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 3bwe_1_F DATA FIRST_RESID 1003 DATA SEQUENCE SKRALVILAK GAEEXETVIP VDVXRRAGIK VTVAGLAGKD PVQCSRDVVI DATA SEQUENCE CPDASLEDAK KEGPYDVVVL PGGNLGAQNL SESAAVKEIL KEQENRKGLI DATA SEQUENCE AAICAGPTAL LAHEIGFGSK VTTHPLAKDK XXNGGHYTYS ENRVEKDGLI DATA SEQUENCE LTSRGPGTSF EFALAIVEAL NGKEVAAQVK APLVLK 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 1003 S HA 0.000 nan 4.470 nan 0.000 0.327 1003 S C 0.000 174.602 174.600 0.002 0.000 1.055 1003 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 1003 S CB 0.000 63.201 63.200 0.002 0.000 0.593 1004 K N 1.808 122.210 120.400 0.005 0.000 2.219 1004 K HA 0.473 4.793 4.320 -0.001 0.000 0.258 1004 K C -0.054 176.566 176.600 0.032 0.000 1.008 1004 K CA -0.219 56.075 56.287 0.012 0.000 0.928 1004 K CB 0.538 33.041 32.500 0.006 0.000 0.983 1004 K HN 0.528 nan 8.250 nan 0.000 0.484 1005 R N -0.081 120.458 120.500 0.065 0.000 2.686 1005 R HA 0.594 4.933 4.340 -0.001 0.000 0.286 1005 R C -0.972 175.454 176.300 0.211 0.000 0.969 1005 R CA -0.645 55.541 56.100 0.144 0.000 0.898 1005 R CB 2.116 32.518 30.300 0.172 0.000 1.183 1005 R HN 0.694 nan 8.270 nan 0.000 0.456 1006 A N 2.591 125.497 122.820 0.143 0.000 2.423 1006 A HA 0.681 5.000 4.320 -0.001 0.000 0.304 1006 A C -1.496 175.926 177.584 -0.269 0.000 1.104 1006 A CA -0.717 51.318 52.037 -0.003 0.000 0.757 1006 A CB 1.553 20.523 19.000 -0.049 0.000 1.313 1006 A HN 0.634 nan 8.150 nan 0.000 0.423 1007 L N 2.395 123.369 121.223 -0.416 0.000 2.345 1007 L HA 0.549 4.889 4.340 -0.001 0.000 0.274 1007 L C -1.464 175.245 176.870 -0.268 0.000 0.999 1007 L CA -0.678 53.810 54.840 -0.588 0.000 0.849 1007 L CB 1.377 42.892 42.059 -0.907 0.000 1.220 1007 L HN 0.489 nan 8.230 nan 0.000 0.422 1008 V N 6.148 125.946 119.914 -0.193 0.000 2.383 1008 V HA 0.361 4.480 4.120 -0.001 0.000 0.275 1008 V C 0.381 176.420 176.094 -0.092 0.000 1.036 1008 V CA -0.332 61.907 62.300 -0.102 0.000 0.889 1008 V CB 1.678 33.459 31.823 -0.069 0.000 0.985 1008 V HN 0.543 nan 8.190 nan 0.000 0.459 1009 I N 6.007 126.542 120.570 -0.059 0.000 2.304 1009 I HA 0.275 4.445 4.170 -0.001 0.000 0.291 1009 I C -0.502 175.601 176.117 -0.023 0.000 1.018 1009 I CA -0.472 60.802 61.300 -0.044 0.000 1.260 1009 I CB 1.355 39.337 38.000 -0.030 0.000 1.390 1009 I HN 0.386 nan 8.210 nan 0.000 0.475 1010 L N 7.800 129.008 121.223 -0.024 0.000 2.272 1010 L HA 0.622 4.961 4.340 -0.001 0.000 0.284 1010 L C 0.176 177.040 176.870 -0.010 0.000 1.045 1010 L CA 0.004 54.834 54.840 -0.016 0.000 0.842 1010 L CB 0.685 42.733 42.059 -0.018 0.000 1.224 1010 L HN 0.659 nan 8.230 nan 0.000 0.430 1011 A N 4.604 127.421 122.820 -0.005 0.000 2.281 1011 A HA 0.503 4.823 4.320 -0.001 0.000 0.329 1011 A C -0.323 177.259 177.584 -0.003 0.000 1.122 1011 A CA -0.784 51.252 52.037 -0.001 0.000 0.850 1011 A CB 0.589 19.592 19.000 0.005 0.000 1.207 1011 A HN 0.637 nan 8.150 nan 0.000 0.495 1012 K N -0.062 120.337 120.400 -0.002 0.000 2.412 1012 K HA 0.353 4.673 4.320 -0.001 0.000 0.281 1012 K C 0.968 177.565 176.600 -0.005 0.000 1.027 1012 K CA 1.161 57.446 56.287 -0.004 0.000 0.989 1012 K CB -0.047 32.452 32.500 -0.002 0.000 0.935 1012 K HN 1.690 nan 8.250 nan 0.000 0.475 1013 G N 1.901 110.696 108.800 -0.008 0.000 2.175 1013 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.244 1013 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.244 1013 G C 0.142 175.032 174.900 -0.017 0.000 0.982 1013 G CA 0.040 45.133 45.100 -0.012 0.000 0.641 1013 G HN 0.930 nan 8.290 nan 0.000 0.527 1014 A N -0.068 122.743 122.820 -0.015 0.000 2.406 1014 A HA 0.547 4.867 4.320 -0.001 0.000 0.243 1014 A C 0.666 178.236 177.584 -0.023 0.000 1.082 1014 A CA 0.147 52.173 52.037 -0.018 0.000 0.786 1014 A CB 0.345 19.337 19.000 -0.013 0.000 1.029 1014 A HN 0.277 nan 8.150 nan 0.000 0.495 1015 E N 1.238 121.419 120.200 -0.030 0.000 2.166 1015 E HA 0.158 4.508 4.350 -0.001 0.000 0.279 1015 E C 0.243 176.832 176.600 -0.019 0.000 1.095 1015 E CA 0.009 56.391 56.400 -0.032 0.000 0.888 1015 E CB 0.134 29.805 29.700 -0.048 0.000 1.041 1015 E HN 0.616 nan 8.360 nan 0.000 0.414 1019 T N -1.664 112.895 114.554 0.008 0.000 3.045 1019 T HA 0.089 4.438 4.350 -0.001 0.000 0.239 1019 T C 1.987 176.678 174.700 -0.016 0.000 1.008 1019 T CA 0.842 62.946 62.100 0.007 0.000 1.143 1019 T CB -0.213 68.653 68.868 -0.004 0.000 0.894 1019 T HN -0.046 nan 8.240 nan 0.000 0.451 1020 V N 1.857 121.756 119.914 -0.024 0.000 2.332 1020 V HA -0.066 4.054 4.120 -0.001 0.000 0.248 1020 V C 2.711 178.754 176.094 -0.085 0.000 1.055 1020 V CA 1.796 64.072 62.300 -0.041 0.000 1.038 1020 V CB -0.712 31.097 31.823 -0.023 0.000 0.651 1020 V HN 0.498 nan 8.190 nan 0.000 0.450 1021 I N -0.153 120.345 120.570 -0.120 0.000 2.142 1021 I HA -0.158 4.011 4.170 -0.001 0.000 0.240 1021 I C -0.090 175.872 176.117 -0.258 0.000 1.078 1021 I CA 1.769 62.896 61.300 -0.288 0.000 1.343 1021 I CB -1.458 36.312 38.000 -0.383 0.000 1.046 1021 I HN 0.353 nan 8.210 nan 0.000 0.405 1022 P HA -0.117 nan 4.420 nan 0.000 0.217 1022 P C 1.961 179.187 177.300 -0.123 0.000 1.150 1022 P CA 1.139 64.164 63.100 -0.126 0.000 0.832 1022 P CB 0.042 31.717 31.700 -0.042 0.000 0.787 1023 V N 0.519 120.378 119.914 -0.091 0.000 2.255 1023 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 1023 V C 2.281 178.327 176.094 -0.079 0.000 1.051 1023 V CA 2.296 64.550 62.300 -0.076 0.000 1.018 1023 V CB -1.175 30.615 31.823 -0.056 0.000 0.641 1023 V HN 0.201 nan 8.190 nan 0.000 0.445 1024 D N 