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 1nd6_1_B DATA FIRST_RESID 1000 DATA SEQUENCE KELKFVTLVF RHGDRSPIDT FPTDPIKESS WPQGFGQLTQ LGMEQHYELG DATA SEQUENCE EYIRKRYRKF LNESYKHEQV YIRSTDVDRT LMSAMTNLAA LFPPEGVSIW DATA SEQUENCE NPILLWQPIP VHTVPLSEDQ LLYLPFRNcP RFQELESETL KSEEFQKRLH DATA SEQUENCE PYKDFIATLG KLSGLHGQDL FGIWSKVYDP LYCESVHNFT LPSWATEDTM DATA SEQUENCE TKLRELSELS LLSLYGIHKQ KEKSRLQGGV LVNEILNHMK RATQIPSYKK DATA SEQUENCE LIMYSAHDTT VSGLQMALDV YNGLLPPYAS CHLTELYFEK GEYFVEMYYR DATA SEQUENCE NETQHEPYPL MLPGcSPScP LERFAELVGP VIPQDWSTEc MTT 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 K HA 0.000 nan 4.320 nan 0.000 0.191 1000 K C 0.000 176.673 176.600 0.122 0.000 0.988 1000 K CA 0.000 56.274 56.287 -0.021 0.000 0.838 1000 K CB 0.000 32.432 32.500 -0.114 0.000 1.064 1001 E N 5.121 125.460 120.200 0.232 0.000 2.241 1001 E HA 0.238 4.588 4.350 0.000 0.000 0.263 1001 E C -1.345 175.420 176.600 0.275 0.000 0.882 1001 E CA -0.950 55.612 56.400 0.270 0.000 0.769 1001 E CB 1.261 31.119 29.700 0.263 0.000 1.185 1001 E HN 0.507 nan 8.360 nan 0.000 0.415 1002 L N 4.831 126.116 121.223 0.102 0.000 2.462 1002 L HA 0.164 4.504 4.340 0.000 0.000 0.272 1002 L C 0.322 177.028 176.870 -0.273 0.000 1.166 1002 L CA 0.643 55.215 54.840 -0.448 0.000 0.880 1002 L CB 0.597 42.223 42.059 -0.722 0.000 1.142 1002 L HN 0.594 nan 8.230 nan 0.000 0.473 1003 K N 4.779 125.067 120.400 -0.188 0.000 2.424 1003 K HA 0.268 4.588 4.320 0.000 0.000 0.198 1003 K C -0.551 176.237 176.600 0.313 0.000 1.190 1003 K CA 0.379 56.770 56.287 0.174 0.000 0.935 1003 K CB 0.571 33.255 32.500 0.307 0.000 1.087 1003 K HN 0.526 nan 8.250 nan 0.000 0.524 1004 F N 0.017 119.897 119.950 -0.117 0.000 2.654 1004 F HA 0.487 5.014 4.527 0.000 0.000 0.308 1004 F C -1.846 173.850 175.800 -0.174 0.000 1.108 1004 F CA -1.264 56.744 58.000 0.013 0.000 0.957 1004 F CB 1.531 40.572 39.000 0.068 0.000 1.309 1004 F HN -0.299 nan 8.300 nan 0.000 0.446 1005 V N 3.218 122.410 119.914 -1.204 0.000 3.012 1005 V HA 0.810 4.931 4.120 0.000 0.000 0.307 1005 V C -1.594 173.944 176.094 -0.926 0.000 1.166 1005 V CA -0.008 61.771 62.300 -0.868 0.000 0.974 1005 V CB 2.291 33.720 31.823 -0.657 0.000 1.040 1005 V HN 0.959 nan 8.190 nan 0.000 0.428 1006 T N 6.955 121.290 114.554 -0.366 0.000 2.861 1006 T HA 0.688 5.039 4.350 0.000 0.000 0.287 1006 T C -1.039 173.744 174.700 0.137 0.000 1.003 1006 T CA -0.362 61.708 62.100 -0.051 0.000 0.977 1006 T CB 1.288 70.295 68.868 0.232 0.000 0.996 1006 T HN 0.648 nan 8.240 nan 0.000 0.448 1007 L N 2.902 124.245 121.223 0.201 0.000 2.362 1007 L HA 0.760 5.100 4.340 0.000 0.000 0.275 1007 L C -0.974 176.034 176.870 0.229 0.000 0.998 1007 L CA -1.108 53.903 54.840 0.285 0.000 0.820 1007 L CB 2.129 44.415 42.059 0.378 0.000 1.270 1007 L HN 0.322 nan 8.230 nan 0.000 0.415 1008 V N 3.953 124.025 119.914 0.264 0.000 2.419 1008 V HA 0.450 4.570 4.120 0.000 0.000 0.287 1008 V C -0.694 175.524 176.094 0.206 0.000 1.017 1008 V CA -0.477 61.900 62.300 0.128 0.000 0.844 1008 V CB 1.111 33.039 31.823 0.174 0.000 1.011 1008 V HN 0.533 nan 8.190 nan 0.000 0.429 1009 F N 2.078 122.211 119.950 0.305 0.000 2.593 1009 F HA 0.849 5.376 4.527 0.000 0.000 0.320 1009 F C -0.296 175.659 175.800 0.259 0.000 1.060 1009 F CA -1.784 56.395 58.000 0.298 0.000 0.940 1009 F CB 1.355 40.551 39.000 0.327 0.000 1.268 1009 F HN 0.382 nan 8.300 nan 0.000 0.475 1010 R N 0.739 121.558 120.500 0.532 0.000 2.500 1010 R HA 0.360 4.700 4.340 0.000 0.000 0.277 1010 R C -0.267 176.284 176.300 0.419 0.000 1.026 1010 R CA -0.587 55.707 56.100 0.324 0.000 1.058 1010 R CB 0.559 30.959 30.300 0.167 0.000 1.078 1010 R HN 0.968 nan 8.270 nan 0.000 0.509 1011 H N 0.654 119.967 119.070 0.405 0.000 2.871 1011 H HA 0.256 4.812 4.556 0.000 0.000 0.377 1011 H C 0.570 176.158 175.328 0.433 0.000 1.307 1011 H CA -0.058 56.199 56.048 0.348 0.000 1.449 1011 H CB 0.156 30.003 29.762 0.142 0.000 1.452 1011 H HN 0.732 nan 8.280 nan 0.000 0.619 1012 G N -0.507 108.607 108.800 0.523 0.000 2.588 1012 G HA2 0.038 3.998 3.960 0.000 0.000 0.278 1012 G HA3 0.038 3.998 3.960 0.000 0.000 0.278 1012 G C -0.460 174.369 174.900 -0.117 0.000 1.307 1012 G CA -0.275 44.996 45.100 0.284 0.000 1.016 1012 G HN 0.941 nan 8.290 nan 0.000 0.503 1013 D N -0.097 119.999 120.400 -0.507 0.000 2.533 1013 D HA 0.071 4.712 4.640 0.000 0.000 0.236 1013 D C 0.569 176.606 176.300 -0.439 0.000 1.137 1013 D CA 0.481 53.824 54.000 -1.095 0.000 0.867 1013 D CB 0.478 41.052 40.800 -0.376 0.000 1.170 1013 D HN 0.525 nan 8.370 nan 0.000 0.474 1014 R N 0.513 120.780 120.500 -0.388 0.000 2.869 1014 R HA 0.546 4.886 4.340 0.000 0.000 0.263 1014 R C -0.302 175.881 176.300 -0.195 0.000 1.066 1014 R CA -0.992 55.021 56.100 -0.146 0.000 0.960 1014 R CB 0.686 30.934 30.300 -0.087 0.000 1.221 1014 R HN 0.347 nan 8.270 nan 0.000 0.474 1015 S N 0.573 116.061 115.700 -0.353 0.000 2.624 1015 S HA 0.428 4.898 4.470 0.000 0.000 0.263 1015 S C -2.028 172.188 174.600 -0.640 0.000 1.287 1015 S CA -1.155 56.508 58.200 -0.895 0.000 0.990 1015 S CB 0.608 63.320 63.200 -0.813 0.000 0.950 1015 S HN 0.590 nan 8.310 nan 0.000 0.561 1016 P HA 0.207 nan 4.420 nan 0.000 0.272 1016 P C 0.451 177.409 177.300 -0.571 0.000 1.223 1016 P CA -0.372 62.391 63.100 -0.561 0.000 0.784 1016 P CB 0.485 31.817 31.700 -0.614 0.000 0.923 1017 I N -0.324 119.983 120.570 -0.438 0.000 2.617 1017 I HA -0.030 4.140 4.170 0.000 0.000 0.256 1017 I C 0.831 176.625 176.117 -0.538 0.000 1.167 1017 I CA 1.457 62.556 61.300 -0.336 0.000 1.469 1017 I CB -0.134 37.745 38.000 -0.201 0.000 1.098 1017 I HN 0.445 nan 8.210 nan 0.000 0.436 1018 D N -1.695 118.216 120.400 -0.814 0.000 2.742 1018 D HA 0.228 4.869 4.640 0.000 0.000 0.262 1018 D C -0.900 174.975 176.300 -0.709 0.000 1.240 1018 D CA -0.327 53.156 54.000 -0.862 0.000 0.752 1018 D CB 1.501 42.094 40.800 -0.345 0.000 1.290 1018 D HN -0.168 nan 8.370 nan 0.000 0.420 1019 T N 0.407 114.641 114.554 -0.534 0.000 2.883 1019 T HA 0.628 4.978 4.350 0.000 0.000 0.296 1019 T C -0.796 173.780 174.700 -0.206 0.000 1.117 1019 T CA -0.797 61.082 62.100 -0.368 0.000 1.006 1019 T CB 0.222 68.799 68.868 -0.485 0.000 1.191 1019 T HN 0.311 nan 8.240 nan 0.000 0.508 1020 F N 1.485 121.424 119.950 -0.018 0.000 2.545 1020 F HA 0.427 4.954 4.527 0.000 0.000 0.348 1020 F C -1.836 173.982 175.800 0.029 0.000 1.163 1020 F CA -1.954 56.048 58.000 0.003 0.000 1.331 1020 F CB -0.824 38.197 39.000 0.035 0.000 1.138 1020 F HN 0.352 nan 8.300 nan 0.000 0.602 1021 P HA -0.149 nan 4.420 nan 0.000 0.217 1021 P C 1.215 178.619 177.300 0.173 0.000 1.148 1021 P CA 1.839 65.013 63.100 0.124 0.000 0.828 1021 P CB -0.048 31.706 31.700 0.090 0.000 0.783 1022 T N -1.669 113.130 114.554 0.408 0.000 3.113 1022 T HA -0.026 4.324 4.350 0.000 0.000 0.256 1022 T C 0.546 175.507 174.700 0.434 0.000 1.131 1022 T CA 0.276 62.641 62.100 0.440 0.000 1.074 1022 T CB -0.690 68.447 68.868 0.448 0.000 0.944 1022 T HN 0.063 nan 8.240 nan 0.000 0.516 1023 D N 1.695 122.083 120.400 -0.019 0.000 2.343 1023 D HA 0.100 4.740 4.640 0.000 0.000 0.255 1023 D C -1.705 174.549 176.300 -0.077 0.000 1.187 1023 D CA -2.054 51.774 54.000 -0.287 0.000 0.875 1023 D CB 1.801 41.985 40.800 -1.027 0.000 1.136 1023 D HN 0.059 nan 8.370 nan 0.000 0.469 1024 P HA 0.067 nan 4.420 nan 0.000 0.222 1024 P C 0.283 177.564 177.300 -0.033 0.000 1.153 1024 P CA 0.547 63.656 63.100 0.014 0.000 0.798 1024 P CB 0.184 31.912 31.700 0.047 0.000 0.796 1025 I N 0.452 120.972 120.570 -0.084 0.000 2.293 1025 I HA 0.063 4.233 4.170 0.000 0.000 0.299 1025 I C 0.705 176.800 176.117 -0.037 0.000 1.153 1025 I CA -0.118 61.093 61.300 -0.148 0.000 1.302 1025 I CB -0.286 37.516 38.000 -0.330 0.000 1.460 1025 I HN -0.096 nan 8.210 nan 0.000 0.552 1026 K N 3.763 124.154 120.400 -0.015 0.000 2.148 1026 K HA 0.177 4.497 4.320 0.000 0.000 0.239 1026 K C 1.129 177.717 176.600 -0.020 0.000 1.018 1026 K CA -0.663 55.647 56.287 0.038 0.000 0.923 1026 K CB 1.127 33.615 32.500 -0.019 0.000 1.117 1026 K HN 0.381 nan 8.250 nan 0.000 0.477 1027 E N 0.633 120.612 120.200 -0.370 0.000 2.169 1027 E HA -0.263 4.087 4.350 0.000 0.000 0.202 1027 E C 1.161 177.613 176.600 -0.247 0.000 1.016 1027 E CA 1.911 57.835 56.400 -0.794 0.000 0.817 1027 E CB 0.033 29.042 29.700 -1.151 0.000 0.736 1027 E HN 0.518 nan 8.360 nan 0.000 0.462 1028 S N -0.188 115.414 115.700 -0.163 0.000 2.442 1028 S HA -0.097 4.373 4.470 0.000 0.000 0.236 1028 S C 1.882 176.443 174.600 -0.065 0.000 1.007 1028 S CA 0.925 59.069 58.200 -0.093 0.000 0.965 1028 S CB -0.026 63.128 63.200 -0.076 0.000 0.773 1028 S HN 0.230 nan 8.310 nan 0.000 0.504 1029 S N 0.014 115.661 115.700 -0.088 0.000 2.453 1029 S HA 0.013 4.483 4.470 0.000 0.000 0.231 1029 S C -0.032 174.401 174.600 -0.279 0.000 1.005 1029 S CA 0.407 58.496 58.200 -0.185 0.000 0.949 1029 S CB -0.057 62.927 63.200 -0.361 0.000 0.774 1029 S HN 0.570 nan 8.310 nan 0.000 0.510 1030 W N 1.501 122.771 121.300 -0.049 0.000 2.349 1030 W HA 0.384 5.044 4.660 0.000 0.000 0.309 1030 W C -2.001 174.486 176.519 -0.055 0.000 1.083 1030 W CA -2.340 54.988 57.345 -0.029 0.000 1.224 1030 W CB 0.102 29.535 29.460 -0.045 0.000 1.256 1030 W HN -0.016 nan 8.180 nan 0.000 0.461 1031 P HA -0.288 nan 4.420 nan 0.000 0.219 1031 P C 0.949 178.280 177.300 0.053 0.000 1.161 1031 P CA 2.053 65.190 63.100 0.062 0.000 0.909 1031 P CB 0.363 32.095 31.700 0.053 0.000 0.793 1032 Q N -1.831 118.016 119.800 0.077 0.000 2.219 1032 Q HA 0.401 4.741 4.340 0.000 0.000 0.209 1032 Q C 0.853 176.862 176.000 0.016 0.000 0.854 1032 Q CA 0.480 56.302 55.803 0.032 0.000 0.960 1032 Q CB 0.279 29.030 28.738 0.022 0.000 1.116 1032 Q HN 0.230 nan 8.270 nan 0.000 0.500 1033 G N 0.142 108.964 108.800 0.036 0.000 2.725 1033 G HA2 -0.259 3.701 3.960 0.000 0.000 0.220 1033 G HA3 -0.259 3.701 3.960 0.000 0.000 0.220 1033 G C -0.489 174.394 174.900 -0.029 0.000 1.357 1033 G CA -0.888 44.167 45.100 -0.075 0.000 0.866 1033 G HN 0.209 nan 8.290 nan 0.000 0.548 1034 F N 1.146 121.027 119.950 -0.115 0.000 2.496 1034 F HA 0.337 4.864 4.527 0.000 0.000 0.344 1034 F C 1.914 177.605 175.800 -0.181 0.000 1.155 1034 F CA 0.851 58.720 58.000 -0.218 0.000 1.302 1034 F CB 0.764 39.660 39.000 -0.174 0.000 1.159 1034 F HN 1.712 nan 8.300 nan 0.000 0.595 1035 G N 1.770 110.561 108.800 -0.014 0.000 2.233 1035 G HA2 -0.315 3.645 3.960 0.000 0.000 0.270 1035 G HA3 -0.315 3.645 3.960 0.000 0.000 0.270 1035 G C -0.360 174.490 174.900 -0.083 0.000 1.011 1035 G CA -0.004 45.055 45.100 -0.069 0.000 0.762 1035 G HN 0.535 nan 8.290 nan 0.000 0.511 1036 Q N -1.221 118.529 119.800 -0.083 0.000 2.257 1036 Q HA 0.749 5.089 4.340 0.000 0.000 0.262 1036 Q C 0.179 176.132 176.000 -0.078 0.000 0.997 1036 Q CA -1.016 54.746 55.803 -0.068 0.000 0.873 1036 Q CB 1.387 30.108 28.738 -0.029 0.000 1.312 1036 Q HN 0.377 nan 8.270 nan 0.000 0.450 1037 L N 1.929 123.116 121.223 -0.061 0.000 2.416 1037 L HA 0.337 4.677 4.340 0.000 0.000 0.272 1037 L C 0.004 176.871 176.870 -0.005 0.000 1.161 1037 L CA 0.515 55.334 54.840 -0.036 0.000 0.845 1037 L CB 0.591 42.641 42.059 -0.015 0.000 1.119 1037 L HN 0.852 nan 8.230 nan 0.000 0.464 1038 T N 0.977 115.541 114.554 0.016 0.000 2.849 1038 T HA 0.267 4.617 4.350 0.000 0.000 0.276 1038 T C 0.837 175.577 174.700 0.066 0.000 0.971 1038 T CA -0.545 61.594 62.100 0.065 0.000 0.949 1038 T CB 0.780 69.739 68.868 0.151 0.000 1.093 1038 T HN 0.631 nan 8.240 nan 0.000 0.545 1039 Q N -0.304 119.542 119.800 0.078 0.000 2.084 1039 Q HA -0.061 4.279 4.340 0.000 0.000 0.202 1039 Q C 2.154 178.189 176.000 0.058 0.000 0.978 1039 Q CA 0.973 56.805 55.803 0.049 0.000 0.844 1039 Q CB -0.854 27.909 28.738 0.041 0.000 0.898 1039 Q HN 0.661 nan 8.270 nan 0.000 0.426 1040 L N 1.008 122.289 121.223 0.096 0.000 2.079 1040 L HA -0.065 4.275 4.340 0.000 0.000 0.210 1040 L C 2.084 178.993 176.870 0.065 0.000 1.081 1040 L CA 2.246 57.133 54.840 0.078 0.000 0.752 1040 L CB -0.926 41.190 42.059 0.095 0.000 0.896 1040 L HN 0.215 nan 8.230 nan 0.000 0.433 1041 G N -0.890 107.947 108.800 0.062 0.000 2.408 1041 G HA2 -0.249 3.712 3.960 0.000 0.000 0.217 1041 G HA3 -0.249 3.712 3.960 0.000 0.000 0.217 1041 G C 1.501 176.471 