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 1nv6_1_A DATA FIRST_RESID 1007 DATA SEQUENCE DTNIVTLTRF VMEEGRKARG TGEMTQLLNS LCTAVKAIST AVRKAGIAHL DATA SEQUENCE YGIAGSTNVT GDQVKKLDVL SNDLVINVLK SSFATCVLVS EEDKNAIIVE DATA SEQUENCE PEKRGKYVVC FDPLDGSSNI DCLVSIGTIF GIYRKNSTDE PSEKDALQPG DATA SEQUENCE RNLVAAGYAL YGSATMLVLA MVNGVNCFML DPAIGEFILV DRDVKIKKKG DATA SEQUENCE SIYSINEGYA KEFDPAITEY IQRKKFPPDN SAPYGARYVG SMVADVHRTL DATA SEQUENCE VYGGIFMYPA NKKSPKGKLR LLYECNPMAY VMEKAGGLAT TGKEAVLDIV DATA SEQUENCE PTDIHQRAPI ILGSPEDVTE LLEIYQKHA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1007 D HA 0.000 nan 4.640 nan 0.000 0.175 1007 D C 0.000 176.307 176.300 0.012 0.000 2.045 1007 D CA 0.000 54.007 54.000 0.012 0.000 0.868 1007 D CB 0.000 40.805 40.800 0.008 0.000 0.688 1008 T N -1.452 113.110 114.554 0.012 0.000 3.186 1008 T HA 0.336 4.667 4.350 -0.032 0.000 0.257 1008 T C 0.069 174.779 174.700 0.016 0.000 1.029 1008 T CA -0.396 61.712 62.100 0.012 0.000 0.916 1008 T CB -0.244 68.630 68.868 0.010 0.000 1.041 1008 T HN 0.095 nan 8.240 nan 0.000 0.562 1009 N N 1.396 120.109 118.700 0.021 0.000 2.577 1009 N HA 0.463 5.184 4.740 -0.032 0.000 0.275 1009 N C -1.585 173.947 175.510 0.037 0.000 1.091 1009 N CA -0.815 52.251 53.050 0.028 0.000 0.843 1009 N CB 0.700 39.203 38.487 0.027 0.000 1.295 1009 N HN 0.255 nan 8.380 nan 0.000 0.530 1010 I N 1.772 122.367 120.570 0.042 0.000 2.362 1010 I HA 0.359 4.510 4.170 -0.032 0.000 0.289 1010 I C -0.051 176.114 176.117 0.081 0.000 0.994 1010 I CA -1.279 60.054 61.300 0.055 0.000 1.158 1010 I CB 1.522 39.549 38.000 0.046 0.000 1.315 1010 I HN 0.087 nan 8.210 nan 0.000 0.451 1011 V N 5.673 125.651 119.914 0.106 0.000 2.287 1011 V HA 0.180 4.281 4.120 -0.032 0.000 0.246 1011 V C 1.034 177.250 176.094 0.204 0.000 1.165 1011 V CA -0.204 62.193 62.300 0.163 0.000 1.088 1011 V CB -0.860 31.077 31.823 0.190 0.000 1.242 1011 V HN 0.987 nan 8.190 nan 0.000 0.497 1012 T N 1.392 116.043 114.554 0.162 0.000 2.816 1012 T HA 0.336 4.667 4.350 -0.032 0.000 0.282 1012 T C 1.233 175.996 174.700 0.106 0.000 0.993 1012 T CA -0.341 61.845 62.100 0.144 0.000 0.994 1012 T CB 1.351 70.269 68.868 0.084 0.000 1.025 1012 T HN 0.305 nan 8.240 nan 0.000 0.529 1013 L N 0.746 121.908 121.223 -0.102 0.000 2.042 1013 L HA -0.062 4.259 4.340 -0.032 0.000 0.210 1013 L C 2.695 179.450 176.870 -0.192 0.000 1.076 1013 L CA 2.088 56.600 54.840 -0.547 0.000 0.749 1013 L CB -1.105 40.503 42.059 -0.753 0.000 0.893 1013 L HN 0.941 nan 8.230 nan 0.000 0.432 1014 T N -0.274 114.229 114.554 -0.085 0.000 2.622 1014 T HA -0.284 4.047 4.350 -0.032 0.000 0.266 1014 T C 1.953 176.667 174.700 0.024 0.000 1.047 1014 T CA 1.879 63.959 62.100 -0.032 0.000 1.159 1014 T CB -0.337 68.523 68.868 -0.013 0.000 0.863 1014 T HN 0.372 nan 8.240 nan 0.000 0.422 1015 R N -0.248 120.288 120.500 0.061 0.000 2.096 1015 R HA -0.137 4.184 4.340 -0.032 0.000 0.240 1015 R C 2.297 178.663 176.300 0.109 0.000 1.139 1015 R CA 1.751 57.898 56.100 0.079 0.000 0.952 1015 R CB -0.637 29.721 30.300 0.096 0.000 0.854 1015 R HN 0.427 nan 8.270 nan 0.000 0.436 1016 F N 0.850 120.819 119.950 0.032 0.000 2.046 1016 F HA -0.238 4.271 4.527 -0.031 0.000 0.297 1016 F C 2.170 177.987 175.800 0.029 0.000 1.123 1016 F CA 1.877 59.922 58.000 0.074 0.000 1.199 1016 F CB -0.438 38.679 39.000 0.196 0.000 0.972 1016 F HN -0.179 nan 8.300 nan 0.000 0.474 1017 V N 0.445 120.497 119.914 0.230 0.000 2.594 1017 V HA -0.336 3.765 4.120 -0.032 0.000 0.253 1017 V C 2.333 178.427 176.094 -0.000 0.000 1.069 1017 V CA 2.009 64.369 62.300 0.100 0.000 1.082 1017 V CB -0.544 31.306 31.823 0.045 0.000 0.680 1017 V HN 0.471 nan 8.190 nan 0.000 0.469 1018 M N -0.804 118.794 119.600 -0.004 0.000 2.134 1018 M HA -0.129 4.331 4.480 -0.032 0.000 0.262 1018 M C 2.236 178.510 176.300 -0.043 0.000 1.076 1018 M CA 1.705 56.996 55.300 -0.016 0.000 1.143 1018 M CB -0.213 32.385 32.600 -0.003 0.000 1.346 1018 M HN 0.287 nan 8.290 nan 0.000 0.421 1019 E N -0.208 119.953 120.200 -0.065 0.000 2.265 1019 E HA -0.248 4.083 4.350 -0.032 0.000 0.196 1019 E C 1.580 178.087 176.600 -0.155 0.000 0.996 1019 E CA 1.118 57.459 56.400 -0.098 0.000 0.832 1019 E CB 0.035 29.671 29.700 -0.107 0.000 0.756 1019 E HN 0.387 nan 8.360 nan 0.000 0.491 1020 E N 0.626 120.701 120.200 -0.209 0.000 1.999 1020 E HA -0.106 4.225 4.350 -0.032 0.000 0.194 1020 E C 1.600 178.143 176.600 -0.094 0.000 0.995 1020 E CA 1.650 57.921 56.400 -0.215 0.000 0.825 1020 E CB -0.652 28.924 29.700 -0.207 0.000 0.777 1020 E HN 0.112 nan 8.360 nan 0.000 0.459 1021 G N -0.121 108.651 108.800 -0.047 0.000 3.374 1021 G HA2 -0.006 3.935 3.960 -0.032 0.000 0.252 1021 G HA3 -0.006 3.935 3.960 -0.032 0.000 0.252 1021 G C 1.082 175.975 174.900 -0.013 0.000 1.326 1021 G CA 0.266 45.358 45.100 -0.013 0.000 1.133 1021 G HN 0.145 nan 8.290 nan 0.000 0.528 1022 R N 1.413 121.896 120.500 -0.029 0.000 2.040 1022 R HA 0.021 4.341 4.340 -0.032 0.000 0.219 1022 R C 2.725 179.017 176.300 -0.014 0.000 1.216 1022 R CA 1.357 57.444 56.100 -0.022 0.000 0.952 1022 R CB -0.220 30.062 30.300 -0.031 0.000 0.833 1022 R HN 0.139 nan 8.270 nan 0.000 0.456 1023 K N 0.565 120.954 120.400 -0.018 0.000 2.211 1023 K HA -0.052 4.249 4.320 -0.032 0.000 0.204 1023 K C 1.099 177.696 176.600 -0.005 0.000 1.047 1023 K CA 1.760 58.041 56.287 -0.011 0.000 0.935 1023 K CB -0.483 32.009 32.500 -0.013 0.000 0.728 1023 K HN 0.279 nan 8.250 nan 0.000 0.452 1024 A N 1.723 124.541 122.820 -0.004 0.000 2.411 1024 A HA 0.116 4.417 4.320 -0.032 0.000 0.251 1024 A C 0.847 178.437 177.584 0.010 0.000 1.317 1024 A CA -0.184 51.856 52.037 0.005 0.000 0.904 1024 A CB -0.579 18.427 19.000 0.009 0.000 0.993 1024 A HN 0.399 nan 8.150 nan 0.000 0.504 1025 R N -0.951 119.552 120.500 0.006 0.000 3.335 1025 R HA -0.178 4.142 4.340 -0.032 0.000 0.641 1025 R C 0.711 177.022 176.300 0.019 0.000 0.241 1025 R CA 2.090 58.195 56.100 0.009 0.000 1.968 1025 R CB -1.151 29.153 30.300 0.008 0.000 0.788 1025 R HN 1.710 nan 8.270 nan 0.000 0.648 1026 G N -3.852 104.961 108.800 0.022 0.000 2.362 1026 G HA2 -0.090 3.851 3.960 -0.032 0.000 0.656 1026 G HA3 -0.090 3.851 3.960 -0.032 0.000 0.656 1026 G C 0.427 175.347 174.900 0.033 0.000 1.376 1026 G CA 0.691 45.811 45.100 0.035 0.000 0.971 1026 G HN 0.903 nan 8.290 nan 0.000 0.636 1027 T N -1.784 112.795 114.554 0.041 0.000 2.977 1027 T HA 0.318 4.649 4.350 -0.032 0.000 0.271 1027 T C 2.437 177.165 174.700 0.046 0.000 1.105 1027 T CA 2.123 64.245 62.100 0.037 0.000 1.116 1027 T CB -0.301 68.590 68.868 0.038 0.000 0.878 1027 T HN 2.809 nan 8.240 nan 0.000 0.509 1028 G N 1.924 110.759 108.800 0.058 0.000 2.162 1028 G HA2 -0.330 3.611 3.960 -0.032 0.000 0.260 1028 G HA3 -0.330 3.611 3.960 -0.032 0.000 0.260 1028 G C 0.582 175.524 174.900 0.069 0.000 0.976 1028 G CA 0.557 45.687 45.100 0.050 0.000 0.655 1028 G HN 0.806 nan 8.290 nan 0.000 0.533 1029 E N -0.815 119.458 120.200 0.122 0.000 2.481 1029 E HA 0.197 4.528 4.350 -0.032 0.000 0.195 1029 E C 2.130 178.801 176.600 0.118 0.000 1.047 1029 E CA 0.759 57.249 56.400 0.150 0.000 0.867 1029 E CB -0.099 29.726 29.700 0.208 0.000 0.858 1029 E HN 0.491 nan 8.360 nan 0.000 0.513 1030 M N 1.849 121.497 119.600 0.080 0.000 2.132 1030 M HA -0.068 4.393 4.480 -0.032 0.000 0.263 1030 M C 1.907 178.143 176.300 -0.108 0.000 1.065 1030 M CA 1.891 57.114 55.300 -0.128 0.000 1.122 1030 M CB -0.600 31.942 32.600 -0.096 0.000 1.365 1030 M HN 0.016 nan 8.290 nan 0.000 0.411 1031 T N 0.725 115.253 114.554 -0.043 0.000 2.684 1031 T HA -0.207 4.124 4.350 -0.032 0.000 0.267 1031 T C 1.704 176.371 174.700 -0.055 0.000 1.036 1031 T CA 1.949 64.020 62.100 -0.049 0.000 1.148 1031 T CB -0.382 68.475 68.868 -0.018 0.000 0.863 1031 T HN 0.565 nan 8.240 nan 0.000 0.436 1032 Q N 0.352 120.141 119.800 -0.018 0.000 2.181 1032 Q HA -0.006 4.315 4.340 -0.032 0.000 0.205 1032 Q C 2.343 178.309 176.000 -0.056 0.000 0.980 1032 Q CA 0.800 56.599 55.803 -0.006 0.000 0.862 1032 Q CB -0.296 28.478 28.738 0.059 0.000 0.905 1032 Q HN 0.337 nan 8.270 nan 0.000 0.429 1033 L N 0.687 121.853 121.223 -0.094 0.000 2.044 1033 L HA -0.117 4.204 4.340 -0.032 0.000 0.205 1033 L C 2.041 178.773 176.870 -0.230 0.000 1.075 1033 L CA 1.518 56.261 54.840 -0.162 0.000 0.747 1033 L CB -0.482 41.435 42.059 -0.237 0.000 0.903 1033 L HN 0.344 nan 8.230 nan 0.000 0.435 1034 L N -0.249 120.831 121.223 -0.238 0.000 2.141 1034 L HA -0.204 4.117 4.340 -0.032 0.000 0.209 1034 L C 2.317 179.029 176.870 -0.262 0.000 1.094 1034 L CA 0.744 55.406 54.840 -0.296 0.000 0.763 1034 L CB -0.634 41.271 42.059 -0.257 0.000 0.908 1034 L HN 0.359 nan 8.230 nan 0.000 0.437 1035 N N -0.024 118.571 118.700 -0.174 0.000 2.084 1035 N HA -0.135 4.586 4.740 -0.032 0.000 0.190 1035 N C 2.037 177.473 175.510 -0.123 0.000 1.030 1035 N CA 1.647 54.622 53.050 -0.124 0.000 0.849 1035 N CB -0.309 38.136 38.487 -0.069 0.000 1.012 1035 N HN 0.176 nan 8.380 nan 0.000 0.423 1036 S N 1.356 116.978 115.700 -0.131 0.000 2.365 1036 S HA -0.135 4.316 4.470 -0.032 0.000 0.225 1036 S C 1.938 176.428 174.600 -0.184 0.000 1.039 1036 S CA 0.729 58.847 58.200 -0.137 0.000 1.033 1036 S CB -0.498 62.617 63.200 -0.142 0.000 0.887 1036 S HN 0.188 nan 8.310 nan 0.000 0.447 1037 L N 1.806 122.870 121.223 -0.265 0.000 1.989 1037 L HA -0.086 4.235 4.340 -0.032 0.000 0.211 1037 L C 2.456 179.155 176.870 -0.285 0.000 1.071 1037 L CA 1.418 56.050 54.840 -0.346 0.000 0.749 1037 L CB -1.292 40.443 42.059 -0.541 0.000 0.890 1037 L HN 0.376 nan 8.230 nan 0.000 0.431 1038 C N -0.985 118.133 119.300 -0.303 0.000 2.396 1038 C HA -0.236 4.204 4.460 -0.032 0.000 0.277 1038 C C 2.693 177.717 174.990 0.058 0.000 1.231 1038 C CA 1.581 60.460 59.018 -0.231 0.000 1.775 1038 C CB -1.340 26.286 27.740 -0.190 0.000 2.036 1038 C HN 0.629 nan 8.230 nan 0.000 0.484 1039 T N 0.460 115.011 114.554 -0.005 0.000 2.788 1039 T HA -0.096 4.235 4.350 -0.032 0.000 0.268 1039 T C 2.021 176.722 174.700 0.002 0.000 1.044 1039 T CA 1.608 63.717 62.100 0.015 0.000 1.139 1039 T CB -0.287 68.565 68.868 -0.027 0.000 0.867 1039 T HN 0.669 nan 8.240 nan 0.000 0.454 1040 A N 0.647 123.437 122.820 -0.050 0.000 1.929 1040 A HA 0.034 4.335 4.320 -0.032 0.000 0.216 1040 A C 2.502 180.093 177.584 0.012 0.000 1.176 1040 A CA 0.927 52.933 52.037 -0.053 0.000 0.628 1040 A CB -0.749 18.178 19.000 -0.121 0.000 0.816 1040 A HN 0.354 nan 8.150 nan 0.000 0.444 1041 V N 0.223 120.166 119.914 0.048 0.000 2.515 1041 V HA -0.234 3.867 4.120 -0.032 0.000 0.250 1041 V C 2.396 178.658 176.094 0.281 0.000 1.058 1041 V CA 2.164 64.584 62.300 0.200 0.000 1.064 1041 V CB -0.604 31.311 31.823 0.154 0.000 0.675 1041 V HN 0.514 nan 8.190 nan 0.000 0.461 1042 K N 0.150 120.700 120.400 0.251 0.000 2.097 1042 K HA -0.096 4.205 4.320 -0.032 0.000 0.205 1042 K C 2.267 178.894 176.600 0.045 0.000 1.050 1042 K CA 1.425 57.803 56.287 0.152 0.000 0.938 1042 K CB -0.313 32.245 32.500 0.097 0.000 0.718 1042 K HN 0.479 nan 8.250 nan 0.000 0.442 1043 A N 0.997 123.830 122.820 0.021 0.000 1.968 1043 A HA -0.077 4.224 4.320 -0.032 0.000 0.217 1043 A C 2.001 179.548 177.584 -0.061 0.000 1.169 1043 A CA 1.034 53.056 52.037 -0.025 0.000 0.638 1043 A CB -0.372 18.611 19.000 -0.028 0.000 0.812 1043 A HN 0.156 nan 8.150 nan 0.000 0.446 1044 I N -1.213 119.317 120.570 -0.067 0.000 2.286 1044 I HA -0.161 3.990 4.170 -0.032 0.000 0.245 1044 I C 2.766 178.679 176.117 -0.340 0.000 1.104 1044 I CA 1.228 62.418 61.300 -0.183 0.000 1.397 1044 I CB -0.244 37.652 38.000 -0.175 0.000 1.072 1044 I HN 0.351 nan 8.210 nan 0.000 0.417 1045 S N 0.340 115.879 115.700 -0.270 0.000 2.365 1045 S HA -0.220 4.231 4.470 -0.032 0.000 0.225 1045 S C 2.072 176.590 174.600 -0.138 0.000 1.039 1045 S CA 2.421 60.494 58.200 -0.211 0.000 1.033 1045 S CB -0.340 62.905 63.200 0.075 0.000 0.887 1045 S HN 0.448 nan 