0.083 120.427 120.400 -0.094 0.000 2.087 1024 D HA -0.106 4.533 4.640 -0.001 0.000 0.192 1024 D C 1.202 177.453 176.300 -0.081 0.000 0.993 1024 D CA 1.226 55.178 54.000 -0.080 0.000 0.828 1024 D CB -0.193 40.553 40.800 -0.090 0.000 0.968 1024 D HN 0.251 nan 8.370 nan 0.000 0.448 1028 R N 0.913 121.401 120.500 -0.020 0.000 2.237 1028 R HA 0.100 4.440 4.340 -0.001 0.000 0.219 1028 R C 1.504 177.800 176.300 -0.007 0.000 1.080 1028 R CA 1.284 57.380 56.100 -0.008 0.000 0.995 1028 R CB 0.059 30.358 30.300 -0.001 0.000 0.875 1028 R HN 0.103 nan 8.270 nan 0.000 0.462 1029 A N 0.155 122.966 122.820 -0.016 0.000 2.307 1029 A HA 0.282 4.601 4.320 -0.001 0.000 0.218 1029 A C 1.397 178.974 177.584 -0.012 0.000 1.228 1029 A CA 0.586 52.615 52.037 -0.014 0.000 0.857 1029 A CB 0.044 19.029 19.000 -0.024 0.000 0.897 1029 A HN 0.402 nan 8.150 nan 0.000 0.495 1030 G N -0.609 108.185 108.800 -0.010 0.000 2.179 1030 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.260 1030 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.260 1030 G C 0.167 175.064 174.900 -0.006 0.000 0.977 1030 G CA 0.272 45.368 45.100 -0.007 0.000 0.641 1030 G HN 0.499 nan 8.290 nan 0.000 0.533 1031 I N 1.766 122.329 120.570 -0.012 0.000 2.533 1031 I HA 0.181 4.350 4.170 -0.001 0.000 0.284 1031 I C 0.425 176.541 176.117 -0.001 0.000 1.109 1031 I CA -0.379 60.916 61.300 -0.008 0.000 1.412 1031 I CB 0.717 38.705 38.000 -0.020 0.000 1.396 1031 I HN -0.124 nan 8.210 nan 0.000 0.543 1032 K N 6.768 127.176 120.400 0.015 0.000 2.338 1032 K HA 0.296 4.615 4.320 -0.001 0.000 0.290 1032 K C -0.530 176.091 176.600 0.034 0.000 1.069 1032 K CA -0.209 56.093 56.287 0.025 0.000 0.941 1032 K CB 0.580 33.101 32.500 0.036 0.000 1.023 1032 K HN 0.283 nan 8.250 nan 0.000 0.477 1033 V N 2.687 122.606 119.914 0.009 0.000 2.547 1033 V HA 0.324 4.443 4.120 -0.001 0.000 0.299 1033 V C 0.247 176.331 176.094 -0.018 0.000 1.040 1033 V CA -0.662 61.629 62.300 -0.015 0.000 0.913 1033 V CB 1.954 33.753 31.823 -0.040 0.000 0.992 1033 V HN 0.658 nan 8.190 nan 0.000 0.449 1034 T N 3.509 118.027 114.554 -0.060 0.000 2.809 1034 T HA 0.436 4.786 4.350 -0.001 0.000 0.284 1034 T C -0.451 174.185 174.700 -0.108 0.000 0.992 1034 T CA -0.297 61.765 62.100 -0.063 0.000 0.957 1034 T CB 1.480 70.321 68.868 -0.046 0.000 0.942 1034 T HN 0.336 nan 8.240 nan 0.000 0.439 1035 V N 3.545 123.420 119.914 -0.066 0.000 2.320 1035 V HA 0.596 4.715 4.120 -0.001 0.000 0.265 1035 V C 0.376 176.438 176.094 -0.054 0.000 1.048 1035 V CA -0.720 61.542 62.300 -0.063 0.000 0.865 1035 V CB 0.507 32.305 31.823 -0.041 0.000 1.043 1035 V HN 1.034 nan 8.190 nan 0.000 0.474 1036 A N 4.203 126.981 122.820 -0.070 0.000 2.249 1036 A HA 0.721 5.040 4.320 -0.001 0.000 0.314 1036 A C 0.673 178.236 177.584 -0.035 0.000 1.290 1036 A CA -0.186 51.821 52.037 -0.050 0.000 0.893 1036 A CB 0.758 19.720 19.000 -0.064 0.000 1.165 1036 A HN 0.901 nan 8.150 nan 0.000 0.530 1037 G N 1.603 110.390 108.800 -0.021 0.000 2.356 1037 G HA2 0.373 4.333 3.960 -0.001 0.000 0.273 1037 G HA3 0.373 4.333 3.960 -0.001 0.000 0.273 1037 G C 0.759 175.652 174.900 -0.011 0.000 1.213 1037 G CA -0.238 44.853 45.100 -0.015 0.000 0.955 1037 G HN 0.969 nan 8.290 nan 0.000 0.454 1038 L N 3.363 124.580 121.223 -0.010 0.000 2.043 1038 L HA -0.103 4.236 4.340 -0.001 0.000 0.212 1038 L C 2.543 179.413 176.870 -0.001 0.000 1.075 1038 L CA 2.774 57.611 54.840 -0.005 0.000 0.752 1038 L CB -0.084 41.975 42.059 0.000 0.000 0.891 1038 L HN 0.521 nan 8.230 nan 0.000 0.432 1039 A N -1.628 121.191 122.820 -0.001 0.000 2.307 1039 A HA 0.595 4.914 4.320 -0.001 0.000 0.218 1039 A C 0.992 178.576 177.584 0.000 0.000 1.228 1039 A CA 0.491 52.528 52.037 0.001 0.000 0.857 1039 A CB -0.722 18.279 19.000 0.001 0.000 0.897 1039 A HN 0.715 nan 8.150 nan 0.000 0.495 1040 G N -2.440 106.359 108.800 -0.001 0.000 2.302 1040 G HA2 0.415 4.374 3.960 -0.001 0.000 0.276 1040 G HA3 0.415 4.374 3.960 -0.001 0.000 0.276 1040 G C 0.387 175.286 174.900 -0.002 0.000 1.316 1040 G CA 0.243 45.343 45.100 -0.001 0.000 0.988 1040 G HN 0.765 nan 8.290 nan 0.000 0.479 1041 K N -0.532 119.868 120.400 -0.001 0.000 2.393 1041 K HA 0.391 4.711 4.320 -0.001 0.000 0.193 1041 K C 0.728 177.327 176.600 -0.002 0.000 1.026 1041 K CA 1.390 57.677 56.287 -0.001 0.000 1.064 1041 K CB -0.203 32.298 32.500 0.001 0.000 0.833 1041 K HN 0.593 nan 8.250 nan 0.000 0.521 1042 D N 1.225 121.625 120.400 -0.002 0.000 2.382 1042 D HA 0.193 4.833 4.640 -0.001 0.000 0.240 1042 D C -2.358 173.940 176.300 -0.003 0.000 1.146 1042 D CA -1.885 52.114 54.000 -0.002 0.000 0.897 1042 D CB 0.948 41.747 40.800 -0.001 0.000 1.197 1042 D HN 0.073 nan 8.370 nan 0.000 0.432 1043 P HA -0.018 nan 4.420 nan 0.000 0.265 1043 P C -0.702 176.596 177.300 -0.004 0.000 1.187 1043 P CA 0.074 63.172 63.100 -0.003 0.000 0.766 1043 P CB 0.551 32.250 31.700 -0.002 0.000 0.820 1044 V N 3.942 123.853 119.914 -0.005 0.000 2.378 1044 V HA 0.207 4.326 4.120 -0.001 0.000 0.288 1044 V C 0.259 176.350 176.094 -0.005 0.000 1.016 1044 V CA -0.440 61.857 62.300 -0.005 0.000 0.840 1044 V CB 1.184 33.003 31.823 -0.007 0.000 0.994 1044 V HN 0.485 nan 8.190 nan 0.000 0.431 1045 Q N 3.994 123.791 119.800 -0.005 0.000 2.307 1045 Q HA 0.223 4.563 4.340 -0.001 0.000 0.261 1045 Q C -0.231 175.765 176.000 -0.006 0.000 1.051 1045 Q CA -0.391 55.409 55.803 -0.005 0.000 0.911 1045 Q CB 0.618 29.353 28.738 -0.004 0.000 1.227 1045 Q HN 0.863 nan 8.270 nan 0.000 0.418 1046 C N 1.910 121.206 119.300 -0.007 0.000 2.641 1046 