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 1nv2_1_A DATA FIRST_RESID 1007 DATA SEQUENCE DTNIVTLTRF VMEEGRKARG TGEMTQLLNS LCTAVKAIST AVRKAGIAHL DATA SEQUENCE YGIAGSTNVT GDQVKKLDVL SNDLVINVLK SSFATCVLVS EEDKNAIIVE DATA SEQUENCE PEKRGKYVVC FDPLDGSSNI DCLVSIGTIF GIYRKNSTDE PSEKDALQPG DATA SEQUENCE RNLVAAGYAL YGSATMLVLA MVNGVNCFML DPAIGEFILV DRDVKIKKKG DATA SEQUENCE SIYSINEGYA KEFDPAITEY IQRKKFPPDN SAPYGARYVG SMVADVHRTL DATA SEQUENCE VYGGIFMYPA NKKSPKGKLR LLYECNPMAY VMEKAGGLAT TGKEAVLDIV DATA SEQUENCE PTDIHQRAPI ILGSPEDVTE LLEIYQKHAA K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1007 D HA 0.000 nan 4.640 nan 0.000 0.175 1007 D C 0.000 176.307 176.300 0.012 0.000 2.045 1007 D CA 0.000 54.007 54.000 0.011 0.000 0.868 1007 D CB 0.000 40.805 40.800 0.008 0.000 0.688 1008 T N -1.901 112.661 114.554 0.013 0.000 3.182 1008 T HA 0.347 4.678 4.350 -0.032 0.000 0.277 1008 T C 0.109 174.820 174.700 0.017 0.000 1.013 1008 T CA -0.470 61.638 62.100 0.013 0.000 0.900 1008 T CB -0.166 68.708 68.868 0.010 0.000 1.098 1008 T HN 0.048 nan 8.240 nan 0.000 0.543 1009 N N 1.887 120.600 118.700 0.022 0.000 2.791 1009 N HA 0.365 5.085 4.740 -0.032 0.000 0.265 1009 N C -1.065 174.468 175.510 0.039 0.000 1.580 1009 N CA -0.811 52.257 53.050 0.029 0.000 0.809 1009 N CB 0.081 38.586 38.487 0.029 0.000 1.178 1009 N HN 0.390 nan 8.380 nan 0.000 0.499 1010 I N 0.209 120.804 120.570 0.042 0.000 2.379 1010 I HA 0.241 4.391 4.170 -0.032 0.000 0.290 1010 I C 0.232 176.397 176.117 0.080 0.000 1.063 1010 I CA -0.993 60.340 61.300 0.054 0.000 1.351 1010 I CB 0.614 38.641 38.000 0.045 0.000 1.410 1010 I HN -0.050 nan 8.210 nan 0.000 0.505 1011 V N 6.679 126.655 119.914 0.104 0.000 2.302 1011 V HA 0.099 4.200 4.120 -0.032 0.000 0.244 1011 V C 1.137 177.355 176.094 0.206 0.000 1.160 1011 V CA -0.036 62.359 62.300 0.159 0.000 1.127 1011 V CB -1.120 30.811 31.823 0.180 0.000 1.253 1011 V HN 0.999 nan 8.190 nan 0.000 0.496 1012 T N 1.629 116.283 114.554 0.167 0.000 2.788 1012 T HA 0.304 4.635 4.350 -0.032 0.000 0.287 1012 T C 1.272 176.041 174.700 0.116 0.000 1.007 1012 T CA -0.382 61.808 62.100 0.149 0.000 1.005 1012 T CB 1.304 70.222 68.868 0.085 0.000 1.012 1012 T HN 0.328 nan 8.240 nan 0.000 0.530 1013 L N 0.624 121.789 121.223 -0.097 0.000 2.042 1013 L HA -0.087 4.234 4.340 -0.032 0.000 0.210 1013 L C 2.707 179.466 176.870 -0.185 0.000 1.076 1013 L CA 1.971 56.469 54.840 -0.569 0.000 0.749 1013 L CB -1.041 40.532 42.059 -0.809 0.000 0.893 1013 L HN 0.930 nan 8.230 nan 0.000 0.432 1014 T N -0.315 114.191 114.554 -0.081 0.000 2.652 1014 T HA -0.273 4.058 4.350 -0.032 0.000 0.267 1014 T C 1.958 176.671 174.700 0.022 0.000 1.039 1014 T CA 1.824 63.906 62.100 -0.030 0.000 1.153 1014 T CB -0.292 68.569 68.868 -0.012 0.000 0.863 1014 T HN 0.361 nan 8.240 nan 0.000 0.428 1015 R N -0.297 120.240 120.500 0.061 0.000 2.083 1015 R HA -0.124 4.197 4.340 -0.032 0.000 0.237 1015 R C 2.288 178.653 176.300 0.107 0.000 1.137 1015 R CA 1.687 57.834 56.100 0.078 0.000 0.951 1015 R CB -0.635 29.723 30.300 0.097 0.000 0.851 1015 R HN 0.415 nan 8.270 nan 0.000 0.434 1016 F N 1.034 121.011 119.950 0.045 0.000 2.043 1016 F HA -0.263 4.245 4.527 -0.031 0.000 0.297 1016 F C 2.174 178.001 175.800 0.046 0.000 1.121 1016 F CA 1.963 60.020 58.000 0.094 0.000 1.199 1016 F CB -0.553 38.597 39.000 0.250 0.000 0.968 1016 F HN -0.177 nan 8.300 nan 0.000 0.478 1017 V N 0.471 120.489 119.914 0.173 0.000 2.469 1017 V HA -0.364 3.737 4.120 -0.032 0.000 0.251 1017 V C 2.412 178.479 176.094 -0.045 0.000 1.064 1017 V CA 2.179 64.507 62.300 0.046 0.000 1.066 1017 V CB -0.616 31.224 31.823 0.029 0.000 0.667 1017 V HN 0.472 nan 8.190 nan 0.000 0.461 1018 M N -0.736 118.844 119.600 -0.034 0.000 2.098 1018 M HA -0.150 4.311 4.480 -0.032 0.000 0.262 1018 M C 2.294 178.557 176.300 -0.062 0.000 1.072 1018 M CA 1.828 57.107 55.300 -0.035 0.000 1.133 1018 M CB -0.270 32.321 32.600 -0.014 0.000 1.344 1018 M HN 0.345 nan 8.290 nan 0.000 0.414 1019 E N -0.177 119.971 120.200 -0.087 0.000 2.153 1019 E HA -0.269 4.062 4.350 -0.032 0.000 0.194 1019 E C 1.686 178.194 176.600 -0.154 0.000 0.988 1019 E CA 1.486 57.822 56.400 -0.107 0.000 0.811 1019 E CB -0.201 29.434 29.700 -0.108 0.000 0.746 1019 E HN 0.506 nan 8.360 nan 0.000 0.466 1020 E N 1.069 121.121 120.200 -0.246 0.000 2.023 1020 E HA -0.144 4.187 4.350 -0.032 0.000 0.196 1020 E C 1.680 178.211 176.600 -0.116 0.000 1.003 1020 E CA 1.687 57.937 56.400 -0.251 0.000 0.809 1020 E CB -0.405 29.100 29.700 -0.324 0.000 0.755 1020 E HN 0.167 nan 8.360 nan 0.000 0.449 1021 G N -0.417 108.338 108.800 -0.076 0.000 3.496 1021 G HA2 0.026 3.966 3.960 -0.032 0.000 0.273 1021 G HA3 0.026 3.966 3.960 -0.032 0.000 0.273 1021 G C 1.018 175.903 174.900 -0.024 0.000 1.279 1021 G CA -0.031 45.050 45.100 -0.031 0.000 1.041 1021 G HN 0.044 nan 8.290 nan 0.000 0.539 1022 R N 1.914 122.391 120.500 -0.037 0.000 2.082 1022 R HA -0.012 4.309 4.340 -0.032 0.000 0.218 1022 R C 2.840 179.130 176.300 -0.016 0.000 1.171 1022 R CA 1.579 57.663 56.100 -0.026 0.000 0.914 1022 R CB -0.278 30.002 30.300 -0.033 0.000 0.806 1022 R HN 0.182 nan 8.270 nan 0.000 0.453 1023 K N 0.562 120.951 120.400 -0.018 0.000 2.127 1023 K HA -0.121 4.179 4.320 -0.032 0.000 0.208 1023 K C 1.178 177.776 176.600 -0.004 0.000 1.047 1023 K CA 2.028 58.309 56.287 -0.010 0.000 0.927 1023 K CB -0.785 31.708 32.500 -0.011 0.000 0.716 1023 K HN 0.262 nan 8.250 nan 0.000 0.450 1024 A N 1.758 124.576 122.820 -0.004 0.000 2.359 1024 A HA 0.115 4.416 4.320 -0.032 0.000 0.240 1024 A C 0.811 178.401 177.584 0.010 0.000 1.306 1024 A CA -0.244 51.797 52.037 0.005 0.000 0.898 1024 A CB -0.515 18.491 19.000 0.009 0.000 0.956 1024 A HN 0.365 nan 8.150 nan 0.000 0.497 1025 R N -0.694 119.809 120.500 0.006 0.000 3.188 1025 R HA -0.202 4.118 4.340 -0.032 0.000 0.678 1025 R C 0.846 177.157 176.300 0.019 0.000 0.241 1025 R CA 2.156 58.261 56.100 0.008 0.000 2.074 1025 R CB -1.090 29.214 30.300 0.007 0.000 0.714 1025 R HN 1.620 nan 8.270 nan 0.000 0.670 1026 G N -4.056 104.757 108.800 0.022 0.000 2.392 1026 G HA2 -0.144 3.796 3.960 -0.032 0.000 0.677 1026 G HA3 -0.144 3.796 3.960 -0.032 0.000 0.677 1026 G C 0.550 175.471 174.900 0.036 0.000 1.334 1026 G CA 0.683 45.805 45.100 0.036 0.000 0.961 1026 G HN 0.752 nan 8.290 nan 0.000 0.616 1027 T N -1.942 112.639 114.554 0.046 0.000 2.778 1027 T HA 0.244 4.575 4.350 -0.032 0.000 0.269 1027 T C 2.638 177.366 174.700 0.047 0.000 1.050 1027 T CA 2.326 64.452 62.100 0.042 0.000 1.137 1027 T CB -0.387 68.513 68.868 0.053 0.000 0.860 1027 T HN 2.833 nan 8.240 nan 0.000 0.468 1028 G N 1.876 110.713 108.800 0.062 0.000 2.136 1028 G HA2 -0.296 3.644 3.960 -0.032 0.000 0.242 1028 G HA3 -0.296 3.644 3.960 -0.032 0.000 0.242 1028 G C 0.525 175.464 174.900 0.066 0.000 0.989 1028 G CA 0.508 45.638 45.100 0.049 0.000 0.682 1028 G HN 0.807 nan 8.290 nan 0.000 0.522 1029 E N -1.055 119.219 120.200 0.123 0.000 2.435 1029 E HA 0.146 4.476 4.350 -0.032 0.000 0.195 1029 E C 2.176 178.839 176.600 0.106 0.000 1.029 1029 E CA 0.836 57.327 56.400 0.150 0.000 0.865 1029 E CB -0.091 29.739 29.700 0.217 0.000 0.833 1029 E HN 0.507 nan 8.360 nan 0.000 0.510 1030 M N 2.049 121.682 119.600 0.055 0.000 2.077 1030 M HA -0.086 4.374 4.480 -0.032 0.000 0.261 1030 M C 1.991 178.219 176.300 -0.120 0.000 1.070 1030 M CA 2.014 57.215 55.300 -0.165 0.000 1.125 1030 M CB -0.722 31.790 32.600 -0.148 0.000 1.339 1030 M HN 0.006 nan 8.290 nan 0.000 0.409 1031 T N 1.182 115.704 114.554 -0.054 0.000 2.635 1031 T HA -0.242 4.088 4.350 -0.032 0.000 0.267 1031 T C 1.679 176.345 174.700 -0.055 0.000 1.040 1031 T CA 2.098 64.166 62.100 -0.054 0.000 1.156 1031 T CB -0.496 68.358 68.868 -0.024 0.000 0.863 1031 T HN 0.610 nan 8.240 nan 0.000 0.430 1032 Q N 0.593 120.382 119.800 -0.019 0.000 2.135 1032 Q HA -0.055 4.266 4.340 -0.032 0.000 0.204 1032 Q C 2.378 178.348 176.000 -0.050 0.000 0.981 1032 Q CA 0.933 56.733 55.803 -0.005 0.000 0.856 1032 Q CB -0.475 28.296 28.738 0.055 0.000 0.902 1032 Q HN 0.340 nan 8.270 nan 0.000 0.425 1033 L N 1.048 122.223 121.223 -0.080 0.000 1.970 1033 L HA -0.183 4.138 4.340 -0.032 0.000 0.212 1033 L C 2.208 178.955 176.870 -0.205 0.000 1.071 1033 L CA 1.740 56.496 54.840 -0.140 0.000 0.751 1033 L CB -0.620 41.308 42.059 -0.219 0.000 0.889 1033 L HN 0.348 nan 8.230 nan 0.000 0.432 1034 L N -0.208 120.882 121.223 -0.222 0.000 2.093 1034 L HA -0.229 4.091 4.340 -0.032 0.000 0.208 1034 L C 2.328 179.050 176.870 -0.246 0.000 1.085 1034 L CA 0.956 55.629 54.840 -0.277 0.000 0.755 1034 L CB -0.654 41.263 42.059 -0.236 0.000 0.904 1034 L HN 0.373 nan 8.230 nan 0.000 0.435 1035 N N -0.274 118.330 118.700 -0.161 0.000 2.120 1035 N HA -0.137 4.583 4.740 -0.032 0.000 0.188 1035 N C 2.040 177.484 175.510 -0.112 0.000 1.024 1035 N CA 1.488 54.470 53.050 -0.113 0.000 0.852 1035 N CB -0.354 38.096 38.487 -0.062 0.000 1.003 1035 N HN 0.149 nan 8.380 nan 0.000 0.424 1036 S N 1.088 116.715 115.700 -0.122 0.000 2.370 1036 S HA -0.110 4.340 4.470 -0.032 0.000 0.226 1036 S C 1.888 176.384 174.600 -0.174 0.000 1.033 1036 S CA 0.688 58.812 58.200 -0.127 0.000 1.011 1036 S CB -0.356 62.766 63.200 -0.130 0.000 0.852 1036 S HN 0.199 nan 8.310 nan 0.000 0.457 1037 L N 1.356 122.426 121.223 -0.255 0.000 2.056 1037 L HA -0.019 4.302 4.340 -0.032 0.000 0.207 1037 L C 2.319 179.023 176.870 -0.275 0.000 1.078 1037 L CA 1.428 56.064 54.840 -0.340 0.000 0.749 1037 L CB -1.020 40.716 42.059 -0.538 0.000 0.901 1037 L HN 0.337 nan 8.230 nan 0.000 0.433 1038 C N -0.988 118.151 119.300 -0.268 0.000 2.401 1038 C HA -0.198 4.242 4.460 -0.032 0.000 0.276 1038 C C 2.663 177.704 174.990 0.086 0.000 1.233 1038 C CA 1.507 60.428 59.018 -0.162 0.000 1.753 1038 C CB -1.291 26.381 27.740 -0.114 0.000 2.029 1038 C HN 0.608 nan 8.230 nan 0.000 0.478 1039 T N 0.913 115.472 114.554 0.009 0.000 2.684 1039 T HA -0.153 4.177 4.350 -0.032 0.000 0.267 1039 T C 2.073 176.777 174.700 0.007 0.000 1.036 1039 T CA 1.798 63.910 62.100 0.020 0.000 1.148 1039 T CB -0.396 68.459 68.868 -0.022 0.000 0.863 1039 T HN 0.662 nan 8.240 nan 0.000 0.436 1040 A N 0.681 123.474 122.820 -0.045 0.000 1.930 1040 A HA -0.008 4.292 4.320 -0.032 0.000 0.217 1040 A C 2.551 180.139 177.584 0.007 0.000 1.175 1040 A CA 1.120 53.126 52.037 -0.053 0.000 0.627 1040 A CB -0.840 18.088 19.000 -0.121 0.000 0.815 1040 A HN 0.365 nan 8.150 nan 0.000 0.443 1041 V N 0.059 120.006 119.914 0.054 0.000 2.427 1041 V HA -0.245 3.856 4.120 -0.032 0.000 0.248 1041 V C 2.421 178.675 176.094 0.266 0.000 1.051 1041 V CA 2.245 64.670 62.300 0.207 0.000 1.048 1041 V CB -0.604 31.326 31.823 0.178 0.000 0.666 1041 V HN 0.533 nan 8.190 nan 0.000 0.456 1042 K N 0.270 120.814 120.400 0.241 0.000 2.057 1042 K HA -0.116 4.184 4.320 -0.032 0.000 0.207 1042 K C 2.205 178.819 176.600 0.024 0.000 1.049 1042 K CA 1.526 57.886 56.287 0.122 0.000 0.931 1042 K CB -0.356 32.181 32.500 0.061 0.000 0.714 1042 K HN 0.475 nan 8.250 nan 0.000 0.440 1043 A N 0.782 123.605 122.820 0.004 0.000 2.066 1043 A HA -0.039 4.262 4.320 -0.032 0.000 0.218 1043 A C 1.948 179.484 177.584 -0.080 0.000 1.157 1043 A CA 0.902 52.915 52.037 -0.039 0.000 0.670 1043 A CB -0.375 18.603 19.000 -0.038 0.000 0.804 1043 A HN 0.160 nan 8.150 nan 0.000 0.453 1044 I N -1.392 119.122 120.570 -0.095 0.000 2.333 1044 I HA -0.142 4.009 4.170 -0.032 0.000 0.246 1044 I C 2.731 178.616 176.117 -0.388 0.000 1.106 1044 I CA 1.179 62.349 61.300 -0.217 0.000 1.411 1044 I CB -0.228 37.647 38.000 -0.208 0.000 1.082 1044 I HN 0.333 nan 8.210 nan 0.000 0.420 1045 S N 0.242 115.727 115.700 -0.358 0.000 2.370 1045 S HA -0.211 4.240 4.470 -0.032 0.000 0.226 1045 S C 2.086 176.588 174.600 -0.164 0.000 1.033 1045 S CA 2.358 60.388 58.200 -0.284 0.000 1.011 1045 S CB -0.294 62.915 63.200 0.014 0.000 0.852 1045 S HN 0.431 nan 8.310 nan 0.000 0.457 1046 T N 1.677 116.161 114.554 -0.118 0.000 