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 1x14_1_A DATA FIRST_RESID 1000 DATA SEQUENCE HGRIGIPRER LTNETRVAAT PKTVEQLLKL GFTVAVESGA GQLASFDDKA DATA SEQUENCE FVQAGAEIVE GNSVWQSEII LKVNAPLDDE IALLNPGTTL VSFIWPAQNP DATA SEQUENCE ELMQKLAERN VTVMAMDSVP RISRAQSLDA LSSMANIAGY RAIVEAAHEF DATA SEQUENCE GRFFTGQITA AGKVPPAKVM VIGAGVAGLA AIGAANSLGA IVRAFDTRPE DATA SEQUENCE VKEQVQSMGA EFLELDFXXX XXXXDGYAKV MSDAFIKAEM ELFAAQAKEV DATA SEQUENCE DIIVTTALIP GKPAPKLITR EMVDSMKAGS VIVDLAAQNG GNCEYTVPGE DATA SEQUENCE IFTTENGVKV IGYTDLPGRL PTQSSQLYGT NLVNLLKLLC KEKDGNITVD DATA SEQUENCE FDDVVIRGVT VIRAGEITWP APP 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 1000 H HA 0.000 nan 4.556 nan 0.000 0.296 1000 H C 0.000 175.356 175.328 0.046 0.000 0.993 1000 H CA 0.000 56.063 56.048 0.024 0.000 1.023 1000 H CB 0.000 29.774 29.762 0.019 0.000 1.292 1001 G N 2.126 110.190 108.800 -1.227 0.000 3.180 1001 G HA2 0.192 4.143 3.960 -0.015 0.000 0.252 1001 G HA3 0.192 4.143 3.960 -0.015 0.000 0.252 1001 G C 0.069 174.675 174.900 -0.490 0.000 0.871 1001 G CA -0.165 44.478 45.100 -0.762 0.000 1.979 1001 G HN 0.438 nan 8.290 nan 0.000 0.624 1002 R N 0.942 121.330 120.500 -0.187 0.000 2.393 1002 R HA 0.548 4.879 4.340 -0.015 0.000 0.310 1002 R C -0.502 175.777 176.300 -0.034 0.000 0.968 1002 R CA -0.759 55.364 56.100 0.038 0.000 0.867 1002 R CB 0.941 31.320 30.300 0.131 0.000 1.124 1002 R HN 0.196 nan 8.270 nan 0.000 0.450 1003 I N 2.577 123.107 120.570 -0.067 0.000 2.359 1003 I HA 0.343 4.504 4.170 -0.015 0.000 0.294 1003 I C 0.520 176.540 176.117 -0.161 0.000 0.987 1003 I CA -0.517 60.678 61.300 -0.176 0.000 1.225 1003 I CB 2.060 39.897 38.000 -0.270 0.000 1.366 1003 I HN 0.689 nan 8.210 nan 0.000 0.466 1004 G N 7.112 115.788 108.800 -0.207 0.000 2.416 1004 G HA2 0.619 4.570 3.960 -0.015 0.000 0.324 1004 G HA3 0.619 4.570 3.960 -0.015 0.000 0.324 1004 G C -0.659 174.053 174.900 -0.315 0.000 1.194 1004 G CA -0.343 44.607 45.100 -0.251 0.000 0.922 1004 G HN 0.351 nan 8.290 nan 0.000 0.467 1005 I N 3.632 124.019 120.570 -0.304 0.000 2.388 1005 I HA 0.288 4.449 4.170 -0.015 0.000 0.281 1005 I C -2.387 173.543 176.117 -0.311 0.000 1.046 1005 I CA -3.148 57.972 61.300 -0.299 0.000 1.187 1005 I CB 0.938 38.762 38.000 -0.293 0.000 1.351 1005 I HN 0.174 nan 8.210 nan 0.000 0.472 1006 P HA 0.267 nan 4.420 nan 0.000 0.277 1006 P C -0.043 177.188 177.300 -0.115 0.000 1.240 1006 P CA -0.685 62.255 63.100 -0.268 0.000 0.798 1006 P CB 0.851 32.328 31.700 -0.372 0.000 0.979 1007 R N 1.995 122.469 120.500 -0.042 0.000 2.489 1007 R HA 0.040 4.371 4.340 -0.015 0.000 0.287 1007 R C 0.094 176.426 176.300 0.054 0.000 1.053 1007 R CA -0.015 56.093 56.100 0.014 0.000 1.036 1007 R CB 0.161 30.480 30.300 0.033 0.000 0.966 1007 R HN 0.427 nan 8.270 nan 0.000 0.432 1008 E N 4.137 124.371 120.200 0.057 0.000 2.344 1008 E HA -0.001 4.340 4.350 -0.015 0.000 0.270 1008 E C 0.278 176.922 176.600 0.074 0.000 1.021 1008 E CA 0.212 56.657 56.400 0.075 0.000 0.887 1008 E CB 1.190 30.930 29.700 0.065 0.000 0.997 1008 E HN 0.579 nan 8.360 nan 0.000 0.429 1009 R N 1.430 121.982 120.500 0.088 0.000 2.365 1009 R HA 0.110 4.441 4.340 -0.015 0.000 0.223 1009 R C 0.371 176.704 176.300 0.056 0.000 0.899 1009 R CA -0.499 55.644 56.100 0.072 0.000 1.059 1009 R CB 0.272 30.622 30.300 0.085 0.000 1.086 1009 R HN 0.260 nan 8.270 nan 0.000 0.522 1010 L N 2.683 123.940 121.223 0.057 0.000 2.601 1010 L HA -0.040 4.291 4.340 -0.015 0.000 0.277 1010 L C -0.195 176.694 176.870 0.030 0.000 1.219 1010 L CA 1.078 55.943 54.840 0.042 0.000 0.915 1010 L CB 0.493 42.578 42.059 0.043 0.000 1.160 1010 L HN 0.039 nan 8.230 nan 0.000 0.494 1011 T N 6.379 120.946 114.554 0.022 0.000 2.933 1011 T HA -0.008 4.333 4.350 -0.015 0.000 0.306 1011 T C 1.013 175.719 174.700 0.010 0.000 1.045 1011 T CA 0.727 62.837 62.100 0.016 0.000 1.143 1011 T CB -0.068 68.807 68.868 0.012 0.000 1.003 1011 T HN 0.858 nan 8.240 nan 0.000 0.540 1012 N N -0.278 118.426 118.700 0.007 0.000 2.900 1012 N HA -0.151 4.580 4.740 -0.015 0.000 0.240 1012 N C -0.051 175.457 175.510 -0.004 0.000 0.953 1012 N CA 1.208 54.257 53.050 -0.003 0.000 0.950 1012 N CB -0.907 37.573 38.487 -0.011 0.000 1.102 1012 N HN 0.768 nan 8.380 nan 0.000 0.593 1013 E N 0.748 120.953 120.200 0.008 0.000 2.376 1013 E HA 0.224 4.565 4.350 -0.015 0.000 0.266 1013 E C 1.260 177.870 176.600 0.016 0.000 1.009 1013 E CA 0.915 57.322 56.400 0.011 0.000 0.902 1013 E CB 0.584 30.299 29.700 0.025 0.000 0.972 1013 E HN 0.350 nan 8.360 nan 0.000 0.439 1014 T N 0.990 115.551 114.554 0.013 0.000 2.959 1014 T HA 0.278 4.619 4.350 -0.015 0.000 0.254 1014 T C 0.626 175.354 174.700 0.047 0.000 1.003 1014 T CA -0.316 61.795 62.100 0.020 0.000 0.950 1014 T CB 0.152 69.018 68.868 -0.003 0.000 1.090 1014 T HN 0.248 nan 8.240 nan 0.000 0.503 1015 R N 0.733 121.264 120.500 0.052 0.000 2.615 1015 R HA 0.674 5.006 4.340 -0.015 0.000 0.270 1015 R C -0.842 175.529 176.300 0.119 0.000 1.081 1015 R CA -0.465 55.688 56.100 0.089 0.000 1.154 1015 R CB 1.201 31.534 30.300 0.055 0.000 1.063 1015 R HN 0.172 nan 8.270 nan 0.000 0.519 1016 V N 0.387 120.408 119.914 0.178 0.000 2.962 1016 V HA 0.475 4.586 4.120 -0.015 0.000 0.313 1016 V C 0.150 176.373 176.094 0.215 0.000 1.099 1016 V CA -0.306 62.103 62.300 0.182 0.000 0.971 1016 V CB 2.023 33.989 31.823 0.239 0.000 1.028 1016 V HN 0.903 nan 8.190 nan 0.000 0.430 1017 A N 4.175 127.092 122.820 0.162 0.000 2.208 1017 A HA 0.801 5.112 4.320 -0.015 0.000 0.209 1017 A C 0.810 178.424 177.584 0.050 0.000 1.161 1017 A CA 0.895 53.040 52.037 0.180 0.000 0.782 1017 A CB -0.285 18.777 19.000 0.102 0.000 0.816 1017 A HN 1.785 nan 8.150 nan 0.000 0.477 1018 A N -0.991 121.863 122.820 0.058 0.000 2.549 1018 A HA 0.650 4.962 4.320 -0.015 0.000 0.297 1018 A C -0.112 177.553 177.584 0.135 0.000 1.061 1018 A CA 0.138 52.197 52.037 0.037 0.000 0.690 1018 A CB 0.653 19.644 19.000 -0.016 0.000 1.287 1018 A HN 0.615 nan 8.150 nan 0.000 0.402 1019 T N -1.041 113.477 114.554 -0.059 0.000 2.938 1019 T HA 0.694 5.035 4.350 -0.015 0.000 0.285 1019 T C -2.259 172.193 174.700 -0.413 0.000 1.028 1019 T CA -1.880 59.902 62.100 -0.530 0.000 1.005 1019 T CB 1.462 69.872 68.868 -0.764 0.000 1.157 1019 T HN 0.170 nan 8.240 nan 0.000 0.550 1020 P HA -0.045 nan 4.420 nan 0.000 0.216 1020 P C 1.369 178.535 177.300 -0.223 0.000 1.153 1020 P CA 1.142 63.982 63.100 -0.434 0.000 0.858 1020 P CB 0.049 31.453 31.700 -0.493 0.000 0.789 1021 K N -0.752 119.502 120.400 -0.244 0.000 2.032 1021 K HA -0.132 4.179 4.320 -0.015 0.000 0.209 1021 K C 2.106 178.650 176.600 -0.095 0.000 1.048 1021 K CA 2.209 58.416 56.287 -0.132 0.000 0.927 1021 K CB -1.094 31.340 32.500 -0.110 0.000 0.712 1021 K HN 0.268 nan 8.250 nan 0.000 0.441 1022 T N -2.149 112.341 114.554 -0.106 0.000 2.995 1022 T HA -0.034 4.307 4.350 -0.015 0.000 0.269 1022 T C 1.873 176.547 174.700 -0.043 0.000 1.091 1022 T CA 0.873 62.931 62.100 -0.070 0.000 1.128 1022 T CB -0.279 68.541 68.868 -0.079 0.000 0.891 1022 T HN -0.082 nan 8.240 nan 0.000 0.492 1023 V N 1.618 121.518 119.914 -0.024 0.000 2.358 1023 V HA -0.121 3.990 4.120 -0.015 0.000 0.246 1023 V C 2.752 178.854 176.094 0.013 0.000 1.047 1023 V CA 1.876 64.184 62.300 0.014 0.000 1.035 1023 V CB -0.652 31.221 31.823 0.082 0.000 0.658 1023 V HN 0.553 nan 8.190 nan 0.000 0.452 1024 E N -0.202 119.996 120.200 -0.004 0.000 2.065 1024 E HA -0.342 3.999 4.350 -0.015 0.000 0.201 1024 E C 2.318 178.923 176.600 0.008 0.000 1.016 1024 E CA 1.967 58.367 56.400 -0.001 0.000 0.818 1024 E CB -0.202 29.488 29.700 -0.017 0.000 0.749 1024 E HN 0.669 nan 8.360 nan 0.000 0.453 1025 Q N 0.224 120.023 119.800 -0.001 0.000 2.124 1025 Q HA -0.142 4.189 4.340 -0.015 0.000 0.202 1025 Q C 2.395 178.420 176.000 0.042 0.000 0.977 1025 Q CA 0.957 56.765 55.803 0.009 0.000 0.850 1025 Q CB -0.103 28.629 28.738 -0.010 0.000 0.901 1025 Q HN 0.323 nan 8.270 nan 0.000 0.429 1026 L N -0.066 121.181 121.223 0.040 0.000 2.079 1026 L HA -0.222 4.109 4.340 -0.015 0.000 0.210 1026 L C 2.028 179.019 176.870 0.202 0.000 1.081 1026 L CA 0.623 55.522 54.840 0.098 0.000 0.752 1026 L CB -0.308 41.754 42.059 0.004 0.000 0.896 1026 L HN 0.259 nan 8.230 nan 0.000 0.433 1027 L N -0.412 120.881 121.223 0.116 0.000 2.156 1027 L HA -0.133 4.198 4.340 -0.015 0.000 0.208 1027 L C 2.447 179.354 176.870 0.062 0.000 1.095 1027 L CA 1.538 56.438 54.840 0.101 0.000 0.770 1027 L CB -0.766 41.330 42.059 0.061 0.000 0.914 1027 L HN 0.136 nan 8.230 nan 0.000 0.439 1028 K N -0.331 120.098 120.400 0.048 0.000 2.283 1028 K HA 0.002 4.313 4.320 -0.015 0.000 0.202 1028 K C 1.714 178.318 176.600 0.007 0.000 1.048 1028 K CA 0.737 57.036 56.287 0.020 0.000 0.948 1028 K CB -0.118 32.391 32.500 0.014 0.000 0.742 1028 K HN 0.345 nan 8.250 nan 0.000 0.458 1029 L N 0.114 121.365 121.223 0.047 0.000 2.599 1029 L HA 0.037 4.369 4.340 -0.015 0.000 0.230 1029 L C 1.155 177.864 176.870 -0.268 0.000 1.141 1029 L CA 0.453 55.290 54.840 -0.005 0.000 0.877 1029 L CB -0.387 41.810 42.059 0.231 0.000 1.009 1029 L HN 0.374 nan 8.230 nan 0.000 0.447 1030 G N -0.486 108.203 108.800 -0.185 0.000 2.176 1030 G HA2 -0.289 3.662 3.960 -0.015 0.000 0.253 1030 G HA3 -0.289 3.662 3.960 -0.015 0.000 0.253 1030 G C 0.143 174.886 174.900 -0.261 0.000 0.979 1030 G CA -0.343 44.608 45.100 -0.247 0.000 0.641 1030 G HN 0.200 nan 8.290 nan 0.000 0.530 1031 F N 1.768 121.723 119.950 0.008 0.000 2.370 1031 F HA 0.611 5.131 4.527 -0.011 0.000 0.319 1031 F C 1.361 177.215 175.800 0.089 0.000 1.129 1031 F CA 0.226 58.230 58.000 0.007 0.000 1.109 1031 F CB 0.928 39.899 39.000 -0.049 0.000 1.262 1031 F HN 0.151 nan 8.300 nan 0.000 0.534 1032 T N -1.230 113.550 114.554 0.376 0.000 2.943 1032 T HA 0.777 5.119 4.350 -0.015 0.000 0.284 1032 T C -0.819 173.972 174.700 0.150 0.000 1.015 1032 T CA -0.812 61.433 62.100 0.242 0.000 1.042 1032 T CB 1.597 70.609 68.868 0.240 0.000 1.055 1032 T HN 0.361 nan 8.240 nan 0.000 0.500 1033 V N 0.830 120.788 119.914 0.072 0.000 2.577 1033 V HA 0.753 4.864 4.120 -0.015 0.000 0.303 1033 V C -0.088 175.990 176.094 -0.028 0.000 1.042 1033 V CA -1.061 61.238 62.300 -0.001 0.000 0.872 1033 V CB 1.398 33.212 31.823 -0.015 0.000 0.998 1033 V HN 1.345 nan 8.190 nan 0.000 0.423 1034 A N 4.276 127.053 122.820 -0.070 0.000 2.330 1034 A HA 0.907 5.218 4.320 -0.015 0.000 0.327 1034 A C -0.889 176.586 177.584 -0.182 0.000 1.155 1034 A CA -0.587 51.391 52.037 -0.098 0.000 0.803 1034 A CB 1.664 20.620 19.000 -0.074 0.000 1.208 1034 A HN 0.701 nan 8.150 nan 0.000 0.477 1035 V N 2.337 122.114 119.914 -0.227 0.000 2.448 1035 V HA 0.289 4.400 4.120 -0.015 0.000 0.295 1035 V C 0.356 176.303 176.094 -0.246 0.000 1.025 1035 V CA -0.648 61.438 62.300 -0.356 0.000 0.859 1035 V CB 1.481 32.903 31.823 -0.669 0.000 0.988 1035 V HN 1.032 nan 8.190 nan 0.000 0.431 1036 E N 3.068 123.139 120.200 -0.215 0.000 2.415 1036 E HA 0.101 4.442 4.350 -0.015 0.000 0.263 1036 E C 0.392 176.935 176.600 -0.095 0.000 0.995 1036 E CA -0.089 56.238 56.400 -0.123 0.000 0.915 1036 E CB 0.722 30.366 29.700 -0.092 0.000 0.951 1036 E HN 0.767 nan 8.360 nan 0.000 0.449 1037 S N 3.225 118.900 115.700 -0.041 0.000 2.563 1037 S HA 0.191 4.652 4.470 -0.015 0.000 0.294 1037 S C 1.061 175.671 174.600 0.017 0.000 1.279 1037 S CA 0.883 59.081 58.200 -0.003 0.000 1.069 1037 S CB 0.058 63.267 63.200 0.016 0.000 0.828 1037 S HN 0.945 nan 8.310 nan 0.000 0.497 1038 G N 3.375 112.205 108.800 0.050 0.000 2.199 1038 G HA2 -0.255 3.697 3.960 -0.015 0.000 0.254 1038 G HA3 -0.255 3.697 3.960 -0.015 0.000 0.254 1038 G C 1.044 175.990 174.900 0.077 0.000 0.982 1038 G CA 0.556 45.697 45.100 0.068 0.000 0.632 1038 G HN 1.501 nan 8.290 nan 0.000 0.529 1039 A N 0.289 123.132 122.820 0.039 0.000 1.940 1039 A HA 0.342 4.653 4.320 -0.015 0.000 0.219 1039 A C 2.543 180.210 177.584 0.138 0.000 1.176 1039 A CA 2.339 54.392 52.037 0.028 0.000 0.631 1039 A CB -0.636 18.306 19.000 -0.096 0.000 0.814 1039 A HN 1.641 nan 8.150 nan 0.000 0.446 1040 G N -1.750 107.225 108.800 0.292 0.000 3.088 1040 G HA2 0.174 4.125 3.960 -0.015 0.000 0.217 1040 G HA3 0.174 4.125 3.960 -0.015 0.000 0.217 1040 G C 1.232 176.306 174.900 0.291 0.000 1.159 1040 G CA 0.722 46.108 45.100 0.477 0.000 0.760 1040 G HN 0.518 nan 8.290 nan 0.000 0.550 1041 Q N 0.362 120.273 119.800 0.185 0.000 2.030 1041 Q HA -0.020 4.311 4.340 -0.015 0.000 0.204 1041 Q C 2.257 178.279 176.000 0.036 0.000 0.986 1041 Q CA 1.344 57.207 55.803 0.100 0.000 0.843 1041 Q CB -0.338 28.445 28.738 0.075 0.000 0.904 1041 Q HN 0.467 nan 8.270 nan 0.000 0.420 1042 L N -0.466 120.781 121.223 0.039 0.000 2.362 1042 L HA -0.018 4.313 4.340 -0.015 0.000 0.219 1042 L C 1.760 178.614 176.870 -0.026 0.000 1.134 1042 L CA 0.678 55.520 54.840 0.005 0.000 0.807 1042 L CB -0.286 41.782 42.059 0.016 0.000 0.927 1042 L HN 0.255 nan 8.230 nan 0.000 0.447 1043 A N -0.957 121.855 122.820 -0.014 0.000 2.345 1043 A HA 0.145 4.457 4.320 -0.015 0.000 0.225 1043 A C 1.367 178.684 177.584 -0.444 0.000 1.243 1043 A CA 0.604 52.577 52.037 -0.106 0.000 