8.310 nan 0.000 0.447 1046 T N 1.585 116.081 114.554 -0.096 0.000 2.867 1046 T HA 0.106 4.437 4.350 -0.032 0.000 0.268 1046 T C 1.992 176.631 174.700 -0.103 0.000 1.057 1046 T CA 1.110 63.161 62.100 -0.082 0.000 1.136 1046 T CB -0.471 68.359 68.868 -0.065 0.000 0.874 1046 T HN 0.498 nan 8.240 nan 0.000 0.466 1047 A N 0.880 123.624 122.820 -0.126 0.000 1.897 1047 A HA 0.052 4.353 4.320 -0.032 0.000 0.215 1047 A C 2.538 180.031 177.584 -0.152 0.000 1.181 1047 A CA 0.888 52.845 52.037 -0.133 0.000 0.620 1047 A CB -0.807 18.117 19.000 -0.126 0.000 0.821 1047 A HN 0.341 nan 8.150 nan 0.000 0.443 1048 V N -0.131 119.680 119.914 -0.172 0.000 2.358 1048 V HA -0.174 3.926 4.120 -0.032 0.000 0.246 1048 V C 2.558 178.609 176.094 -0.072 0.000 1.047 1048 V CA 2.031 64.251 62.300 -0.133 0.000 1.035 1048 V CB -0.735 30.957 31.823 -0.217 0.000 0.658 1048 V HN 0.408 nan 8.190 nan 0.000 0.452 1049 R N 1.013 121.467 120.500 -0.076 0.000 2.285 1049 R HA -0.066 4.255 4.340 -0.032 0.000 0.213 1049 R C 1.593 177.859 176.300 -0.057 0.000 1.068 1049 R CA 0.878 56.953 56.100 -0.042 0.000 1.004 1049 R CB -0.302 29.976 30.300 -0.037 0.000 0.873 1049 R HN 0.742 nan 8.270 nan 0.000 0.467 1050 K N -2.413 117.926 120.400 -0.102 0.000 2.734 1050 K HA 0.390 4.691 4.320 -0.032 0.000 0.200 1050 K C 0.900 177.357 176.600 -0.239 0.000 1.120 1050 K CA 0.322 56.528 56.287 -0.136 0.000 1.067 1050 K CB 0.718 33.145 32.500 -0.120 0.000 0.771 1050 K HN -0.063 nan 8.250 nan 0.000 0.481 1051 A N 1.291 123.928 122.820 -0.306 0.000 1.978 1051 A HA -0.035 4.265 4.320 -0.032 0.000 0.220 1051 A C 2.133 179.184 177.584 -0.889 0.000 1.170 1051 A CA 1.907 53.600 52.037 -0.573 0.000 0.636 1051 A CB -0.926 17.691 19.000 -0.638 0.000 0.810 1051 A HN 0.562 nan 8.150 nan 0.000 0.448 1052 G N 0.124 108.465 108.800 -0.766 0.000 2.433 1052 G HA2 -0.180 3.761 3.960 -0.032 0.000 0.216 1052 G HA3 -0.180 3.761 3.960 -0.032 0.000 0.216 1052 G C 1.529 176.150 174.900 -0.464 0.000 1.186 1052 G CA 1.087 45.889 45.100 -0.496 0.000 0.779 1052 G HN 0.467 nan 8.290 nan 0.000 0.543 1053 I N 1.554 121.893 120.570 -0.385 0.000 2.127 1053 I HA -0.218 3.933 4.170 -0.032 0.000 0.241 1053 I C 3.103 178.783 176.117 -0.727 0.000 1.075 1053 I CA 1.258 62.291 61.300 -0.445 0.000 1.334 1053 I CB -0.163 37.693 38.000 -0.239 0.000 1.040 1053 I HN 0.234 nan 8.210 nan 0.000 0.405 1054 A N -0.978 121.558 122.820 -0.473 0.000 2.239 1054 A HA -0.128 4.173 4.320 -0.032 0.000 0.209 1054 A C 0.623 178.052 177.584 -0.257 0.000 1.171 1054 A CA 0.387 52.235 52.037 -0.316 0.000 0.768 1054 A CB -0.765 18.114 19.000 -0.201 0.000 0.790 1054 A HN 0.639 nan 8.150 nan 0.000 0.478 1055 H N -2.070 116.896 119.070 -0.174 0.000 2.770 1055 H HA -0.142 4.397 4.556 -0.027 0.000 0.309 1055 H C 0.647 175.893 175.328 -0.137 0.000 1.206 1055 H CA 1.108 57.076 56.048 -0.134 0.000 1.147 1055 H CB -1.971 27.753 29.762 -0.064 0.000 1.422 1055 H HN 0.542 nan 8.280 nan 0.000 0.420 1056 L N -0.821 120.281 121.223 -0.202 0.000 2.567 1056 L HA 0.074 4.395 4.340 -0.032 0.000 0.225 1056 L C 1.204 178.047 176.870 -0.045 0.000 1.119 1056 L CA 0.276 55.034 54.840 -0.138 0.000 0.871 1056 L CB 0.022 41.968 42.059 -0.189 0.000 1.036 1056 L HN 0.194 nan 8.230 nan 0.000 0.459 1057 Y N 0.384 120.697 120.300 0.022 0.000 2.357 1057 Y HA 0.415 4.947 4.550 -0.030 0.000 0.340 1057 Y C 1.227 177.146 175.900 0.031 0.000 1.260 1057 Y CA -0.012 58.101 58.100 0.022 0.000 1.425 1057 Y CB 0.671 39.144 38.460 0.022 0.000 1.326 1057 Y HN 0.103 nan 8.280 nan 0.000 0.580 1058 G N 0.570 109.493 108.800 0.205 0.000 2.541 1058 G HA2 0.001 3.942 3.960 -0.032 0.000 0.686 1058 G HA3 0.001 3.942 3.960 -0.032 0.000 0.686 1058 G C -1.413 173.536 174.900 0.082 0.000 1.286 1058 G CA -0.724 44.445 45.100 0.115 0.000 0.894 1058 G HN 0.698 nan 8.290 nan 0.000 0.575 1059 I N -1.766 118.838 120.570 0.056 0.000 3.078 1059 I HA 0.860 5.011 4.170 -0.032 0.000 0.318 1059 I C 1.473 177.612 176.117 0.036 0.000 1.016 1059 I CA -0.150 61.176 61.300 0.043 0.000 1.130 1059 I CB 1.040 39.060 38.000 0.033 0.000 1.397 1059 I HN 1.399 nan 8.210 nan 0.000 0.570 1060 A N 1.248 124.085 122.820 0.029 0.000 2.252 1060 A HA 0.542 4.843 4.320 -0.032 0.000 0.213 1060 A C 1.458 179.052 177.584 0.016 0.000 1.188 1060 A CA 0.224 52.274 52.037 0.021 0.000 0.863 1060 A CB -0.989 18.022 19.000 0.019 0.000 0.893 1060 A HN 1.881 nan 8.150 nan 0.000 0.495 1061 G N 0.351 109.161 108.800 0.016 0.000 2.368 1061 G HA2 0.051 3.992 3.960 -0.032 0.000 0.290 1061 G HA3 0.051 3.992 3.960 -0.032 0.000 0.290 1061 G C -0.017 174.888 174.900 0.009 0.000 1.098 1061 G CA 0.562 45.670 45.100 0.012 0.000 1.073 1061 G HN 1.799 nan 8.290 nan 0.000 0.511 1062 S N -1.762 113.943 115.700 0.008 0.000 2.552 1062 S HA 0.819 5.270 4.470 -0.032 0.000 0.272 1062 S C -0.726 173.874 174.600 0.001 0.000 1.150 1062 S CA -0.273 57.929 58.200 0.003 0.000 0.849 1062 S CB 2.323 65.524 63.200 0.002 0.000 1.113 1062 S HN 0.854 nan 8.310 nan 0.000 0.458 1063 T N 2.305 116.856 114.554 -0.006 0.000 2.863 1063 T HA 0.555 4.886 4.350 -0.032 0.000 0.285 1063 T C 0.372 175.055 174.700 -0.029 0.000 1.009 1063 T CA -0.563 61.530 62.100 -0.011 0.000 0.989 1063 T CB 1.306 70.169 68.868 -0.007 0.000 1.004 1063 T HN 0.601 nan 8.240 nan 0.000 0.455 1064 N N 0.722 119.398 118.700 -0.041 0.000 2.200 1064 N HA 0.020 4.741 4.740 -0.032 0.000 0.260 1064 N C 1.995 177.441 175.510 -0.108 0.000 1.279 1064 N CA 0.353 53.354 53.050 -0.083 0.000 0.929 1064 N CB -0.279 38.154 38.487 -0.089 0.000 1.007 1064 N HN 0.450 nan 8.380 nan 0.000 0.439 1065 V N -3.555 116.246 119.914 -0.189 0.000 2.500 1065 V HA 0.087 4.188 4.120 -0.032 0.000 0.243 1065 V C 1.310 177.346 176.094 -0.095 0.000 1.039 1065 V CA 1.739 63.922 62.300 -0.195 0.000 1.053 1065 V CB -0.673 30.869 31.823 -0.468 0.000 0.695 1065 V HN 0.589 nan 8.190 nan 0.000 0.463 1066 T N -0.786 113.723 114.554 -0.076 0.000 2.978 1066 T HA 0.564 4.894 4.350 -0.032 0.000 0.248 1066 T C 1.046 175.738 174.700 -0.013 0.000 1.018 1066 T CA 0.662 62.747 62.100 -0.026 0.000 1.026 1066 T CB 0.822 69.686 68.868 -0.007 0.000 1.032 1066 T HN 1.141 nan 8.240 nan 0.000 0.485 1067 G N 1.306 110.097 108.800 -0.015 0.000 3.021 1067 G HA2 0.435 4.376 3.960 -0.032 0.000 0.243 1067 G HA3 0.435 4.376 3.960 -0.032 0.000 0.243 1067 G C -2.204 172.702 174.900 0.009 0.000 3.652 1067 G CA -0.730 44.371 45.100 0.001 0.000 0.499 1067 G HN 0.083 nan 8.290 nan 0.000 0.342 1068 D N -0.119 120.284 120.400 0.005 0.000 2.837 1068 D HA 0.446 5.067 4.640 -0.032 0.000 0.220 1068 D C -0.414 175.894 176.300 0.013 0.000 1.236 1068 D CA -0.449 53.560 54.000 0.015 0.000 0.838 1068 D CB 2.179 42.987 40.800 0.014 0.000 1.647 1068 D HN 0.283 nan 8.370 nan 0.000 0.486 1069 Q N 1.483 121.296 119.800 0.022 0.000 2.406 1069 Q HA 0.430 4.751 4.340 -0.032 0.000 0.242 1069 Q C -1.056 174.958 176.000 0.024 0.000 1.036 1069 Q CA -0.507 55.309 55.803 0.021 0.000 0.904 1069 Q CB 0.871 29.624 28.738 0.026 0.000 1.244 1069 Q HN 0.265 nan 8.270 nan 0.000 0.478 1070 V N 6.054 125.979 119.914 0.017 0.000 2.452 1070 V HA -0.027 4.074 4.120 -0.032 0.000 0.286 1070 V C 0.317 176.428 176.094 0.028 0.000 0.995 1070 V CA 0.216 62.527 62.300 0.018 0.000 1.116 1070 V CB -0.280 31.548 31.823 0.009 0.000 0.954 1070 V HN 0.633 nan 8.190 nan 0.000 0.473 1071 K N 4.776 125.198 120.400 0.037 0.000 2.098 1071 K HA 0.369 4.670 4.320 -0.032 0.000 0.244 1071 K C 1.120 177.747 176.600 0.045 0.000 1.014 1071 K CA -0.617 55.699 56.287 0.049 0.000 0.917 1071 K CB 0.721 33.259 32.500 0.063 0.000 1.072 1071 K HN 0.413 nan 8.250 nan 0.000 0.477 1072 K N 0.585 121.015 120.400 0.052 0.000 2.057 1072 K HA -0.044 4.257 4.320 -0.032 0.000 0.207 1072 K C 1.970 178.586 176.600 0.028 0.000 1.049 1072 K CA 1.090 57.399 56.287 0.036 0.000 0.931 1072 K CB -0.165 32.357 32.500 0.036 0.000 0.714 1072 K HN 0.274 nan 8.250 nan 0.000 0.440 1073 L N 1.313 122.559 121.223 0.038 0.000 2.265 1073 L HA -0.189 4.132 4.340 -0.032 0.000 0.215 1073 L C 1.750 178.639 176.870 0.032 0.000 1.117 1073 L CA 0.851 55.706 54.840 0.025 0.000 0.782 1073 L CB -0.420 41.664 42.059 0.042 0.000 0.914 1073 L HN 0.214 nan 8.230 nan 0.000 0.441 1074 D N -0.280 120.145 120.400 0.041 0.000 2.084 1074 D HA -0.147 4.474 4.640 -0.032 0.000 0.194 1074 D C 2.302 178.624 176.300 0.038 0.000 0.990 1074 D CA 1.184 55.210 54.000 0.044 0.000 0.826 1074 D CB -0.154 40.667 40.800 0.036 0.000 0.971 1074 D HN 0.072 nan 8.370 nan 0.000 0.453 1075 V N 1.450 121.381 119.914 0.028 0.000 2.255 1075 V HA -0.233 3.868 4.120 -0.032 0.000 0.247 1075 V C 2.513 178.619 176.094 0.020 0.000 1.051 1075 V CA 1.330 63.643 62.300 0.023 0.000 1.018 1075 V CB -0.608 31.225 31.823 0.016 0.000 0.641 1075 V HN 0.141 nan 8.190 nan 0.000 0.445 1076 L N 1.495 122.724 121.223 0.011 0.000 1.970 1076 L HA -0.191 4.129 4.340 -0.032 0.000 0.212 1076 L C 2.744 179.614 176.870 -0.000 0.000 1.071 1076 L CA 2.819 57.657 54.840 -0.003 0.000 0.751 1076 L CB -1.252 40.797 42.059 -0.017 0.000 0.889 1076 L HN 0.524 nan 8.230 nan 0.000 0.432 1077 S N -0.738 114.967 115.700 0.008 0.000 2.400 1077 S HA -0.247 4.204 4.470 -0.032 0.000 0.232 1077 S C 1.960 176.584 174.600 0.040 0.000 1.025 1077 S CA 1.461 59.673 58.200 0.019 0.000 0.993 1077 S CB -1.094 62.133 63.200 0.045 0.000 0.808 1077 S HN 0.652 nan 8.310 nan 0.000 0.478 1078 N N 2.126 120.867 118.700 0.069 0.000 2.142 1078 N HA -0.078 4.643 4.740 -0.032 0.000 0.186 1078 N C 1.207 176.762 175.510 0.076 0.000 1.023 1078 N CA 1.661 54.785 53.050 0.122 0.000 0.852 1078 N CB -0.572 37.981 38.487 0.110 0.000 0.998 1078 N HN 0.348 nan 8.380 nan 0.000 0.424 1079 D N 0.370 120.791 120.400 0.034 0.000 2.092 1079 D HA -0.147 4.474 4.640 -0.032 0.000 0.193 1079 D C 2.086 178.373 176.300 -0.022 0.000 0.994 1079 D CA 0.765 54.771 54.000 0.010 0.000 0.828 1079 D CB -0.496 40.304 40.800 0.001 0.000 0.963 1079 D HN 0.277 nan 8.370 nan 0.000 0.450 1080 L N 0.403 121.605 121.223 -0.035 0.000 1.971 1080 L HA -0.206 4.114 4.340 -0.032 0.000 0.215 1080 L C 2.622 179.423 176.870 -0.115 0.000 1.072 1080 L CA 0.968 55.770 54.840 -0.064 0.000 0.758 1080 L CB -0.536 41.489 42.059 -0.056 0.000 0.889 1080 L HN -0.027 nan 8.230 nan 0.000 0.433 1081 V N -0.284 119.535 119.914 -0.159 0.000 2.343 1081 V HA -0.299 3.802 4.120 -0.032 0.000 0.247 1081 V C 2.397 178.292 176.094 -0.332 0.000 1.051 1081 V CA 1.430 63.525 62.300 -0.342 0.000 1.036 1081 V CB -0.420 31.029 31.823 -0.624 0.000 0.654 1081 V HN 0.286 nan 8.190 nan 0.000 0.451 1082 I N 0.722 121.190 120.570 -0.171 0.000 2.113 1082 I HA -0.178 3.973 4.170 -0.032 0.000 0.238 1082 I C 2.372 178.440 176.117 -0.081 0.000 1.070 1082 I CA 1.634 62.900 61.300 -0.058 0.000 1.332 1082 I CB -1.535 36.502 38.000 0.062 0.000 1.044 1082 I HN 0.372 nan 8.210 nan 0.000 0.402 1083 N N 1.000 119.656 118.700 -0.074 0.000 2.094 1083 N HA -0.157 4.564 4.740 -0.032 0.000 0.191 1083 N C 1.908 177.348 175.510 -0.116 0.000 1.023 1083 N CA 1.835 54.836 53.050 -0.082 0.000 0.857 1083 N CB -0.653 37.795 38.487 -0.065 0.000 1.013 1083 N HN 0.472 nan 8.380 nan 0.000 0.426 1084 V N -1.563 118.270 119.914 -0.135 0.000 2.591 1084 V HA 0.040 4.141 4.120 -0.032 0.000 0.249 1084 V C 2.093 178.084 176.094 -0.172 0.000 1.053 1084 V CA 0.935 63.145 62.300 -0.149 0.000 1.068 1084 V CB -0.749 30.986 31.823 -0.148 0.000 0.689 1084 V HN 0.114 nan 8.190 nan 0.000 0.462 1085 L N -0.286 120.827 121.223 -0.184 0.000 2.093 1085 L HA -0.086 4.235 4.340 -0.032 0.000 0.208 1085 L C 2.873 179.661 176.870 -0.137 0.000 1.085 1085 L CA 1.889 56.631 54.840 -0.163 0.000 0.755 1085 L CB -0.552 41.412 42.059 -0.158 0.000 0.904 1085 L HN 0.286 nan 8.230 nan 0.000 0.435 1086 K N 0.086 120.406 120.400 -0.135 0.000 2.026 1086 K HA -0.127 4.174 4.320 -0.032 0.000 0.208 1086 K C 2.022 178.447 176.600 -0.292 0.000 1.048 1086 K CA 1.790 57.987 