2.821 1046 T HA 0.084 4.414 4.350 -0.032 0.000 0.267 1046 T C 2.049 176.683 174.700 -0.110 0.000 1.046 1046 T CA 1.168 63.213 62.100 -0.093 0.000 1.139 1046 T CB -0.561 68.263 68.868 -0.073 0.000 0.871 1046 T HN 0.497 nan 8.240 nan 0.000 0.454 1047 A N 0.930 123.671 122.820 -0.132 0.000 1.902 1047 A HA -0.029 4.271 4.320 -0.032 0.000 0.217 1047 A C 2.558 180.047 177.584 -0.159 0.000 1.181 1047 A CA 1.250 53.204 52.037 -0.139 0.000 0.623 1047 A CB -0.960 17.961 19.000 -0.132 0.000 0.818 1047 A HN 0.346 nan 8.150 nan 0.000 0.443 1048 V N -0.236 119.572 119.914 -0.178 0.000 2.358 1048 V HA -0.181 3.920 4.120 -0.032 0.000 0.246 1048 V C 2.571 178.614 176.094 -0.085 0.000 1.047 1048 V CA 2.061 64.276 62.300 -0.141 0.000 1.035 1048 V CB -0.765 30.937 31.823 -0.201 0.000 0.658 1048 V HN 0.413 nan 8.190 nan 0.000 0.452 1049 R N 1.056 121.506 120.500 -0.083 0.000 2.293 1049 R HA -0.079 4.242 4.340 -0.032 0.000 0.219 1049 R C 1.678 177.941 176.300 -0.061 0.000 1.091 1049 R CA 0.930 57.003 56.100 -0.045 0.000 1.004 1049 R CB -0.364 29.913 30.300 -0.039 0.000 0.865 1049 R HN 0.743 nan 8.270 nan 0.000 0.469 1050 K N -2.158 118.179 120.400 -0.106 0.000 2.619 1050 K HA 0.394 4.694 4.320 -0.032 0.000 0.201 1050 K C 0.998 177.461 176.600 -0.229 0.000 1.090 1050 K CA 0.345 56.552 56.287 -0.133 0.000 1.063 1050 K CB 0.719 33.150 32.500 -0.116 0.000 0.810 1050 K HN -0.064 nan 8.250 nan 0.000 0.506 1051 A N 1.318 123.955 122.820 -0.306 0.000 1.940 1051 A HA -0.059 4.242 4.320 -0.032 0.000 0.219 1051 A C 2.165 179.255 177.584 -0.823 0.000 1.176 1051 A CA 1.971 53.671 52.037 -0.562 0.000 0.631 1051 A CB -0.965 17.624 19.000 -0.685 0.000 0.814 1051 A HN 0.561 nan 8.150 nan 0.000 0.446 1052 G N -0.162 108.211 108.800 -0.712 0.000 2.394 1052 G HA2 -0.091 3.850 3.960 -0.032 0.000 0.215 1052 G HA3 -0.091 3.850 3.960 -0.032 0.000 0.215 1052 G C 1.400 176.065 174.900 -0.393 0.000 1.165 1052 G CA 0.959 45.819 45.100 -0.399 0.000 0.784 1052 G HN 0.343 nan 8.290 nan 0.000 0.535 1053 I N 1.997 122.365 120.570 -0.337 0.000 2.163 1053 I HA -0.147 4.003 4.170 -0.032 0.000 0.243 1053 I C 3.090 178.840 176.117 -0.612 0.000 1.085 1053 I CA 1.389 62.451 61.300 -0.396 0.000 1.347 1053 I CB -1.179 36.692 38.000 -0.216 0.000 1.044 1053 I HN 0.259 nan 8.210 nan 0.000 0.408 1054 A N -1.124 121.447 122.820 -0.416 0.000 2.206 1054 A HA -0.093 4.208 4.320 -0.032 0.000 0.211 1054 A C 0.639 178.109 177.584 -0.190 0.000 1.158 1054 A CA 0.261 52.137 52.037 -0.270 0.000 0.761 1054 A CB -0.662 18.232 19.000 -0.177 0.000 0.801 1054 A HN 0.613 nan 8.150 nan 0.000 0.473 1055 H N -2.156 116.820 119.070 -0.157 0.000 2.880 1055 H HA -0.123 4.416 4.556 -0.028 0.000 0.304 1055 H C 0.180 175.430 175.328 -0.130 0.000 1.259 1055 H CA 1.031 57.008 56.048 -0.117 0.000 1.153 1055 H CB -1.992 27.739 29.762 -0.052 0.000 1.395 1055 H HN 0.515 nan 8.280 nan 0.000 0.420 1056 L N -0.406 120.703 121.223 -0.191 0.000 2.741 1056 L HA 0.184 4.505 4.340 -0.032 0.000 0.237 1056 L C 0.823 177.643 176.870 -0.083 0.000 1.178 1056 L CA 0.083 54.839 54.840 -0.140 0.000 0.973 1056 L CB 0.094 42.044 42.059 -0.182 0.000 1.255 1056 L HN 0.162 nan 8.230 nan 0.000 0.498 1057 Y N 0.078 120.399 120.300 0.034 0.000 2.316 1057 Y HA 0.587 5.118 4.550 -0.030 0.000 0.324 1057 Y C 1.223 177.144 175.900 0.034 0.000 1.267 1057 Y CA -0.131 57.986 58.100 0.030 0.000 1.311 1057 Y CB 1.435 39.913 38.460 0.030 0.000 1.267 1057 Y HN 0.127 nan 8.280 nan 0.000 0.516 1058 G N 1.407 110.331 108.800 0.208 0.000 2.466 1058 G HA2 -0.074 3.867 3.960 -0.032 0.000 0.316 1058 G HA3 -0.074 3.867 3.960 -0.032 0.000 0.316 1058 G C -1.683 173.267 174.900 0.083 0.000 1.270 1058 G CA -0.541 44.628 45.100 0.116 0.000 0.982 1058 G HN 0.748 nan 8.290 nan 0.000 0.506 1059 I N -0.770 119.835 120.570 0.058 0.000 2.822 1059 I HA 0.882 5.032 4.170 -0.032 0.000 0.312 1059 I C 1.021 177.159 176.117 0.036 0.000 1.011 1059 I CA -0.222 61.104 61.300 0.044 0.000 1.105 1059 I CB 1.231 39.252 38.000 0.034 0.000 1.291 1059 I HN 1.687 nan 8.210 nan 0.000 0.474 1060 A N 3.147 125.985 122.820 0.029 0.000 2.115 1060 A HA 0.470 4.771 4.320 -0.032 0.000 0.211 1060 A C 1.338 178.932 177.584 0.016 0.000 1.169 1060 A CA 0.519 52.569 52.037 0.021 0.000 0.787 1060 A CB -0.700 18.312 19.000 0.019 0.000 0.858 1060 A HN 2.010 nan 8.150 nan 0.000 0.474 1061 G N -0.017 108.792 108.800 0.016 0.000 2.520 1061 G HA2 0.131 4.072 3.960 -0.032 0.000 0.264 1061 G HA3 0.131 4.072 3.960 -0.032 0.000 0.264 1061 G C -0.098 174.807 174.900 0.009 0.000 1.140 1061 G CA 0.373 45.480 45.100 0.012 0.000 1.012 1061 G HN 1.728 nan 8.290 nan 0.000 0.511 1062 S N -1.590 114.115 115.700 0.008 0.000 2.587 1062 S HA 0.869 5.320 4.470 -0.032 0.000 0.269 1062 S C -0.559 174.041 174.600 0.001 0.000 1.154 1062 S CA -0.207 57.995 58.200 0.003 0.000 0.824 1062 S CB 2.395 65.595 63.200 0.001 0.000 1.118 1062 S HN 0.876 nan 8.310 nan 0.000 0.462 1063 T N 1.925 116.477 114.554 -0.005 0.000 2.932 1063 T HA 0.598 4.928 4.350 -0.032 0.000 0.289 1063 T C 0.155 174.840 174.700 -0.025 0.000 1.039 1063 T CA -0.621 61.474 62.100 -0.010 0.000 1.024 1063 T CB 1.359 70.223 68.868 -0.006 0.000 1.090 1063 T HN 0.579 nan 8.240 nan 0.000 0.496 1064 N N 0.117 118.795 118.700 -0.038 0.000 2.477 1064 N HA 0.260 4.981 4.740 -0.032 0.000 0.284 1064 N C 1.920 177.377 175.510 -0.089 0.000 1.353 1064 N CA -0.135 52.870 53.050 -0.075 0.000 0.907 1064 N CB -0.350 38.081 38.487 -0.092 0.000 1.096 1064 N HN 0.405 nan 8.380 nan 0.000 0.479 1065 V N -2.177 117.647 119.914 -0.151 0.000 2.300 1065 V HA 0.023 4.123 4.120 -0.032 0.000 0.241 1065 V C 1.814 177.871 176.094 -0.061 0.000 1.034 1065 V CA 2.113 64.333 62.300 -0.133 0.000 1.021 1065 V CB -1.329 30.330 31.823 -0.274 0.000 0.662 1065 V HN 0.756 nan 8.190 nan 0.000 0.458 1066 T N -3.072 111.451 114.554 -0.052 0.000 3.000 1066 T HA 0.542 4.873 4.350 -0.032 0.000 0.248 1066 T C 1.025 175.720 174.700 -0.008 0.000 1.034 1066 T CA 0.664 62.755 62.100 -0.016 0.000 1.060 1066 T CB 0.684 69.551 68.868 -0.002 0.000 0.983 1066 T HN 1.505 nan 8.240 nan 0.000 0.482 1067 G N 0.712 109.505 108.800 -0.012 0.000 2.509 1067 G HA2 0.445 4.385 3.960 -0.032 0.000 0.216 1067 G HA3 0.445 4.385 3.960 -0.032 0.000 0.216 1067 G C -2.191 172.715 174.900 0.010 0.000 3.092 1067 G CA -0.725 44.377 45.100 0.003 0.000 0.700 1067 G HN 0.212 nan 8.290 nan 0.000 0.451 1068 D N -0.129 120.275 120.400 0.006 0.000 2.717 1068 D HA 0.463 5.083 4.640 -0.032 0.000 0.223 1068 D C -0.517 175.791 176.300 0.014 0.000 1.240 1068 D CA -0.442 53.568 54.000 0.017 0.000 0.801 1068 D CB 2.092 42.902 40.800 0.017 0.000 1.556 1068 D HN 0.325 nan 8.370 nan 0.000 0.462 1069 Q N 0.605 120.420 119.800 0.024 0.000 2.278 1069 Q HA 0.535 4.855 4.340 -0.032 0.000 0.257 1069 Q C -1.016 174.999 176.000 0.025 0.000 0.928 1069 Q CA -0.568 55.249 55.803 0.023 0.000 0.932 1069 Q CB 1.563 30.317 28.738 0.028 0.000 1.221 1069 Q HN 0.240 nan 8.270 nan 0.000 0.434 1070 V N 6.142 126.067 119.914 0.019 0.000 2.370 1070 V HA 0.137 4.238 4.120 -0.032 0.000 0.257 1070 V C 0.031 176.142 176.094 0.030 0.000 1.064 1070 V CA -0.476 61.836 62.300 0.020 0.000 0.975 1070 V CB -0.048 31.781 31.823 0.011 0.000 1.067 1070 V HN 0.619 nan 8.190 nan 0.000 0.485 1071 K N 4.211 124.635 120.400 0.039 0.000 2.168 1071 K HA 0.285 4.586 4.320 -0.032 0.000 0.258 1071 K C 1.131 177.758 176.600 0.045 0.000 1.010 1071 K CA -0.376 55.942 56.287 0.052 0.000 0.929 1071 K CB 0.898 33.438 32.500 0.067 0.000 0.998 1071 K HN 0.435 nan 8.250 nan 0.000 0.479 1072 K N 0.906 121.335 120.400 0.049 0.000 2.097 1072 K HA -0.087 4.214 4.320 -0.032 0.000 0.206 1072 K C 1.980 178.594 176.600 0.024 0.000 1.049 1072 K CA 1.067 57.374 56.287 0.033 0.000 0.933 1072 K CB -0.145 32.374 32.500 0.031 0.000 0.717 1072 K HN 0.309 nan 8.250 nan 0.000 0.442 1073 L N 1.209 122.451 121.223 0.032 0.000 2.201 1073 L HA -0.184 4.137 4.340 -0.032 0.000 0.212 1073 L C 1.799 178.686 176.870 0.028 0.000 1.105 1073 L CA 0.886 55.737 54.840 0.018 0.000 0.775 1073 L CB -0.355 41.721 42.059 0.029 0.000 0.913 1073 L HN 0.213 nan 8.230 nan 0.000 0.440 1074 D N -0.272 120.152 120.400 0.041 0.000 2.084 1074 D HA -0.167 4.454 4.640 -0.032 0.000 0.194 1074 D C 2.280 178.603 176.300 0.038 0.000 0.990 1074 D CA 1.336 55.363 54.000 0.045 0.000 0.826 1074 D CB -0.202 40.621 40.800 0.038 0.000 0.971 1074 D HN 0.096 nan 8.370 nan 0.000 0.453 1075 V N 1.445 121.375 119.914 0.027 0.000 2.255 1075 V HA -0.245 3.856 4.120 -0.032 0.000 0.247 1075 V C 2.532 178.638 176.094 0.019 0.000 1.051 1075 V CA 1.370 63.683 62.300 0.022 0.000 1.018 1075 V CB -0.619 31.213 31.823 0.015 0.000 0.641 1075 V HN 0.140 nan 8.190 nan 0.000 0.445 1076 L N 1.358 122.586 121.223 0.009 0.000 1.989 1076 L HA -0.165 4.155 4.340 -0.032 0.000 0.211 1076 L C 2.720 179.589 176.870 -0.002 0.000 1.071 1076 L CA 2.754 57.592 54.840 -0.004 0.000 0.749 1076 L CB -1.087 40.960 42.059 -0.020 0.000 0.890 1076 L HN 0.514 nan 8.230 nan 0.000 0.431 1077 S N -0.904 114.800 115.700 0.008 0.000 2.383 1077 S HA -0.207 4.243 4.470 -0.032 0.000 0.227 1077 S C 1.963 176.588 174.600 0.042 0.000 1.026 1077 S CA 1.244 59.453 58.200 0.016 0.000 0.981 1077 S CB -1.015 62.208 63.200 0.038 0.000 0.818 1077 S HN 0.620 nan 8.310 nan 0.000 0.472 1078 N N 2.202 120.950 118.700 0.079 0.000 2.084 1078 N HA -0.112 4.609 4.740 -0.032 0.000 0.190 1078 N C 1.256 176.823 175.510 0.094 0.000 1.030 1078 N CA 1.872 55.008 53.050 0.143 0.000 0.849 1078 N CB -0.581 37.978 38.487 0.120 0.000 1.012 1078 N HN 0.354 nan 8.380 nan 0.000 0.423 1079 D N 0.205 120.632 120.400 0.045 0.000 2.092 1079 D HA -0.150 4.471 4.640 -0.032 0.000 0.193 1079 D C 2.084 178.376 176.300 -0.013 0.000 0.994 1079 D CA 0.795 54.805 54.000 0.017 0.000 0.828 1079 D CB -0.490 40.313 40.800 0.005 0.000 0.963 1079 D HN 0.290 nan 8.370 nan 0.000 0.450 1080 L N 0.328 121.534 121.223 -0.029 0.000 1.971 1080 L HA -0.206 4.115 4.340 -0.032 0.000 0.215 1080 L C 2.634 179.438 176.870 -0.109 0.000 1.072 1080 L CA 0.946 55.750 54.840 -0.060 0.000 0.758 1080 L CB -0.532 41.493 42.059 -0.056 0.000 0.889 1080 L HN -0.035 nan 8.230 nan 0.000 0.433 1081 V N -0.071 119.750 119.914 -0.155 0.000 2.332 1081 V HA -0.307 3.794 4.120 -0.032 0.000 0.248 1081 V C 2.267 178.172 176.094 -0.316 0.000 1.055 1081 V CA 1.879 63.972 62.300 -0.344 0.000 1.038 1081 V CB -0.366 31.057 31.823 -0.666 0.000 0.651 1081 V HN 0.320 nan 8.190 nan 0.000 0.450 1082 I N 0.321 120.812 120.570 -0.133 0.000 2.142 1082 I HA -0.213 3.938 4.170 -0.032 0.000 0.240 1082 I C 2.403 178.486 176.117 -0.058 0.000 1.078 1082 I CA 1.521 62.812 61.300 -0.016 0.000 1.343 1082 I CB -0.519 37.538 38.000 0.095 0.000 1.046 1082 I HN 0.337 nan 8.210 nan 0.000 0.405 1083 N N 0.629 119.292 118.700 -0.061 0.000 2.104 1083 N HA -0.162 4.558 4.740 -0.032 0.000 0.190 1083 N C 1.887 177.333 175.510 -0.106 0.000 1.024 1083 N CA 1.883 54.889 53.050 -0.073 0.000 0.853 1083 N CB -0.674 37.778 38.487 -0.059 0.000 1.008 1083 N HN 0.446 nan 8.380 nan 0.000 0.424 1084 V N -1.250 118.590 119.914 -0.124 0.000 2.488 1084 V HA 0.018 4.119 4.120 -0.032 0.000 0.246 1084 V C 2.142 178.143 176.094 -0.155 0.000 1.046 1084 V CA 0.917 63.135 62.300 -0.136 0.000 1.053 1084 V CB -0.779 30.962 31.823 -0.136 0.000 0.679 1084 V HN 0.096 nan 8.190 nan 0.000 0.458 1085 L N -0.104 121.019 121.223 -0.167 0.000 2.017 1085 L HA -0.137 4.184 4.340 -0.032 0.000 0.208 1085 L C 2.930 179.728 176.870 -0.120 0.000 1.073 1085 L CA 2.242 56.996 54.840 -0.143 0.000 0.745 1085 L CB -0.639 41.340 42.059 -0.134 0.000 0.894 1085 L HN 0.270 nan 8.230 nan 0.000 0.432 1086 K N -0.115 120.215 120.400 -0.116 0.000 2.103 1086 K HA -0.157 4.143 4.320 -0.032 0.000 0.207 1086 K C 2.120 178.554 176.600 -0.276 0.000 1.048 1086 K CA 1.801 58.005 56.287 -0.138 0.000 0.930 1086 K CB -0.135 32.303 32.500 -0.104 0.000 0.716 1086 K HN 0.384 nan 8.250 nan 0.000 0.444 1087 S N -0.081 