174.900 0.116 0.000 1.150 1041 G CA 0.974 46.109 45.100 0.058 0.000 0.776 1041 G HN 0.432 nan 8.290 nan 0.000 0.542 1042 M N 0.101 119.755 119.600 0.089 0.000 2.132 1042 M HA 0.027 4.507 4.480 0.000 0.000 0.263 1042 M C 2.434 178.810 176.300 0.128 0.000 1.065 1042 M CA 1.244 56.605 55.300 0.101 0.000 1.122 1042 M CB -0.310 32.315 32.600 0.042 0.000 1.365 1042 M HN 0.217 nan 8.290 nan 0.000 0.411 1043 E N 0.328 120.577 120.200 0.080 0.000 2.097 1043 E HA -0.260 4.090 4.350 0.000 0.000 0.196 1043 E C 2.092 178.764 176.600 0.121 0.000 1.000 1043 E CA 1.455 57.907 56.400 0.086 0.000 0.804 1043 E CB -0.157 29.570 29.700 0.044 0.000 0.740 1043 E HN 0.592 nan 8.360 nan 0.000 0.454 1044 Q N -0.604 119.248 119.800 0.086 0.000 2.084 1044 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 1044 Q C 1.881 177.859 176.000 -0.036 0.000 0.978 1044 Q CA 1.336 57.156 55.803 0.029 0.000 0.844 1044 Q CB -0.147 28.604 28.738 0.022 0.000 0.898 1044 Q HN 0.421 nan 8.270 nan 0.000 0.426 1045 H N -1.451 117.644 119.070 0.042 0.000 2.470 1045 H HA -0.072 4.485 4.556 0.000 0.000 0.289 1045 H C 1.367 176.704 175.328 0.016 0.000 1.033 1045 H CA 0.861 56.897 56.048 -0.020 0.000 1.331 1045 H CB 0.210 29.945 29.762 -0.045 0.000 1.414 1045 H HN 0.250 nan 8.280 nan 0.000 0.545 1046 Y N 1.138 121.479 120.300 0.068 0.000 2.242 1046 Y HA -0.164 4.386 4.550 0.000 0.000 0.291 1046 Y C 2.513 178.422 175.900 0.015 0.000 1.137 1046 Y CA 1.397 59.523 58.100 0.045 0.000 1.181 1046 Y CB 0.237 38.721 38.460 0.041 0.000 0.989 1046 Y HN 0.163 nan 8.280 nan 0.000 0.527 1047 E N 0.448 120.715 120.200 0.113 0.000 2.072 1047 E HA -0.197 4.153 4.350 0.000 0.000 0.191 1047 E C 2.288 178.868 176.600 -0.034 0.000 0.985 1047 E CA 0.990 57.410 56.400 0.032 0.000 0.801 1047 E CB -0.427 29.299 29.700 0.044 0.000 0.750 1047 E HN 0.593 nan 8.360 nan 0.000 0.452 1048 L N 0.239 121.414 121.223 -0.080 0.000 2.083 1048 L HA -0.108 4.232 4.340 0.000 0.000 0.209 1048 L C 2.322 179.163 176.870 -0.049 0.000 1.083 1048 L CA 1.676 56.461 54.840 -0.092 0.000 0.752 1048 L CB -0.669 41.231 42.059 -0.266 0.000 0.899 1048 L HN 0.216 nan 8.230 nan 0.000 0.433 1049 G N -1.017 107.718 108.800 -0.108 0.000 2.443 1049 G HA2 -0.235 3.725 3.960 0.000 0.000 0.219 1049 G HA3 -0.235 3.725 3.960 0.000 0.000 0.219 1049 G C 1.359 176.145 174.900 -0.189 0.000 1.131 1049 G CA 0.440 45.454 45.100 -0.144 0.000 0.775 1049 G HN 0.442 nan 8.290 nan 0.000 0.547 1050 E N -0.803 119.280 120.200 -0.196 0.000 2.072 1050 E HA -0.104 4.247 4.350 0.000 0.000 0.190 1050 E C 2.011 178.544 176.600 -0.111 0.000 0.982 1050 E CA 0.716 57.010 56.400 -0.176 0.000 0.803 1050 E CB -0.210 29.404 29.700 -0.143 0.000 0.755 1050 E HN 0.560 nan 8.360 nan 0.000 0.453 1051 Y N 1.398 121.608 120.300 -0.150 0.000 2.145 1051 Y HA -0.185 4.366 4.550 0.000 0.000 0.286 1051 Y C 1.932 177.720 175.900 -0.188 0.000 1.145 1051 Y CA 1.417 59.430 58.100 -0.146 0.000 1.148 1051 Y CB -0.174 38.211 38.460 -0.124 0.000 0.981 1051 Y HN -0.063 nan 8.280 nan 0.000 0.507 1052 I N 0.178 120.627 120.570 -0.203 0.000 2.335 1052 I HA -0.320 3.850 4.170 0.000 0.000 0.251 1052 I C 2.733 178.654 176.117 -0.328 0.000 1.129 1052 I CA 1.569 62.697 61.300 -0.287 0.000 1.402 1052 I CB -0.448 37.553 38.000 0.000 0.000 1.069 1052 I HN 0.220 nan 8.210 nan 0.000 0.424 1053 R N 1.410 121.750 120.500 -0.265 0.000 2.066 1053 R HA -0.158 4.182 4.340 0.000 0.000 0.232 1053 R C 2.288 178.454 176.300 -0.223 0.000 1.131 1053 R CA 1.422 57.388 56.100 -0.225 0.000 0.955 1053 R CB 0.016 30.182 30.300 -0.223 0.000 0.851 1053 R HN 0.276 nan 8.270 nan 0.000 0.432 1054 K N -0.029 120.198 120.400 -0.288 0.000 2.057 1054 K HA -0.171 4.150 4.320 0.000 0.000 0.206 1054 K C 2.226 178.614 176.600 -0.353 0.000 1.050 1054 K CA 1.327 57.455 56.287 -0.265 0.000 0.935 1054 K CB -0.229 32.122 32.500 -0.248 0.000 0.715 1054 K HN 0.143 nan 8.250 nan 0.000 0.439 1055 R N 0.345 120.454 120.500 -0.652 0.000 2.152 1055 R HA -0.143 4.198 4.340 0.000 0.000 0.232 1055 R C 0.506 176.475 176.300 -0.553 0.000 1.117 1055 R CA 1.440 57.076 56.100 -0.773 0.000 0.981 1055 R CB 0.104 29.634 30.300 -1.283 0.000 0.870 1055 R HN 0.321 nan 8.270 nan 0.000 0.451 1056 Y N -0.005 120.221 120.300 -0.123 0.000 2.716 1056 Y HA 0.201 4.751 4.550 0.000 0.000 0.260 1056 Y C 1.250 177.170 175.900 0.034 0.000 1.141 1056 Y CA -0.864 57.248 58.100 0.020 0.000 1.168 1056 Y CB 0.525 39.052 38.460 0.112 0.000 1.189 1056 Y HN 0.060 nan 8.280 nan 0.000 0.549 1057 R N 0.531 121.076 120.500 0.075 0.000 2.103 1057 R HA -0.199 4.141 4.340 0.000 0.000 0.242 1057 R C 1.396 177.751 176.300 0.091 0.000 1.142 1057 R CA 1.803 57.931 56.100 0.047 0.000 0.960 1057 R CB -0.298 30.000 30.300 -0.003 0.000 0.858 1057 R HN 0.227 nan 8.270 nan 0.000 0.439 1058 K N -0.333 120.143 120.400 0.126 0.000 2.044 1058 K HA -0.068 4.252 4.320 0.000 0.000 0.204 1058 K C 1.981 178.693 176.600 0.187 0.000 1.049 1058 K CA 1.212 57.580 56.287 0.135 0.000 0.945 1058 K CB -0.283 32.297 32.500 0.134 0.000 0.724 1058 K HN 0.052 nan 8.250 nan 0.000 0.440 1059 F N 1.601 121.600 119.950 0.081 0.000 2.095 1059 F HA -0.147 4.380 4.527 0.000 0.000 0.298 1059 F C 0.864 176.690 175.800 0.044 0.000 1.104 1059 F CA 1.157 59.185 58.000 0.046 0.000 1.232 1059 F CB 0.074 39.072 39.000 -0.004 0.000 0.987 1059 F HN -0.106 nan 8.300 nan 0.000 0.475 1060 L N 2.714 123.952 121.223 0.025 0.000 2.923 1060 L HA 0.145 4.485 4.340 0.000 0.000 0.231 1060 L C 0.891 177.787 176.870 0.043 0.000 1.300 1060 L CA -0.044 54.778 54.840 -0.029 0.000 1.184 1060 L CB -1.177 40.948 42.059 0.110 0.000 1.511 1060 L HN 0.301 nan 8.230 nan 0.000 0.448 1061 N N -0.122 118.582 118.700 0.006 0.000 2.434 1061 N HA -0.052 4.688 4.740 0.000 0.000 0.196 1061 N C -0.244 175.279 175.510 0.021 0.000 1.183 1061 N CA 0.078 53.144 53.050 0.026 0.000 0.849 1061 N CB 0.439 38.939 38.487 0.022 0.000 0.992 1061 N HN 0.461 nan 8.380 nan 0.000 0.460 1062 E N 0.466 120.678 120.200 0.021 0.000 2.235 1062 E HA 0.132 4.483 4.350 0.000 0.000 0.252 1062 E C -1.168 175.472 176.600 0.065 0.000 0.886 1062 E CA -0.497 55.906 56.400 0.005 0.000 0.767 1062 E CB 1.492 31.154 29.700 -0.064 0.000 1.205 1062 E HN 0.031 nan 8.360 nan 0.000 0.421 1063 S N 3.452 119.211 115.700 0.099 0.000 2.596 1063 S HA -0.119 4.351 4.470 0.000 0.000 0.298 1063 S C -0.157 174.453 174.600 0.017 0.000 1.255 1063 S CA -0.073 58.243 58.200 0.193 0.000 1.083 1063 S CB -0.250 63.043 63.200 0.154 0.000 0.837 1063 S HN 0.493 nan 8.310 nan 0.000 0.499 1064 Y N 4.226 124.325 120.300 -0.335 0.000 2.963 1064 Y HA -0.243 4.307 4.550 0.000 0.000 0.398 1064 Y C -0.261 175.414 175.900 -0.374 0.000 1.012 1064 Y CA 1.195 58.834 58.100 -0.770 0.000 1.488 1064 Y CB 0.028 37.946 38.460 -0.904 0.000 0.976 1064 Y HN 0.706 nan 8.280 nan 0.000 0.532 1065 K N 4.940 124.489 120.400 -1.418 0.000 2.565 1065 K HA 0.134 4.455 4.320 0.000 0.000 0.251 1065 K C 0.255 176.239 176.600 -1.025 0.000 0.956 1065 K CA -0.305 55.328 56.287 -1.089 0.000 0.809 1065 K CB 1.147 33.302 32.500 -0.575 0.000 1.267 1065 K HN 0.828 nan 8.250 nan 0.000 0.438 1066 H N 0.182 118.812 119.070 -0.734 0.000 2.489 1066 H HA -0.030 4.526 4.556 0.000 0.000 0.295 1066 H C 1.044 176.292 175.328 -0.133 0.000 1.082 1066 H CA 1.222 57.132 56.048 -0.230 0.000 1.295 1066 H CB 0.354 30.089 29.762 -0.045 0.000 1.380 1066 H HN 0.563 nan 8.280 nan 0.000 0.548 1067 E N 0.362 120.148 120.200 -0.690 0.000 2.285 1067 E HA -0.093 4.257 4.350 0.000 0.000 0.194 1067 E C 1.556 177.989 176.600 -0.278 0.000 0.997 1067 E CA 0.666 56.800 56.400 -0.443 0.000 0.845 1067 E CB 0.215 29.625 29.700 -0.483 0.000 0.782 1067 E HN 0.787 nan 8.360 nan 0.000 0.491 1068 Q N -0.404 119.231 119.800 -0.274 0.000 2.378 1068 Q HA 0.120 4.460 4.340 0.000 0.000 0.216 1068 Q C 0.073 176.026 176.000 -0.079 0.000 0.892 1068 Q CA 0.244 55.937 55.803 -0.183 0.000 0.931 1068 Q CB 1.704 30.311 28.738 -0.218 0.000 1.086 1068 Q HN -0.054 nan 8.270 nan 0.000 0.528 1069 V N 0.820 120.715 119.914 -0.032 0.000 2.577 1069 V HA 0.340 4.460 4.120 0.000 0.000 0.303 1069 V C -1.587 174.633 176.094 0.209 0.000 1.042 1069 V CA -0.975 61.392 62.300 0.111 0.000 0.872 1069 V CB 1.574 33.496 31.823 0.166 0.000 0.998 1069 V HN 0.100 nan 8.190 nan 0.000 0.423 1070 Y N 5.263 125.583 120.300 0.034 0.000 2.391 1070 Y HA 0.816 5.366 4.550 0.000 0.000 0.341 1070 Y C -0.941 174.963 175.900 0.007 0.000 0.965 1070 Y CA -0.936 57.186 58.100 0.037 0.000 1.067 1070 Y CB 1.782 40.209 38.460 -0.055 0.000 1.199 1070 Y HN 0.572 nan 8.280 nan 0.000 0.450 1071 I N 6.169 126.469 120.570 -0.451 0.000 2.498 1071 I HA 0.537 4.707 4.170 0.000 0.000 0.290 1071 I C -0.745 175.146 176.117 -0.377 0.000 1.032 1071 I CA -0.597 60.527 61.300 -0.295 0.000 1.073 1071 I CB 1.959 39.884 38.000 -0.126 0.000 1.251 1071 I HN 0.538 nan 8.210 nan 0.000 0.426 1072 R N 3.733 124.132 120.500 -0.169 0.000 2.686 1072 R HA 0.834 5.175 4.340 0.000 0.000 0.283 1072 R C -1.295 175.064 176.300 0.099 0.000 0.978 1072 R CA -0.349 55.773 56.100 0.037 0.000 0.897 1072 R CB 2.061 32.534 30.300 0.290 0.000 1.192 1072 R HN 0.724 nan 8.270 nan 0.000 0.457 1073 S N 1.255 117.018 115.700 0.104 0.000 2.627 1073 S HA 0.447 4.917 4.470 0.000 0.000 0.283 1073 S C -0.666 174.001 174.600 0.112 0.000 1.127 1073 S CA -0.546 57.713 58.200 0.098 0.000 0.863 1073 S CB 1.607 64.844 63.200 0.061 0.000 1.121 1073 S HN 0.663 nan 8.310 nan 0.000 0.479 1074 T N 0.423 115.050 114.554 0.121 0.000 2.860 1074 T HA 0.286 4.636 4.350 0.000 0.000 0.299 1074 T C 0.028 174.757 174.700 0.049 0.000 1.045 1074 T CA -0.304 61.872 62.100 0.126 0.000 1.071 1074 T CB 0.371 69.423 68.868 0.307 0.000 0.985 1074 T HN 0.573 nan 8.240 nan 0.000 0.537 1075 D N 1.192 121.579 120.400 -0.022 0.000 2.934 1075 D HA 0.304 4.944 4.640 0.000 0.000 0.237 1075 D C -0.779 175.494 176.300 -0.045 0.000 1.158 1075 D CA -0.222 53.757 54.000 -0.034 0.000 0.971 1075 D CB -0.790 39.980 40.800 -0.050 0.000 1.123 1075 D HN 0.415 nan 8.370 nan 0.000 0.467 1076 V N 1.436 121.351 119.914 0.002 0.000 2.656 1076 V HA 0.159 4.279 4.120 0.000 0.000 0.307 1076 V C 0.882 176.978 176.094 0.003 0.000 1.051 1076 V CA -0.901 61.410 62.300 0.018 0.000 0.893 1076 V CB 2.033 33.933 31.823 0.128 0.000 0.999 1076 V HN 0.046 nan 8.190 nan 0.000 0.426 1077 D N 2.695 123.087 120.400 -0.014 0.000 2.149 1077 D HA -0.207 4.433 4.640 0.000 0.000 0.194 1077 D C 2.096 178.373 176.300 -0.038 0.000 1.001 1077 D CA 1.987 55.972 54.000 -0.025 0.000 0.849 1077 D CB -0.002 40.782 40.800 -0.028 0.000 0.939 1077 D HN 0.754 nan 8.370 nan 0.000 0.449 1078 R N 0.455 120.912 120.500 -0.072 0.000 2.148 1078 R HA -0.058 4.282 4.340 0.000 0.000 0.227 1078 R C 1.982 178.253 176.300 -0.047 0.000 1.103 1078 R CA 1.745 57.778 56.100 -0.111 0.000 0.983 1078 R CB -1.003 29.109 30.300 -0.313 0.000 0.874 1078 R HN 0.277 nan 8.270 nan 0.000 0.451 1079 T N -0.490 114.047 114.554 -0.028 0.000 2.937 1079 T HA 0.091 4.442 4.350 0.000 0.000 0.260 1079 T C 2.072 176.784 174.700 0.021 0.000 1.051 1079 T CA 0.424 62.537 62.100 0.022 0.000 1.141 1079 T CB -0.252 68.599 68.868 -0.028 0.000 0.879 1079 T HN 0.135 nan 8.240 nan 0.000 0.459 1080 L N 0.177 121.404 121.223 0.006 0.000 2.017 1080 L HA 0.036 4.376 4.340 0.000 0.000 0.208 1080 L C 3.061 179.928 176.870 -0.006 0.000 1.073 1080 L CA 1.520 56.362 54.840 0.004 0.000 0.745 1080 L CB -0.583 41.473 42.059 -0.005 0.000 0.894 1080 L HN 0.236 nan 8.230 nan 0.000 0.432 1081 M N -1.128 118.461 119.600 -0.018 0.000 2.213 1081 M HA -0.178 4.302 4.480 0.000 0.000 0.263 1081 M C 2.442 178.715 176.300 -0.044 0.000 1.062 1081 M CA 1.349 56.635 55.300 -0.022 0.000 1.105 1081 M CB -0.308 32.278 32.600 -0.023 0.000 1.385 1081 M HN 0.175 nan 8.290 nan 0.000 0.417 1082 S N 0.620 116.258 115.700 -0.105 0.000 2.355 1082 S HA -0.063 4.407 4.470 0.000 0.000 0.222 1082 S C 2.129 176.523 174.600 -0.344 0.000 1.031 1082 S CA 1.289 59.271 58.200 -0.363 0.000 0.993 1082 S CB -0.332 62.496 63.200 -0.619 0.000 0.859 1082 S HN 0.559 nan 8.310 nan 0.000 0.453 1083 A N 1.664 124.424 122.820 -0.100 0.000 1.883 1083 A HA -0.149 4.172 4.320 0.000 0.000 0.217 1083 A C 2.174 179.792 177.584 0.056 0.000 1.186 1083 A CA 1.781 53.861 52.037 