C HA 0.082 4.541 4.460 -0.001 0.000 0.318 1046 C C 2.345 177.329 174.990 -0.011 0.000 1.490 1046 C CA 0.086 59.098 59.018 -0.009 0.000 2.260 1046 C CB 0.636 28.370 27.740 -0.009 0.000 2.103 1046 C HN 1.109 nan 8.230 nan 0.000 0.641 1047 S N 0.950 116.641 115.700 -0.015 0.000 2.372 1047 S HA -0.216 4.254 4.470 -0.001 0.000 0.227 1047 S C 1.250 175.841 174.600 -0.016 0.000 1.044 1047 S CA 1.619 59.807 58.200 -0.019 0.000 1.050 1047 S CB -0.334 62.849 63.200 -0.028 0.000 0.901 1047 S HN 0.722 nan 8.310 nan 0.000 0.447 1048 R N 1.336 121.828 120.500 -0.013 0.000 2.702 1048 R HA 0.312 4.652 4.340 -0.001 0.000 0.314 1048 R C -0.337 175.960 176.300 -0.006 0.000 1.152 1048 R CA 0.267 56.362 56.100 -0.009 0.000 1.097 1048 R CB -0.652 29.644 30.300 -0.007 0.000 1.343 1048 R HN 0.358 nan 8.270 nan 0.000 0.575 1049 D N -1.299 119.098 120.400 -0.006 0.000 3.059 1049 D HA -0.166 4.474 4.640 -0.001 0.000 0.220 1049 D C 0.046 176.344 176.300 -0.003 0.000 1.169 1049 D CA 1.339 55.336 54.000 -0.004 0.000 0.902 1049 D CB -1.509 39.289 40.800 -0.003 0.000 1.116 1049 D HN 0.294 nan 8.370 nan 0.000 0.417 1050 V N -1.761 118.151 119.914 -0.003 0.000 2.732 1050 V HA 0.484 4.604 4.120 -0.001 0.000 0.297 1050 V C 0.539 176.632 176.094 -0.003 0.000 1.060 1050 V CA -0.557 61.743 62.300 -0.001 0.000 1.038 1050 V CB 2.094 33.918 31.823 0.000 0.000 1.003 1050 V HN -0.089 nan 8.190 nan 0.000 0.481 1051 V N 6.869 126.782 119.914 -0.002 0.000 2.350 1051 V HA 0.460 4.580 4.120 -0.001 0.000 0.276 1051 V C 0.230 176.322 176.094 -0.003 0.000 1.028 1051 V CA -0.209 62.089 62.300 -0.003 0.000 0.860 1051 V CB 0.816 32.638 31.823 -0.002 0.000 0.990 1051 V HN 0.799 nan 8.190 nan 0.000 0.453 1052 I N 3.921 124.488 120.570 -0.005 0.000 2.437 1052 I HA 0.416 4.585 4.170 -0.001 0.000 0.298 1052 I C -0.189 175.924 176.117 -0.007 0.000 0.984 1052 I CA -0.314 60.982 61.300 -0.006 0.000 1.214 1052 I CB 1.702 39.697 38.000 -0.009 0.000 1.365 1052 I HN 0.498 nan 8.210 nan 0.000 0.469 1053 C N 6.392 125.688 119.300 -0.007 0.000 2.307 1053 C HA 0.427 4.886 4.460 -0.001 0.000 0.340 1053 C C -2.006 172.979 174.990 -0.009 0.000 1.275 1053 C CA -1.227 57.788 59.018 -0.006 0.000 1.811 1053 C CB 0.182 27.919 27.740 -0.004 0.000 2.372 1053 C HN 0.474 nan 8.230 nan 0.000 0.531 1054 P HA 0.150 nan 4.420 nan 0.000 0.272 1054 P C 0.445 177.740 177.300 -0.010 0.000 1.223 1054 P CA 0.022 63.114 63.100 -0.013 0.000 0.784 1054 P CB 0.663 32.355 31.700 -0.012 0.000 0.923 1055 D N 0.008 120.401 120.400 -0.012 0.000 2.317 1055 D HA 0.142 4.781 4.640 -0.001 0.000 0.211 1055 D C 0.574 176.874 176.300 0.000 0.000 0.966 1055 D CA 0.990 54.986 54.000 -0.005 0.000 0.876 1055 D CB 0.454 41.251 40.800 -0.006 0.000 0.927 1055 D HN 0.425 nan 8.370 nan 0.000 0.519 1056 A N 0.030 122.849 122.820 -0.003 0.000 2.515 1056 A HA 0.413 4.732 4.320 -0.001 0.000 0.292 1056 A C -0.795 176.788 177.584 -0.001 0.000 1.065 1056 A CA -0.610 51.429 52.037 0.003 0.000 0.641 1056 A CB 0.701 19.710 19.000 0.014 0.000 1.306 1056 A HN 0.015 nan 8.150 nan 0.000 0.441 1057 S N 0.395 116.097 115.700 0.004 0.000 2.601 1057 S HA 0.455 4.924 4.470 -0.001 0.000 0.271 1057 S C 1.168 175.770 174.600 0.003 0.000 1.305 1057 S CA -0.285 57.916 58.200 0.001 0.000 1.022 1057 S CB 1.005 64.207 63.200 0.004 0.000 0.940 1057 S HN 1.487 nan 8.310 nan 0.000 0.525 1058 L N 1.457 122.678 121.223 -0.003 0.000 2.042 1058 L HA -0.131 4.209 4.340 -0.001 0.000 0.210 1058 L C 2.824 179.702 176.870 0.013 0.000 1.076 1058 L CA 2.943 57.782 54.840 -0.003 0.000 0.749 1058 L CB -2.015 40.038 42.059 -0.009 0.000 0.893 1058 L HN 1.064 nan 8.230 nan 0.000 0.432 1059 E N 0.012 120.218 120.200 0.011 0.000 2.118 1059 E HA -0.296 4.054 4.350 -0.001 0.000 0.195 1059 E C 1.706 178.320 176.600 0.023 0.000 0.992 1059 E CA 1.926 58.334 56.400 0.014 0.000 0.804 1059 E CB -0.864 28.841 29.700 0.008 0.000 0.741 1059 E HN 0.696 nan 8.360 nan 0.000 0.458 1060 D N -0.466 119.949 120.400 0.025 0.000 2.106 1060 D HA 0.212 4.852 4.640 -0.001 0.000 0.203 1060 D C 2.286 178.620 176.300 0.057 0.000 0.977 1060 D CA 1.579 55.598 54.000 0.032 0.000 0.844 1060 D CB -0.324 40.490 40.800 0.024 0.000 1.002 1060 D HN 0.443 nan 8.370 nan 0.000 0.461 1061 A N 0.937 123.801 122.820 0.073 0.000 2.032 1061 A HA -0.279 4.041 4.320 -0.001 0.000 0.221 1061 A C 1.957 179.680 177.584 0.233 0.000 1.165 1061 A CA 1.688 53.816 52.037 0.150 0.000 0.645 1061 A CB -0.650 18.407 19.000 0.096 0.000 0.807 1061 A HN 0.147 nan 8.150 nan 0.000 0.453 1062 K N -0.188 120.298 120.400 0.143 0.000 2.032 1062 K HA -0.216 4.103 4.320 -0.001 0.000 0.209 1062 K C 2.183 178.836 176.600 0.089 0.000 1.048 1062 K CA 2.040 58.409 56.287 0.137 0.000 0.927 1062 K CB -0.352 32.187 32.500 0.065 0.000 0.712 1062 K HN 0.385 nan 8.250 nan 0.000 0.441 1063 K N 1.212 121.644 120.400 0.052 0.000 2.439 1063 K HA -0.064 4.255 4.320 -0.001 0.000 0.197 1063 K C 0.751 177.346 176.600 -0.008 0.000 1.041 1063 K CA 1.365 57.661 56.287 0.015 0.000 0.970 1063 K CB -0.346 32.161 32.500 0.011 0.000 0.773 1063 K HN 0.249 nan 8.250 nan 0.000 0.479 1064 E N 0.782 120.987 120.200 0.008 0.000 1.852 1064 E HA 0.392 4.741 4.350 -0.001 0.000 0.276 1064 E C 0.762 177.232 176.600 -0.217 0.000 1.163 1064 E CA 0.601 56.973 56.400 -0.047 0.000 1.117 1064 E CB -1.069 28.656 29.700 0.042 0.000 1.124 1064 E HN 0.621 nan 8.360 nan 0.000 0.458 1065 G N 4.009 112.699 108.800 -0.184 0.000 2.791 1065 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.256 1065 