115.444 115.700 -0.292 0.000 2.558 1087 S HA -0.030 4.421 4.470 -0.032 0.000 0.217 1087 S C 1.723 176.001 174.600 -0.536 0.000 0.975 1087 S CA 0.620 58.545 58.200 -0.459 0.000 0.912 1087 S CB 0.139 63.183 63.200 -0.261 0.000 0.776 1087 S HN 0.239 nan 8.310 nan 0.000 0.526 1088 S N 1.056 116.577 115.700 -0.300 0.000 2.515 1088 S HA 0.086 4.537 4.470 -0.032 0.000 0.231 1088 S C 0.516 175.144 174.600 0.046 0.000 0.987 1088 S CA -0.128 58.008 58.200 -0.106 0.000 0.936 1088 S CB -1.253 61.909 63.200 -0.064 0.000 0.766 1088 S HN 0.508 nan 8.310 nan 0.000 0.528 1089 F N 0.222 120.178 119.950 0.011 0.000 3.067 1089 F HA -0.229 4.278 4.527 -0.033 0.000 0.279 1089 F C 1.049 176.877 175.800 0.045 0.000 0.945 1089 F CA 0.362 58.376 58.000 0.023 0.000 0.948 1089 F CB -1.921 37.089 39.000 0.016 0.000 0.898 1089 F HN 0.444 nan 8.300 nan 0.000 0.746 1090 A N -1.529 121.389 122.820 0.164 0.000 2.653 1090 A HA 0.491 4.792 4.320 -0.032 0.000 0.248 1090 A C 0.759 178.484 177.584 0.235 0.000 1.211 1090 A CA 0.619 52.786 52.037 0.216 0.000 0.991 1090 A CB 0.363 19.488 19.000 0.208 0.000 1.252 1090 A HN 0.478 nan 8.150 nan 0.000 0.593 1091 T N -3.691 110.948 114.554 0.141 0.000 2.916 1091 T HA 0.496 4.826 4.350 -0.032 0.000 0.292 1091 T C 0.579 175.332 174.700 0.089 0.000 1.055 1091 T CA -0.006 62.175 62.100 0.135 0.000 1.009 1091 T CB 1.470 70.402 68.868 0.106 0.000 1.118 1091 T HN 0.728 nan 8.240 nan 0.000 0.497 1092 C N 0.158 119.509 119.300 0.085 0.000 3.276 1092 C HA 0.641 5.082 4.460 -0.032 0.000 0.512 1092 C C 0.045 175.069 174.990 0.058 0.000 1.376 1092 C CA -0.356 58.696 59.018 0.058 0.000 2.319 1092 C CB -0.563 27.201 27.740 0.040 0.000 3.330 1092 C HN 0.675 nan 8.230 nan 0.000 0.596 1093 V N 2.493 122.453 119.914 0.077 0.000 2.588 1093 V HA 0.609 4.710 4.120 -0.032 0.000 0.304 1093 V C -0.822 175.337 176.094 0.109 0.000 1.042 1093 V CA -0.182 62.163 62.300 0.073 0.000 0.877 1093 V CB 1.798 33.654 31.823 0.056 0.000 0.996 1093 V HN 0.394 nan 8.190 nan 0.000 0.425 1094 L N 4.670 125.954 121.223 0.101 0.000 2.365 1094 L HA 0.742 5.062 4.340 -0.032 0.000 0.273 1094 L C -0.865 176.030 176.870 0.042 0.000 1.000 1094 L CA -0.877 54.051 54.840 0.146 0.000 0.819 1094 L CB 2.221 44.417 42.059 0.227 0.000 1.284 1094 L HN 0.323 nan 8.230 nan 0.000 0.418 1095 V N 1.642 121.547 119.914 -0.015 0.000 2.409 1095 V HA 0.459 4.559 4.120 -0.032 0.000 0.291 1095 V C -0.195 175.579 176.094 -0.534 0.000 1.020 1095 V CA -0.275 61.934 62.300 -0.151 0.000 0.848 1095 V CB 1.859 33.661 31.823 -0.034 0.000 0.990 1095 V HN 0.812 nan 8.190 nan 0.000 0.430 1096 S N 2.728 118.064 115.700 -0.606 0.000 2.482 1096 S HA 0.329 4.779 4.470 -0.032 0.000 0.303 1096 S C 0.943 175.165 174.600 -0.629 0.000 1.091 1096 S CA -0.455 57.154 58.200 -0.985 0.000 1.057 1096 S CB 1.729 64.422 63.200 -0.844 0.000 1.031 1096 S HN 0.912 nan 8.310 nan 0.000 0.485 1097 E N 2.252 121.838 120.200 -1.022 0.000 2.208 1097 E HA -0.220 4.110 4.350 -0.032 0.000 0.202 1097 E C 0.672 177.078 176.600 -0.323 0.000 1.014 1097 E CA 1.562 57.498 56.400 -0.773 0.000 0.819 1097 E CB 0.057 29.384 29.700 -0.623 0.000 0.735 1097 E HN 0.663 nan 8.360 nan 0.000 0.469 1098 E N 0.693 120.744 120.200 -0.248 0.000 2.435 1098 E HA 0.016 4.347 4.350 -0.032 0.000 0.195 1098 E C -0.319 176.220 176.600 -0.102 0.000 1.029 1098 E CA 0.454 56.774 56.400 -0.134 0.000 0.865 1098 E CB 0.120 29.781 29.700 -0.065 0.000 0.833 1098 E HN 0.294 nan 8.360 nan 0.000 0.510 1099 D N 0.463 120.812 120.400 -0.085 0.000 2.391 1099 D HA 0.080 4.701 4.640 -0.032 0.000 0.245 1099 D C 0.866 177.238 176.300 0.121 0.000 1.069 1099 D CA -0.311 53.685 54.000 -0.006 0.000 0.831 1099 D CB 2.261 43.054 40.800 -0.011 0.000 1.204 1099 D HN -0.148 nan 8.370 nan 0.000 0.503 1100 K N 1.975 122.425 120.400 0.083 0.000 2.063 1100 K HA -0.154 4.146 4.320 -0.032 0.000 0.208 1100 K C 0.055 176.787 176.600 0.222 0.000 1.048 1100 K CA 1.195 57.572 56.287 0.150 0.000 0.928 1100 K CB 0.206 32.742 32.500 0.059 0.000 0.713 1100 K HN 0.350 nan 8.250 nan 0.000 0.442 1101 N N -0.922 117.843 118.700 0.108 0.000 2.404 1101 N HA 0.333 5.054 4.740 -0.032 0.000 0.297 1101 N C -1.279 174.242 175.510 0.018 0.000 1.163 1101 N CA -0.543 52.537 53.050 0.050 0.000 0.864 1101 N CB 1.715 40.219 38.487 0.029 0.000 1.247 1101 N HN 0.178 nan 8.380 nan 0.000 0.510 1102 A N 0.854 123.666 122.820 -0.014 0.000 2.448 1102 A HA 0.279 4.580 4.320 -0.032 0.000 0.239 1102 A C -0.327 177.260 177.584 0.004 0.000 1.080 1102 A CA 0.079 52.105 52.037 -0.018 0.000 0.779 1102 A CB -0.006 18.981 19.000 -0.021 0.000 1.026 1102 A HN 0.515 nan 8.150 nan 0.000 0.499 1103 I N 2.168 122.747 120.570 0.015 0.000 2.377 1103 I HA 0.264 4.414 4.170 -0.032 0.000 0.293 1103 I C -0.330 175.806 176.117 0.032 0.000 0.987 1103 I CA -0.507 60.809 61.300 0.027 0.000 1.185 1103 I CB 1.315 39.341 38.000 0.043 0.000 1.341 1103 I HN 0.337 nan 8.210 nan 0.000 0.455 1104 I N 6.922 127.507 120.570 0.025 0.000 2.321 1104 I HA 0.271 4.422 4.170 -0.032 0.000 0.291 1104 I C 0.302 176.434 176.117 0.024 0.000 0.998 1104 I CA -0.777 60.538 61.300 0.025 0.000 1.227 1104 I CB 1.285 39.296 38.000 0.018 0.000 1.368 1104 I HN 0.062 nan 8.210 nan 0.000 0.466 1105 V N 6.269 126.199 119.914 0.027 0.000 2.637 1105 V HA 0.023 4.124 4.120 -0.032 0.000 0.296 1105 V C 0.880 176.985 176.094 0.019 0.000 1.046 1105 V CA -0.725 61.586 62.300 0.019 0.000 1.066 1105 V CB 0.380 32.215 31.823 0.019 0.000 0.968 1105 V HN 0.892 nan 8.190 nan 0.000 0.483 1106 E N 5.890 126.098 120.200 0.012 0.000 2.467 1106 E HA -0.028 4.303 4.350 -0.032 0.000 0.264 1106 E C -1.994 174.625 176.600 0.031 0.000 1.020 1106 E CA -0.947 55.464 56.400 0.019 0.000 0.945 1106 E CB 0.116 29.824 29.700 0.014 0.000 0.942 1106 E HN 0.376 nan 8.360 nan 0.000 0.449 1107 P HA -0.252 nan 4.420 nan 0.000 0.216 1107 P C 0.900 178.237 177.300 0.062 0.000 1.157 1107 P CA 1.431 64.555 63.100 0.040 0.000 0.880 1107 P CB 0.118 31.836 31.700 0.031 0.000 0.791 1108 E N -0.311 119.931 120.200 0.071 0.000 2.118 1108 E HA -0.168 4.163 4.350 -0.032 0.000 0.195 1108 E C 1.332 178.052 176.600 0.200 0.000 0.992 1108 E CA 1.345 57.813 56.400 0.113 0.000 0.804 1108 E CB -0.481 29.288 29.700 0.114 0.000 0.741 1108 E HN 0.330 nan 8.360 nan 0.000 0.458 1109 K N 0.302 120.793 120.400 0.153 0.000 2.446 1109 K HA 0.141 4.442 4.320 -0.032 0.000 0.203 1109 K C 0.186 176.870 176.600 0.141 0.000 1.027 1109 K CA -0.121 56.263 56.287 0.162 0.000 1.166 1109 K CB 0.503 32.925 32.500 -0.130 0.000 0.869 1109 K HN -0.084 nan 8.250 nan 0.000 0.504 1110 R N 0.144 120.724 120.500 0.132 0.000 2.441 1110 R HA 0.295 4.616 4.340 -0.032 0.000 0.284 1110 R C 0.451 176.822 176.300 0.118 0.000 1.070 1110 R CA -0.186 55.972 56.100 0.096 0.000 1.047 1110 R CB 1.231 31.568 30.300 0.062 0.000 1.016 1110 R HN 0.151 nan 8.270 nan 0.000 0.477 1111 G N 0.424 109.285 108.800 0.101 0.000 3.140 1111 G HA2 0.234 4.175 3.960 -0.032 0.000 0.271 1111 G HA3 0.234 4.175 3.960 -0.032 0.000 0.271 1111 G C -0.245 174.669 174.900 0.022 0.000 1.370 1111 G CA -0.692 44.464 45.100 0.094 0.000 1.014 1111 G HN 0.610 nan 8.290 nan 0.000 0.541 1112 K N -1.062 119.288 120.400 -0.084 0.000 2.410 1112 K HA 0.276 4.576 4.320 -0.032 0.000 0.200 1112 K C -0.910 175.483 176.600 -0.345 0.000 1.023 1112 K CA -0.156 55.989 56.287 -0.237 0.000 1.149 1112 K CB 0.038 32.330 32.500 -0.347 0.000 0.859 1112 K HN 0.346 nan 8.250 nan 0.000 0.514 1113 Y N 0.450 120.783 120.300 0.055 0.000 2.457 1113 Y HA 0.369 4.901 4.550 -0.031 0.000 0.333 1113 Y C -0.023 175.928 175.900 0.085 0.000 1.119 1113 Y CA -1.279 56.862 58.100 0.069 0.000 1.143 1113 Y CB 1.842 40.335 38.460 0.056 0.000 1.230 1113 Y HN -0.297 nan 8.280 nan 0.000 0.469 1114 V N 3.668 123.758 119.914 0.293 0.000 2.394 1114 V HA 0.455 4.556 4.120 -0.032 0.000 0.282 1114 V C -0.630 175.633 176.094 0.282 0.000 1.031 1114 V CA -0.796 61.652 62.300 0.247 0.000 0.881 1114 V CB 1.226 33.185 31.823 0.226 0.000 0.982 1114 V HN 0.510 nan 8.190 nan 0.000 0.451 1115 V N 3.898 123.963 119.914 0.251 0.000 2.487 1115 V HA 0.382 4.483 4.120 -0.032 0.000 0.298 1115 V C -0.210 176.083 176.094 0.332 0.000 1.028 1115 V CA -0.510 61.956 62.300 0.278 0.000 0.860 1115 V CB 1.734 33.701 31.823 0.240 0.000 0.991 1115 V HN 0.950 nan 8.190 nan 0.000 0.427 1116 C N 6.473 125.967 119.300 0.324 0.000 2.295 1116 C HA 0.866 5.307 4.460 -0.032 0.000 0.331 1116 C C -0.177 175.039 174.990 0.376 0.000 1.280 1116 C CA -0.705 58.485 59.018 0.287 0.000 1.746 1116 C CB -0.619 27.306 27.740 0.309 0.000 2.328 1116 C HN 0.848 nan 8.230 nan 0.000 0.521 1117 F N 0.717 120.764 119.950 0.161 0.000 2.668 1117 F HA 0.655 5.165 4.527 -0.030 0.000 0.309 1117 F C -1.119 174.657 175.800 -0.039 0.000 1.117 1117 F CA -1.085 56.999 58.000 0.140 0.000 0.951 1117 F CB 1.096 40.169 39.000 0.122 0.000 1.323 1117 F HN 0.315 nan 8.300 nan 0.000 0.451 1118 D N 3.252 123.807 120.400 0.258 0.000 2.460 1118 D HA 0.410 5.031 4.640 -0.032 0.000 0.232 1118 D C -1.903 174.581 176.300 0.307 0.000 1.079 1118 D CA -2.722 51.363 54.000 0.141 0.000 0.864 1118 D CB 1.920 42.853 40.800 0.222 0.000 1.048 1118 D HN 0.269 nan 8.370 nan 0.000 0.523 1119 P HA -0.010 nan 4.420 nan 0.000 0.220 1119 P C 0.059 177.491 177.300 0.220 0.000 1.148 1119 P CA 0.275 63.562 63.100 0.311 0.000 0.803 1119 P CB 0.755 32.629 31.700 0.290 0.000 0.782 1120 L N -0.231 121.102 121.223 0.185 0.000 2.596 1120 L HA 0.440 4.760 4.340 -0.032 0.000 0.265 1120 L C -1.553 175.404 176.870 0.144 0.000 0.962 1120 L CA -0.625 54.322 54.840 0.179 0.000 0.891 1120 L CB 2.021 44.164 42.059 0.139 0.000 1.248 1120 L HN -0.321 nan 8.230 nan 0.000 0.410 1121 D N 3.024 123.511 120.400 0.145 0.000 2.256 1121 D HA 0.736 5.356 4.640 -0.032 0.000 0.246 1121 D C 0.545 176.895 176.300 0.084 0.000 1.042 1121 D CA 0.676 54.740 54.000 0.106 0.000 0.841 1121 D CB 1.628 42.483 40.800 0.090 0.000 1.223 1121 D HN 0.851 nan 8.370 nan 0.000 0.470 1122 G N 1.945 110.789 108.800 0.073 0.000 2.245 1122 G HA2 -0.213 3.728 3.960 -0.032 0.000 0.130 1122 G HA3 -0.213 3.728 3.960 -0.032 0.000 0.130 1122 G C 1.086 176.027 174.900 0.068 0.000 1.040 1122 G CA 0.175 45.310 45.100 0.059 0.000 0.713 1122 G HN 0.432 nan 8.290 nan 0.000 0.488 1123 S N 0.462 116.206 115.700 0.074 0.000 2.378 1123 S HA -0.243 4.207 4.470 -0.032 0.000 0.229 1123 S C 2.772 177.408 174.600 0.060 0.000 1.052 1123 S CA 2.760 61.002 58.200 0.070 0.000 1.084 1123 S CB -0.278 62.962 63.200 0.068 0.000 0.950 1123 S HN 1.732 nan 8.310 nan 0.000 0.440 1124 S N 1.368 117.107 115.700 0.064 0.000 2.469 1124 S HA -0.020 4.430 4.470 -0.032 0.000 0.238 1124 S C 1.289 175.910 174.600 0.036 0.000 0.998 1124 S CA 1.037 59.271 58.200 0.057 0.000 0.957 1124 S CB -0.282 62.967 63.200 0.081 0.000 0.764 1124 S HN 0.381 nan 8.310 nan 0.000 0.514 1125 N N 0.587 119.308 118.700 0.034 0.000 2.230 1125 N HA 0.305 5.026 4.740 -0.032 0.000 0.202 1125 N C 0.998 176.514 175.510 0.010 0.000 1.119 1125 N CA -0.050 53.010 53.050 0.017 0.000 0.851 1125 N CB 0.061 38.557 38.487 0.015 0.000 0.990 1125 N HN 0.345 nan 8.380 nan 0.000 0.497 1126 I N 0.936 121.518 120.570 0.021 0.000 2.163 1126 I HA -0.174 3.976 4.170 -0.032 0.000 0.240 1126 I C 1.270 177.337 176.117 -0.083 0.000 1.081 1126 I CA 1.304 62.627 61.300 0.037 0.000 1.353 1126 I CB -0.723 37.333 38.000 0.092 0.000 1.054 1126 I HN -0.006 nan 8.210 nan 0.000 0.407 1127 D N 0.474 120.772 120.400 -0.170 0.000 2.219 1127 D HA -0.111 4.510 4.640 -0.032 0.000 0.205 1127 D C 1.827 177.919 176.300 -0.346 0.000 0.970 1127 D CA 0.949 54.703 54.000 -0.410 0.000 0.851 1127 D CB -0.139 40.514 40.800 -0.245 0.000 0.943 1127 D HN 0.504 nan 8.370 nan 0.000 0.488 1128 C N -0.563 118.636 119.300 -0.168 0.000 2.614 1128 C HA 0.436 4.877 4.460 -0.032 0.000 0.299 1128 C C 0.994 175.941 174.990 -0.072 0.000 1.293 1128 C CA -0.748 58.203 59.018 -0.110 0.000 1.713 1128 C CB -1.421 26.285 27.740 -0.057 0.000 