0.073 0.000 0.624 1083 A CB -0.697 18.388 19.000 0.141 0.000 0.822 1083 A HN 0.486 nan 8.150 nan 0.000 0.444 1084 M N -0.955 118.673 119.600 0.045 0.000 2.117 1084 M HA -0.125 4.356 4.480 0.000 0.000 0.262 1084 M C 2.272 178.655 176.300 0.138 0.000 1.065 1084 M CA 1.966 57.324 55.300 0.096 0.000 1.114 1084 M CB -0.738 31.914 32.600 0.088 0.000 1.361 1084 M HN 0.461 nan 8.290 nan 0.000 0.408 1085 T N 0.454 115.066 114.554 0.097 0.000 2.708 1085 T HA -0.158 4.192 4.350 0.000 0.000 0.266 1085 T C 1.691 176.506 174.700 0.191 0.000 1.037 1085 T CA 1.546 63.743 62.100 0.161 0.000 1.146 1085 T CB -0.583 68.371 68.868 0.142 0.000 0.865 1085 T HN 0.409 nan 8.240 nan 0.000 0.435 1086 N N 1.410 120.177 118.700 0.113 0.000 2.061 1086 N HA -0.105 4.635 4.740 0.000 0.000 0.193 1086 N C 1.855 177.394 175.510 0.049 0.000 1.030 1086 N CA 1.357 54.449 53.050 0.070 0.000 0.856 1086 N CB -0.403 38.095 38.487 0.018 0.000 1.023 1086 N HN 0.386 nan 8.380 nan 0.000 0.424 1087 L N 0.561 121.850 121.223 0.109 0.000 2.201 1087 L HA -0.062 4.278 4.340 0.000 0.000 0.212 1087 L C 2.550 179.520 176.870 0.166 0.000 1.105 1087 L CA 0.932 55.861 54.840 0.147 0.000 0.775 1087 L CB -0.418 41.732 42.059 0.150 0.000 0.913 1087 L HN 0.153 nan 8.230 nan 0.000 0.440 1088 A N -0.086 122.876 122.820 0.235 0.000 2.070 1088 A HA -0.056 4.264 4.320 0.000 0.000 0.220 1088 A C 2.414 180.105 177.584 0.178 0.000 1.159 1088 A CA 1.688 53.938 52.037 0.355 0.000 0.656 1088 A CB -0.370 18.932 19.000 0.503 0.000 0.800 1088 A HN 0.407 nan 8.150 nan 0.000 0.453 1089 A N -1.134 121.615 122.820 -0.118 0.000 2.014 1089 A HA 0.329 4.649 4.320 0.000 0.000 0.210 1089 A C 2.022 179.430 177.584 -0.294 0.000 1.188 1089 A CA 0.667 52.409 52.037 -0.492 0.000 0.731 1089 A CB -0.336 18.049 19.000 -1.025 0.000 0.858 1089 A HN 0.410 nan 8.150 nan 0.000 0.464 1090 L N -1.507 119.566 121.223 -0.251 0.000 2.027 1090 L HA 0.064 4.404 4.340 0.000 0.000 0.206 1090 L C 0.114 176.628 176.870 -0.593 0.000 1.074 1090 L CA 1.349 55.924 54.840 -0.441 0.000 0.745 1090 L CB -0.062 41.708 42.059 -0.481 0.000 0.898 1090 L HN 0.401 nan 8.230 nan 0.000 0.433 1091 F N 0.978 120.931 119.950 0.005 0.000 2.471 1091 F HA 0.333 4.860 4.527 0.000 0.000 0.318 1091 F C -2.059 173.754 175.800 0.022 0.000 1.308 1091 F CA -2.118 55.896 58.000 0.024 0.000 1.162 1091 F CB 0.327 39.349 39.000 0.037 0.000 1.383 1091 F HN -0.002 nan 8.300 nan 0.000 0.552 1092 P HA 0.105 nan 4.420 nan 0.000 0.271 1092 P C -2.643 174.735 177.300 0.130 0.000 1.216 1092 P CA -1.336 61.846 63.100 0.137 0.000 0.776 1092 P CB 0.672 32.434 31.700 0.105 0.000 0.881 1093 P HA 0.163 nan 4.420 nan 0.000 0.280 1093 P C -0.639 176.704 177.300 0.072 0.000 1.244 1093 P CA 0.181 63.335 63.100 0.090 0.000 0.784 1093 P CB 0.843 32.593 31.700 0.083 0.000 0.913 1094 E N 1.560 121.799 120.200 0.066 0.000 2.331 1094 E HA 0.539 4.889 4.350 0.000 0.000 0.275 1094 E C 0.300 176.923 176.600 0.037 0.000 0.895 1094 E CA -1.033 55.395 56.400 0.047 0.000 0.753 1094 E CB 1.330 31.059 29.700 0.048 0.000 1.216 1094 E HN 0.561 nan 8.360 nan 0.000 0.434 1095 G N 1.220 110.035 108.800 0.025 0.000 2.561 1095 G HA2 -0.379 3.581 3.960 0.000 0.000 0.289 1095 G HA3 -0.379 3.581 3.960 0.000 0.000 0.289 1095 G C 0.882 175.796 174.900 0.023 0.000 1.169 1095 G CA 0.290 45.403 45.100 0.020 0.000 0.980 1095 G HN 0.636 nan 8.290 nan 0.000 0.550 1096 V N 2.242 122.171 119.914 0.024 0.000 2.720 1096 V HA -0.093 4.027 4.120 0.000 0.000 0.256 1096 V C 2.939 179.061 176.094 0.046 0.000 1.082 1096 V CA 3.061 65.379 62.300 0.029 0.000 1.101 1096 V CB -0.334 31.501 31.823 0.020 0.000 0.693 1096 V HN 1.248 nan 8.190 nan 0.000 0.479 1097 S N -0.770 114.961 115.700 0.052 0.000 2.603 1097 S HA 0.203 4.673 4.470 0.000 0.000 0.220 1097 S C 0.758 175.428 174.600 0.117 0.000 0.967 1097 S CA 0.038 58.285 58.200 0.077 0.000 0.920 1097 S CB -0.511 62.730 63.200 0.067 0.000 0.773 1097 S HN 0.521 nan 8.310 nan 0.000 0.529 1098 I N 4.289 124.903 120.570 0.074 0.000 2.278 1098 I HA 0.077 4.247 4.170 0.000 0.000 0.300 1098 I C 1.538 177.660 176.117 0.008 0.000 1.174 1098 I CA -0.615 60.698 61.300 0.022 0.000 1.347 1098 I CB -0.063 37.922 38.000 -0.026 0.000 1.473 1098 I HN 0.530 nan 8.210 nan 0.000 0.595 1099 W N 5.211 126.506 121.300 -0.009 0.000 2.402 1099 W HA -0.061 4.599 4.660 0.000 0.000 0.286 1099 W C 0.256 176.788 176.519 0.022 0.000 1.221 1099 W CA 0.485 57.830 57.345 -0.001 0.000 1.257 1099 W CB -0.504 28.946 29.460 -0.017 0.000 1.120 1099 W HN 0.365 nan 8.180 nan 0.000 0.551 1100 N N 1.976 119.967 118.700 -1.181 0.000 2.524 1100 N HA 0.223 4.963 4.740 0.000 0.000 0.261 1100 N C -2.179 173.015 175.510 -0.527 0.000 0.998 1100 N CA -2.155 50.275 53.050 -1.034 0.000 0.915 1100 N CB 1.799 39.197 38.487 -1.815 0.000 1.187 1100 N HN -0.335 nan 8.380 nan 0.000 0.507 1101 P HA -0.087 nan 4.420 nan 0.000 0.217 1101 P C 1.255 178.473 177.300 -0.137 0.000 1.148 1101 P CA 0.826 63.829 63.100 -0.161 0.000 0.828 1101 P CB 0.453 32.091 31.700 -0.104 0.000 0.783 1102 I N -2.341 118.135 120.570 -0.156 0.000 2.703 1102 I HA 0.021 4.191 4.170 0.000 0.000 0.259 1102 I C 1.039 177.101 176.117 -0.092 0.000 1.151 1102 I CA 0.217 61.455 61.300 -0.104 0.000 1.470 1102 I CB -1.010 36.938 38.000 -0.087 0.000 1.112 1102 I HN -0.034 nan 8.210 nan 0.000 0.437 1103 L N 2.009 123.144 121.223 -0.146 0.000 2.301 1103 L HA 0.342 4.682 4.340 0.000 0.000 0.278 1103 L C 0.111 176.978 176.870 -0.006 0.000 1.022 1103 L CA 0.022 54.832 54.840 -0.050 0.000 0.854 1103 L CB 0.536 42.586 42.059 -0.016 0.000 1.226 1103 L HN -0.018 nan 8.230 nan 0.000 0.429 1104 L N 4.807 126.067 121.223 0.062 0.000 2.544 1104 L HA 0.117 4.457 4.340 0.000 0.000 0.240 1104 L C -0.937 176.087 176.870 0.257 0.000 1.421 1104 L CA 0.099 55.000 54.840 0.102 0.000 1.206 1104 L CB -0.682 41.430 42.059 0.089 0.000 1.463 1104 L HN 0.647 nan 8.230 nan 0.000 0.437 1105 W N 2.766 124.120 121.300 0.090 0.000 3.217 1105 W HA 0.452 5.112 4.660 0.000 0.000 0.323 1105 W C -1.304 175.435 176.519 0.368 0.000 1.216 1105 W CA -0.678 56.783 57.345 0.193 0.000 1.194 1105 W CB 1.248 30.817 29.460 0.180 0.000 1.397 1105 W HN 0.228 nan 8.180 nan 0.000 0.537 1106 Q N 5.127 124.372 119.800 -0.925 0.000 2.397 1106 Q HA 0.631 4.971 4.340 0.000 0.000 0.275 1106 Q C -2.751 172.356 176.000 -1.489 0.000 1.090 1106 Q CA -2.363 52.915 55.803 -0.875 0.000 0.809 1106 Q CB 3.103 31.683 28.738 -0.264 0.000 1.362 1106 Q HN 0.279 nan 8.270 nan 0.000 0.431 1107 P HA 0.284 nan 4.420 nan 0.000 0.282 1107 P C -0.905 176.143 177.300 -0.421 0.000 1.274 1107 P CA 0.008 62.708 63.100 -0.667 0.000 0.770 1107 P CB 0.660 32.089 31.700 -0.453 0.000 0.867 1108 I N 5.817 126.182 120.570 -0.341 0.000 2.447 1108 I HA 0.279 4.450 4.170 0.000 0.000 0.287 1108 I C -1.907 174.020 176.117 -0.317 0.000 1.023 1108 I CA -2.728 58.277 61.300 -0.492 0.000 1.083 1108 I CB 2.222 39.797 38.000 -0.709 0.000 1.245 1108 I HN 0.175 nan 8.210 nan 0.000 0.434 1109 P HA 0.053 nan 4.420 nan 0.000 0.265 1109 P C -0.765 176.281 177.300 -0.423 0.000 1.193 1109 P CA 0.033 62.929 63.100 -0.340 0.000 0.765 1109 P CB 1.226 32.721 31.700 -0.341 0.000 0.823 1110 V N 4.487 124.150 119.914 -0.418 0.000 2.380 1110 V HA 0.186 4.306 4.120 0.000 0.000 0.286 1110 V C 0.415 176.292 176.094 -0.361 0.000 1.015 1110 V CA -0.679 61.429 62.300 -0.321 0.000 0.834 1110 V CB 0.687 32.428 31.823 -0.136 0.000 1.009 1110 V HN 0.614 nan 8.190 nan 0.000 0.428 1111 H N 2.347 121.309 119.070 -0.180 0.000 2.551 1111 H HA 0.657 5.214 4.556 0.000 0.000 0.358 1111 H C 0.135 175.452 175.328 -0.018 0.000 1.151 1111 H CA 0.091 56.086 56.048 -0.089 0.000 1.374 1111 H CB 2.211 31.919 29.762 -0.090 0.000 1.473 1111 H HN 0.619 nan 8.280 nan 0.000 0.574 1112 T N 0.800 115.437 114.554 0.138 0.000 2.739 1112 T HA 0.474 4.824 4.350 0.000 0.000 0.303 1112 T C -1.452 173.306 174.700 0.097 0.000 1.389 1112 T CA -0.603 61.560 62.100 0.105 0.000 1.001 1112 T CB 1.253 70.152 68.868 0.052 0.000 1.436 1112 T HN 0.285 nan 8.240 nan 0.000 0.500 1113 V N 3.294 123.252 119.914 0.073 0.000 2.925 1113 V HA 0.617 4.737 4.120 0.000 0.000 0.311 1113 V C -2.284 173.819 176.094 0.016 0.000 1.104 1113 V CA -1.889 60.443 62.300 0.053 0.000 0.954 1113 V CB 2.226 34.088 31.823 0.065 0.000 1.022 1113 V HN 0.844 nan 8.190 nan 0.000 0.427 1114 P HA 0.121 nan 4.420 nan 0.000 0.266 1114 P C 1.121 178.394 177.300 -0.045 0.000 1.195 1114 P CA 0.140 63.228 63.100 -0.021 0.000 0.768 1114 P CB 1.010 32.706 31.700 -0.008 0.000 0.838 1115 L N 2.530 123.686 121.223 -0.112 0.000 1.991 1115 L HA -0.301 4.039 4.340 0.000 0.000 0.221 1115 L C 2.613 179.460 176.870 -0.037 0.000 1.079 1115 L CA 2.856 57.567 54.840 -0.214 0.000 0.778 1115 L CB -1.287 40.577 42.059 -0.325 0.000 0.893 1115 L HN 0.491 nan 8.230 nan 0.000 0.437 1116 S N -1.210 114.495 115.700 0.008 0.000 2.493 1116 S HA -0.199 4.271 4.470 0.000 0.000 0.243 1116 S C 1.333 175.964 174.600 0.051 0.000 0.991 1116 S CA 1.478 59.714 58.200 0.058 0.000 0.957 1116 S CB -0.316 62.910 63.200 0.043 0.000 0.756 1116 S HN 0.559 nan 8.310 nan 0.000 0.521 1117 E N 0.360 120.578 120.200 0.030 0.000 2.562 1117 E HA 0.170 4.520 4.350 0.000 0.000 0.214 1117 E C -0.468 176.135 176.600 0.005 0.000 0.979 1117 E CA -0.279 56.126 56.400 0.009 0.000 1.002 1117 E CB 0.285 29.988 29.700 0.004 0.000 1.048 1117 E HN 0.390 nan 8.360 nan 0.000 0.488 1118 D N 1.889 122.323 120.400 0.058 0.000 2.349 1118 D HA -0.038 4.602 4.640 0.000 0.000 0.266 1118 D C 0.005 176.359 176.300 0.090 0.000 1.293 1118 D CA 0.498 54.562 54.000 0.107 0.000 0.926 1118 D CB 0.699 41.611 40.800 0.187 0.000 1.090 1118 D HN 0.181 nan 8.370 nan 0.000 0.502 1119 Q N 3.063 122.833 119.800 -0.051 0.000 2.201 1119 Q HA 0.133 4.473 4.340 0.000 0.000 0.217 1119 Q C 0.564 176.478 176.000 -0.143 0.000 0.860 1119 Q CA -0.194 55.406 55.803 -0.338 0.000 0.984 1119 Q CB 1.050 29.569 28.738 -0.367 0.000 1.095 1119 Q HN 0.424 nan 8.270 nan 0.000 0.477 1120 L N -1.963 119.375 121.223 0.192 0.000 2.463 1120 L HA 0.175 4.515 4.340 0.000 0.000 0.208 1120 L C 0.786 177.753 176.870 0.162 0.000 1.082 1120 L CA 0.708 55.663 54.840 0.192 0.000 0.997 1120 L CB 0.471 42.575 42.059 0.075 0.000 1.953 1120 L HN 0.120 nan 8.230 nan 0.000 0.499 1121 L N -1.390 119.931 121.223 0.164 0.000 2.515 1121 L HA 0.143 4.483 4.340 0.000 0.000 0.223 1121 L C 0.293 177.275 176.870 0.187 0.000 1.079 1121 L CA 0.140 55.053 54.840 0.121 0.000 0.857 1121 L CB 0.121 42.282 42.059 0.169 0.000 1.050 1121 L HN 0.157 nan 8.230 nan 0.000 0.476 1122 Y N 2.091 122.430 120.300 0.066 0.000 2.623 1122 Y HA 0.247 4.797 4.550 0.000 0.000 0.341 1122 Y C -0.224 175.554 175.900 -0.203 0.000 1.292 1122 Y CA -0.976 57.130 58.100 0.011 0.000 1.840 1122 Y CB -0.062 38.439 38.460 0.068 0.000 1.865 1122 Y HN -0.013 nan 8.280 nan 0.000 0.440 1123 L N 5.959 126.912 121.223 -0.450 0.000 2.379 1123 L HA 0.417 4.757 4.340 0.000 0.000 0.269 1123 L C -2.071 174.502 176.870 -0.494 0.000 1.084 1123 L CA -2.203 52.249 54.840 -0.646 0.000 0.802 1123 L CB 0.410 42.147 42.059 -0.537 0.000 1.175 1123 L HN 0.331 nan 8.230 nan 0.000 0.448 1124 P HA 0.185 nan 4.420 nan 0.000 0.285 1124 P C -0.786 176.253 177.300 -0.436 0.000 1.259 1124 P CA -0.457 62.370 63.100 -0.453 0.000 0.794 1124 P CB 0.512 31.981 31.700 -0.385 0.000 0.940 1125 F N 2.389 122.193 119.950 -0.243 0.000 2.553 1125 F HA 0.150 4.677 4.527 0.000 0.000 0.356 1125 F C 2.066 177.819 175.800 -0.078 0.000 1.142 1125 F CA 0.381 58.296 58.000 -0.141 0.000 1.322 1125 F CB 0.054 38.991 39.000 -0.106 0.000 1.126 1125 F HN 0.305 nan 8.300 nan 0.000 0.599 1126 R N 0.423 121.064 120.500 0.236 0.000 2.541 1126 R HA 0.080 4.420 4.340 0.000 0.000 0.332 1126 R C 0.002 176.437 176.300 0.224 0.000 0.951 1126 R CA 0.034 56.252 56.100 0.197 0.000 1.136 1126 R CB -0.067 30.295 30.300 0.102 0.000 1.449 1126 R HN 0.731 nan 8.270 nan 0.000 0.531 1127 N N -0.194 118.675 118.700 0.282 0.000 2.575 1127 N HA 0.085 4.825 4.740 0.000 0.000 0.275 1127 N C -0.536 175.144 175.510 0.284 0.000 1.202 1127 N CA -0.359 52.838 53.050 0.244 0.000 0.945 1127 N CB 0.649 39.267 38.487 0.219 0.000 1.247 1127 N HN -0.048 nan 8.380 nan 0.000 0.510 1128 c N 1.249 119.995 118.600 