 -0.171 0.000 0.747 1277 L CB -0.347 41.644 42.059 -0.113 0.000 0.896 1277 L HN 0.614 nan 8.230 nan 0.000 0.432 1278 L N -1.124 119.915 121.223 -0.307 0.000 2.027 1278 L HA -0.186 4.137 4.340 -0.029 0.000 0.206 1278 L C 2.026 178.859 176.870 -0.061 0.000 1.074 1278 L CA 1.841 56.589 54.840 -0.153 0.000 0.745 1278 L CB -0.692 41.302 42.059 -0.108 0.000 0.898 1278 L HN 0.532 nan 8.230 nan 0.000 0.433 1279 Y N -3.418 116.912 120.300 0.049 0.000 2.557 1279 Y HA 0.383 4.916 4.550 -0.029 0.000 0.247 1279 Y C 1.561 177.490 175.900 0.048 0.000 1.164 1279 Y CA -0.586 57.548 58.100 0.057 0.000 1.218 1279 Y CB -0.210 38.267 38.460 0.030 0.000 1.210 1279 Y HN 0.043 nan 8.280 nan 0.000 0.529 1280 E N -0.209 119.965 120.200 -0.044 0.000 2.756 1280 E HA 0.073 4.405 4.350 -0.029 0.000 0.192 1280 E C 1.443 178.031 176.600 -0.019 0.000 1.022 1280 E CA 0.779 57.183 56.400 0.007 0.000 1.224 1280 E CB -0.237 29.462 29.700 -0.003 0.000 1.252 1280 E HN 0.310 nan 8.360 nan 0.000 0.494 1281 C N 1.312 120.585 119.300 -0.046 0.000 2.453 1281 C HA -0.022 4.420 4.460 -0.029 0.000 0.277 1281 C C 2.417 177.416 174.990 0.014 0.000 1.262 1281 C CA 0.810 59.826 59.018 -0.004 0.000 1.718 1281 C CB -1.200 26.533 27.740 -0.012 0.000 2.031 1281 C HN 0.462 nan 8.230 nan 0.000 0.480 1282 N N 1.033 119.739 118.700 0.010 0.000 2.084 1282 N HA -0.113 4.610 4.740 -0.029 0.000 0.190 1282 N C -1.037 174.502 175.510 0.048 0.000 1.030 1282 N CA 1.351 54.430 53.050 0.049 0.000 0.849 1282 N CB -0.659 37.876 38.487 0.080 0.000 1.012 1282 N HN 0.401 nan 8.380 nan 0.000 0.423 1283 P HA -0.138 nan 4.420 nan 0.000 0.215 1283 P C 1.145 178.471 177.300 0.043 0.000 1.153 1283 P CA 1.225 64.312 63.100 -0.022 0.000 0.853 1283 P CB 0.091 31.751 31.700 -0.067 0.000 0.788 1284 M N -1.313 118.306 119.600 0.031 0.000 2.254 1284 M HA -0.009 4.454 4.480 -0.029 0.000 0.265 1284 M C 2.075 178.411 176.300 0.059 0.000 1.066 1284 M CA 1.452 56.771 55.300 0.031 0.000 1.123 1284 M CB -1.870 30.706 32.600 -0.040 0.000 1.388 1284 M HN -0.107 nan 8.290 nan 0.000 0.425 1285 A N -0.676 122.188 122.820 0.073 0.000 1.898 1285 A HA -0.209 4.094 4.320 -0.029 0.000 0.216 1285 A C 2.170 179.809 177.584 0.091 0.000 1.181 1285 A CA 1.316 53.398 52.037 0.076 0.000 0.620 1285 A CB -1.105 17.941 19.000 0.076 0.000 0.819 1285 A HN 0.471 nan 8.150 nan 0.000 0.442 1286 Y N 0.668 120.963 120.300 -0.008 0.000 2.114 1286 Y HA -0.207 4.326 4.550 -0.030 0.000 0.284 1286 Y C 2.404 178.296 175.900 -0.014 0.000 1.143 1286 Y CA 2.050 60.140 58.100 -0.016 0.000 1.135 1286 Y CB -0.433 38.001 38.460 -0.044 0.000 0.980 1286 Y HN 0.065 nan 8.280 nan 0.000 0.499 1287 V N 0.257 120.243 119.914 0.121 0.000 2.252 1287 V HA -0.409 3.694 4.120 -0.029 0.000 0.249 1287 V C 2.417 178.495 