1.890 1128 C HN 0.163 nan 8.230 nan 0.000 0.602 1129 L N -0.309 120.870 121.223 -0.074 0.000 4.179 1129 L HA -0.164 4.157 4.340 -0.032 0.000 0.418 1129 L C 0.552 177.433 176.870 0.019 0.000 1.168 1129 L CA 0.586 55.428 54.840 0.003 0.000 0.972 1129 L CB -2.260 39.808 42.059 0.014 0.000 2.005 1129 L HN 0.488 nan 8.230 nan 0.000 0.935 1130 V N -0.724 119.195 119.914 0.009 0.000 2.953 1130 V HA 0.308 4.409 4.120 -0.032 0.000 0.304 1130 V C 1.308 177.422 176.094 0.033 0.000 1.073 1130 V CA -0.239 62.070 62.300 0.015 0.000 1.064 1130 V CB 1.684 33.508 31.823 0.001 0.000 1.047 1130 V HN 0.350 nan 8.190 nan 0.000 0.478 1131 S N 3.800 119.516 115.700 0.026 0.000 2.642 1131 S HA 0.148 4.598 4.470 -0.032 0.000 0.308 1131 S C -0.145 174.480 174.600 0.043 0.000 1.255 1131 S CA 0.294 58.515 58.200 0.035 0.000 1.057 1131 S CB -0.513 62.682 63.200 -0.008 0.000 0.785 1131 S HN 0.550 nan 8.310 nan 0.000 0.500 1132 I N -0.616 120.018 120.570 0.107 0.000 3.322 1132 I HA 1.060 5.210 4.170 -0.032 0.000 0.313 1132 I C 0.271 176.480 176.117 0.153 0.000 1.129 1132 I CA -1.150 60.230 61.300 0.133 0.000 0.963 1132 I CB 2.065 40.177 38.000 0.187 0.000 1.273 1132 I HN 0.638 nan 8.210 nan 0.000 0.473 1133 G N -0.022 108.862 108.800 0.140 0.000 2.619 1133 G HA2 0.622 4.563 3.960 -0.032 0.000 0.305 1133 G HA3 0.622 4.563 3.960 -0.032 0.000 0.305 1133 G C -1.754 173.222 174.900 0.127 0.000 1.330 1133 G CA -0.566 44.501 45.100 -0.056 0.000 0.789 1133 G HN 0.652 nan 8.290 nan 0.000 0.487 1134 T N 0.596 115.184 114.554 0.057 0.000 2.848 1134 T HA 0.634 4.964 4.350 -0.032 0.000 0.285 1134 T C -0.477 174.366 174.700 0.238 0.000 0.995 1134 T CA -0.096 62.125 62.100 0.201 0.000 0.970 1134 T CB 1.144 70.157 68.868 0.242 0.000 0.976 1134 T HN 0.444 nan 8.240 nan 0.000 0.441 1135 I N 4.177 124.911 120.570 0.274 0.000 2.474 1135 I HA 0.700 4.850 4.170 -0.032 0.000 0.294 1135 I C -0.874 175.462 176.117 0.366 0.000 1.005 1135 I CA -1.157 60.298 61.300 0.258 0.000 1.113 1135 I CB 1.505 39.608 38.000 0.171 0.000 1.289 1135 I HN 0.630 nan 8.210 nan 0.000 0.436 1136 F N 2.673 122.713 119.950 0.151 0.000 2.601 1136 F HA 0.928 5.436 4.527 -0.032 0.000 0.309 1136 F C -0.397 175.439 175.800 0.060 0.000 1.089 1136 F CA -0.996 57.087 58.000 0.138 0.000 0.940 1136 F CB 1.555 40.594 39.000 0.064 0.000 1.273 1136 F HN 0.417 nan 8.300 nan 0.000 0.450 1137 G N 3.696 112.574 108.800 0.130 0.000 2.609 1137 G HA2 0.666 4.607 3.960 -0.032 0.000 0.308 1137 G HA3 0.666 4.607 3.960 -0.032 0.000 0.308 1137 G C -1.656 173.188 174.900 -0.093 0.000 1.369 1137 G CA -0.844 44.191 45.100 -0.109 0.000 0.958 1137 G HN 0.666 nan 8.290 nan 0.000 0.499 1138 I N 2.088 122.513 120.570 -0.241 0.000 2.436 1138 I HA 0.373 4.523 4.170 -0.032 0.000 0.289 1138 I C -1.094 174.867 176.117 -0.260 0.000 1.010 1138 I CA -0.808 60.417 61.300 -0.125 0.000 1.098 1138 I CB 1.657 39.627 38.000 -0.050 0.000 1.266 1138 I HN 0.378 nan 8.210 nan 0.000 0.434 1139 Y N 4.253 124.630 120.300 0.127 0.000 2.468 1139 Y HA 0.469 5.000 4.550 -0.031 0.000 0.342 1139 Y C 0.632 176.656 175.900 0.207 0.000 1.021 1139 Y CA -0.781 57.389 58.100 0.116 0.000 1.079 1139 Y CB 1.549 40.044 38.460 0.058 0.000 1.226 1139 Y HN 0.413 nan 8.280 nan 0.000 0.460 1140 R N 2.350 123.039 120.500 0.314 0.000 2.389 1140 R HA 0.152 4.473 4.340 -0.032 0.000 0.295 1140 R C -0.200 176.135 176.300 0.058 0.000 1.075 1140 R CA -0.614 55.543 56.100 0.095 0.000 1.005 1140 R CB 0.572 30.885 30.300 0.022 0.000 0.987 1140 R HN 0.663 nan 8.270 nan 0.000 0.452 1141 K N 4.188 124.578 120.400 -0.016 0.000 2.378 1141 K HA -0.019 4.282 4.320 -0.032 0.000 0.288 1141 K C 0.080 176.661 176.600 -0.031 0.000 1.057 1141 K CA -0.240 56.038 56.287 -0.014 0.000 0.971 1141 K CB 0.590 33.079 32.500 -0.020 0.000 0.975 1141 K HN 0.540 nan 8.250 nan 0.000 0.475 1142 N N 1.702 120.390 118.700 -0.021 0.000 2.148 1142 N HA -0.116 4.604 4.740 -0.032 0.000 0.186 1142 N C 0.410 175.906 175.510 -0.023 0.000 1.031 1142 N CA 0.913 53.951 53.050 -0.021 0.000 0.848 1142 N CB -0.430 38.047 38.487 -0.017 0.000 1.005 1142 N HN 0.782 nan 8.380 nan 0.000 0.427 1143 S N 0.161 115.846 115.700 -0.024 0.000 2.555 1143 S HA -0.051 4.399 4.470 -0.032 0.000 0.264 1143 S C 1.311 175.899 174.600 -0.020 0.000 1.378 1143 S CA 0.861 59.048 58.200 -0.022 0.000 0.996 1143 S CB 0.471 63.657 63.200 -0.022 0.000 0.869 1143 S HN 0.500 nan 8.310 nan 0.000 0.546 1144 T N -3.384 111.160 114.554 -0.016 0.000 2.975 1144 T HA 0.195 4.526 4.350 -0.032 0.000 0.261 1144 T C 0.005 174.698 174.700 -0.011 0.000 0.984 1144 T CA 0.145 62.236 62.100 -0.014 0.000 0.911 1144 T CB -0.454 68.406 68.868 -0.013 0.000 1.127 1144 T HN 0.765 nan 8.240 nan 0.000 0.514 1145 D N 1.553 121.946 120.400 -0.011 0.000 2.398 1145 D HA 0.189 4.810 4.640 -0.032 0.000 0.247 1145 D C 0.104 176.400 176.300 -0.007 0.000 1.227 1145 D CA -0.577 53.417 54.000 -0.009 0.000 0.980 1145 D CB 0.372 41.166 40.800 -0.009 0.000 1.106 1145 D HN 0.016 nan 8.370 nan 0.000 0.493 1146 E N 0.772 120.969 120.200 -0.005 0.000 2.452 1146 E HA 0.078 4.408 4.350 -0.032 0.000 0.261 1146 E C -1.784 174.814 176.600 -0.002 0.000 0.987 1146 E CA -0.988 55.411 56.400 -0.002 0.000 0.926 1146 E CB -0.198 29.502 29.700 0.000 0.000 0.934 1146 E HN 0.377 nan 8.360 nan 0.000 0.452 1147 P HA -0.054 nan 4.420 nan 0.000 0.265 1147 P C -0.427 176.874 177.300 0.002 0.000 1.193 1147 P CA 0.280 63.382 63.100 0.003 0.000 0.765 1147 P CB 0.671 32.377 31.700 0.011 0.000 0.823 1148 S N -0.031 115.668 115.700 -0.002 0.000 2.643 1148 S HA 0.177 4.628 4.470 -0.032 0.000 0.270 1148 S C 0.989 175.582 174.600 -0.011 0.000 1.166 1148 S CA -0.708 57.489 58.200 -0.005 0.000 0.815 1148 S CB 1.382 64.576 63.200 -0.009 0.000 1.139 1148 S HN 0.409 nan 8.310 nan 0.000 0.472 1149 E N 0.884 121.074 120.200 -0.016 0.000 2.130 1149 E HA -0.199 4.132 4.350 -0.032 0.000 0.196 1149 E C 1.344 177.920 176.600 -0.040 0.000 0.998 1149 E CA 1.534 57.917 56.400 -0.027 0.000 0.806 1149 E CB -0.140 29.542 29.700 -0.030 0.000 0.738 1149 E HN 0.526 nan 8.360 nan 0.000 0.459 1150 K N 0.644 121.021 120.400 -0.038 0.000 2.173 1150 K HA -0.205 4.096 4.320 -0.032 0.000 0.207 1150 K C 1.595 178.157 176.600 -0.065 0.000 1.046 1150 K CA 1.410 57.667 56.287 -0.049 0.000 0.929 1150 K CB -0.280 32.197 32.500 -0.039 0.000 0.720 1150 K HN 0.342 nan 8.250 nan 0.000 0.453 1151 D N 0.470 120.839 120.400 -0.051 0.000 2.263 1151 D HA -0.113 4.508 4.640 -0.032 0.000 0.208 1151 D C 1.585 177.829 176.300 -0.093 0.000 0.971 1151 D CA 0.944 54.910 54.000 -0.057 0.000 0.867 1151 D CB 0.124 40.912 40.800 -0.020 0.000 0.929 1151 D HN 0.220 nan 8.370 nan 0.000 0.492 1152 A N 0.273 123.044 122.820 -0.082 0.000 2.132 1152 A HA 0.070 4.370 4.320 -0.032 0.000 0.213 1152 A C 1.571 179.041 177.584 -0.190 0.000 1.154 1152 A CA -0.033 51.944 52.037 -0.099 0.000 0.753 1152 A CB -0.174 18.810 19.000 -0.027 0.000 0.826 1152 A HN 0.148 nan 8.150 nan 0.000 0.469 1153 L N 1.394 122.517 121.223 -0.167 0.000 2.727 1153 L HA 0.132 4.452 4.340 -0.032 0.000 0.237 1153 L C -0.110 176.633 176.870 -0.211 0.000 1.370 1153 L CA -0.082 54.661 54.840 -0.161 0.000 1.248 1153 L CB -0.529 41.467 42.059 -0.106 0.000 1.556 1153 L HN 0.440 nan 8.230 nan 0.000 0.420 1154 Q N 1.632 121.210 119.800 -0.369 0.000 2.257 1154 Q HA 0.457 4.777 4.340 -0.032 0.000 0.262 1154 Q C -2.267 173.563 176.000 -0.283 0.000 0.997 1154 Q CA -2.110 53.455 55.803 -0.398 0.000 0.873 1154 Q CB 1.887 30.217 28.738 -0.681 0.000 1.312 1154 Q HN 0.071 nan 8.270 nan 0.000 0.450 1155 P HA -0.046 nan 4.420 nan 0.000 0.271 1155 P C 0.366 177.736 177.300 0.118 0.000 1.218 1155 P CA 0.174 63.270 63.100 -0.007 0.000 0.780 1155 P CB 0.679 32.384 31.700 0.009 0.000 0.901 1156 G N 3.012 111.906 108.800 0.157 0.000 2.499 1156 G HA2 -0.256 3.684 3.960 -0.032 0.000 0.221 1156 G HA3 -0.256 3.684 3.960 -0.032 0.000 0.221 1156 G C 1.533 176.541 174.900 0.180 0.000 1.109 1156 G CA 0.178 45.405 45.100 0.211 0.000 0.749 1156 G HN 0.423 nan 8.290 nan 0.000 0.568 1157 R N 0.455 121.046 120.500 0.152 0.000 2.200 1157 R HA -0.043 4.278 4.340 -0.032 0.000 0.234 1157 R C 1.465 177.856 176.300 0.151 0.000 1.127 1157 R CA 0.848 57.036 56.100 0.146 0.000 0.989 1157 R CB -0.399 29.963 30.300 0.103 0.000 0.869 1157 R HN 0.306 nan 8.270 nan 0.000 0.459 1158 N N 0.389 119.205 118.700 0.192 0.000 2.398 1158 N HA 0.036 4.756 4.740 -0.032 0.000 0.188 1158 N C 0.279 175.921 175.510 0.220 0.000 1.122 1158 N CA 0.090 53.269 53.050 0.216 0.000 0.866 1158 N CB 0.072 38.680 38.487 0.202 0.000 0.970 1158 N HN 0.119 nan 8.380 nan 0.000 0.462 1159 L N 0.607 121.817 121.223 -0.021 0.000 2.540 1159 L HA -0.036 4.284 4.340 -0.032 0.000 0.276 1159 L C 1.353 177.977 176.870 -0.409 0.000 1.212 1159 L CA -0.084 54.418 54.840 -0.563 0.000 0.893 1159 L CB 0.890 42.295 42.059 -1.090 0.000 1.138 1159 L HN -0.062 nan 8.230 nan 0.000 0.491 1160 V N 3.297 123.052 119.914 -0.266 0.000 3.307 1160 V HA 0.248 4.349 4.120 -0.032 0.000 0.253 1160 V C 0.606 176.660 176.094 -0.067 0.000 1.149 1160 V CA 1.003 63.266 62.300 -0.061 0.000 1.112 1160 V CB 0.426 32.305 31.823 0.093 0.000 0.777 1160 V HN 0.844 nan 8.190 nan 0.000 0.464 1161 A N -0.593 122.097 122.820 -0.217 0.000 2.555 1161 A HA 0.882 5.182 4.320 -0.032 0.000 0.297 1161 A C -0.945 176.530 177.584 -0.181 0.000 1.060 1161 A CA 0.218 52.215 52.037 -0.066 0.000 0.710 1161 A CB 1.485 20.494 19.000 0.013 0.000 1.282 1161 A HN 0.631 nan 8.150 nan 0.000 0.399 1162 A N 0.412 123.183 122.820 -0.081 0.000 2.606 1162 A HA 1.047 5.348 4.320 -0.032 0.000 0.293 1162 A C -0.029 177.244 177.584 -0.517 0.000 1.082 1162 A CA 0.087 51.921 52.037 -0.337 0.000 0.685 1162 A CB 1.301 20.177 19.000 -0.207 0.000 1.284 1162 A HN 2.752 nan 8.150 nan 0.000 0.408 1163 G N -0.923 107.176 108.800 -1.167 0.000 2.335 1163 G HA2 0.675 4.615 3.960 -0.032 0.000 0.291 1163 G HA3 0.675 4.615 3.960 -0.032 0.000 0.291 1163 G C -1.587 172.887 174.900 -0.710 0.000 1.261 1163 G CA 0.345 44.945 45.100 -0.834 0.000 0.871 1163 G HN 2.192 nan 8.290 nan 0.000 0.491 1164 Y N -2.334 117.835 120.300 -0.219 0.000 2.609 1164 Y HA 0.840 5.370 4.550 -0.034 0.000 0.336 1164 Y C -0.247 175.649 175.900 -0.006 0.000 1.129 1164 Y CA -1.418 56.655 58.100 -0.045 0.000 1.040 1164 Y CB 1.246 39.642 38.460 -0.107 0.000 1.310 1164 Y HN 1.291 nan 8.280 nan 0.000 0.460 1165 A N 2.567 125.447 122.820 0.100 0.000 2.276 1165 A HA 0.653 4.953 4.320 -0.032 0.000 0.316 1165 A C -1.544 175.824 177.584 -0.360 0.000 1.229 1165 A CA -0.627 51.316 52.037 -0.157 0.000 0.851 1165 A CB 0.725 19.588 19.000 -0.228 0.000 1.165 1165 A HN 0.888 nan 8.150 nan 0.000 0.513 1166 L N 3.501 124.569 121.223 -0.259 0.000 2.276 1166 L HA 0.549 4.869 4.340 -0.032 0.000 0.286 1166 L C -1.343 175.350 176.870 -0.295 0.000 1.024 1166 L CA -0.283 54.383 54.840 -0.290 0.000 0.826 1166 L CB 0.356 42.317 42.059 -0.164 0.000 1.211 1166 L HN 0.584 nan 8.230 nan 0.000 0.422 1167 Y N 5.381 125.707 120.300 0.043 0.000 2.667 1167 Y HA 0.513 5.043 4.550 -0.034 0.000 0.340 1167 Y C 1.090 176.999 175.900 0.015 0.000 1.303 1167 Y CA -0.193 57.929 58.100 0.035 0.000 1.769 1167 Y CB -0.401 38.085 38.460 0.043 0.000 1.804 1167 Y HN 0.707 nan 8.280 nan 0.000 0.451 1168 G N 0.345 109.199 108.800 0.089 0.000 3.075 1168 G HA2 0.154 4.094 3.960 -0.032 0.000 0.156 1168 G HA3 0.154 4.094 3.960 -0.032 0.000 0.156 1168 G C 1.076 176.008 174.900 0.052 0.000 1.403 1168 G CA 0.034 45.162 45.100 0.047 0.000 1.033 1168 G HN 0.370 nan 8.290 nan 0.000 0.589 1169 S N -0.711 115.009 115.700 0.032 0.000 2.428 1169 S HA 0.401 4.851 4.470 -0.032 0.000 0.230 1169 S C 0.992 175.612 174.600 0.033 0.000 1.014 1169 S CA 1.001 59.221 58.200 0.032 0.000 0.957 1169 S CB -0.207 63.010 63.200 0.028 0.000 0.784 1169 S HN 1.131 nan 8.310 nan 0.000 0.499 1170 A N 0.591 123.430 122.820 0.030 0.000 2.430 1170 A HA 0.712 5.013 4.320 -0.032 0.000 0.300 1170 A C -0.391 177.222 177.584 