0.243 0.000 2.534 1128 c HA 0.436 5.006 4.570 0.000 0.000 0.309 1128 c C -1.483 172.655 174.090 0.079 0.000 1.072 1128 c CA -1.822 54.552 56.329 0.075 0.000 1.441 1128 c CB 0.764 43.352 42.510 0.131 0.000 1.906 1128 c HN 0.343 nan 8.230 nan 0.000 0.429 1129 P HA -0.171 nan 4.420 nan 0.000 0.214 1129 P C 1.762 179.055 177.300 -0.011 0.000 1.163 1129 P CA 1.310 64.409 63.100 -0.002 0.000 0.889 1129 P CB 0.082 31.764 31.700 -0.031 0.000 0.790 1130 R N -0.655 119.819 120.500 -0.043 0.000 2.091 1130 R HA -0.166 4.174 4.340 0.000 0.000 0.238 1130 R C 2.084 178.386 176.300 0.003 0.000 1.136 1130 R CA 1.628 57.704 56.100 -0.041 0.000 0.959 1130 R CB -1.909 28.343 30.300 -0.080 0.000 0.856 1130 R HN 0.118 nan 8.270 nan 0.000 0.437 1131 F N 1.067 120.982 119.950 -0.058 0.000 2.171 1131 F HA -0.174 4.353 4.527 0.000 0.000 0.300 1131 F C 1.913 177.704 175.800 -0.016 0.000 1.090 1131 F CA 1.551 59.546 58.000 -0.008 0.000 1.293 1131 F CB -0.136 38.898 39.000 0.056 0.000 1.013 1131 F HN 0.087 nan 8.300 nan 0.000 0.486 1132 Q N 0.544 120.309 119.800 -0.058 0.000 2.084 1132 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 1132 Q C 2.196 178.079 176.000 -0.195 0.000 0.978 1132 Q CA 1.821 57.543 55.803 -0.136 0.000 0.844 1132 Q CB -0.718 28.008 28.738 -0.020 0.000 0.898 1132 Q HN 0.574 nan 8.270 nan 0.000 0.426 1133 E N 0.456 120.576 120.200 -0.134 0.000 2.085 1133 E HA -0.144 4.206 4.350 0.000 0.000 0.194 1133 E C 2.195 178.705 176.600 -0.150 0.000 0.994 1133 E CA 0.706 57.036 56.400 -0.115 0.000 0.801 1133 E CB -0.101 29.556 29.700 -0.072 0.000 0.743 1133 E HN 0.282 nan 8.360 nan 0.000 0.453 1134 L N 0.694 121.793 121.223 -0.206 0.000 2.083 1134 L HA -0.196 4.144 4.340 0.000 0.000 0.209 1134 L C 2.415 179.120 176.870 -0.275 0.000 1.083 1134 L CA 1.149 55.870 54.840 -0.198 0.000 0.752 1134 L CB -0.352 41.561 42.059 -0.244 0.000 0.899 1134 L HN 0.147 nan 8.230 nan 0.000 0.433 1135 E N -0.564 119.357 120.200 -0.464 0.000 2.047 1135 E HA -0.208 4.142 4.350 0.000 0.000 0.191 1135 E C 2.370 178.792 176.600 -0.297 0.000 0.987 1135 E CA 1.354 57.499 56.400 -0.425 0.000 0.799 1135 E CB -0.013 29.412 29.700 -0.459 0.000 0.752 1135 E HN 0.267 nan 8.360 nan 0.000 0.449 1136 S N 0.608 116.167 115.700 -0.235 0.000 2.359 1136 S HA -0.235 4.235 4.470 0.000 0.000 0.223 1136 S C 1.791 176.278 174.600 -0.189 0.000 1.039 1136 S CA 1.546 59.639 58.200 -0.179 0.000 1.042 1136 S CB -0.166 62.958 63.200 -0.127 0.000 0.915 1136 S HN 0.239 nan 8.310 nan 0.000 0.439 1137 E N -0.297 119.797 120.200 -0.177 0.000 2.118 1137 E HA -0.113 4.237 4.350 0.000 0.000 0.195 1137 E C 2.129 178.489 176.600 -0.400 0.000 0.992 1137 E CA 1.600 57.868 56.400 -0.220 0.000 0.804 1137 E CB -0.317 29.322 29.700 -0.101 0.000 0.741 1137 E HN 0.535 nan 8.360 nan 0.000 0.458 1138 T N 1.634 115.982 114.554 -0.344 0.000 2.788 1138 T HA -0.119 4.231 4.350 0.000 0.000 0.268 1138 T C 1.736 176.188 174.700 -0.412 0.000 1.044 1138 T CA 0.636 62.515 62.100 -0.367 0.000 1.139 1138 T CB -0.021 68.687 68.868 -0.267 0.000 0.867 1138 T HN 0.041 nan 8.240 nan 0.000 0.454 1139 L N 0.723 121.680 121.223 -0.444 0.000 2.083 1139 L HA -0.001 4.339 4.340 0.000 0.000 0.209 1139 L C 2.219 179.046 176.870 -0.072 0.000 1.083 1139 L CA 1.777 56.375 54.840 -0.402 0.000 0.752 1139 L CB -0.986 40.906 42.059 -0.279 0.000 0.899 1139 L HN 0.197 nan 8.230 nan 0.000 0.433 1140 K N 0.159 120.487 120.400 -0.121 0.000 2.366 1140 K HA -0.003 4.317 4.320 0.000 0.000 0.198 1140 K C 1.072 177.631 176.600 -0.068 0.000 1.044 1140 K CA 0.024 56.271 56.287 -0.067 0.000 0.973 1140 K CB -0.349 32.096 32.500 -0.092 0.000 0.767 1140 K HN 0.381 nan 8.250 nan 0.000 0.475 1141 S N 0.604 116.221 115.700 -0.139 0.000 2.568 1141 S HA -0.054 4.416 4.470 0.000 0.000 0.282 1141 S C 1.253 175.873 174.600 0.033 0.000 1.338 1141 S CA -0.314 57.814 58.200 -0.120 0.000 1.045 1141 S CB 1.230 64.308 63.200 -0.204 0.000 0.873 1141 S HN 0.392 nan 8.310 nan 0.000 0.516 1142 E N 0.963 121.180 120.200 0.029 0.000 2.107 1142 E HA -0.192 4.158 4.350 0.000 0.000 0.191 1142 E C 1.700 178.332 176.600 0.054 0.000 0.982 1142 E CA 1.162 57.584 56.400 0.036 0.000 0.809 1142 E CB -0.229 29.483 29.700 0.019 0.000 0.756 1142 E HN 0.836 nan 8.360 nan 0.000 0.459 1143 E N 0.329 120.577 120.200 0.079 0.000 2.058 1143 E HA -0.214 4.136 4.350 0.000 0.000 0.194 1143 E C 1.676 178.336 176.600 0.099 0.000 0.997 1143 E CA 1.457 57.909 56.400 0.087 0.000 0.801 1143 E CB -0.547 29.222 29.700 0.115 0.000 0.746 1143 E HN 0.407 nan 8.360 nan 0.000 0.450 1144 F N 1.014 120.971 119.950 0.012 0.000 2.075 1144 F HA -0.181 4.346 4.527 0.000 0.000 0.297 1144 F C 2.131 177.948 175.800 0.028 0.000 1.113 1144 F CA 1.678 59.685 58.000 0.012 0.000 1.218 1144 F CB -0.436 38.555 39.000 -0.015 0.000 0.984 1144 F HN 0.022 nan 8.300 nan 0.000 0.472 1145 Q N 0.542 120.330 119.800 -0.020 0.000 2.181 1145 Q HA -0.241 4.099 4.340 0.000 0.000 0.205 1145 Q C 2.170 178.122 176.000 -0.080 0.000 0.980 1145 Q CA 1.645 57.402 55.803 -0.077 0.000 0.862 1145 Q CB -0.532 28.236 28.738 0.051 0.000 0.905 1145 Q HN 0.341 nan 8.270 nan 0.000 0.429 1146 K N 0.884 121.254 120.400 -0.050 0.000 2.025 1146 K HA -0.053 4.268 4.320 0.000 0.000 0.207 1146 K C 2.010 178.606 176.600 -0.006 0.000 1.049 1146 K CA 1.153 57.431 56.287 -0.015 0.000 0.933 1146 K CB 0.006 32.500 32.500 -0.010 0.000 0.714 1146 K HN 0.103 nan 8.250 nan 0.000 0.438 1147 R N -0.043 120.416 120.500 -0.068 0.000 2.115 1147 R HA -0.096 4.244 4.340 0.000 0.000 0.230 1147 R C 2.191 178.479 176.300 -0.021 0.000 1.111 1147 R CA 1.219 57.292 56.100 -0.044 0.000 0.976 1147 R CB -0.537 29.714 30.300 -0.082 0.000 0.870 1147 R HN 0.156 nan 8.270 nan 0.000 0.445 1148 L N 0.337 121.437 121.223 -0.206 0.000 2.023 1148 L HA -0.128 4.213 4.340 0.000 0.000 0.205 1148 L C 2.257 179.175 176.870 0.080 0.000 1.073 1148 L CA 2.053 56.798 54.840 -0.159 0.000 0.745 1148 L CB -0.971 40.793 42.059 -0.492 0.000 0.900 1148 L HN 0.145 nan 8.230 nan 0.000 0.435 1149 H N 0.481 119.525 119.070 -0.042 0.000 2.312 1149 H HA -0.210 4.346 4.556 0.000 0.000 0.285 1149 H C -0.812 174.513 175.328 -0.005 0.000 1.120 1149 H CA 3.071 59.110 56.048 -0.014 0.000 1.179 1149 H CB -1.628 28.114 29.762 -0.033 0.000 1.349 1149 H HN 0.276 nan 8.280 nan 0.000 0.473 1150 P HA -0.149 nan 4.420 nan 0.000 0.220 1150 P C 0.554 177.578 177.300 -0.460 0.000 1.144 1150 P CA 1.552 64.423 63.100 -0.381 0.000 0.800 1150 P CB -0.174 31.310 31.700 -0.360 0.000 0.772 1151 Y N -1.540 118.682 120.300 -0.130 0.000 2.478 1151 Y HA 0.106 4.657 4.550 0.000 0.000 0.261 1151 Y C 2.053 177.951 175.900 -0.005 0.000 1.127 1151 Y CA 0.191 58.279 58.100 -0.021 0.000 1.288 1151 Y CB -0.397 38.080 38.460 0.029 0.000 1.084 1151 Y HN -0.261 nan 8.280 nan 0.000 0.530 1152 K N 0.959 121.371 120.400 0.020 0.000 2.117 1152 K HA -0.300 4.020 4.320 0.000 0.000 0.215 1152 K C 1.583 178.191 176.600 0.014 0.000 1.053 1152 K CA 2.266 58.552 56.287 -0.001 0.000 0.935 1152 K CB -0.525 31.927 32.500 -0.079 0.000 0.719 1152 K HN 0.457 nan 8.250 nan 0.000 0.460 1153 D N -1.333 119.065 120.400 -0.003 0.000 2.077 1153 D HA -0.174 4.466 4.640 0.000 0.000 0.193 1153 D C 1.770 178.117 176.300 0.079 0.000 0.989 1153 D CA 1.188 55.200 54.000 0.020 0.000 0.831 1153 D CB -0.213 40.589 40.800 0.004 0.000 0.979 1153 D HN 0.133 nan 8.370 nan 0.000 0.449 1154 F N 1.306 121.247 119.950 -0.015 0.000 2.043 1154 F HA -0.240 4.287 4.527 0.000 0.000 0.297 1154 F C 2.063 177.876 175.800 0.021 0.000 1.118 1154 F CA 1.703 59.716 58.000 0.022 0.000 1.202 1154 F CB -0.721 38.330 39.000 0.085 0.000 0.965 1154 F HN 0.100 nan 8.300 nan 0.000 0.482 1155 I N 0.283 120.835 120.570 -0.029 0.000 2.185 1155 I HA -0.406 3.764 4.170 0.000 0.000 0.246 1155 I C 2.695 178.704 176.117 -0.179 0.000 1.088 1155 I CA 1.406 62.618 61.300 -0.147 0.000 1.347 1155 I CB -1.232 36.777 38.000 0.015 0.000 1.041 1155 I HN 0.300 nan 8.210 nan 0.000 0.415 1156 A N 1.102 123.862 122.820 -0.100 0.000 1.892 1156 A HA -0.300 4.020 4.320 0.000 0.000 0.218 1156 A C 2.487 179.988 177.584 -0.138 0.000 1.188 1156 A CA 2.954 54.939 52.037 -0.087 0.000 0.631 1156 A CB -1.356 17.616 19.000 -0.047 0.000 0.822 1156 A HN 0.578 nan 8.150 nan 0.000 0.447 1157 T N -2.462 111.978 114.554 -0.190 0.000 2.821 1157 T HA -0.088 4.262 4.350 0.000 0.000 0.267 1157 T C 1.550 176.041 174.700 -0.348 0.000 1.046 1157 T CA 1.429 63.392 62.100 -0.229 0.000 1.139 1157 T CB -0.487 68.256 68.868 -0.207 0.000 0.871 1157 T HN 0.093 nan 8.240 nan 0.000 0.454 1158 L N 1.892 122.840 121.223 -0.458 0.000 2.651 1158 L HA 0.213 4.553 4.340 0.000 0.000 0.236 1158 L C 2.374 178.998 176.870 -0.409 0.000 1.173 1158 L CA 0.980 55.501 54.840 -0.532 0.000 0.843 1158 L CB -0.975 40.768 42.059 -0.528 0.000 0.964 1158 L HN 0.546 nan 8.230 nan 0.000 0.454 1159 G N -1.390 107.250 108.800 -0.266 0.000 2.408 1159 G HA2 -0.150 3.810 3.960 0.000 0.000 0.213 1159 G HA3 -0.150 3.810 3.960 0.000 0.000 0.213 1159 G C 1.650 176.454 174.900 -0.160 0.000 1.177 1159 G CA 0.045 45.055 45.100 -0.151 0.000 0.802 1159 G HN 0.330 nan 8.290 nan 0.000 0.533 1160 K N -0.070 120.255 120.400 -0.126 0.000 2.365 1160 K HA 0.279 4.599 4.320 0.000 0.000 0.197 1160 K C 2.200 178.661 176.600 -0.232 0.000 1.042 1160 K CA 0.080 56.312 56.287 -0.093 0.000 0.987 1160 K CB 0.029 32.488 32.500 -0.067 0.000 0.779 1160 K HN 0.255 nan 8.250 nan 0.000 0.484 1161 L N 0.118 121.073 121.223 -0.447 0.000 2.168 1161 L HA -0.059 4.281 4.340 0.000 0.000 0.203 1161 L C 2.471 178.921 176.870 -0.702 0.000 1.078 1161 L CA 1.021 55.418 54.840 -0.739 0.000 0.780 1161 L CB -0.400 40.837 42.059 -1.371 0.000 0.939 1161 L HN 0.181 nan 8.230 nan 0.000 0.451 1162 S N -0.703 114.580 115.700 -0.694 0.000 2.425 1162 S HA 0.096 4.566 4.470 0.000 0.000 0.225 1162 S C 1.654 176.162 174.600 -0.153 0.000 1.024 1162 S CA 0.712 58.559 58.200 -0.588 0.000 0.951 1162 S CB 0.456 63.311 63.200 -0.575 0.000 0.796 1162 S HN 0.514 nan 8.310 nan 0.000 0.498 1163 G N 0.611 109.266 108.800 -0.243 0.000 2.176 1163 G HA2 -0.177 3.783 3.960 0.000 0.000 0.232 1163 G HA3 -0.177 3.783 3.960 0.000 0.000 0.232 1163 G C -0.151 174.501 174.900 -0.414 0.000 0.986 1163 G CA 0.145 45.117 45.100 -0.214 0.000 0.643 1163 G HN 0.528 nan 8.290 nan 0.000 0.522 1164 L N 2.247 123.228 121.223 -0.404 0.000 2.296 1164 L HA 0.523 4.864 4.340 0.000 0.000 0.286 1164 L C -0.207 176.401 176.870 -0.438 0.000 1.023 1164 L CA -1.103 53.526 54.840 -0.352 0.000 0.812 1164 L CB 1.271 43.257 42.059 -0.122 0.000 1.223 1164 L HN 0.122 nan 8.230 nan 0.000 0.421 1165 H N 3.121 122.178 119.070 -0.021 0.000 2.641 1165 H HA 0.634 5.190 4.556 0.000 0.000 0.295 1165 H C 0.102 175.423 175.328 -0.011 0.000 1.070 1165 H CA -0.623 55.408 56.048 -0.028 0.000 1.257 1165 H CB 1.609 31.357 29.762 -0.024 0.000 1.393 1165 H HN 0.767 nan 8.280 nan 0.000 0.464 1166 G N 2.379 111.222 108.800 0.072 0.000 1.959 1166 G HA2 -0.029 3.931 3.960 0.000 0.000 0.289 1166 G HA3 -0.029 3.931 3.960 0.000 0.000 0.289 1166 G C -0.100 174.826 174.900 0.043 0.000 1.705 1166 G CA -0.794 44.340 45.100 0.058 0.000 0.913 1166 G HN 0.473 nan 8.290 nan 0.000 0.686 1167 Q N 0.719 120.550 119.800 0.051 0.000 2.344 1167 Q HA 0.099 4.440 4.340 0.000 0.000 0.212 1167 Q C 0.553 176.605 176.000 0.086 0.000 0.943 1167 Q CA 0.133 55.969 55.803 0.056 0.000 0.955 1167 Q CB 0.108 28.882 28.738 0.061 0.000 1.000 1167 Q HN 0.600 nan 8.270 nan 0.000 0.488 1168 D N -0.672 119.780 120.400 0.087 0.000 2.338 1168 D HA -0.029 4.611 4.640 0.000 0.000 0.255 1168 D C 0.808 177.195 176.300 0.145 0.000 1.237 1168 D CA 0.077 54.147 54.000 0.117 0.000 0.883 1168 D CB 0.596 41.464 40.800 0.112 0.000 1.087 1168 D HN 0.236 nan 8.370 nan 0.000 0.485 1169 L N 3.437 124.770 121.223 0.185 0.000 2.079 1169 L HA -0.164 4.176 4.340 0.000 0.000 0.210 1169 L C 1.964 179.011 176.870 0.295 0.000 1.081 1169 L CA 0.827 55.792 54.840 0.209 0.000 0.752 1169 L CB -0.508 41.687 42.059 0.226 0.000 0.896 1169 L HN 0.510 nan 8.230 nan 0.000 0.433 1170 F N 1.080 121.131 119.950 0.169 0.000 2.186 1170 F HA -0.071 4.456 4.527 0.000 0.000 0.299 1170 F C 2.176 178.068 175.800 0.152 0.000 1.090 1170 F CA 1.214 59.337 58.000 0.205 0.000 1.307 