56.287 -0.150 0.000 0.929 1086 K CB -0.121 32.313 32.500 -0.111 0.000 0.713 1086 K HN 0.319 nan 8.250 nan 0.000 0.439 1087 S N 0.303 115.813 115.700 -0.318 0.000 2.650 1087 S HA -0.030 4.421 4.470 -0.032 0.000 0.219 1087 S C 1.606 175.835 174.600 -0.620 0.000 0.960 1087 S CA 0.652 58.543 58.200 -0.515 0.000 0.925 1087 S CB 0.003 63.024 63.200 -0.298 0.000 0.775 1087 S HN 0.242 nan 8.310 nan 0.000 0.525 1088 S N 0.859 116.332 115.700 -0.379 0.000 2.496 1088 S HA 0.136 4.587 4.470 -0.032 0.000 0.224 1088 S C 0.523 175.109 174.600 -0.024 0.000 0.996 1088 S CA -0.306 57.792 58.200 -0.171 0.000 0.927 1088 S CB -1.118 62.024 63.200 -0.095 0.000 0.774 1088 S HN 0.448 nan 8.310 nan 0.000 0.524 1089 F N 0.303 120.257 119.950 0.007 0.000 3.091 1089 F HA -0.225 4.283 4.527 -0.032 0.000 0.288 1089 F C 1.031 176.856 175.800 0.041 0.000 0.907 1089 F CA 0.316 58.327 58.000 0.019 0.000 1.028 1089 F CB -1.925 37.083 39.000 0.012 0.000 1.022 1089 F HN 0.457 nan 8.300 nan 0.000 0.665 1090 A N -1.599 121.315 122.820 0.157 0.000 2.653 1090 A HA 0.505 4.806 4.320 -0.032 0.000 0.248 1090 A C 0.753 178.476 177.584 0.232 0.000 1.211 1090 A CA 0.617 52.778 52.037 0.207 0.000 0.991 1090 A CB 0.334 19.451 19.000 0.195 0.000 1.252 1090 A HN 0.491 nan 8.150 nan 0.000 0.593 1091 T N -3.745 110.893 114.554 0.140 0.000 2.916 1091 T HA 0.502 4.833 4.350 -0.032 0.000 0.292 1091 T C 0.579 175.334 174.700 0.092 0.000 1.055 1091 T CA -0.001 62.181 62.100 0.136 0.000 1.009 1091 T CB 1.490 70.419 68.868 0.101 0.000 1.118 1091 T HN 0.746 nan 8.240 nan 0.000 0.497 1092 C N 0.010 119.364 119.300 0.090 0.000 3.484 1092 C HA 0.641 5.082 4.460 -0.032 0.000 0.543 1092 C C -0.033 174.995 174.990 0.064 0.000 1.395 1092 C CA -0.361 58.695 59.018 0.063 0.000 2.412 1092 C CB -0.549 27.218 27.740 0.046 0.000 3.532 1092 C HN 0.677 nan 8.230 nan 0.000 0.584 1093 V N 2.496 122.460 119.914 0.084 0.000 2.577 1093 V HA 0.575 4.676 4.120 -0.032 0.000 0.303 1093 V C -0.859 175.305 176.094 0.116 0.000 1.042 1093 V CA -0.169 62.180 62.300 0.082 0.000 0.872 1093 V CB 1.787 33.650 31.823 0.067 0.000 0.998 1093 V HN 0.388 nan 8.190 nan 0.000 0.423 1094 L N 4.850 126.139 121.223 0.111 0.000 2.362 1094 L HA 0.720 5.041 4.340 -0.032 0.000 0.275 1094 L C -0.829 176.084 176.870 0.072 0.000 0.998 1094 L CA -0.863 54.075 54.840 0.164 0.000 0.820 1094 L CB 2.196 44.395 42.059 0.232 0.000 1.270 1094 L HN 0.341 nan 8.230 nan 0.000 0.415 1095 V N 1.883 121.804 119.914 0.013 0.000 2.378 1095 V HA 0.429 4.530 4.120 -0.032 0.000 0.288 1095 V C -0.114 175.662 176.094 -0.530 0.000 1.016 1095 V CA -0.278 61.944 62.300 -0.131 0.000 0.840 1095 V CB 1.725 33.542 31.823 -0.011 0.000 0.994 1095 V HN 0.808 nan 8.190 nan 0.000 0.431 1096 S N 2.708 118.073 115.700 -0.559 0.000 2.503 1096 S HA 0.357 4.808 4.470 -0.032 0.000 0.301 1096 S C 0.913 175.137 174.600 -0.626 0.000 1.087 1096 S CA -0.504 57.124 58.200 -0.953 0.000 1.042 1096 S CB 1.859 64.601 63.200 -0.763 0.000 1.043 1096 S HN 0.877 nan 8.310 nan 0.000 0.489 1097 E N 1.815 121.399 120.200 -1.027 0.000 2.147 1097 E HA -0.205 4.126 4.350 -0.032 0.000 0.199 1097 E C 0.734 177.149 176.600 -0.307 0.000 1.005 1097 E CA 1.517 57.464 56.400 -0.756 0.000 0.810 1097 E CB 0.068 29.411 29.700 -0.594 0.000 0.736 1097 E HN 0.659 nan 8.360 nan 0.000 0.460 1098 E N 0.618 120.674 120.200 -0.241 0.000 2.427 1098 E HA -0.003 4.328 4.350 -0.032 0.000 0.196 1098 E C -0.272 176.272 176.600 -0.094 0.000 1.028 1098 E CA 0.493 56.818 56.400 -0.125 0.000 0.864 1098 E CB 0.089 29.754 29.700 -0.058 0.000 0.813 1098 E HN 0.249 nan 8.360 nan 0.000 0.514 1099 D N 0.591 120.942 120.400 -0.081 0.000 2.391 1099 D HA 0.071 4.692 4.640 -0.032 0.000 0.245 1099 D C 0.933 177.301 176.300 0.114 0.000 1.069 1099 D CA -0.283 53.715 54.000 -0.002 0.000 0.831 1099 D CB 2.261 43.062 40.800 0.002 0.000 1.204 1099 D HN -0.142 nan 8.370 nan 0.000 0.503 1100 K N 2.454 122.898 120.400 0.073 0.000 2.015 1100 K HA -0.198 4.103 4.320 -0.032 0.000 0.216 1100 K C 0.077 176.825 176.600 0.247 0.000 1.052 1100 K CA 1.344 57.713 56.287 0.138 0.000 0.937 1100 K CB 0.156 32.686 32.500 0.051 0.000 0.719 1100 K HN 0.346 nan 8.250 nan 0.000 0.446 1101 N N -0.739 118.035 118.700 0.122 0.000 2.430 1101 N HA 0.337 5.058 4.740 -0.032 0.000 0.298 1101 N C -1.279 174.257 175.510 0.043 0.000 1.130 1101 N CA -0.481 52.612 53.050 0.071 0.000 0.894 1101 N CB 1.723 40.236 38.487 0.043 0.000 1.209 1101 N HN 0.302 nan 8.380 nan 0.000 0.503 1102 A N 1.216 124.041 122.820 0.009 0.000 2.466 1102 A HA 0.223 4.524 4.320 -0.032 0.000 0.238 1102 A C -0.235 177.361 177.584 0.020 0.000 1.074 1102 A CA 0.025 52.063 52.037 0.002 0.000 0.774 1102 A CB -0.001 18.994 19.000 -0.008 0.000 1.015 1102 A HN 0.525 nan 8.150 nan 0.000 0.498 1103 I N 2.325 122.913 120.570 0.031 0.000 2.331 1103 I HA 0.239 4.390 4.170 -0.032 0.000 0.292 1103 I C -0.444 175.698 176.117 0.042 0.000 0.998 1103 I CA -0.423 60.901 61.300 0.041 0.000 1.267 1103 I CB 0.854 38.889 38.000 0.059 0.000 1.386 1103 I HN 0.375 nan 8.210 nan 0.000 0.476 1104 I N 7.047 127.637 120.570 0.033 0.000 2.331 1104 I HA 0.225 4.376 4.170 -0.032 0.000 0.292 1104 I C 0.326 176.462 176.117 0.030 0.000 0.998 1104 I CA -0.540 60.779 61.300 0.032 0.000 1.267 1104 I CB 1.047 39.061 38.000 0.024 0.000 1.386 1104 I HN 0.117 nan 8.210 nan 0.000 0.476 1105 V N 5.797 125.732 119.914 0.034 0.000 2.637 1105 V HA 0.051 4.152 4.120 -0.032 0.000 0.296 1105 V C 0.710 176.819 176.094 0.025 0.000 1.046 1105 V CA -0.771 61.544 62.300 0.026 0.000 1.066 1105 V CB 0.221 32.061 31.823 0.028 0.000 0.968 1105 V HN 0.927 nan 8.190 nan 0.000 0.483 1106 E N 6.172 126.383 120.200 0.019 0.000 2.481 1106 E HA -0.046 4.285 4.350 -0.032 0.000 0.263 1106 E C -1.955 174.667 176.600 0.036 0.000 0.992 1106 E CA -0.874 55.540 56.400 0.024 0.000 0.938 1106 E CB 0.194 29.906 29.700 0.020 0.000 0.933 1106 E HN 0.387 nan 8.360 nan 0.000 0.453 1107 P HA -0.239 nan 4.420 nan 0.000 0.216 1107 P C 0.827 178.164 177.300 0.061 0.000 1.157 1107 P CA 1.391 64.516 63.100 0.041 0.000 0.880 1107 P CB 0.132 31.851 31.700 0.032 0.000 0.791 1108 E N -0.355 119.887 120.200 0.070 0.000 2.110 1108 E HA -0.149 4.181 4.350 -0.032 0.000 0.193 1108 E C 1.577 178.291 176.600 0.189 0.000 0.988 1108 E CA 1.326 57.788 56.400 0.105 0.000 0.804 1108 E CB -0.572 29.188 29.700 0.100 0.000 0.745 1108 E HN 0.313 nan 8.360 nan 0.000 0.458 1109 K N 0.078 120.578 120.400 0.167 0.000 2.404 1109 K HA 0.132 4.433 4.320 -0.032 0.000 0.194 1109 K C 0.265 176.968 176.600 0.171 0.000 1.023 1109 K CA -0.137 56.275 56.287 0.209 0.000 1.094 1109 K CB 0.421 32.885 32.500 -0.059 0.000 0.841 1109 K HN -0.060 nan 8.250 nan 0.000 0.523 1110 R N 0.592 121.168 120.500 0.125 0.000 2.570 1110 R HA 0.101 4.422 4.340 -0.032 0.000 0.277 1110 R C 0.552 176.923 176.300 0.119 0.000 1.039 1110 R CA 0.209 56.367 56.100 0.096 0.000 1.065 1110 R CB 0.643 30.981 30.300 0.064 0.000 0.964 1110 R HN 0.152 nan 8.270 nan 0.000 0.428 1111 G N 0.603 109.466 108.800 0.105 0.000 3.108 1111 G HA2 0.265 4.206 3.960 -0.032 0.000 0.268 1111 G HA3 0.265 4.206 3.960 -0.032 0.000 0.268 1111 G C -0.156 174.767 174.900 0.039 0.000 1.361 1111 G CA -0.728 44.432 45.100 0.100 0.000 1.047 1111 G HN 0.617 nan 8.290 nan 0.000 0.540 1112 K N -1.252 119.121 120.400 -0.045 0.000 2.387 1112 K HA 0.289 4.590 4.320 -0.032 0.000 0.198 1112 K C -0.863 175.572 176.600 -0.275 0.000 1.022 1112 K CA -0.087 56.087 56.287 -0.188 0.000 1.128 1112 K CB 0.082 32.401 32.500 -0.301 0.000 0.853 1112 K HN 0.321 nan 8.250 nan 0.000 0.523 1113 Y N 0.524 120.854 120.300 0.050 0.000 2.446 1113 Y HA 0.375 4.907 4.550 -0.030 0.000 0.338 1113 Y C -0.127 175.820 175.900 0.078 0.000 1.055 1113 Y CA -1.299 56.838 58.100 0.061 0.000 1.101 1113 Y CB 1.922 40.409 38.460 0.044 0.000 1.221 1113 Y HN -0.297 nan 8.280 nan 0.000 0.460 1114 V N 3.947 124.039 119.914 0.296 0.000 2.394 1114 V HA 0.487 4.588 4.120 -0.032 0.000 0.282 1114 V C -0.667 175.589 176.094 0.270 0.000 1.031 1114 V CA -0.804 61.644 62.300 0.247 0.000 0.881 1114 V CB 1.291 33.253 31.823 0.233 0.000 0.982 1114 V HN 0.510 nan 8.190 nan 0.000 0.451 1115 V N 3.792 123.850 119.914 0.240 0.000 2.487 1115 V HA 0.402 4.502 4.120 -0.032 0.000 0.298 1115 V C -0.283 176.005 176.094 0.323 0.000 1.028 1115 V CA -0.506 61.948 62.300 0.257 0.000 0.860 1115 V CB 1.736 33.690 31.823 0.219 0.000 0.991 1115 V HN 0.944 nan 8.190 nan 0.000 0.427 1116 C N 6.441 125.926 119.300 0.308 0.000 2.303 1116 C HA 0.873 5.314 4.460 -0.032 0.000 0.326 1116 C C -0.210 174.981 174.990 0.334 0.000 1.285 1116 C CA -0.745 58.429 59.018 0.260 0.000 1.675 1116 C CB -0.506 27.404 27.740 0.284 0.000 2.289 1116 C HN 0.835 nan 8.230 nan 0.000 0.512 1117 F N 0.523 120.557 119.950 0.140 0.000 2.626 1117 F HA 0.661 5.170 4.527 -0.030 0.000 0.311 1117 F C -0.915 174.870 175.800 -0.026 0.000 1.088 1117 F CA -1.225 56.852 58.000 0.129 0.000 0.949 1117 F CB 0.977 40.046 39.000 0.115 0.000 1.322 1117 F HN 0.308 nan 8.300 nan 0.000 0.461 1118 D N 3.306 123.844 120.400 0.230 0.000 2.454 1118 D HA 0.393 5.014 4.640 -0.032 0.000 0.225 1118 D C -1.769 174.694 176.300 0.272 0.000 1.081 1118 D CA -2.760 51.304 54.000 0.106 0.000 0.864 1118 D CB 1.642 42.560 40.800 0.197 0.000 1.040 1118 D HN 0.241 nan 8.370 nan 0.000 0.517 1119 P HA -0.080 nan 4.420 nan 0.000 0.216 1119 P C 0.158 177.592 177.300 0.223 0.000 1.150 1119 P CA 0.433 63.721 63.100 0.312 0.000 0.837 1119 P CB 0.654 32.520 31.700 0.276 0.000 0.786 1120 L N -0.257 121.072 121.223 0.177 0.000 2.446 1120 L HA 0.468 4.789 4.340 -0.032 0.000 0.268 1120 L C -1.306 175.648 176.870 0.140 0.000 0.975 1120 L CA -0.803 54.142 54.840 0.176 0.000 0.848 1120 L CB 1.708 43.847 42.059 0.133 0.000 1.225 1120 L HN -0.299 nan 8.230 nan 0.000 0.410 1121 D N 2.858 123.342 120.400 0.140 0.000 2.248 1121 D HA 0.722 5.343 4.640 -0.032 0.000 0.246 1121 D C 0.610 176.955 176.300 0.074 0.000 1.027 1121 D CA 0.679 54.737 54.000 0.097 0.000 0.853 1121 D CB 1.643 42.490 40.800 0.079 0.000 1.243 1121 D HN 0.826 nan 8.370 nan 0.000 0.462 1122 G N 1.730 110.567 108.800 0.061 0.000 2.181 1122 G HA2 -0.248 3.693 3.960 -0.032 0.000 0.152 1122 G HA3 -0.248 3.693 3.960 -0.032 0.000 0.152 1122 G C 1.163 176.096 174.900 0.054 0.000 1.026 1122 G CA 0.292 45.419 45.100 0.046 0.000 0.699 1122 G HN 0.459 nan 8.290 nan 0.000 0.497 1123 S N 0.326 116.063 115.700 0.062 0.000 2.393 1123 S HA -0.278 4.173 4.470 -0.032 0.000 0.234 1123 S C 2.740 177.367 174.600 0.045 0.000 1.064 1123 S CA 3.048 61.282 58.200 0.057 0.000 1.088 1123 S CB -0.229 63.007 63.200 0.058 0.000 0.939 1123 S HN 1.767 nan 8.310 nan 0.000 0.448 1124 S N 0.574 116.304 115.700 0.050 0.000 2.515 1124 S HA 0.089 4.540 4.470 -0.032 0.000 0.231 1124 S C 1.276 175.888 174.600 0.019 0.000 0.987 1124 S CA 0.695 58.920 58.200 0.042 0.000 0.936 1124 S CB -0.202 63.040 63.200 0.069 0.000 0.766 1124 S HN 0.411 nan 8.310 nan 0.000 0.528 1125 N N 0.736 119.445 118.700 0.014 0.000 2.236 1125 N HA 0.311 5.032 4.740 -0.032 0.000 0.196 1125 N C 1.065 176.562 175.510 -0.022 0.000 1.114 1125 N CA -0.020 53.027 53.050 -0.005 0.000 0.859 1125 N CB 0.037 38.523 38.487 -0.002 0.000 0.982 1125 N HN 0.341 nan 8.380 nan 0.000 0.493 1126 I N 0.996 121.554 120.570 -0.021 0.000 2.163 1126 I HA -0.174 3.976 4.170 -0.032 0.000 0.240 1126 I C 1.144 177.139 176.117 -0.204 0.000 1.081 1126 I CA 1.314 62.594 61.300 -0.032 0.000 1.353 1126 I CB -0.688 37.330 38.000 0.029 0.000 1.054 1126 I HN -0.017 nan 8.210 nan 0.000 0.407 1127 D N 0.373 120.619 120.400 -0.257 0.000 2.310 1127 D HA -0.101 4.520 4.640 -0.032 0.000 0.212 1127 D C 1.817 177.897 176.300 -0.366 0.000 0.965 1127 D CA 0.817 54.537 54.000 -0.468 0.000 0.879 1127 D CB -0.111 40.532 40.800 -0.261 0.000 0.921 1127 D HN 0.505 nan 8.370 nan 0.000 0.510 1128 C N -0.949 118.231 119.300 -0.199 