176.094 -0.028 0.000 1.056 1287 V CA 2.405 64.728 62.300 0.039 0.000 1.022 1287 V CB -0.802 31.093 31.823 0.120 0.000 0.641 1287 V HN 0.512 nan 8.190 nan 0.000 0.445 1288 M N -0.312 119.290 119.600 0.004 0.000 2.117 1288 M HA -0.146 4.316 4.480 -0.029 0.000 0.262 1288 M C 2.031 178.306 176.300 -0.043 0.000 1.065 1288 M CA 1.716 57.012 55.300 -0.007 0.000 1.114 1288 M CB -0.662 31.949 32.600 0.018 0.000 1.361 1288 M HN 0.355 nan 8.290 nan 0.000 0.408 1289 E N -0.539 119.616 120.200 -0.074 0.000 2.072 1289 E HA -0.171 4.162 4.350 -0.029 0.000 0.191 1289 E C 1.819 178.326 176.600 -0.156 0.000 0.985 1289 E CA 0.880 57.219 56.400 -0.103 0.000 0.801 1289 E CB -0.118 29.516 29.700 -0.109 0.000 0.750 1289 E HN 0.396 nan 8.360 nan 0.000 0.452 1290 K N 0.328 120.575 120.400 -0.256 0.000 2.362 1290 K HA -0.024 4.278 4.320 -0.029 0.000 0.200 1290 K C 1.555 178.084 176.600 -0.118 0.000 1.046 1290 K CA 0.598 56.747 56.287 -0.230 0.000 0.952 1290 K CB -0.007 32.294 32.500 -0.331 0.000 0.753 1290 K HN 0.029 nan 8.250 nan 0.000 0.466 1291 A N 0.006 122.775 122.820 -0.086 0.000 2.307 1291 A HA 0.351 4.654 4.320 -0.029 0.000 0.218 1291 A C 1.188 178.750 177.584 -0.036 0.000 1.228 1291 A CA 0.711 52.717 52.037 -0.051 0.000 0.857 1291 A CB -0.118 18.858 19.000 -0.039 0.000 0.897 1291 A HN 0.317 nan 8.150 nan 0.000 0.495 1292 G N -2.016 106.760 108.800 -0.040 0.000 2.141 1292 G HA2 -0.004 3.938 3.960 -0.029 0.000 0.231 1292 G HA3 -0.004 3.938 3.960 -0.029 0.000 0.231 1292 G C 0.641 175.534 174.900 -0.011 0.000 0.984 1292 G CA 0.260 45.346 45.100 -0.023 0.000 0.660 1292 G HN 1.324 nan 8.290 nan 0.000 0.525 1293 G N -1.134 107.659 108.800 -0.013 0.000 2.753 1293 G HA2 0.819 4.762 3.960 -0.029 0.000 0.285 1293 G HA3 0.819 4.762 3.960 -0.029 0.000 0.285 1293 G C -0.249 174.653 174.900 0.004 0.000 1.344 1293 G CA -0.997 44.106 45.100 0.005 0.000 1.050 1293 G HN 0.649 nan 8.290 nan 0.000 0.532 1294 L N -0.912 120.321 121.223 0.017 0.000 2.309 1294 L HA 0.776 5.099 4.340 -0.029 0.000 0.261 1294 L C -0.264 176.620 176.870 0.024 0.000 1.021 1294 L CA -1.188 53.660 54.840 0.014 0.000 0.823 1294 L CB 2.457 44.522 42.059 0.011 0.000 1.366 1294 L HN 0.649 nan 8.230 nan 0.000 0.423 1295 A N 0.681 123.513 122.820 0.019 0.000 2.476 1295 A HA 0.651 4.954 4.320 -0.029 0.000 0.280 1295 A C -0.755 176.834 177.584 0.007 0.000 1.081 1295 A CA -0.346 51.708 52.037 0.029 0.000 0.753 1295 A CB 1.718 20.744 19.000 0.043 0.000 1.248 1295 A HN 0.587 nan 8.150 nan 0.000 0.424 1296 T N -0.016 114.531 114.554 -0.012 0.000 2.901 1296 T HA 0.586 4.919 4.350 -0.029 0.000 0.293 1296 T C 1.239 175.893 174.700 -0.077 0.000 1.084 1296 T CA 0.497 62.567 62.100 -0.051 0.000 1.008 1296 T CB 1.508 70.330 68.868 -0.077 0.000 1.170 