0.048 0.000 1.124 1170 A CA -0.702 51.354 52.037 0.032 0.000 0.766 1170 A CB 1.197 20.210 19.000 0.021 0.000 1.328 1170 A HN 0.170 nan 8.150 nan 0.000 0.424 1171 T N 1.530 116.127 114.554 0.072 0.000 2.767 1171 T HA 0.540 4.870 4.350 -0.032 0.000 0.288 1171 T C -0.401 174.365 174.700 0.110 0.000 0.963 1171 T CA 0.278 62.454 62.100 0.126 0.000 1.019 1171 T CB 0.391 69.393 68.868 0.224 0.000 0.923 1171 T HN 0.591 nan 8.240 nan 0.000 0.468 1172 M N 4.343 123.974 119.600 0.053 0.000 2.393 1172 M HA 0.547 5.007 4.480 -0.032 0.000 0.299 1172 M C -1.859 174.449 176.300 0.014 0.000 1.103 1172 M CA -0.954 54.370 55.300 0.040 0.000 0.910 1172 M CB 1.703 34.237 32.600 -0.110 0.000 1.659 1172 M HN 0.364 nan 8.290 nan 0.000 0.445 1173 L N 6.024 127.291 121.223 0.074 0.000 2.294 1173 L HA 0.609 4.930 4.340 -0.032 0.000 0.283 1173 L C -1.618 175.212 176.870 -0.068 0.000 1.015 1173 L CA -0.539 54.254 54.840 -0.079 0.000 0.831 1173 L CB 1.289 43.158 42.059 -0.316 0.000 1.217 1173 L HN 0.589 nan 8.230 nan 0.000 0.420 1174 V N 6.453 126.167 119.914 -0.333 0.000 2.394 1174 V HA 0.406 4.506 4.120 -0.032 0.000 0.282 1174 V C -0.197 175.721 176.094 -0.293 0.000 1.031 1174 V CA -0.614 61.440 62.300 -0.409 0.000 0.881 1174 V CB 1.921 33.235 31.823 -0.849 0.000 0.982 1174 V HN 0.604 nan 8.190 nan 0.000 0.451 1175 L N 5.429 126.613 121.223 -0.065 0.000 2.376 1175 L HA 0.920 5.241 4.340 -0.032 0.000 0.275 1175 L C -0.119 176.774 176.870 0.039 0.000 0.987 1175 L CA -0.222 54.639 54.840 0.035 0.000 0.828 1175 L CB 1.588 43.749 42.059 0.171 0.000 1.249 1175 L HN 0.684 nan 8.230 nan 0.000 0.409 1176 A N 6.300 129.142 122.820 0.038 0.000 2.330 1176 A HA 0.913 5.214 4.320 -0.032 0.000 0.327 1176 A C -0.615 177.098 177.584 0.214 0.000 1.155 1176 A CA -0.544 51.530 52.037 0.061 0.000 0.803 1176 A CB 0.957 19.928 19.000 -0.047 0.000 1.208 1176 A HN 0.827 nan 8.150 nan 0.000 0.477 1177 M N 1.394 121.098 119.600 0.173 0.000 2.846 1177 M HA 0.281 4.741 4.480 -0.032 0.000 0.282 1177 M C 1.132 177.532 176.300 0.167 0.000 1.266 1177 M CA -0.668 54.771 55.300 0.233 0.000 0.766 1177 M CB 1.672 34.384 32.600 0.187 0.000 1.739 1177 M HN 0.464 nan 8.290 nan 0.000 0.442 1178 V N 1.097 121.118 119.914 0.178 0.000 2.380 1178 V HA -0.285 3.815 4.120 -0.032 0.000 0.251 1178 V C 1.150 177.280 176.094 0.059 0.000 1.063 1178 V CA 2.680 65.057 62.300 0.128 0.000 1.055 1178 V CB -0.576 31.316 31.823 0.114 0.000 0.657 1178 V HN 0.839 nan 8.190 nan 0.000 0.455 1179 N N -0.599 118.140 118.700 0.064 0.000 2.412 1179 N HA 0.389 5.110 4.740 -0.032 0.000 0.184 1179 N C 0.416 175.946 175.510 0.034 0.000 1.101 1179 N CA 0.463 53.539 53.050 0.044 0.000 0.881 1179 N CB 0.608 39.124 38.487 0.049 0.000 0.969 1179 N HN 0.658 nan 8.380 nan 0.000 0.459 1180 G N -0.378 108.438 108.800 0.026 0.000 2.356 1180 G HA2 0.133 4.074 3.960 -0.032 0.000 0.288 1180 G HA3 0.133 4.074 3.960 -0.032 0.000 0.288 1180 G C -1.931 172.971 174.900 0.005 0.000 1.302 1180 G CA -0.869 44.231 45.100 -0.001 0.000 0.887 1180 G HN -0.100 nan 8.290 nan 0.000 0.521 1181 V N 1.606 121.503 119.914 -0.027 0.000 2.459 1181 V HA 0.661 4.761 4.120 -0.032 0.000 0.295 1181 V C -0.515 175.519 176.094 -0.101 0.000 1.029 1181 V CA -0.984 61.282 62.300 -0.056 0.000 0.874 1181 V CB 1.613 33.389 31.823 -0.078 0.000 0.985 1181 V HN 0.659 nan 8.190 nan 0.000 0.438 1182 N N 2.117 120.719 118.700 -0.163 0.000 2.225 1182 N HA 0.493 5.213 4.740 -0.032 0.000 0.298 1182 N C -1.396 173.807 175.510 -0.510 0.000 1.076 1182 N CA -0.375 52.423 53.050 -0.419 0.000 0.792 1182 N CB 2.280 40.330 38.487 -0.729 0.000 1.498 1182 N HN 0.561 nan 8.380 nan 0.000 0.474 1183 C N 1.841 120.790 119.300 -0.584 0.000 2.329 1183 C HA 0.619 5.060 4.460 -0.032 0.000 0.329 1183 C C -0.420 174.196 174.990 -0.624 0.000 1.275 1183 C CA -0.680 58.096 59.018 -0.403 0.000 1.726 1183 C CB -1.166 26.479 27.740 -0.158 0.000 2.291 1183 C HN 0.551 nan 8.230 nan 0.000 0.514 1184 F N 2.725 122.622 119.950 -0.088 0.000 2.493 1184 F HA 0.561 5.067 4.527 -0.036 0.000 0.329 1184 F C 0.178 176.038 175.800 0.100 0.000 1.126 1184 F CA -0.642 57.355 58.000 -0.004 0.000 0.937 1184 F CB 1.217 40.223 39.000 0.009 0.000 1.146 1184 F HN 0.450 nan 8.300 nan 0.000 0.442 1185 M N 4.638 124.373 119.600 0.225 0.000 2.238 1185 M HA 0.486 4.947 4.480 -0.032 0.000 0.350 1185 M C -1.186 175.164 176.300 0.085 0.000 1.138 1185 M CA -1.212 54.179 55.300 0.151 0.000 1.040 1185 M CB 1.191 33.825 32.600 0.056 0.000 1.639 1185 M HN 0.627 nan 8.290 nan 0.000 0.451 1186 L N 5.191 126.405 121.223 -0.017 0.000 2.477 1186 L HA 0.152 4.473 4.340 -0.032 0.000 0.272 1186 L C -0.455 176.296 176.870 -0.199 0.000 1.157 1186 L CA 0.701 55.322 54.840 -0.364 0.000 0.889 1186 L CB 0.204 42.001 42.059 -0.438 0.000 1.158 1186 L HN 0.603 nan 8.230 nan 0.000 0.473 1187 D N 7.475 127.753 120.400 -0.203 0.000 2.374 1187 D HA 0.182 4.803 4.640 -0.032 0.000 0.240 1187 D C -1.805 174.415 176.300 -0.133 0.000 1.229 1187 D CA -1.847 52.081 54.000 -0.122 0.000 0.895 1187 D CB 1.567 42.317 40.800 -0.084 0.000 1.046 1187 D HN 0.407 nan 8.370 nan 0.000 0.498 1188 P HA -0.097 nan 4.420 nan 0.000 0.218 1188 P C 0.932 178.188 177.300 -0.073 0.000 1.148 1188 P CA 0.937 63.983 63.100 -0.089 0.000 0.822 1188 P CB 0.293 31.958 31.700 -0.058 0.000 0.784 1189 A N -0.243 122.542 122.820 -0.060 0.000 1.929 1189 A HA -0.088 4.213 4.320 -0.032 0.000 0.216 1189 A C 1.957 179.512 177.584 -0.049 0.000 1.176 1189 A CA 1.579 53.588 52.037 -0.046 0.000 0.628 1189 A CB -1.201 17.778 19.000 -0.035 0.000 0.816 1189 A HN 0.372 nan 8.150 nan 0.000 0.444 1190 I N -5.581 114.953 120.570 -0.059 0.000 4.154 1190 I HA 0.505 4.656 4.170 -0.032 0.000 0.334 1190 I C 1.018 177.091 176.117 -0.073 0.000 1.371 1190 I CA 0.334 61.602 61.300 -0.053 0.000 1.110 1190 I CB 0.136 38.112 38.000 -0.039 0.000 1.085 1190 I HN 0.293 nan 8.210 nan 0.000 0.398 1191 G N 2.204 110.937 108.800 -0.111 0.000 2.350 1191 G HA2 -0.199 3.741 3.960 -0.032 0.000 0.298 1191 G HA3 -0.199 3.741 3.960 -0.032 0.000 0.298 1191 G C -0.395 174.400 174.900 -0.175 0.000 1.037 1191 G CA 0.200 45.206 45.100 -0.156 0.000 1.074 1191 G HN 0.558 nan 8.290 nan 0.000 0.511 1192 E N -0.940 119.132 120.200 -0.213 0.000 2.293 1192 E HA 0.536 4.867 4.350 -0.032 0.000 0.270 1192 E C -0.449 175.996 176.600 -0.258 0.000 0.879 1192 E CA -0.911 55.397 56.400 -0.152 0.000 0.756 1192 E CB 1.244 30.920 29.700 -0.041 0.000 1.208 1192 E HN 0.115 nan 8.360 nan 0.000 0.428 1193 F N 1.921 121.867 119.950 -0.008 0.000 2.424 1193 F HA 0.352 4.873 4.527 -0.011 0.000 0.356 1193 F C 0.671 176.529 175.800 0.098 0.000 1.110 1193 F CA -0.262 57.755 58.000 0.028 0.000 1.161 1193 F CB 0.431 39.412 39.000 -0.031 0.000 1.115 1193 F HN 0.165 nan 8.300 nan 0.000 0.507 1194 I N 4.391 125.118 120.570 0.263 0.000 2.441 1194 I HA 0.229 4.379 4.170 -0.032 0.000 0.295 1194 I C -0.605 175.665 176.117 0.254 0.000 0.994 1194 I CA -1.258 60.183 61.300 0.235 0.000 1.144 1194 I CB 1.769 39.831 38.000 0.103 0.000 1.314 1194 I HN 0.328 nan 8.210 nan 0.000 0.445 1195 L N 7.619 128.978 121.223 0.226 0.000 2.562 1195 L HA 0.066 4.386 4.340 -0.032 0.000 0.271 1195 L C 0.690 177.478 176.870 -0.137 0.000 1.167 1195 L CA 0.632 55.390 54.840 -0.136 0.000 0.917 1195 L CB 0.796 42.781 42.059 -0.123 0.000 1.187 1195 L HN 0.585 nan 8.230 nan 0.000 0.482 1196 V N -0.227 119.564 119.914 -0.206 0.000 3.562 1196 V HA 0.497 4.598 4.120 -0.032 0.000 0.270 1196 V C -0.086 175.926 176.094 -0.137 0.000 1.418 1196 V CA 0.033 62.264 62.300 -0.115 0.000 1.033 1196 V CB 0.347 32.136 31.823 -0.056 0.000 0.820 1196 V HN 0.708 nan 8.190 nan 0.000 0.441 1197 D N 1.612 121.872 120.400 -0.233 0.000 2.855 1197 D HA 0.433 5.053 4.640 -0.032 0.000 0.241 1197 D C -1.055 175.081 176.300 -0.273 0.000 1.277 1197 D CA -0.134 53.749 54.000 -0.194 0.000 0.918 1197 D CB 2.840 43.556 40.800 -0.141 0.000 1.462 1197 D HN 0.300 nan 8.370 nan 0.000 0.559 1198 R N 1.768 122.160 120.500 -0.180 0.000 2.514 1198 R HA 0.243 4.564 4.340 -0.032 0.000 0.301 1198 R C -0.622 175.623 176.300 -0.091 0.000 0.962 1198 R CA -0.231 55.770 56.100 -0.166 0.000 0.882 1198 R CB 0.845 31.097 30.300 -0.080 0.000 1.143 1198 R HN 0.256 nan 8.270 nan 0.000 0.452 1199 D N 2.275 122.635 120.400 -0.068 0.000 2.697 1199 D HA -0.141 4.479 4.640 -0.032 0.000 0.238 1199 D C -0.899 175.376 176.300 -0.042 0.000 1.152 1199 D CA 0.600 54.584 54.000 -0.026 0.000 0.666 1199 D CB -0.494 40.310 40.800 0.008 0.000 1.037 1199 D HN 0.236 nan 8.370 nan 0.000 0.423 1200 V N 2.012 121.886 119.914 -0.066 0.000 2.585 1200 V HA 0.085 4.185 4.120 -0.032 0.000 0.296 1200 V C 0.948 177.015 176.094 -0.045 0.000 1.035 1200 V CA 0.398 62.662 62.300 -0.060 0.000 1.084 1200 V CB 1.209 32.987 31.823 -0.075 0.000 0.953 1200 V HN 0.091 nan 8.190 nan 0.000 0.483 1201 K N 5.031 125.411 120.400 -0.034 0.000 2.397 1201 K HA 0.524 4.824 4.320 -0.032 0.000 0.253 1201 K C -0.483 176.105 176.600 -0.020 0.000 0.932 1201 K CA -0.721 55.550 56.287 -0.026 0.000 0.795 1201 K CB 2.903 35.393 32.500 -0.018 0.000 1.159 1201 K HN 0.607 nan 8.250 nan 0.000 0.424 1202 I N 1.953 122.514 120.570 -0.016 0.000 2.638 1202 I HA 0.032 4.183 4.170 -0.032 0.000 0.286 1202 I C 0.244 176.365 176.117 0.006 0.000 1.088 1202 I CA -0.192 61.105 61.300 -0.005 0.000 1.397 1202 I CB 0.662 38.662 38.000 0.001 0.000 1.414 1202 I HN 0.397 nan 8.210 nan 0.000 0.566 1203 K N 5.419 125.827 120.400 0.014 0.000 2.469 1203 K HA -0.003 4.298 4.320 -0.032 0.000 0.274 1203 K C 0.850 177.465 176.600 0.025 0.000 0.983 1203 K CA -0.301 55.995 56.287 0.016 0.000 0.974 1203 K CB 0.462 32.971 32.500 0.015 0.000 0.913 1203 K HN 0.437 nan 8.250 nan 0.000 0.493 1204 K N 1.742 122.157 120.400 0.025 0.000 2.148 1204 K HA -0.070 4.231 4.320 -0.032 0.000 0.204 1204 K C 0.295 176.927 176.600 0.053 0.000 1.050 1204 K CA 1.332 57.640 56.287 0.034 0.000 0.942 1204 K CB 0.069 32.586 32.500 0.029 0.000 0.724 1204 K HN 0.406 nan 8.250 nan 0.000 0.446 1205 K N -0.412 120.018 120.400 0.051 0.000 2.501 1205 K HA 0.391 4.692 4.320 -0.032 0.000 0.252 1205 K C -0.474 176.149 176.600 0.039 0.000 0.934 1205 K CA -0.430 55.901 56.287 0.074 0.000 0.797 1205 K CB 2.041 34.591 32.500 0.083 0.000 1.270 1205 K HN 0.085 nan 8.250 nan 0.000 0.431 1206 G N -0.155 108.670 108.800 0.042 0.000 3.119 1206 G HA2 0.404 4.345 3.960 -0.032 0.000 0.206 1206 G HA3 0.404 4.345 3.960 -0.032 0.000 0.206 1206 G C -0.392 174.309 174.900 -0.330 0.000 1.313 1206 G CA -0.473 44.591 45.100 -0.060 0.000 1.010 1206 G HN 0.564 nan 8.290 nan 0.000 0.578 1207 S N -1.270 114.144 115.700 -0.476 0.000 3.093 1207 S HA 0.412 4.863 4.470 -0.032 0.000 0.251 1207 S C -0.643 173.613 174.600 -0.574 0.000 0.905 1207 S CA -0.260 57.330 58.200 -1.015 0.000 1.124 1207 S CB -0.181 62.696 63.200 -0.539 0.000 1.124 1207 S HN 0.307 nan 8.310 nan 0.000 0.574 1208 I N 2.503 122.952 120.570 -0.203 0.000 2.533 1208 I HA 0.580 4.731 4.170 -0.032 0.000 0.290 1208 I C -0.864 175.475 176.117 0.371 0.000 1.056 1208 I CA -1.088 60.281 61.300 0.115 0.000 1.057 1208 I CB 1.675 39.732 38.000 0.095 0.000 1.240 1208 I HN 0.405 nan 8.210 nan 0.000 0.423 1209 Y N 2.981 123.461 120.300 0.300 0.000 2.409 1209 Y HA 0.866 5.397 4.550 -0.031 0.000 0.343 1209 Y C -0.489 175.554 175.900 0.239 0.000 0.973 1209 Y CA -1.287 56.991 58.100 0.296 0.000 1.064 1209 Y CB 1.956 40.575 38.460 0.265 0.000 1.207 1209 Y HN 0.489 nan 8.280 nan 0.000 0.452 1210 S N 5.681 121.524 115.700 0.239 0.000 2.707 1210 S HA 0.804 5.255 4.470 -0.032 0.000 0.303 1210 S C -1.838 172.894 174.600 0.220 0.000 1.132 1210 S CA -0.395 57.954 58.200 0.248 0.000 1.046 1210 S CB 0.376 63.841 63.200 0.442 0.000 1.004 1210 S HN 0.745 nan 8.310 nan 0.000 0.483 1211 I N 3.967 124.566 120.570 0.049 0.000 2.842 1211 I HA 0.438 4.589 4.170 -0.032 0.000 0.296 1211 I C -1.489 174.142 176.117 -0.810 0.000 1.538 1211 I CA -0.836 60.271 61.300 -0.322 0.000 0.994 1211 I CB 