0.875 1043 A CB -0.069 18.982 19.000 0.085 0.000 0.929 1043 A HN 0.469 nan 8.150 nan 0.000 0.502 1044 S N -2.396 113.119 115.700 -0.308 0.000 3.315 1044 S HA -0.175 4.286 4.470 -0.015 0.000 0.283 1044 S C -0.391 173.953 174.600 -0.426 0.000 1.279 1044 S CA 0.900 58.884 58.200 -0.360 0.000 0.984 1044 S CB -2.969 59.990 63.200 -0.401 0.000 1.184 1044 S HN 0.592 nan 8.310 nan 0.000 0.653 1045 F N 3.355 123.289 119.950 -0.027 0.000 2.308 1045 F HA 0.562 5.075 4.527 -0.023 0.000 0.370 1045 F C 0.568 176.365 175.800 -0.005 0.000 1.100 1045 F CA -1.193 56.726 58.000 -0.135 0.000 1.108 1045 F CB 0.857 39.684 39.000 -0.288 0.000 1.293 1045 F HN 0.336 nan 8.300 nan 0.000 0.478 1046 D N 0.282 120.768 120.400 0.142 0.000 2.387 1046 D HA 0.124 4.756 4.640 -0.015 0.000 0.251 1046 D C 0.722 177.164 176.300 0.237 0.000 1.141 1046 D CA -0.470 53.629 54.000 0.165 0.000 0.987 1046 D CB 0.745 41.598 40.800 0.088 0.000 1.116 1046 D HN 0.224 nan 8.370 nan 0.000 0.491 1047 D N -0.292 120.248 120.400 0.234 0.000 2.126 1047 D HA -0.252 4.379 4.640 -0.015 0.000 0.190 1047 D C 1.806 178.227 176.300 0.200 0.000 1.001 1047 D CA 2.228 56.375 54.000 0.245 0.000 0.841 1047 D CB -0.296 40.586 40.800 0.136 0.000 0.949 1047 D HN 0.766 nan 8.370 nan 0.000 0.446 1048 K N 0.644 121.115 120.400 0.117 0.000 2.209 1048 K HA 0.055 4.366 4.320 -0.015 0.000 0.204 1048 K C 2.069 178.702 176.600 0.056 0.000 1.048 1048 K CA 1.381 57.714 56.287 0.077 0.000 0.940 1048 K CB -0.137 32.392 32.500 0.049 0.000 0.729 1048 K HN 0.069 nan 8.250 nan 0.000 0.451 1049 A N 0.963 123.799 122.820 0.026 0.000 1.969 1049 A HA 0.001 4.312 4.320 -0.015 0.000 0.218 1049 A C 1.739 179.244 177.584 -0.132 0.000 1.169 1049 A CA 0.764 52.760 52.037 -0.068 0.000 0.635 1049 A CB -0.626 18.313 19.000 -0.101 0.000 0.810 1049 A HN 0.315 nan 8.150 nan 0.000 0.445 1050 F N -0.271 119.685 119.950 0.010 0.000 2.186 1050 F HA -0.108 4.407 4.527 -0.019 0.000 0.299 1050 F C 2.407 178.197 175.800 -0.018 0.000 1.090 1050 F CA 1.356 59.342 58.000 -0.023 0.000 1.307 1050 F CB -0.534 38.454 39.000 -0.021 0.000 1.019 1050 F HN 0.025 nan 8.300 nan 0.000 0.489 1051 V N -0.197 119.820 119.914 0.171 0.000 2.427 1051 V HA -0.317 3.795 4.120 -0.015 0.000 0.248 1051 V C 2.359 178.487 176.094 0.056 0.000 1.051 1051 V CA 2.044 64.400 62.300 0.094 0.000 1.048 1051 V CB -0.777 31.090 31.823 0.073 0.000 0.666 1051 V HN 0.368 nan 8.190 nan 0.000 0.456 1052 Q N 0.392 120.214 119.800 0.037 0.000 2.181 1052 Q HA -0.196 4.135 4.340 -0.015 0.000 0.205 1052 Q C 2.026 178.031 176.000 0.007 0.000 0.980 1052 Q CA 2.000 57.810 55.803 0.013 0.000 0.862 1052 Q CB -0.285 28.451 28.738 -0.003 0.000 0.905 1052 Q HN 0.631 nan 8.270 nan 0.000 0.429 1053 A N -0.651 122.175 122.820 0.009 0.000 2.167 1053 A HA 0.262 4.573 4.320 -0.015 0.000 0.214 1053 A C 1.543 179.144 177.584 0.028 0.000 1.151 1053 A CA 0.945 52.985 52.037 0.005 0.000 0.735 1053 A CB -0.249 18.744 19.000 -0.011 0.000 0.802 1053 A HN 0.698 nan 8.150 nan 0.000 0.467 1054 G N -2.653 106.171 108.800 0.041 0.000 2.175 1054 G HA2 0.211 4.162 3.960 -0.015 0.000 0.182 1054 G HA3 0.211 4.162 3.960 -0.015 0.000 0.182 1054 G C 0.292 175.220 174.900 0.045 0.000 1.003 1054 G CA 0.106 45.228 45.100 0.037 0.000 0.666 1054 G HN 1.408 nan 8.290 nan 0.000 0.506 1055 A N -0.060 122.800 122.820 0.067 0.000 2.286 1055 A HA 0.733 5.044 4.320 -0.015 0.000 0.286 1055 A C 0.333 177.938 177.584 0.036 0.000 1.097 1055 A CA 0.266 52.333 52.037 0.050 0.000 0.821 1055 A CB 0.776 19.815 19.000 0.064 0.000 1.076 1055 A HN 0.556 nan 8.150 nan 0.000 0.490 1056 E N 1.326 121.530 120.200 0.007 0.000 2.216 1056 E HA 0.416 4.758 4.350 -0.015 0.000 0.279 1056 E C -0.960 175.627 176.600 -0.020 0.000 0.997 1056 E CA -0.644 55.757 56.400 0.001 0.000 0.817 1056 E CB 0.638 30.337 29.700 -0.002 0.000 1.096 1056 E HN 0.475 nan 8.360 nan 0.000 0.393 1057 I N 5.127 125.693 120.570 -0.006 0.000 2.365 1057 I HA 0.192 4.353 4.170 -0.015 0.000 0.291 1057 I C 0.396 176.502 176.117 -0.018 0.000 1.004 1057 I CA -0.461 60.827 61.300 -0.020 0.000 1.311 1057 I CB 0.728 38.735 38.000 0.011 0.000 1.401 1057 I HN 0.389 nan 8.210 nan 0.000 0.491 1058 V N 3.818 123.713 119.914 -0.033 0.000 3.102 1058 V HA 0.720 4.831 4.120 -0.015 0.000 0.312 1058 V C -0.664 175.424 176.094 -0.010 0.000 1.135 1058 V CA -0.782 61.508 62.300 -0.017 0.000 1.022 1058 V CB 2.542 34.352 31.823 -0.021 0.000 1.056 1058 V HN 0.768 nan 8.190 nan 0.000 0.436 1059 E N 1.224 121.429 120.200 0.009 0.000 2.277 1059 E HA 0.687 5.028 4.350 -0.015 0.000 0.266 1059 E C 0.371 176.993 176.600 0.038 0.000 0.901 1059 E CA -0.318 56.094 56.400 0.020 0.000 0.782 1059 E CB 1.960 31.672 29.700 0.021 0.000 1.228 1059 E HN 1.617 nan 8.360 nan 0.000 0.424 1060 G N 2.578 111.408 108.800 0.050 0.000 2.564 1060 G HA2 -0.342 3.609 3.960 -0.015 0.000 0.273 1060 G HA3 -0.342 3.609 3.960 -0.015 0.000 0.273 1060 G C 0.274 175.246 174.900 0.120 0.000 1.242 1060 G CA 0.188 45.333 45.100 0.074 0.000 0.951 1060 G HN 0.609 nan 8.290 nan 0.000 0.564 1061 N N 1.181 119.967 118.700 0.143 0.000 2.449 1061 N HA 0.102 4.833 4.740 -0.015 0.000 0.191 1061 N C 2.207 177.857 175.510 0.233 0.000 1.161 1061 N CA 1.118 54.324 53.050 0.260 0.000 0.863 1061 N CB -0.013 38.568 38.487 0.158 0.000 0.980 1061 N HN 0.500 nan 8.380 nan 0.000 0.458 1062 S N -0.107 115.668 115.700 0.125 0.000 2.419 1062 S HA -0.116 4.345 4.470 -0.015 0.000 0.235 1062 S C 2.048 176.687 174.600 0.064 0.000 1.019 1062 S CA 0.533 58.783 58.200 0.084 0.000 0.982 1062 S CB -0.355 62.871 63.200 0.044 0.000 0.789 1062 S HN 0.237 nan 8.310 nan 0.000 0.490 1063 V N 0.549 120.478 119.914 0.025 0.000 2.490 1063 V HA -0.121 3.990 4.120 -0.015 0.000 0.250 1063 V C 1.446 177.434 176.094 -0.176 0.000 1.061 1063 V CA 1.407 63.629 62.300 -0.129 0.000 1.064 1063 V CB -0.609 31.059 31.823 -0.258 0.000 0.670 1063 V HN 0.714 nan 8.190 nan 0.000 0.461 1064 W N -0.396 120.893 121.300 -0.019 0.000 2.825 1064 W HA 0.072 4.722 4.660 -0.017 0.000 0.243 1064 W C 1.364 177.875 176.519 -0.012 0.000 1.293 1064 W CA -0.003 57.332 57.345 -0.017 0.000 1.403 1064 W CB -0.083 29.370 29.460 -0.013 0.000 1.134 1064 W HN 0.243 nan 8.180 nan 0.000 0.666 1065 Q N 0.599 120.488 119.800 0.148 0.000 3.122 1065 Q HA 0.221 4.552 4.340 -0.015 0.000 0.360 1065 Q C -0.186 175.842 176.000 0.046 0.000 1.300 1065 Q CA 0.313 56.171 55.803 0.092 0.000 0.982 1065 Q CB 0.268 29.052 28.738 0.076 0.000 1.534 1065 Q HN -0.048 nan 8.270 nan 0.000 0.474 1066 S N 0.123 115.838 115.700 0.024 0.000 2.568 1066 S HA 0.201 4.662 4.470 -0.015 0.000 0.293 1066 S C 0.932 175.526 174.600 -0.009 0.000 1.089 1066 S CA -0.731 57.462 58.200 -0.011 0.000 0.945 1066 S CB 2.412 65.567 63.200 -0.075 0.000 1.077 1066 S HN 0.397 nan 8.310 nan 0.000 0.485 1067 E N 0.784 120.973 120.200 -0.019 0.000 2.153 1067 E HA -0.047 4.294 4.350 -0.015 0.000 0.194 1067 E C -0.381 176.194 176.600 -0.043 0.000 0.988 1067 E CA 1.083 57.470 56.400 -0.021 0.000 0.811 1067 E CB 0.175 29.859 29.700 -0.028 0.000 0.746 1067 E HN 0.506 nan 8.360 nan 0.000 0.466 1068 I N 1.457 121.974 120.570 -0.088 0.000 2.533 1068 I HA 0.248 4.409 4.170 -0.015 0.000 0.290 1068 I C -0.701 175.312 176.117 -0.174 0.000 1.056 1068 I CA -0.694 60.523 61.300 -0.137 0.000 1.057 1068 I CB 2.158 40.025 38.000 -0.222 0.000 1.240 1068 I HN -0.118 nan 8.210 nan 0.000 0.423 1069 I N 6.895 127.364 120.570 -0.169 0.000 2.378 1069 I HA 0.429 4.591 4.170 -0.015 0.000 0.291 1069 I C -0.468 175.522 176.117 -0.212 0.000 0.992 1069 I CA -0.496 60.657 61.300 -0.245 0.000 1.154 1069 I CB 1.620 39.459 38.000 -0.269 0.000 1.315 1069 I HN 0.377 nan 8.210 nan 0.000 0.448 1070 L N 6.997 128.080 121.223 -0.233 0.000 2.305 1070 L HA 0.529 4.861 4.340 -0.015 0.000 0.284 1070 L C 0.016 176.811 176.870 -0.126 0.000 1.013 1070 L CA -0.581 54.153 54.840 -0.177 0.000 0.819 1070 L CB 1.209 43.147 42.059 -0.201 0.000 1.227 1070 L HN 0.502 nan 8.230 nan 0.000 0.417 1071 K N 2.028 122.407 120.400 -0.035 0.000 2.444 1071 K HA 0.502 4.813 4.320 -0.015 0.000 0.252 1071 K C 0.233 176.954 176.600 0.200 0.000 0.993 1071 K CA -0.885 55.432 56.287 0.049 0.000 0.847 1071 K CB 2.709 35.234 32.500 0.040 0.000 1.340 1071 K HN 0.136 nan 8.250 nan 0.000 0.446 1072 V N 0.361 120.383 119.914 0.181 0.000 2.283 1072 V HA -0.087 4.024 4.120 -0.015 0.000 0.239 1072 V C 0.673 176.876 176.094 0.182 0.000 1.035 1072 V CA 1.066 63.420 62.300 0.089 0.000 1.018 1072 V CB -0.252 31.558 31.823 -0.022 0.000 0.658 1072 V HN 0.643 nan 8.190 nan 0.000 0.459 1073 N N 0.197 118.986 118.700 0.148 0.000 2.495 1073 N HA 0.506 5.237 4.740 -0.015 0.000 0.280 1073 N C -0.142 175.463 175.510 0.158 0.000 1.168 1073 N CA 0.132 53.284 53.050 0.170 0.000 0.978 1073 N CB 1.306 39.866 38.487 0.122 0.000 1.191 1073 N HN 0.376 nan 8.380 nan 0.000 0.497 1074 A N 1.361 124.276 122.820 0.158 0.000 2.425 1074 A HA 0.289 4.600 4.320 -0.015 0.000 0.242 1074 A C -2.058 175.607 177.584 0.134 0.000 1.077 1074 A CA -0.761 51.355 52.037 0.132 0.000 0.781 1074 A CB -0.671 18.398 19.000 0.114 0.000 1.020 1074 A HN 0.418 nan 8.150 nan 0.000 0.494 1075 P HA 0.106 nan 4.420 nan 0.000 0.262 1075 P C -0.269 177.070 177.300 0.064 0.000 1.182 1075 P CA 0.388 63.572 63.100 0.140 0.000 0.761 1075 P CB 0.176 31.947 31.700 0.118 0.000 0.795 1076 L N 2.338 123.590 121.223 0.048 0.000 2.456 1076 L HA 0.041 4.372 4.340 -0.015 0.000 0.246 1076 L C 1.643 178.498 176.870 -0.025 0.000 1.238 1076 L CA -0.285 54.564 54.840 0.016 0.000 0.826 1076 L CB -0.112 41.956 42.059 0.016 0.000 1.150 1076 L HN 0.299 nan 8.230 nan 0.000 0.514 1077 D N 0.128 120.513 120.400 -0.025 0.000 2.127 1077 D HA -0.210 4.421 4.640 -0.015 0.000 0.190 1077 D C 1.293 177.546 176.300 -0.078 0.000 1.000 1077 D CA 1.664 55.639 54.000 -0.043 0.000 0.839 1077 D CB -0.172 40.610 40.800 -0.029 0.000 0.955 1077 D HN 0.562 nan 8.370 nan 0.000 0.446 1078 D N -0.329 120.022 120.400 -0.082 0.000 2.332 1078 D HA -0.010 4.621 4.640 -0.015 0.000 0.244 1078 D C 0.841 177.014 176.300 -0.211 0.000 1.136 1078 D CA 0.218 54.146 54.000 -0.120 0.000 0.884 1078 D CB 0.018 40.765 40.800 -0.088 0.000 0.906 1078 D HN 0.309 nan 8.370 nan 0.000 0.520 1079 E N -1.043 119.006 120.200 -0.251 0.000 2.372 1079 E HA 0.116 4.457 4.350 -0.015 0.000 0.201 1079 E C 1.929 178.214 176.600 -0.525 0.000 0.938 1079 E CA -0.096 55.998 56.400 -0.510 0.000 0.944 1079 E CB 0.594 30.079 29.700 -0.358 0.000 0.937 1079 E HN 0.291 nan 8.360 nan 0.000 0.495 1080 I N 1.753 122.166 120.570 -0.261 0.000 2.226 1080 I HA -0.268 3.893 4.170 -0.015 0.000 0.245 1080 I C 2.516 178.525 176.117 -0.180 0.000 1.100 1080 I CA 1.206 62.404 61.300 -0.170 0.000 1.374 1080 I CB -0.151 37.799 38.000 -0.083 0.000 1.057 1080 I HN 0.069 nan 8.210 nan 0.000 0.413 1081 A N 0.538 123.246 122.820 -0.187 0.000 1.972 1081 A HA -0.129 4.182 4.320 -0.015 0.000 0.219 1081 A C 2.223 179.699 177.584 -0.179 0.000 1.169 1081 A CA 1.261 53.209 52.037 -0.148 0.000 0.635 1081 A CB -0.796 18.129 19.000 -0.125 0.000 0.810 1081 A HN 0.428 nan 8.150 nan 0.000 0.446 1082 L N -0.054 120.972 121.223 -0.328 0.000 2.362 1082 L HA -0.019 4.312 4.340 -0.015 0.000 0.219 1082 L C 0.079 176.851 176.870 -0.163 0.000 1.134 1082 L CA -0.230 54.390 54.840 -0.366 0.000 0.807 1082 L CB -0.450 41.094 42.059 -0.858 0.000 0.927 1082 L HN 0.222 nan 8.230 nan 0.000 0.447 1083 L N 1.822 122.977 121.223 -0.112 0.000 2.477 1083 L HA 0.061 4.393 4.340 -0.015 0.000 0.272 1083 L C 0.116 177.015 176.870 0.048 0.000 1.157 1083 L CA 0.699 55.586 54.840 0.079 0.000 0.889 1083 L CB -0.200 41.905 42.059 0.078 0.000 1.158 1083 L HN 0.224 nan 8.230 nan 0.000 0.473 1084 N N 5.487 124.234 118.700 0.079 0.000 2.509 1084 N HA 0.371 5.102 4.740 -0.015 0.000 0.287 1084 N C -2.332 173.203 175.510 0.042 0.000 1.121 1084 N CA -1.464 51.616 53.050 0.050 0.000 0.977 1084 N CB 0.690 39.211 38.487 0.057 0.000 1.167 1084 N HN 0.281 nan 8.380 nan 0.000 0.476 1085 P HA 0.065 nan 4.420 nan 0.000 0.265 1085 P C 0.913 178.225 177.300 0.019 0.000 1.193 1085 P CA 0.611 63.723 63.100 0.020 0.000 0.765 1085 P CB 0.342 32.050 31.700 0.013 0.000 0.823 1086 G N 1.371 110.180 108.800 0.015 0.000 2.199 1086 G HA2 -0.231 3.720 3.960 -0.015 0.000 0.254 1086 G HA3 -0.231 3.720 3.960 -0.015 0.000 0.254 1086 G C 0.381 175.288 174.900 0.012 0.000 0.982 1086 G CA 0.170 45.276 45.100 0.010 0.000 0.632 1086 G HN 0.622 nan 8.290 nan 0.000 0.529 1087 T N 2.042 116.610 114.554 0.024 0.000 2.919 1087 T HA 0.482 4.823 4.350 -0.015 0.000 0.302 1087 T C 0.477 175.186 174.700 0.015 0.000 1.031 1087 T CA 0.958 63.073 62.100 0.025 0.000 1.127 1087 T CB 1.081 69.983 68.868 0.057 0.000 0.952 1087 T HN 0.216 nan 8.240 nan 0.000 0.540 1088 T N 4.446 118.996 114.554 -0.005 0.000 2.743 1088 T HA 0.406 4.748 4.350 -0.015 0.000 0.292 1088 T C -0.261 174.420 174.700 -0.031 0.000 0.972 1088 T CA -0.612 61.478 62.100 -0.017 0.000 0.967 1088 T CB 0.444 69.293 68.868 -0.032 0.000 0.926 1088 T HN 0.318 nan 8.240 nan 0.000 0.459 1089 L N 5.657 126.875 121.223 -0.009 0.000 2.292 1089 L HA 0.680 5.011 4.340 -0.015 0.000 0.284 1089 L C -0.927 175.916 176.870 -0.045 0.000 1.065 1089 L CA -0.281 54.551 54.840 -0.013 0.000 0.806 1089 L CB 0.982 43.068 42.059 0.045 0.000 1.175 1089 L HN 0.404 nan 8.230 nan 0.000 0.431 1090 V N 5.032 124.900 119.914 -0.078 0.000 2.409 1090 V HA 0.839 4.950 4.120 -0.015 0.000 0.290 1090 V C -0.330 175.710 176.094 -0.090 0.000 1.017 1090 V CA 0.167 62.402 62.300 -0.108 0.000 0.841 1090 V CB 0.912 32.642 31.823 -0.156 0.000 1.003 1090 V HN 1.024 nan 8.190 nan 0.000 0.426 1091 S N 3.815 119.457 115.700 -0.098 0.000 2.655 1091 S HA 0.714 5.175 4.470 -0.015 0.000 0.266 1091 S C -0.965 173.512 174.600 -0.205 0.000 1.149 1091 S CA -0.822 57.336 58.200 -0.070 0.000 0.818 1091 S CB 0.975 64.196 63.200 0.034 0.000 1.130 1091 S HN 0.198 nan 8.310 nan 0.000 0.476 1092 F N 1.265 121.188 119.950 -0.044 0.000 2.572 1092 F HA 0.394 4.959 4.527 0.063 0.000 0.370 1092 F C 1.333 177.023 175.800 -0.183 0.000 1.103 1092 F CA -0.062 57.807 58.000 -0.219 0.000 1.286 1092 F CB 0.285 39.185 39.000 -0.167 0.000 1.105 1092 F HN 0.464 nan 8.300 nan 0.000 0.583 1093 I N -0.047 120.432 120.570 -0.151 0.000 4.317 1093 I HA 0.031 4.192 4.170 -0.015 0.000 0.289 1093 I C -0.428 175.699 176.117 0.017 0.000 1.164 1093 I CA -0.097 61.164 61.300 -0.066 0.000 1.312 1093 I CB -0.654 37.272 38.000 -0.123 0.000 1.569 1093 I HN 0.773 nan 8.210 nan 0.000 0.450 1094 W N 2.428 123.708 121.300 -0.034 0.000 5.447 1094 W HA -0.143 4.464 4.660 -0.088 0.000 0.421 1094 W C -1.683 174.692 176.519 -0.241 0.000 1.665 1094 W CA -0.310 56.983 57.345 -0.088 0.000 0.941 1094 W CB -1.875 27.562 29.460 -0.038 0.000 2.889 1094 W HN 0.140 nan 8.180 nan 0.000 1.320 1095 P HA -0.281 nan 4.420 nan 0.000 0.214 1095 P C 1.686 178.541 177.300 -0.741 0.000 1.163 1095 P CA 3.017 65.671 63.100 -0.745 0.000 0.883 1095 P CB -0.217 30.555 31.700 -1.546 0.000 0.788 1096 A N -0.313 122.115 122.820 -0.655 0.000 2.042 1096 A HA -0.243 4.068 4.320 -0.015 0.000 0.222 1096 A C 1.981 179.585 177.584 0.032 0.000 1.167 1096 A CA 2.085 54.095 52.037 -0.044 0.000 0.649 1096 A CB -1.258 17.937 19.000 0.325 0.000 0.809 1096 A HN 0.269 nan 8.150 nan 0.000 0.457 1097 Q N -0.844 118.959 119.800 0.005 0.000 2.247 1097 Q HA 0.228 4.559 4.340 -0.015 0.000 0.211 1097 Q C -0.369 175.635 176.000 0.007 0.000 0.861 1097 Q CA 0.135 55.952 55.803 0.023 0.000 0.949 1097 Q CB 0.579 29.324 28.738 0.011 0.000 1.115 1097 Q HN 0.607 nan 8.270 nan 0.000 0.507 1098 N N 0.670 119.358 118.700 -0.021 0.000 2.726 1098 N HA 0.126 4.857 4.740 -0.015 0.000 0.253 1098 N C -2.402 173.087 175.510 -0.035 0.000 1.530 1098 N CA -0.796 52.245 53.050 -0.014 0.000 0.772 1098 N CB 1.573 40.064 38.487 0.006 0.000 1.220 1098 N HN 0.018 nan 8.380 nan 0.000 0.508 1099 P HA -0.070 nan 4.420 nan 0.000 0.221 1099 P C 0.712 178.024 177.300 0.020 0.000 1.150 1099 P CA 1.222 64.333 63.100 0.018 0.000 0.800 1099 P CB 0.675 32.411 31.700 0.061 0.000 0.787 1100 E N 0.587 120.797 120.200 0.016 0.000 2.031 1100 E HA -0.120 4.222 4.350 -0.015 0.000 0.193 1100 E C 2.233 178.839 176.600 0.009 0.000 0.994 1100 E CA 0.657 57.066 56.400 0.014 0.000 0.800 1100 E CB -1.369 28.338 29.700 0.012 0.000 0.752 1100 E HN 0.125 nan 8.360 nan 0.000 0.447 1101 L N 0.245 121.471 121.223 0.005 0.000 1.990 1101 L HA -0.240 4.092 4.340 -0.015 0.000 0.213 1101 L C 2.103 178.974 176.870 0.001 0.000 1.072 1101 L CA 1.527 56.369 54.840 0.004 0.000 0.755 1101 L CB -0.218 41.846 42.059 0.008 0.000 0.889 1101 L HN 0.273 nan 8.230 nan 0.000 0.432 1102 M N -0.734 118.860 119.600 -0.011 0.000 2.106 1102 M HA -0.303 4.168 4.480 -0.015 0.000 0.259 1102 M C 2.141 178.454 176.300 0.022 0.000 1.068 1102 M CA 1.758 57.055 55.300 -0.004 0.000 1.100 1102 M CB -1.182 31.409 32.600 -0.015 0.000 1.351 1102 M HN 0.439 nan 8.290 nan 0.000 0.404 1103 Q N 0.310 120.125 119.800 0.026 0.000 2.016 1103 Q HA -0.173 4.159 4.340 -0.015 0.000 0.200 1103 Q C 2.015 178.027 176.000 0.019 0.000 0.978 1103 Q CA 1.527 57.347 55.803 0.029 0.000 0.833 1103 Q CB 0.103 28.858 28.738 0.028 0.000 0.895 1103 Q HN 0.485 nan 8.270 nan 0.000 0.427 1104 K N 0.134 120.540 120.400 0.011 0.000 2.103 1104 K HA -0.152 4.159 4.320 -0.015 0.000 0.207 1104 K C 2.094 178.696 176.600 0.004 0.000 1.048 1104 K CA 1.117 57.406 56.287 0.003 0.000 0.930 1104 K CB -0.125 32.372 32.500 -0.004 0.000 0.716 1104 K HN 0.206 nan 8.250 nan 0.000 0.444 1105 L N 0.553 121.782 121.223 0.010 0.000 2.056 1105 L HA -0.157 4.174 4.340 -0.015 0.000 0.207 1105 L C 2.627 179.510 176.870 0.021 0.000 1.078 1105 L CA 1.017 55.867 54.840 0.016 0.000 0.749 1105 L CB -0.585 41.487 42.059 0.021 0.000 0.901 1105 L HN 0.213 nan 8.230 nan 0.000 0.433 1106 A N -0.003 122.833 122.820 0.026 0.000 1.917 1106 A HA -0.295 4.016 4.320 -0.015 0.000 0.219 1106 A C 2.175 179.772 177.584 0.022 0.000 1.182 1106 A CA 2.114 54.169 52.037 0.031 0.000 0.633 1106 A CB -0.529 18.495 19.000 0.040 0.000 0.819 1106 A HN 0.412 nan 8.150 nan 0.000 0.448 1107 E N 0.401 120.611 120.200 0.016 0.000 2.085 1107 E HA -0.175 4.166 4.350 -0.015 0.000 0.194 1107 E C 1.956 178.560 176.600 0.008 0.000 0.994 1107 E CA 1.268 57.674 56.400 0.010 0.000 0.801 1107 E CB -0.246 29.457 29.700 0.005 0.000 0.743 1107 E HN 0.500 nan 8.360 nan 0.000 0.453 1108 R N 0.528 121.032 120.500 0.007 0.000 2.341 1108 R HA -0.081 4.251 4.340 -0.015 0.000 0.213 1108 R C 0.616 176.924 176.300 0.013 0.000 1.082 1108 R CA 0.917 57.021 56.100 0.007 0.000 1.017 1108 R CB -1.143 29.161 30.300 0.006 0.000 0.860 1108 R HN 0.234 nan 8.270 nan 0.000 0.473 1109 N N 0.006 118.715 118.700 0.015 0.000 2.758 1109 N HA -0.145 4.587 4.740 -0.015 0.000 0.248 1109 N C -0.543 174.977 175.510 0.016 0.000 1.076 1109 N CA 0.818 53.876 53.050 0.014 0.000 0.696 1109 N CB -1.195 37.298 38.487 0.010 0.000 0.979 1109 N HN 0.188 nan 8.380 nan 0.000 0.550 1110 V N -3.537 116.391 119.914 0.022 0.000 3.093 1110 V HA 0.800 4.912 4.120 -0.015 0.000 0.320 1110 V C 0.872 176.980 176.094 0.023 0.000 1.093 1110 V CA -0.500 61.815 62.300 0.025 0.000 1.016 1110 V CB 1.871 33.717 31.823 0.039 0.000 1.096 1110 V HN 0.138 nan 8.190 nan 0.000 0.452 1111 T N 1.917 116.482 114.554 0.019 0.000 2.749 1111 T HA 0.621 4.962 4.350 -0.015 0.000 0.287 1111 T C -0.385 174.330 174.700 0.024 0.000 0.970 1111 T CA -0.171 61.942 62.100 0.021 0.000 0.980 1111 T CB 1.055 69.928 68.868 0.009 0.000 0.924 1111 T HN 0.676 nan 8.240 nan 0.000 0.456 1112 V N 5.507 125.441 119.914 0.033 0.000 2.459 1112 V HA 0.509 4.620 4.120 -0.015 0.000 0.295 1112 V C -0.127 175.975 176.094 0.014 0.000 1.029 1112 V CA -0.822 61.489 62.300 0.018 0.000 0.874 1112 V CB 1.620 33.453 31.823 0.017 0.000 0.985 1112 V HN 0.859 nan 8.190 nan 0.000 0.438 1113 M N 4.232 123.820 119.600 -0.021 0.000 2.078 1113 M HA 0.614 5.085 4.480 -0.015 0.000 0.320 1113 M C -0.135 176.105 176.300 -0.101 0.000 0.969 1113 M CA -0.460 54.813 55.300 -0.044 0.000 0.929 1113 M CB 1.848 34.416 32.600 -0.053 0.000 1.504 1113 M HN 0.663 nan 8.290 nan 0.000 0.419 1114 A N 4.508 127.256 122.820 -0.119 0.000 2.310 1114 A HA 0.412 4.723 4.320 -0.015 0.000 0.300 1114 A C 1.125 178.547 177.584 -0.270 0.000 1.269 1114 A CA -0.558 51.356 52.037 -0.204 0.000 0.909 1114 A CB 0.371 19.242 19.000 -0.215 0.000 1.144 1114 A HN 0.933 nan 8.150 nan 0.000 0.540 1115 M N 1.607 120.957 119.600 -0.417 0.000 2.267 1115 M HA -0.134 4.337 4.480 -0.015 0.000 0.263 1115 M C 1.483 177.550 176.300 -0.390 0.000 1.063 1115 M CA 1.566 56.566 55.300 -0.501 0.000 1.090 1115 M CB -1.042 31.068 32.600 -0.817 0.000 1.392 1115 M HN 0.898 nan 8.290 nan 0.000 0.422 1116 D N -1.696 118.463 120.400 -0.402 0.000 2.348 1116 D HA -0.060 4.571 4.640 -0.015 0.000 0.216 1116 D C 0.823 176.988 176.300 -0.225 0.000 0.970 1116 D CA 0.664 54.431 54.000 -0.388 0.000 0.889 1116 D CB -0.182 39.839 40.800 -1.298 0.000 0.912 1116 D HN 0.215 nan 8.370 nan 0.000 0.524 1117 S N 0.252 115.855 115.700 -0.163 0.000 2.582 1117 S HA 0.144 4.606 4.470 -0.015 0.000 0.234 1117 S C 0.421 175.009 174.600 -0.020 0.000 0.961 1117 S CA -0.482 57.695 58.200 -0.039 0.000 0.953 1117 S CB 0.679 63.876 63.200 -0.005 0.000 0.800 1117 S HN 0.099 nan 8.310 nan 0.000 0.471 1118 V N 4.479 124.368 119.914 -0.041 0.000 2.479 1118 V HA 0.142 4.254 4.120 -0.015 0.000 0.281 1118 V C -2.257 173.838 176.094 0.001 0.000 1.031 1118 V CA -1.714 60.569 62.300 -0.029 0.000 1.038 1118 V CB 0.040 31.842 31.823 -0.035 0.000 0.981 1118 V HN 0.172 nan 8.190 nan 0.000 0.478 1119 P HA 0.088 nan 4.420 nan 0.000 0.263 1119 P C 0.014 177.323 177.300 0.016 0.000 1.195 1119 P CA -0.189 62.917 63.100 0.009 0.000 0.762 1119 P CB 0.258 31.954 31.700 -0.007 0.000 0.799 1120 R N 4.040 124.557 120.500 0.030 0.000 4.860 1120 R HA 0.163 4.494 4.340 -0.015 0.000 0.191 1120 R C 0.624 176.940 176.300 0.026 0.000 1.936 1120 R CA 0.018 56.139 56.100 0.036 0.000 1.609 1120 R CB -1.456 28.875 30.300 0.051 0.000 1.392 1120 R HN 0.601 nan 8.270 nan 0.000 0.844 1121 I N -3.393 117.186 120.570 0.016 0.000 3.170 1121 I HA 0.364 4.525 4.170 -0.015 0.000 0.312 1121 I C 1.398 177.520 176.117 0.008 0.000 1.085 1121 I CA -0.765 60.542 61.300 0.011 0.000 0.999 1121 I CB 1.717 39.720 38.000 0.005 0.000 1.233 1121 I HN 0.061 nan 8.210 nan 0.000 0.467 1122 S N 2.444 118.147 115.700 0.006 0.000 2.427 1122 S HA -0.329 4.132 4.470 -0.015 0.000 0.231 1122 S C 1.800 176.401 174.600 0.002 0.000 1.045 1122 S CA 1.992 60.195 58.200 0.004 0.000 1.154 1122 S CB -1.064 62.137 63.200 0.002 0.000 1.093 1122 S HN 0.913 nan 8.310 nan 0.000 0.422 1123 R N 2.254 122.754 120.500 -0.001 0.000 2.285 1123 R HA 0.244 4.575 4.340 -0.015 0.000 0.213 1123 R C 1.859 178.156 176.300 -0.005 0.000 1.068 1123 R CA 0.996 57.094 56.100 -0.003 0.000 1.004 1123 R CB -0.477 29.820 30.300 -0.004 0.000 0.873 1123 R HN 0.505 nan 8.270 nan 0.000 0.467 1124 A N 0.383 123.200 122.820 -0.004 0.000 2.308 1124 A HA 0.109 4.421 4.320 -0.015 0.000 0.217 1124 A C 1.474 179.057 177.584 -0.003 0.000 1.216 1124 A CA -0.237 51.795 52.037 -0.007 0.000 0.864 1124 A CB 0.231 19.226 19.000 -0.008 0.000 0.902 1124 A HN 0.124 nan 8.150 nan 0.000 0.499 1125 Q N 0.615 120.417 119.800 0.003 0.000 2.167 1125 Q HA -0.124 4.207 4.340 -0.015 0.000 0.202 1125 Q C 2.335 178.339 176.000 0.007 0.000 0.970 1125 Q CA 1.800 57.609 55.803 0.011 0.000 0.855 1125 Q CB -0.523 28.223 28.738 0.014 0.000 0.911 1125 Q HN 0.782 nan 8.270 nan 0.000 0.438 1126 S N -1.060 114.638 115.700 -0.003 0.000 2.474 1126 S HA -0.082 4.379 4.470 -0.015 0.000 0.235 1126 S C 1.442 176.028 174.600 -0.022 0.000 0.997 1126 S CA 0.632 58.827 58.200 -0.010 0.000 0.949 1126 S CB -0.023 63.169 63.200 -0.013 0.000 0.766 1126 S HN 0.257 nan 8.310 nan 0.000 0.517 1127 L N 1.102 122.310 121.223 -0.026 0.000 2.616 1127 L HA 0.397 4.728 4.340 -0.015 0.000 0.229 1127 L C 0.562 177.412 176.870 -0.033 0.000 1.110 1127 L CA 0.202 55.013 54.840 -0.048 0.000 0.884 1127 L CB 0.002 42.029 42.059 -0.053 0.000 1.115 1127 L HN 0.168 nan 8.230 nan 0.000 0.481 1128 D N 0.772 121.175 120.400 0.004 0.000 2.416 1128 D HA 0.163 4.794 4.640 -0.015 0.000 0.240 1128 D C 1.233 177.587 176.300 0.090 0.000 1.250 1128 D CA 0.360 54.383 54.000 0.038 0.000 0.967 1128 D CB 1.293 42.120 40.800 0.046 0.000 1.059 1128 D HN 0.187 nan 8.370 nan 0.000 0.512 1129 A N 4.272 127.162 122.820 0.117 0.000 1.969 1129 A HA -0.121 4.190 4.320 -0.015 0.000 0.218 1129 A C 2.309 180.103 177.584 0.351 0.000 1.169 1129 A CA 0.701 52.904 52.037 0.277 0.000 0.635 1129 A CB -0.281 18.912 19.000 0.322 0.000 0.810 1129 A HN 0.673 nan 8.150 nan 0.000 0.445 1130 L N -0.583 120.819 121.223 0.300 0.000 2.131 1130 L HA -0.150 4.181 4.340 -0.015 0.000 0.210 1130 L C 2.768 179.743 176.870 0.176 0.000 1.092 1130 L CA 1.325 56.321 54.840 0.260 0.000 0.759 1130 L CB -0.413 41.788 42.059 0.237 0.000 0.903 1130 L HN 0.321 nan 8.230 nan 0.000 0.435 1131 S N -0.754 115.032 115.700 0.143 0.000 2.345 1131 S HA -0.132 4.329 4.470 -0.015 0.000 0.219 1131 S C 2.220 176.884 174.600 0.107 0.000 1.031 1131 S CA 1.296 59.560 58.200 0.107 0.000 0.984 1131 S CB -0.038 63.210 63.200 0.081 0.000 0.874 1131 S HN 0.316 nan 8.310 nan 0.000 0.451 1132 S N 1.650 117.423 115.700 0.122 0.000 2.372 1132 S HA -0.122 4.339 4.470 -0.015 0.000 0.227 1132 S C 1.942 176.617 174.600 0.125 0.000 1.044 1132 S CA 1.334 59.607 58.200 0.122 0.000 1.050 1132 S CB -0.340 62.955 63.200 0.157 0.000 0.901 1132 S HN 0.340 nan 8.310 nan 0.000 0.447 1133 M N 0.862 120.552 119.600 0.150 0.000 2.200 1133 M HA 0.094 4.565 4.480 -0.015 0.000 0.265 1133 M C 2.512 178.864 176.300 0.087 0.000 1.066 1133 M CA 1.207 56.575 55.300 0.113 0.000 1.127 1133 M CB -1.762 30.897 32.600 0.098 0.000 1.379 1133 M HN 0.365 nan 8.290 nan 0.000 0.420 1134 A N 0.764 123.640 122.820 0.093 0.000 1.902 1134 A HA -0.205 4.106 4.320 -0.015 0.000 0.217 1134 A C 2.136 179.768 177.584 0.080 0.000 1.181 1134 A CA 2.011 54.096 52.037 0.079 0.000 0.623 1134 A CB -1.105 17.943 19.000 0.080 0.000 0.818 1134 A HN 0.617 nan 8.150 nan 0.000 0.443 1135 N N 0.006 118.755 118.700 0.082 0.000 2.069 1135 N HA -0.153 4.579 