1170 F CB -0.630 38.437 39.000 0.112 0.000 1.019 1170 F HN -0.049 nan 8.300 nan 0.000 0.489 1171 G N 1.075 109.887 108.800 0.021 0.000 2.402 1171 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 1171 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 1171 G C 1.666 176.539 174.900 -0.046 0.000 1.162 1171 G CA 0.994 46.038 45.100 -0.093 0.000 0.777 1171 G HN 0.313 nan 8.290 nan 0.000 0.539 1172 I N -0.244 120.362 120.570 0.061 0.000 2.163 1172 I HA -0.109 4.061 4.170 0.000 0.000 0.243 1172 I C 2.369 178.616 176.117 0.216 0.000 1.085 1172 I CA 0.579 61.946 61.300 0.112 0.000 1.347 1172 I CB -1.250 36.822 38.000 0.119 0.000 1.044 1172 I HN 0.388 nan 8.210 nan 0.000 0.408 1173 W N 2.729 124.033 121.300 0.007 0.000 2.354 1173 W HA -0.212 4.448 4.660 0.000 0.000 0.315 1173 W C 2.888 179.400 176.519 -0.012 0.000 1.206 1173 W CA 2.322 59.705 57.345 0.062 0.000 1.290 1173 W CB -0.899 28.601 29.460 0.068 0.000 1.152 1173 W HN 0.285 nan 8.180 nan 0.000 0.489 1174 S N -0.558 114.927 115.700 -0.359 0.000 2.489 1174 S HA 0.002 4.472 4.470 0.000 0.000 0.228 1174 S C 1.521 175.946 174.600 -0.291 0.000 0.995 1174 S CA 1.028 58.889 58.200 -0.565 0.000 0.934 1174 S CB -0.209 62.399 63.200 -0.987 0.000 0.771 1174 S HN 0.361 nan 8.310 nan 0.000 0.522 1175 K N -0.225 120.099 120.400 -0.128 0.000 2.402 1175 K HA 0.376 4.696 4.320 0.000 0.000 0.203 1175 K C 0.624 177.358 176.600 0.222 0.000 1.077 1175 K CA 0.232 56.514 56.287 -0.010 0.000 1.051 1175 K CB 1.078 33.569 32.500 -0.014 0.000 0.907 1175 K HN 0.239 nan 8.250 nan 0.000 0.554 1176 V N -0.727 119.332 119.914 0.243 0.000 3.102 1176 V HA -0.054 4.067 4.120 0.000 0.000 0.225 1176 V C 1.334 177.660 176.094 0.387 0.000 1.301 1176 V CA 0.247 62.767 62.300 0.366 0.000 1.308 1176 V CB -0.258 31.688 31.823 0.205 0.000 1.129 1176 V HN 0.136 nan 8.190 nan 0.000 0.502 1177 Y N 1.819 122.278 120.300 0.265 0.000 2.184 1177 Y HA -0.163 4.387 4.550 0.000 0.000 0.290 1177 Y C 2.215 178.298 175.900 0.304 0.000 1.129 1177 Y CA 2.280 60.554 58.100 0.290 0.000 1.144 1177 Y CB -0.348 38.288 38.460 0.294 0.000 0.995 1177 Y HN 0.448 nan 8.280 nan 0.000 0.513 1178 D N -0.528 119.937 120.400 0.108 0.000 2.092 1178 D HA -0.164 4.476 4.640 0.000 0.000 0.193 1178 D C -0.609 175.673 176.300 -0.029 0.000 0.994 1178 D CA 1.859 55.851 54.000 -0.014 0.000 0.828 1178 D CB -0.973 39.806 40.800 -0.035 0.000 0.963 1178 D HN 0.237 nan 8.370 nan 0.000 0.450 1179 P HA -0.137 nan 4.420 nan 0.000 0.214 1179 P C 1.560 178.889 177.300 0.049 0.000 1.163 1179 P CA 1.096 64.165 63.100 -0.051 0.000 0.889 1179 P CB -0.055 31.609 31.700 -0.060 0.000 0.790 1180 L N -2.729 118.565 121.223 0.117 0.000 2.042 1180 L HA -0.222 4.118 4.340 0.000 0.000 0.210 1180 L C 2.603 179.524 176.870 0.086 0.000 1.076 1180 L CA 1.568 56.481 54.840 0.122 0.000 0.749 1180 L CB -1.024 41.129 42.059 0.156 0.000 0.893 1180 L HN -0.013 nan 8.230 nan 0.000 0.432 1181 Y N 0.005 120.219 120.300 -0.144 0.000 2.181 1181 Y HA -0.280 4.271 4.550 0.000 0.000 0.288 1181 Y C 2.627 178.572 175.900 0.076 0.000 1.146 1181 Y CA 1.307 59.323 58.100 -0.140 0.000 1.164 1181 Y CB -0.539 37.657 38.460 -0.440 0.000 0.982 1181 Y HN 0.160 nan 8.280 nan 0.000 0.515 1182 C N 1.311 120.627 119.300 0.027 0.000 2.473 1182 C HA -0.180 4.280 4.460 0.000 0.000 0.279 1182 C C 2.705 177.949 174.990 0.422 0.000 1.250 1182 C CA 1.400 60.508 59.018 0.150 0.000 1.713 1182 C CB -1.268 26.493 27.740 0.035 0.000 2.066 1182 C HN 0.727 nan 8.230 nan 0.000 0.474 1183 E N 2.060 122.519 120.200 0.431 0.000 2.204 1183 E HA -0.195 4.156 4.350 0.000 0.000 0.195 1183 E C 1.880 178.737 176.600 0.429 0.000 0.990 1183 E CA 1.846 58.589 56.400 0.571 0.000 0.821 1183 E CB -0.475 29.368 29.700 0.239 0.000 0.750 1183 E HN 0.743 nan 8.360 nan 0.000 0.477 1184 S N 1.099 116.918 115.700 0.197 0.000 2.371 1184 S HA -0.080 4.391 4.470 0.000 0.000 0.224 1184 S C 2.219 176.833 174.600 0.023 0.000 1.029 1184 S CA 0.823 59.079 58.200 0.094 0.000 0.978 1184 S CB -0.550 62.673 63.200 0.038 0.000 0.833 1184 S HN 0.161 nan 8.310 nan 0.000 0.466 1185 V N 2.142 122.010 119.914 -0.076 0.000 2.392 1185 V HA -0.183 3.937 4.120 0.000 0.000 0.249 1185 V C 1.768 177.739 176.094 -0.205 0.000 1.059 1185 V CA 2.120 64.310 62.300 -0.182 0.000 1.051 1185 V CB -1.027 30.651 31.823 -0.242 0.000 0.658 1185 V HN 0.648 nan 8.190 nan 0.000 0.455 1186 H N 0.142 119.296 119.070 0.140 0.000 2.567 1186 H HA 0.255 4.811 4.556 0.000 0.000 0.294 1186 H C 0.682 175.940 175.328 -0.115 0.000 1.050 1186 H CA -0.223 55.864 56.048 0.064 0.000 1.168 1186 H CB -0.541 29.331 29.762 0.183 0.000 1.422 1186 H HN 0.366 nan 8.280 nan 0.000 0.562 1187 N N 0.189 118.886 118.700 -0.005 0.000 2.740 1187 N HA -0.223 4.518 4.740 0.000 0.000 0.248 1187 N C -1.028 174.409 175.510 -0.123 0.000 1.062 1187 N CA 0.657 53.667 53.050 -0.067 0.000 0.704 1187 N CB -1.780 36.635 38.487 -0.120 0.000 0.968 1187 N HN 0.330 nan 8.380 nan 0.000 0.547 1188 F N 0.482 120.422 119.950 -0.018 0.000 2.396 1188 F HA 0.151 4.679 4.527 0.000 0.000 0.343 1188 F C 1.669 177.455 175.800 -0.025 0.000 1.104 1188 F CA -0.184 57.789 58.000 -0.044 0.000 1.161 1188 F CB 1.104 40.077 39.000 -0.045 0.000 1.146 1188 F HN -0.161 nan 8.300 nan 0.000 0.522 1189 T N 5.359 120.007 114.554 0.157 0.000 2.784 1189 T HA 0.246 4.596 4.350 0.000 0.000 0.291 1189 T C -0.094 174.656 174.700 0.083 0.000 0.942 1189 T CA -0.638 61.512 62.100 0.083 0.000 1.161 1189 T CB -0.372 68.526 68.868 0.051 0.000 0.885 1189 T HN 0.275 nan 8.240 nan 0.000 0.534 1190 L N 8.058 129.305 121.223 0.039 0.000 2.456 1190 L HA 0.490 4.830 4.340 0.000 0.000 0.257 1190 L C -1.320 175.496 176.870 -0.091 0.000 1.162 1190 L CA -1.740 53.087 54.840 -0.021 0.000 0.808 1190 L CB 0.036 42.068 42.059 -0.044 0.000 1.136 1190 L HN 0.589 nan 8.230 nan 0.000 0.466 1191 P HA 0.147 nan 4.420 nan 0.000 0.272 1191 P C 0.269 177.363 177.300 -0.343 0.000 1.230 1191 P CA -0.273 62.644 63.100 -0.304 0.000 0.788 1191 P CB 0.630 31.993 31.700 -0.563 0.000 0.949 1192 S N 1.160 116.779 115.700 -0.136 0.000 2.380 1192 S HA -0.178 4.293 4.470 0.000 0.000 0.229 1192 S C 1.770 176.381 174.600 0.019 0.000 1.050 1192 S CA 1.824 60.026 58.200 0.003 0.000 1.100 1192 S CB -0.951 62.334 63.200 0.142 0.000 0.984 1192 S HN 0.737 nan 8.310 nan 0.000 0.434 1193 W N 2.098 123.438 121.300 0.066 0.000 2.402 1193 W HA 0.264 4.924 4.660 0.000 0.000 0.286 1193 W C 1.195 177.775 176.519 0.100 0.000 1.221 1193 W CA 0.334 57.721 57.345 0.070 0.000 1.257 1193 W CB -1.139 28.344 29.460 0.038 0.000 1.120 1193 W HN 0.267 nan 8.180 nan 0.000 0.551 1194 A N 3.137 125.673 122.820 -0.474 0.000 3.017 1194 A HA 0.254 4.574 4.320 0.000 0.000 0.283 1194 A C 0.707 178.263 177.584 -0.047 0.000 1.892 1194 A CA 0.979 52.838 52.037 -0.297 0.000 1.469 1194 A CB -1.339 17.343 19.000 -0.530 0.000 0.999 1194 A HN 0.279 nan 8.150 nan 0.000 0.605 1195 T N -2.208 112.397 114.554 0.085 0.000 2.936 1195 T HA 0.390 4.740 4.350 0.000 0.000 0.282 1195 T C 0.981 175.738 174.700 0.096 0.000 1.003 1195 T CA -0.032 62.118 62.100 0.084 0.000 1.005 1195 T CB 1.262 70.192 68.868 0.104 0.000 1.097 1195 T HN 0.573 nan 8.240 nan 0.000 0.532 1196 E N 0.586 120.830 120.200 0.074 0.000 2.055 1196 E HA -0.345 4.005 4.350 0.000 0.000 0.209 1196 E C 1.560 178.198 176.600 0.063 0.000 1.036 1196 E CA 2.339 58.782 56.400 0.072 0.000 0.849 1196 E CB -0.431 29.299 29.700 0.051 0.000 0.767 1196 E HN 0.888 nan 8.360 nan 0.000 0.461 1197 D N -1.139 119.283 120.400 0.038 0.000 2.149 1197 D HA -0.182 4.458 4.640 0.000 0.000 0.194 1197 D C 1.824 178.105 176.300 -0.032 0.000 1.001 1197 D CA 2.337 56.331 54.000 -0.009 0.000 0.849 1197 D CB -0.127 40.666 40.800 -0.013 0.000 0.939 1197 D HN 0.213 nan 8.370 nan 0.000 0.449 1198 T N -0.241 114.365 114.554 0.087 0.000 2.737 1198 T HA -0.120 4.230 4.350 0.000 0.000 0.265 1198 T C 1.831 176.679 174.700 0.247 0.000 1.038 1198 T CA 1.099 63.338 62.100 0.232 0.000 1.144 1198 T CB -0.109 69.015 68.868 0.427 0.000 0.866 1198 T HN 0.150 nan 8.240 nan 0.000 0.434 1199 M N 1.341 121.071 119.600 0.218 0.000 2.117 1199 M HA -0.044 4.437 4.480 0.000 0.000 0.262 1199 M C 2.537 178.940 176.300 0.173 0.000 1.065 1199 M CA 1.483 56.950 55.300 0.279 0.000 1.114 1199 M CB -1.873 30.886 32.600 0.265 0.000 1.361 1199 M HN 0.219 nan 8.290 nan 0.000 0.408 1200 T N 0.602 115.196 114.554 0.068 0.000 2.708 1200 T HA -0.134 4.216 4.350 0.000 0.000 0.266 1200 T C 1.961 176.606 174.700 -0.091 0.000 1.037 1200 T CA 1.271 63.361 62.100 -0.018 0.000 1.146 1200 T CB -0.097 68.757 68.868 -0.024 0.000 0.865 1200 T HN 0.362 nan 8.240 nan 0.000 0.435 1201 K N 0.561 120.874 120.400 -0.145 0.000 2.147 1201 K HA 0.050 4.370 4.320 0.000 0.000 0.205 1201 K C 2.240 178.777 176.600 -0.106 0.000 1.049 1201 K CA 0.878 57.042 56.287 -0.205 0.000 0.936 1201 K CB -0.281 31.752 32.500 -0.779 0.000 0.722 1201 K HN 0.297 nan 8.250 nan 0.000 0.446 1202 L N 0.307 121.545 121.223 0.024 0.000 2.109 1202 L HA -0.141 4.199 4.340 0.000 0.000 0.207 1202 L C 2.681 179.316 176.870 -0.391 0.000 1.086 1202 L CA 0.958 55.855 54.840 0.095 0.000 0.760 1202 L CB -0.254 42.030 42.059 0.376 0.000 0.910 1202 L HN 0.183 nan 8.230 nan 0.000 0.437 1203 R N 0.452 120.570 120.500 -0.637 0.000 2.092 1203 R HA -0.162 4.178 4.340 0.000 0.000 0.231 1203 R C 2.001 177.926 176.300 -0.625 0.000 1.119 1203 R CA 1.417 56.857 56.100 -1.099 0.000 0.970 1203 R CB -0.022 29.885 30.300 -0.656 0.000 0.864 1203 R HN 0.394 nan 8.270 nan 0.000 0.440 1204 E N 0.483 120.452 120.200 -0.386 0.000 2.106 1204 E HA -0.173 4.177 4.350 0.000 0.000 0.192 1204 E C 2.078 178.438 176.600 -0.400 0.000 0.984 1204 E CA 1.102 57.315 56.400 -0.311 0.000 0.806 1204 E CB -0.047 29.555 29.700 -0.164 0.000 0.750 1204 E HN 0.377 nan 8.360 nan 0.000 0.458 1205 L N 0.755 121.710 121.223 -0.448 0.000 2.093 1205 L HA -0.146 4.194 4.340 0.000 0.000 0.208 1205 L C 2.481 179.164 176.870 -0.312 0.000 1.085 1205 L CA 0.735 55.321 54.840 -0.423 0.000 0.755 1205 L CB -0.189 41.697 42.059 -0.289 0.000 0.904 1205 L HN 0.053 nan 8.230 nan 0.000 0.435 1206 S N -0.382 115.067 115.700 -0.419 0.000 2.368 1206 S HA -0.179 4.291 4.470 0.000 0.000 0.224 1206 S C 1.808 175.976 174.600 -0.721 0.000 1.029 1206 S CA 1.169 58.979 58.200 -0.650 0.000 0.988 1206 S CB -0.144 62.473 63.200 -0.971 0.000 0.838 1206 S HN 0.437 nan 8.310 nan 0.000 0.462 1207 E N 0.672 120.551 120.200 -0.535 0.000 2.085 1207 E HA -0.154 4.196 4.350 0.000 0.000 0.194 1207 E C 2.053 178.525 176.600 -0.214 0.000 0.994 1207 E CA 0.972 57.160 56.400 -0.354 0.000 0.801 1207 E CB -0.222 29.317 29.700 -0.267 0.000 0.743 1207 E HN 0.254 nan 8.360 nan 0.000 0.453 1208 L N 0.576 121.679 121.223 -0.200 0.000 2.093 1208 L HA -0.132 4.208 4.340 0.000 0.000 0.208 1208 L C 2.322 179.200 176.870 0.012 0.000 1.085 1208 L CA 1.669 56.460 54.840 -0.082 0.000 0.755 1208 L CB -0.552 41.424 42.059 -0.139 0.000 0.904 1208 L HN -0.025 nan 8.230 nan 0.000 0.435 1209 S N -0.837 114.840 115.700 -0.038 0.000 2.348 1209 S HA -0.189 4.281 4.470 0.000 0.000 0.221 1209 S C 2.018 176.639 174.600 0.036 0.000 1.033 1209 S CA 1.683 59.929 58.200 0.077 0.000 1.010 1209 S CB -0.544 62.758 63.200 0.170 0.000 0.891 1209 S HN 0.434 nan 8.310 nan 0.000 0.442 1210 L N 1.568 122.723 121.223 -0.114 0.000 2.083 1210 L HA 0.078 4.418 4.340 0.000 0.000 0.209 1210 L C 2.185 179.069 176.870 0.023 0.000 1.083 1210 L CA 1.455 56.262 54.840 -0.055 0.000 0.752 1210 L CB -0.786 41.169 42.059 -0.172 0.000 0.899 1210 L HN 0.348 nan 8.230 nan 0.000 0.433 1211 L N -0.539 120.726 121.223 0.071 0.000 2.046 1211 L HA -0.159 4.182 4.340 0.000 0.000 0.208 1211 L C 2.622 179.566 176.870 0.123 0.000 1.077 1211 L CA 2.255 57.188 54.840 0.155 0.000 0.747 1211 L CB -1.147 40.991 42.059 0.132 0.000 0.896 1211 L HN 0.653 nan 8.230 nan 0.000 0.432 1212 S N -1.350 114.409 115.700 0.099 0.000 2.522 1212 S HA -0.118 4.352 4.470 0.000 0.000 0.227 1212 S C 2.014 176.590 174.600 -0.040 0.000 0.986 1212 S CA 0.500 58.743 58.200 0.071 0.000 0.929 1212 S CB -0.481 62.782 63.200 0.105 0.000 0.769 1212 S HN 0.487 nan 8.310 nan 0.000 0.529 1213 L N -0.330 120.834 121.223 -0.099 0.000 2.027 1213 L HA 0.017 4.358 4.340 0.000 0.000 0.206 