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.256 1065 G C -2.227 172.437 174.900 -0.393 0.000 1.380 1065 G CA -0.362 44.593 45.100 -0.241 0.000 0.904 1065 G HN 0.492 nan 8.290 nan 0.000 0.563 1066 P HA 0.557 nan 4.420 nan 0.000 0.281 1066 P C -1.195 175.821 177.300 -0.473 0.000 1.264 1066 P CA -0.407 62.513 63.100 -0.299 0.000 0.824 1066 P CB 0.818 32.440 31.700 -0.131 0.000 1.092 1067 Y N -0.503 119.789 120.300 -0.013 0.000 2.446 1067 Y HA 0.197 4.746 4.550 -0.001 0.000 0.338 1067 Y C 1.280 177.171 175.900 -0.015 0.000 1.055 1067 Y CA -0.031 58.061 58.100 -0.014 0.000 1.101 1067 Y CB 1.048 39.499 38.460 -0.014 0.000 1.221 1067 Y HN 0.290 nan 8.280 nan 0.000 0.460 1068 D N 0.548 121.028 120.400 0.133 0.000 2.317 1068 D HA 0.065 4.704 4.640 -0.001 0.000 0.211 1068 D C -0.625 175.711 176.300 0.059 0.000 0.966 1068 D CA 0.945 54.984 54.000 0.065 0.000 0.876 1068 D CB 0.586 41.409 40.800 0.037 0.000 0.927 1068 D HN 0.133 nan 8.370 nan 0.000 0.519 1069 V N 0.090 120.054 119.914 0.083 0.000 2.882 1069 V HA 0.315 4.435 4.120 -0.001 0.000 0.295 1069 V C -1.855 174.249 176.094 0.016 0.000 1.273 1069 V CA -1.037 61.283 62.300 0.033 0.000 0.949 1069 V CB 2.109 33.922 31.823 -0.017 0.000 1.071 1069 V HN -0.191 nan 8.190 nan 0.000 0.432 1070 V N 7.794 127.713 119.914 0.008 0.000 2.495 1070 V HA 0.892 5.012 4.120 -0.001 0.000 0.298 1070 V C -0.709 175.382 176.094 -0.007 0.000 1.031 1070 V CA 0.184 62.466 62.300 -0.029 0.000 0.871 1070 V CB 1.875 33.693 31.823 -0.007 0.000 0.988 1070 V HN 1.672 nan 8.190 nan 0.000 0.432 1071 V N 6.363 126.267 119.914 -0.017 0.000 2.513 1071 V HA 0.710 4.830 4.120 -0.001 0.000 0.299 1071 V C -1.019 175.118 176.094 0.072 0.000 1.035 1071 V CA -0.703 61.629 62.300 0.054 0.000 0.889 1071 V CB 1.600 33.446 31.823 0.038 0.000 0.988 1071 V HN 0.768 nan 8.190 nan 0.000 0.440 1072 L N 7.855 129.149 121.223 0.119 0.000 2.283 1072 L HA 0.638 4.978 4.340 -0.001 0.000 0.281 1072 L C -2.206 174.700 176.870 0.060 0.000 1.033 1072 L CA -1.661 53.223 54.840 0.074 0.000 0.848 1072 L CB 0.853 42.951 42.059 0.066 0.000 1.226 1072 L HN 0.574 nan 8.230 nan 0.000 0.429 1073 P HA 0.278 nan 4.420 nan 0.000 0.273 1073 P C 0.181 177.463 177.300 -0.030 0.000 1.250 1073 P CA -0.277 62.828 63.100 0.008 0.000 0.793 1073 P CB 0.810 32.516 31.700 0.010 0.000 1.011 1074 G N -1.042 107.722 108.800 -0.060 0.000 2.695 1074 G HA2 0.609 4.569 3.960 -0.001 0.000 0.213 1074 G HA3 0.609 4.569 3.960 -0.001 0.000 0.213 1074 G C -0.232 174.634 174.900 -0.056 0.000 1.406 1074 G CA -0.572 44.486 45.100 -0.069 0.000 1.049 1074 G HN 0.820 nan 8.290 nan 0.000 0.573 1075 G N -1.451 107.306 108.800 -0.072 0.000 3.069 1075 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.686 1075 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.686 1075 G C 0.260 175.128 174.900 -0.053 0.000 1.161 1075 G CA 0.484 45.547 45.100 -0.062 0.000 0.804 1075 G HN 0.837 nan 8.290 nan 0.000 0.608 1076 N N 0.599 119.266 118.700 -0.055 0.000 2.025 1076 N HA -0.086 4.654 4.740 -0.001 0.000 0.194 1076 N C 2.469 177.964 175.510 -0.025 0.000 1.044 1076 N CA 1.804 54.830 53.050 -0.040 0.000 0.851 1076 N CB -0.087 38.377 38.487 -0.038 0.000 1.036 1076 N HN 0.563 nan 8.380 nan 0.000 0.422 1077 L N -0.114 121.095 121.223 -0.022 0.000 2.017 1077 L HA -0.062 4.277 4.340 -0.001 0.000 0.208 1077 L C 2.283 179.147 176.870 -0.010 0.000 1.073 1077 L CA 1.607 56.439 54.840 -0.013 0.000 0.745 1077 L CB -1.017 41.035 42.059 -0.012 0.000 0.894 1077 L HN 0.414 nan 8.230 nan 0.000 0.432 1078 G N -0.581 108.210 108.800 -0.014 0.000 2.514 1078 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.217 1078 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.217 1078 G C 1.634 176.532 174.900 -0.004 0.000 1.198 1078 G CA 0.956 46.050 45.100 -0.010 0.000 0.780 1078 G HN 0.555 nan 8.290 nan 0.000 0.565 1079 A N 0.066 122.879 122.820 -0.012 0.000 1.978 1079 A HA -0.129 4.191 4.320 -0.001 0.000 0.220 1079 A C 2.303 179.887 177.584 -0.001 0.000 1.170 1079 A CA 2.180 54.213 52.037 -0.007 0.000 0.636 1079 A CB -0.503 18.486 19.000 -0.018 0.000 0.810 1079 A HN 0.532 nan 8.150 nan 0.000 0.448 1080 Q N -0.216 119.582 119.800 -0.004 0.000 2.050 1080 Q HA -0.206 4.133 4.340 -0.001 0.000 0.202 1080 Q C 1.755 177.761 176.000 0.011 0.000 0.980 1080 Q CA 1.770 57.573 55.803 -0.001 0.000 0.840 1080 Q CB -0.162 28.575 28.738 -0.002 0.000 0.898 1080 Q HN 0.675 nan 8.270 nan 0.000 0.424 1081 N N 0.354 119.063 118.700 0.015 0.000 2.142 1081 N HA -0.126 4.613 4.740 -0.001 0.000 0.186 1081 N C 1.873 177.413 175.510 0.050 0.000 1.023 1081 N CA 1.029 54.095 53.050 0.026 0.000 0.852 1081 N CB -0.222 38.276 38.487 0.018 0.000 0.998 1081 N HN 0.301 nan 8.380 nan 0.000 0.424 1082 L N 0.575 121.830 121.223 0.054 0.000 2.083 1082 L HA -0.092 4.247 4.340 -0.001 0.000 0.209 1082 L C 2.016 179.002 176.870 0.193 0.000 1.083 1082 L CA 0.854 55.754 54.840 0.100 0.000 0.752 1082 L CB -0.300 41.806 42.059 0.077 0.000 0.899 1082 L HN 0.063 nan 8.230 nan 0.000 0.433 1083 S N -0.684 115.059 115.700 0.072 0.000 2.489 1083 S HA -0.080 4.389 4.470 -0.001 0.000 0.228 1083 S C 1.386 175.985 174.600 -0.001 0.000 0.995 1083 S CA 0.776 58.933 58.200 -0.072 0.000 0.934 1083 S CB -0.064 63.073 63.200 -0.105 0.000 0.771 1083 S HN 0.504 nan 8.310 nan 0.000 0.522 1084 E N 0.591 120.843 120.200 0.087 0.000 2.498 1084 E HA 0.158 4.508 4.350 -0.001 0.000 0.203 1084 E C 0.095 176.767 176.600 0.120 0.000 1.013 1084 E CA -0.147 56.308 56.400 0.092 0.000 0.927 1084 E CB 0.546 30.274 29.700 0.046 