2.106 40.024 38.000 -0.137 0.000 1.372 1211 I HN 0.704 nan 8.210 nan 0.000 0.478 1212 N N 4.825 122.898 118.700 -1.046 0.000 2.448 1212 N HA 0.156 4.877 4.740 -0.032 0.000 0.250 1212 N C 0.471 175.890 175.510 -0.151 0.000 1.136 1212 N CA 0.252 52.866 53.050 -0.726 0.000 0.953 1212 N CB 0.307 38.508 38.487 -0.477 0.000 1.251 1212 N HN 0.522 nan 8.380 nan 0.000 0.502 1213 E N 1.476 121.625 120.200 -0.085 0.000 2.510 1213 E HA -0.087 4.244 4.350 -0.032 0.000 0.202 1213 E C 1.345 177.832 176.600 -0.188 0.000 1.072 1213 E CA 0.318 56.733 56.400 0.025 0.000 0.883 1213 E CB 0.108 29.854 29.700 0.076 0.000 0.818 1213 E HN 0.685 nan 8.360 nan 0.000 0.548 1214 G N 0.303 108.918 108.800 -0.309 0.000 2.559 1214 G HA2 -0.215 3.725 3.960 -0.032 0.000 0.216 1214 G HA3 -0.215 3.725 3.960 -0.032 0.000 0.216 1214 G C 0.742 175.303 174.900 -0.564 0.000 1.126 1214 G CA 0.314 45.159 45.100 -0.424 0.000 0.778 1214 G HN 0.261 nan 8.290 nan 0.000 0.543 1215 Y N 0.328 120.337 120.300 -0.484 0.000 2.571 1215 Y HA 0.493 5.023 4.550 -0.033 0.000 0.275 1215 Y C 2.355 177.465 175.900 -1.317 0.000 1.179 1215 Y CA -0.709 56.962 58.100 -0.715 0.000 1.242 1215 Y CB -0.045 38.075 38.460 -0.567 0.000 1.126 1215 Y HN 0.190 nan 8.280 nan 0.000 0.524 1216 A N 0.651 122.920 122.820 -0.918 0.000 1.958 1216 A HA -0.302 3.998 4.320 -0.032 0.000 0.221 1216 A C 2.323 179.694 177.584 -0.355 0.000 1.178 1216 A CA 2.081 53.729 52.037 -0.649 0.000 0.642 1216 A CB -0.402 18.474 19.000 -0.208 0.000 0.816 1216 A HN 0.456 nan 8.150 nan 0.000 0.453 1217 K N -0.858 119.384 120.400 -0.263 0.000 2.211 1217 K HA -0.136 4.165 4.320 -0.032 0.000 0.203 1217 K C 1.135 177.682 176.600 -0.089 0.000 1.050 1217 K CA 1.425 57.636 56.287 -0.127 0.000 0.945 1217 K CB 0.024 32.468 32.500 -0.093 0.000 0.732 1217 K HN 0.399 nan 8.250 nan 0.000 0.451 1218 E N -0.265 119.856 120.200 -0.131 0.000 2.452 1218 E HA 0.033 4.364 4.350 -0.032 0.000 0.197 1218 E C -0.067 176.594 176.600 0.102 0.000 1.022 1218 E CA -0.012 56.377 56.400 -0.018 0.000 0.890 1218 E CB 0.142 29.843 29.700 0.002 0.000 0.918 1218 E HN 0.077 nan 8.360 nan 0.000 0.496 1219 F N 2.924 122.877 119.950 0.005 0.000 2.545 1219 F HA 0.008 4.515 4.527 -0.033 0.000 0.348 1219 F C 1.159 176.933 175.800 -0.044 0.000 1.163 1219 F CA -1.320 56.667 58.000 -0.022 0.000 1.331 1219 F CB 0.008 38.990 39.000 -0.029 0.000 1.138 1219 F HN -0.079 nan 8.300 nan 0.000 0.602 1220 D N 2.266 122.738 120.400 0.120 0.000 2.354 1220 D HA 0.238 4.858 4.640 -0.032 0.000 0.247 1220 D C -2.257 173.959 176.300 -0.140 0.000 1.138 1220 D CA -1.676 52.318 54.000 -0.011 0.000 0.958 1220 D CB 0.283 41.078 40.800 -0.008 0.000 1.144 1220 D HN 0.104 nan 8.370 nan 0.000 0.458 1221 P HA -0.155 nan 4.420 nan 0.000 0.218 1221 P C 1.053 177.994 177.300 -0.599 0.000 1.146 1221 P CA 1.932 64.829 63.100 -0.339 0.000 0.813 1221 P CB -0.031 31.454 31.700 -0.358 0.000 0.778 1222 A N -0.880 121.477 122.820 -0.772 0.000 1.897 1222 A HA -0.132 4.168 4.320 -0.032 0.000 0.215 1222 A C 2.139 179.391 177.584 -0.554 0.000 1.181 1222 A CA 1.293 52.812 52.037 -0.863 0.000 0.620 1222 A CB -1.480 16.656 19.000 -1.440 0.000 0.821 1222 A HN 0.109 nan 8.150 nan 0.000 0.443 1223 I N -0.288 119.992 120.570 -0.484 0.000 2.252 1223 I HA -0.198 3.953 4.170 -0.032 0.000 0.245 1223 I C 2.580 178.576 176.117 -0.202 0.000 1.102 1223 I CA 1.714 62.804 61.300 -0.350 0.000 1.385 1223 I CB -0.452 37.235 38.000 -0.521 0.000 1.064 1223 I HN 0.233 nan 8.210 nan 0.000 0.414 1224 T N -0.249 114.224 114.554 -0.135 0.000 2.684 1224 T HA -0.269 4.062 4.350 -0.032 0.000 0.267 1224 T C 1.852 176.515 174.700 -0.062 0.000 1.036 1224 T CA 1.754 63.838 62.100 -0.026 0.000 1.148 1224 T CB -0.282 68.587 68.868 0.001 0.000 0.863 1224 T HN 0.435 nan 8.240 nan 0.000 0.436 1225 E N -0.409 119.729 120.200 -0.103 0.000 2.110 1225 E HA -0.170 4.160 4.350 -0.032 0.000 0.193 1225 E C 2.014 178.579 176.600 -0.058 0.000 0.988 1225 E CA 0.857 57.220 56.400 -0.061 0.000 0.804 1225 E CB -0.193 29.493 29.700 -0.024 0.000 0.745 1225 E HN 0.610 nan 8.360 nan 0.000 0.458 1226 Y N 0.716 120.900 120.300 -0.194 0.000 2.181 1226 Y HA -0.223 4.307 4.550 -0.033 0.000 0.288 1226 Y C 1.839 177.584 175.900 -0.260 0.000 1.146 1226 Y CA 1.479 59.452 58.100 -0.211 0.000 1.164 1226 Y CB -0.155 38.172 38.460 -0.221 0.000 0.982 1226 Y HN 0.071 nan 8.280 nan 0.000 0.515 1227 I N 0.474 120.885 120.570 -0.266 0.000 2.179 1227 I HA -0.283 3.867 4.170 -0.032 0.000 0.242 1227 I C 2.478 178.386 176.117 -0.349 0.000 1.088 1227 I CA 1.569 62.626 61.300 -0.406 0.000 1.357 1227 I CB -1.467 36.441 38.000 -0.153 0.000 1.051 1227 I HN 0.226 nan 8.210 nan 0.000 0.409 1228 Q N 0.879 120.587 119.800 -0.154 0.000 2.112 1228 Q HA -0.243 4.078 4.340 -0.032 0.000 0.206 1228 Q C 2.470 178.439 176.000 -0.051 0.000 0.987 1228 Q CA 1.888 57.676 55.803 -0.024 0.000 0.858 1228 Q CB -0.358 28.364 28.738 -0.027 0.000 0.905 1228 Q HN 0.381 nan 8.270 nan 0.000 0.420 1229 R N -0.661 119.717 120.500 -0.205 0.000 2.115 1229 R HA -0.098 4.222 4.340 -0.032 0.000 0.230 1229 R C 1.682 177.751 176.300 -0.386 0.000 1.111 1229 R CA 1.189 57.143 56.100 -0.242 0.000 0.976 1229 R CB 0.088 30.220 30.300 -0.279 0.000 0.870 1229 R HN 0.064 nan 8.270 nan 0.000 0.445 1230 K N 0.691 120.712 120.400 -0.632 0.000 2.097 1230 K HA -0.116 4.184 4.320 -0.032 0.000 0.205 1230 K C 1.854 178.215 176.600 -0.398 0.000 1.050 1230 K CA 1.407 57.258 56.287 -0.728 0.000 0.938 1230 K CB -0.000 31.849 32.500 -1.084 0.000 0.718 1230 K HN 0.265 nan 8.250 nan 0.000 0.442 1231 K N -0.539 119.668 120.400 -0.322 0.000 2.098 1231 K HA 0.040 4.341 4.320 -0.032 0.000 0.203 1231 K C 0.308 176.568 176.600 -0.566 0.000 1.051 1231 K CA 0.677 56.747 56.287 -0.362 0.000 0.957 1231 K CB 0.132 32.453 32.500 -0.298 0.000 0.738 1231 K HN -0.033 nan 8.250 nan 0.000 0.447 1232 F N 1.782 121.658 119.950 -0.123 0.000 2.449 1232 F HA 0.299 4.806 4.527 -0.032 0.000 0.344 1232 F C -2.479 173.261 175.800 -0.100 0.000 1.180 1232 F CA -2.984 54.965 58.000 -0.086 0.000 1.209 1232 F CB 0.646 39.604 39.000 -0.071 0.000 1.440 1232 F HN -0.255 nan 8.300 nan 0.000 0.526 1233 P HA 0.023 nan 4.420 nan 0.000 0.264 1233 P C -1.705 175.601 177.300 0.010 0.000 1.193 1233 P CA -0.961 62.120 63.100 -0.032 0.000 0.763 1233 P CB 0.504 32.184 31.700 -0.033 0.000 0.810 1234 P HA -0.155 nan 4.420 nan 0.000 0.218 1234 P C 0.512 177.818 177.300 0.009 0.000 1.149 1234 P CA 1.475 64.579 63.100 0.007 0.000 0.817 1234 P CB -0.006 31.690 31.700 -0.006 0.000 0.785 1235 D N -1.132 119.272 120.400 0.006 0.000 2.336 1235 D HA -0.025 4.595 4.640 -0.032 0.000 0.228 1235 D C 0.077 176.386 176.300 0.014 0.000 1.120 1235 D CA -0.566 53.441 54.000 0.011 0.000 0.839 1235 D CB -1.598 39.209 40.800 0.012 0.000 0.932 1235 D HN 0.172 nan 8.370 nan 0.000 0.509 1236 N N -0.570 118.140 118.700 0.016 0.000 2.753 1236 N HA -0.225 4.496 4.740 -0.032 0.000 0.251 1236 N C -0.297 175.222 175.510 0.015 0.000 1.097 1236 N CA 0.626 53.686 53.050 0.016 0.000 0.786 1236 N CB -1.284 37.213 38.487 0.016 0.000 1.137 1236 N HN 0.481 nan 8.380 nan 0.000 0.566 1237 S N -0.166 115.545 115.700 0.019 0.000 2.608 1237 S HA 0.603 5.054 4.470 -0.032 0.000 0.261 1237 S C 0.747 175.365 174.600 0.029 0.000 1.314 1237 S CA -0.364 57.854 58.200 0.029 0.000 0.992 1237 S CB 1.413 64.643 63.200 0.050 0.000 0.935 1237 S HN 0.399 nan 8.310 nan 0.000 0.564 1238 A N 1.907 124.749 122.820 0.036 0.000 2.511 1238 A HA 0.503 4.804 4.320 -0.032 0.000 0.242 1238 A C -2.149 175.477 177.584 0.070 0.000 1.069 1238 A CA -1.162 50.893 52.037 0.031 0.000 0.763 1238 A CB -1.133 17.878 19.000 0.020 0.000 1.001 1238 A HN 0.724 nan 8.150 nan 0.000 0.498 1239 P HA 0.090 nan 4.420 nan 0.000 0.268 1239 P C -0.600 176.826 177.300 0.210 0.000 1.208 1239 P CA 0.193 63.325 63.100 0.053 0.000 0.777 1239 P CB 0.155 31.818 31.700 -0.062 0.000 0.875 1240 Y N 0.454 120.754 120.300 -0.001 0.000 2.397 1240 Y HA 0.344 4.875 4.550 -0.032 0.000 0.335 1240 Y C 1.645 177.637 175.900 0.154 0.000 1.213 1240 Y CA -0.216 57.943 58.100 0.098 0.000 1.391 1240 Y CB -0.297 38.269 38.460 0.178 0.000 1.293 1240 Y HN 0.367 nan 8.280 nan 0.000 0.557 1241 G N 0.806 109.725 108.800 0.198 0.000 2.503 1241 G HA2 0.503 4.444 3.960 -0.032 0.000 0.257 1241 G HA3 0.503 4.444 3.960 -0.032 0.000 0.257 1241 G C -0.811 174.126 174.900 0.062 0.000 1.214 1241 G CA -0.238 44.933 45.100 0.119 0.000 0.839 1241 G HN 0.816 nan 8.290 nan 0.000 0.559 1242 A N 1.622 124.395 122.820 -0.077 0.000 2.306 1242 A HA 0.926 5.227 4.320 -0.032 0.000 0.330 1242 A C 0.036 177.526 177.584 -0.158 0.000 1.146 1242 A CA -0.710 51.098 52.037 -0.382 0.000 0.827 1242 A CB 1.127 19.872 19.000 -0.425 0.000 1.178 1242 A HN 0.570 nan 8.150 nan 0.000 0.490 1243 R N 0.229 120.647 120.500 -0.136 0.000 2.522 1243 R HA 0.279 4.600 4.340 -0.032 0.000 0.273 1243 R C -2.427 173.957 176.300 0.141 0.000 1.133 1243 R CA -0.349 55.760 56.100 0.016 0.000 0.969 1243 R CB 1.188 31.513 30.300 0.041 0.000 1.235 1243 R HN 0.785 nan 8.270 nan 0.000 0.433 1244 Y N 2.528 122.828 120.300 0.001 0.000 2.484 1244 Y HA 0.161 4.693 4.550 -0.031 0.000 0.348 1244 Y C 0.686 176.623 175.900 0.061 0.000 1.103 1244 Y CA -0.402 57.735 58.100 0.062 0.000 1.317 1244 Y CB 0.898 39.391 38.460 0.055 0.000 1.096 1244 Y HN 0.358 nan 8.280 nan 0.000 0.568 1245 V N 2.915 122.745 119.914 -0.141 0.000 2.407 1245 V HA -0.117 3.984 4.120 -0.032 0.000 0.248 1245 V C 1.858 177.826 176.094 -0.211 0.000 1.055 1245 V CA 2.526 64.745 62.300 -0.135 0.000 1.049 1245 V CB -0.883 30.866 31.823 -0.124 0.000 0.662 1245 V HN 1.159 nan 8.190 nan 0.000 0.455 1246 G N -0.682 107.811 108.800 -0.510 0.000 2.176 1246 G HA2 -0.221 3.719 3.960 -0.032 0.000 0.232 1246 G HA3 -0.221 3.719 3.960 -0.032 0.000 0.232 1246 G C 0.293 175.104 174.900 -0.148 0.000 0.986 1246 G CA 0.196 45.079 45.100 -0.361 0.000 0.643 1246 G HN 0.532 nan 8.290 nan 0.000 0.522 1247 S N 0.442 116.044 115.700 -0.163 0.000 2.474 1247 S HA 0.558 5.009 4.470 -0.032 0.000 0.321 1247 S C 1.121 175.618 174.600 -0.172 0.000 1.080 1247 S CA 0.134 58.275 58.200 -0.099 0.000 1.106 1247 S CB 1.494 64.649 63.200 -0.075 0.000 0.984 1247 S HN 0.404 nan 8.310 nan 0.000 0.464 1248 M N 4.155 123.679 119.600 -0.127 0.000 2.149 1248 M HA -0.089 4.372 4.480 -0.032 0.000 0.261 1248 M C 1.855 177.901 176.300 -0.424 0.000 1.064 1248 M CA 1.912 57.045 55.300 -0.278 0.000 1.102 1248 M CB -0.210 32.326 32.600 -0.108 0.000 1.369 1248 M HN 0.567 nan 8.290 nan 0.000 0.408 1249 V N 0.623 120.342 119.914 -0.326 0.000 2.407 1249 V HA -0.200 3.900 4.120 -0.032 0.000 0.248 1249 V C 2.293 178.127 176.094 -0.434 0.000 1.055 1249 V CA 2.124 64.138 62.300 -0.476 0.000 1.049 1249 V CB -0.774 30.833 31.823 -0.360 0.000 0.662 1249 V HN 0.605 nan 8.190 nan 0.000 0.455 1250 A N -0.654 121.994 122.820 -0.285 0.000 1.897 1250 A HA -0.163 4.137 4.320 -0.032 0.000 0.215 1250 A C 2.015 179.460 177.584 -0.233 0.000 1.181 1250 A CA 1.680 53.595 52.037 -0.204 0.000 0.620 1250 A CB -0.641 18.273 19.000 -0.143 0.000 0.821 1250 A HN 0.620 nan 8.150 nan 0.000 0.443 1251 D N -0.177 120.024 120.400 -0.333 0.000 2.117 1251 D HA -0.084 4.536 4.640 -0.032 0.000 0.198 1251 D C 2.104 178.167 176.300 -0.394 0.000 0.982 1251 D CA 1.422 55.222 54.000 -0.333 0.000 0.828 1251 D CB -0.228 40.347 40.800 -0.375 0.000 0.967 1251 D HN 0.220 nan 8.370 nan 0.000 0.464 1252 V N 0.746 120.316 119.914 -0.573 0.000 2.358 1252 V HA -0.237 3.863 4.120 -0.032 0.000 0.246 1252 V C 2.334 178.279 176.094 -0.247 0.000 1.047 1252 V CA 1.614 63.656 62.300 -0.430 0.000 1.035 1252 V CB -0.588 30.946 31.823 -0.482 0.000 0.658 1252 V HN 0.208 nan 8.190 nan 0.000 0.452 1253 H N 0.619 119.486 119.070 -0.338 0.000 2.321 1253 H HA -0.167 4.371 4.556 -0.030 0.000 0.300 1253 H C 2.478 177.702 175.328 -0.175 0.000 1.087 1253 H CA 2.272 58.229 56.048 -0.152 0.000 1.319 1253 H CB -0.115 29.593 29.762 -0.091 0.000 1.379 1253 