0.000 2.780 1128 C HA 0.443 4.884 4.460 -0.032 0.000 0.287 1128 C C 0.906 175.841 174.990 -0.092 0.000 1.288 1128 C CA -0.695 58.248 59.018 -0.125 0.000 1.713 1128 C CB -1.155 26.544 27.740 -0.068 0.000 1.955 1128 C HN 0.141 nan 8.230 nan 0.000 0.613 1129 L N -0.094 121.062 121.223 -0.111 0.000 4.040 1129 L HA -0.147 4.174 4.340 -0.032 0.000 0.410 1129 L C 0.389 177.256 176.870 -0.004 0.000 1.187 1129 L CA 0.528 55.350 54.840 -0.030 0.000 0.956 1129 L CB -2.310 39.746 42.059 -0.006 0.000 2.022 1129 L HN 0.470 nan 8.230 nan 0.000 0.897 1130 V N -0.836 119.070 119.914 -0.012 0.000 2.904 1130 V HA 0.380 4.481 4.120 -0.032 0.000 0.305 1130 V C 1.272 177.376 176.094 0.016 0.000 1.067 1130 V CA -0.328 61.971 62.300 -0.002 0.000 1.044 1130 V CB 1.762 33.578 31.823 -0.013 0.000 1.050 1130 V HN 0.340 nan 8.190 nan 0.000 0.475 1131 S N 3.704 119.411 115.700 0.011 0.000 2.626 1131 S HA 0.154 4.605 4.470 -0.032 0.000 0.303 1131 S C -0.130 174.490 174.600 0.034 0.000 1.256 1131 S CA 0.208 58.422 58.200 0.024 0.000 1.069 1131 S CB -0.526 62.661 63.200 -0.021 0.000 0.807 1131 S HN 0.526 nan 8.310 nan 0.000 0.500 1132 I N -0.231 120.405 120.570 0.110 0.000 3.264 1132 I HA 1.063 5.214 4.170 -0.032 0.000 0.309 1132 I C 0.428 176.648 176.117 0.172 0.000 1.099 1132 I CA -1.137 60.251 61.300 0.147 0.000 0.989 1132 I CB 1.980 40.099 38.000 0.199 0.000 1.250 1132 I HN 0.626 nan 8.210 nan 0.000 0.478 1133 G N -0.087 108.811 108.800 0.163 0.000 2.619 1133 G HA2 0.632 4.573 3.960 -0.032 0.000 0.305 1133 G HA3 0.632 4.573 3.960 -0.032 0.000 0.305 1133 G C -1.703 173.266 174.900 0.115 0.000 1.330 1133 G CA -0.538 44.519 45.100 -0.072 0.000 0.789 1133 G HN 0.659 nan 8.290 nan 0.000 0.487 1134 T N 0.268 114.843 114.554 0.035 0.000 2.893 1134 T HA 0.662 4.993 4.350 -0.032 0.000 0.293 1134 T C -0.696 174.139 174.700 0.224 0.000 1.027 1134 T CA -0.149 62.066 62.100 0.191 0.000 0.988 1134 T CB 1.352 70.362 68.868 0.237 0.000 1.043 1134 T HN 0.468 nan 8.240 nan 0.000 0.461 1135 I N 3.725 124.455 120.570 0.266 0.000 2.545 1135 I HA 0.694 4.845 4.170 -0.032 0.000 0.292 1135 I C -1.045 175.267 176.117 0.324 0.000 1.040 1135 I CA -1.133 60.300 61.300 0.221 0.000 1.068 1135 I CB 1.653 39.738 38.000 0.141 0.000 1.251 1135 I HN 0.635 nan 8.210 nan 0.000 0.424 1136 F N 2.532 122.561 119.950 0.132 0.000 2.613 1136 F HA 0.950 5.457 4.527 -0.032 0.000 0.310 1136 F C -0.338 175.482 175.800 0.033 0.000 1.085 1136 F CA -1.052 57.019 58.000 0.118 0.000 0.945 1136 F CB 1.639 40.669 39.000 0.052 0.000 1.298 1136 F HN 0.417 nan 8.300 nan 0.000 0.455 1137 G N 2.570 111.443 108.800 0.121 0.000 2.666 1137 G HA2 0.676 4.617 3.960 -0.032 0.000 0.303 1137 G HA3 0.676 4.617 3.960 -0.032 0.000 0.303 1137 G C -1.753 173.052 174.900 -0.159 0.000 1.412 1137 G CA -0.884 44.132 45.100 -0.139 0.000 0.979 1137 G HN 0.776 nan 8.290 nan 0.000 0.507 1138 I N 1.660 122.056 120.570 -0.289 0.000 2.406 1138 I HA 0.391 4.541 4.170 -0.032 0.000 0.290 1138 I C -1.028 174.903 176.117 -0.310 0.000 0.999 1138 I CA -0.838 60.350 61.300 -0.186 0.000 1.124 1138 I CB 1.751 39.682 38.000 -0.115 0.000 1.289 1138 I HN 0.364 nan 8.210 nan 0.000 0.441 1139 Y N 4.446 124.823 120.300 0.127 0.000 2.429 1139 Y HA 0.507 5.038 4.550 -0.031 0.000 0.342 1139 Y C 0.287 176.316 175.900 0.215 0.000 1.004 1139 Y CA -0.878 57.296 58.100 0.123 0.000 1.075 1139 Y CB 1.391 39.888 38.460 0.062 0.000 1.214 1139 Y HN 0.374 nan 8.280 nan 0.000 0.455 1140 R N 2.307 122.996 120.500 0.314 0.000 2.389 1140 R HA 0.134 4.454 4.340 -0.032 0.000 0.295 1140 R C -0.076 176.254 176.300 0.049 0.000 1.075 1140 R CA -0.545 55.600 56.100 0.075 0.000 1.005 1140 R CB 0.657 30.958 30.300 0.001 0.000 0.987 1140 R HN 0.629 nan 8.270 nan 0.000 0.452 1141 K N 3.441 123.831 120.400 -0.017 0.000 2.379 1141 K HA -0.030 4.271 4.320 -0.032 0.000 0.284 1141 K C 0.095 176.678 176.600 -0.027 0.000 1.044 1141 K CA -0.206 56.076 56.287 -0.009 0.000 0.974 1141 K CB 0.646 33.138 32.500 -0.013 0.000 0.962 1141 K HN 0.483 nan 8.250 nan 0.000 0.474 1142 N N 1.455 120.143 118.700 -0.019 0.000 2.240 1142 N HA -0.110 4.611 4.740 -0.032 0.000 0.187 1142 N C 0.111 175.608 175.510 -0.021 0.000 1.042 1142 N CA 0.788 53.826 53.050 -0.020 0.000 0.861 1142 N CB -0.655 37.822 38.487 -0.017 0.000 1.026 1142 N HN 0.792 nan 8.380 nan 0.000 0.441 1143 S N 0.460 116.147 115.700 -0.021 0.000 2.536 1143 S HA -0.118 4.333 4.470 -0.032 0.000 0.294 1143 S C 1.201 175.791 174.600 -0.017 0.000 1.289 1143 S CA 0.997 59.186 58.200 -0.018 0.000 1.035 1143 S CB 0.324 63.513 63.200 -0.019 0.000 0.783 1143 S HN 0.523 nan 8.310 nan 0.000 0.497 1144 T N -1.822 112.724 114.554 -0.014 0.000 3.010 1144 T HA 0.216 4.547 4.350 -0.032 0.000 0.257 1144 T C -0.003 174.691 174.700 -0.009 0.000 1.020 1144 T CA 0.116 62.208 62.100 -0.013 0.000 0.938 1144 T CB -0.398 68.463 68.868 -0.011 0.000 1.049 1144 T HN 0.792 nan 8.240 nan 0.000 0.522 1145 D N 1.129 121.524 120.400 -0.009 0.000 2.423 1145 D HA 0.261 4.882 4.640 -0.032 0.000 0.255 1145 D C 0.051 176.348 176.300 -0.005 0.000 1.174 1145 D CA -0.765 53.231 54.000 -0.006 0.000 1.008 1145 D CB 0.443 41.239 40.800 -0.007 0.000 1.101 1145 D HN -0.043 nan 8.370 nan 0.000 0.516 1146 E N 0.764 120.963 120.200 -0.002 0.000 2.502 1146 E HA 0.081 4.412 4.350 -0.032 0.000 0.261 1146 E C -1.808 174.793 176.600 0.002 0.000 0.974 1146 E CA -0.992 55.409 56.400 0.002 0.000 0.936 1146 E CB -0.313 29.389 29.700 0.003 0.000 0.926 1146 E HN 0.380 nan 8.360 nan 0.000 0.459 1147 P HA -0.049 nan 4.420 nan 0.000 0.265 1147 P C -0.431 176.874 177.300 0.008 0.000 1.193 1147 P CA 0.288 63.394 63.100 0.009 0.000 0.765 1147 P CB 0.655 32.365 31.700 0.018 0.000 0.823 1148 S N 0.100 115.803 115.700 0.005 0.000 2.643 1148 S HA 0.184 4.635 4.470 -0.032 0.000 0.270 1148 S C 0.989 175.588 174.600 -0.003 0.000 1.166 1148 S CA -0.725 57.476 58.200 0.002 0.000 0.815 1148 S CB 1.372 64.570 63.200 -0.003 0.000 1.139 1148 S HN 0.387 nan 8.310 nan 0.000 0.472 1149 E N 1.047 121.242 120.200 -0.008 0.000 2.114 1149 E HA -0.227 4.104 4.350 -0.032 0.000 0.199 1149 E C 1.458 178.039 176.600 -0.032 0.000 1.008 1149 E CA 1.930 58.319 56.400 -0.019 0.000 0.810 1149 E CB -0.216 29.470 29.700 -0.023 0.000 0.739 1149 E HN 0.597 nan 8.360 nan 0.000 0.456 1150 K N 0.451 120.832 120.400 -0.032 0.000 2.173 1150 K HA -0.210 4.091 4.320 -0.032 0.000 0.207 1150 K C 1.598 178.164 176.600 -0.056 0.000 1.046 1150 K CA 1.437 57.698 56.287 -0.043 0.000 0.929 1150 K CB -0.255 32.224 32.500 -0.035 0.000 0.720 1150 K HN 0.314 nan 8.250 nan 0.000 0.453 1151 D N 0.919 121.295 120.400 -0.040 0.000 2.263 1151 D HA -0.110 4.511 4.640 -0.032 0.000 0.208 1151 D C 1.692 177.948 176.300 -0.072 0.000 0.971 1151 D CA 1.051 55.025 54.000 -0.043 0.000 0.867 1151 D CB 0.083 40.878 40.800 -0.008 0.000 0.929 1151 D HN 0.283 nan 8.370 nan 0.000 0.492 1152 A N 0.331 123.115 122.820 -0.061 0.000 2.123 1152 A HA 0.058 4.359 4.320 -0.032 0.000 0.214 1152 A C 1.571 179.056 177.584 -0.165 0.000 1.152 1152 A CA 0.009 52.002 52.037 -0.073 0.000 0.728 1152 A CB -0.158 18.834 19.000 -0.012 0.000 0.814 1152 A HN 0.146 nan 8.150 nan 0.000 0.464 1153 L N 1.417 122.552 121.223 -0.148 0.000 2.583 1153 L HA 0.155 4.476 4.340 -0.032 0.000 0.239 1153 L C -0.179 176.576 176.870 -0.191 0.000 1.347 1153 L CA -0.072 54.679 54.840 -0.148 0.000 1.246 1153 L CB -0.412 41.588 42.059 -0.098 0.000 1.496 1153 L HN 0.438 nan 8.230 nan 0.000 0.413 1154 Q N 1.837 121.443 119.800 -0.324 0.000 2.306 1154 Q HA 0.472 4.793 4.340 -0.032 0.000 0.265 1154 Q C -2.326 173.493 176.000 -0.301 0.000 1.022 1154 Q CA -2.081 53.495 55.803 -0.379 0.000 0.853 1154 Q CB 2.279 30.617 28.738 -0.667 0.000 1.327 1154 Q HN 0.083 nan 8.270 nan 0.000 0.449 1155 P HA -0.023 nan 4.420 nan 0.000 0.271 1155 P C 0.331 177.673 177.300 0.071 0.000 1.216 1155 P CA 0.141 63.220 63.100 -0.035 0.000 0.776 1155 P CB 0.747 32.443 31.700 -0.007 0.000 0.881 1156 G N 3.086 111.975 108.800 0.147 0.000 2.501 1156 G HA2 -0.233 3.708 3.960 -0.032 0.000 0.220 1156 G HA3 -0.233 3.708 3.960 -0.032 0.000 0.220 1156 G C 1.504 176.544 174.900 0.233 0.000 1.114 1156 G CA 0.097 45.348 45.100 0.252 0.000 0.757 1156 G HN 0.393 nan 8.290 nan 0.000 0.559 1157 R N 0.526 121.132 120.500 0.177 0.000 2.200 1157 R HA -0.027 4.294 4.340 -0.032 0.000 0.234 1157 R C 1.262 177.674 176.300 0.187 0.000 1.127 1157 R CA 0.672 56.875 56.100 0.172 0.000 0.989 1157 R CB -0.339 30.026 30.300 0.109 0.000 0.869 1157 R HN 0.298 nan 8.270 nan 0.000 0.459 1158 N N 0.227 119.055 118.700 0.214 0.000 2.336 1158 N HA 0.060 4.781 4.740 -0.032 0.000 0.189 1158 N C 0.213 175.903 175.510 0.301 0.000 1.113 1158 N CA 0.020 53.208 53.050 0.229 0.000 0.858 1158 N CB 0.204 38.788 38.487 0.161 0.000 0.970 1158 N HN 0.110 nan 8.380 nan 0.000 0.471 1159 L N 0.518 121.811 121.223 0.118 0.000 2.525 1159 L HA -0.018 4.303 4.340 -0.032 0.000 0.278 1159 L C 1.416 178.077 176.870 -0.347 0.000 1.218 1159 L CA -0.085 54.492 54.840 -0.438 0.000 0.878 1159 L CB 0.958 42.435 42.059 -0.970 0.000 1.127 1159 L HN -0.078 nan 8.230 nan 0.000 0.492 1160 V N 2.919 122.674 119.914 -0.265 0.000 3.125 1160 V HA 0.254 4.354 4.120 -0.032 0.000 0.249 1160 V C 0.582 176.616 176.094 -0.101 0.000 1.113 1160 V CA 1.030 63.290 62.300 -0.067 0.000 1.106 1160 V CB 0.586 32.466 31.823 0.095 0.000 0.768 1160 V HN 0.836 nan 8.190 nan 0.000 0.468 1161 A N -0.595 122.068 122.820 -0.261 0.000 2.547 1161 A HA 0.897 5.198 4.320 -0.032 0.000 0.297 1161 A C -0.923 176.529 177.584 -0.220 0.000 1.056 1161 A CA 0.195 52.158 52.037 -0.123 0.000 0.688 1161 A CB 1.652 20.637 19.000 -0.025 0.000 1.282 1161 A HN 0.606 nan 8.150 nan 0.000 0.400 1162 A N 0.448 123.208 122.820 -0.101 0.000 2.606 1162 A HA 1.033 5.334 4.320 -0.032 0.000 0.293 1162 A C -0.042 177.271 177.584 -0.452 0.000 1.082 1162 A CA 0.039 51.899 52.037 -0.296 0.000 0.685 1162 A CB 1.405 20.271 19.000 -0.223 0.000 1.284 1162 A HN 2.698 nan 8.150 nan 0.000 0.408 1163 G N -0.889 107.209 108.800 -1.169 0.000 2.348 1163 G HA2 0.680 4.621 3.960 -0.032 0.000 0.296 1163 G HA3 0.680 4.621 3.960 -0.032 0.000 0.296 1163 G C -1.647 172.724 174.900 -0.882 0.000 1.258 1163 G CA 0.316 44.886 45.100 -0.883 0.000 0.868 1163 G HN 2.151 nan 8.290 nan 0.000 0.488 1164 Y N -2.280 117.847 120.300 -0.289 0.000 2.581 1164 Y HA 0.837 5.367 4.550 -0.034 0.000 0.337 1164 Y C -0.258 175.644 175.900 0.004 0.000 1.108 1164 Y CA -1.460 56.585 58.100 -0.091 0.000 1.033 1164 Y CB 1.242 39.627 38.460 -0.125 0.000 1.318 1164 Y HN 1.250 nan 8.280 nan 0.000 0.459 1165 A N 2.796 125.701 122.820 0.143 0.000 2.276 1165 A HA 0.660 4.961 4.320 -0.032 0.000 0.316 1165 A C -1.550 175.835 177.584 -0.330 0.000 1.229 1165 A CA -0.639 51.328 52.037 -0.116 0.000 0.851 1165 A CB 0.816 19.696 19.000 -0.200 0.000 1.165 1165 A HN 0.846 nan 8.150 nan 0.000 0.513 1166 L N 3.366 124.444 121.223 -0.243 0.000 2.265 1166 L HA 0.558 4.879 4.340 -0.032 0.000 0.289 1166 L C -1.365 175.307 176.870 -0.329 0.000 1.033 1166 L CA -0.232 54.433 54.840 -0.291 0.000 0.814 1166 L CB 0.384 42.343 42.059 -0.167 0.000 1.203 1166 L HN 0.573 nan 8.230 nan 0.000 0.423 1167 Y N 5.418 125.737 120.300 0.032 0.000 2.812 1167 Y HA 0.567 5.096 4.550 -0.034 0.000 0.354 1167 Y C 1.015 176.915 175.900 0.002 0.000 1.276 1167 Y CA -0.303 57.812 58.100 0.026 0.000 1.639 1167 Y CB -0.044 38.439 38.460 0.038 0.000 1.741 1167 Y HN 0.708 nan 8.280 nan 0.000 0.479 1168 G N 0.376 109.218 108.800 0.070 0.000 3.075 1168 G HA2 0.143 4.084 3.960 -0.032 0.000 0.156 1168 G HA3 0.143 4.084 3.960 -0.032 0.000 0.156 1168 G C 1.151 176.071 174.900 0.033 0.000 1.403 1168 G CA 0.115 45.231 45.100 0.026 0.000 1.033 1168 G HN 0.372 nan 8.290 nan 0.000 0.589 1169 S N -0.705 115.001 115.700 0.010 0.000 2.406 1169 S HA 0.416 4.867 4.470 -0.032 0.000 0.228 1169 S C 1.043 175.653 174.600 0.017 