1213 L C 1.848 178.619 176.870 -0.166 0.000 1.074 1213 L CA 1.581 56.280 54.840 -0.234 0.000 0.745 1213 L CB -0.170 41.599 42.059 -0.483 0.000 0.898 1213 L HN 0.371 nan 8.230 nan 0.000 0.433 1214 Y N -1.346 119.011 120.300 0.095 0.000 2.458 1214 Y HA 0.293 4.843 4.550 0.000 0.000 0.254 1214 Y C 1.244 177.188 175.900 0.072 0.000 1.120 1214 Y CA -0.222 57.929 58.100 0.086 0.000 1.282 1214 Y CB 0.654 39.106 38.460 -0.015 0.000 1.109 1214 Y HN 0.205 nan 8.280 nan 0.000 0.526 1215 G N -1.162 107.755 108.800 0.195 0.000 3.107 1215 G HA2 0.418 4.378 3.960 0.000 0.000 0.233 1215 G HA3 0.418 4.378 3.960 0.000 0.000 0.233 1215 G C 0.048 175.028 174.900 0.133 0.000 1.168 1215 G CA -0.018 45.172 45.100 0.150 0.000 0.801 1215 G HN -0.077 nan 8.290 nan 0.000 0.605 1216 I N -0.995 119.653 120.570 0.130 0.000 4.300 1216 I HA -0.211 3.960 4.170 0.000 0.000 0.079 1216 I C 0.339 176.561 176.117 0.174 0.000 0.562 1216 I CA 2.306 63.697 61.300 0.150 0.000 1.126 1216 I CB -1.707 36.409 38.000 0.194 0.000 1.002 1216 I HN 0.804 nan 8.210 nan 0.000 0.174 1217 H N 3.002 122.098 119.070 0.042 0.000 2.744 1217 H HA 0.470 5.026 4.556 0.000 0.000 0.339 1217 H C 0.175 175.508 175.328 0.009 0.000 1.004 1217 H CA -0.553 55.506 56.048 0.017 0.000 1.257 1217 H CB 1.023 30.780 29.762 -0.008 0.000 1.552 1217 H HN 0.110 nan 8.280 nan 0.000 0.522 1218 K N 3.535 123.675 120.400 -0.433 0.000 3.156 1218 K HA -0.335 3.985 4.320 0.000 0.000 0.266 1218 K C 1.280 177.831 176.600 -0.082 0.000 0.966 1218 K CA 1.001 57.115 56.287 -0.288 0.000 0.719 1218 K CB -0.551 31.730 32.500 -0.365 0.000 1.333 1218 K HN 0.859 nan 8.250 nan 0.000 0.468 1219 Q N 1.252 121.038 119.800 -0.024 0.000 2.062 1219 Q HA -0.280 4.060 4.340 0.000 0.000 0.209 1219 Q C 1.693 177.718 176.000 0.042 0.000 0.996 1219 Q CA 2.113 57.941 55.803 0.042 0.000 0.859 1219 Q CB 0.067 28.833 28.738 0.047 0.000 0.920 1219 Q HN 0.300 nan 8.270 nan 0.000 0.415 1220 K N 0.731 121.136 120.400 0.009 0.000 2.020 1220 K HA -0.224 4.096 4.320 0.000 0.000 0.212 1220 K C 1.826 178.441 176.600 0.025 0.000 1.050 1220 K CA 2.006 58.298 56.287 0.008 0.000 0.929 1220 K CB -0.324 32.169 32.500 -0.010 0.000 0.714 1220 K HN 0.383 nan 8.250 nan 0.000 0.443 1221 E N 0.421 120.629 120.200 0.014 0.000 2.110 1221 E HA -0.212 4.138 4.350 0.000 0.000 0.193 1221 E C 1.548 178.207 176.600 0.098 0.000 0.988 1221 E CA 1.470 57.889 56.400 0.031 0.000 0.804 1221 E CB 0.077 29.775 29.700 -0.003 0.000 0.745 1221 E HN 0.204 nan 8.360 nan 0.000 0.458 1222 K N -0.003 120.479 120.400 0.137 0.000 2.057 1222 K HA -0.067 4.254 4.320 0.000 0.000 0.207 1222 K C 2.388 179.134 176.600 0.243 0.000 1.049 1222 K CA 1.376 57.836 56.287 0.287 0.000 0.931 1222 K CB -0.080 32.617 32.500 0.328 0.000 0.714 1222 K HN 0.010 nan 8.250 nan 0.000 0.440 1223 S N 0.976 116.759 115.700 0.139 0.000 2.383 1223 S HA -0.134 4.336 4.470 0.000 0.000 0.229 1223 S C 1.766 176.418 174.600 0.087 0.000 1.030 1223 S CA 1.210 59.450 58.200 0.067 0.000 1.002 1223 S CB -0.166 63.043 63.200 0.015 0.000 0.829 1223 S HN 0.284 nan 8.310 nan 0.000 0.467 1224 R N 0.482 121.044 120.500 0.104 0.000 2.148 1224 R HA 0.087 4.428 4.340 0.000 0.000 0.227 1224 R C 1.569 178.001 176.300 0.220 0.000 1.103 1224 R CA 0.840 57.012 56.100 0.120 0.000 0.983 1224 R CB -0.252 30.094 30.300 0.076 0.000 0.874 1224 R HN 0.396 nan 8.270 nan 0.000 0.451 1225 L N -0.326 121.049 121.223 0.254 0.000 2.585 1225 L HA 0.071 4.411 4.340 0.000 0.000 0.226 1225 L C 1.479 178.666 176.870 0.528 0.000 1.113 1225 L CA 0.140 55.229 54.840 0.416 0.000 0.876 1225 L CB 0.093 42.322 42.059 0.284 0.000 1.072 1225 L HN 0.092 nan 8.230 nan 0.000 0.468 1226 Q N -0.354 119.603 119.800 0.262 0.000 2.282 1226 Q HA 0.261 4.601 4.340 0.000 0.000 0.193 1226 Q C 1.882 177.859 176.000 -0.039 0.000 0.742 1226 Q CA 0.693 56.539 55.803 0.071 0.000 0.560 1226 Q CB -0.878 27.842 28.738 -0.030 0.000 2.766 1226 Q HN 0.111 nan 8.270 nan 0.000 0.318 1227 G N 0.934 109.604 108.800 -0.217 0.000 2.469 1227 G HA2 -0.249 3.711 3.960 0.000 0.000 0.220 1227 G HA3 -0.249 3.711 3.960 0.000 0.000 0.220 1227 G C 1.325 176.162 174.900 -0.106 0.000 1.136 1227 G CA 1.292 46.238 45.100 -0.257 0.000 0.759 1227 G HN 0.477 nan 8.290 nan 0.000 0.562 1228 G N 0.392 109.174 108.800 -0.029 0.000 2.517 1228 G HA2 -0.188 3.772 3.960 0.000 0.000 0.222 1228 G HA3 -0.188 3.772 3.960 0.000 0.000 0.222 1228 G C 1.723 176.644 174.900 0.034 0.000 1.109 1228 G CA 1.283 46.391 45.100 0.012 0.000 0.746 1228 G HN 0.380 nan 8.290 nan 0.000 0.576 1229 V N 0.461 120.416 119.914 0.068 0.000 2.358 1229 V HA -0.105 4.015 4.120 0.000 0.000 0.246 1229 V C 2.600 178.696 176.094 0.002 0.000 1.047 1229 V CA 1.521 63.849 62.300 0.046 0.000 1.035 1229 V CB -0.469 31.403 31.823 0.081 0.000 0.658 1229 V HN 0.362 nan 8.190 nan 0.000 0.452 1230 L N -0.038 121.173 121.223 -0.021 0.000 2.156 1230 L HA -0.031 4.309 4.340 0.000 0.000 0.208 1230 L C 2.318 179.164 176.870 -0.040 0.000 1.095 1230 L CA 1.597 56.388 54.840 -0.082 0.000 0.770 1230 L CB -0.511 41.458 42.059 -0.150 0.000 0.914 1230 L HN 0.114 nan 8.230 nan 0.000 0.439 1231 V N 0.193 120.099 119.914 -0.014 0.000 2.295 1231 V HA -0.343 3.777 4.120 0.000 0.000 0.246 1231 V C 2.455 178.594 176.094 0.074 0.000 1.049 1231 V CA 2.137 64.466 62.300 0.049 0.000 1.024 1231 V CB -0.927 30.912 31.823 0.028 0.000 0.648 1231 V HN 0.665 nan 8.190 nan 0.000 0.447 1232 N N -0.245 118.475 118.700 0.033 0.000 2.069 1232 N HA -0.281 4.460 4.740 0.000 0.000 0.191 1232 N C 1.962 177.469 175.510 -0.005 0.000 1.031 1232 N CA 1.682 54.743 53.050 0.019 0.000 0.852 1232 N CB 0.048 38.535 38.487 -0.000 0.000 1.018 1232 N HN 0.527 nan 8.380 nan 0.000 0.423 1233 E N 1.080 121.270 120.200 -0.017 0.000 2.038 1233 E HA -0.133 4.217 4.350 0.000 0.000 0.195 1233 E C 1.986 178.610 176.600 0.039 0.000 1.000 1233 E CA 1.357 57.730 56.400 -0.044 0.000 0.803 1233 E CB -0.272 29.417 29.700 -0.019 0.000 0.750 1233 E HN 0.459 nan 8.360 nan 0.000 0.448 1234 I N 0.048 120.719 120.570 0.168 0.000 2.202 1234 I HA -0.212 3.959 4.170 0.000 0.000 0.242 1234 I C 2.345 178.599 176.117 0.228 0.000 1.091 1234 I CA 0.691 62.184 61.300 0.322 0.000 1.368 1234 I CB -0.369 37.812 38.000 0.300 0.000 1.058 1234 I HN 0.219 nan 8.210 nan 0.000 0.410 1235 L N 1.467 122.789 121.223 0.165 0.000 2.042 1235 L HA -0.215 4.125 4.340 0.000 0.000 0.210 1235 L C 2.033 178.908 176.870 0.007 0.000 1.076 1235 L CA 2.001 56.919 54.840 0.129 0.000 0.749 1235 L CB -1.028 41.144 42.059 0.188 0.000 0.893 1235 L HN 0.182 nan 8.230 nan 0.000 0.432 1236 N N -1.038 117.633 118.700 -0.049 0.000 2.223 1236 N HA -0.172 4.569 4.740 0.000 0.000 0.185 1236 N C 1.834 177.210 175.510 -0.224 0.000 1.016 1236 N CA 1.200 54.161 53.050 -0.149 0.000 0.863 1236 N CB -0.396 37.981 38.487 -0.182 0.000 0.983 1236 N HN 0.513 nan 8.380 nan 0.000 0.429 1237 H N 0.212 119.211 119.070 -0.119 0.000 2.357 1237 H HA 0.098 4.654 4.556 0.000 0.000 0.301 1237 H C 1.992 176.898 175.328 -0.704 0.000 1.082 1237 H CA 0.993 56.862 56.048 -0.298 0.000 1.342 1237 H CB -0.094 29.650 29.762 -0.030 0.000 1.389 1237 H HN 0.264 nan 8.280 nan 0.000 0.511 1238 M N 0.361 119.770 119.600 -0.317 0.000 2.159 1238 M HA -0.144 4.336 4.480 0.000 0.000 0.263 1238 M C 2.164 178.217 176.300 -0.411 0.000 1.063 1238 M CA 1.394 56.480 55.300 -0.355 0.000 1.110 1238 M CB -0.152 32.400 32.600 -0.081 0.000 1.374 1238 M HN 0.111 nan 8.290 nan 0.000 0.411 1239 K N -0.025 120.179 120.400 -0.328 0.000 2.097 1239 K HA -0.086 4.235 4.320 0.000 0.000 0.205 1239 K C 2.066 178.417 176.600 -0.415 0.000 1.050 1239 K CA 1.017 57.112 56.287 -0.319 0.000 0.938 1239 K CB -0.089 32.287 32.500 -0.206 0.000 0.718 1239 K HN 0.351 nan 8.250 nan 0.000 0.442 1240 R N 0.219 120.398 120.500 -0.535 0.000 2.115 1240 R HA 0.014 4.354 4.340 0.000 0.000 0.226 1240 R C 2.197 177.987 176.300 -0.850 0.000 1.100 1240 R CA 0.924 56.625 56.100 -0.665 0.000 0.980 1240 R CB -0.155 29.677 30.300 -0.780 0.000 0.875 1240 R HN 0.128 nan 8.270 nan 0.000 0.445 1241 A N 0.048 122.284 122.820 -0.973 0.000 2.121 1241 A HA -0.093 4.227 4.320 0.000 0.000 0.218 1241 A C 1.957 179.291 177.584 -0.417 0.000 1.154 1241 A CA 1.374 53.017 52.037 -0.657 0.000 0.679 1241 A CB -0.287 18.385 19.000 -0.545 0.000 0.795 1241 A HN 0.175 nan 8.150 nan 0.000 0.458 1242 T N -1.868 112.360 114.554 -0.544 0.000 3.065 1242 T HA 0.070 4.421 4.350 0.000 0.000 0.252 1242 T C 1.729 176.222 174.700 -0.345 0.000 1.099 1242 T CA 1.198 62.898 62.100 -0.668 0.000 1.063 1242 T CB -0.020 68.312 68.868 -0.892 0.000 0.948 1242 T HN 0.657 nan 8.240 nan 0.000 0.506 1243 Q N -0.545 119.083 119.800 -0.287 0.000 2.471 1243 Q HA 0.310 4.650 4.340 0.000 0.000 0.259 1243 Q C -0.082 175.844 176.000 -0.123 0.000 0.850 1243 Q CA 0.044 55.741 55.803 -0.176 0.000 0.981 1243 Q CB 0.703 29.337 28.738 -0.174 0.000 1.180 1243 Q HN 0.403 nan 8.270 nan 0.000 0.571 1244 I N 3.752 124.237 120.570 -0.142 0.000 2.325 1244 I HA 0.295 4.466 4.170 0.000 0.000 0.291 1244 I C -2.218 173.909 176.117 0.016 0.000 1.019 1244 I CA -2.154 59.125 61.300 -0.035 0.000 1.302 1244 I CB 1.283 39.314 38.000 0.051 0.000 1.401 1244 I HN 0.041 nan 8.210 nan 0.000 0.485 1245 P HA 0.120 nan 4.420 nan 0.000 0.271 1245 P C 0.096 177.421 177.300 0.042 0.000 1.218 1245 P CA -0.005 63.107 63.100 0.020 0.000 0.780 1245 P CB 0.738 32.439 31.700 0.001 0.000 0.901 1246 S N -1.050 114.674 115.700 0.039 0.000 3.587 1246 S HA -0.245 4.225 4.470 0.000 0.000 0.337 1246 S C 0.238 174.858 174.600 0.033 0.000 1.119 1246 S CA 0.493 58.704 58.200 0.018 0.000 0.976 1246 S CB -2.291 60.896 63.200 -0.022 0.000 0.922 1246 S HN 0.553 nan 8.310 nan 0.000 0.503 1247 Y N 1.274 121.552 120.300 -0.036 0.000 2.220 1247 Y HA 0.421 4.971 4.550 0.000 0.000 0.347 1247 Y C 0.742 176.642 175.900 -0.000 0.000 1.311 1247 Y CA -0.127 57.950 58.100 -0.039 0.000 1.593 1247 Y CB 0.391 38.808 38.460 -0.071 0.000 1.419 1247 Y HN 0.054 nan 8.280 nan 0.000 0.614 1248 K N 1.997 122.032 120.400 -0.607 0.000 2.527 1248 K HA -0.032 4.288 4.320 0.000 0.000 0.278 1248 K C 0.677 177.428 176.600 0.251 0.000 0.981 1248 K CA 0.397 56.555 56.287 -0.214 0.000 1.009 1248 K CB 0.457 32.772 32.500 -0.309 0.000 0.895 1248 K HN 0.539 nan 8.250 nan 0.000 0.493 1249 K N 1.266 121.754 120.400 0.147 0.000 2.141 1249 K HA 0.090 4.410 4.320 0.000 0.000 0.202 1249 K C 0.224 176.952 176.600 0.212 0.000 1.045 1249 K CA 0.515 56.910 56.287 0.180 0.000 0.971 1249 K CB -0.039 32.310 32.500 -0.250 0.000 0.795 1249 K HN 0.425 nan 8.250 nan 0.000 0.459 1250 L N 0.408 121.683 121.223 0.086 0.000 2.422 1250 L HA 0.500 4.840 4.340 0.000 0.000 0.264 1250 L C -1.505 175.375 176.870 0.017 0.000 0.984 1250 L CA -0.473 54.353 54.840 -0.024 0.000 0.819 1250 L CB 1.850 43.945 42.059 0.059 0.000 1.330 1250 L HN -0.050 nan 8.230 nan 0.000 0.410 1251 I N 5.139 125.659 120.570 -0.083 0.000 2.447 1251 I HA 0.417 4.587 4.170 0.000 0.000 0.287 1251 I C -0.803 175.195 176.117 -0.198 0.000 1.023 1251 I CA -0.433 60.803 61.300 -0.106 0.000 1.083 1251 I CB 1.979 39.891 38.000 -0.146 0.000 1.245 1251 I HN 0.614 nan 8.210 nan 0.000 0.434 1252 M N 6.161 125.645 119.600 -0.192 0.000 2.205 1252 M HA 0.417 4.898 4.480 0.000 0.000 0.344 1252 M C -1.480 174.598 176.300 -0.370 0.000 1.085 1252 M CA -0.385 54.830 55.300 -0.141 0.000 1.001 1252 M CB 1.358 34.041 32.600 0.139 0.000 1.626 1252 M HN 0.346 nan 8.290 nan 0.000 0.442 1253 Y N 1.118 121.289 120.300 -0.215 0.000 2.388 1253 Y HA 0.319 4.869 4.550 0.000 0.000 0.328 1253 Y C 0.232 175.765 175.900 -0.612 0.000 0.963 1253 Y CA -0.696 57.266 58.100 -0.231 0.000 1.240 1253 Y CB 1.615 40.025 38.460 -0.084 0.000 1.118 1253 Y HN 0.527 nan 8.280 nan 0.000 0.484 1254 S N 3.228 118.770 115.700 -0.264 0.000 2.411 1254 S HA 0.814 5.284 4.470 0.000 0.000 0.294 1254 S C -0.120 174.478 174.600 -0.002 0.000 1.115 1254 S CA 0.007 58.102 58.200 -0.175 0.000 1.071 1254 S CB -0.058 63.261 63.200 0.198 0.000 0.967 1254 S HN 0.815 nan 8.310 nan 0.000 0.488 1255 A N 5.009 127.835 122.820 0.010 0.000 4.106 1255 A HA 0.723 5.043 4.320 0.000 0.000 0.175 1255 A C -0.688 176.807 177.584 -0.148 0.000 0.668 1255 A CA -0.641 51.373 52.037 -0.038 0.000 0.819 1255 A CB 0.586 