H HN 0.227 nan 8.280 nan 0.000 0.501 1254 R N -0.461 119.888 120.500 -0.253 0.000 2.096 1254 R HA -0.126 4.194 4.340 -0.032 0.000 0.235 1254 R C 1.784 177.906 176.300 -0.296 0.000 1.127 1254 R CA 1.866 57.716 56.100 -0.417 0.000 0.968 1254 R CB -0.317 29.781 30.300 -0.336 0.000 0.861 1254 R HN 0.377 nan 8.270 nan 0.000 0.440 1255 T N 1.832 116.290 114.554 -0.159 0.000 2.759 1255 T HA -0.167 4.164 4.350 -0.032 0.000 0.269 1255 T C 1.661 176.326 174.700 -0.059 0.000 1.042 1255 T CA 1.260 63.333 62.100 -0.045 0.000 1.140 1255 T CB -0.213 68.662 68.868 0.011 0.000 0.864 1255 T HN 0.160 nan 8.240 nan 0.000 0.455 1256 L N 2.023 123.164 121.223 -0.137 0.000 1.994 1256 L HA -0.033 4.287 4.340 -0.032 0.000 0.208 1256 L C 2.539 179.329 176.870 -0.134 0.000 1.071 1256 L CA 1.728 56.491 54.840 -0.130 0.000 0.745 1256 L CB -0.686 41.277 42.059 -0.160 0.000 0.892 1256 L HN 0.284 nan 8.230 nan 0.000 0.431 1257 V N -4.284 115.487 119.914 -0.238 0.000 3.235 1257 V HA -0.072 4.029 4.120 -0.032 0.000 0.259 1257 V C 1.853 178.044 176.094 0.162 0.000 1.133 1257 V CA 0.982 63.221 62.300 -0.102 0.000 1.128 1257 V CB -0.931 30.773 31.823 -0.198 0.000 0.757 1257 V HN 0.533 nan 8.190 nan 0.000 0.469 1258 Y N 1.418 121.663 120.300 -0.091 0.000 2.498 1258 Y HA 0.553 5.083 4.550 -0.032 0.000 0.259 1258 Y C 1.645 177.517 175.900 -0.046 0.000 1.086 1258 Y CA -0.117 57.948 58.100 -0.059 0.000 1.287 1258 Y CB 0.821 39.252 38.460 -0.049 0.000 1.146 1258 Y HN 0.532 nan 8.280 nan 0.000 0.523 1259 G N 0.544 109.412 108.800 0.114 0.000 2.757 1259 G HA2 0.183 4.124 3.960 -0.032 0.000 0.638 1259 G HA3 0.183 4.124 3.960 -0.032 0.000 0.638 1259 G C 0.010 174.967 174.900 0.095 0.000 1.344 1259 G CA -0.567 44.578 45.100 0.076 0.000 0.855 1259 G HN 0.995 nan 8.290 nan 0.000 0.537 1260 G N -1.355 107.509 108.800 0.107 0.000 2.428 1260 G HA2 0.437 4.377 3.960 -0.032 0.000 0.202 1260 G HA3 0.437 4.377 3.960 -0.032 0.000 0.202 1260 G C -0.746 174.286 174.900 0.219 0.000 1.247 1260 G CA 0.312 45.515 45.100 0.170 0.000 1.020 1260 G HN 2.295 nan 8.290 nan 0.000 0.529 1261 I N -0.152 120.593 120.570 0.291 0.000 2.722 1261 I HA 0.820 4.971 4.170 -0.032 0.000 0.295 1261 I C -1.688 174.632 176.117 0.338 0.000 1.161 1261 I CA -1.392 60.079 61.300 0.286 0.000 1.032 1261 I CB 1.714 39.888 38.000 0.290 0.000 1.244 1261 I HN 0.844 nan 8.210 nan 0.000 0.421 1262 F N 8.078 128.113 119.950 0.142 0.000 2.507 1262 F HA 0.741 5.250 4.527 -0.030 0.000 0.325 1262 F C -1.348 174.534 175.800 0.137 0.000 1.116 1262 F CA -0.697 57.393 58.000 0.150 0.000 0.930 1262 F CB 1.579 40.646 39.000 0.110 0.000 1.146 1262 F HN 0.372 nan 8.300 nan 0.000 0.447 1263 M N 6.766 125.949 119.600 -0.695 0.000 2.326 1263 M HA 0.291 4.752 4.480 -0.032 0.000 0.292 1263 M C -1.938 173.998 176.300 -0.607 0.000 1.081 1263 M CA -0.608 54.393 55.300 -0.498 0.000 0.919 1263 M CB 2.363 34.807 32.600 -0.259 0.000 1.634 1263 M HN 0.617 nan 8.290 nan 0.000 0.451 1264 Y N 4.556 124.613 120.300 -0.404 0.000 2.662 1264 Y HA 0.423 4.953 4.550 -0.033 0.000 0.358 1264 Y C -2.529 173.301 175.900 -0.117 0.000 1.041 1264 Y CA -2.032 55.955 58.100 -0.188 0.000 1.184 1264 Y CB 0.853 39.279 38.460 -0.057 0.000 1.114 1264 Y HN 0.334 nan 8.280 nan 0.000 0.650 1265 P HA 0.343 nan 4.420 nan 0.000 0.279 1265 P C -0.429 176.920 177.300 0.082 0.000 1.276 1265 P CA -0.371 62.737 63.100 0.013 0.000 0.801 1265 P CB 1.317 32.968 31.700 -0.083 0.000 1.127 1266 A N 1.624 124.476 122.820 0.054 0.000 2.425 1266 A HA 0.388 4.688 4.320 -0.032 0.000 0.242 1266 A C 0.455 178.092 177.584 0.089 0.000 1.077 1266 A CA 0.174 52.248 52.037 0.060 0.000 0.781 1266 A CB -0.811 18.209 19.000 0.033 0.000 1.020 1266 A HN 0.827 nan 8.150 nan 0.000 0.494 1267 N N -0.682 118.066 118.700 0.080 0.000 2.853 1267 N HA 0.278 4.998 4.740 -0.032 0.000 0.258 1267 N C -0.139 175.411 175.510 0.066 0.000 1.444 1267 N CA -0.776 52.339 53.050 0.107 0.000 0.837 1267 N CB 0.663 39.227 38.487 0.129 0.000 1.489 1267 N HN 0.386 nan 8.380 nan 0.000 0.529 1268 K N -0.341 120.098 120.400 0.064 0.000 2.228 1268 K HA -0.185 4.115 4.320 -0.032 0.000 0.205 1268 K C 0.679 177.298 176.600 0.031 0.000 1.045 1268 K CA 1.914 58.227 56.287 0.042 0.000 0.931 1268 K CB -0.239 32.282 32.500 0.035 0.000 0.727 1268 K HN 0.674 nan 8.250 nan 0.000 0.458 1269 K N -0.801 119.615 120.400 0.027 0.000 2.353 1269 K HA 0.169 4.470 4.320 -0.032 0.000 0.195 1269 K C -0.092 176.517 176.600 0.016 0.000 1.031 1269 K CA 0.090 56.390 56.287 0.021 0.000 1.079 1269 K CB 1.005 33.520 32.500 0.025 0.000 0.857 1269 K HN -0.192 nan 8.250 nan 0.000 0.535 1270 S N 2.076 117.786 115.700 0.015 0.000 2.312 1270 S HA 0.233 4.683 4.470 -0.032 0.000 0.173 1270 S C -2.382 172.229 174.600 0.017 0.000 1.488 1270 S CA -0.975 57.231 58.200 0.011 0.000 1.239 1270 S CB 1.620 64.822 63.200 0.003 0.000 1.215 1270 S HN -0.085 nan 8.310 nan 0.000 0.438 1271 P HA -0.107 nan 4.420 nan 0.000 0.216 1271 P C 0.816 178.117 177.300 0.002 0.000 1.153 1271 P CA 1.235 64.341 63.100 0.011 0.000 0.858 1271 P CB 0.205 31.909 31.700 0.006 0.000 0.789 1272 K N -1.037 119.360 120.400 -0.005 0.000 2.437 1272 K HA 0.293 4.594 4.320 -0.032 0.000 0.205 1272 K C 0.887 177.475 176.600 -0.020 0.000 1.026 1272 K CA 0.224 56.501 56.287 -0.017 0.000 1.153 1272 K CB 0.021 32.507 32.500 -0.024 0.000 0.863 1272 K HN 0.142 nan 8.250 nan 0.000 0.502 1273 G N 1.924 110.725 108.800 0.002 0.000 2.645 1273 G HA2 -0.357 3.583 3.960 -0.032 0.000 0.239 1273 G HA3 -0.357 3.583 3.960 -0.032 0.000 0.239 1273 G C 0.193 175.047 174.900 -0.077 0.000 1.331 1273 G CA 0.310 45.421 45.100 0.019 0.000 0.890 1273 G HN 0.306 nan 8.290 nan 0.000 0.572 1274 K N -1.087 119.148 120.400 -0.274 0.000 2.344 1274 K HA 0.339 4.639 4.320 -0.032 0.000 0.200 1274 K C 1.323 177.736 176.600 -0.312 0.000 1.132 1274 K CA -0.119 55.957 56.287 -0.351 0.000 0.935 1274 K CB -0.010 32.128 32.500 -0.604 0.000 1.089 1274 K HN 0.508 nan 8.250 nan 0.000 0.496 1275 L N 3.449 124.438 121.223 -0.390 0.000 2.467 1275 L HA 0.147 4.467 4.340 -0.032 0.000 0.270 1275 L C 0.233 177.012 176.870 -0.152 0.000 1.205 1275 L CA -0.607 54.105 54.840 -0.212 0.000 0.828 1275 L CB 0.326 42.304 42.059 -0.135 0.000 1.101 1275 L HN 0.152 nan 8.230 nan 0.000 0.479 1276 R N 2.064 122.465 120.500 -0.165 0.000 2.265 1276 R HA 0.120 4.441 4.340 -0.032 0.000 0.314 1276 R C 0.733 176.834 176.300 -0.332 0.000 1.053 1276 R CA -0.616 55.302 56.100 -0.304 0.000 0.931 1276 R CB 0.925 30.881 30.300 -0.574 0.000 1.024 1276 R HN 0.503 nan 8.270 nan 0.000 0.457 1277 L N 3.883 124.947 121.223 -0.265 0.000 2.017 1277 L HA -0.136 4.184 4.340 -0.032 0.000 0.208 1277 L C 1.818 178.582 176.870 -0.177 0.000 1.073 1277 L CA 1.799 56.538 54.840 -0.168 0.000 0.745 1277 L CB -0.354 41.637 42.059 -0.113 0.000 0.894 1277 L HN 0.582 nan 8.230 nan 0.000 0.432 1278 L N -0.866 120.185 121.223 -0.286 0.000 2.017 1278 L HA -0.196 4.124 4.340 -0.032 0.000 0.208 1278 L C 2.079 178.929 176.870 -0.034 0.000 1.073 1278 L CA 2.073 56.834 54.840 -0.130 0.000 0.745 1278 L CB -0.901 41.106 42.059 -0.087 0.000 0.894 1278 L HN 0.570 nan 8.230 nan 0.000 0.432 1279 Y N -3.569 116.763 120.300 0.055 0.000 2.588 1279 Y HA 0.395 4.926 4.550 -0.032 0.000 0.247 1279 Y C 1.530 177.464 175.900 0.058 0.000 1.157 1279 Y CA -0.604 57.534 58.100 0.065 0.000 1.215 1279 Y CB -0.225 38.267 38.460 0.054 0.000 1.245 1279 Y HN 0.049 nan 8.280 nan 0.000 0.534 1280 E N -0.224 119.967 120.200 -0.014 0.000 2.756 1280 E HA 0.075 4.406 4.350 -0.032 0.000 0.192 1280 E C 1.399 178.001 176.600 0.003 0.000 1.022 1280 E CA 0.787 57.205 56.400 0.030 0.000 1.224 1280 E CB -0.234 29.475 29.700 0.014 0.000 1.252 1280 E HN 0.303 nan 8.360 nan 0.000 0.494 1281 C N 1.390 120.672 119.300 -0.031 0.000 2.453 1281 C HA -0.018 4.422 4.460 -0.032 0.000 0.277 1281 C C 2.415 177.420 174.990 0.025 0.000 1.262 1281 C CA 0.816 59.840 59.018 0.009 0.000 1.718 1281 C CB -1.229 26.508 27.740 -0.004 0.000 2.031 1281 C HN 0.456 nan 8.230 nan 0.000 0.480 1282 N N 1.189 119.899 118.700 0.016 0.000 2.069 1282 N HA -0.123 4.598 4.740 -0.032 0.000 0.191 1282 N C -1.032 174.507 175.510 0.047 0.000 1.031 1282 N CA 1.451 54.529 53.050 0.046 0.000 0.852 1282 N CB -0.724 37.802 38.487 0.065 0.000 1.018 1282 N HN 0.407 nan 8.380 nan 0.000 0.423 1283 P HA -0.142 nan 4.420 nan 0.000 0.215 1283 P C 1.142 178.481 177.300 0.064 0.000 1.153 1283 P CA 1.242 64.336 63.100 -0.010 0.000 0.853 1283 P CB 0.107 31.772 31.700 -0.060 0.000 0.788 1284 M N -1.352 118.282 119.600 0.058 0.000 2.200 1284 M HA 0.003 4.463 4.480 -0.032 0.000 0.265 1284 M C 2.119 178.465 176.300 0.076 0.000 1.066 1284 M CA 1.470 56.808 55.300 0.063 0.000 1.127 1284 M CB -1.900 30.704 32.600 0.007 0.000 1.379 1284 M HN -0.118 nan 8.290 nan 0.000 0.420 1285 A N -0.313 122.558 122.820 0.084 0.000 1.865 1285 A HA -0.239 4.061 4.320 -0.032 0.000 0.217 1285 A C 2.179 179.826 177.584 0.106 0.000 1.191 1285 A CA 1.692 53.782 52.037 0.088 0.000 0.623 1285 A CB -1.259 17.793 19.000 0.087 0.000 0.826 1285 A HN 0.479 nan 8.150 nan 0.000 0.444 1286 Y N 0.741 121.037 120.300 -0.005 0.000 2.145 1286 Y HA -0.203 4.327 4.550 -0.033 0.000 0.286 1286 Y C 2.441 178.333 175.900 -0.013 0.000 1.145 1286 Y CA 1.897 59.987 58.100 -0.015 0.000 1.148 1286 Y CB -0.527 37.904 38.460 -0.047 0.000 0.981 1286 Y HN 0.065 nan 8.280 nan 0.000 0.507 1287 V N -0.027 119.904 119.914 0.028 0.000 2.252 1287 V HA -0.408 3.693 4.120 -0.032 0.000 0.249 1287 V C 2.449 178.502 176.094 -0.067 0.000 1.056 1287 V CA 2.245 64.518 62.300 -0.046 0.000 1.022 1287 V CB -0.824 31.041 31.823 0.070 0.000 0.641 1287 V HN 0.422 nan 8.190 nan 0.000 0.445 1288 M N -0.283 119.310 119.600 -0.011 0.000 2.108 1288 M HA -0.173 4.288 4.480 -0.032 0.000 0.261 1288 M C 2.074 178.349 176.300 -0.043 0.000 1.066 1288 M CA 1.633 56.928 55.300 -0.009 0.000 1.107 1288 M CB -1.011 31.604 32.600 0.025 0.000 1.356 1288 M HN 0.406 nan 8.290 nan 0.000 0.406 1289 E N -1.136 119.022 120.200 -0.069 0.000 2.158 1289 E HA -0.138 4.193 4.350 -0.032 0.000 0.191 1289 E C 1.784 178.301 176.600 -0.139 0.000 0.982 1289 E CA 0.511 56.862 56.400 -0.082 0.000 0.823 1289 E CB 0.114 29.780 29.700 -0.057 0.000 0.766 1289 E HN 0.291 nan 8.360 nan 0.000 0.468 1290 K N 0.226 120.478 120.400 -0.247 0.000 2.283 1290 K HA -0.030 4.270 4.320 -0.032 0.000 0.202 1290 K C 1.476 177.999 176.600 -0.127 0.000 1.048 1290 K CA 0.624 56.770 56.287 -0.236 0.000 0.948 1290 K CB 0.050 32.329 32.500 -0.369 0.000 0.742 1290 K HN 0.017 nan 8.250 nan 0.000 0.458 1291 A N 0.005 122.766 122.820 -0.098 0.000 2.337 1291 A HA 0.366 4.666 4.320 -0.032 0.000 0.227 1291 A C 1.090 178.650 177.584 -0.039 0.000 1.259 1291 A CA 0.637 52.639 52.037 -0.059 0.000 0.870 1291 A CB -0.202 18.769 19.000 -0.048 0.000 0.927 1291 A HN 0.307 nan 8.150 nan 0.000 0.497 1292 G N -1.788 106.988 108.800 -0.040 0.000 2.136 1292 G HA2 -0.017 3.924 3.960 -0.032 0.000 0.242 1292 G HA3 -0.017 3.924 3.960 -0.032 0.000 0.242 1292 G C 0.641 175.535 174.900 -0.009 0.000 0.989 1292 G CA 0.338 45.425 45.100 -0.021 0.000 0.682 1292 G HN 1.320 nan 8.290 nan 0.000 0.522 1293 G N -1.229 107.565 108.800 -0.010 0.000 2.671 1293 G HA2 0.821 4.762 3.960 -0.032 0.000 0.275 1293 G HA3 0.821 4.762 3.960 -0.032 0.000 0.275 1293 G C -0.227 174.679 174.900 0.011 0.000 1.368 1293 G CA -1.010 44.095 45.100 0.009 0.000 1.044 1293 G HN 0.669 nan 8.290 nan 0.000 0.543 1294 L N -0.929 120.309 121.223 0.024 0.000 2.333 1294 L HA 0.768 5.088 4.340 -0.032 0.000 0.263 1294 L C -0.339 176.550 176.870 0.031 0.000 1.014 1294 L CA -1.184 53.669 54.840 0.022 0.000 0.820 1294 L CB 2.466 44.536 42.059 0.019 0.000 1.352 1294 L HN 0.657 nan 8.230 nan 0.000 0.421 1295 A N 0.731 123.566 122.820 0.026 0.000 2.476 1295 A HA 0.647 4.947 4.320 -0.032 0.000 0.280 1295 A C -0.785 176.806 177.584 0.012 0.000 1.081 1295 A CA -0.348 51.709 52.037 0.033 0.000 0.753 1295 A CB 1.729 20.758 19.000 