4.740 -0.015 0.000 0.191 1135 N C 1.832 177.400 175.510 0.098 0.000 1.031 1135 N CA 1.787 54.885 53.050 0.080 0.000 0.852 1135 N CB -0.212 38.313 38.487 0.064 0.000 1.018 1135 N HN 0.533 nan 8.380 nan 0.000 0.423 1136 I N 1.310 121.933 120.570 0.089 0.000 2.163 1136 I HA -0.270 3.891 4.170 -0.015 0.000 0.243 1136 I C 2.569 178.778 176.117 0.154 0.000 1.085 1136 I CA 1.213 62.577 61.300 0.106 0.000 1.347 1136 I CB -0.373 37.675 38.000 0.079 0.000 1.044 1136 I HN 0.179 nan 8.210 nan 0.000 0.408 1137 A N 0.846 123.731 122.820 0.107 0.000 1.883 1137 A HA -0.179 4.132 4.320 -0.015 0.000 0.217 1137 A C 2.436 180.072 177.584 0.087 0.000 1.186 1137 A CA 2.048 54.138 52.037 0.087 0.000 0.624 1137 A CB -1.542 17.494 19.000 0.060 0.000 0.822 1137 A HN 0.481 nan 8.150 nan 0.000 0.444 1138 G N -1.519 107.337 108.800 0.092 0.000 2.446 1138 G HA2 -0.325 3.626 3.960 -0.015 0.000 0.217 1138 G HA3 -0.325 3.626 3.960 -0.015 0.000 0.217 1138 G C 1.581 176.535 174.900 0.090 0.000 1.168 1138 G CA 1.405 46.554 45.100 0.082 0.000 0.771 1138 G HN 0.670 nan 8.290 nan 0.000 0.551 1139 Y N 1.419 121.728 120.300 0.015 0.000 2.145 1139 Y HA -0.106 4.427 4.550 -0.028 0.000 0.286 1139 Y C 2.929 178.827 175.900 -0.004 0.000 1.145 1139 Y CA 2.224 60.325 58.100 0.003 0.000 1.148 1139 Y CB -0.164 38.299 38.460 0.005 0.000 0.981 1139 Y HN 0.150 nan 8.280 nan 0.000 0.507 1140 R N 1.158 121.710 120.500 0.086 0.000 2.092 1140 R HA -0.074 4.258 4.340 -0.015 0.000 0.231 1140 R C 2.317 178.569 176.300 -0.079 0.000 1.119 1140 R CA 1.455 57.544 56.100 -0.018 0.000 0.970 1140 R CB -1.161 29.201 30.300 0.102 0.000 0.864 1140 R HN 0.474 nan 8.270 nan 0.000 0.440 1141 A N 0.953 123.755 122.820 -0.029 0.000 1.903 1141 A HA -0.189 4.123 4.320 -0.015 0.000 0.219 1141 A C 2.049 179.593 177.584 -0.067 0.000 1.191 1141 A CA 1.859 53.885 52.037 -0.018 0.000 0.638 1141 A CB -0.636 18.366 19.000 0.003 0.000 0.823 1141 A HN 0.318 nan 8.150 nan 0.000 0.451 1142 I N -0.313 120.168 120.570 -0.148 0.000 2.439 1142 I HA -0.132 4.030 4.170 -0.015 0.000 0.251 1142 I C 2.430 178.361 176.117 -0.310 0.000 1.139 1142 I CA 0.942 62.115 61.300 -0.212 0.000 1.438 1142 I CB -1.171 36.679 38.000 -0.251 0.000 1.085 1142 I HN 0.142 nan 8.210 nan 0.000 0.427 1143 V N 0.922 120.627 119.914 -0.348 0.000 2.407 1143 V HA -0.207 3.904 4.120 -0.015 0.000 0.248 1143 V C 2.544 178.587 176.094 -0.086 0.000 1.055 1143 V CA 1.527 63.668 62.300 -0.265 0.000 1.049 1143 V CB -0.517 31.137 31.823 -0.281 0.000 0.662 1143 V HN 0.372 nan 8.190 nan 0.000 0.455 1144 E N 0.329 120.506 120.200 -0.040 0.000 2.072 1144 E HA -0.138 4.203 4.350 -0.015 0.000 0.191 1144 E C 2.392 179.058 176.600 0.109 0.000 0.985 1144 E CA 1.395 57.839 56.400 0.073 0.000 0.801 1144 E CB -0.465 29.300 29.700 0.109 0.000 0.750 1144 E HN 0.565 nan 8.360 nan 0.000 0.452 1145 A N 1.826 124.680 122.820 0.058 0.000 1.883 1145 A HA -0.135 4.177 4.320 -0.015 0.000 0.217 1145 A C 2.469 180.180 177.584 0.211 0.000 1.186 1145 A CA 2.282 54.386 52.037 0.112 0.000 0.624 1145 A CB -0.712 18.357 19.000 0.116 0.000 0.822 1145 A HN 0.274 nan 8.150 nan 0.000 0.444 1146 A N -1.516 121.351 122.820 0.078 0.000 1.908 1146 A HA -0.245 4.066 4.320 -0.015 0.000 0.218 1146 A C 2.140 179.848 177.584 0.208 0.000 1.181 1146 A CA 1.776 53.884 52.037 0.119 0.000 0.627 1146 A CB -1.031 17.836 19.000 -0.221 0.000 0.818 1146 A HN 0.751 nan 8.150 nan 0.000 0.445 1147 H N -0.883 118.228 119.070 0.069 0.000 2.387 1147 H HA -0.099 4.450 4.556 -0.012 0.000 0.299 1147 H C 1.592 176.984 175.328 0.108 0.000 1.099 1147 H CA 1.759 57.853 56.048 0.076 0.000 1.315 1147 H CB 0.228 30.021 29.762 0.052 0.000 1.380 1147 H HN 0.389 nan 8.280 nan 0.000 0.513 1148 E N -0.060 120.239 120.200 0.164 0.000 2.250 1148 E HA -0.030 4.311 4.350 -0.015 0.000 0.192 1148 E C 0.110 176.813 176.600 0.171 0.000 0.986 1148 E CA -0.221 56.250 56.400 0.119 0.000 0.849 1148 E CB -0.315 29.468 29.700 0.138 0.000 0.797 1148 E HN 0.150 nan 8.360 nan 0.000 0.482 1149 F N 0.934 120.919 119.950 0.057 0.000 2.529 1149 F HA 0.268 4.788 4.527 -0.013 0.000 0.365 1149 F C 1.563 177.366 175.800 0.005 0.000 1.102 1149 F CA -0.008 58.026 58.000 0.057 0.000 1.271 1149 F CB 1.187 40.295 39.000 0.180 0.000 1.120 1149 F HN -0.085 nan 8.300 nan 0.000 0.579 1150 G N 5.373 113.942 108.800 -0.385 0.000 3.088 1150 G HA2 0.131 4.082 3.960 -0.015 0.000 0.217 1150 G HA3 0.131 4.082 3.960 -0.015 0.000 0.217 1150 G C 0.529 175.075 174.900 -0.589 0.000 1.159 1150 G CA -0.260 44.603 45.100 -0.395 0.000 0.760 1150 G HN 0.494 nan 8.290 nan 0.000 0.550 1151 R N -0.918 118.956 120.500 -1.043 0.000 2.892 1151 R HA 0.491 4.822 4.340 -0.015 0.000 0.265 1151 R C -0.871 175.238 176.300 -0.319 0.000 1.025 1151 R CA -0.961 54.664 56.100 -0.791 0.000 0.982 1151 R CB 1.255 30.980 30.300 -0.958 0.000 1.185 1151 R HN 0.034 nan 8.270 nan 0.000 0.484 1152 F N 1.263 121.169 119.950 -0.073 0.000 2.629 1152 F HA -0.048 4.469 4.527 -0.016 0.000 0.377 1152 F C 1.393 177.352 175.800 0.265 0.000 1.101 1152 F CA 0.152 58.217 58.000 0.107 0.000 1.301 1152 F CB -0.012 39.028 39.000 0.067 0.000 1.062 1152 F HN 0.508 nan 8.300 nan 0.000 0.583 1153 F N 0.646 120.831 119.950 0.392 0.000 2.234 1153 F HA -0.032 4.487 4.527 -0.013 0.000 0.296 1153 F C 1.435 177.342 175.800 0.179 0.000 1.089 1153 F CA 1.005 59.174 58.000 0.283 0.000 1.343 1153 F CB -0.055 39.051 39.000 0.176 0.000 1.040 1153 F HN 0.195 nan 8.300 nan 0.000 0.498 1154 T N 0.630 115.367 114.554 0.306 0.000 2.749 1154 T HA 0.459 4.801 4.350 -0.015 0.000 0.287 1154 T C 0.497 175.229 174.700 0.054 0.000 0.970 1154 T CA -0.464 61.714 62.100 0.130 0.000 0.980 1154 T CB 0.868 69.754 68.868 0.031 0.000 0.924 1154 T HN 0.249 nan 8.240 nan 0.000 0.456 1155 G N 2.943 111.777 108.800 0.057 0.000 2.484 1155 G HA2 0.429 4.381 3.960 -0.015 0.000 0.235 1155 G HA3 0.429 4.381 3.960 -0.015 0.000 0.235 1155 G C -0.349 174.539 174.900 -0.019 0.000 1.282 1155 G CA -0.235 44.889 45.100 0.040 0.000 0.857 1155 G HN 0.824 nan 8.290 nan 0.000 0.571 1156 Q N -0.522 119.272 119.800 -0.009 0.000 2.633 1156 Q HA 0.559 4.890 4.340 -0.015 0.000 0.289 1156 Q C -1.635 174.369 176.000 0.006 0.000 0.940 1156 Q CA -1.093 54.684 55.803 -0.042 0.000 0.785 1156 Q CB 1.717 30.364 28.738 -0.151 0.000 1.467 1156 Q HN 0.656 nan 8.270 nan 0.000 0.401 1157 I N 1.272 121.842 120.570 -0.001 0.000 2.418 1157 I HA 0.601 4.763 4.170 -0.015 0.000 0.287 1157 I C -0.971 175.157 176.117 0.018 0.000 1.008 1157 I CA 0.048 61.358 61.300 0.017 0.000 1.104 1157 I CB 2.103 40.111 38.000 0.013 0.000 1.264 1157 I HN 0.840 nan 8.210 nan 0.000 0.438 1158 T N 3.544 118.120 114.554 0.038 0.000 2.950 1158 T HA 0.709 5.051 4.350 -0.015 0.000 0.288 1158 T C 1.038 175.757 174.700 0.031 0.000 1.035 1158 T CA -0.247 61.878 62.100 0.041 0.000 1.028 1158 T CB 1.622 70.535 68.868 0.076 0.000 1.109 1158 T HN 0.703 nan 8.240 nan 0.000 0.514 1159 A N 0.549 123.385 122.820 0.026 0.000 2.070 1159 A HA 0.322 4.633 4.320 -0.015 0.000 0.220 1159 A C 2.212 179.809 177.584 0.021 0.000 1.159 1159 A CA 1.269 53.318 52.037 0.020 0.000 0.656 1159 A CB -1.222 17.788 19.000 0.016 0.000 0.800 1159 A HN 1.285 nan 8.150 nan 0.000 0.453 1160 A N -1.045 121.792 122.820 0.028 0.000 2.327 1160 A HA 0.497 4.809 4.320 -0.015 0.000 0.228 1160 A C 1.142 178.743 177.584 0.028 0.000 1.275 1160 A CA 0.976 53.027 52.037 0.024 0.000 0.875 1160 A CB -1.210 17.805 19.000 0.025 0.000 0.925 1160 A HN 2.001 nan 8.150 nan 0.000 0.493 1161 G N -0.695 108.125 108.800 0.032 0.000 2.462 1161 G HA2 0.003 3.954 3.960 -0.015 0.000 0.685 1161 G HA3 0.003 3.954 3.960 -0.015 0.000 0.685 1161 G C -0.591 174.335 174.900 0.043 0.000 1.295 1161 G CA -0.405 44.714 45.100 0.030 0.000 0.941 1161 G HN 0.452 nan 8.290 nan 0.000 0.554 1162 K N -0.132 120.291 120.400 0.038 0.000 2.211 1162 K HA 0.616 4.927 4.320 -0.015 0.000 0.275 1162 K C -0.342 176.293 176.600 0.058 0.000 1.024 1162 K CA -0.622 55.691 56.287 0.043 0.000 0.887 1162 K CB 1.324 33.842 32.500 0.030 0.000 1.084 1162 K HN 0.474 nan 8.250 nan 0.000 0.463 1163 V N 7.167 127.132 119.914 0.086 0.000 2.398 1163 V HA 0.329 4.440 4.120 -0.015 0.000 0.286 1163 V C -1.970 174.181 176.094 0.094 0.000 1.026 1163 V CA -1.875 60.494 62.300 0.115 0.000 0.868 1163 V CB 1.258 33.231 31.823 0.250 0.000 0.982 1163 V HN 0.839 nan 8.190 nan 0.000 0.443 1164 P HA 0.318 nan 4.420 nan 0.000 0.274 1164 P C -2.735 174.610 177.300 0.075 0.000 1.237 1164 P CA -1.647 61.488 63.100 0.058 0.000 0.793 1164 P CB 0.131 31.855 31.700 0.039 0.000 0.977 1165 P HA 0.110 nan 4.420 nan 0.000 0.272 1165 P C -0.266 177.047 177.300 0.021 0.000 1.230 1165 P CA -0.094 63.039 63.100 0.055 0.000 0.788 1165 P CB 0.200 31.924 31.700 0.042 0.000 0.949 1166 A N 2.612 125.411 122.820 -0.034 0.000 2.425 1166 A HA 0.214 4.525 4.320 -0.015 0.000 0.242 1166 A C 0.207 177.682 177.584 -0.182 0.000 1.077 1166 A CA 0.003 51.934 52.037 -0.178 0.000 0.781 1166 A CB -0.215 18.415 19.000 -0.617 0.000 1.020 1166 A HN 0.462 nan 8.150 nan 0.000 0.494 1167 K N 0.839 121.132 120.400 -0.180 0.000 2.274 1167 K HA 0.554 4.865 4.320 -0.015 0.000 0.262 1167 K C -1.461 175.039 176.600 -0.165 0.000 0.961 1167 K CA -0.462 55.752 56.287 -0.121 0.000 0.833 1167 K CB 2.005 34.464 32.500 -0.068 0.000 1.102 1167 K HN 0.385 nan 8.250 nan 0.000 0.436 1168 V N 4.290 124.140 119.914 -0.106 0.000 2.487 1168 V HA 0.375 4.486 4.120 -0.015 0.000 0.298 1168 V C -0.448 175.626 176.094 -0.034 0.000 1.028 1168 V CA -0.803 61.446 62.300 -0.085 0.000 0.860 1168 V CB 1.612 33.422 31.823 -0.023 0.000 0.991 1168 V HN 0.794 nan 8.190 nan 0.000 0.427 1169 M N 5.513 125.088 119.600 -0.042 0.000 2.205 1169 M HA 0.618 5.089 4.480 -0.015 0.000 0.344 1169 M C -1.463 174.823 176.300 -0.024 0.000 1.085 1169 M CA -0.477 54.810 55.300 -0.022 0.000 1.001 1169 M CB 1.495 34.073 32.600 -0.036 0.000 1.626 1169 M HN 0.460 nan 8.290 nan 0.000 0.442 1170 V N 7.015 126.935 119.914 0.010 0.000 2.357 1170 V HA 0.399 4.510 4.120 -0.015 0.000 0.284 1170 V C -0.105 175.999 176.094 0.017 0.000 1.018 1170 V CA -0.551 61.755 62.300 0.010 0.000 0.841 1170 V CB 1.282 33.129 31.823 0.040 0.000 0.991 1170 V HN 0.763 nan 8.190 nan 0.000 0.437 1171 I N 4.806 125.351 120.570 -0.041 0.000 2.312 1171 I HA 0.642 4.803 4.170 -0.015 0.000 0.291 1171 I C 0.838 176.965 176.117 0.015 0.000 1.031 1171 I CA 0.082 61.365 61.300 -0.029 0.000 1.293 1171 I CB 0.981 38.835 38.000 -0.244 0.000 1.403 1171 I HN 0.874 nan 8.210 nan 0.000 0.484 1172 G N 4.639 113.469 108.800 0.050 0.000 3.338 1172 G HA2 0.075 4.027 3.960 -0.015 0.000 0.686 1172 G HA3 0.075 4.027 3.960 -0.015 0.000 0.686 1172 G C -0.274 174.652 174.900 0.042 0.000 1.053 1172 G CA -0.323 44.796 45.100 0.031 0.000 0.852 1172 G HN 0.957 nan 8.290 nan 0.000 0.545 1173 A N 2.089 124.937 122.820 0.047 0.000 2.827 1173 A HA 0.790 5.101 4.320 -0.015 0.000 0.300 1173 A C 1.438 179.048 177.584 0.044 0.000 1.237 1173 A CA 1.096 53.170 52.037 0.061 0.000 0.964 1173 A CB -0.182 18.878 19.000 0.099 0.000 1.143 1173 A HN 2.116 nan 8.150 nan 0.000 0.554 1174 G N -0.749 108.074 108.800 0.038 0.000 2.485 1174 G HA2 0.317 4.269 3.960 -0.015 0.000 0.260 1174 G HA3 0.317 4.269 3.960 -0.015 0.000 0.260 1174 G C 1.179 176.106 174.900 0.044 0.000 1.459 1174 G CA 0.398 45.521 45.100 0.038 0.000 1.060 1174 G HN 0.195 nan 8.290 nan 0.000 0.546 1175 V N 1.012 120.956 119.914 0.049 0.000 2.255 1175 V HA -0.208 3.903 4.120 -0.015 0.000 0.247 1175 V C 3.367 179.495 176.094 0.058 0.000 1.051 1175 V CA 2.694 65.026 62.300 0.054 0.000 1.018 1175 V CB -1.261 30.599 31.823 0.061 0.000 0.641 1175 V HN 0.761 nan 8.190 nan 0.000 0.445 1176 A N 0.468 123.323 122.820 0.057 0.000 1.877 1176 A HA -0.090 4.221 4.320 -0.015 0.000 0.216 1176 A C 2.428 180.045 177.584 0.054 0.000 1.186 1176 A CA 2.043 54.115 52.037 0.058 0.000 0.620 1176 A CB -1.315 17.715 19.000 0.050 0.000 0.822 1176 A HN 0.546 nan 8.150 nan 0.000 0.443 1177 G N -0.204 108.625 108.800 0.048 0.000 2.418 1177 G HA2 -0.154 3.797 3.960 -0.015 0.000 0.217 1177 G HA3 -0.154 3.797 3.960 -0.015 0.000 0.217 1177 G C 1.558 176.492 174.900 0.057 0.000 1.158 1177 G CA 1.042 46.170 45.100 0.048 0.000 0.771 1177 G HN 0.431 nan 8.290 nan 0.000 0.545 1178 L N 0.709 121.966 121.223 0.057 0.000 2.083 1178 L HA -0.048 4.283 4.340 -0.015 0.000 0.209 1178 L C 3.414 180.323 176.870 0.065 0.000 1.083 1178 L CA 0.949 55.824 54.840 0.059 0.000 0.752 1178 L CB -0.425 41.664 42.059 0.049 0.000 0.899 1178 L HN 0.300 nan 8.230 nan 0.000 0.433 1179 A N 0.199 123.062 122.820 0.071 0.000 1.883 1179 A HA -0.212 4.100 4.320 -0.015 0.000 0.217 1179 A C 2.561 180.201 177.584 0.093 0.000 1.186 1179 A CA 1.897 53.989 52.037 0.092 0.000 0.624 1179 A CB -0.772 18.291 19.000 0.105 0.000 0.822 1179 A HN 0.402 nan 8.150 nan 0.000 0.444 1180 A N -0.026 122.836 122.820 0.071 0.000 1.883 1180 A HA -0.125 4.186 4.320 -0.015 0.000 0.217 1180 A C 2.115 179.734 177.584 0.057 0.000 1.186 1180 A CA 1.612 53.679 52.037 0.050 0.000 0.624 1180 A CB -0.721 18.302 19.000 0.039 0.000 0.822 1180 A HN 0.497 nan 8.150 