19.659 19.000 0.122 0.000 1.738 1255 A HN 0.844 nan 8.150 nan 0.000 0.848 1256 H N -0.449 118.771 119.070 0.250 0.000 2.824 1256 H HA 0.280 4.836 4.556 0.000 0.000 0.345 1256 H C -0.219 175.219 175.328 0.183 0.000 1.252 1256 H CA 0.191 56.394 56.048 0.258 0.000 1.246 1256 H CB 1.002 30.924 29.762 0.267 0.000 1.908 1256 H HN 0.741 nan 8.280 nan 0.000 0.601 1257 D N -0.532 120.069 120.400 0.336 0.000 2.264 1257 D HA -0.105 4.535 4.640 0.000 0.000 0.208 1257 D C 1.240 177.697 176.300 0.261 0.000 0.966 1257 D CA 0.973 55.146 54.000 0.287 0.000 0.864 1257 D CB -0.543 40.465 40.800 0.345 0.000 0.933 1257 D HN 0.316 nan 8.370 nan 0.000 0.499 1258 T N -0.447 114.266 114.554 0.265 0.000 2.985 1258 T HA -0.043 4.308 4.350 0.000 0.000 0.266 1258 T C 1.762 176.511 174.700 0.083 0.000 1.076 1258 T CA 1.549 63.772 62.100 0.204 0.000 1.135 1258 T CB -0.211 68.707 68.868 0.084 0.000 0.890 1258 T HN 0.287 nan 8.240 nan 0.000 0.480 1259 T N 1.569 116.168 114.554 0.075 0.000 2.809 1259 T HA 0.004 4.355 4.350 0.000 0.000 0.260 1259 T C 2.211 176.847 174.700 -0.107 0.000 1.039 1259 T CA 0.598 62.678 62.100 -0.033 0.000 1.141 1259 T CB -0.472 68.432 68.868 0.061 0.000 0.869 1259 T HN 0.124 nan 8.240 nan 0.000 0.437 1260 V N 2.592 122.494 119.914 -0.020 0.000 2.295 1260 V HA -0.180 3.940 4.120 0.000 0.000 0.246 1260 V C 2.934 178.889 176.094 -0.231 0.000 1.049 1260 V CA 2.128 64.386 62.300 -0.069 0.000 1.024 1260 V CB -0.925 30.957 31.823 0.099 0.000 0.648 1260 V HN 0.676 nan 8.190 nan 0.000 0.447 1261 S N 0.633 116.192 115.700 -0.236 0.000 2.406 1261 S HA -0.059 4.411 4.470 0.000 0.000 0.228 1261 S C 2.085 176.257 174.600 -0.715 0.000 1.020 1261 S CA 1.279 59.126 58.200 -0.589 0.000 0.965 1261 S CB -0.714 62.169 63.200 -0.529 0.000 0.798 1261 S HN 0.526 nan 8.310 nan 0.000 0.488 1262 G N 1.795 110.159 108.800 -0.728 0.000 2.402 1262 G HA2 -0.077 3.883 3.960 0.000 0.000 0.216 1262 G HA3 -0.077 3.883 3.960 0.000 0.000 0.216 1262 G C 1.377 175.822 174.900 -0.759 0.000 1.162 1262 G CA 0.961 45.263 45.100 -1.330 0.000 0.777 1262 G HN 0.482 nan 8.290 nan 0.000 0.539 1263 L N 0.321 121.238 121.223 -0.511 0.000 2.027 1263 L HA 0.044 4.384 4.340 0.000 0.000 0.206 1263 L C 2.767 179.412 176.870 -0.375 0.000 1.074 1263 L CA 1.891 56.496 54.840 -0.391 0.000 0.745 1263 L CB -0.642 41.197 42.059 -0.367 0.000 0.898 1263 L HN 0.292 nan 8.230 nan 0.000 0.433 1264 Q N -1.488 118.065 119.800 -0.412 0.000 2.230 1264 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 1264 Q C 2.041 177.944 176.000 -0.162 0.000 0.963 1264 Q CA 1.195 56.836 55.803 -0.270 0.000 0.866 1264 Q CB -0.099 28.520 28.738 -0.199 0.000 0.931 1264 Q HN 0.470 nan 8.270 nan 0.000 0.452 1265 M N -0.274 119.162 119.600 -0.274 0.000 2.200 1265 M HA -0.041 4.439 4.480 0.000 0.000 0.265 1265 M C 2.204 178.425 176.300 -0.131 0.000 1.066 1265 M CA 1.048 56.250 55.300 -0.163 0.000 1.127 1265 M CB -0.801 31.654 32.600 -0.241 0.000 1.379 1265 M HN 0.209 nan 8.290 nan 0.000 0.420 1266 A N 0.382 123.081 122.820 -0.201 0.000 1.873 1266 A HA -0.094 4.226 4.320 0.000 0.000 0.215 1266 A C 2.152 179.678 177.584 -0.097 0.000 1.186 1266 A CA 1.196 53.152 52.037 -0.135 0.000 0.616 1266 A CB -0.887 18.020 19.000 -0.156 0.000 0.823 1266 A HN 0.469 nan 8.150 nan 0.000 0.442 1267 L N -1.165 119.997 121.223 -0.102 0.000 2.376 1267 L HA -0.052 4.288 4.340 0.000 0.000 0.219 1267 L C 0.552 177.395 176.870 -0.045 0.000 1.133 1267 L CA 0.786 55.583 54.840 -0.072 0.000 0.816 1267 L CB -0.475 41.573 42.059 -0.018 0.000 0.933 1267 L HN 0.485 nan 8.230 nan 0.000 0.449 1268 D N -0.450 119.931 120.400 -0.031 0.000 2.737 1268 D HA -0.137 4.503 4.640 0.000 0.000 0.243 1268 D C 0.297 176.615 176.300 0.031 0.000 1.109 1268 D CA 0.852 54.855 54.000 0.005 0.000 0.702 1268 D CB -0.707 40.088 40.800 -0.008 0.000 1.068 1268 D HN 0.192 nan 8.370 nan 0.000 0.432 1269 V N -1.674 118.271 119.914 0.052 0.000 3.355 1269 V HA 0.355 4.475 4.120 0.000 0.000 0.330 1269 V C 0.167 176.321 176.094 0.100 0.000 1.479 1269 V CA -0.710 61.633 62.300 0.072 0.000 1.150 1269 V CB -0.337 31.541 31.823 0.091 0.000 1.044 1269 V HN 0.229 nan 8.190 nan 0.000 0.501 1270 Y N 4.326 124.595 120.300 -0.051 0.000 2.377 1270 Y HA 0.440 4.990 4.550 0.000 0.000 0.330 1270 Y C 1.312 177.201 175.900 -0.018 0.000 1.108 1270 Y CA -0.308 57.754 58.100 -0.063 0.000 1.308 1270 Y CB 1.260 39.684 38.460 -0.060 0.000 1.216 1270 Y HN 0.507 nan 8.280 nan 0.000 0.518 1271 N N 2.937 121.415 118.700 -0.370 0.000 2.383 1271 N HA 0.116 4.856 4.740 0.000 0.000 0.192 1271 N C 1.300 176.475 175.510 -0.559 0.000 1.141 1271 N CA 0.587 53.432 53.050 -0.343 0.000 0.851 1271 N CB -0.016 38.370 38.487 -0.168 0.000 0.976 1271 N HN 0.969 nan 8.380 nan 0.000 0.465 1272 G N -0.413 107.663 108.800 -1.207 0.000 2.234 1272 G HA2 -0.287 3.673 3.960 0.000 0.000 0.260 1272 G HA3 -0.287 3.673 3.960 0.000 0.000 0.260 1272 G C -0.169 174.398 174.900 -0.554 0.000 0.987 1272 G CA 0.545 45.152 45.100 -0.822 0.000 0.625 1272 G HN 0.368 nan 8.290 nan 0.000 0.532 1273 L N 0.910 121.839 121.223 -0.490 0.000 2.399 1273 L HA 0.533 4.873 4.340 0.000 0.000 0.266 1273 L C 1.266 178.115 176.870 -0.034 0.000 1.114 1273 L CA -1.100 53.615 54.840 -0.208 0.000 0.804 1273 L CB 0.925 42.895 42.059 -0.147 0.000 1.146 1273 L HN 0.014 nan 8.230 nan 0.000 0.451 1274 L N 2.879 124.089 121.223 -0.022 0.000 2.513 1274 L HA 0.127 4.467 4.340 0.000 0.000 0.272 1274 L C -2.018 174.938 176.870 0.142 0.000 1.187 1274 L CA -1.639 53.240 54.840 0.064 0.000 0.895 1274 L CB -0.048 41.995 42.059 -0.026 0.000 1.147 1274 L HN 0.278 nan 8.230 nan 0.000 0.483 1275 P HA 0.110 nan 4.420 nan 0.000 0.266 1275 P C -2.374 175.015 177.300 0.147 0.000 1.215 1275 P CA -0.706 62.568 63.100 0.291 0.000 0.763 1275 P CB 0.241 32.138 31.700 0.327 0.000 0.806 1276 P HA 0.089 nan 4.420 nan 0.000 0.274 1276 P C -0.470 176.869 177.300 0.065 0.000 1.246 1276 P CA -0.286 62.808 63.100 -0.011 0.000 0.795 1276 P CB 0.310 32.002 31.700 -0.013 0.000 1.006 1277 Y N 0.549 120.918 120.300 0.114 0.000 2.811 1277 Y HA 0.051 4.601 4.550 0.000 0.000 0.334 1277 Y C 1.750 177.671 175.900 0.035 0.000 1.247 1277 Y CA 0.336 58.487 58.100 0.085 0.000 1.526 1277 Y CB -0.228 38.315 38.460 0.138 0.000 1.284 1277 Y HN 0.575 nan 8.280 nan 0.000 0.586 1278 A N 1.526 124.465 122.820 0.199 0.000 2.829 1278 A HA -0.269 4.051 4.320 0.000 0.000 0.267 1278 A C 0.793 178.385 177.584 0.014 0.000 1.370 1278 A CA 0.742 52.735 52.037 -0.072 0.000 0.900 1278 A CB -2.342 16.447 19.000 -0.351 0.000 1.044 1278 A HN 0.891 nan 8.150 nan 0.000 0.691 1279 S N -1.315 114.468 115.700 0.139 0.000 2.562 1279 S HA 0.454 4.925 4.470 0.000 0.000 0.281 1279 S C 0.143 174.942 174.600 0.331 0.000 1.333 1279 S CA 0.033 58.318 58.200 0.143 0.000 1.052 1279 S CB 1.436 64.738 63.200 0.170 0.000 0.884 1279 S HN 1.668 nan 8.310 nan 0.000 0.506 1280 C N 3.401 122.904 119.300 0.338 0.000 2.396 1280 C HA 0.562 5.022 4.460 0.000 0.000 0.321 1280 C C -0.560 174.781 174.990 0.585 0.000 1.233 1280 C CA -0.632 58.678 59.018 0.487 0.000 1.440 1280 C CB 0.057 28.035 27.740 0.396 0.000 2.110 1280 C HN 1.116 nan 8.230 nan 0.000 0.473 1281 H N 6.045 125.390 119.070 0.458 0.000 2.652 1281 H HA 0.570 5.126 4.556 0.000 0.000 0.298 1281 H C -0.616 174.915 175.328 0.338 0.000 1.076 1281 H CA -0.248 56.019 56.048 0.366 0.000 1.360 1281 H CB 0.467 30.338 29.762 0.181 0.000 1.421 1281 H HN 0.609 nan 8.280 nan 0.000 0.464 1282 L N 5.628 126.870 121.223 0.033 0.000 2.295 1282 L HA 0.356 4.696 4.340 0.000 0.000 0.285 1282 L C -0.105 176.798 176.870 0.054 0.000 1.035 1282 L CA -0.432 54.500 54.840 0.154 0.000 0.806 1282 L CB 1.401 43.641 42.059 0.302 0.000 1.214 1282 L HN 0.716 nan 8.230 nan 0.000 0.426 1283 T N 2.509 117.139 114.554 0.126 0.000 2.864 1283 T HA 0.393 4.743 4.350 0.000 0.000 0.299 1283 T C -0.264 174.479 174.700 0.071 0.000 1.011 1283 T CA -0.583 61.590 62.100 0.121 0.000 0.975 1283 T CB 1.394 70.368 68.868 0.177 0.000 0.962 1283 T HN 0.459 nan 8.240 nan 0.000 0.448 1284 E N 2.032 122.297 120.200 0.108 0.000 2.171 1284 E HA 0.527 4.877 4.350 0.000 0.000 0.271 1284 E C -1.047 175.538 176.600 -0.025 0.000 0.916 1284 E CA -0.961 55.420 56.400 -0.030 0.000 0.774 1284 E CB 2.157 31.885 29.700 0.046 0.000 1.128 1284 E HN 0.289 nan 8.360 nan 0.000 0.403 1285 L N 4.021 125.162 121.223 -0.137 0.000 2.276 1285 L HA 0.380 4.720 4.340 0.000 0.000 0.286 1285 L C -1.728 175.101 176.870 -0.069 0.000 1.024 1285 L CA -0.274 54.592 54.840 0.043 0.000 0.826 1285 L CB 0.122 42.295 42.059 0.190 0.000 1.211 1285 L HN 0.445 nan 8.230 nan 0.000 0.422 1286 Y N 4.366 124.816 120.300 0.251 0.000 2.457 1286 Y HA 0.543 5.093 4.550 0.000 0.000 0.333 1286 Y C -0.588 175.506 175.900 0.324 0.000 1.119 1286 Y CA -0.281 57.959 58.100 0.232 0.000 1.143 1286 Y CB 1.767 40.316 38.460 0.148 0.000 1.230 1286 Y HN 0.548 nan 8.280 nan 0.000 0.469 1287 F N 1.847 121.909 119.950 0.187 0.000 2.520 1287 F HA 0.471 4.999 4.527 0.000 0.000 0.322 1287 F C -0.000 175.807 175.800 0.012 0.000 1.103 1287 F CA -0.651 57.281 58.000 -0.113 0.000 0.926 1287 F CB 1.671 40.479 39.000 -0.320 0.000 1.154 1287 F HN 0.702 nan 8.300 nan 0.000 0.453 1288 E N 3.006 122.710 120.200 -0.827 0.000 3.387 1288 E HA 0.288 4.639 4.350 0.000 0.000 0.200 1288 E C -0.369 175.775 176.600 -0.761 0.000 1.248 1288 E CA -0.203 55.826 56.400 -0.618 0.000 1.240 1288 E CB 0.617 30.123 29.700 -0.324 0.000 2.409 1288 E HN 0.579 nan 8.360 nan 0.000 0.533 1289 K N 0.549 120.667 120.400 -0.469 0.000 3.016 1289 K HA 0.329 4.649 4.320 0.000 0.000 0.226 1289 K C -0.117 176.340 176.600 -0.238 0.000 1.245 1289 K CA 0.433 56.542 56.287 -0.297 0.000 1.174 1289 K CB 1.154 33.578 32.500 -0.125 0.000 1.572 1289 K HN 0.551 nan 8.250 nan 0.000 0.462 1290 G N 0.602 109.146 108.800 -0.425 0.000 2.205 1290 G HA2 -0.280 3.680 3.960 0.000 0.000 0.261 1290 G HA3 -0.280 3.680 3.960 0.000 0.000 0.261 1290 G C -0.022 174.964 174.900 0.143 0.000 0.980 1290 G CA 0.021 45.168 45.100 0.078 0.000 0.632 1290 G HN 0.473 nan 8.290 nan 0.000 0.533 1291 E N -1.046 119.101 120.200 -0.089 0.000 2.281 1291 E HA 0.645 4.995 4.350 0.000 0.000 0.262 1291 E C -1.144 175.421 176.600 -0.058 0.000 0.933 1291 E CA -0.920 55.485 56.400 0.009 0.000 0.809 1291 E CB 1.352 31.038 29.700 -0.023 0.000 1.242 1291 E HN 0.198 nan 8.360 nan 0.000 0.418 1292 Y N 0.317 120.617 120.300 0.001 0.000 2.409 1292 Y HA 0.437 4.987 4.550 0.000 0.000 0.339 1292 Y C -0.517 175.223 175.900 -0.267 0.000 1.033 1292 Y CA -0.574 57.575 58.100 0.082 0.000 1.094 1292 Y CB 0.966 39.485 38.460 0.098 0.000 1.210 1292 Y HN 0.330 nan 8.280 nan 0.000 0.456 1293 F N 0.823 120.936 119.950 0.271 0.000 2.563 1293 F HA 0.674 5.201 4.527 0.000 0.000 0.316 1293 F C -0.771 175.151 175.800 0.204 0.000 1.076 1293 F CA -1.353 56.766 58.000 0.199 0.000 0.921 1293 F CB 1.570 40.658 39.000 0.148 0.000 1.209 1293 F HN 0.025 nan 8.300 nan 0.000 0.462 1294 V N 1.762 121.835 119.914 0.264 0.000 2.459 1294 V HA 0.482 4.602 4.120 0.000 0.000 0.295 1294 V C -0.639 175.572 176.094 0.194 0.000 1.029 1294 V CA -0.799 61.564 62.300 0.105 0.000 0.874 1294 V CB 1.629 33.249 31.823 -0.338 0.000 0.985 1294 V HN 0.724 nan 8.190 nan 0.000 0.438 1295 E N 4.666 125.009 120.200 0.238 0.000 2.234 1295 E HA 0.651 5.001 4.350 0.000 0.000 0.266 1295 E C -1.212 175.470 176.600 0.136 0.000 0.877 1295 E CA -0.646 55.874 56.400 0.200 0.000 0.758 1295 E CB 2.587 32.519 29.700 0.386 0.000 1.170 1295 E HN 0.580 nan 8.360 nan 0.000 0.415 1296 M N 2.437 121.980 119.600 -0.096 0.000 2.456 1296 M HA 0.503 4.983 4.480 0.000 0.000 0.324 1296 M C -1.381 174.696 176.300 -0.373 0.000 1.124 1296 M CA -0.707 54.537 55.300 -0.094 0.000 0.959 1296 M CB 1.305 33.912 32.600 0.012 0.000 1.692 1296 M HN 0.482 nan 8.290 nan 0.000 0.444 1297 Y N 0.379 120.692 120.300 0.021 0.000 2.581 1297 Y HA 0.540 5.090 4.550 0.000 0.000 0.345 1297 Y C -1.284 174.726 175.900 0.182 0.000 1.036 1297 Y CA -0.956 57.219 58.100 0.125 0.000 1.042 1297 Y CB 1.640 40.186 38.460 0.144 0.000 1.289 1297 Y HN 0.487 nan 8.280 nan 0.000 0.471 1298 Y N 2.274 122.738 120.300 0.274 0.000 2.349 1298 Y HA 0.452 5.003 4.550 0.000 0.000 0.324 1298 Y C -0.716 175.342 175.900 0.264 