0.000 1.012 1084 E HN 0.136 nan 8.360 nan 0.000 0.482 1085 S N 0.825 116.616 115.700 0.151 0.000 2.400 1085 S HA 0.352 4.821 4.470 -0.001 0.000 0.295 1085 S C 1.110 175.725 174.600 0.025 0.000 1.113 1085 S CA -0.116 58.130 58.200 0.076 0.000 1.064 1085 S CB 0.937 64.166 63.200 0.049 0.000 0.990 1085 S HN 0.287 nan 8.310 nan 0.000 0.502 1086 A N 5.512 128.339 122.820 0.013 0.000 1.978 1086 A HA 0.067 4.386 4.320 -0.001 0.000 0.220 1086 A C 2.370 179.908 177.584 -0.076 0.000 1.170 1086 A CA 1.768 53.788 52.037 -0.028 0.000 0.636 1086 A CB -1.182 17.815 19.000 -0.006 0.000 0.810 1086 A HN 1.180 nan 8.150 nan 0.000 0.448 1087 A N -0.588 122.202 122.820 -0.050 0.000 1.908 1087 A HA -0.027 4.292 4.320 -0.001 0.000 0.218 1087 A C 2.230 179.761 177.584 -0.088 0.000 1.181 1087 A CA 1.867 53.873 52.037 -0.051 0.000 0.627 1087 A CB -0.861 18.123 19.000 -0.025 0.000 0.818 1087 A HN 0.392 nan 8.150 nan 0.000 0.445 1088 V N 0.273 120.117 119.914 -0.118 0.000 2.358 1088 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 1088 V C 2.535 178.410 176.094 -0.366 0.000 1.047 1088 V CA 2.259 64.460 62.300 -0.165 0.000 1.035 1088 V CB -0.621 31.156 31.823 -0.077 0.000 0.658 1088 V HN 0.705 nan 8.190 nan 0.000 0.452 1089 K N 0.424 120.423 120.400 -0.669 0.000 2.063 1089 K HA -0.257 4.063 4.320 -0.001 0.000 0.208 1089 K C 2.244 178.671 176.600 -0.288 0.000 1.048 1089 K CA 2.180 58.003 56.287 -0.772 0.000 0.928 1089 K CB -0.222 31.960 32.500 -0.530 0.000 0.713 1089 K HN 0.577 nan 8.250 nan 0.000 0.442 1090 E N 1.599 121.687 120.200 -0.187 0.000 2.012 1090 E HA -0.204 4.145 4.350 -0.001 0.000 0.197 1090 E C 1.939 178.495 176.600 -0.073 0.000 1.007 1090 E CA 1.778 58.119 56.400 -0.098 0.000 0.816 1090 E CB -0.962 28.698 29.700 -0.067 0.000 0.762 1090 E HN 0.467 nan 8.360 nan 0.000 0.451 1091 I N 0.341 120.872 120.570 -0.064 0.000 2.145 1091 I HA -0.310 3.860 4.170 -0.001 0.000 0.244 1091 I C 2.882 178.987 176.117 -0.019 0.000 1.075 1091 I CA 1.704 62.990 61.300 -0.023 0.000 1.332 1091 I CB -0.309 37.684 38.000 -0.013 0.000 1.033 1091 I HN 0.256 nan 8.210 nan 0.000 0.410 1092 L N 0.020 121.216 121.223 -0.046 0.000 2.083 1092 L HA -0.195 4.144 4.340 -0.001 0.000 0.209 1092 L C 2.663 179.524 176.870 -0.015 0.000 1.083 1092 L CA 1.051 55.881 54.840 -0.017 0.000 0.752 1092 L CB -0.627 41.425 42.059 -0.012 0.000 0.899 1092 L HN 0.195 nan 8.230 nan 0.000 0.433 1093 K N 0.510 120.885 120.400 -0.042 0.000 2.002 1093 K HA -0.169 4.151 4.320 -0.001 0.000 0.209 1093 K C 1.942 178.530 176.600 -0.020 0.000 1.048 1093 K CA 1.482 57.748 56.287 -0.035 0.000 0.930 1093 K CB -0.304 32.166 32.500 -0.050 0.000 0.714 1093 K HN 0.436 nan 8.250 nan 0.000 0.438 1094 E N 0.658 120.848 120.200 -0.016 0.000 2.077 1094 E HA -0.238 4.111 4.350 -0.001 0.000 0.193 1094 E C 2.193 178.796 176.600 0.004 0.000 0.989 1094 E CA 1.039 57.435 56.400 -0.007 0.000 0.800 1094 E CB -0.050 29.647 29.700 -0.004 0.000 0.746 1094 E HN 0.204 nan 8.360 nan 0.000 0.452 1095 Q N 1.297 121.105 119.800 0.014 0.000 2.084 1095 Q HA -0.221 4.119 4.340 -0.001 0.000 0.202 1095 Q C 1.895 177.909 176.000 0.022 0.000 0.978 1095 Q CA 1.878 57.697 55.803 0.026 0.000 0.844 1095 Q CB -0.038 28.724 28.738 0.039 0.000 0.898 1095 Q HN 0.316 nan 8.270 nan 0.000 0.426 1096 E N -0.618 119.593 120.200 0.018 0.000 2.072 1096 E HA -0.161 4.188 4.350 -0.001 0.000 0.190 1096 E C 1.420 178.027 176.600 0.011 0.000 0.982 1096 E CA 1.200 57.611 56.400 0.019 0.000 0.803 1096 E CB -0.146 29.564 29.700 0.017 0.000 0.755 1096 E HN 0.563 nan 8.360 nan 0.000 0.453 1097 N N -0.029 118.672 118.700 0.002 0.000 2.396 1097 N HA -0.089 4.650 4.740 -0.001 0.000 0.180 1097 N C 1.809 177.319 175.510 0.001 0.000 1.028 1097 N CA 0.209 53.258 53.050 -0.002 0.000 0.893 1097 N CB 0.003 38.484 38.487 -0.009 0.000 0.967 1097 N HN 0.029 nan 8.380 nan 0.000 0.440 1098 R N 1.559 122.061 120.500 0.003 0.000 2.310 1098 R HA 0.078 4.417 4.340 -0.001 0.000 0.202 1098 R C -0.228 176.076 176.300 0.007 0.000 0.933 1098 R CA 0.247 56.349 56.100 0.003 0.000 1.054 1098 R CB 0.193 30.494 30.300 0.002 0.000 0.985 1098 R HN -0.032 nan 8.270 nan 0.000 0.489 1099 K N -0.513 119.894 120.400 0.011 0.000 3.162 1099 K HA -0.144 4.176 4.320 -0.001 0.000 0.268 1099 K C -0.484 176.127 176.600 0.017 0.000 1.062 1099 K CA 0.453 56.749 56.287 0.015 0.000 0.769 1099 K CB -1.315 31.192 32.500 0.011 0.000 1.274 1099 K HN 0.473 nan 8.250 nan 0.000 0.478 1100 G N 0.327 109.140 108.800 0.022 0.000 2.441 1100 G HA2 0.580 4.539 3.960 -0.001 0.000 0.334 1100 G HA3 0.580 4.539 3.960 -0.001 0.000 0.334 1100 G C -0.827 174.091 174.900 0.031 0.000 1.161 1100 G CA -0.943 44.172 45.100 0.026 0.000 0.935 1100 G HN 0.143 nan 8.290 nan 0.000 0.488 1101 L N 0.910 122.149 121.223 0.027 0.000 2.462 1101 L HA 0.411 4.750 4.340 -0.001 0.000 0.272 1101 L C -0.159 176.731 176.870 0.033 0.000 1.166 1101 L CA 0.195 55.050 54.840 0.025 0.000 0.880 1101 L CB 0.129 42.192 42.059 0.007 0.000 1.142 1101 L HN 0.296 nan 8.230 nan 0.000 0.473 1102 I N 5.529 126.127 120.570 0.046 0.000 2.389 1102 I HA 0.548 4.717 4.170 -0.001 0.000 0.288 1102 I C -0.259 175.907 176.117 0.081 0.000 0.999 1102 I CA -0.598 60.738 61.300 0.060 0.000 1.129 1102 I CB 1.633 39.675 38.000 0.071 0.000 1.288 1102 I HN 0.755 nan 8.210 nan 0.000 0.444 1103 A N 5.457 128.337 122.820 0.101 0.000 2.318 1103 A HA 0.917 5.236 4.320 -0.001 0.000 0.317 1103 A C -0.663 177.116 177.584 0.326 0.000 1.159 1103 A CA -0.445 51.718 52.037 0.210 0.000 0.799 1103 A CB 1.358 20.393 