1296 T HN 1.160 nan 8.240 nan 0.000 0.509 1297 T N -0.779 113.706 114.554 -0.116 0.000 3.100 1297 T HA 0.383 4.716 4.350 -0.029 0.000 0.253 1297 T C 1.602 176.116 174.700 -0.309 0.000 1.118 1297 T CA 1.044 63.056 62.100 -0.147 0.000 1.058 1297 T CB -0.162 68.633 68.868 -0.121 0.000 0.953 1297 T HN 1.548 nan 8.240 nan 0.000 0.515 1298 G N 1.228 109.798 108.800 -0.384 0.000 2.232 1298 G HA2 -0.229 3.714 3.960 -0.029 0.000 0.226 1298 G HA3 -0.229 3.714 3.960 -0.029 0.000 0.226 1298 G C 0.816 175.367 174.900 -0.581 0.000 0.996 1298 G CA 0.311 44.942 45.100 -0.781 0.000 0.626 1298 G HN 0.548 nan 8.290 nan 0.000 0.509 1299 K N 0.275 120.474 120.400 -0.336 0.000 2.474 1299 K HA 0.325 4.627 4.320 -0.029 0.000 0.204 1299 K C 0.613 177.147 176.600 -0.110 0.000 1.220 1299 K CA 0.830 57.005 56.287 -0.187 0.000 0.966 1299 K CB 0.786 33.200 32.500 -0.144 0.000 1.049 1299 K HN 0.673 nan 8.250 nan 0.000 0.554 1300 E N -0.392 119.746 120.200 -0.104 0.000 2.430 1300 E HA 0.557 4.889 4.350 -0.029 0.000 0.279 1300 E C -1.450 175.120 176.600 -0.050 0.000 1.003 1300 E CA -1.223 55.141 56.400 -0.061 0.000 0.801 1300 E CB 1.354 31.026 29.700 -0.045 0.000 1.313 1300 E HN -0.042 nan 8.360 nan 0.000 0.459 1301 A N 1.525 124.329 122.820 -0.027 0.000 2.488 1301 A HA 0.232 4.535 4.320 -0.029 0.000 0.249 1301 A C 1.096 178.677 177.584 -0.005 0.000 1.083 1301 A CA -0.306 51.723 52.037 -0.012 0.000 0.768 1301 A CB 0.404 19.405 19.000 0.001 0.000 1.017 1301 A HN 0.505 nan 8.150 nan 0.000 0.496 1302 V N 3.468 123.383 119.914 0.002 0.000 2.392 1302 V HA -0.251 3.852 4.120 -0.029 0.000 0.249 1302 V C 2.228 178.339 176.094 0.029 0.000 1.059 1302 V CA 2.193 64.499 62.300 0.010 0.000 1.051 1302 V CB -0.823 31.012 31.823 0.020 0.000 0.658 1302 V HN 0.834 nan 8.190 nan 0.000 0.455 1303 L N -0.250 121.002 121.223 0.048 0.000 2.551 1303 L HA -0.065 4.258 4.340 -0.029 0.000 0.228 1303 L C 1.565 178.472 176.870 0.062 0.000 1.153 1303 L CA 0.808 55.694 54.840 0.077 0.000 0.851 1303 L CB -0.406 41.716 42.059 0.104 0.000 0.959 1303 L HN 0.335 nan 8.230 nan 0.000 0.451 1304 D N -0.233 120.188 120.400 0.036 0.000 2.349 1304 D HA 0.208 4.830 4.640 -0.029 0.000 0.214 1304 D C 0.792 177.100 176.300 0.013 0.000 1.063 1304 D CA 0.172 54.188 54.000 0.026 0.000 0.847 1304 D CB 0.476 41.286 40.800 0.017 0.000 0.933 1304 D HN 0.207 nan 8.370 nan 0.000 0.513 1305 I N 1.366 121.941 120.570 0.008 0.000 2.556 1305 I HA -0.032 4.121 4.170 -0.029 0.000 0.284 1305 I C 0.255 176.367 176.117 -0.009 0.000 1.114 1305 I CA -0.178 61.118 61.300 -0.006 0.000 1.418 1305 I CB 1.209 39.201 38.000 -0.013 0.000 1.394 1305 I HN -0.353 nan 8.210 nan 0.000 0.552 1306 V N 8.818 128.721 119.914 -0.017 0.000 2.334 1306 V HA 0.220 4.322 4.120 -0.029 0.000 