nan 0.000 0.444 1181 I N -0.149 120.460 120.570 0.064 0.000 2.145 1181 I HA -0.301 3.861 4.170 -0.015 0.000 0.244 1181 I C 2.689 178.850 176.117 0.072 0.000 1.075 1181 I CA 1.460 62.803 61.300 0.071 0.000 1.332 1181 I CB -0.616 37.428 38.000 0.074 0.000 1.033 1181 I HN 0.411 nan 8.210 nan 0.000 0.410 1182 G N 0.007 108.851 108.800 0.073 0.000 2.421 1182 G HA2 -0.212 3.739 3.960 -0.015 0.000 0.216 1182 G HA3 -0.212 3.739 3.960 -0.015 0.000 0.216 1182 G C 1.824 176.772 174.900 0.080 0.000 1.171 1182 G CA 0.781 45.926 45.100 0.075 0.000 0.775 1182 G HN 0.513 nan 8.290 nan 0.000 0.543 1183 A N 0.921 123.789 122.820 0.081 0.000 1.969 1183 A HA 0.361 4.672 4.320 -0.015 0.000 0.218 1183 A C 2.731 180.321 177.584 0.009 0.000 1.169 1183 A CA 2.060 54.123 52.037 0.044 0.000 0.635 1183 A CB -0.549 18.432 19.000 -0.032 0.000 0.810 1183 A HN 0.708 nan 8.150 nan 0.000 0.445 1184 A N -0.233 122.618 122.820 0.052 0.000 1.929 1184 A HA -0.124 4.187 4.320 -0.015 0.000 0.216 1184 A C 2.045 179.712 177.584 0.140 0.000 1.176 1184 A CA 1.398 53.517 52.037 0.137 0.000 0.628 1184 A CB -0.575 18.532 19.000 0.179 0.000 0.816 1184 A HN 0.599 nan 8.150 nan 0.000 0.444 1185 N N 0.454 119.212 118.700 0.097 0.000 2.142 1185 N HA -0.169 4.563 4.740 -0.015 0.000 0.186 1185 N C 2.135 177.691 175.510 0.076 0.000 1.023 1185 N CA 1.782 54.883 53.050 0.085 0.000 0.852 1185 N CB -0.077 38.452 38.487 0.070 0.000 0.998 1185 N HN 0.544 nan 8.380 nan 0.000 0.424 1186 S N 1.036 116.776 115.700 0.067 0.000 2.374 1186 S HA -0.135 4.326 4.470 -0.015 0.000 0.227 1186 S C 1.995 176.628 174.600 0.055 0.000 1.037 1186 S CA 0.901 59.135 58.200 0.056 0.000 1.024 1186 S CB -0.710 62.525 63.200 0.059 0.000 0.861 1186 S HN 0.354 nan 8.310 nan 0.000 0.456 1187 L N 1.168 122.429 121.223 0.064 0.000 2.610 1187 L HA 0.236 4.568 4.340 -0.015 0.000 0.232 1187 L C 1.853 178.817 176.870 0.156 0.000 1.149 1187 L CA 0.420 55.313 54.840 0.089 0.000 0.872 1187 L CB -0.618 41.466 42.059 0.041 0.000 0.992 1187 L HN 0.712 nan 8.230 nan 0.000 0.447 1188 G N -0.377 108.497 108.800 0.124 0.000 2.143 1188 G HA2 -0.275 3.676 3.960 -0.015 0.000 0.249 1188 G HA3 -0.275 3.676 3.960 -0.015 0.000 0.249 1188 G C 0.424 175.392 174.900 0.113 0.000 0.981 1188 G CA 0.047 45.209 45.100 0.103 0.000 0.665 1188 G HN 0.512 nan 8.290 nan 0.000 0.528 1189 A N -0.398 122.513 122.820 0.152 0.000 2.406 1189 A HA 0.657 4.968 4.320 -0.015 0.000 0.243 1189 A C 0.700 178.315 177.584 0.053 0.000 1.082 1189 A CA 0.049 52.139 52.037 0.089 0.000 0.786 1189 A CB 0.319 19.378 19.000 0.099 0.000 1.029 1189 A HN 0.823 nan 8.150 nan 0.000 0.495 1190 I N 1.831 122.412 120.570 0.019 0.000 2.363 1190 I HA 0.173 4.334 4.170 -0.015 0.000 0.292 1190 I C -0.598 175.528 176.117 0.016 0.000 1.075 1190 I CA 0.047 61.359 61.300 0.020 0.000 1.333 1190 I CB 0.685 38.691 38.000 0.009 0.000 1.415 1190 I HN 0.241 nan 8.210 nan 0.000 0.502 1191 V N 7.515 127.452 119.914 0.038 0.000 2.459 1191 V HA 0.504 4.615 4.120 -0.015 0.000 0.295 1191 V C 0.062 176.189 176.094 0.054 0.000 1.029 1191 V CA -0.708 61.620 62.300 0.046 0.000 0.874 1191 V CB 1.630 33.492 31.823 0.066 0.000 0.985 1191 V HN 0.670 nan 8.190 nan 0.000 0.438 1192 R N 2.545 123.075 120.500 0.050 0.000 2.750 1192 R HA 0.899 5.230 4.340 -0.015 0.000 0.281 1192 R C -0.851 175.498 176.300 0.081 0.000 0.972 1192 R CA -0.570 55.569 56.100 0.065 0.000 0.912 1192 R CB 2.367 32.693 30.300 0.043 0.000 1.187 1192 R HN 0.839 nan 8.270 nan 0.000 0.464 1193 A N 2.252 125.140 122.820 0.114 0.000 2.427 1193 A HA 0.613 4.925 4.320 -0.015 0.000 0.298 1193 A C -1.791 175.874 177.584 0.135 0.000 1.036 1193 A CA -0.541 51.581 52.037 0.141 0.000 0.701 1193 A CB 1.071 20.182 19.000 0.185 0.000 1.250 1193 A HN 0.598 nan 8.150 nan 0.000 0.412 1194 F N 2.127 122.069 119.950 -0.013 0.000 2.495 1194 F HA 0.707 5.226 4.527 -0.014 0.000 0.327 1194 F C -0.624 175.214 175.800 0.063 0.000 1.103 1194 F CA -0.616 57.340 58.000 -0.073 0.000 0.949 1194 F CB 1.583 40.628 39.000 0.075 0.000 1.142 1194 F HN 0.583 nan 8.300 nan 0.000 0.457 1195 D N 2.727 122.561 120.400 -0.943 0.000 2.947 1195 D HA 0.109 4.740 4.640 -0.015 0.000 0.224 1195 D C 0.490 176.256 176.300 -0.890 0.000 1.230 1195 D CA -0.048 53.576 54.000 -0.628 0.000 0.871 1195 D CB 2.495 43.261 40.800 -0.056 0.000 1.671 1195 D HN 0.698 nan 8.370 nan 0.000 0.507 1196 T N 0.671 114.911 114.554 -0.524 0.000 3.007 1196 T HA -0.004 4.338 4.350 -0.015 0.000 0.270 1196 T C 0.860 175.549 174.700 -0.019 0.000 1.107 1196 T CA 0.541 62.570 62.100 -0.119 0.000 1.118 1196 T CB 0.030 68.930 68.868 0.053 0.000 0.889 1196 T HN 0.213 nan 8.240 nan 0.000 0.506 1197 R N 2.448 122.933 120.500 -0.025 0.000 2.196 1197 R HA 0.267 4.598 4.340 -0.015 0.000 0.340 1197 R C -1.640 174.710 176.300 0.084 0.000 1.043 1197 R CA -1.983 54.131 56.100 0.023 0.000 0.883 1197 R CB 0.862 31.164 30.300 0.003 0.000 1.078 1197 R HN 0.225 nan 8.270 nan 0.000 0.462 1198 P HA -0.158 nan 4.420 nan 0.000 0.222 1198 P C 0.014 177.276 177.300 -0.063 0.000 1.147 1198 P CA 1.112 64.275 63.100 0.105 0.000 0.790 1198 P CB 0.429 32.200 31.700 0.118 0.000 0.780 1199 E N 0.494 120.666 120.200 -0.047 0.000 2.160 1199 E HA -0.133 4.209 4.350 -0.015 0.000 0.195 1199 E C 1.918 178.434 176.600 -0.139 0.000 0.991 1199 E CA 1.361 57.717 56.400 -0.074 0.000 0.810 1199 E CB -1.224 28.455 29.700 -0.036 0.000 0.742 1199 E HN 0.276 nan 8.360 nan 0.000 0.466 1200 V N -0.456 119.357 119.914 -0.168 0.000 3.510 1200 V HA -0.013 4.098 4.120 -0.015 0.000 0.270 1200 V C 1.962 177.796 176.094 -0.434 0.000 1.201 1200 V CA 1.165 63.344 62.300 -0.202 0.000 1.166 1200 V CB -0.419 31.350 31.823 -0.090 0.000 0.825 1200 V HN 0.132 nan 8.190 nan 0.000 0.484 1201 K N 1.014 120.961 120.400 -0.755 0.000 2.044 1201 K HA -0.266 4.046 4.320 -0.015 0.000 0.210 1201 K C 1.983 178.289 176.600 -0.490 0.000 1.049 1201 K CA 2.458 58.034 56.287 -1.185 0.000 0.927 1201 K CB -0.122 31.779 32.500 -0.999 0.000 0.713 1201 K HN 0.548 nan 8.250 nan 0.000 0.443 1202 E N 0.466 120.498 120.200 -0.280 0.000 2.152 1202 E HA -0.148 4.193 4.350 -0.015 0.000 0.192 1202 E C 2.011 178.553 176.600 -0.097 0.000 0.983 1202 E CA 0.961 57.277 56.400 -0.140 0.000 0.818 1202 E CB 0.018 29.661 29.700 -0.095 0.000 0.758 1202 E HN 0.384 nan 8.360 nan 0.000 0.467 1203 Q N 0.144 119.880 119.800 -0.108 0.000 1.993 1203 Q HA -0.151 4.180 4.340 -0.015 0.000 0.202 1203 Q C 2.098 178.079 176.000 -0.031 0.000 0.984 1203 Q CA 1.622 57.391 55.803 -0.057 0.000 0.837 1203 Q CB -0.005 28.701 28.738 -0.053 0.000 0.902 1203 Q HN 0.160 nan 8.270 nan 0.000 0.423 1204 V N 1.029 120.917 119.914 -0.043 0.000 2.252 1204 V HA -0.345 3.766 4.120 -0.015 0.000 0.249 1204 V C 2.289 178.410 176.094 0.045 0.000 1.056 1204 V CA 2.278 64.599 62.300 0.035 0.000 1.022 1204 V CB -0.663 31.233 31.823 0.123 0.000 0.641 1204 V HN 0.475 nan 8.190 nan 0.000 0.445 1205 Q N 0.144 119.954 119.800 0.016 0.000 2.124 1205 Q HA -0.190 4.142 4.340 -0.015 0.000 0.202 1205 Q C 2.438 178.454 176.000 0.027 0.000 0.977 1205 Q CA 1.964 57.788 55.803 0.035 0.000 0.850 1205 Q CB -0.304 28.445 28.738 0.018 0.000 0.901 1205 Q HN 0.842 nan 8.270 nan 0.000 0.429 1206 S N 0.104 115.810 115.700 0.010 0.000 2.423 1206 S HA -0.078 4.383 4.470 -0.015 0.000 0.231 1206 S C 1.769 176.382 174.600 0.023 0.000 1.014 1206 S CA 0.830 59.037 58.200 0.012 0.000 0.965 1206 S CB -0.160 63.041 63.200 0.002 0.000 0.785 1206 S HN 0.294 nan 8.310 nan 0.000 0.495 1207 M N 0.901 120.519 119.600 0.030 0.000 2.561 1207 M HA 0.288 4.759 4.480 -0.015 0.000 0.238 1207 M C 1.576 177.904 176.300 0.048 0.000 1.131 1207 M CA 0.595 55.918 55.300 0.040 0.000 1.046 1207 M CB 0.131 32.758 32.600 0.045 0.000 1.532 1207 M HN 0.628 nan 8.290 nan 0.000 0.497 1208 G N 0.432 109.261 108.800 0.048 0.000 2.179 1208 G HA2 -0.143 3.808 3.960 -0.015 0.000 0.220 1208 G HA3 -0.143 3.808 3.960 -0.015 0.000 0.220 1208 G C 0.096 175.033 174.900 0.062 0.000 0.990 1208 G CA -0.117 45.013 45.100 0.051 0.000 0.646 1208 G HN 0.640 nan 8.290 nan 0.000 0.517 1209 A N 0.146 123.011 122.820 0.075 0.000 2.304 1209 A HA 0.708 5.019 4.320 -0.015 0.000 0.301 1209 A C 0.315 177.968 177.584 0.116 0.000 1.132 1209 A CA 0.144 52.237 52.037 0.093 0.000 0.819 1209 A CB 0.687 19.750 19.000 0.106 0.000 1.094 1209 A HN 0.486 nan 8.150 nan 0.000 0.492 1210 E N 1.256 121.523 120.200 0.112 0.000 2.290 1210 E HA 0.196 4.537 4.350 -0.015 0.000 0.277 1210 E C -1.347 175.371 176.600 0.198 0.000 1.035 1210 E CA -0.189 56.290 56.400 0.132 0.000 0.873 1210 E CB 0.317 30.069 29.700 0.086 0.000 1.029 1210 E HN 0.449 nan 8.360 nan 0.000 0.419 1211 F N 6.228 126.217 119.950 0.065 0.000 2.413 1211 F HA 0.222 4.739 4.527 -0.017 0.000 0.359 1211 F C -0.508 175.360 175.800 0.113 0.000 1.122 1211 F CA -0.544 57.507 58.000 0.085 0.000 1.160 1211 F CB 0.249 39.288 39.000 0.065 0.000 1.146 1211 F HN 0.385 nan 8.300 nan 0.000 0.514 1212 L N 6.288 127.355 121.223 -0.259 0.000 2.410 1212 L HA 0.194 4.525 4.340 -0.015 0.000 0.273 1212 L C 0.180 176.915 176.870 -0.226 0.000 1.152 1212 L CA -0.254 54.489 54.840 -0.161 0.000 0.855 1212 L CB 0.354 42.374 42.059 -0.066 0.000 1.129 1212 L HN 0.470 nan 8.230 nan 0.000 0.463 1213 E N 3.006 123.138 120.200 -0.114 0.000 2.214 1213 E HA 0.420 4.761 4.350 -0.015 0.000 0.274 1213 E C -0.750 175.767 176.600 -0.138 0.000 0.977 1213 E CA -0.999 55.363 56.400 -0.063 0.000 0.827 1213 E CB 2.387 32.099 29.700 0.021 0.000 1.130 1213 E HN 0.189 nan 8.360 nan 0.000 0.394 1214 L N 1.856 122.994 121.223 -0.142 0.000 2.375 1214 L HA 0.124 4.455 4.340 -0.015 0.000 0.271 1214 L C 0.480 177.303 176.870 -0.079 0.000 1.107 1214 L CA -0.014 54.673 54.840 -0.255 0.000 0.806 1214 L CB 0.523 42.304 42.059 -0.464 0.000 1.146 1214 L HN 0.370 nan 8.230 nan 0.000 0.447 1215 D N 3.651 123.998 120.400 -0.089 0.000 2.455 1215 D HA 0.122 4.753 4.640 -0.015 0.000 0.234 1215 D C -0.774 175.622 176.300 0.159 0.000 1.224 1215 D CA 0.559 54.563 54.000 0.008 0.000 0.999 1215 D CB -0.364 40.412 40.800 -0.041 0.000 1.072 1215 D HN 0.288 nan 8.370 nan 0.000 0.514 1225 G N -0.364 108.469 108.800 0.054 0.000 2.459 1225 G HA2 -0.312 3.639 3.960 -0.015 0.000 0.217 1225 G HA3 -0.312 3.639 3.960 -0.015 0.000 0.217 1225 G C 1.305 176.195 174.900 -0.016 0.000 1.183 1225 G CA 1.456 46.565 45.100 0.014 0.000 0.776 1225 G HN 0.530 nan 8.290 nan 0.000 0.552 1226 Y N 1.869 122.128 120.300 -0.068 0.000 2.062 1226 Y HA -0.262 4.279 4.550 -0.015 0.000 0.276 1226 Y C 3.013 178.863 175.900 -0.083 0.000 1.189 1226 Y CA 2.435 60.492 58.100 -0.072 0.000 1.130 1226 Y CB -0.273 38.164 38.460 -0.039 0.000 0.959 1226 Y HN 0.266 nan 8.280 nan 0.000 0.499 1227 A N -0.021 122.927 122.820 0.214 0.000 1.930 1227 A HA -0.141 4.170 4.320 -0.015 0.000 0.217 1227 A C 2.281 179.871 177.584 0.010 0.000 1.175 1227 A CA 2.401 54.517 52.037 0.132 0.000 0.627 1227 A CB -1.308 17.766 19.000 0.123 0.000 0.815 1227 A HN 0.513 nan 8.150 nan 0.000 0.443 1228 K N -0.519 119.869 120.400 -0.021 0.000 2.001 1228 K HA 0.009 4.321 4.320 -0.015 0.000 0.214 1228 K C 2.323 178.727 176.600 -0.326 0.000 1.050 1228 K CA 2.348 58.610 56.287 -0.041 0.000 0.934 1228 K CB -2.013 30.494 32.500 0.010 0.000 0.718 1228 K HN 1.138 nan 8.250 nan 0.000 0.443 1229 V N 0.166 119.692 119.914 -0.645 0.000 2.688 1229 V HA -0.127 3.984 4.120 -0.015 0.000 0.256 1229 V C 2.448 178.264 176.094 -0.463 0.000 1.084 1229 V CA 2.460 64.125 62.300 -1.057 0.000 1.103 1229 V CB -0.562 30.789 31.823 -0.787 0.000 0.688 1229 V HN 0.536 nan 8.190 nan 0.000 0.480 1230 M N 0.596 120.034 119.600 -0.271 0.000 2.509 1230 M HA 0.154 4.625 4.480 -0.015 0.000 0.250 1230 M C 1.350 177.647 176.300 -0.005 0.000 1.132 1230 M CA 0.663 55.888 55.300 -0.125 0.000 1.080 1230 M CB -0.356 32.174 32.600 -0.115 0.000 1.408 1230 M HN 0.689 nan 8.290 nan 0.000 0.484 1231 S N 0.810 116.530 115.700 0.034 0.000 2.579 1231 S HA 0.065 4.527 4.470 -0.015 0.000 0.275 1231 S C 0.703 175.386 174.600 0.138 0.000 1.345 1231 S CA -0.442 57.820 58.200 0.104 0.000 1.031 1231 S CB 1.204 64.498 63.200 0.157 0.000 0.892 1231 S HN 0.185 nan 8.310 nan 0.000 0.529 1232 D N 2.138 122.604 120.400 0.111 0.000 2.123 1232 D HA -0.103 4.528 4.640 -0.015 0.000 0.196 1232 D C 2.200 178.581 176.300 0.135 0.000 0.992 1232 D CA 1.854 55.913 54.000 0.098 0.000 0.833 1232 D CB -0.845 39.996 40.800 0.068 0.000 0.954 1232 D HN 0.737 nan 8.370 nan 0.000 0.455 1233 A N 0.344 123.282 122.820 0.197 0.000 1.877 1233 A HA -0.176 4.135 4.320 -0.015 0.000 0.216 1233 A C 2.166 179.998 177.584 0.414 0.000 1.186 1233 A CA 1.161 53.372 52.037 0.289 0.000 0.620 1233 A CB -1.066 18.107 19.000 0.289 0.000 0.822 1233 A HN 0.291 nan 8.150 nan 0.000 0.443 1234 F N 0.286 120.359 119.950 0.205 0.000 2.146 1234 F HA -0.087 4.431 4.527 -0.016 0.000 0.298 1234 F C 1.967 177.620 175.800 -0.244 0.000 1.096 1234 F CA 1.604 59.426 58.000 -0.296 0.000 1.275 1234 F CB -0.075 38.764 39.000 -0.268 0.000 1.008 1234 F HN 0.162 nan 8.300 nan 0.000 0.480 1235 I N 0.226 120.887 120.570 0.152 0.000 2.315 1235 I HA -0.272 3.889 4.170 -0.015 