19.000 0.059 0.000 1.194 1103 A HN 0.781 nan 8.150 nan 0.000 0.479 1104 A N 2.317 125.311 122.820 0.290 0.000 2.414 1104 A HA 0.828 5.147 4.320 -0.001 0.000 0.306 1104 A C -0.874 176.592 177.584 -0.197 0.000 1.054 1104 A CA -0.440 51.651 52.037 0.090 0.000 0.724 1104 A CB 1.031 20.050 19.000 0.030 0.000 1.267 1104 A HN 1.302 nan 8.150 nan 0.000 0.418 1105 I N 1.552 121.895 120.570 -0.378 0.000 2.730 1105 I HA 0.489 4.658 4.170 -0.001 0.000 0.298 1105 I C 0.796 176.745 176.117 -0.280 0.000 1.089 1105 I CA -0.032 60.912 61.300 -0.593 0.000 1.041 1105 I CB 1.661 38.958 38.000 -1.172 0.000 1.235 1105 I HN 1.397 nan 8.210 nan 0.000 0.423 1106 C N 4.391 123.576 119.300 -0.192 0.000 5.885 1106 C HA -0.343 4.116 4.460 -0.001 0.000 0.328 1106 C C 1.910 176.892 174.990 -0.014 0.000 2.433 1106 C CA 1.483 60.467 59.018 -0.057 0.000 2.197 1106 C CB -1.725 25.950 27.740 -0.108 0.000 3.236 1106 C HN 1.086 nan 8.230 nan 0.000 0.260 1107 A N 0.316 123.103 122.820 -0.054 0.000 2.382 1107 A HA 0.557 4.877 4.320 -0.001 0.000 0.228 1107 A C 2.001 179.563 177.584 -0.036 0.000 1.217 1107 A CA 1.613 53.632 52.037 -0.031 0.000 0.923 1107 A CB -0.705 18.268 19.000 -0.045 0.000 0.979 1107 A HN 1.949 nan 8.150 nan 0.000 0.515 1108 G N 1.879 110.646 108.800 -0.054 0.000 2.440 1108 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.218 1108 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.218 1108 G C -0.051 174.838 174.900 -0.019 0.000 1.154 1108 G CA 1.408 46.489 45.100 -0.032 0.000 0.767 1108 G HN 0.499 nan 8.290 nan 0.000 0.552 1109 P HA -0.117 nan 4.420 nan 0.000 0.224 1109 P C 1.738 179.007 177.300 -0.051 0.000 1.142 1109 P CA 1.806 64.874 63.100 -0.054 0.000 0.778 1109 P CB -0.430 31.210 31.700 -0.100 0.000 0.764 1110 T N -2.922 111.616 114.554 -0.027 0.000 2.995 1110 T HA 0.101 4.450 4.350 -0.001 0.000 0.269 1110 T C 2.036 176.724 174.700 -0.020 0.000 1.091 1110 T CA 0.853 62.945 62.100 -0.012 0.000 1.128 1110 T CB -0.774 68.090 68.868 -0.006 0.000 0.891 1110 T HN 0.023 nan 8.240 nan 0.000 0.492 1111 A N 1.846 124.657 122.820 -0.016 0.000 1.933 1111 A HA 0.167 4.486 4.320 -0.001 0.000 0.218 1111 A C 2.357 179.942 177.584 0.001 0.000 1.175 1111 A CA 1.030 53.042 52.037 -0.043 0.000 0.628 1111 A CB -0.869 18.183 19.000 0.087 0.000 0.814 1111 A HN 0.539 nan 8.150 nan 0.000 0.444 1112 L N -0.971 120.303 121.223 0.085 0.000 2.083 1112 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 1112 L C 2.562 179.579 176.870 0.244 0.000 1.083 1112 L CA 1.236 56.176 54.840 0.167 0.000 0.752 1112 L CB -0.597 41.546 42.059 0.140 0.000 0.899 1112 L HN 0.500 nan 8.230 nan 0.000 0.433 1113 L N 0.411 121.778 121.223 0.240 0.000 2.044 1113 L HA -0.037 4.303 4.340 -0.001 0.000 0.205 1113 L C 2.588 179.567 176.870 0.181 0.000 1.075 1113 L CA 2.009 57.094 54.840 0.408 0.000 0.747 1113 L CB -0.920 41.349 42.059 0.350 0.000 0.903 1113 L HN 0.095 nan 8.230 nan 0.000 0.435 1114 A N -1.491 121.309 122.820 -0.034 0.000 2.070 1114 A HA -0.178 4.141 4.320 -0.001 0.000 0.220 1114 A C 1.501 178.926 177.584 -0.264 0.000 1.159 1114 A CA 1.523 53.444 52.037 -0.193 0.000 0.656 1114 A CB -0.840 17.946 19.000 -0.356 0.000 0.800 1114 A HN 0.729 nan 8.150 nan 0.000 0.453 1115 H N -0.444 118.644 119.070 0.029 0.000 2.505 1115 H HA 0.208 4.764 4.556 -0.001 0.000 0.286 1115 H C -0.222 175.027 175.328 -0.132 0.000 1.072 1115 H CA 0.283 56.311 56.048 -0.033 0.000 1.141 1115 H CB -0.284 29.470 29.762 -0.013 0.000 1.550 1115 H HN 0.690 nan 8.280 nan 0.000 0.547 1116 E N 0.683 120.794 120.200 -0.149 0.000 2.403 1116 E HA -0.185 4.165 4.350 -0.001 0.000 0.241 1116 E C -0.159 176.085 176.600 -0.594 0.000 1.201 1116 E CA 0.207 56.175 56.400 -0.719 0.000 0.721 1116 E CB -1.235 28.015 29.700 -0.749 0.000 1.245 1116 E HN 0.354 nan 8.360 nan 0.000 0.392 1117 I N 0.436 120.935 120.570 -0.118 0.000 2.581 1117 I HA 0.123 4.293 4.170 -0.001 0.000 0.288 1117 I C 1.891 178.102 176.117 0.157 0.000 1.047 1117 I CA 0.983 62.290 61.300 0.011 0.000 1.374 1117 I CB 0.527 38.598 38.000 0.118 0.000 1.423 1117 I HN 0.333 nan 8.210 nan 0.000 0.549 1118 G N 5.141 114.012 108.800 0.118 0.000 2.449 1118 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.304 1118 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.304 1118 G C 0.276 175.337 174.900 0.268 0.000 0.962 1118 G CA -0.108 45.112 45.100 0.201 0.000 0.943 1118 G HN 0.382 nan 8.290 nan 0.000 0.514 1119 F N -0.057 119.812 119.950 -0.136 0.000 2.626 1119 F HA 0.362 4.888 4.527 -0.001 0.000 0.354 1119 F C 1.831 177.508 175.800 -0.206 0.000 1.168 1119 F CA 0.933 58.704 58.000 -0.382 0.000 1.368 1119 F CB 0.539 39.365 39.000 -0.290 0.000 1.092 1119 F HN 0.826 nan 8.300 nan 0.000 0.612 1120 G N 1.670 110.389 108.800 -0.135 0.000 2.179 1120 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.260 1120 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.260 1120 G C 0.271 175.209 174.900 0.063 0.000 0.977 1120 G CA 0.261 45.348 45.100 -0.021 0.000 0.641 1120 G HN 0.710 nan 8.290 nan 0.000 0.533 1121 S N -0.083 115.711 115.700 0.156 0.000 2.632 1121 S HA 0.527 4.996 4.470 -0.001 0.000 0.271 1121 S C 0.295 175.039 174.600 0.241 0.000 1.260 1121 S CA -0.365 57.968 58.200 0.220 0.000 1.010 1121 S CB 1.789 65.158 63.200 0.281 0.000 0.965 1121 S HN 0.477 nan 8.310 nan 0.000 0.534 1122 K N 2.187 122.671 120.400 0.139 0.000 2.267 1122 K HA 0.473 4.792 4.320 -0.001 0.000 0.282 1122 K C -1.036 175.584 176.600 0.034 0.000 1.078 1122 K CA -0.412 55.925 56.287 0.084 0.000 0.903 1122 K