0.267 1306 V C -1.641 174.430 176.094 -0.038 0.000 1.040 1306 V CA -1.410 60.873 62.300 -0.028 0.000 0.866 1306 V CB 0.418 32.226 31.823 -0.026 0.000 1.019 1306 V HN 0.645 nan 8.190 nan 0.000 0.468 1307 P HA 0.231 nan 4.420 nan 0.000 0.274 1307 P C 0.432 177.699 177.300 -0.054 0.000 1.237 1307 P CA -0.092 62.975 63.100 -0.055 0.000 0.793 1307 P CB 1.234 32.890 31.700 -0.073 0.000 0.977 1308 T N -4.111 110.415 114.554 -0.046 0.000 3.004 1308 T HA 0.180 4.513 4.350 -0.029 0.000 0.266 1308 T C -0.078 174.598 174.700 -0.040 0.000 0.986 1308 T CA -0.048 62.028 62.100 -0.040 0.000 0.902 1308 T CB -0.033 68.819 68.868 -0.028 0.000 1.118 1308 T HN 0.356 nan 8.240 nan 0.000 0.522 1309 D N 1.510 121.882 120.400 -0.046 0.000 2.863 1309 D HA 0.291 4.914 4.640 -0.029 0.000 0.245 1309 D C 1.283 177.532 176.300 -0.085 0.000 1.211 1309 D CA -1.049 52.924 54.000 -0.045 0.000 0.888 1309 D CB 1.536 42.329 40.800 -0.010 0.000 1.483 1309 D HN 0.063 nan 8.370 nan 0.000 0.533 1310 I N 1.897 122.379 120.570 -0.148 0.000 2.756 1310 I HA -0.059 4.094 4.170 -0.029 0.000 0.262 1310 I C 0.210 176.163 176.117 -0.273 0.000 1.225 1310 I CA 1.366 62.531 61.300 -0.225 0.000 1.472 1310 I CB -0.812 37.011 38.000 -0.294 0.000 1.094 1310 I HN 0.383 nan 8.210 nan 0.000 0.454 1311 H N 1.602 120.700 119.070 0.047 0.000 2.505 1311 H HA 0.329 4.867 4.556 -0.029 0.000 0.286 1311 H C 0.429 175.737 175.328 -0.032 0.000 1.072 1311 H CA -0.360 55.723 56.048 0.058 0.000 1.141 1311 H CB -0.021 29.797 29.762 0.093 0.000 1.550 1311 H HN 0.544 nan 8.280 nan 0.000 0.547 1312 Q N 1.639 121.444 119.800 0.008 0.000 2.333 1312 Q HA -0.006 4.316 4.340 -0.029 0.000 0.299 1312 Q C -0.098 175.866 176.000 -0.060 0.000 1.067 1312 Q CA 0.361 56.148 55.803 -0.026 0.000 0.943 1312 Q CB 0.732 29.440 28.738 -0.051 0.000 1.233 1312 Q HN 0.350 nan 8.270 nan 0.000 0.401 1313 R N 1.089 121.561 120.500 -0.046 0.000 2.573 1313 R HA 0.756 5.078 4.340 -0.029 0.000 0.272 1313 R C -1.130 175.132 176.300 -0.063 0.000 1.009 1313 R CA -0.359 55.701 56.100 -0.067 0.000 1.059 1313 R CB 1.681 31.948 30.300 -0.056 0.000 1.112 1313 R HN 0.658 nan 8.270 nan 0.000 0.517 1314 A N 2.501 125.281 122.820 -0.068 0.000 2.520 1314 A HA 0.573 4.876 4.320 -0.029 0.000 0.298 1314 A C -2.714 174.852 177.584 -0.029 0.000 1.051 1314 A CA -1.781 50.228 52.037 -0.046 0.000 0.690 1314 A CB 1.736 20.710 19.000 -0.044 0.000 1.281 1314 A HN 0.381 nan 8.150 nan 0.000 0.402 1315 P HA 0.554 nan 4.420 nan 0.000 0.272 1315 P C -0.691 176.619 177.300 0.017 0.000 1.223 1315 P CA 0.004 63.114 63.100 0.016 0.000 0.784 1315 P CB 0.782 32.476 31.700 -0.010 0.000 0.923 1316 I N 1.563 122.168 120.570 0.059 0.000 2.722 1316 I HA 0.472 4.624 4.170 -0.029 0.000 0.292 1316 I C -1.777 174.377 176.117 