0.049 0.000 1.248 1295 A HN 0.579 nan 8.150 nan 0.000 0.424 1296 T N 0.143 114.692 114.554 -0.008 0.000 2.906 1296 T HA 0.566 4.897 4.350 -0.032 0.000 0.295 1296 T C 1.247 175.901 174.700 -0.076 0.000 1.075 1296 T CA 0.481 62.553 62.100 -0.046 0.000 1.005 1296 T CB 1.476 70.303 68.868 -0.069 0.000 1.136 1296 T HN 1.170 nan 8.240 nan 0.000 0.498 1297 T N -0.272 114.215 114.554 -0.111 0.000 3.088 1297 T HA 0.363 4.694 4.350 -0.032 0.000 0.259 1297 T C 1.618 176.137 174.700 -0.301 0.000 1.122 1297 T CA 1.075 63.086 62.100 -0.147 0.000 1.095 1297 T CB -0.199 68.594 68.868 -0.125 0.000 0.930 1297 T HN 1.532 nan 8.240 nan 0.000 0.508 1298 G N 1.346 109.927 108.800 -0.364 0.000 2.259 1298 G HA2 -0.220 3.720 3.960 -0.032 0.000 0.217 1298 G HA3 -0.220 3.720 3.960 -0.032 0.000 0.217 1298 G C 0.804 175.359 174.900 -0.574 0.000 1.001 1298 G CA 0.248 44.896 45.100 -0.753 0.000 0.627 1298 G HN 0.560 nan 8.290 nan 0.000 0.501 1299 K N 0.264 120.465 120.400 -0.332 0.000 2.538 1299 K HA 0.334 4.635 4.320 -0.032 0.000 0.215 1299 K C 0.398 176.934 176.600 -0.107 0.000 1.345 1299 K CA 0.704 56.880 56.287 -0.185 0.000 0.985 1299 K CB 1.041 33.450 32.500 -0.152 0.000 1.116 1299 K HN 0.652 nan 8.250 nan 0.000 0.582 1300 E N 0.027 120.166 120.200 -0.102 0.000 2.390 1300 E HA 0.533 4.864 4.350 -0.032 0.000 0.280 1300 E C -1.427 175.143 176.600 -0.049 0.000 0.992 1300 E CA -1.161 55.203 56.400 -0.060 0.000 0.790 1300 E CB 1.370 31.042 29.700 -0.046 0.000 1.248 1300 E HN -0.026 nan 8.360 nan 0.000 0.447 1301 A N 1.987 124.791 122.820 -0.026 0.000 2.546 1301 A HA 0.195 4.496 4.320 -0.032 0.000 0.243 1301 A C 1.114 178.696 177.584 -0.002 0.000 1.063 1301 A CA -0.185 51.846 52.037 -0.009 0.000 0.757 1301 A CB 0.423 19.426 19.000 0.006 0.000 0.991 1301 A HN 0.522 nan 8.150 nan 0.000 0.503 1302 V N 3.415 123.333 119.914 0.006 0.000 2.407 1302 V HA -0.240 3.861 4.120 -0.032 0.000 0.248 1302 V C 2.253 178.365 176.094 0.030 0.000 1.055 1302 V CA 2.152 64.459 62.300 0.012 0.000 1.049 1302 V CB -0.800 31.036 31.823 0.022 0.000 0.662 1302 V HN 0.832 nan 8.190 nan 0.000 0.455 1303 L N -0.235 121.019 121.223 0.051 0.000 2.465 1303 L HA -0.082 4.239 4.340 -0.032 0.000 0.224 1303 L C 1.688 178.593 176.870 0.059 0.000 1.145 1303 L CA 0.857 55.743 54.840 0.076 0.000 0.834 1303 L CB -0.428 41.697 42.059 0.110 0.000 0.944 1303 L HN 0.346 nan 8.230 nan 0.000 0.451 1304 D N -0.134 120.286 120.400 0.034 0.000 2.350 1304 D HA 0.174 4.794 4.640 -0.032 0.000 0.213 1304 D C 0.852 177.157 176.300 0.008 0.000 1.031 1304 D CA 0.203 54.217 54.000 0.023 0.000 0.861 1304 D CB 0.372 41.181 40.800 0.015 0.000 0.926 1304 D HN 0.212 nan 8.370 nan 0.000 0.520 1305 I N 1.459 122.031 120.570 0.003 0.000 2.683 1305 I HA -0.068 4.082 4.170 -0.032 0.000 0.286 1305 I C 0.265 176.373 176.117 -0.015 0.000 1.175 1305 I CA -0.047 61.247 61.300 -0.010 0.000 1.429 1305 I CB 0.919 38.909 38.000 -0.017 0.000 1.371 1305 I HN -0.344 nan 8.210 nan 0.000 0.569 1306 V N 8.767 128.667 119.914 -0.024 0.000 2.334 1306 V HA 0.218 4.319 4.120 -0.032 0.000 0.267 1306 V C -1.811 174.257 176.094 -0.043 0.000 1.040 1306 V CA -1.468 60.810 62.300 -0.037 0.000 0.866 1306 V CB 0.343 32.145 31.823 -0.035 0.000 1.019 1306 V HN 0.624 nan 8.190 nan 0.000 0.468 1307 P HA 0.289 nan 4.420 nan 0.000 0.274 1307 P C 0.627 177.894 177.300 -0.056 0.000 1.237 1307 P CA -0.185 62.881 63.100 -0.057 0.000 0.793 1307 P CB 0.747 32.406 31.700 -0.070 0.000 0.977 1308 T N -4.267 110.258 114.554 -0.048 0.000 3.058 1308 T HA 0.220 4.551 4.350 -0.032 0.000 0.278 1308 T C -0.221 174.455 174.700 -0.040 0.000 0.974 1308 T CA -0.062 62.013 62.100 -0.041 0.000 0.893 1308 T CB -0.130 68.720 68.868 -0.030 0.000 1.138 1308 T HN 0.361 nan 8.240 nan 0.000 0.529 1309 D N 1.355 121.727 120.400 -0.048 0.000 2.855 1309 D HA 0.276 4.897 4.640 -0.032 0.000 0.241 1309 D C 1.245 177.495 176.300 -0.084 0.000 1.277 1309 D CA -0.969 53.004 54.000 -0.046 0.000 0.918 1309 D CB 1.463 42.255 40.800 -0.013 0.000 1.462 1309 D HN 0.037 nan 8.370 nan 0.000 0.559 1310 I N 1.837 122.319 120.570 -0.147 0.000 2.614 1310 I HA -0.068 4.082 4.170 -0.032 0.000 0.258 1310 I C 0.389 176.346 176.117 -0.267 0.000 1.189 1310 I CA 1.442 62.605 61.300 -0.228 0.000 1.462 1310 I CB -0.920 36.895 38.000 -0.310 0.000 1.092 1310 I HN 0.402 nan 8.210 nan 0.000 0.442 1311 H N 1.733 120.831 119.070 0.047 0.000 2.505 1311 H HA 0.311 4.848 4.556 -0.033 0.000 0.289 1311 H C 0.588 175.893 175.328 -0.037 0.000 1.052 1311 H CA -0.326 55.754 56.048 0.054 0.000 1.156 1311 H CB -0.091 29.728 29.762 0.094 0.000 1.507 1311 H HN 0.565 nan 8.280 nan 0.000 0.548 1312 Q N 1.679 121.480 119.800 0.001 0.000 2.386 1312 Q HA 0.024 4.345 4.340 -0.032 0.000 0.282 1312 Q C -0.252 175.706 176.000 -0.070 0.000 1.050 1312 Q CA 0.194 55.978 55.803 -0.031 0.000 0.918 1312 Q CB 0.740 29.447 28.738 -0.051 0.000 1.266 1312 Q HN 0.332 nan 8.270 nan 0.000 0.423 1313 R N 1.255 121.722 120.500 -0.055 0.000 2.598 1313 R HA 0.752 5.073 4.340 -0.032 0.000 0.279 1313 R C -1.148 175.111 176.300 -0.068 0.000 0.984 1313 R CA -0.463 55.592 56.100 -0.075 0.000 0.999 1313 R CB 1.779 32.041 30.300 -0.062 0.000 1.114 1313 R HN 0.658 nan 8.270 nan 0.000 0.493 1314 A N 2.838 125.613 122.820 -0.075 0.000 2.449 1314 A HA 0.599 4.900 4.320 -0.032 0.000 0.302 1314 A C -2.660 174.900 177.584 -0.040 0.000 1.048 1314 A CA -1.956 50.049 52.037 -0.053 0.000 0.708 1314 A CB 1.595 20.566 19.000 -0.048 0.000 1.274 1314 A HN 0.382 nan 8.150 nan 0.000 0.410 1315 P HA 0.455 nan 4.420 nan 0.000 0.269 1315 P C -0.742 176.557 177.300 -0.001 0.000 1.209 1315 P CA 0.212 63.309 63.100 -0.005 0.000 0.776 1315 P CB 0.627 32.306 31.700 -0.035 0.000 0.876 1316 I N 2.505 123.096 120.570 0.036 0.000 2.644 1316 I HA 0.402 4.552 4.170 -0.032 0.000 0.291 1316 I C -1.640 174.498 176.117 0.036 0.000 1.180 1316 I CA -0.896 60.431 61.300 0.045 0.000 1.040 1316 I CB 1.341 39.402 38.000 0.101 0.000 1.255 1316 I HN 0.051 nan 8.210 nan 0.000 0.422 1317 I N 8.451 129.029 120.570 0.012 0.000 2.411 1317 I HA 0.469 4.619 4.170 -0.032 0.000 0.284 1317 I C -0.893 175.255 176.117 0.051 0.000 1.012 1317 I CA -0.288 61.012 61.300 -0.000 0.000 1.119 1317 I CB 1.568 39.532 38.000 -0.060 0.000 1.261 1317 I HN 0.387 nan 8.210 nan 0.000 0.448 1318 L N 4.068 125.367 121.223 0.125 0.000 2.359 1318 L HA 1.182 5.503 4.340 -0.032 0.000 0.256 1318 L C 0.118 177.072 176.870 0.141 0.000 1.026 1318 L CA -0.349 54.568 54.840 0.128 0.000 0.828 1318 L CB 1.778 43.930 42.059 0.156 0.000 1.406 1318 L HN 0.726 nan 8.230 nan 0.000 0.413 1319 G N -0.577 108.284 108.800 0.102 0.000 2.260 1319 G HA2 0.124 4.064 3.960 -0.032 0.000 0.250 1319 G HA3 0.124 4.064 3.960 -0.032 0.000 0.250 1319 G C -1.116 173.831 174.900 0.078 0.000 1.340 1319 G CA -0.426 44.735 45.100 0.101 0.000 1.056 1319 G HN 0.822 nan 8.290 nan 0.000 0.471 1320 S N 3.160 118.915 115.700 0.090 0.000 2.563 1320 S HA 0.292 4.743 4.470 -0.032 0.000 0.294 1320 S C -0.692 173.952 174.600 0.073 0.000 1.279 1320 S CA 0.209 58.455 58.200 0.077 0.000 1.069 1320 S CB 1.501 64.757 63.200 0.093 0.000 0.828 1320 S HN 0.533 nan 8.310 nan 0.000 0.497 1321 P HA -0.180 nan 4.420 nan 0.000 0.214 1321 P C 0.969 178.302 177.300 0.056 0.000 1.163 1321 P CA 1.332 64.459 63.100 0.045 0.000 0.889 1321 P CB 0.143 31.863 31.700 0.033 0.000 0.790 1322 E N -0.517 119.723 120.200 0.067 0.000 2.204 1322 E HA -0.161 4.170 4.350 -0.032 0.000 0.195 1322 E C 1.698 178.365 176.600 0.111 0.000 0.990 1322 E CA 0.914 57.363 56.400 0.080 0.000 0.821 1322 E CB -0.311 29.439 29.700 0.083 0.000 0.750 1322 E HN 0.358 nan 8.360 nan 0.000 0.477 1323 D N 0.119 120.603 120.400 0.139 0.000 2.149 1323 D HA -0.076 4.544 4.640 -0.032 0.000 0.206 1323 D C 2.144 178.495 176.300 0.084 0.000 0.967 1323 D CA 0.660 54.774 54.000 0.190 0.000 0.848 1323 D CB -0.058 40.912 40.800 0.282 0.000 0.998 1323 D HN 0.017 nan 8.370 nan 0.000 0.474 1324 V N 1.375 121.320 119.914 0.051 0.000 2.392 1324 V HA -0.217 3.884 4.120 -0.032 0.000 0.249 1324 V C 2.495 178.578 176.094 -0.018 0.000 1.059 1324 V CA 1.777 64.071 62.300 -0.010 0.000 1.051 1324 V CB -0.734 31.096 31.823 0.013 0.000 0.658 1324 V HN 0.207 nan 8.190 nan 0.000 0.455 1325 T N -0.806 113.759 114.554 0.018 0.000 2.857 1325 T HA -0.187 4.144 4.350 -0.032 0.000 0.266 1325 T C 1.884 176.602 174.700 0.030 0.000 1.048 1325 T CA 1.536 63.651 62.100 0.023 0.000 1.139 1325 T CB -0.154 68.734 68.868 0.034 0.000 0.874 1325 T HN 0.641 nan 8.240 nan 0.000 0.455 1326 E N 0.436 120.667 120.200 0.051 0.000 2.118 1326 E HA -0.159 4.172 4.350 -0.032 0.000 0.195 1326 E C 2.097 178.721 176.600 0.040 0.000 0.992 1326 E CA 0.900 57.348 56.400 0.080 0.000 0.804 1326 E CB -0.135 29.660 29.700 0.159 0.000 0.741 1326 E HN 0.262 nan 8.360 nan 0.000 0.458 1327 L N 0.764 121.924 121.223 -0.104 0.000 2.109 1327 L HA -0.064 4.257 4.340 -0.032 0.000 0.207 1327 L C 2.062 178.943 176.870 0.019 0.000 1.086 1327 L CA 1.291 55.996 54.840 -0.225 0.000 0.760 1327 L CB -0.365 41.355 42.059 -0.564 0.000 0.910 1327 L HN 0.214 nan 8.230 nan 0.000 0.437 1328 L N -0.595 120.650 121.223 0.037 0.000 2.046 1328 L HA -0.226 4.095 4.340 -0.032 0.000 0.208 1328 L C 2.462 179.398 176.870 0.109 0.000 1.077 1328 L CA 1.505 56.399 54.840 0.090 0.000 0.747 1328 L CB -0.477 41.600 42.059 0.030 0.000 0.896 1328 L HN 0.343 nan 8.230 nan 0.000 0.432 1329 E N -0.118 120.124 120.200 0.070 0.000 2.110 1329 E HA -0.227 4.103 4.350 -0.032 0.000 0.193 1329 E C 2.099 178.749 176.600 0.083 0.000 0.988 1329 E CA 0.977 57.416 56.400 0.065 0.000 0.804 1329 E CB -0.004 29.725 29.700 0.048 0.000 0.745 1329 E HN 0.357 nan 8.360 nan 0.000 0.458 1330 I N 0.159 120.778 120.570 0.082 0.000 2.315 1330 I HA -0.208 3.943 4.170 -0.032 0.000 0.248 1330 I C 1.929 178.134 176.117 0.147 0.000 1.117 1330 I CA 1.338 62.696 61.300 0.097 0.000 1.404 1330 I CB -1.129 36.887 38.000 0.027 0.000 1.071 1330 I HN 0.116 nan 8.210 nan 0.000 0.419 1331 Y N 1.405 121.743 120.300 0.063 0.000 2.242 1331 Y HA -0.201 4.330 4.550 -0.033 0.000 0.291 1331 Y C 2.786 178.729 175.900 0.073 0.000 1.137 1331 Y CA 1.433 59.563 58.100 0.052 0.000 1.181 1331 Y CB -0.423 38.028 38.460 -0.015 0.000 0.989 1331 Y HN 0.253 nan 8.280 nan 0.000 0.527 1332 Q N -0.037 119.885 119.800 0.204 0.000 2.124 1332 Q HA -0.235 4.085 4.340 -0.032 0.000 0.202 1332 Q C 2.202 178.248 176.000 0.075 0.000 0.977 1332 Q CA 1.741 57.613 55.803 0.114 0.000 0.850 1332 Q CB -0.167 28.615 28.738 0.073 0.000 0.901 1332 Q HN 0.369 nan 8.270 nan 0.000 0.429 1333 K N -0.105 120.329 120.400 0.056 0.000 2.209 1333 K HA -0.169 4.132 4.320 -0.032 0.000 0.204 1333 K C 1.381 177.903 176.600 -0.130 0.000 1.048 1333 K CA 1.167 57.425 56.287 -0.048 0.000 0.940 1333 K CB 0.100 32.544 32.500 -0.092 0.000 0.729 1333 K HN 0.336 nan 8.250 nan 0.000 0.451 1334 H N -0.503 118.570 119.070 0.004 0.000 2.575 1334 H HA 0.211 4.748 4.556 -0.032 0.000 0.267 1334 H C 0.015 175.358 175.328 0.025 0.000 0.966 1334 H CA 0.304 56.350 56.048 -0.002 0.000 1.165 1334 H CB 0.451 30.189 29.762 -0.039 0.000 1.433 1334 H HN 0.207 nan 8.280 nan 0.000 0.544 1335 A N 1.572 124.470 122.820 0.130 0.000 2.488 1335 A HA 0.511 4.811 4.320 -0.032 0.000 0.249 1335 A C 0.367 177.989 177.584 0.062 0.000 1.083 1335 A CA 0.251 52.351 52.037 0.104 0.000 0.768 1335 A CB 0.094 19.147 19.000 0.088 0.000 1.017 1335 A HN 0.368 nan 8.150 nan 0.000 0.496 1336 A N 2.412 125.267 122.820 0.058 0.000 2.346 1336 A HA 0.686 4.986 4.320 -0.032 0.000 0.313 1336 A C 0.473 178.074 177.584 0.029 0.000 1.140 1336 A CA -0.737 51.324 52.037 0.039 0.000 0.826 1336 A CB 0.661 19.686 19.000 0.041 0.000 1.332 1336 A HN 0.943 nan 8.150 nan 0.000 0.457 1337 K N 0.000 120.413 120.400 0.021 0.000 2.780 1337 K HA 0.000 4.301 4.320 -0.032 0.000 0.191 1337 K CA 0.000 56.297 56.287 0.016 0.000 0.838 1337 K CB 0.000 32.507 32.500 0.012 0.000 1.064 1337 K HN 0.000 nan 8.250 nan 0.000 0.543