0.000 1.020 1169 S CA 1.010 59.220 58.200 0.016 0.000 0.965 1169 S CB -0.211 62.995 63.200 0.011 0.000 0.798 1169 S HN 1.079 nan 8.310 nan 0.000 0.488 1170 A N 0.632 123.458 122.820 0.009 0.000 2.386 1170 A HA 0.722 5.023 4.320 -0.032 0.000 0.308 1170 A C -0.370 177.229 177.584 0.025 0.000 1.128 1170 A CA -0.676 51.368 52.037 0.012 0.000 0.789 1170 A CB 1.216 20.216 19.000 0.001 0.000 1.325 1170 A HN 0.197 nan 8.150 nan 0.000 0.437 1171 T N 1.431 116.013 114.554 0.048 0.000 2.799 1171 T HA 0.554 4.885 4.350 -0.032 0.000 0.286 1171 T C -0.484 174.271 174.700 0.092 0.000 0.973 1171 T CA 0.211 62.370 62.100 0.098 0.000 1.035 1171 T CB 0.517 69.493 68.868 0.181 0.000 0.932 1171 T HN 0.574 nan 8.240 nan 0.000 0.469 1172 M N 4.204 123.837 119.600 0.055 0.000 2.393 1172 M HA 0.544 5.004 4.480 -0.032 0.000 0.299 1172 M C -1.856 174.476 176.300 0.054 0.000 1.103 1172 M CA -0.950 54.380 55.300 0.051 0.000 0.910 1172 M CB 1.734 34.273 32.600 -0.102 0.000 1.659 1172 M HN 0.358 nan 8.290 nan 0.000 0.445 1173 L N 5.849 127.139 121.223 0.112 0.000 2.298 1173 L HA 0.629 4.950 4.340 -0.032 0.000 0.284 1173 L C -1.591 175.267 176.870 -0.019 0.000 1.013 1173 L CA -0.569 54.257 54.840 -0.022 0.000 0.824 1173 L CB 1.391 43.314 42.059 -0.226 0.000 1.221 1173 L HN 0.567 nan 8.230 nan 0.000 0.418 1174 V N 6.300 126.048 119.914 -0.277 0.000 2.370 1174 V HA 0.380 4.481 4.120 -0.032 0.000 0.279 1174 V C -0.207 175.734 176.094 -0.255 0.000 1.029 1174 V CA -0.646 61.432 62.300 -0.370 0.000 0.870 1174 V CB 1.946 33.278 31.823 -0.818 0.000 0.984 1174 V HN 0.557 nan 8.190 nan 0.000 0.451 1175 L N 5.408 126.608 121.223 -0.039 0.000 2.349 1175 L HA 0.890 5.211 4.340 -0.032 0.000 0.278 1175 L C 0.031 176.932 176.870 0.052 0.000 0.996 1175 L CA -0.297 54.579 54.840 0.060 0.000 0.825 1175 L CB 1.374 43.539 42.059 0.177 0.000 1.243 1175 L HN 0.706 nan 8.230 nan 0.000 0.412 1176 A N 6.534 129.390 122.820 0.061 0.000 2.318 1176 A HA 0.891 5.192 4.320 -0.032 0.000 0.324 1176 A C -0.586 177.160 177.584 0.270 0.000 1.170 1176 A CA -0.529 51.579 52.037 0.118 0.000 0.810 1176 A CB 0.825 19.867 19.000 0.071 0.000 1.198 1176 A HN 0.799 nan 8.150 nan 0.000 0.484 1177 M N 1.599 121.334 119.600 0.224 0.000 2.745 1177 M HA 0.286 4.747 4.480 -0.032 0.000 0.290 1177 M C 1.150 177.574 176.300 0.206 0.000 1.262 1177 M CA -0.716 54.742 55.300 0.264 0.000 0.795 1177 M CB 1.674 34.392 32.600 0.196 0.000 1.758 1177 M HN 0.409 nan 8.290 nan 0.000 0.461 1178 V N 1.212 121.251 119.914 0.207 0.000 2.370 1178 V HA -0.306 3.795 4.120 -0.032 0.000 0.252 1178 V C 1.297 177.435 176.094 0.073 0.000 1.068 1178 V CA 2.541 64.928 62.300 0.145 0.000 1.061 1178 V CB -0.558 31.342 31.823 0.129 0.000 0.656 1178 V HN 0.796 nan 8.190 nan 0.000 0.455 1179 N N -0.933 117.814 118.700 0.078 0.000 2.412 1179 N HA 0.325 5.046 4.740 -0.032 0.000 0.184 1179 N C 0.458 175.995 175.510 0.045 0.000 1.101 1179 N CA 0.458 53.541 53.050 0.054 0.000 0.881 1179 N CB 0.508 39.030 38.487 0.059 0.000 0.969 1179 N HN 0.632 nan 8.380 nan 0.000 0.459 1180 G N -0.249 108.576 108.800 0.041 0.000 2.369 1180 G HA2 0.075 4.016 3.960 -0.032 0.000 0.293 1180 G HA3 0.075 4.016 3.960 -0.032 0.000 0.293 1180 G C -1.764 173.153 174.900 0.030 0.000 1.301 1180 G CA -0.897 44.214 45.100 0.018 0.000 0.913 1180 G HN -0.090 nan 8.290 nan 0.000 0.540 1181 V N 1.416 121.326 119.914 -0.006 0.000 2.483 1181 V HA 0.685 4.786 4.120 -0.032 0.000 0.295 1181 V C -0.321 175.728 176.094 -0.076 0.000 1.035 1181 V CA -0.965 61.315 62.300 -0.034 0.000 0.896 1181 V CB 1.699 33.482 31.823 -0.066 0.000 0.986 1181 V HN 0.678 nan 8.190 nan 0.000 0.447 1182 N N 1.669 120.289 118.700 -0.133 0.000 2.235 1182 N HA 0.473 5.194 4.740 -0.032 0.000 0.293 1182 N C -1.502 173.707 175.510 -0.502 0.000 1.083 1182 N CA -0.358 52.468 53.050 -0.374 0.000 0.801 1182 N CB 2.236 40.363 38.487 -0.600 0.000 1.559 1182 N HN 0.560 nan 8.380 nan 0.000 0.472 1183 C N 1.917 120.848 119.300 -0.616 0.000 2.329 1183 C HA 0.609 5.050 4.460 -0.032 0.000 0.329 1183 C C -0.507 174.080 174.990 -0.672 0.000 1.275 1183 C CA -0.613 58.140 59.018 -0.442 0.000 1.726 1183 C CB -1.083 26.551 27.740 -0.177 0.000 2.291 1183 C HN 0.543 nan 8.230 nan 0.000 0.514 1184 F N 2.954 122.858 119.950 -0.077 0.000 2.477 1184 F HA 0.525 5.031 4.527 -0.035 0.000 0.335 1184 F C 0.241 176.103 175.800 0.105 0.000 1.130 1184 F CA -0.592 57.409 58.000 0.002 0.000 0.948 1184 F CB 1.086 40.095 39.000 0.015 0.000 1.154 1184 F HN 0.438 nan 8.300 nan 0.000 0.439 1185 M N 4.428 124.145 119.600 0.196 0.000 2.233 1185 M HA 0.451 4.912 4.480 -0.032 0.000 0.355 1185 M C -1.056 175.290 176.300 0.077 0.000 1.191 1185 M CA -1.192 54.186 55.300 0.131 0.000 1.101 1185 M CB 1.137 33.763 32.600 0.042 0.000 1.592 1185 M HN 0.618 nan 8.290 nan 0.000 0.461 1186 L N 5.489 126.690 121.223 -0.037 0.000 2.385 1186 L HA 0.196 4.517 4.340 -0.032 0.000 0.281 1186 L C -0.499 176.246 176.870 -0.208 0.000 1.106 1186 L CA 0.377 54.995 54.840 -0.369 0.000 0.856 1186 L CB 0.162 41.919 42.059 -0.503 0.000 1.186 1186 L HN 0.572 nan 8.230 nan 0.000 0.453 1187 D N 7.523 127.807 120.400 -0.193 0.000 2.344 1187 D HA 0.140 4.761 4.640 -0.032 0.000 0.253 1187 D C -1.821 174.397 176.300 -0.138 0.000 1.255 1187 D CA -1.821 52.107 54.000 -0.120 0.000 0.894 1187 D CB 1.508 42.259 40.800 -0.081 0.000 1.067 1187 D HN 0.413 nan 8.370 nan 0.000 0.492 1188 P HA -0.032 nan 4.420 nan 0.000 0.223 1188 P C 0.905 178.160 177.300 -0.075 0.000 1.151 1188 P CA 0.706 63.749 63.100 -0.095 0.000 0.787 1188 P CB 0.279 31.941 31.700 -0.064 0.000 0.788 1189 A N 0.362 123.145 122.820 -0.061 0.000 1.898 1189 A HA -0.099 4.202 4.320 -0.032 0.000 0.216 1189 A C 1.937 179.492 177.584 -0.049 0.000 1.181 1189 A CA 1.625 53.635 52.037 -0.047 0.000 0.620 1189 A CB -1.293 17.686 19.000 -0.035 0.000 0.819 1189 A HN 0.358 nan 8.150 nan 0.000 0.442 1190 I N -4.816 115.720 120.570 -0.058 0.000 4.025 1190 I HA 0.504 4.655 4.170 -0.032 0.000 0.336 1190 I C 0.992 177.068 176.117 -0.069 0.000 1.390 1190 I CA 0.306 61.576 61.300 -0.051 0.000 1.099 1190 I CB -0.057 37.920 38.000 -0.037 0.000 1.049 1190 I HN 0.298 nan 8.210 nan 0.000 0.394 1191 G N 2.094 110.831 108.800 -0.105 0.000 2.371 1191 G HA2 -0.220 3.721 3.960 -0.032 0.000 0.299 1191 G HA3 -0.220 3.721 3.960 -0.032 0.000 0.299 1191 G C -0.336 174.470 174.900 -0.156 0.000 1.014 1191 G CA 0.287 45.300 45.100 -0.145 0.000 1.097 1191 G HN 0.581 nan 8.290 nan 0.000 0.512 1192 E N -0.866 119.220 120.200 -0.190 0.000 2.248 1192 E HA 0.485 4.816 4.350 -0.032 0.000 0.267 1192 E C -0.344 176.122 176.600 -0.223 0.000 0.877 1192 E CA -0.928 55.397 56.400 -0.125 0.000 0.759 1192 E CB 1.131 30.812 29.700 -0.031 0.000 1.182 1192 E HN 0.136 nan 8.360 nan 0.000 0.418 1193 F N 2.751 122.697 119.950 -0.006 0.000 2.444 1193 F HA 0.218 4.738 4.527 -0.011 0.000 0.360 1193 F C 0.602 176.457 175.800 0.092 0.000 1.106 1193 F CA -0.239 57.776 58.000 0.025 0.000 1.170 1193 F CB 0.465 39.439 39.000 -0.045 0.000 1.113 1193 F HN 0.144 nan 8.300 nan 0.000 0.521 1194 I N 4.463 125.193 120.570 0.266 0.000 2.562 1194 I HA 0.231 4.382 4.170 -0.032 0.000 0.301 1194 I C -0.337 175.948 176.117 0.280 0.000 1.003 1194 I CA -1.159 60.287 61.300 0.244 0.000 1.127 1194 I CB 1.659 39.724 38.000 0.107 0.000 1.304 1194 I HN 0.314 nan 8.210 nan 0.000 0.446 1195 L N 6.519 127.880 121.223 0.230 0.000 2.433 1195 L HA 0.147 4.468 4.340 -0.032 0.000 0.275 1195 L C 0.741 177.528 176.870 -0.137 0.000 1.128 1195 L CA 0.509 55.278 54.840 -0.117 0.000 0.875 1195 L CB 0.594 42.611 42.059 -0.070 0.000 1.171 1195 L HN 0.529 nan 8.230 nan 0.000 0.463 1196 V N -0.246 119.537 119.914 -0.218 0.000 3.572 1196 V HA 0.463 4.564 4.120 -0.032 0.000 0.260 1196 V C -0.090 175.920 176.094 -0.140 0.000 1.324 1196 V CA 0.074 62.303 62.300 -0.119 0.000 1.068 1196 V CB 0.287 32.072 31.823 -0.064 0.000 0.837 1196 V HN 0.689 nan 8.190 nan 0.000 0.450 1197 D N 1.608 121.868 120.400 -0.235 0.000 2.686 1197 D HA 0.414 5.035 4.640 -0.032 0.000 0.249 1197 D C -1.003 175.143 176.300 -0.257 0.000 1.260 1197 D CA -0.145 53.742 54.000 -0.188 0.000 0.910 1197 D CB 2.660 43.377 40.800 -0.137 0.000 1.323 1197 D HN 0.223 nan 8.370 nan 0.000 0.561 1198 R N 1.706 122.111 120.500 -0.158 0.000 2.346 1198 R HA 0.183 4.504 4.340 -0.032 0.000 0.311 1198 R C -0.644 175.622 176.300 -0.057 0.000 0.983 1198 R CA -0.255 55.776 56.100 -0.116 0.000 0.880 1198 R CB 0.671 30.956 30.300 -0.025 0.000 1.100 1198 R HN 0.277 nan 8.270 nan 0.000 0.453 1199 D N 2.332 122.713 120.400 -0.032 0.000 2.812 1199 D HA -0.147 4.474 4.640 -0.032 0.000 0.237 1199 D C -0.996 175.286 176.300 -0.031 0.000 1.162 1199 D CA 0.526 54.523 54.000 -0.005 0.000 0.740 1199 D CB -0.395 40.419 40.800 0.022 0.000 1.000 1199 D HN 0.176 nan 8.370 nan 0.000 0.416 1200 V N 2.657 122.538 119.914 -0.055 0.000 2.521 1200 V HA 0.132 4.233 4.120 -0.032 0.000 0.286 1200 V C 0.833 176.901 176.094 -0.043 0.000 1.034 1200 V CA 0.284 62.550 62.300 -0.057 0.000 1.045 1200 V CB 1.300 33.075 31.823 -0.079 0.000 0.974 1200 V HN 0.105 nan 8.190 nan 0.000 0.480 1201 K N 5.062 125.442 120.400 -0.032 0.000 2.345 1201 K HA 0.537 4.838 4.320 -0.032 0.000 0.255 1201 K C -0.453 176.135 176.600 -0.020 0.000 0.934 1201 K CA -0.705 55.568 56.287 -0.024 0.000 0.801 1201 K CB 2.707 35.198 32.500 -0.015 0.000 1.137 1201 K HN 0.631 nan 8.250 nan 0.000 0.424 1202 I N 1.720 122.280 120.570 -0.017 0.000 2.662 1202 I HA 0.071 4.221 4.170 -0.032 0.000 0.291 1202 I C 0.188 176.310 176.117 0.007 0.000 1.046 1202 I CA -0.323 60.974 61.300 -0.005 0.000 1.361 1202 I CB 0.709 38.708 38.000 -0.001 0.000 1.429 1202 I HN 0.389 nan 8.210 nan 0.000 0.558 1203 K N 5.564 125.974 120.400 0.016 0.000 2.469 1203 K HA 0.017 4.318 4.320 -0.032 0.000 0.274 1203 K C 0.798 177.414 176.600 0.026 0.000 0.983 1203 K CA -0.430 55.867 56.287 0.018 0.000 0.974 1203 K CB 0.467 32.977 32.500 0.017 0.000 0.913 1203 K HN 0.454 nan 8.250 nan 0.000 0.493 1204 K N 1.752 122.167 120.400 0.025 0.000 2.147 1204 K HA -0.087 4.214 4.320 -0.032 0.000 0.205 1204 K C 0.422 177.054 176.600 0.053 0.000 1.049 1204 K CA 1.363 57.670 56.287 0.034 0.000 0.936 1204 K CB 0.032 32.550 32.500 0.029 0.000 0.722 1204 K HN 0.428 nan 8.250 nan 0.000 0.446 1205 K N -0.342 120.088 120.400 0.049 0.000 2.501 1205 K HA 0.379 4.680 4.320 -0.032 0.000 0.252 1205 K C -0.385 176.237 176.600 0.036 0.000 0.934 1205 K CA -0.414 55.916 56.287 0.073 0.000 0.797 1205 K CB 2.040 34.591 32.500 0.085 0.000 1.270 1205 K HN 0.074 nan 8.250 nan 0.000 0.431 1206 G N -0.048 108.775 108.800 0.038 0.000 2.857 1206 G HA2 0.386 4.327 3.960 -0.032 0.000 0.217 1206 G HA3 0.386 4.327 3.960 -0.032 0.000 0.217 1206 G C -0.245 174.452 174.900 -0.339 0.000 1.357 1206 G CA -0.374 44.689 45.100 -0.063 0.000 1.033 1206 G HN 0.596 nan 8.290 nan 0.000 0.571 1207 S N -1.418 113.970 115.700 -0.521 0.000 3.088 1207 S HA 0.352 4.803 4.470 -0.032 0.000 0.249 1207 S C -0.562 173.665 174.600 -0.621 0.000 0.877 1207 S CA -0.241 57.351 58.200 -1.013 0.000 1.184 1207 S CB -0.168 62.737 63.200 -0.492 0.000 1.170 1207 S HN 0.305 nan 8.310 nan 0.000 0.603 1208 I N 2.343 122.764 120.570 -0.249 0.000 2.582 1208 I HA 0.637 4.788 4.170 -0.032 0.000 0.292 1208 I C -0.823 175.536 176.117 0.402 0.000 1.066 1208 I CA -1.096 60.272 61.300 0.113 0.000 1.053 1208 I CB 1.624 39.681 38.000 0.096 0.000 1.241 1208 I HN 0.388 nan 8.210 nan 0.000 0.421 1209 Y N 2.615 123.112 120.300 0.329 0.000 2.499 1209 Y HA 0.883 5.414 4.550 -0.031 0.000 0.347 1209 Y C -0.551 175.500 175.900 0.252 0.000 0.987 1209 Y CA -1.307 56.987 58.100 0.322 0.000 1.044 1209 Y CB 2.089 40.734 38.460 0.309 0.000 1.245 1209 Y HN 0.503 nan 8.280 nan 0.000 0.461 1210 S N 4.909 120.759 115.700 0.251 0.000 2.750 1210 S HA 0.760 5.211 4.470 -0.032 0.000 0.276 1210 S C -2.085 172.651 174.600 0.227 0.000 1.165 