CB 0.065 32.590 32.500 0.042 0.000 1.111 1122 K HN 0.506 nan 8.250 nan 0.000 0.475 1123 V N 0.041 119.941 119.914 -0.024 0.000 2.932 1123 V HA 0.474 4.593 4.120 -0.001 0.000 0.307 1123 V C -0.566 175.328 176.094 -0.334 0.000 1.147 1123 V CA -0.929 61.293 62.300 -0.129 0.000 0.951 1123 V CB 1.472 33.224 31.823 -0.118 0.000 1.031 1123 V HN 0.669 nan 8.190 nan 0.000 0.426 1124 T N 2.477 116.809 114.554 -0.369 0.000 2.929 1124 T HA 0.845 5.195 4.350 -0.001 0.000 0.284 1124 T C 0.146 174.686 174.700 -0.267 0.000 1.014 1124 T CA 0.624 62.372 62.100 -0.586 0.000 1.051 1124 T CB 1.506 70.109 68.868 -0.442 0.000 1.028 1124 T HN 1.546 nan 8.240 nan 0.000 0.485 1125 T N 0.775 115.265 114.554 -0.107 0.000 2.604 1125 T HA 0.466 4.815 4.350 -0.001 0.000 0.267 1125 T C -0.405 174.351 174.700 0.093 0.000 0.923 1125 T CA -0.652 61.470 62.100 0.038 0.000 1.077 1125 T CB 0.450 69.393 68.868 0.125 0.000 1.392 1125 T HN 0.727 nan 8.240 nan 0.000 0.531 1126 H N 1.228 120.312 119.070 0.023 0.000 2.652 1126 H HA 0.364 4.919 4.556 -0.001 0.000 0.349 1126 H C -1.891 173.473 175.328 0.059 0.000 1.099 1126 H CA -1.289 54.770 56.048 0.019 0.000 1.417 1126 H CB 1.142 30.897 29.762 -0.012 0.000 1.457 1126 H HN 0.260 nan 8.280 nan 0.000 0.568 1127 P HA -0.253 nan 4.420 nan 0.000 0.220 1127 P C 1.229 178.450 177.300 -0.132 0.000 1.155 1127 P CA 1.681 64.608 63.100 -0.289 0.000 0.880 1127 P CB 0.146 31.618 31.700 -0.380 0.000 0.790 1128 L N -2.207 119.014 121.223 -0.004 0.000 2.313 1128 L HA -0.005 4.334 4.340 -0.001 0.000 0.214 1128 L C 2.189 179.109 176.870 0.083 0.000 1.119 1128 L CA 0.910 55.812 54.840 0.103 0.000 0.809 1128 L CB -0.706 41.477 42.059 0.207 0.000 0.933 1128 L HN -0.052 nan 8.230 nan 0.000 0.449 1129 A N -0.861 122.030 122.820 0.118 0.000 2.218 1129 A HA -0.059 4.261 4.320 -0.001 0.000 0.209 1129 A C 2.243 179.839 177.584 0.020 0.000 1.168 1129 A CA 0.321 52.401 52.037 0.071 0.000 0.804 1129 A CB -0.172 18.887 19.000 0.098 0.000 0.834 1129 A HN 0.113 nan 8.150 nan 0.000 0.482 1130 K N 0.690 121.064 120.400 -0.043 0.000 2.015 1130 K HA -0.249 4.070 4.320 -0.001 0.000 0.216 1130 K C 1.206 177.696 176.600 -0.184 0.000 1.052 1130 K CA 2.218 58.365 56.287 -0.233 0.000 0.937 1130 K CB -0.328 31.911 32.500 -0.435 0.000 0.719 1130 K HN 0.418 nan 8.250 nan 0.000 0.446 1131 D N 0.714 121.038 120.400 -0.127 0.000 2.106 1131 D HA -0.132 4.508 4.640 -0.001 0.000 0.191 1131 D C 1.156 177.431 176.300 -0.042 0.000 0.997 1131 D CA 1.026 54.974 54.000 -0.086 0.000 0.834 1131 D CB -0.140 40.624 40.800 -0.060 0.000 0.956 1131 D HN 0.213 nan 8.370 nan 0.000 0.448 1136 G N 1.546 110.245 108.800 -0.170 0.000 2.213 1136 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.226 1136 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.226 1136 G C 0.916 175.408 174.900 -0.680 0.000 0.992 1136 G CA 0.790 45.634 45.100 -0.427 0.000 0.632 1136 G HN 1.790 nan 8.290 nan 0.000 0.511 1137 G N -0.304 108.266 108.800 -0.383 0.000 2.168 1137 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.257 1137 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.257 1137 G C 0.778 175.452 174.900 -0.376 0.000 0.997 1137 G CA 1.443 46.365 45.100 -0.296 0.000 0.708 1137 G HN 1.046 nan 8.290 nan 0.000 0.520 1138 H N -1.605 117.247 119.070 -0.364 0.000 2.561 1138 H HA 0.176 4.732 4.556 -0.001 0.000 0.278 1138 H C 0.934 175.734 175.328 -0.879 0.000 1.014 1138 H CA 1.361 56.883 56.048 -0.877 0.000 1.211 1138 H CB 0.076 28.826 29.762 -1.686 0.000 1.365 1138 H HN 0.656 nan 8.280 nan 0.000 0.594 1139 Y N -1.298 118.945 120.300 -0.096 0.000 2.818 1139 Y HA 0.364 4.913 4.550 -0.001 0.000 0.322 1139 Y C 0.357 176.269 175.900 0.019 0.000 1.323 1139 Y CA -1.003 57.096 58.100 -0.002 0.000 1.090 1139 Y CB 1.093 39.587 38.460 0.055 0.000 1.328 1139 Y HN -0.342 nan 8.280 nan 0.000 0.482 1140 T N 0.250 114.953 114.554 0.247 0.000 2.856 1140 T HA 0.359 4.709 4.350 -0.001 0.000 0.283 1140 T C -1.747 173.066 174.700 0.187 0.000 1.008 1140 T CA -0.537 61.660 62.100 0.162 0.000 0.997 1140 T CB 0.742 69.672 68.868 0.103 0.000 0.992 1140 T HN 0.352 nan 8.240 nan 0.000 0.454 1141 Y N 1.361 121.685 120.300 0.040 0.000 2.376 1141 Y HA 0.619 5.169 4.550 -0.001 0.000 0.325 1141 Y C 0.432 176.339 175.900 0.012 0.000 1.199 1141 Y CA -0.125 57.986 58.100 0.019 0.000 1.206 1141 Y CB 1.506 39.968 38.460 0.002 0.000 1.229 1141 Y HN 0.601 nan 8.280 nan 0.000 0.480 1142 S N 1.864 117.220 115.700 -0.575 0.000 2.595 1142 S HA 0.434 4.904 4.470 -0.001 0.000 0.281 1142 S C -0.580 173.783 174.600 -0.394 0.000 1.117 1142 S CA -0.591 57.420 58.200 -0.314 0.000 0.873 1142 S CB 1.396 64.455 63.200 -0.235 0.000 1.108 1142 S HN 0.781 nan 8.310 nan 0.000 0.477 1143 E N 0.747 120.868 120.200 -0.131 0.000 2.676 1143 E HA 0.267 4.617 4.350 -0.001 0.000 0.222 1143 E C -0.457 176.112 176.600 -0.052 0.000 0.968 1143 E CA -0.292 56.074 56.400 -0.056 0.000 1.090 1143 E CB 0.413 30.139 29.700 0.044 0.000 1.066 1143 E HN 0.489 nan 8.360 nan 0.000 0.496 1144 N N 1.314 119.974 118.700 -0.066 0.000 2.441 1144 N HA 0.019 4.758 4.740 -0.001 0.000 0.251 1144 N C 0.955 176.443 175.510 -0.036 0.000 1.242 1144 N CA 0.283 53.312 53.050 -0.036 0.000 0.898 1144 N CB 0.696 39.165 38.487 -0.030 0.000 1.100 1144 N HN 0.173 nan 8.380 nan 0.000 0.443 1145 R N 0.338 120.832 120.500 -0.010 0.000 2.105 1145 R HA -0.025 4.315 4.340 -0.001 0.000 0.239 1145 R C 0.073 176.380 176.300 0.011 0.000 1.135 1145 R CA 0.937 57.038 56.100 0.002 0.000 0.967 1145 R CB 0.000 30.314 30.300 0.023 