0.000 0.248 1235 I C 2.387 178.449 176.117 -0.092 0.000 1.117 1235 I CA 1.316 62.642 61.300 0.044 0.000 1.404 1235 I CB -0.439 37.615 38.000 0.090 0.000 1.071 1235 I HN 0.119 nan 8.210 nan 0.000 0.419 1236 K N 1.237 121.605 120.400 -0.054 0.000 2.057 1236 K HA -0.144 4.167 4.320 -0.015 0.000 0.206 1236 K C 2.159 178.653 176.600 -0.176 0.000 1.050 1236 K CA 1.409 57.648 56.287 -0.080 0.000 0.935 1236 K CB -0.081 32.411 32.500 -0.012 0.000 0.715 1236 K HN 0.272 nan 8.250 nan 0.000 0.439 1237 A N 0.885 123.564 122.820 -0.235 0.000 1.969 1237 A HA -0.193 4.118 4.320 -0.015 0.000 0.218 1237 A C 1.981 179.190 177.584 -0.625 0.000 1.169 1237 A CA 1.711 53.529 52.037 -0.364 0.000 0.635 1237 A CB -0.448 18.322 19.000 -0.383 0.000 0.810 1237 A HN 0.571 nan 8.150 nan 0.000 0.445 1238 E N -0.923 118.809 120.200 -0.778 0.000 2.076 1238 E HA -0.140 4.201 4.350 -0.015 0.000 0.190 1238 E C 1.897 177.839 176.600 -1.097 0.000 0.979 1238 E CA 1.008 56.747 56.400 -1.101 0.000 0.807 1238 E CB -0.157 29.016 29.700 -0.878 0.000 0.761 1238 E HN 0.415 nan 8.360 nan 0.000 0.454 1239 M N 0.765 120.023 119.600 -0.570 0.000 2.159 1239 M HA -0.131 4.341 4.480 -0.015 0.000 0.263 1239 M C 1.952 178.093 176.300 -0.266 0.000 1.063 1239 M CA 1.466 56.581 55.300 -0.308 0.000 1.110 1239 M CB -0.860 31.662 32.600 -0.130 0.000 1.374 1239 M HN 0.158 nan 8.290 nan 0.000 0.411 1240 E N 0.258 120.284 120.200 -0.290 0.000 2.110 1240 E HA -0.160 4.182 4.350 -0.015 0.000 0.193 1240 E C 2.139 178.589 176.600 -0.251 0.000 0.988 1240 E CA 0.763 57.032 56.400 -0.219 0.000 0.804 1240 E CB -0.074 29.510 29.700 -0.194 0.000 0.745 1240 E HN 0.366 nan 8.360 nan 0.000 0.458 1241 L N 0.106 121.069 121.223 -0.432 0.000 2.017 1241 L HA -0.172 4.159 4.340 -0.015 0.000 0.208 1241 L C 1.939 178.701 176.870 -0.179 0.000 1.073 1241 L CA 1.423 56.019 54.840 -0.406 0.000 0.745 1241 L CB -0.205 41.419 42.059 -0.725 0.000 0.894 1241 L HN 0.164 nan 8.230 nan 0.000 0.432 1242 F N 0.379 120.198 119.950 -0.218 0.000 2.186 1242 F HA -0.079 4.441 4.527 -0.011 0.000 0.299 1242 F C 2.731 178.470 175.800 -0.101 0.000 1.090 1242 F CA 0.697 58.607 58.000 -0.150 0.000 1.307 1242 F CB -1.535 37.388 39.000 -0.127 0.000 1.019 1242 F HN 0.123 nan 8.300 nan 0.000 0.489 1243 A N 0.151 123.010 122.820 0.064 0.000 1.902 1243 A HA -0.019 4.292 4.320 -0.015 0.000 0.217 1243 A C 2.492 180.080 177.584 0.006 0.000 1.181 1243 A CA 1.850 53.901 52.037 0.024 0.000 0.623 1243 A CB -1.223 17.771 19.000 -0.010 0.000 0.818 1243 A HN 0.275 nan 8.150 nan 0.000 0.443 1244 A N -1.268 121.541 122.820 -0.019 0.000 1.902 1244 A HA -0.161 4.150 4.320 -0.015 0.000 0.217 1244 A C 2.138 179.716 177.584 -0.009 0.000 1.181 1244 A CA 1.606 53.629 52.037 -0.024 0.000 0.623 1244 A CB -0.430 18.540 19.000 -0.049 0.000 0.818 1244 A HN 0.489 nan 8.150 nan 0.000 0.443 1245 Q N -0.586 119.218 119.800 0.006 0.000 2.119 1245 Q HA -0.052 4.280 4.340 -0.015 0.000 0.201 1245 Q C 2.416 178.418 176.000 0.004 0.000 0.972 1245 Q CA 1.443 57.251 55.803 0.009 0.000 0.847 1245 Q CB -0.677 28.081 28.738 0.033 0.000 0.903 1245 Q HN 0.650 nan 8.270 nan 0.000 0.433 1246 A N 1.448 124.277 122.820 0.015 0.000 1.972 1246 A HA -0.189 4.122 4.320 -0.015 0.000 0.219 1246 A C 2.039 179.625 177.584 0.003 0.000 1.169 1246 A CA 1.411 53.452 52.037 0.006 0.000 0.635 1246 A CB -0.318 18.694 19.000 0.020 0.000 0.810 1246 A HN 0.234 nan 8.150 nan 0.000 0.446 1247 K N -0.445 119.957 120.400 0.003 0.000 2.209 1247 K HA -0.160 4.151 4.320 -0.015 0.000 0.204 1247 K C 1.599 178.197 176.600 -0.003 0.000 1.048 1247 K CA 1.578 57.865 56.287 0.001 0.000 0.940 1247 K CB -0.053 32.446 32.500 -0.002 0.000 0.729 1247 K HN 0.902 nan 8.250 nan 0.000 0.451 1248 E N -0.007 120.189 120.200 -0.007 0.000 2.514 1248 E HA 0.022 4.363 4.350 -0.015 0.000 0.215 1248 E C 0.475 177.064 176.600 -0.018 0.000 0.946 1248 E CA -0.225 56.169 56.400 -0.010 0.000 1.038 1248 E CB 0.386 30.081 29.700 -0.009 0.000 1.069 1248 E HN 0.012 nan 8.360 nan 0.000 0.503 1249 V N -0.907 118.990 119.914 -0.027 0.000 2.973 1249 V HA 0.272 4.383 4.120 -0.015 0.000 0.314 1249 V C 0.262 176.316 176.094 -0.067 0.000 1.066 1249 V CA -0.556 61.713 62.300 -0.052 0.000 1.021 1249 V CB 1.847 33.634 31.823 -0.059 0.000 1.076 1249 V HN -0.051 nan 8.190 nan 0.000 0.462 1250 D N 0.982 121.309 120.400 -0.121 0.000 2.277 1250 D HA 0.212 4.844 4.640 -0.015 0.000 0.209 1250 D C 0.305 176.435 176.300 -0.283 0.000 0.970 1250 D CA 1.094 54.994 54.000 -0.166 0.000 0.874 1250 D CB 0.630 41.295 40.800 -0.225 0.000 0.982 1250 D HN 0.416 nan 8.370 nan 0.000 0.504 1251 I N 1.734 122.123 120.570 -0.303 0.000 2.466 1251 I HA 0.376 4.537 4.170 -0.015 0.000 0.289 1251 I C -0.218 175.817 176.117 -0.137 0.000 1.026 1251 I CA -0.665 60.480 61.300 -0.258 0.000 1.078 1251 I CB 2.036 39.857 38.000 -0.299 0.000 1.249 1251 I HN -0.236 nan 8.210 nan 0.000 0.429 1252 I N 5.733 126.245 120.570 -0.097 0.000 2.433 1252 I HA 0.485 4.646 4.170 -0.015 0.000 0.292 1252 I C -0.466 175.613 176.117 -0.063 0.000 1.001 1252 I CA -0.956 60.295 61.300 -0.082 0.000 1.119 1252 I CB 2.432 40.375 38.000 -0.094 0.000 1.289 1252 I HN 0.132 nan 8.210 nan 0.000 0.438 1253 V N 4.292 124.173 119.914 -0.054 0.000 2.378 1253 V HA 0.397 4.508 4.120 -0.015 0.000 0.288 1253 V C 0.115 176.176 176.094 -0.055 0.000 1.016 1253 V CA -0.515 61.763 62.300 -0.036 0.000 0.840 1253 V CB 1.779 33.597 31.823 -0.008 0.000 0.994 1253 V HN 0.850 nan 8.190 nan 0.000 0.431 1254 T N 0.241 114.759 114.554 -0.060 0.000 2.794 1254 T HA 0.507 4.848 4.350 -0.015 0.000 0.280 1254 T C 0.459 175.138 174.700 -0.035 0.000 0.987 1254 T CA 0.058 62.114 62.100 -0.072 0.000 0.993 1254 T CB 1.479 70.289 68.868 -0.096 0.000 0.939 1254 T HN 0.776 nan 8.240 nan 0.000 0.449 1255 T N -1.108 113.434 114.554 -0.021 0.000 3.231 1255 T HA 0.502 4.843 4.350 -0.015 0.000 0.292 1255 T C 0.622 175.326 174.700 0.006 0.000 1.001 1255 T CA -0.203 61.896 62.100 -0.001 0.000 0.920 1255 T CB -0.093 68.783 68.868 0.014 0.000 1.140 1255 T HN 0.941 nan 8.240 nan 0.000 0.525 1256 A N 1.984 124.806 122.820 0.003 0.000 2.527 1256 A HA 0.717 5.029 4.320 -0.015 0.000 0.313 1256 A C -0.413 177.176 177.584 0.007 0.000 1.410 1256 A CA -0.541 51.506 52.037 0.017 0.000 1.060 1256 A CB -0.406 18.617 19.000 0.037 0.000 1.137 1256 A HN 0.727 nan 8.150 nan 0.000 0.542 1257 L N 4.214 125.441 121.223 0.007 0.000 2.505 1257 L HA 0.620 4.952 4.340 -0.015 0.000 0.266 1257 L C -1.584 175.288 176.870 0.002 0.000 0.954 1257 L CA -0.358 54.478 54.840 -0.007 0.000 0.852 1257 L CB 1.552 43.599 42.059 -0.019 0.000 1.282 1257 L HN 0.472 nan 8.230 nan 0.000 0.403 1258 I N 5.582 126.149 120.570 -0.004 0.000 2.389 1258 I HA 0.416 4.577 4.170 -0.015 0.000 0.288 1258 I C -2.194 173.911 176.117 -0.020 0.000 0.999 1258 I CA -2.129 59.178 61.300 0.011 0.000 1.129 1258 I CB 1.559 39.575 38.000 0.027 0.000 1.288 1258 I HN 0.468 nan 8.210 nan 0.000 0.444 1259 P HA 0.107 nan 4.420 nan 0.000 0.261 1259 P C 0.971 178.231 177.300 -0.067 0.000 1.183 1259 P CA 0.938 63.967 63.100 -0.119 0.000 0.761 1259 P CB 0.480 32.159 31.700 -0.035 0.000 0.785 1260 G N 2.529 111.253 108.800 -0.126 0.000 2.253 1260 G HA2 -0.243 3.708 3.960 -0.015 0.000 0.251 1260 G HA3 -0.243 3.708 3.960 -0.015 0.000 0.251 1260 G C 0.027 174.908 174.900 -0.032 0.000 0.998 1260 G CA -0.166 44.895 45.100 -0.065 0.000 0.621 1260 G HN 0.540 nan 8.290 nan 0.000 0.524 1261 K N 1.836 122.221 120.400 -0.025 0.000 2.138 1261 K HA 0.504 4.815 4.320 -0.015 0.000 0.263 1261 K C -2.484 174.099 176.600 -0.030 0.000 0.965 1261 K CA -1.843 54.436 56.287 -0.013 0.000 0.868 1261 K CB 2.111 34.615 32.500 0.007 0.000 1.083 1261 K HN 0.084 nan 8.250 nan 0.000 0.443 1262 P HA 0.007 nan 4.420 nan 0.000 0.271 1262 P C -0.885 176.401 177.300 -0.023 0.000 1.218 1262 P CA -0.257 62.825 63.100 -0.030 0.000 0.780 1262 P CB 0.702 32.387 31.700 -0.025 0.000 0.901 1263 A N 5.058 127.861 122.820 -0.029 0.000 2.388 1263 A HA 0.468 4.780 4.320 -0.015 0.000 0.257 1263 A C -1.978 175.599 177.584 -0.011 0.000 1.095 1263 A CA -1.357 50.668 52.037 -0.021 0.000 0.791 1263 A CB -0.988 17.995 19.000 -0.028 0.000 1.029 1263 A HN 0.424 nan 8.150 nan 0.000 0.489 1264 P HA 0.147 nan 4.420 nan 0.000 0.271 1264 P C -0.913 176.395 177.300 0.013 0.000 1.216 1264 P CA -0.229 62.880 63.100 0.016 0.000 0.771 1264 P CB 0.505 32.228 31.700 0.039 0.000 0.864 1265 K N 3.817 124.221 120.400 0.007 0.000 2.171 1265 K HA 0.178 4.489 4.320 -0.015 0.000 0.274 1265 K C 1.008 177.626 176.600 0.031 0.000 1.110 1265 K CA -0.094 56.192 56.287 -0.001 0.000 0.952 1265 K CB -0.333 32.154 32.500 -0.022 0.000 1.309 1265 K HN 0.492 nan 8.250 nan 0.000 0.414 1266 L N 1.398 122.648 121.223 0.045 0.000 2.354 1266 L HA 0.231 4.562 4.340 -0.015 0.000 0.212 1266 L C 0.695 177.625 176.870 0.099 0.000 1.091 1266 L CA 0.503 55.416 54.840 0.122 0.000 0.828 1266 L CB 0.093 42.218 42.059 0.109 0.000 0.973 1266 L HN 0.358 nan 8.230 nan 0.000 0.461 1267 I N 0.801 121.372 120.570 0.003 0.000 2.390 1267 I HA 0.159 4.320 4.170 -0.015 0.000 0.283 1267 I C 0.366 176.477 176.117 -0.010 0.000 1.016 1267 I CA -0.399 60.899 61.300 -0.003 0.000 1.151 1267 I CB 1.565 39.539 38.000 -0.043 0.000 1.293 1267 I HN 0.043 nan 8.210 nan 0.000 0.458 1268 T N 1.809 116.359 114.554 -0.007 0.000 2.882 1268 T HA 0.342 4.683 4.350 -0.015 0.000 0.287 1268 T C 1.307 175.958 174.700 -0.081 0.000 1.014 1268 T CA -0.593 61.473 62.100 -0.058 0.000 1.049 1268 T CB 1.456 70.300 68.868 -0.040 0.000 1.001 1268 T HN 0.512 nan 8.240 nan 0.000 0.525 1269 R N 0.448 120.811 120.500 -0.228 0.000 2.134 1269 R HA -0.222 4.109 4.340 -0.015 0.000 0.248 1269 R C 2.450 178.750 176.300 0.001 0.000 1.143 1269 R CA 2.313 58.218 56.100 -0.325 0.000 0.957 1269 R CB -0.518 29.484 30.300 -0.497 0.000 0.867 1269 R HN 0.948 nan 8.270 nan 0.000 0.441 1270 E N 0.665 120.856 120.200 -0.015 0.000 2.058 1270 E HA -0.240 4.101 4.350 -0.015 0.000 0.194 1270 E C 2.013 178.643 176.600 0.050 0.000 0.997 1270 E CA 1.568 57.984 56.400 0.026 0.000 0.801 1270 E CB -0.039 29.663 29.700 0.003 0.000 0.746 1270 E HN 0.306 nan 8.360 nan 0.000 0.450 1271 M N 0.071 119.697 119.600 0.044 0.000 2.117 1271 M HA -0.156 4.315 4.480 -0.015 0.000 0.262 1271 M C 2.305 178.650 176.300 0.075 0.000 1.065 1271 M CA 1.135 56.465 55.300 0.051 0.000 1.114 1271 M CB -0.012 32.617 32.600 0.048 0.000 1.361 1271 M HN 0.069 nan 8.290 nan 0.000 0.408 1272 V N 0.172 120.162 119.914 0.126 0.000 2.307 1272 V HA -0.254 3.857 4.120 -0.015 0.000 0.245 1272 V C 1.664 177.838 176.094 0.134 0.000 1.045 1272 V CA 1.818 64.215 62.300 0.162 0.000 1.024 1272 V CB -0.851 31.166 31.823 0.323 0.000 0.651 1272 V HN 0.382 nan 8.190 nan 0.000 0.449 1273 D N 0.823 121.336 120.400 0.187 0.000 2.280 1273 D HA -0.159 4.472 4.640 -0.015 0.000 0.206 1273 D C 2.288 178.626 176.300 0.063 0.000 0.988 1273 D CA 1.838 55.911 54.000 0.123 0.000 0.886 1273 D CB -0.219 40.664 40.800 0.139 0.000 0.914 1273 D HN 0.640 nan 8.370 nan 0.000 0.473 1274 S N -1.019 114.713 115.700 0.054 0.000 2.562 1274 S HA 0.030 4.491 4.470 -0.015 0.000 0.221 1274 S C 0.982 175.594 174.600 0.021 0.000 0.975 1274 S CA -0.222 57.996 58.200 0.030 0.000 0.918 1274 S CB -0.066 63.149 63.200 0.025 0.000 0.772 1274 S HN 0.074 nan 8.310 nan 0.000 0.531 1275 M N 1.760 121.374 119.600 0.023 0.000 2.241 1275 M HA 0.286 4.757 4.480 -0.015 0.000 0.335 1275 M C 0.239 176.544 176.300 0.008 0.000 1.122 1275 M CA -0.315 54.993 55.300 0.013 0.000 1.164 1275 M CB 0.564 33.172 32.600 0.013 0.000 1.459 1275 M HN 0.058 nan 8.290 nan 0.000 0.461 1276 K N 1.554 121.959 120.400 0.008 0.000 2.448 1276 K HA 0.268 4.580 4.320 -0.015 0.000 0.278 1276 K C -0.345 176.260 176.600 0.009 0.000 1.009 1276 K CA -0.279 56.012 56.287 0.008 0.000 0.995 1276 K CB 0.592 33.101 32.500 0.015 0.000 0.917 1276 K HN 0.744 nan 8.250 nan 0.000 0.481 1277 A N 3.115 125.932 122.820 -0.006 0.000 2.587 1277 A HA 0.285 4.596 4.320 -0.015 0.000 0.233 1277 A C 1.264 178.848 177.584 0.001 0.000 1.049 1277 A CA 0.846 52.873 52.037 -0.016 0.000 0.754 1277 A CB -0.641 18.340 19.000 -0.032 0.000 0.977 1277 A HN 1.153 nan 8.150 nan 0.000 0.509 1278 G N 1.583 110.386 108.800 0.006 0.000 2.179 1278 G HA2 -0.230 3.721 3.960 -0.015 0.000 0.260 1278 G HA3 -0.230 3.721 3.960 -0.015 0.000 0.260 1278 G C 0.600 175.611 174.900 0.185 0.000 0.977 1278 G CA 0.504 45.634 45.100 0.050 0.000 0.641 1278 G HN 1.286 nan 8.290 nan 0.000 0.533 1279 S N -0.794 114.983 115.700 0.128 0.000 2.576 1279 S HA 0.476 4.938 4.470 -0.015 0.000 0.272 1279 S C 0.424 175.056 174.600 0.053 0.000 1.352 1279 S CA 0.324 58.580 58.200 0.093 0.000 1.021 1279 S CB 1.947 65.158 63.200 0.019 0.000 0.887 1279 S HN 0.886 nan 8.310 nan 0.000 0.542 1280 V N 2.703 122.605 119.914 -0.020 0.000 2.588 1280 V HA 0.494 4.605 4.120 -0.015 0.000 0.304 1280 V C -0.411 175.657 176.094 -0.043 0.000 1.042 1280 V CA -0.561 61.730 62.300 -0.016 0.000 0.877 1280 V CB 1.552 33.374 31.823 -0.002 0.000 0.996 1280 V HN 0.713 nan 8.190 nan 0.000 0.425 1281 I N 4.100 124.657 120.570 -0.021 0.000 