0.061 0.000 1.267 1316 I CA -0.955 60.384 61.300 0.066 0.000 1.036 1316 I CB 1.460 39.533 38.000 0.122 0.000 1.281 1316 I HN 0.055 nan 8.210 nan 0.000 0.423 1317 I N 8.167 128.758 120.570 0.035 0.000 2.478 1317 I HA 0.542 4.694 4.170 -0.029 0.000 0.287 1317 I C -1.078 175.080 176.117 0.068 0.000 1.042 1317 I CA -0.268 61.046 61.300 0.023 0.000 1.067 1317 I CB 1.753 39.724 38.000 -0.048 0.000 1.233 1317 I HN 0.449 nan 8.210 nan 0.000 0.431 1318 L N 3.947 125.253 121.223 0.139 0.000 2.491 1318 L HA 1.173 5.496 4.340 -0.029 0.000 0.254 1318 L C 0.053 177.010 176.870 0.144 0.000 1.048 1318 L CA -0.397 54.520 54.840 0.128 0.000 0.855 1318 L CB 1.551 43.693 42.059 0.138 0.000 1.466 1318 L HN 0.798 nan 8.230 nan 0.000 0.409 1319 G N -0.781 108.079 108.800 0.100 0.000 2.260 1319 G HA2 0.138 4.081 3.960 -0.029 0.000 0.250 1319 G HA3 0.138 4.081 3.960 -0.029 0.000 0.250 1319 G C -1.065 173.881 174.900 0.076 0.000 1.340 1319 G CA -0.406 44.753 45.100 0.099 0.000 1.056 1319 G HN 0.844 nan 8.290 nan 0.000 0.471 1320 S N 3.135 118.888 115.700 0.089 0.000 2.563 1320 S HA 0.302 4.755 4.470 -0.029 0.000 0.294 1320 S C -0.689 173.953 174.600 0.069 0.000 1.279 1320 S CA 0.235 58.480 58.200 0.075 0.000 1.069 1320 S CB 1.508 64.764 63.200 0.093 0.000 0.828 1320 S HN 0.542 nan 8.310 nan 0.000 0.497 1321 P HA -0.149 nan 4.420 nan 0.000 0.215 1321 P C 0.874 178.204 177.300 0.050 0.000 1.153 1321 P CA 1.237 64.361 63.100 0.040 0.000 0.853 1321 P CB 0.183 31.899 31.700 0.028 0.000 0.788 1322 E N -0.458 119.780 120.200 0.063 0.000 2.204 1322 E HA -0.136 4.196 4.350 -0.029 0.000 0.194 1322 E C 1.716 178.379 176.600 0.105 0.000 0.989 1322 E CA 0.754 57.199 56.400 0.075 0.000 0.824 1322 E CB -0.292 29.455 29.700 0.078 0.000 0.756 1322 E HN 0.316 nan 8.360 nan 0.000 0.477 1323 D N 0.214 120.695 120.400 0.136 0.000 2.123 1323 D HA -0.096 4.526 4.640 -0.029 0.000 0.200 1323 D C 2.094 178.438 176.300 0.072 0.000 0.976 1323 D CA 0.782 54.893 54.000 0.185 0.000 0.831 1323 D CB 0.010 40.975 40.800 0.275 0.000 0.974 1323 D HN 0.034 nan 8.370 nan 0.000 0.469 1324 V N 1.195 121.133 119.914 0.040 0.000 2.407 1324 V HA -0.184 3.918 4.120 -0.029 0.000 0.248 1324 V C 2.470 178.543 176.094 -0.034 0.000 1.055 1324 V CA 1.651 63.937 62.300 -0.023 0.000 1.049 1324 V CB -0.667 31.159 31.823 0.004 0.000 0.662 1324 V HN 0.191 nan 8.190 nan 0.000 0.455 1325 T N -0.708 113.849 114.554 0.005 0.000 2.915 1325 T HA -0.177 4.155 4.350 -0.029 0.000 0.269 1325 T C 1.846 176.554 174.700 0.015 0.000 1.071 1325 T CA 1.510 63.617 62.100 0.011 0.000 1.132 1325 T CB -0.087 68.796 68.868 0.025 0.000 0.878 1325 T HN 0.656 nan 8.240 nan 0.000 0.479 1326 E N 0.474 120.690 120.200 0.027 0.000 2.072 1326 E HA -0.118 4.215 4.350 -0.029 0.000 