1210 S CA -0.352 57.994 58.200 0.244 0.000 1.047 1210 S CB 0.437 63.893 63.200 0.427 0.000 1.056 1210 S HN 0.842 nan 8.310 nan 0.000 0.481 1211 I N 3.786 124.370 120.570 0.023 0.000 2.947 1211 I HA 0.488 4.639 4.170 -0.032 0.000 0.301 1211 I C -1.483 174.063 176.117 -0.952 0.000 1.453 1211 I CA -0.799 60.277 61.300 -0.374 0.000 0.984 1211 I CB 2.093 40.002 38.000 -0.153 0.000 1.333 1211 I HN 0.706 nan 8.210 nan 0.000 0.475 1212 N N 4.537 122.537 118.700 -1.166 0.000 2.508 1212 N HA 0.147 4.868 4.740 -0.032 0.000 0.253 1212 N C 0.335 175.738 175.510 -0.178 0.000 1.145 1212 N CA 0.315 52.905 53.050 -0.766 0.000 0.973 1212 N CB 0.208 38.442 38.487 -0.421 0.000 1.305 1212 N HN 0.544 nan 8.380 nan 0.000 0.506 1213 E N 1.409 121.545 120.200 -0.105 0.000 2.515 1213 E HA -0.058 4.273 4.350 -0.032 0.000 0.201 1213 E C 1.300 177.785 176.600 -0.192 0.000 1.071 1213 E CA 0.148 56.563 56.400 0.025 0.000 0.880 1213 E CB 0.108 29.861 29.700 0.089 0.000 0.828 1213 E HN 0.681 nan 8.360 nan 0.000 0.540 1214 G N 0.157 108.768 108.800 -0.315 0.000 2.625 1214 G HA2 -0.207 3.734 3.960 -0.032 0.000 0.214 1214 G HA3 -0.207 3.734 3.960 -0.032 0.000 0.214 1214 G C 0.733 175.293 174.900 -0.567 0.000 1.132 1214 G CA 0.333 45.175 45.100 -0.430 0.000 0.782 1214 G HN 0.261 nan 8.290 nan 0.000 0.538 1215 Y N -0.072 119.937 120.300 -0.486 0.000 2.507 1215 Y HA 0.482 5.013 4.550 -0.032 0.000 0.254 1215 Y C 2.400 177.479 175.900 -1.368 0.000 1.171 1215 Y CA -0.737 56.944 58.100 -0.698 0.000 1.238 1215 Y CB 0.033 38.196 38.460 -0.494 0.000 1.148 1215 Y HN 0.178 nan 8.280 nan 0.000 0.525 1216 A N 0.771 122.898 122.820 -1.155 0.000 1.971 1216 A HA -0.331 3.970 4.320 -0.032 0.000 0.222 1216 A C 2.250 179.581 177.584 -0.422 0.000 1.182 1216 A CA 2.200 53.734 52.037 -0.838 0.000 0.649 1216 A CB -0.450 18.394 19.000 -0.260 0.000 0.818 1216 A HN 0.434 nan 8.150 nan 0.000 0.458 1217 K N -0.988 119.230 120.400 -0.303 0.000 2.439 1217 K HA -0.083 4.218 4.320 -0.032 0.000 0.197 1217 K C 0.840 177.386 176.600 -0.090 0.000 1.041 1217 K CA 1.166 57.369 56.287 -0.140 0.000 0.970 1217 K CB 0.072 32.510 32.500 -0.102 0.000 0.773 1217 K HN 0.513 nan 8.250 nan 0.000 0.479 1218 E N -0.481 119.644 120.200 -0.125 0.000 2.514 1218 E HA 0.048 4.379 4.350 -0.032 0.000 0.215 1218 E C -0.101 176.573 176.600 0.123 0.000 0.946 1218 E CA -0.170 56.230 56.400 -0.001 0.000 1.038 1218 E CB 0.234 29.943 29.700 0.015 0.000 1.069 1218 E HN 0.030 nan 8.360 nan 0.000 0.503 1219 F N 3.518 123.468 119.950 0.001 0.000 2.626 1219 F HA -0.044 4.464 4.527 -0.032 0.000 0.354 1219 F C 1.208 176.978 175.800 -0.050 0.000 1.168 1219 F CA -0.834 57.150 58.000 -0.026 0.000 1.368 1219 F CB -0.042 38.939 39.000 -0.031 0.000 1.092 1219 F HN -0.034 nan 8.300 nan 0.000 0.612 1220 D N 2.542 123.003 120.400 0.101 0.000 2.354 1220 D HA 0.245 4.866 4.640 -0.032 0.000 0.247 1220 D C -2.202 174.005 176.300 -0.154 0.000 1.138 1220 D CA -1.670 52.309 54.000 -0.035 0.000 0.958 1220 D CB 0.273 41.040 40.800 -0.055 0.000 1.144 1220 D HN 0.095 nan 8.370 nan 0.000 0.458 1221 P HA -0.165 nan 4.420 nan 0.000 0.219 1221 P C 1.059 178.007 177.300 -0.586 0.000 1.146 1221 P CA 1.862 64.749 63.100 -0.355 0.000 0.808 1221 P CB -0.080 31.373 31.700 -0.412 0.000 0.779 1222 A N -0.560 121.806 122.820 -0.756 0.000 1.873 1222 A HA -0.140 4.161 4.320 -0.032 0.000 0.215 1222 A C 2.206 179.484 177.584 -0.509 0.000 1.186 1222 A CA 1.347 52.882 52.037 -0.836 0.000 0.616 1222 A CB -1.521 16.590 19.000 -1.483 0.000 0.823 1222 A HN 0.105 nan 8.150 nan 0.000 0.442 1223 I N -0.306 119.987 120.570 -0.461 0.000 2.179 1223 I HA -0.230 3.920 4.170 -0.032 0.000 0.242 1223 I C 2.620 178.621 176.117 -0.195 0.000 1.088 1223 I CA 1.806 62.907 61.300 -0.333 0.000 1.357 1223 I CB -0.548 37.144 38.000 -0.514 0.000 1.051 1223 I HN 0.241 nan 8.210 nan 0.000 0.409 1224 T N -0.269 114.206 114.554 -0.132 0.000 2.684 1224 T HA -0.280 4.051 4.350 -0.032 0.000 0.267 1224 T C 1.859 176.531 174.700 -0.047 0.000 1.036 1224 T CA 1.832 63.922 62.100 -0.017 0.000 1.148 1224 T CB -0.277 68.594 68.868 0.004 0.000 0.863 1224 T HN 0.444 nan 8.240 nan 0.000 0.436 1225 E N -0.524 119.624 120.200 -0.086 0.000 2.106 1225 E HA -0.155 4.176 4.350 -0.032 0.000 0.192 1225 E C 1.981 178.552 176.600 -0.049 0.000 0.984 1225 E CA 0.818 57.188 56.400 -0.050 0.000 0.806 1225 E CB -0.175 29.519 29.700 -0.010 0.000 0.750 1225 E HN 0.653 nan 8.360 nan 0.000 0.458 1226 Y N 0.488 120.683 120.300 -0.175 0.000 2.200 1226 Y HA -0.182 4.349 4.550 -0.032 0.000 0.290 1226 Y C 1.802 177.554 175.900 -0.247 0.000 1.137 1226 Y CA 1.322 59.307 58.100 -0.191 0.000 1.163 1226 Y CB -0.059 38.285 38.460 -0.193 0.000 0.988 1226 Y HN 0.055 nan 8.280 nan 0.000 0.518 1227 I N 0.588 121.041 120.570 -0.195 0.000 2.226 1227 I HA -0.278 3.873 4.170 -0.032 0.000 0.245 1227 I C 2.467 178.394 176.117 -0.316 0.000 1.100 1227 I CA 1.540 62.633 61.300 -0.344 0.000 1.374 1227 I CB -1.223 36.703 38.000 -0.124 0.000 1.057 1227 I HN 0.245 nan 8.210 nan 0.000 0.413 1228 Q N 0.727 120.442 119.800 -0.143 0.000 2.096 1228 Q HA -0.211 4.110 4.340 -0.032 0.000 0.204 1228 Q C 2.446 178.410 176.000 -0.060 0.000 0.982 1228 Q CA 1.721 57.510 55.803 -0.024 0.000 0.850 1228 Q CB -0.302 28.423 28.738 -0.023 0.000 0.901 1228 Q HN 0.355 nan 8.270 nan 0.000 0.422 1229 R N -0.609 119.762 120.500 -0.214 0.000 2.148 1229 R HA -0.085 4.236 4.340 -0.032 0.000 0.227 1229 R C 1.495 177.557 176.300 -0.397 0.000 1.103 1229 R CA 0.955 56.905 56.100 -0.250 0.000 0.983 1229 R CB 0.145 30.275 30.300 -0.283 0.000 0.874 1229 R HN 0.054 nan 8.270 nan 0.000 0.451 1230 K N 0.619 120.645 120.400 -0.623 0.000 2.103 1230 K HA -0.099 4.202 4.320 -0.032 0.000 0.204 1230 K C 1.815 178.192 176.600 -0.371 0.000 1.052 1230 K CA 1.314 57.175 56.287 -0.709 0.000 0.945 1230 K CB 0.010 31.890 32.500 -1.033 0.000 0.722 1230 K HN 0.212 nan 8.250 nan 0.000 0.443 1231 K N -0.610 119.609 120.400 -0.303 0.000 2.116 1231 K HA 0.037 4.338 4.320 -0.032 0.000 0.203 1231 K C 0.177 176.470 176.600 -0.511 0.000 1.052 1231 K CA 0.692 56.789 56.287 -0.317 0.000 0.952 1231 K CB 0.157 32.528 32.500 -0.216 0.000 0.729 1231 K HN -0.039 nan 8.250 nan 0.000 0.446 1232 F N 1.485 121.360 119.950 -0.125 0.000 2.449 1232 F HA 0.291 4.799 4.527 -0.031 0.000 0.344 1232 F C -2.479 173.260 175.800 -0.101 0.000 1.180 1232 F CA -2.907 55.041 58.000 -0.087 0.000 1.209 1232 F CB 0.875 39.832 39.000 -0.072 0.000 1.440 1232 F HN -0.263 nan 8.300 nan 0.000 0.526 1233 P HA 0.001 nan 4.420 nan 0.000 0.261 1233 P C -1.712 175.597 177.300 0.015 0.000 1.183 1233 P CA -0.840 62.247 63.100 -0.021 0.000 0.761 1233 P CB 0.466 32.155 31.700 -0.018 0.000 0.785 1234 P HA -0.172 nan 4.420 nan 0.000 0.216 1234 P C 0.604 177.908 177.300 0.007 0.000 1.150 1234 P CA 1.602 64.704 63.100 0.003 0.000 0.837 1234 P CB -0.080 31.612 31.700 -0.013 0.000 0.786 1235 D N -0.805 119.598 120.400 0.005 0.000 2.413 1235 D HA -0.034 4.587 4.640 -0.032 0.000 0.237 1235 D C -0.225 176.083 176.300 0.014 0.000 1.171 1235 D CA -0.633 53.373 54.000 0.009 0.000 0.839 1235 D CB -1.903 38.903 40.800 0.010 0.000 0.950 1235 D HN 0.176 nan 8.370 nan 0.000 0.499 1236 N N -0.329 118.382 118.700 0.017 0.000 2.721 1236 N HA -0.231 4.490 4.740 -0.032 0.000 0.249 1236 N C -0.420 175.100 175.510 0.017 0.000 1.072 1236 N CA 0.698 53.759 53.050 0.018 0.000 0.710 1236 N CB -1.333 37.164 38.487 0.017 0.000 0.993 1236 N HN 0.524 nan 8.380 nan 0.000 0.547 1237 S N -0.892 114.820 115.700 0.020 0.000 2.707 1237 S HA 0.733 5.184 4.470 -0.032 0.000 0.276 1237 S C 0.636 175.253 174.600 0.029 0.000 1.179 1237 S CA -0.524 57.694 58.200 0.029 0.000 0.992 1237 S CB 1.739 64.967 63.200 0.047 0.000 1.030 1237 S HN 0.419 nan 8.310 nan 0.000 0.554 1238 A N 1.950 124.790 122.820 0.034 0.000 2.524 1238 A HA 0.479 4.780 4.320 -0.032 0.000 0.250 1238 A C -2.178 175.448 177.584 0.071 0.000 1.078 1238 A CA -0.979 51.077 52.037 0.032 0.000 0.761 1238 A CB -1.230 17.783 19.000 0.021 0.000 1.012 1238 A HN 0.693 nan 8.150 nan 0.000 0.500 1239 P HA 0.073 nan 4.420 nan 0.000 0.269 1239 P C -0.519 176.906 177.300 0.208 0.000 1.217 1239 P CA 0.215 63.349 63.100 0.057 0.000 0.783 1239 P CB 0.167 31.832 31.700 -0.057 0.000 0.898 1240 Y N 0.202 120.511 120.300 0.014 0.000 2.326 1240 Y HA 0.384 4.915 4.550 -0.032 0.000 0.333 1240 Y C 1.592 177.587 175.900 0.158 0.000 1.240 1240 Y CA -0.337 57.828 58.100 0.109 0.000 1.365 1240 Y CB -0.198 38.384 38.460 0.203 0.000 1.289 1240 Y HN 0.358 nan 8.280 nan 0.000 0.548 1241 G N 0.673 109.597 108.800 0.206 0.000 2.476 1241 G HA2 0.508 4.449 3.960 -0.032 0.000 0.269 1241 G HA3 0.508 4.449 3.960 -0.032 0.000 0.269 1241 G C -0.893 174.039 174.900 0.052 0.000 1.195 1241 G CA -0.334 44.835 45.100 0.114 0.000 0.843 1241 G HN 0.806 nan 8.290 nan 0.000 0.545 1242 A N 1.849 124.616 122.820 -0.088 0.000 2.306 1242 A HA 0.880 5.181 4.320 -0.032 0.000 0.314 1242 A C 0.120 177.607 177.584 -0.162 0.000 1.164 1242 A CA -0.659 51.145 52.037 -0.390 0.000 0.822 1242 A CB 0.964 19.744 19.000 -0.367 0.000 1.130 1242 A HN 0.557 nan 8.150 nan 0.000 0.496 1243 R N 0.664 121.082 120.500 -0.137 0.000 2.515 1243 R HA 0.294 4.615 4.340 -0.032 0.000 0.278 1243 R C -2.406 173.985 176.300 0.152 0.000 1.107 1243 R CA -0.357 55.757 56.100 0.023 0.000 0.945 1243 R CB 1.449 31.782 30.300 0.055 0.000 1.219 1243 R HN 0.785 nan 8.270 nan 0.000 0.434 1244 Y N 2.596 122.899 120.300 0.005 0.000 2.422 1244 Y HA 0.147 4.679 4.550 -0.030 0.000 0.344 1244 Y C 0.714 176.649 175.900 0.060 0.000 1.097 1244 Y CA -0.392 57.745 58.100 0.063 0.000 1.307 1244 Y CB 0.945 39.442 38.460 0.061 0.000 1.102 1244 Y HN 0.364 nan 8.280 nan 0.000 0.520 1245 V N 3.214 123.049 119.914 -0.133 0.000 2.332 1245 V HA -0.136 3.965 4.120 -0.032 0.000 0.248 1245 V C 1.843 177.811 176.094 -0.210 0.000 1.055 1245 V CA 2.680 64.897 62.300 -0.137 0.000 1.038 1245 V CB -0.860 30.882 31.823 -0.134 0.000 0.651 1245 V HN 1.173 nan 8.190 nan 0.000 0.450 1246 G N -0.980 107.522 108.800 -0.496 0.000 2.195 1246 G HA2 -0.211 3.730 3.960 -0.032 0.000 0.224 1246 G HA3 -0.211 3.730 3.960 -0.032 0.000 0.224 1246 G C 0.304 175.110 174.900 -0.158 0.000 0.990 1246 G CA 0.179 45.090 45.100 -0.317 0.000 0.639 1246 G HN 0.525 nan 8.290 nan 0.000 0.514 1247 S N 0.290 115.881 115.700 -0.182 0.000 2.478 1247 S HA 0.578 5.028 4.470 -0.032 0.000 0.312 1247 S C 1.082 175.566 174.600 -0.193 0.000 1.094 1247 S CA 0.135 58.264 58.200 -0.117 0.000 1.081 1247 S CB 1.540 64.688 63.200 -0.088 0.000 1.007 1247 S HN 0.408 nan 8.310 nan 0.000 0.475 1248 M N 4.094 123.602 119.600 -0.153 0.000 2.108 1248 M HA -0.083 4.378 4.480 -0.032 0.000 0.261 1248 M C 1.832 177.869 176.300 -0.440 0.000 1.066 1248 M CA 1.975 57.089 55.300 -0.311 0.000 1.107 1248 M CB -0.222 32.296 32.600 -0.136 0.000 1.356 1248 M HN 0.564 nan 8.290 nan 0.000 0.406 1249 V N 0.610 120.321 119.914 -0.338 0.000 2.407 1249 V HA -0.185 3.916 4.120 -0.032 0.000 0.248 1249 V C 2.294 178.121 176.094 -0.446 0.000 1.055 1249 V CA 2.078 64.086 62.300 -0.487 0.000 1.049 1249 V CB -0.771 30.835 31.823 -0.361 0.000 0.662 1249 V HN 0.605 nan 8.190 nan 0.000 0.455 1250 A N -0.590 122.052 122.820 -0.296 0.000 1.872 1250 A HA -0.173 4.127 4.320 -0.032 0.000 0.214 1250 A C 2.025 179.467 177.584 -0.236 0.000 1.187 1250 A CA 1.686 53.593 52.037 -0.218 0.000 0.614 1250 A CB -0.718 18.189 19.000 -0.155 0.000 0.826 1250 A HN 0.610 nan 8.150 nan 0.000 0.442 1251 D N -0.154 120.050 120.400 -0.325 0.000 2.144 1251 D HA -0.102 4.519 4.640 -0.032 0.000 0.199 1251 D C 2.080 178.159 176.300 -0.368 0.000 0.984 1251 D CA 1.505 55.313 54.000 -0.320 0.000 0.834 1251 D CB -0.180 40.386 40.800 -0.390 0.000 0.955 1251 D HN 0.236 nan 8.370 nan 0.000 0.465 1252 V N 0.468 120.061 119.914 -0.536 0.000 2.379 1252 V HA -0.218 3.883 4.120 -0.032 0.000 0.245 1252 V C 2.313 178.261 