2.433 1281 I HA 0.529 4.690 4.170 -0.015 0.000 0.292 1281 I C -0.786 175.318 176.117 -0.022 0.000 1.001 1281 I CA -0.894 60.392 61.300 -0.025 0.000 1.119 1281 I CB 2.184 40.179 38.000 -0.007 0.000 1.289 1281 I HN 0.287 nan 8.210 nan 0.000 0.438 1282 V N 4.391 124.290 119.914 -0.025 0.000 2.334 1282 V HA 0.245 4.356 4.120 -0.015 0.000 0.281 1282 V C -0.459 175.621 176.094 -0.023 0.000 1.016 1282 V CA -0.520 61.769 62.300 -0.020 0.000 0.832 1282 V CB 1.506 33.327 31.823 -0.003 0.000 0.999 1282 V HN 0.607 nan 8.190 nan 0.000 0.439 1283 D N 4.623 125.008 120.400 -0.026 0.000 2.485 1283 D HA 0.297 4.928 4.640 -0.015 0.000 0.221 1283 D C 0.915 177.205 176.300 -0.017 0.000 1.112 1283 D CA -0.236 53.748 54.000 -0.027 0.000 0.911 1283 D CB 1.082 41.865 40.800 -0.029 0.000 1.019 1283 D HN 0.466 nan 8.370 nan 0.000 0.516 1284 L N 1.673 122.890 121.223 -0.011 0.000 2.650 1284 L HA 0.104 4.435 4.340 -0.015 0.000 0.235 1284 L C 1.547 178.409 176.870 -0.014 0.000 1.149 1284 L CA 0.176 55.014 54.840 -0.003 0.000 0.887 1284 L CB -0.219 41.845 42.059 0.007 0.000 1.021 1284 L HN 0.300 nan 8.230 nan 0.000 0.441 1285 A N -0.406 122.401 122.820 -0.023 0.000 2.465 1285 A HA 0.471 4.782 4.320 -0.015 0.000 0.255 1285 A C 2.184 179.745 177.584 -0.039 0.000 1.274 1285 A CA 0.575 52.593 52.037 -0.032 0.000 0.920 1285 A CB 0.004 18.987 19.000 -0.028 0.000 1.033 1285 A HN 0.276 nan 8.150 nan 0.000 0.516 1286 A N 0.884 123.684 122.820 -0.033 0.000 1.978 1286 A HA -0.241 4.070 4.320 -0.015 0.000 0.220 1286 A C 2.069 179.626 177.584 -0.044 0.000 1.170 1286 A CA 1.702 53.718 52.037 -0.035 0.000 0.636 1286 A CB -0.531 18.455 19.000 -0.024 0.000 0.810 1286 A HN 0.779 nan 8.150 nan 0.000 0.448 1287 Q N -1.279 118.488 119.800 -0.055 0.000 2.364 1287 Q HA -0.053 4.279 4.340 -0.015 0.000 0.207 1287 Q C 0.235 176.180 176.000 -0.093 0.000 0.970 1287 Q CA 1.504 57.261 55.803 -0.077 0.000 0.888 1287 Q CB -0.278 28.397 28.738 -0.104 0.000 0.951 1287 Q HN 0.502 nan 8.270 nan 0.000 0.469 1288 N N -0.506 118.144 118.700 -0.083 0.000 2.401 1288 N HA 0.258 4.989 4.740 -0.015 0.000 0.264 1288 N C -0.065 175.409 175.510 -0.060 0.000 1.238 1288 N CA 0.586 53.588 53.050 -0.081 0.000 0.889 1288 N CB 1.477 39.911 38.487 -0.088 0.000 1.196 1288 N HN 0.432 nan 8.380 nan 0.000 0.511 1289 G N -0.676 108.091 108.800 -0.056 0.000 2.254 1289 G HA2 -0.042 3.910 3.960 -0.015 0.000 0.225 1289 G HA3 -0.042 3.910 3.960 -0.015 0.000 0.225 1289 G C 0.440 175.310 174.900 -0.049 0.000 1.003 1289 G CA 0.022 45.091 45.100 -0.051 0.000 0.622 1289 G HN 0.912 nan 8.290 nan 0.000 0.507 1290 G N -0.746 108.028 108.800 -0.044 0.000 2.719 1290 G HA2 0.051 4.002 3.960 -0.015 0.000 0.686 1290 G HA3 0.051 4.002 3.960 -0.015 0.000 0.686 1290 G C 0.112 174.990 174.900 -0.036 0.000 1.201 1290 G CA 0.423 45.499 45.100 -0.040 0.000 0.768 1290 G HN 1.012 nan 8.290 nan 0.000 0.629 1291 N N -0.847 117.833 118.700 -0.034 0.000 2.515 1291 N HA 0.130 4.861 4.740 -0.015 0.000 0.185 1291 N C 0.890 176.377 175.510 -0.038 0.000 1.109 1291 N CA 0.901 53.931 53.050 -0.034 0.000 0.903 1291 N CB 0.390 38.850 38.487 -0.046 0.000 0.969 1291 N HN 0.691 nan 8.380 nan 0.000 0.450 1292 C N 0.481 119.760 119.300 -0.035 0.000 2.382 1292 C HA 0.237 4.689 4.460 -0.015 0.000 0.327 1292 C C 1.424 176.388 174.990 -0.044 0.000 1.250 1292 C CA -0.669 58.335 59.018 -0.024 0.000 1.707 1292 C CB 0.905 28.650 27.740 0.009 0.000 2.272 1292 C HN 0.406 nan 8.230 nan 0.000 0.506 1293 E N 1.973 122.120 120.200 -0.089 0.000 2.274 1293 E HA -0.121 4.220 4.350 -0.015 0.000 0.194 1293 E C 0.423 176.892 176.600 -0.219 0.000 0.996 1293 E CA 1.297 57.593 56.400 -0.173 0.000 0.840 1293 E CB 0.070 29.619 29.700 -0.251 0.000 0.772 1293 E HN 0.858 nan 8.360 nan 0.000 0.491 1294 Y N 1.258 121.505 120.300 -0.089 0.000 2.561 1294 Y HA 0.010 4.550 4.550 -0.017 0.000 0.291 1294 Y C 0.988 176.750 175.900 -0.229 0.000 1.141 1294 Y CA 0.351 58.353 58.100 -0.163 0.000 1.303 1294 Y CB -0.089 38.387 38.460 0.027 0.000 1.015 1294 Y HN -0.204 nan 8.280 nan 0.000 0.547 1295 T N 1.247 115.802 114.554 0.002 0.000 2.908 1295 T HA 0.168 4.509 4.350 -0.015 0.000 0.301 1295 T C -0.101 174.539 174.700 -0.100 0.000 1.019 1295 T CA 0.179 62.261 62.100 -0.030 0.000 1.152 1295 T CB 0.658 69.509 68.868 -0.029 0.000 0.966 1295 T HN -0.225 nan 8.240 nan 0.000 0.540 1296 V N 7.802 127.668 119.914 -0.081 0.000 2.284 1296 V HA 0.262 4.373 4.120 -0.015 0.000 0.274 1296 V C -2.145 173.928 176.094 -0.036 0.000 1.023 1296 V CA -2.073 60.181 62.300 -0.077 0.000 0.808 1296 V CB 0.983 32.775 31.823 -0.053 0.000 1.035 1296 V HN 0.697 nan 8.190 nan 0.000 0.445 1297 P HA 0.200 nan 4.420 nan 0.000 0.264 1297 P C 1.068 178.376 177.300 0.012 0.000 1.183 1297 P CA 1.380 64.470 63.100 -0.017 0.000 0.763 1297 P CB 0.630 32.315 31.700 -0.024 0.000 0.807 1298 G N 1.514 110.342 108.800 0.047 0.000 2.175 1298 G HA2 -0.203 3.748 3.960 -0.015 0.000 0.244 1298 G HA3 -0.203 3.748 3.960 -0.015 0.000 0.244 1298 G C -0.085 174.914 174.900 0.164 0.000 0.982 1298 G CA -0.095 45.079 45.100 0.124 0.000 0.641 1298 G HN 0.566 nan 8.290 nan 0.000 0.527 1299 E N -1.086 119.124 120.200 0.017 0.000 2.456 1299 E HA 0.675 5.016 4.350 -0.015 0.000 0.276 1299 E C -0.629 175.841 176.600 -0.216 0.000 0.981 1299 E CA -1.137 55.247 56.400 -0.027 0.000 0.814 1299 E CB 1.720 31.451 29.700 0.051 0.000 1.382 1299 E HN 0.177 nan 8.360 nan 0.000 0.459 1300 I N 1.664 122.136 120.570 -0.163 0.000 2.331 1300 I HA 0.298 4.459 4.170 -0.015 0.000 0.292 1300 I C -0.880 175.258 176.117 0.036 0.000 0.998 1300 I CA -0.523 60.704 61.300 -0.121 0.000 1.267 1300 I CB 0.560 38.489 38.000 -0.117 0.000 1.386 1300 I HN 0.321 nan 8.210 nan 0.000 0.476 1301 F N 5.275 125.168 119.950 -0.094 0.000 2.436 1301 F HA 0.445 4.963 4.527 -0.016 0.000 0.340 1301 F C -0.012 175.727 175.800 -0.102 0.000 1.113 1301 F CA -0.272 57.684 58.000 -0.074 0.000 1.022 1301 F CB 1.477 40.449 39.000 -0.046 0.000 1.128 1301 F HN 0.286 nan 8.300 nan 0.000 0.466 1302 T N 4.616 118.746 114.554 -0.706 0.000 2.749 1302 T HA 0.319 4.660 4.350 -0.015 0.000 0.287 1302 T C 0.193 174.363 174.700 -0.883 0.000 0.970 1302 T CA -0.540 61.207 62.100 -0.589 0.000 0.980 1302 T CB 0.761 69.400 68.868 -0.381 0.000 0.924 1302 T HN 0.749 nan 8.240 nan 0.000 0.456 1303 T N 1.035 115.239 114.554 -0.583 0.000 2.726 1303 T HA 0.227 4.569 4.350 -0.015 0.000 0.294 1303 T C 1.297 175.792 174.700 -0.342 0.000 1.013 1303 T CA -0.595 61.179 62.100 -0.543 0.000 0.996 1303 T CB 0.797 69.337 68.868 -0.548 0.000 1.016 1303 T HN 0.576 nan 8.240 nan 0.000 0.529 1304 E N 1.116 121.183 120.200 -0.222 0.000 2.106 1304 E HA -0.140 4.202 4.350 -0.015 0.000 0.192 1304 E C 1.714 178.252 176.600 -0.103 0.000 0.984 1304 E CA 1.151 57.475 56.400 -0.127 0.000 0.806 1304 E CB -0.169 29.501 29.700 -0.049 0.000 0.750 1304 E HN 0.777 nan 8.360 nan 0.000 0.458 1305 N N 0.216 118.859 118.700 -0.095 0.000 2.434 1305 N HA -0.022 4.709 4.740 -0.015 0.000 0.196 1305 N C 0.890 176.352 175.510 -0.079 0.000 1.183 1305 N CA 0.933 53.943 53.050 -0.067 0.000 0.849 1305 N CB 0.591 39.058 38.487 -0.034 0.000 0.992 1305 N HN 0.172 nan 8.380 nan 0.000 0.460 1306 G N -0.488 108.242 108.800 -0.116 0.000 2.149 1306 G HA2 -0.234 3.717 3.960 -0.015 0.000 0.235 1306 G HA3 -0.234 3.717 3.960 -0.015 0.000 0.235 1306 G C -0.431 174.415 174.900 -0.090 0.000 1.018 1306 G CA 0.152 45.188 45.100 -0.106 0.000 0.728 1306 G HN 0.287 nan 8.290 nan 0.000 0.508 1307 V N 1.178 121.025 119.914 -0.111 0.000 2.509 1307 V HA 0.455 4.566 4.120 -0.015 0.000 0.284 1307 V C 0.416 176.453 176.094 -0.096 0.000 1.047 1307 V CA -0.733 61.521 62.300 -0.077 0.000 0.952 1307 V CB 1.668 33.455 31.823 -0.060 0.000 0.988 1307 V HN 0.227 nan 8.190 nan 0.000 0.469 1308 K N 3.955 124.328 120.400 -0.044 0.000 2.253 1308 K HA 0.449 4.760 4.320 -0.015 0.000 0.277 1308 K C -0.897 175.694 176.600 -0.014 0.000 1.053 1308 K CA -0.395 55.868 56.287 -0.040 0.000 0.892 1308 K CB 1.736 34.231 32.500 -0.009 0.000 1.102 1308 K HN 0.434 nan 8.250 nan 0.000 0.469 1309 V N 5.693 125.611 119.914 0.006 0.000 2.294 1309 V HA 0.322 4.433 4.120 -0.015 0.000 0.272 1309 V C 0.349 176.432 176.094 -0.018 0.000 1.027 1309 V CA -0.695 61.626 62.300 0.036 0.000 0.823 1309 V CB 0.499 32.402 31.823 0.134 0.000 1.030 1309 V HN 0.582 nan 8.190 nan 0.000 0.457 1310 I N 4.135 124.664 120.570 -0.069 0.000 2.312 1310 I HA 0.471 4.632 4.170 -0.015 0.000 0.291 1310 I C 1.102 177.113 176.117 -0.176 0.000 1.031 1310 I CA 0.184 61.372 61.300 -0.187 0.000 1.293 1310 I CB 1.342 39.255 38.000 -0.146 0.000 1.403 1310 I HN 0.705 nan 8.210 nan 0.000 0.484 1311 G N 5.604 114.252 108.800 -0.254 0.000 4.238 1311 G HA2 0.172 4.123 3.960 -0.015 0.000 0.292 1311 G HA3 0.172 4.123 3.960 -0.015 0.000 0.292 1311 G C -0.169 174.684 174.900 -0.078 0.000 1.036 1311 G CA -0.224 44.800 45.100 -0.127 0.000 0.812 1311 G HN 0.379 nan 8.290 nan 0.000 0.489 1312 Y N 1.602 121.908 120.300 0.009 0.000 2.969 1312 Y HA 0.028 4.565 4.550 -0.022 0.000 0.339 1312 Y C 2.068 177.960 175.900 -0.014 0.000 1.272 1312 Y CA 0.823 58.922 58.100 -0.002 0.000 1.577 1312 Y CB 0.433 38.892 38.460 -0.002 0.000 1.234 1312 Y HN 0.171 nan 8.280 nan 0.000 0.590 1313 T N -3.039 111.603 114.554 0.148 0.000 3.069 1313 T HA 0.026 4.367 4.350 -0.015 0.000 0.252 1313 T C 0.175 174.890 174.700 0.025 0.000 1.053 1313 T CA 0.258 62.389 62.100 0.051 0.000 0.964 1313 T CB -0.106 68.768 68.868 0.011 0.000 1.005 1313 T HN 0.614 nan 8.240 nan 0.000 0.532 1314 D N 1.186 121.609 120.400 0.038 0.000 3.068 1314 D HA 0.215 4.846 4.640 -0.015 0.000 0.327 1314 D C 1.186 177.480 176.300 -0.010 0.000 1.361 1314 D CA -0.612 53.383 54.000 -0.008 0.000 0.877 1314 D CB -0.309 40.472 40.800 -0.033 0.000 1.088 1314 D HN 0.291 nan 8.370 nan 0.000 0.489 1315 L N -0.206 121.030 121.223 0.021 0.000 2.046 1315 L HA -0.035 4.296 4.340 -0.015 0.000 0.208 1315 L C -0.518 176.365 176.870 0.022 0.000 1.077 1315 L CA 1.243 56.101 54.840 0.030 0.000 0.747 1315 L CB -1.475 40.618 42.059 0.057 0.000 0.896 1315 L HN 0.140 nan 8.230 nan 0.000 0.432 1316 P HA -0.113 nan 4.420 nan 0.000 0.218 1316 P C 1.462 178.768 177.300 0.009 0.000 1.149 1316 P CA 1.499 64.613 63.100 0.023 0.000 0.817 1316 P CB -0.156 31.552 31.700 0.014 0.000 0.785 1317 G N -0.400 108.392 108.800 -0.012 0.000 2.650 1317 G HA2 -0.154 3.798 3.960 -0.015 0.000 0.214 1317 G HA3 -0.154 3.798 3.960 -0.015 0.000 0.214 1317 G C 1.364 176.242 174.900 -0.038 0.000 1.136 1317 G CA -0.007 45.081 45.100 -0.021 0.000 0.789 1317 G HN 0.263 nan 8.290 nan 0.000 0.536 1318 R N -0.962 119.510 120.500 -0.046 0.000 2.317 1318 R HA 0.280 4.611 4.340 -0.015 0.000 0.208 1318 R C 0.004 176.291 176.300 -0.023 0.000 0.914 1318 R CA -0.091 55.970 56.100 -0.065 0.000 1.060 1318 R CB 0.223 30.461 30.300 -0.102 0.000 1.015 1318 R HN 0.208 nan 8.270 nan 0.000 0.498 1319 L N 1.209 122.436 121.223 0.006 0.000 2.783 1319 L HA 0.287 4.619 4.340 -0.015 0.000 0.265 1319 L C -2.067 174.813 176.870 0.017 0.000 1.398 1319 L CA -1.835 53.020 54.840 0.025 0.000 0.802 1319 L CB 1.382 43.483 42.059 0.071 0.000 1.126 1319 L HN -0.152 nan 8.230 nan 0.000 0.529 1320 P HA -0.102 nan 4.420 nan 0.000 0.217 1320 P C 1.225 178.551 177.300 0.044 0.000 1.150 1320 P CA 1.299 64.409 63.100 0.017 0.000 0.832 1320 P CB 0.217 31.913 31.700 -0.007 0.000 0.787 1321 T N -0.173 114.373 114.554 -0.013 0.000 2.701 1321 T HA -0.165 4.176 4.350 -0.015 0.000 0.263 1321 T C 2.034 176.801 174.700 0.110 0.000 1.040 1321 T CA 1.499 63.591 62.100 -0.013 0.000 1.147 1321 T CB -0.827 67.933 68.868 -0.180 0.000 0.865 1321 T HN 0.076 nan 8.240 nan 0.000 0.426 1322 Q N 1.197 121.028 119.800 0.051 0.000 2.077 1322 Q HA -0.083 4.248 4.340 -0.015 0.000 0.206 1322 Q C 2.519 178.572 176.000 0.088 0.000 0.989 1322 Q CA 1.839 57.674 55.803 0.052 0.000 0.853 1322 Q CB -0.618 28.116 28.738 -0.007 0.000 0.907 1322 Q HN 0.440 nan 8.270 nan 0.000 0.418 1323 S N -0.536 115.221 115.700 0.094 0.000 2.368 1323 S HA -0.105 4.356 4.470 -0.015 0.000 0.224 1323 S C 2.020 176.733 174.600 0.187 0.000 1.029 1323 S CA 1.110 59.382 58.200 0.120 0.000 0.988 1323 S CB -0.300 62.951 63.200 0.085 0.000 0.838 1323 S HN 0.374 nan 8.310 nan 0.000 0.462 1324 S N 1.402 117.224 115.700 0.205 0.000 2.382 1324 S HA -0.152 4.310 4.470 -0.015 0.000 0.228 1324 S C 1.995 176.727 174.600 0.219 0.000 1.027 1324 S CA 1.297 59.655 58.200 0.263 0.000 0.991 1324 S CB -0.370 63.028 63.200 0.330 0.000 0.823 1324 S HN 0.403 nan 8.310 nan 0.000 0.469 1325 Q N 1.574 121.490 119.800 0.193 0.000 2.016 1325 Q HA 0.040 4.371 4.340 -0.015 0.000 0.200 1325 Q C 1.952 177.999 176.000 0.077 0.000 0.978 1325 Q CA 1.523 57.393 55.803 0.112 0.000 0.833 1325 Q CB -0.583 28.227 28.738 0.120 0.000 0.895 1325 Q HN 0.524 nan 8.270 nan 0.000 0.427 1326 L N -0.851 120.432 121.223 0.101 0.000 2.027 1326 L HA -0.143 4.189 4.340 -0.015 0.000 0.206 1326 L C 2.364 179.297 176.870 0.105 0.000 1.074 1326 L CA 1.486 56.377 54.840 0.085 0.000 0.745 1326 L CB -0.853 41.261 42.059 0.091 0.000 0.898 1326 L HN 0.290 nan 8.230 