0.191 1326 E C 2.139 178.740 176.600 0.002 0.000 0.985 1326 E CA 0.749 57.182 56.400 0.055 0.000 0.801 1326 E CB -0.139 29.648 29.700 0.144 0.000 0.750 1326 E HN 0.248 nan 8.360 nan 0.000 0.452 1327 L N 1.140 122.257 121.223 -0.176 0.000 2.017 1327 L HA -0.132 4.190 4.340 -0.029 0.000 0.208 1327 L C 2.171 179.039 176.870 -0.004 0.000 1.073 1327 L CA 1.516 56.186 54.840 -0.284 0.000 0.745 1327 L CB -0.675 41.030 42.059 -0.589 0.000 0.894 1327 L HN 0.259 nan 8.230 nan 0.000 0.432 1328 L N -0.582 120.652 121.223 0.018 0.000 2.079 1328 L HA -0.262 4.061 4.340 -0.029 0.000 0.210 1328 L C 2.517 179.446 176.870 0.099 0.000 1.081 1328 L CA 1.564 56.451 54.840 0.078 0.000 0.752 1328 L CB -0.426 41.641 42.059 0.014 0.000 0.896 1328 L HN 0.388 nan 8.230 nan 0.000 0.433 1329 E N -0.290 119.946 120.200 0.060 0.000 2.110 1329 E HA -0.227 4.106 4.350 -0.029 0.000 0.193 1329 E C 2.104 178.750 176.600 0.077 0.000 0.988 1329 E CA 0.960 57.395 56.400 0.059 0.000 0.804 1329 E CB 0.054 29.780 29.700 0.043 0.000 0.745 1329 E HN 0.350 nan 8.360 nan 0.000 0.458 1330 I N 0.079 120.694 120.570 0.075 0.000 2.315 1330 I HA -0.210 3.943 4.170 -0.029 0.000 0.248 1330 I C 1.900 178.088 176.117 0.118 0.000 1.117 1330 I CA 1.339 62.691 61.300 0.088 0.000 1.404 1330 I CB -1.085 36.927 38.000 0.020 0.000 1.071 1330 I HN 0.131 nan 8.210 nan 0.000 0.419 1331 Y N 1.376 121.698 120.300 0.037 0.000 2.200 1331 Y HA -0.218 4.314 4.550 -0.029 0.000 0.290 1331 Y C 2.785 178.723 175.900 0.063 0.000 1.137 1331 Y CA 1.530 59.650 58.100 0.033 0.000 1.163 1331 Y CB -0.433 38.012 38.460 -0.025 0.000 0.988 1331 Y HN 0.243 nan 8.280 nan 0.000 0.518 1332 Q N -0.102 119.817 119.800 0.198 0.000 2.170 1332 Q HA -0.225 4.098 4.340 -0.029 0.000 0.203 1332 Q C 2.204 178.251 176.000 0.077 0.000 0.976 1332 Q CA 1.668 57.539 55.803 0.112 0.000 0.858 1332 Q CB -0.115 28.666 28.738 0.072 0.000 0.907 1332 Q HN 0.378 nan 8.270 nan 0.000 0.433 1333 K N -0.156 120.285 120.400 0.067 0.000 2.097 1333 K HA -0.159 4.144 4.320 -0.029 0.000 0.205 1333 K C 1.688 178.242 176.600 -0.077 0.000 1.050 1333 K CA 1.118 57.394 56.287 -0.019 0.000 0.938 1333 K CB 0.059 32.526 32.500 -0.055 0.000 0.718 1333 K HN 0.338 nan 8.250 nan 0.000 0.442 1334 H N 0.151 119.218 119.070 -0.005 0.000 2.502 1334 H HA 0.111 4.649 4.556 -0.029 0.000 0.283 1334 H C 1.000 176.337 175.328 0.014 0.000 1.015 1334 H CA 0.456 56.497 56.048 -0.012 0.000 1.298 1334 H CB 0.077 29.807 29.762 -0.052 0.000 1.411 1334 H HN 0.302 nan 8.280 nan 0.000 0.556 1335 A N 0.000 122.902 122.820 0.136 0.000 2.254 1335 A HA 0.000 4.303 4.320 -0.029 0.000 0.244 1335 A CA 0.000 52.099 52.037 0.104 0.000 0.836 1335 A CB 0.000 19.054 19.000 0.089 0.000 0.831 1335 A HN 0.000 nan 8.150 nan 0.000 0.486