176.094 -0.244 0.000 1.044 1252 V CA 1.553 63.603 62.300 -0.417 0.000 1.036 1252 V CB -0.582 30.949 31.823 -0.488 0.000 0.664 1252 V HN 0.208 nan 8.190 nan 0.000 0.453 1253 H N 0.474 119.340 119.070 -0.341 0.000 2.353 1253 H HA -0.161 4.378 4.556 -0.029 0.000 0.300 1253 H C 2.489 177.714 175.328 -0.172 0.000 1.090 1253 H CA 2.131 58.089 56.048 -0.151 0.000 1.327 1253 H CB -0.046 29.655 29.762 -0.102 0.000 1.383 1253 H HN 0.187 nan 8.280 nan 0.000 0.508 1254 R N -0.443 119.956 120.500 -0.169 0.000 2.096 1254 R HA -0.119 4.202 4.340 -0.032 0.000 0.235 1254 R C 1.728 177.895 176.300 -0.221 0.000 1.127 1254 R CA 1.832 57.743 56.100 -0.316 0.000 0.968 1254 R CB -0.213 29.938 30.300 -0.249 0.000 0.861 1254 R HN 0.400 nan 8.270 nan 0.000 0.440 1255 T N 1.905 116.390 114.554 -0.115 0.000 2.746 1255 T HA -0.159 4.172 4.350 -0.032 0.000 0.267 1255 T C 1.686 176.361 174.700 -0.042 0.000 1.039 1255 T CA 1.110 63.200 62.100 -0.016 0.000 1.142 1255 T CB -0.257 68.634 68.868 0.039 0.000 0.866 1255 T HN 0.144 nan 8.240 nan 0.000 0.444 1256 L N 2.336 123.484 121.223 -0.125 0.000 1.989 1256 L HA -0.089 4.232 4.340 -0.032 0.000 0.211 1256 L C 2.545 179.331 176.870 -0.141 0.000 1.071 1256 L CA 1.870 56.627 54.840 -0.138 0.000 0.749 1256 L CB -0.839 41.100 42.059 -0.201 0.000 0.890 1256 L HN 0.312 nan 8.230 nan 0.000 0.431 1257 V N -4.443 115.329 119.914 -0.237 0.000 2.878 1257 V HA -0.102 3.999 4.120 -0.032 0.000 0.250 1257 V C 2.045 178.230 176.094 0.152 0.000 1.075 1257 V CA 1.050 63.281 62.300 -0.114 0.000 1.096 1257 V CB -1.005 30.687 31.823 -0.219 0.000 0.724 1257 V HN 0.515 nan 8.190 nan 0.000 0.467 1258 Y N 1.556 121.815 120.300 -0.069 0.000 2.524 1258 Y HA 0.537 5.068 4.550 -0.031 0.000 0.270 1258 Y C 1.643 177.522 175.900 -0.035 0.000 1.094 1258 Y CA 0.017 58.091 58.100 -0.042 0.000 1.276 1258 Y CB 0.755 39.197 38.460 -0.030 0.000 1.130 1258 Y HN 0.545 nan 8.280 nan 0.000 0.536 1259 G N 0.258 109.137 108.800 0.131 0.000 2.712 1259 G HA2 0.216 4.157 3.960 -0.032 0.000 0.683 1259 G HA3 0.216 4.157 3.960 -0.032 0.000 0.683 1259 G C -0.035 174.927 174.900 0.103 0.000 1.320 1259 G CA -0.650 44.500 45.100 0.085 0.000 0.847 1259 G HN 0.968 nan 8.290 nan 0.000 0.553 1260 G N -1.258 107.608 108.800 0.111 0.000 2.418 1260 G HA2 0.461 4.402 3.960 -0.032 0.000 0.206 1260 G HA3 0.461 4.402 3.960 -0.032 0.000 0.206 1260 G C -0.613 174.419 174.900 0.220 0.000 1.202 1260 G CA 0.466 45.671 45.100 0.175 0.000 1.061 1260 G HN 2.416 nan 8.290 nan 0.000 0.563 1261 I N -0.660 120.082 120.570 0.286 0.000 2.827 1261 I HA 0.825 4.976 4.170 -0.032 0.000 0.298 1261 I C -1.496 174.816 176.117 0.325 0.000 1.235 1261 I CA -1.138 60.326 61.300 0.272 0.000 1.021 1261 I CB 1.938 40.090 38.000 0.253 0.000 1.259 1261 I HN 1.017 nan 8.210 nan 0.000 0.427 1262 F N 7.875 127.906 119.950 0.135 0.000 2.507 1262 F HA 0.829 5.338 4.527 -0.030 0.000 0.325 1262 F C -1.526 174.350 175.800 0.128 0.000 1.116 1262 F CA -0.640 57.447 58.000 0.145 0.000 0.930 1262 F CB 1.670 40.735 39.000 0.107 0.000 1.146 1262 F HN 0.335 nan 8.300 nan 0.000 0.447 1263 M N 6.771 125.862 119.600 -0.848 0.000 2.271 1263 M HA 0.278 4.738 4.480 -0.032 0.000 0.285 1263 M C -1.973 173.967 176.300 -0.599 0.000 1.059 1263 M CA -0.564 54.398 55.300 -0.563 0.000 0.940 1263 M CB 2.358 34.780 32.600 -0.297 0.000 1.636 1263 M HN 0.625 nan 8.290 nan 0.000 0.460 1264 Y N 4.585 124.632 120.300 -0.421 0.000 2.535 1264 Y HA 0.410 4.940 4.550 -0.032 0.000 0.351 1264 Y C -2.521 173.304 175.900 -0.126 0.000 1.050 1264 Y CA -2.164 55.820 58.100 -0.193 0.000 1.168 1264 Y CB 0.752 39.180 38.460 -0.054 0.000 1.116 1264 Y HN 0.334 nan 8.280 nan 0.000 0.654 1265 P HA 0.243 nan 4.420 nan 0.000 0.275 1265 P C -0.168 177.175 177.300 0.072 0.000 1.266 1265 P CA -0.194 62.906 63.100 -0.001 0.000 0.793 1265 P CB 1.124 32.764 31.700 -0.099 0.000 1.074 1266 A N 1.518 124.364 122.820 0.044 0.000 2.386 1266 A HA 0.391 4.692 4.320 -0.032 0.000 0.246 1266 A C 0.476 178.107 177.584 0.078 0.000 1.089 1266 A CA 0.225 52.294 52.037 0.054 0.000 0.790 1266 A CB -0.729 18.290 19.000 0.032 0.000 1.042 1266 A HN 0.852 nan 8.150 nan 0.000 0.497 1267 N N -1.424 117.318 118.700 0.071 0.000 2.825 1267 N HA 0.232 4.953 4.740 -0.032 0.000 0.253 1267 N C -0.238 175.310 175.510 0.062 0.000 1.426 1267 N CA -0.697 52.412 53.050 0.098 0.000 0.851 1267 N CB 0.702 39.261 38.487 0.120 0.000 1.470 1267 N HN 0.388 nan 8.380 nan 0.000 0.517 1268 K N -0.268 120.170 120.400 0.063 0.000 2.218 1268 K HA -0.154 4.146 4.320 -0.032 0.000 0.205 1268 K C 0.727 177.345 176.600 0.030 0.000 1.046 1268 K CA 1.783 58.094 56.287 0.041 0.000 0.933 1268 K CB -0.178 32.343 32.500 0.035 0.000 0.728 1268 K HN 0.634 nan 8.250 nan 0.000 0.454 1269 K N -0.717 119.699 120.400 0.027 0.000 2.352 1269 K HA 0.123 4.424 4.320 -0.032 0.000 0.194 1269 K C 0.143 176.753 176.600 0.016 0.000 1.038 1269 K CA 0.307 56.607 56.287 0.022 0.000 1.023 1269 K CB 0.819 33.335 32.500 0.026 0.000 0.840 1269 K HN -0.183 nan 8.250 nan 0.000 0.519 1270 S N 2.274 117.983 115.700 0.014 0.000 2.664 1270 S HA 0.242 4.692 4.470 -0.032 0.000 0.262 1270 S C -2.344 172.265 174.600 0.016 0.000 1.229 1270 S CA -1.111 57.096 58.200 0.011 0.000 1.151 1270 S CB 1.803 65.004 63.200 0.003 0.000 1.054 1270 S HN -0.098 nan 8.310 nan 0.000 0.483 1271 P HA -0.073 nan 4.420 nan 0.000 0.215 1271 P C 0.545 177.846 177.300 0.002 0.000 1.153 1271 P CA 1.177 64.283 63.100 0.011 0.000 0.853 1271 P CB 0.156 31.860 31.700 0.006 0.000 0.788 1272 K N -0.950 119.446 120.400 -0.007 0.000 2.437 1272 K HA 0.355 4.656 4.320 -0.032 0.000 0.205 1272 K C 0.987 177.572 176.600 -0.024 0.000 1.026 1272 K CA 0.164 56.439 56.287 -0.019 0.000 1.153 1272 K CB 0.063 32.547 32.500 -0.026 0.000 0.863 1272 K HN 0.108 nan 8.250 nan 0.000 0.502 1273 G N 2.082 110.880 108.800 -0.003 0.000 2.562 1273 G HA2 -0.361 3.580 3.960 -0.032 0.000 0.250 1273 G HA3 -0.361 3.580 3.960 -0.032 0.000 0.250 1273 G C 0.267 175.119 174.900 -0.081 0.000 1.269 1273 G CA 0.335 45.441 45.100 0.009 0.000 0.919 1273 G HN 0.285 nan 8.290 nan 0.000 0.574 1274 K N -1.073 119.165 120.400 -0.270 0.000 2.380 1274 K HA 0.329 4.630 4.320 -0.032 0.000 0.200 1274 K C 1.304 177.730 176.600 -0.291 0.000 1.201 1274 K CA -0.134 55.946 56.287 -0.345 0.000 0.916 1274 K CB 0.021 32.132 32.500 -0.649 0.000 1.187 1274 K HN 0.487 nan 8.250 nan 0.000 0.498 1275 L N 3.589 124.602 121.223 -0.351 0.000 2.467 1275 L HA 0.155 4.476 4.340 -0.032 0.000 0.270 1275 L C 0.193 176.975 176.870 -0.147 0.000 1.205 1275 L CA -0.564 54.156 54.840 -0.199 0.000 0.828 1275 L CB 0.347 42.325 42.059 -0.136 0.000 1.101 1275 L HN 0.120 nan 8.230 nan 0.000 0.479 1276 R N 2.245 122.649 120.500 -0.160 0.000 2.308 1276 R HA 0.117 4.438 4.340 -0.032 0.000 0.305 1276 R C 0.710 176.818 176.300 -0.319 0.000 1.053 1276 R CA -0.572 55.345 56.100 -0.304 0.000 0.957 1276 R CB 0.804 30.742 30.300 -0.604 0.000 1.022 1276 R HN 0.520 nan 8.270 nan 0.000 0.461 1277 L N 3.782 124.852 121.223 -0.255 0.000 2.056 1277 L HA -0.102 4.219 4.340 -0.032 0.000 0.207 1277 L C 1.749 178.518 176.870 -0.169 0.000 1.078 1277 L CA 1.718 56.461 54.840 -0.161 0.000 0.749 1277 L CB -0.260 41.734 42.059 -0.108 0.000 0.901 1277 L HN 0.574 nan 8.230 nan 0.000 0.433 1278 L N -0.802 120.252 121.223 -0.282 0.000 2.005 1278 L HA -0.193 4.127 4.340 -0.032 0.000 0.207 1278 L C 2.220 179.061 176.870 -0.048 0.000 1.072 1278 L CA 2.064 56.822 54.840 -0.138 0.000 0.744 1278 L CB -0.927 41.064 42.059 -0.113 0.000 0.895 1278 L HN 0.541 nan 8.230 nan 0.000 0.433 1279 Y N -3.188 117.136 120.300 0.040 0.000 2.500 1279 Y HA 0.361 4.892 4.550 -0.031 0.000 0.246 1279 Y C 1.686 177.611 175.900 0.041 0.000 1.146 1279 Y CA -0.563 57.564 58.100 0.044 0.000 1.230 1279 Y CB -0.243 38.229 38.460 0.021 0.000 1.214 1279 Y HN 0.078 nan 8.280 nan 0.000 0.526 1280 E N -0.236 119.960 120.200 -0.007 0.000 2.476 1280 E HA 0.066 4.397 4.350 -0.032 0.000 0.193 1280 E C 1.423 178.026 176.600 0.005 0.000 0.966 1280 E CA 0.815 57.233 56.400 0.031 0.000 1.114 1280 E CB -0.209 29.501 29.700 0.016 0.000 1.151 1280 E HN 0.337 nan 8.360 nan 0.000 0.487 1281 C N 1.260 120.544 119.300 -0.026 0.000 2.486 1281 C HA 0.032 4.473 4.460 -0.032 0.000 0.279 1281 C C 2.394 177.402 174.990 0.030 0.000 1.302 1281 C CA 0.555 59.581 59.018 0.013 0.000 1.720 1281 C CB -1.175 26.564 27.740 -0.000 0.000 2.030 1281 C HN 0.450 nan 8.230 nan 0.000 0.490 1282 N N 1.237 119.951 118.700 0.023 0.000 2.084 1282 N HA -0.116 4.605 4.740 -0.032 0.000 0.190 1282 N C -1.034 174.513 175.510 0.061 0.000 1.030 1282 N CA 1.399 54.484 53.050 0.059 0.000 0.849 1282 N CB -0.677 37.860 38.487 0.082 0.000 1.012 1282 N HN 0.388 nan 8.380 nan 0.000 0.423 1283 P HA -0.153 nan 4.420 nan 0.000 0.215 1283 P C 1.198 178.535 177.300 0.062 0.000 1.157 1283 P CA 1.279 64.371 63.100 -0.013 0.000 0.868 1283 P CB 0.085 31.743 31.700 -0.071 0.000 0.788 1284 M N -1.161 118.472 119.600 0.055 0.000 2.175 1284 M HA -0.050 4.411 4.480 -0.032 0.000 0.264 1284 M C 2.151 178.498 176.300 0.078 0.000 1.063 1284 M CA 1.752 57.090 55.300 0.065 0.000 1.119 1284 M CB -2.011 30.598 32.600 0.015 0.000 1.377 1284 M HN -0.112 nan 8.290 nan 0.000 0.415 1285 A N -0.575 122.297 122.820 0.085 0.000 1.908 1285 A HA -0.233 4.067 4.320 -0.032 0.000 0.218 1285 A C 2.185 179.827 177.584 0.098 0.000 1.181 1285 A CA 1.606 53.694 52.037 0.085 0.000 0.627 1285 A CB -1.190 17.861 19.000 0.085 0.000 0.818 1285 A HN 0.492 nan 8.150 nan 0.000 0.445 1286 Y N 0.589 120.888 120.300 -0.001 0.000 2.145 1286 Y HA -0.182 4.348 4.550 -0.033 0.000 0.286 1286 Y C 2.438 178.332 175.900 -0.011 0.000 1.145 1286 Y CA 1.941 60.035 58.100 -0.010 0.000 1.148 1286 Y CB -0.391 38.047 38.460 -0.037 0.000 0.981 1286 Y HN 0.067 nan 8.280 nan 0.000 0.507 1287 V N -0.026 119.926 119.914 0.063 0.000 2.332 1287 V HA -0.373 3.728 4.120 -0.032 0.000 0.248 1287 V C 2.383 178.440 176.094 -0.062 0.000 1.055 1287 V CA 2.181 64.471 62.300 -0.017 0.000 1.038 1287 V CB -0.762 31.104 31.823 0.072 0.000 0.651 1287 V HN 0.441 nan 8.190 nan 0.000 0.450 1288 M N -0.242 119.349 119.600 -0.016 0.000 2.159 1288 M HA -0.132 4.329 4.480 -0.032 0.000 0.263 1288 M C 1.978 178.248 176.300 -0.051 0.000 1.063 1288 M CA 1.622 56.913 55.300 -0.015 0.000 1.110 1288 M CB -0.753 31.860 32.600 0.021 0.000 1.374 1288 M HN 0.371 nan 8.290 nan 0.000 0.411 1289 E N -1.109 119.037 120.200 -0.090 0.000 2.170 1289 E HA -0.114 4.217 4.350 -0.032 0.000 0.191 1289 E C 1.660 178.164 176.600 -0.159 0.000 0.981 1289 E CA 0.441 56.778 56.400 -0.105 0.000 0.830 1289 E CB 0.145 29.788 29.700 -0.095 0.000 0.775 1289 E HN 0.274 nan 8.360 nan 0.000 0.470 1290 K N 0.157 120.400 120.400 -0.261 0.000 2.362 1290 K HA -0.018 4.283 4.320 -0.032 0.000 0.200 1290 K C 1.425 177.950 176.600 -0.124 0.000 1.046 1290 K CA 0.567 56.711 56.287 -0.239 0.000 0.952 1290 K CB 0.151 32.441 32.500 -0.349 0.000 0.753 1290 K HN 0.022 nan 8.250 nan 0.000 0.466 1291 A N -0.114 122.648 122.820 -0.096 0.000 2.345 1291 A HA 0.371 4.672 4.320 -0.032 0.000 0.225 1291 A C 1.123 178.682 177.584 -0.041 0.000 1.243 1291 A CA 0.657 52.659 52.037 -0.059 0.000 0.875 1291 A CB -0.017 18.953 19.000 -0.049 0.000 0.929 1291 A HN 0.297 nan 8.150 nan 0.000 0.502 1292 G N -1.880 106.894 108.800 -0.043 0.000 2.131 1292 G HA2 0.018 3.959 3.960 -0.032 0.000 0.223 1292 G HA3 0.018 3.959 3.960 -0.032 0.000 0.223 1292 G C 0.609 175.502 174.900 -0.012 0.000 0.990 1292 G CA 0.218 45.303 45.100 -0.024 0.000 0.671 1292 G HN 1.318 nan 8.290 nan 0.000 0.521 1293 G N -1.134 107.657 108.800 -0.015 0.000 2.753 1293 G HA2 0.838 4.778 3.960 -0.032 0.000 0.285 1293 G HA3 0.838 4.778 3.960 -0.032 0.000 0.285 1293 G C -0.301 174.601 174.900 0.003 0.000 1.344 1293 G CA -1.016 44.085 45.100 0.003 0.000 1.050 1293 G HN 0.675 nan 8.290 nan 0.000 0.532 1294 L N -0.948 