0.000 1.005 1298 Y CA -1.863 56.385 58.100 0.247 0.000 1.240 1298 Y CB 1.077 39.682 38.460 0.243 0.000 1.117 1298 Y HN 0.669 nan 8.280 nan 0.000 0.463 1299 R N 5.135 125.721 120.500 0.144 0.000 2.296 1299 R HA 0.218 4.558 4.340 0.000 0.000 0.327 1299 R C -0.067 176.072 176.300 -0.269 0.000 1.137 1299 R CA 0.049 56.120 56.100 -0.049 0.000 1.020 1299 R CB -0.002 30.240 30.300 -0.097 0.000 1.110 1299 R HN 0.773 nan 8.270 nan 0.000 0.499 1300 N N 3.237 121.690 118.700 -0.412 0.000 2.234 1300 N HA -0.002 4.738 4.740 0.000 0.000 0.227 1300 N C -1.371 174.018 175.510 -0.201 0.000 1.151 1300 N CA -0.408 52.350 53.050 -0.487 0.000 0.865 1300 N CB 0.479 38.448 38.487 -0.862 0.000 1.066 1300 N HN 0.717 nan 8.380 nan 0.000 0.515 1301 E N -1.946 118.195 120.200 -0.098 0.000 2.597 1301 E HA 0.057 4.407 4.350 0.000 0.000 0.310 1301 E C -0.308 176.262 176.600 -0.050 0.000 0.970 1301 E CA -0.563 55.820 56.400 -0.029 0.000 0.819 1301 E CB 0.253 29.986 29.700 0.057 0.000 1.267 1301 E HN -0.022 nan 8.360 nan 0.000 0.411 1302 T N -0.033 114.471 114.554 -0.083 0.000 2.833 1302 T HA -0.278 4.072 4.350 0.000 0.000 0.269 1302 T C 1.676 176.300 174.700 -0.126 0.000 1.054 1302 T CA 1.746 63.772 62.100 -0.123 0.000 1.135 1302 T CB -0.331 68.484 68.868 -0.089 0.000 0.869 1302 T HN 0.609 nan 8.240 nan 0.000 0.466 1303 Q N 0.191 119.907 119.800 -0.140 0.000 2.291 1303 Q HA -0.084 4.256 4.340 0.000 0.000 0.206 1303 Q C 0.413 176.174 176.000 -0.397 0.000 0.976 1303 Q CA 0.875 56.522 55.803 -0.261 0.000 0.875 1303 Q CB -0.396 28.149 28.738 -0.322 0.000 0.927 1303 Q HN 0.624 nan 8.270 nan 0.000 0.450 1304 H N 0.755 119.807 119.070 -0.029 0.000 2.834 1304 H HA 0.248 4.804 4.556 0.000 0.000 0.369 1304 H C -0.450 174.812 175.328 -0.112 0.000 1.174 1304 H CA -0.868 55.147 56.048 -0.056 0.000 1.165 1304 H CB 1.394 31.141 29.762 -0.025 0.000 1.820 1304 H HN 0.295 nan 8.280 nan 0.000 0.558 1305 E N 1.483 121.693 120.200 0.015 0.000 2.392 1305 E HA 0.269 4.619 4.350 0.000 0.000 0.259 1305 E C -2.499 174.055 176.600 -0.076 0.000 1.108 1305 E CA -1.786 54.583 56.400 -0.052 0.000 0.916 1305 E CB -0.051 29.634 29.700 -0.024 0.000 0.989 1305 E HN 0.133 nan 8.360 nan 0.000 0.432 1306 P HA -0.115 nan 4.420 nan 0.000 0.266 1306 P C -1.259 176.141 177.300 0.166 0.000 1.186 1306 P CA 0.551 63.727 63.100 0.128 0.000 0.767 1306 P CB 0.096 31.909 31.700 0.189 0.000 0.820 1307 Y N 3.060 123.463 120.300 0.172 0.000 2.336 1307 Y HA 0.261 4.811 4.550 0.000 0.000 0.335 1307 Y C -1.696 174.316 175.900 0.186 0.000 1.046 1307 Y CA -2.243 55.953 58.100 0.159 0.000 1.198 1307 Y CB -0.162 38.374 38.460 0.126 0.000 1.182 1307 Y HN 0.318 nan 8.280 nan 0.000 0.502 1308 P HA 0.096 nan 4.420 nan 0.000 0.267 1308 P C -0.702 176.606 177.300 0.013 0.000 1.205 1308 P CA 0.245 63.327 63.100 -0.031 0.000 0.765 1308 P CB 0.552 32.234 31.700 -0.030 0.000 0.828 1309 L N 3.572 124.752 121.223 -0.071 0.000 2.331 1309 L HA 0.647 4.988 4.340 0.000 0.000 0.275 1309 L C 0.167 177.041 176.870 0.007 0.000 1.022 1309 L CA -0.738 54.120 54.840 0.031 0.000 0.812 1309 L CB 1.649 43.764 42.059 0.093 0.000 1.257 1309 L HN 0.342 nan 8.230 nan 0.000 0.435 1310 M N 3.200 122.829 119.600 0.048 0.000 2.213 1310 M HA 0.342 4.822 4.480 0.000 0.000 0.286 1310 M C -1.541 174.797 176.300 0.063 0.000 1.008 1310 M CA -0.921 54.410 55.300 0.052 0.000 0.937 1310 M CB 2.035 34.657 32.600 0.036 0.000 1.600 1310 M HN 0.354 nan 8.290 nan 0.000 0.450 1311 L N 8.456 129.726 121.223 0.078 0.000 2.462 1311 L HA 0.315 4.655 4.340 0.000 0.000 0.272 1311 L C -1.884 174.997 176.870 0.019 0.000 1.166 1311 L CA -0.722 54.139 54.840 0.035 0.000 0.880 1311 L CB 0.361 42.426 42.059 0.010 0.000 1.142 1311 L HN 0.432 nan 8.230 nan 0.000 0.473 1312 P HA 0.133 nan 4.420 nan 0.000 0.267 1312 P C 0.611 177.910 177.300 -0.002 0.000 1.209 1312 P CA 0.742 63.845 63.100 0.005 0.000 0.763 1312 P CB 0.816 32.516 31.700 0.000 0.000 0.816 1313 G N 1.343 110.148 108.800 0.009 0.000 2.194 1313 G HA2 -0.196 3.764 3.960 0.000 0.000 0.236 1313 G HA3 -0.196 3.764 3.960 0.000 0.000 0.236 1313 G C -0.011 174.904 174.900 0.024 0.000 0.987 1313 G CA -0.024 45.082 45.100 0.010 0.000 0.635 1313 G HN 0.792 nan 8.290 nan 0.000 0.520 1314 c N 1.044 119.666 118.600 0.037 0.000 2.971 1314 c HA 0.878 5.448 4.570 0.000 0.000 0.310 1314 c C 1.096 175.230 174.090 0.074 0.000 1.285 1314 c CA 0.337 56.706 56.329 0.067 0.000 1.593 1314 c CB 1.466 44.033 42.510 0.095 0.000 2.076 1314 c HN 1.159 nan 8.230 nan 0.000 0.472 1315 S N 2.617 118.372 115.700 0.091 0.000 2.669 1315 S HA 0.427 4.897 4.470 0.000 0.000 0.270 1315 S C -2.057 172.596 174.600 0.089 0.000 1.225 1315 S CA -0.646 57.600 58.200 0.078 0.000 0.991 1315 S CB 0.666 63.913 63.200 0.078 0.000 0.987 1315 S HN 0.641 nan 8.310 nan 0.000 0.552 1316 P HA -0.004 nan 4.420 nan 0.000 0.219 1316 P C 0.417 177.754 177.300 0.061 0.000 1.146 1316 P CA 1.048 64.163 63.100 0.024 0.000 0.808 1316 P CB 0.055 31.747 31.700 -0.013 0.000 0.779 1317 S N -0.674 115.085 115.700 0.098 0.000 2.457 1317 S HA 0.271 4.741 4.470 0.000 0.000 0.216 1317 S C -0.356 174.450 174.600 0.342 0.000 1.392 1317 S CA -0.771 57.531 58.200 0.170 0.000 1.102 1317 S CB -1.050 62.155 63.200 0.007 0.000 1.114 1317 S HN 0.038 nan 8.310 nan 0.000 0.484 1318 c N 7.242 126.032 118.600 0.317 0.000 2.482 1318 c HA 0.527 5.098 4.570 0.000 0.000 0.378 1318 c C -2.126 172.113 174.090 0.249 0.000 1.284 1318 c CA -2.035 54.477 56.329 0.304 0.000 1.826 1318 c CB -0.065 42.646 42.510 0.335 0.000 2.473 1318 c HN 0.587 nan 8.230 nan 0.000 0.562 1319 P HA -0.004 nan 4.420 nan 0.000 0.269 1319 P C 0.747 178.012 177.300 -0.059 0.000 1.209 1319 P CA -0.021 62.896 63.100 -0.305 0.000 0.776 1319 P CB 0.547 32.039 31.700 -0.346 0.000 0.876 1320 L N 3.086 124.255 121.223 -0.090 0.000 2.013 1320 L HA -0.219 4.121 4.340 0.000 0.000 0.212 1320 L C 2.219 179.136 176.870 0.078 0.000 1.073 1320 L CA 2.084 56.937 54.840 0.021 0.000 0.753 1320 L CB -1.217 40.836 42.059 -0.009 0.000 0.890 1320 L HN 0.326 nan 8.230 nan 0.000 0.432 1321 E N -0.734 119.478 120.200 0.020 0.000 2.110 1321 E HA -0.253 4.097 4.350 0.000 0.000 0.193 1321 E C 2.382 179.016 176.600 0.056 0.000 0.988 1321 E CA 1.038 57.457 56.400 0.031 0.000 0.804 1321 E CB -0.278 29.424 29.700 0.004 0.000 0.745 1321 E HN 0.346 nan 8.360 nan 0.000 0.458 1322 R N 0.250 120.788 120.500 0.063 0.000 2.073 1322 R HA -0.055 4.285 4.340 0.000 0.000 0.229 1322 R C 2.140 178.498 176.300 0.097 0.000 1.120 1322 R CA 0.823 56.964 56.100 0.067 0.000 0.967 1322 R CB -0.884 29.457 30.300 0.069 0.000 0.862 1322 R HN 0.158 nan 8.270 nan 0.000 0.436 1323 F N 0.536 120.494 119.950 0.014 0.000 2.095 1323 F HA -0.175 4.353 4.527 0.000 0.000 0.298 1323 F C 1.992 177.804 175.800 0.020 0.000 1.104 1323 F CA 1.886 59.904 58.000 0.031 0.000 1.232 1323 F CB -0.526 38.503 39.000 0.048 0.000 0.987 1323 F HN 0.140 nan 8.300 nan 0.000 0.475 1324 A N -0.350 122.609 122.820 0.231 0.000 1.933 1324 A HA -0.238 4.082 4.320 0.000 0.000 0.218 1324 A C 2.218 179.807 177.584 0.009 0.000 1.175 1324 A CA 1.792 53.900 52.037 0.119 0.000 0.628 1324 A CB -0.976 18.088 19.000 0.106 0.000 0.814 1324 A HN 0.599 nan 8.150 nan 0.000 0.444 1325 E N -0.102 120.101 120.200 0.004 0.000 2.047 1325 E HA -0.139 4.212 4.350 0.000 0.000 0.191 1325 E C 1.919 178.487 176.600 -0.052 0.000 0.987 1325 E CA 1.020 57.410 56.400 -0.017 0.000 0.799 1325 E CB -0.221 29.477 29.700 -0.005 0.000 0.752 1325 E HN 0.599 nan 8.360 nan 0.000 0.449 1326 L N 0.441 121.614 121.223 -0.084 0.000 2.131 1326 L HA -0.132 4.208 4.340 0.000 0.000 0.210 1326 L C 2.366 179.139 176.870 -0.161 0.000 1.092 1326 L CA 0.529 55.299 54.840 -0.117 0.000 0.759 1326 L CB -0.017 41.959 42.059 -0.138 0.000 0.903 1326 L HN 0.123 nan 8.230 nan 0.000 0.435 1327 V N -0.571 119.208 119.914 -0.224 0.000 3.354 1327 V HA 0.013 4.133 4.120 0.000 0.000 0.258 1327 V C 2.431 178.464 176.094 -0.102 0.000 1.159 1327 V CA 1.128 63.297 62.300 -0.219 0.000 1.125 1327 V CB -0.017 31.585 31.823 -0.369 0.000 0.774 1327 V HN 0.507 nan 8.190 nan 0.000 0.464 1328 G N 2.061 110.820 108.800 -0.068 0.000 2.529 1328 G HA2 -0.241 3.719 3.960 0.000 0.000 0.219 1328 G HA3 -0.241 3.719 3.960 0.000 0.000 0.219 1328 G C 0.195 175.080 174.900 -0.025 0.000 1.177 1328 G CA 1.323 46.403 45.100 -0.033 0.000 0.773 1328 G HN 0.563 nan 8.290 nan 0.000 0.573 1329 P HA -0.048 nan 4.420 nan 0.000 0.223 1329 P C 1.569 178.861 177.300 -0.013 0.000 1.144 1329 P CA 1.623 64.710 63.100 -0.021 0.000 0.783 1329 P CB -0.183 31.502 31.700 -0.025 0.000 0.771 1330 V N -4.542 115.361 119.914 -0.019 0.000 3.542 1330 V HA 0.300 4.420 4.120 0.000 0.000 0.296 1330 V C 0.860 176.964 176.094 0.016 0.000 1.364 1330 V CA -0.160 62.138 62.300 -0.004 0.000 1.118 1330 V CB -0.763 31.046 31.823 -0.023 0.000 0.972 1330 V HN -0.157 nan 8.190 nan 0.000 0.430 1331 I N 4.576 125.154 120.570 0.015 0.000 2.307 1331 I HA 0.395 4.565 4.170 0.000 0.000 0.289 1331 I C -2.096 174.049 176.117 0.046 0.000 1.021 1331 I CA -2.138 59.182 61.300 0.032 0.000 1.224 1331 I CB 1.946 39.957 38.000 0.018 0.000 1.376 1331 I HN 0.122 nan 8.210 nan 0.000 0.470 1332 P HA -0.004 nan 4.420 nan 0.000 0.267 1332 P C -0.425 176.915 177.300 0.067 0.000 1.200 1332 P CA -0.083 63.073 63.100 0.093 0.000 0.772 1332 P CB 1.070 32.887 31.700 0.194 0.000 0.855 1333 Q N 1.039 120.866 119.800 0.044 0.000 2.250 1333 Q HA 0.024 4.364 4.340 0.000 0.000 0.200 1333 Q C 0.273 176.297 176.000 0.039 0.000 0.941 1333 Q CA 1.351 57.172 55.803 0.029 0.000 0.872 1333 Q CB 0.079 28.825 28.738 0.012 0.000 0.965 1333 Q HN 0.540 nan 8.270 nan 0.000 0.480 1334 D N -1.089 119.340 120.400 0.048 0.000 2.668 1334 D HA 0.034 4.674 4.640 0.000 0.000 0.247 1334 D C 0.042 176.389 176.300 0.078 0.000 1.268 1334 D CA -0.460 53.575 54.000 0.058 0.000 0.842 1334 D CB -0.377 40.435 40.800 0.021 0.000 1.399 1334 D HN -0.025 nan 8.370 nan 0.000 0.530 1335 W N 2.914 124.191 121.300 -0.039 0.000 2.262 1335 W HA -0.345 4.315 4.660 0.000 0.000 0.331 1335 W C 2.158 178.654 176.519 -0.039 0.000 1.315 1335 W CA 2.789 60.107 57.345 -0.046 0.000 1.302 1335 W CB -0.513 28.892 29.460 -0.092 0.000 1.128 1335 W HN 0.355 nan 8.180 nan 0.000 0.482 1336 S N -0.928 114.856 115.700 0.140 0.000 2.369 1336 S HA -0.282 4.188 4.470 0.000 0.000 0.225 1336 S C 1.818 176.316 174.600 -0.171 0.000 1.043 1336 S CA 2.713 60.903 58.200 -0.017 0.000 1.074 1336 S CB -1.043 62.215 63.200 0.098 0.000 0.962 1336 S HN 0.409 nan 8.310 nan 0.000 0.433 1337 T N 2.008 116.504 114.554 -0.097 0.000 2.652 1337 T HA -0.095 4.255 4.350 0.000 0.000 0.267 1337 T C 1.573 176.181 174.700 -0.153 0.000 1.039 1337 T CA 1.587 63.628 62.100 -0.099 0.000 1.153 1337 T CB -0.519 68.316 68.868 -0.055 0.000 0.863 1337 T HN 0.567 nan 8.240 nan 0.000 0.428 1338 E N -0.147 119.942 120.200 -0.184 0.000 2.455 1338 E HA -0.084 4.266 4.350 0.000 0.000 0.202 1338 E C 1.733 178.163 176.600 -0.284 0.000 1.045 1338 E CA 0.349 56.629 56.400 -0.199 0.000 0.872 1338 E CB -0.232 29.366 29.700 -0.171 0.000 0.792 1338 E HN 0.473 nan 8.360 nan 0.000 0.542 1339 c N 0.274 118.629 118.600 -0.408 0.000 2.780 1339 c HA 0.200 4.770 4.570 0.000 0.000 0.267 1339 c C 1.041 174.999 174.090 -0.221 0.000 1.266 1339 c CA -0.473 55.605 56.329 -0.419 0.000 1.709 1339 c CB -0.526 41.534 42.510 -0.750 0.000 1.975 1339 c HN 0.338 nan 8.230 nan 0.000 0.582 1340 M N 1.085 120.584 119.600 -0.169 0.000 2.239 1340 M HA 0.084 4.564 4.480 0.000 0.000 0.348 1340 M C 1.278 177.531 176.300 -0.079 0.000 1.239 1340 M CA 0.470 55.709 55.300 -0.102 0.000 1.114 1340 M CB 0.900 33.452 32.600 -0.080 0.000 1.641 1340 M HN 0.300 nan 8.290 nan 0.000 0.453 1341 T N 1.254 115.772 114.554 -0.059 0.000 3.309 1341 T HA 0.106 4.456 4.350 0.000 0.000 0.182 1341 T C 0.599 175.277 174.700 -0.037 0.000 0.697 1341 T CA 0.363 62.435 62.100 -0.046 0.000 2.501 1341 T CB 0.509 69.354 68.868 -0.038 0.000 2.296 1341 T HN 0.750 nan 8.240 nan 0.000 0.349 1342 T N 0.000 114.536 114.554 -0.030 0.000 3.816 1342 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1342 T CA 0.000 62.085 62.100 -0.025 0.000 1.349 1342 T CB 0.000 68.855 68.868 -0.021 0.000 0.612 1342 T HN 0.000 nan 8.240 nan 0.000 0.658