nan 0.000 0.433 1327 Y N 1.403 121.730 120.300 0.046 0.000 2.165 1327 Y HA -0.201 4.363 4.550 0.022 0.000 0.286 1327 Y C 2.320 178.217 175.900 -0.004 0.000 1.155 1327 Y CA 1.504 59.627 58.100 0.039 0.000 1.164 1327 Y CB -0.645 37.867 38.460 0.087 0.000 0.978 1327 Y HN 0.072 nan 8.280 nan 0.000 0.513 1328 G N -1.554 107.203 108.800 -0.072 0.000 2.422 1328 G HA2 -0.218 3.734 3.960 -0.015 0.000 0.218 1328 G HA3 -0.218 3.734 3.960 -0.015 0.000 0.218 1328 G C 1.644 176.439 174.900 -0.175 0.000 1.140 1328 G CA 1.333 46.333 45.100 -0.166 0.000 0.775 1328 G HN 0.429 nan 8.290 nan 0.000 0.545 1329 T N 0.969 115.460 114.554 -0.105 0.000 2.821 1329 T HA -0.111 4.230 4.350 -0.015 0.000 0.267 1329 T C 2.208 176.836 174.700 -0.119 0.000 1.046 1329 T CA 1.299 63.346 62.100 -0.089 0.000 1.139 1329 T CB -0.337 68.506 68.868 -0.043 0.000 0.871 1329 T HN 0.447 nan 8.240 nan 0.000 0.454 1330 N N 0.824 119.435 118.700 -0.147 0.000 2.149 1330 N HA -0.021 4.711 4.740 -0.015 0.000 0.188 1330 N C 1.725 177.091 175.510 -0.240 0.000 1.019 1330 N CA 0.848 53.796 53.050 -0.169 0.000 0.857 1330 N CB -0.252 38.134 38.487 -0.167 0.000 0.997 1330 N HN 0.292 nan 8.380 nan 0.000 0.426 1331 L N 0.104 121.118 121.223 -0.349 0.000 2.068 1331 L HA -0.073 4.258 4.340 -0.015 0.000 0.204 1331 L C 2.206 178.940 176.870 -0.227 0.000 1.076 1331 L CA 0.584 55.218 54.840 -0.343 0.000 0.753 1331 L CB -0.483 41.313 42.059 -0.438 0.000 0.910 1331 L HN 0.050 nan 8.230 nan 0.000 0.439 1332 V N 0.692 120.494 119.914 -0.188 0.000 2.278 1332 V HA -0.336 3.775 4.120 -0.015 0.000 0.251 1332 V C 2.262 178.303 176.094 -0.088 0.000 1.062 1332 V CA 2.067 64.294 62.300 -0.122 0.000 1.038 1332 V CB -0.665 31.104 31.823 -0.089 0.000 0.646 1332 V HN 0.520 nan 8.190 nan 0.000 0.447 1333 N N -0.268 118.377 118.700 -0.092 0.000 2.188 1333 N HA -0.108 4.623 4.740 -0.015 0.000 0.184 1333 N C 1.654 177.126 175.510 -0.063 0.000 1.018 1333 N CA 1.152 54.164 53.050 -0.063 0.000 0.858 1333 N CB -0.505 37.948 38.487 -0.057 0.000 0.989 1333 N HN 0.411 nan 8.380 nan 0.000 0.426 1334 L N 1.124 122.290 121.223 -0.095 0.000 2.042 1334 L HA -0.053 4.278 4.340 -0.015 0.000 0.210 1334 L C 1.900 178.735 176.870 -0.059 0.000 1.076 1334 L CA 1.399 56.188 54.840 -0.085 0.000 0.749 1334 L CB -0.579 41.404 42.059 -0.126 0.000 0.893 1334 L HN 0.109 nan 8.230 nan 0.000 0.432 1335 L N -1.046 120.134 121.223 -0.070 0.000 2.156 1335 L HA -0.142 4.190 4.340 -0.015 0.000 0.208 1335 L C 2.557 179.458 176.870 0.052 0.000 1.095 1335 L CA 0.893 55.716 54.840 -0.028 0.000 0.770 1335 L CB -0.445 41.551 42.059 -0.104 0.000 0.914 1335 L HN 0.227 nan 8.230 nan 0.000 0.439 1336 K N -0.212 120.204 120.400 0.027 0.000 2.152 1336 K HA -0.197 4.114 4.320 -0.015 0.000 0.206 1336 K C 1.964 178.579 176.600 0.025 0.000 1.048 1336 K CA 1.156 57.464 56.287 0.034 0.000 0.933 1336 K CB -0.053 32.453 32.500 0.011 0.000 0.721 1336 K HN 0.115 nan 8.250 nan 0.000 0.447 1337 L N 0.362 121.593 121.223 0.012 0.000 2.270 1337 L HA -0.068 4.264 4.340 -0.015 0.000 0.210 1337 L C 1.692 178.575 176.870 0.023 0.000 1.104 1337 L CA 0.970 55.817 54.840 0.011 0.000 0.804 1337 L CB -0.051 42.007 42.059 -0.001 0.000 0.937 1337 L HN 0.069 nan 8.230 nan 0.000 0.450 1338 L N -1.767 119.476 121.223 0.033 0.000 2.341 1338 L HA 0.034 4.365 4.340 -0.015 0.000 0.214 1338 L C 0.975 177.882 176.870 0.063 0.000 1.115 1338 L CA 0.697 55.565 54.840 0.047 0.000 0.820 1338 L CB -0.608 41.478 42.059 0.045 0.000 0.944 1338 L HN 0.286 nan 8.230 nan 0.000 0.452 1339 C N -0.462 118.882 119.300 0.074 0.000 3.414 1339 C HA 0.279 4.730 4.460 -0.015 0.000 0.208 1339 C C 1.798 176.795 174.990 0.012 0.000 1.422 1339 C CA -0.806 58.245 59.018 0.055 0.000 1.437 1339 C CB -1.011 26.806 27.740 0.129 0.000 1.850 1339 C HN 0.327 nan 8.230 nan 0.000 0.481 1340 K N 0.524 120.926 120.400 0.003 0.000 2.147 1340 K HA -0.078 4.233 4.320 -0.015 0.000 0.205 1340 K C 1.585 178.174 176.600 -0.019 0.000 1.049 1340 K CA 1.471 57.756 56.287 -0.004 0.000 0.936 1340 K CB 0.134 32.633 32.500 -0.001 0.000 0.722 1340 K HN 0.670 nan 8.250 nan 0.000 0.446 1341 E N 0.189 120.369 120.200 -0.034 0.000 2.465 1341 E HA 0.042 4.383 4.350 -0.015 0.000 0.191 1341 E C -0.890 175.670 176.600 -0.066 0.000 1.053 1341 E CA -0.026 56.347 56.400 -0.044 0.000 0.869 1341 E CB 0.238 29.912 29.700 -0.043 0.000 0.977 1341 E HN 0.052 nan 8.360 nan 0.000 0.483 1342 K N 0.517 120.868 120.400 -0.081 0.000 3.393 1342 K HA -0.242 4.069 4.320 -0.015 0.000 0.272 1342 K C -0.261 176.235 176.600 -0.175 0.000 1.004 1342 K CA 0.674 56.892 56.287 -0.114 0.000 0.764 1342 K CB -1.024 31.436 32.500 -0.067 0.000 1.373 1342 K HN 0.136 nan 8.250 nan 0.000 0.458 1343 D N -1.294 118.953 120.400 -0.256 0.000 2.469 1343 D HA 0.150 4.781 4.640 -0.015 0.000 0.240 1343 D C 1.381 177.489 176.300 -0.320 0.000 1.087 1343 D CA 1.177 55.045 54.000 -0.221 0.000 0.876 1343 D CB 0.628 41.334 40.800 -0.157 0.000 1.160 1343 D HN 0.421 nan 8.370 nan 0.000 0.497 1344 G N 0.574 108.986 108.800 -0.647 0.000 2.199 1344 G HA2 -0.295 3.657 3.960 -0.015 0.000 0.254 1344 G HA3 -0.295 3.657 3.960 -0.015 0.000 0.254 1344 G C 0.253 174.902 174.900 -0.420 0.000 0.982 1344 G CA 0.374 44.992 45.100 -0.803 0.000 0.632 1344 G HN 0.475 nan 8.290 nan 0.000 0.529 1345 N N -0.468 118.083 118.700 -0.250 0.000 2.314 1345 N HA 0.717 5.449 4.740 -0.015 0.000 0.304 1345 N C -0.720 174.797 175.510 0.011 0.000 1.073 1345 N CA -0.674 52.337 53.050 -0.066 0.000 0.822 1345 N CB 1.233 39.684 38.487 -0.061 0.000 1.280 1345 N HN 0.155 nan 8.380 nan 0.000 0.489 1346 I N 1.459 122.065 120.570 0.060 0.000 2.377 1346 I HA 0.312 4.473 4.170 -0.015 0.000 0.293 1346 I C -0.348 175.786 176.117 0.029 0.000 0.987 1346 I CA -0.175 61.169 61.300 0.075 0.000 1.185 1346 I CB 1.807 39.862 38.000 0.091 0.000 1.341 1346 I HN 0.434 nan 8.210 nan 0.000 0.455 1347 T N 5.986 120.556 114.554 0.026 0.000 2.791 1347 T HA 0.293 4.634 4.350 -0.015 0.000 0.288 1347 T C -0.154 174.560 174.700 0.023 0.000 0.999 1347 T CA -0.438 61.670 62.100 0.013 0.000 0.952 1347 T CB 1.029 69.903 68.868 0.009 0.000 0.938 1347 T HN 0.191 nan 8.240 nan 0.000 0.444 1348 V N 3.791 123.709 119.914 0.007 0.000 2.153 1348 V HA 0.134 4.245 4.120 -0.015 0.000 0.250 1348 V C 0.784 176.911 176.094 0.054 0.000 1.334 1348 V CA -0.644 61.676 62.300 0.032 0.000 1.249 1348 V CB -0.477 31.338 31.823 -0.014 0.000 1.371 1348 V HN 0.819 nan 8.190 nan 0.000 0.498 1349 D N 2.859 123.320 120.400 0.101 0.000 2.359 1349 D HA 0.072 4.703 4.640 -0.015 0.000 0.250 1349 D C 0.651 177.106 176.300 0.258 0.000 1.264 1349 D CA -0.271 53.801 54.000 0.120 0.000 0.911 1349 D CB 0.664 41.509 40.800 0.075 0.000 1.056 1349 D HN 0.334 nan 8.370 nan 0.000 0.499 1350 F N 1.915 121.865 119.950 0.001 0.000 2.771 1350 F HA -0.043 4.475 4.527 -0.014 0.000 0.299 1350 F C 1.784 177.584 175.800 0.000 0.000 1.177 1350 F CA 0.169 58.170 58.000 0.002 0.000 1.450 1350 F CB 0.049 39.051 39.000 0.003 0.000 1.114 1350 F HN 0.389 nan 8.300 nan 0.000 0.587 1351 D N -0.831 119.661 120.400 0.153 0.000 2.249 1351 D HA -0.101 4.530 4.640 -0.015 0.000 0.205 1351 D C 0.670 176.990 176.300 0.032 0.000 0.962 1351 D CA 0.609 54.651 54.000 0.070 0.000 0.860 1351 D CB -0.137 40.696 40.800 0.055 0.000 0.955 1351 D HN 0.138 nan 8.370 nan 0.000 0.505 1352 D N 1.226 121.650 120.400 0.040 0.000 2.346 1352 D HA -0.024 4.608 4.640 -0.015 0.000 0.260 1352 D C 1.807 178.095 176.300 -0.019 0.000 1.252 1352 D CA -0.148 53.860 54.000 0.014 0.000 0.895 1352 D CB 1.468 42.283 40.800 0.026 0.000 1.097 1352 D HN -0.111 nan 8.370 nan 0.000 0.489 1353 V N 2.993 122.886 119.914 -0.035 0.000 2.469 1353 V HA -0.243 3.869 4.120 -0.015 0.000 0.251 1353 V C 2.177 178.229 176.094 -0.070 0.000 1.064 1353 V CA 1.859 64.121 62.300 -0.064 0.000 1.066 1353 V CB -1.322 30.472 31.823 -0.048 0.000 0.667 1353 V HN 0.512 nan 8.190 nan 0.000 0.461 1354 V N -0.688 119.201 119.914 -0.043 0.000 2.358 1354 V HA -0.149 3.962 4.120 -0.015 0.000 0.246 1354 V C 2.402 178.471 176.094 -0.043 0.000 1.047 1354 V CA 2.151 64.428 62.300 -0.038 0.000 1.035 1354 V CB -0.924 30.884 31.823 -0.024 0.000 0.658 1354 V HN 0.438 nan 8.190 nan 0.000 0.452 1355 I N 0.241 120.795 120.570 -0.027 0.000 2.252 1355 I HA -0.150 4.011 4.170 -0.015 0.000 0.245 1355 I C 2.846 178.924 176.117 -0.065 0.000 1.102 1355 I CA 1.903 63.205 61.300 0.004 0.000 1.385 1355 I CB -0.455 37.590 38.000 0.075 0.000 1.064 1355 I HN 0.307 nan 8.210 nan 0.000 0.414 1356 R N 1.636 122.005 120.500 -0.217 0.000 2.091 1356 R HA -0.130 4.201 4.340 -0.015 0.000 0.238 1356 R C 2.155 178.256 176.300 -0.330 0.000 1.136 1356 R CA 1.933 57.694 56.100 -0.564 0.000 0.959 1356 R CB -1.238 28.750 30.300 -0.519 0.000 0.856 1356 R HN 0.357 nan 8.270 nan 0.000 0.437 1357 G N -0.939 107.762 108.800 -0.164 0.000 2.402 1357 G HA2 -0.149 3.802 3.960 -0.015 0.000 0.216 1357 G HA3 -0.149 3.802 3.960 -0.015 0.000 0.216 1357 G C 1.330 176.217 174.900 -0.023 0.000 1.162 1357 G CA 0.860 45.914 45.100 -0.075 0.000 0.777 1357 G HN 0.255 nan 8.290 nan 0.000 0.539 1358 V N 0.990 120.885 119.914 -0.032 0.000 2.719 1358 V HA 0.006 4.117 4.120 -0.015 0.000 0.252 1358 V C 1.424 177.524 176.094 0.010 0.000 1.065 1358 V CA 1.236 63.521 62.300 -0.024 0.000 1.086 1358 V CB -0.385 31.409 31.823 -0.048 0.000 0.700 1358 V HN 0.196 nan 8.190 nan 0.000 0.467 1359 T N 1.680 116.261 114.554 0.044 0.000 2.738 1359 T HA 0.225 4.566 4.350 -0.015 0.000 0.294 1359 T C 0.997 175.795 174.700 0.163 0.000 0.914 1359 T CA 0.393 62.572 62.100 0.133 0.000 1.052 1359 T CB 1.200 70.255 68.868 0.312 0.000 0.897 1359 T HN 0.312 nan 8.240 nan 0.000 0.522 1360 V N 1.672 121.670 119.914 0.140 0.000 3.431 1360 V HA 0.513 4.624 4.120 -0.015 0.000 0.253 1360 V C 0.440 176.640 176.094 0.176 0.000 1.184 1360 V CA 0.333 62.745 62.300 0.187 0.000 1.104 1360 V CB -0.171 31.688 31.823 0.061 0.000 0.799 1360 V HN 0.674 nan 8.190 nan 0.000 0.462 1361 I N 0.821 121.469 120.570 0.130 0.000 2.647 1361 I HA 0.607 4.768 4.170 -0.015 0.000 0.295 1361 I C -0.536 175.645 176.117 0.106 0.000 1.078 1361 I CA -0.762 60.606 61.300 0.114 0.000 1.048 1361 I CB 2.533 40.576 38.000 0.071 0.000 1.239 1361 I HN 0.065 nan 8.210 nan 0.000 0.421 1362 R N 4.559 125.109 120.500 0.085 0.000 2.518 1362 R HA 0.580 4.912 4.340 -0.015 0.000 0.296 1362 R C -0.152 176.145 176.300 -0.004 0.000 1.080 1362 R CA -0.026 56.089 56.100 0.026 0.000 0.922 1362 R CB 1.659 31.942 30.300 -0.028 0.000 1.184 1362 R HN 0.920 nan 8.270 nan 0.000 0.445 1363 A N 2.815 125.630 122.820 -0.009 0.000 2.832 1363 A HA -0.197 4.114 4.320 -0.015 0.000 0.280 1363 A C 1.061 178.647 177.584 0.003 0.000 1.464 1363 A CA 1.644 53.675 52.037 -0.011 0.000 0.804 1363 A CB -2.061 16.920 19.000 -0.032 0.000 1.020 1363 A HN 1.830 nan 8.150 nan 0.000 0.563 1364 G N -1.947 106.864 108.800 0.017 0.000 2.195 1364 G HA2 -0.221 3.730 3.960 -0.015 0.000 0.246 1364 G HA3 -0.221 3.730 3.960 -0.015 0.000 0.246 1364 G C -0.098 174.823 174.900 0.035 0.000 0.984 1364 G CA 1.001 46.116 45.100 0.024 0.000 0.633 1364 G HN 1.752 nan 8.290 nan 0.000 0.525 1365 E N 0.767 120.991 120.200 0.040 0.000 2.134 1365 E HA 0.504 4.846 4.350 -0.015 0.000 0.278 1365 E C 0.407 177.062 176.600 0.092 0.000 0.959 1365 E CA -0.948 55.486 56.400 0.058 0.000 0.783 1365 E CB 0.408 30.137 29.700 0.047 0.000 1.095 1365 E HN 0.336 nan 8.360 nan 0.000 0.399 1366 I N 4.535 125.170 120.570 0.108 0.000 2.664 1366 I HA -0.083 4.078 4.170 -0.015 0.000 0.284 1366 I C 1.310 177.534 176.117 0.177 0.000 1.154 1366 I CA 0.599 61.993 61.300 0.157 0.000 1.402 1366 I CB 0.549 38.653 38.000 0.174 0.000 1.395 1366 I HN 0.586 nan 8.210 nan 0.000 0.545 1367 T N 1.140 115.826 114.554 0.219 0.000 3.044 1367 T HA 0.057 4.398 4.350 -0.015 0.000 0.260 1367 T C -0.223 174.601 174.700 0.206 0.000 1.019 1367 T CA -0.487 61.746 62.100 0.222 0.000 0.921 1367 T CB -0.146 68.922 68.868 0.333 0.000 1.053 1367 T HN 0.578 nan 8.240 nan 0.000 0.533 1368 W N 4.167 125.496 121.300 0.048 0.000 2.381 1368 W HA 0.568 5.222 4.660 -0.011 0.000 0.329 1368 W C -2.584 173.951 176.519 0.026 0.000 1.157 1368 W CA -2.034 55.325 57.345 0.024 0.000 1.240 1368 W CB 0.942 30.418 29.460 0.027 0.000 1.199 1368 W HN -0.105 nan 8.180 nan 0.000 0.579 1369 P HA 0.396 nan 4.420 nan 0.000 0.284 1369 P C -0.915 176.146 177.300 -0.398 0.000 1.258 1369 P CA -0.414 62.008 63.100 -1.130 0.000 0.824 1369 P CB 1.287 32.179 31.700 -1.347 0.000 1.038 1370 A N 3.723 126.417 122.820 -0.211 0.000 2.406 1370 A HA 0.463 4.774 4.320 -0.015 0.000 0.243 1370 A C -1.828 175.666 177.584 -0.149 0.000 1.082 1370 A CA -0.746 51.196 52.037 -0.157 0.000 0.786 1370 A CB -1.638 17.287 19.000 -0.127 0.000 1.029 1370 A HN 0.476 nan 8.150 nan 0.000 0.495 1371 P HA 0.376 nan 4.420 nan 0.000 0.272 1371 P C -2.053 175.201 177.300 -0.076 0.000 1.230 1371 P CA -0.776 62.267 63.100 -0.096 0.000 0.788 1371 P CB -0.734 30.919 31.700 -0.078 0.000 0.949 1372 P HA 0.000 nan 4.420 nan 0.000 0.216 1372 P CA 0.000 63.075 63.100 -0.042 0.000 0.800 1372 P CB 0.000 31.679 31.700 -0.035 0.000 0.726