120.285 121.223 0.017 0.000 2.309 1294 L HA 0.798 5.119 4.340 -0.032 0.000 0.261 1294 L C -0.250 176.633 176.870 0.023 0.000 1.021 1294 L CA -1.167 53.682 54.840 0.014 0.000 0.823 1294 L CB 2.477 44.542 42.059 0.011 0.000 1.366 1294 L HN 0.681 nan 8.230 nan 0.000 0.423 1295 A N 0.586 123.416 122.820 0.017 0.000 2.429 1295 A HA 0.709 5.010 4.320 -0.032 0.000 0.289 1295 A C -0.820 176.764 177.584 0.001 0.000 1.043 1295 A CA -0.364 51.688 52.037 0.025 0.000 0.722 1295 A CB 1.907 20.933 19.000 0.043 0.000 1.243 1295 A HN 0.594 nan 8.150 nan 0.000 0.415 1296 T N -0.214 114.327 114.554 -0.022 0.000 2.841 1296 T HA 0.581 4.912 4.350 -0.032 0.000 0.296 1296 T C 1.140 175.783 174.700 -0.094 0.000 1.166 1296 T CA 0.540 62.604 62.100 -0.061 0.000 1.007 1296 T CB 1.465 70.283 68.868 -0.083 0.000 1.253 1296 T HN 1.292 nan 8.240 nan 0.000 0.511 1297 T N -0.850 113.627 114.554 -0.130 0.000 3.081 1297 T HA 0.395 4.726 4.350 -0.032 0.000 0.255 1297 T C 1.631 176.139 174.700 -0.319 0.000 1.113 1297 T CA 1.178 63.181 62.100 -0.161 0.000 1.082 1297 T CB -0.161 68.627 68.868 -0.132 0.000 0.939 1297 T HN 1.661 nan 8.240 nan 0.000 0.506 1298 G N 1.343 109.896 108.800 -0.410 0.000 2.238 1298 G HA2 -0.228 3.713 3.960 -0.032 0.000 0.217 1298 G HA3 -0.228 3.713 3.960 -0.032 0.000 0.217 1298 G C 0.818 175.363 174.900 -0.591 0.000 0.996 1298 G CA 0.272 44.874 45.100 -0.830 0.000 0.632 1298 G HN 0.569 nan 8.290 nan 0.000 0.503 1299 K N 0.331 120.529 120.400 -0.337 0.000 2.511 1299 K HA 0.372 4.673 4.320 -0.032 0.000 0.209 1299 K C 0.491 177.026 176.600 -0.109 0.000 1.301 1299 K CA 0.819 56.996 56.287 -0.183 0.000 0.967 1299 K CB 0.878 33.294 32.500 -0.139 0.000 1.109 1299 K HN 0.682 nan 8.250 nan 0.000 0.561 1300 E N -0.053 120.085 120.200 -0.105 0.000 2.392 1300 E HA 0.593 4.924 4.350 -0.032 0.000 0.279 1300 E C -1.379 175.189 176.600 -0.053 0.000 0.964 1300 E CA -1.270 55.092 56.400 -0.062 0.000 0.777 1300 E CB 1.418 31.090 29.700 -0.047 0.000 1.249 1300 E HN -0.024 nan 8.360 nan 0.000 0.449 1301 A N 1.874 124.676 122.820 -0.030 0.000 2.520 1301 A HA 0.183 4.484 4.320 -0.032 0.000 0.245 1301 A C 1.102 178.682 177.584 -0.006 0.000 1.072 1301 A CA -0.289 51.740 52.037 -0.015 0.000 0.761 1301 A CB 0.421 19.421 19.000 0.000 0.000 1.004 1301 A HN 0.536 nan 8.150 nan 0.000 0.499 1302 V N 3.244 123.158 119.914 0.001 0.000 2.490 1302 V HA -0.237 3.863 4.120 -0.032 0.000 0.250 1302 V C 2.174 178.286 176.094 0.029 0.000 1.061 1302 V CA 2.186 64.491 62.300 0.009 0.000 1.064 1302 V CB -0.752 31.082 31.823 0.019 0.000 0.670 1302 V HN 0.818 nan 8.190 nan 0.000 0.461 1303 L N -0.543 120.710 121.223 0.049 0.000 2.478 1303 L HA -0.021 4.300 4.340 -0.032 0.000 0.223 1303 L C 1.710 178.616 176.870 0.060 0.000 1.140 1303 L CA 0.718 55.606 54.840 0.080 0.000 0.842 1303 L CB -0.396 41.734 42.059 0.119 0.000 0.953 1303 L HN 0.296 nan 8.230 nan 0.000 0.452 1304 D N 0.172 120.592 120.400 0.033 0.000 2.349 1304 D HA 0.154 4.775 4.640 -0.032 0.000 0.215 1304 D C 0.824 177.127 176.300 0.005 0.000 1.016 1304 D CA 0.366 54.378 54.000 0.020 0.000 0.870 1304 D CB 0.317 41.124 40.800 0.012 0.000 0.917 1304 D HN 0.236 nan 8.370 nan 0.000 0.524 1305 I N 1.163 121.734 120.570 0.001 0.000 2.588 1305 I HA -0.019 4.132 4.170 -0.032 0.000 0.283 1305 I C 0.247 176.352 176.117 -0.020 0.000 1.119 1305 I CA -0.300 60.992 61.300 -0.013 0.000 1.419 1305 I CB 1.373 39.361 38.000 -0.020 0.000 1.394 1305 I HN -0.357 nan 8.210 nan 0.000 0.562 1306 V N 8.476 128.373 119.914 -0.029 0.000 2.320 1306 V HA 0.213 4.314 4.120 -0.032 0.000 0.265 1306 V C -1.813 174.253 176.094 -0.047 0.000 1.048 1306 V CA -1.504 60.771 62.300 -0.042 0.000 0.865 1306 V CB 0.227 32.027 31.823 -0.037 0.000 1.043 1306 V HN 0.621 nan 8.190 nan 0.000 0.474 1307 P HA 0.241 nan 4.420 nan 0.000 0.272 1307 P C 0.599 177.864 177.300 -0.059 0.000 1.230 1307 P CA -0.068 62.995 63.100 -0.061 0.000 0.788 1307 P CB 0.818 32.472 31.700 -0.077 0.000 0.949 1308 T N -4.057 110.466 114.554 -0.051 0.000 3.016 1308 T HA 0.207 4.538 4.350 -0.032 0.000 0.271 1308 T C -0.183 174.492 174.700 -0.042 0.000 0.968 1308 T CA -0.062 62.013 62.100 -0.042 0.000 0.891 1308 T CB -0.025 68.824 68.868 -0.030 0.000 1.149 1308 T HN 0.372 nan 8.240 nan 0.000 0.524 1309 D N 1.383 121.752 120.400 -0.052 0.000 2.890 1309 D HA 0.269 4.890 4.640 -0.032 0.000 0.233 1309 D C 1.185 177.426 176.300 -0.098 0.000 1.306 1309 D CA -0.941 53.028 54.000 -0.051 0.000 0.929 1309 D CB 1.492 42.282 40.800 -0.017 0.000 1.512 1309 D HN 0.039 nan 8.370 nan 0.000 0.568 1310 I N 1.790 122.257 120.570 -0.172 0.000 2.756 1310 I HA -0.056 4.095 4.170 -0.032 0.000 0.262 1310 I C 0.295 176.209 176.117 -0.338 0.000 1.225 1310 I CA 1.407 62.543 61.300 -0.274 0.000 1.472 1310 I CB -0.854 36.931 38.000 -0.359 0.000 1.094 1310 I HN 0.387 nan 8.210 nan 0.000 0.454 1311 H N 1.373 120.458 119.070 0.025 0.000 2.542 1311 H HA 0.339 4.876 4.556 -0.032 0.000 0.283 1311 H C 0.414 175.707 175.328 -0.058 0.000 1.059 1311 H CA -0.363 55.698 56.048 0.020 0.000 1.162 1311 H CB 0.018 29.827 29.762 0.078 0.000 1.539 1311 H HN 0.528 nan 8.280 nan 0.000 0.543 1312 Q N 1.703 121.495 119.800 -0.014 0.000 2.326 1312 Q HA -0.013 4.308 4.340 -0.032 0.000 0.314 1312 Q C -0.108 175.846 176.000 -0.076 0.000 1.091 1312 Q CA 0.481 56.260 55.803 -0.041 0.000 0.974 1312 Q CB 0.703 29.404 28.738 -0.061 0.000 1.220 1312 Q HN 0.358 nan 8.270 nan 0.000 0.398 1313 R N 1.049 121.515 120.500 -0.058 0.000 2.598 1313 R HA 0.714 5.034 4.340 -0.032 0.000 0.279 1313 R C -1.105 175.153 176.300 -0.069 0.000 0.984 1313 R CA -0.438 55.617 56.100 -0.076 0.000 0.999 1313 R CB 1.659 31.921 30.300 -0.063 0.000 1.114 1313 R HN 0.602 nan 8.270 nan 0.000 0.493 1314 A N 3.170 125.944 122.820 -0.076 0.000 2.455 1314 A HA 0.566 4.867 4.320 -0.032 0.000 0.300 1314 A C -2.642 174.915 177.584 -0.045 0.000 1.040 1314 A CA -1.946 50.057 52.037 -0.056 0.000 0.697 1314 A CB 1.459 20.428 19.000 -0.051 0.000 1.265 1314 A HN 0.387 nan 8.150 nan 0.000 0.407 1315 P HA 0.411 nan 4.420 nan 0.000 0.269 1315 P C -0.624 176.668 177.300 -0.014 0.000 1.209 1315 P CA 0.277 63.368 63.100 -0.015 0.000 0.776 1315 P CB 0.622 32.297 31.700 -0.041 0.000 0.876 1316 I N 1.962 122.541 120.570 0.016 0.000 2.722 1316 I HA 0.454 4.604 4.170 -0.032 0.000 0.292 1316 I C -1.732 174.387 176.117 0.002 0.000 1.267 1316 I CA -0.967 60.347 61.300 0.023 0.000 1.036 1316 I CB 1.469 39.520 38.000 0.085 0.000 1.281 1316 I HN 0.028 nan 8.210 nan 0.000 0.423 1317 I N 8.198 128.760 120.570 -0.014 0.000 2.478 1317 I HA 0.521 4.672 4.170 -0.032 0.000 0.287 1317 I C -1.068 175.065 176.117 0.028 0.000 1.042 1317 I CA -0.288 60.992 61.300 -0.033 0.000 1.067 1317 I CB 1.751 39.694 38.000 -0.097 0.000 1.233 1317 I HN 0.447 nan 8.210 nan 0.000 0.431 1318 L N 4.094 125.376 121.223 0.098 0.000 2.409 1318 L HA 1.176 5.497 4.340 -0.032 0.000 0.255 1318 L C 0.013 176.961 176.870 0.131 0.000 1.027 1318 L CA -0.302 54.607 54.840 0.115 0.000 0.834 1318 L CB 1.797 43.947 42.059 0.153 0.000 1.426 1318 L HN 0.774 nan 8.230 nan 0.000 0.411 1319 G N -0.507 108.351 108.800 0.095 0.000 2.260 1319 G HA2 0.133 4.074 3.960 -0.032 0.000 0.250 1319 G HA3 0.133 4.074 3.960 -0.032 0.000 0.250 1319 G C -1.112 173.832 174.900 0.074 0.000 1.340 1319 G CA -0.422 44.736 45.100 0.098 0.000 1.056 1319 G HN 0.829 nan 8.290 nan 0.000 0.471 1320 S N 3.214 118.966 115.700 0.087 0.000 2.563 1320 S HA 0.279 4.730 4.470 -0.032 0.000 0.294 1320 S C -0.650 173.993 174.600 0.071 0.000 1.279 1320 S CA 0.255 58.500 58.200 0.076 0.000 1.069 1320 S CB 1.468 64.725 63.200 0.095 0.000 0.828 1320 S HN 0.534 nan 8.310 nan 0.000 0.497 1321 P HA -0.172 nan 4.420 nan 0.000 0.215 1321 P C 0.908 178.241 177.300 0.055 0.000 1.153 1321 P CA 1.291 64.417 63.100 0.043 0.000 0.853 1321 P CB 0.218 31.936 31.700 0.031 0.000 0.788 1322 E N -0.405 119.836 120.200 0.069 0.000 2.150 1322 E HA -0.137 4.194 4.350 -0.032 0.000 0.193 1322 E C 1.818 178.487 176.600 0.115 0.000 0.985 1322 E CA 0.840 57.290 56.400 0.083 0.000 0.814 1322 E CB -0.289 29.462 29.700 0.085 0.000 0.752 1322 E HN 0.320 nan 8.360 nan 0.000 0.466 1323 D N 0.360 120.848 120.400 0.148 0.000 2.097 1323 D HA -0.114 4.507 4.640 -0.032 0.000 0.197 1323 D C 2.149 178.508 176.300 0.097 0.000 0.984 1323 D CA 0.878 55.000 54.000 0.203 0.000 0.826 1323 D CB -0.109 40.865 40.800 0.290 0.000 0.973 1323 D HN 0.038 nan 8.370 nan 0.000 0.460 1324 V N 1.404 121.350 119.914 0.054 0.000 2.332 1324 V HA -0.223 3.878 4.120 -0.032 0.000 0.248 1324 V C 2.540 178.628 176.094 -0.010 0.000 1.055 1324 V CA 1.851 64.146 62.300 -0.008 0.000 1.038 1324 V CB -0.870 30.958 31.823 0.009 0.000 0.651 1324 V HN 0.205 nan 8.190 nan 0.000 0.450 1325 T N -0.764 113.806 114.554 0.025 0.000 2.821 1325 T HA -0.196 4.134 4.350 -0.032 0.000 0.267 1325 T C 1.875 176.602 174.700 0.045 0.000 1.046 1325 T CA 1.544 63.662 62.100 0.031 0.000 1.139 1325 T CB -0.186 68.705 68.868 0.038 0.000 0.871 1325 T HN 0.624 nan 8.240 nan 0.000 0.454 1326 E N 0.440 120.683 120.200 0.072 0.000 2.085 1326 E HA -0.158 4.173 4.350 -0.032 0.000 0.194 1326 E C 2.116 178.774 176.600 0.097 0.000 0.994 1326 E CA 0.881 57.347 56.400 0.109 0.000 0.801 1326 E CB -0.131 29.679 29.700 0.184 0.000 0.743 1326 E HN 0.223 nan 8.360 nan 0.000 0.453 1327 L N 1.019 122.232 121.223 -0.018 0.000 2.056 1327 L HA -0.123 4.198 4.340 -0.032 0.000 0.207 1327 L C 2.159 179.074 176.870 0.075 0.000 1.078 1327 L CA 1.408 56.171 54.840 -0.127 0.000 0.749 1327 L CB -0.651 41.154 42.059 -0.424 0.000 0.901 1327 L HN 0.239 nan 8.230 nan 0.000 0.433 1328 L N -0.723 120.539 121.223 0.065 0.000 2.046 1328 L HA -0.247 4.074 4.340 -0.032 0.000 0.208 1328 L C 2.501 179.444 176.870 0.120 0.000 1.077 1328 L CA 1.484 56.382 54.840 0.096 0.000 0.747 1328 L CB -0.370 41.707 42.059 0.029 0.000 0.896 1328 L HN 0.341 nan 8.230 nan 0.000 0.432 1329 E N -0.126 120.124 120.200 0.084 0.000 2.097 1329 E HA -0.261 4.070 4.350 -0.032 0.000 0.196 1329 E C 2.134 178.789 176.600 0.092 0.000 1.000 1329 E CA 1.198 57.643 56.400 0.074 0.000 0.804 1329 E CB -0.013 29.721 29.700 0.057 0.000 0.740 1329 E HN 0.347 nan 8.360 nan 0.000 0.454 1330 I N 0.110 120.744 120.570 0.106 0.000 2.286 1330 I HA -0.233 3.918 4.170 -0.032 0.000 0.248 1330 I C 1.950 178.163 176.117 0.160 0.000 1.115 1330 I CA 1.470 62.843 61.300 0.120 0.000 1.392 1330 I CB -0.987 37.056 38.000 0.071 0.000 1.065 1330 I HN 0.162 nan 8.210 nan 0.000 0.418 1331 Y N 1.418 121.762 120.300 0.073 0.000 2.200 1331 Y HA -0.200 4.331 4.550 -0.032 0.000 0.290 1331 Y C 2.793 178.739 175.900 0.078 0.000 1.137 1331 Y CA 1.373 59.511 58.100 0.062 0.000 1.163 1331 Y CB -0.351 38.106 38.460 -0.005 0.000 0.988 1331 Y HN 0.253 nan 8.280 nan 0.000 0.518 1332 Q N 0.177 120.099 119.800 0.203 0.000 2.061 1332 Q HA -0.280 4.041 4.340 -0.032 0.000 0.204 1332 Q C 2.206 178.249 176.000 0.071 0.000 0.984 1332 Q CA 1.901 57.771 55.803 0.112 0.000 0.846 1332 Q CB -0.306 28.477 28.738 0.074 0.000 0.902 1332 Q HN 0.386 nan 8.270 nan 0.000 0.421 1333 K N 0.190 120.614 120.400 0.040 0.000 2.152 1333 K HA -0.191 4.110 4.320 -0.032 0.000 0.206 1333 K C 1.431 177.949 176.600 -0.137 0.000 1.048 1333 K CA 1.298 57.545 56.287 -0.067 0.000 0.933 1333 K CB 0.035 32.461 32.500 -0.123 0.000 0.721 1333 K HN 0.357 nan 8.250 nan 0.000 0.447 1334 H N -0.465 118.601 119.070 -0.006 0.000 2.551 1334 H HA 0.213 4.750 4.556 -0.032 0.000 0.271 1334 H C 0.647 175.984 175.328 0.015 0.000 0.984 1334 H CA 0.212 56.251 56.048 -0.015 0.000 1.164 1334 H CB 0.346 30.070 29.762 -0.063 0.000 1.437 1334 H HN 0.271 nan 8.280 nan 0.000 0.550 1335 A N 0.000 122.893 122.820 0.121 0.000 2.254 1335 A HA 0.000 4.301 4.320 -0.032 0.000 0.244 1335 A CA 0.000 52.097 52.037 0.100 0.000 0.836 1335 A CB 0.000 19.049 19.000 0.082 0.000 0.831 1335 A HN 0.000 nan 8.150 nan 0.000 0.486