0.000 0.861 1145 R HN 0.264 nan 8.270 nan 0.000 0.442 1146 V N 1.355 121.283 119.914 0.023 0.000 2.525 1146 V HA 0.174 4.293 4.120 -0.001 0.000 0.299 1146 V C -0.977 175.132 176.094 0.024 0.000 1.034 1146 V CA -0.911 61.419 62.300 0.051 0.000 0.863 1146 V CB 1.999 33.880 31.823 0.096 0.000 0.999 1146 V HN 0.015 nan 8.190 nan 0.000 0.423 1147 E N 3.714 123.922 120.200 0.013 0.000 2.151 1147 E HA 0.561 4.911 4.350 -0.001 0.000 0.275 1147 E C -0.662 175.954 176.600 0.026 0.000 0.936 1147 E CA -0.654 55.743 56.400 -0.005 0.000 0.777 1147 E CB 1.488 31.154 29.700 -0.056 0.000 1.108 1147 E HN 0.537 nan 8.360 nan 0.000 0.401 1148 K N 3.607 124.022 120.400 0.025 0.000 2.540 1148 K HA 0.270 4.589 4.320 -0.001 0.000 0.218 1148 K C -1.511 175.107 176.600 0.030 0.000 1.017 1148 K CA -0.500 55.807 56.287 0.033 0.000 1.029 1148 K CB 0.524 33.041 32.500 0.028 0.000 1.348 1148 K HN 0.344 nan 8.250 nan 0.000 0.508 1149 D N 3.692 124.115 120.400 0.038 0.000 2.493 1149 D HA 0.448 5.087 4.640 -0.001 0.000 0.235 1149 D C 0.725 177.056 176.300 0.051 0.000 1.117 1149 D CA 0.807 54.833 54.000 0.043 0.000 0.930 1149 D CB 0.243 41.074 40.800 0.052 0.000 1.010 1149 D HN 0.694 nan 8.370 nan 0.000 0.514 1150 G N 2.660 111.484 108.800 0.040 0.000 2.552 1150 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.267 1150 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.267 1150 G C 0.528 175.451 174.900 0.038 0.000 1.174 1150 G CA 0.099 45.222 45.100 0.039 0.000 0.955 1150 G HN 0.487 nan 8.290 nan 0.000 0.546 1151 L N 1.125 122.375 121.223 0.044 0.000 2.700 1151 L HA 0.425 4.764 4.340 -0.001 0.000 0.234 1151 L C 0.081 176.984 176.870 0.055 0.000 1.156 1151 L CA -0.190 54.675 54.840 0.041 0.000 0.946 1151 L CB 0.188 42.269 42.059 0.037 0.000 1.216 1151 L HN 0.250 nan 8.230 nan 0.000 0.493 1152 I N 1.557 122.167 120.570 0.067 0.000 2.355 1152 I HA 0.307 4.477 4.170 -0.001 0.000 0.288 1152 I C -0.722 175.441 176.117 0.076 0.000 0.999 1152 I CA -0.483 60.867 61.300 0.083 0.000 1.163 1152 I CB 1.931 39.998 38.000 0.112 0.000 1.316 1152 I HN -0.093 nan 8.210 nan 0.000 0.454 1153 L N 7.952 129.229 121.223 0.091 0.000 2.349 1153 L HA 0.646 4.986 4.340 -0.001 0.000 0.278 1153 L C 0.017 176.999 176.870 0.186 0.000 0.996 1153 L CA 0.133 55.044 54.840 0.117 0.000 0.825 1153 L CB 1.693 43.811 42.059 0.099 0.000 1.243 1153 L HN 0.756 nan 8.230 nan 0.000 0.412 1154 T N 0.746 115.374 114.554 0.123 0.000 2.916 1154 T HA 0.866 5.216 4.350 -0.001 0.000 0.292 1154 T C -0.418 174.288 174.700 0.010 0.000 1.064 1154 T CA -0.764 61.366 62.100 0.050 0.000 1.011 1154 T CB 1.812 70.649 68.868 -0.051 0.000 1.152 1154 T HN 0.572 nan 8.240 nan 0.000 0.510 1155 S N -1.407 114.200 115.700 -0.155 0.000 2.638 1155 S HA 0.476 4.945 4.470 -0.001 0.000 0.274 1155 S C 0.582 175.085 174.600 -0.161 0.000 1.157 1155 S CA -0.922 57.184 58.200 -0.157 0.000 0.826 1155 S CB 1.765 64.818 63.200 -0.245 0.000 1.139 1155 S HN 0.772 nan 8.310 nan 0.000 0.474 1156 R N 0.635 121.085 120.500 -0.084 0.000 2.140 1156 R HA 0.334 4.673 4.340 -0.001 0.000 0.213 1156 R C 1.017 177.356 176.300 0.065 0.000 1.059 1156 R CA 0.590 56.678 56.100 -0.019 0.000 1.000 1156 R CB 0.029 30.316 30.300 -0.021 0.000 0.910 1156 R HN 0.630 nan 8.270 nan 0.000 0.455 1157 G N -0.619 108.195 108.800 0.024 0.000 2.430 1157 G HA2 0.166 4.125 3.960 -0.001 0.000 0.300 1157 G HA3 0.166 4.125 3.960 -0.001 0.000 0.300 1157 G C -2.583 172.330 174.900 0.023 0.000 1.330 1157 G CA -0.916 44.220 45.100 0.060 0.000 0.813 1157 G HN -0.332 nan 8.290 nan 0.000 0.487 1158 P HA -0.073 nan 4.420 nan 0.000 0.217 1158 P C 1.951 179.304 177.300 0.089 0.000 1.151 1158 P CA 2.117 65.243 63.100 0.044 0.000 0.849 1158 P CB 0.130 31.850 31.700 0.032 0.000 0.787 1159 G N -1.325 107.523 108.800 0.079 0.000 2.471 1159 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.219 1159 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.219 1159 G C 1.145 176.105 174.900 0.098 0.000 1.125 1159 G CA 1.338 46.488 45.100 0.082 0.000 0.775 1159 G HN 0.386 nan 8.290 nan 0.000 0.548 1160 T N -2.827 111.782 114.554 0.092 0.000 3.092 1160 T HA 0.284 4.633 4.350 -0.001 0.000 0.258 1160 T C 2.127 176.923 174.700 0.160 0.000 1.031 1160 T CA 0.674 62.837 62.100 0.104 0.000 0.925 1160 T CB 0.520 69.420 68.868 0.053 0.000 1.036 1160 T HN 0.021 nan 8.240 nan 0.000 0.544 1161 S N 1.624 117.431 115.700 0.178 0.000 2.351 1161 S HA -0.026 4.443 4.470 -0.001 0.000 0.220 1161 S C 1.312 176.059 174.600 0.244 0.000 1.035 1161 S CA 1.307 59.630 58.200 0.205 0.000 1.031 1161 S CB -0.576 62.707 63.200 0.139 0.000 0.928 1161 S HN 0.522 nan 8.310 nan 0.000 0.433 1162 F N 1.842 121.852 119.950 0.100 0.000 2.161 1162 F HA -0.119 4.407 4.527 -0.001 0.000 0.300 1162 F C 2.392 178.238 175.800 0.078 0.000 1.089 1162 F CA 1.175 59.220 58.000 0.074 0.000 1.282 1162 F CB -0.566 38.462 39.000 0.045 0.000 1.010 1162 F HN 0.288 nan 8.300 nan 0.000 0.485 1163 E N -0.826 119.542 120.200 0.279 0.000 2.106 1163 E HA -0.212 4.137 4.350 -0.001 0.000 0.192 1163 E C 2.002 178.716 176.600 0.191 0.000 0.984 1163 E CA 1.153 57.665 56.400 0.187 0.000 0.806 1163 E CB -0.419 29.371 29.700 0.150 0.000 0.750 1163 E HN 0.357 nan 8.360 nan 0.000 0.458 1164 F N 1.805 121.780 119.950 0.042 0.000 2.046 1164 F HA -0.195 4.331 4.527 -0.001 0.000 0.297 1164 F C 2.232 178.028 175.800 -0.007 0.000 1.123 1164 F CA 1.657 59.663 58.000 0.010 0.000 1.199 1164 F CB -0.720 38.280 39.000 0.001 0.000 0.972 1164 F HN -0.041 nan 8.300 nan 0.000 0.474 1165 A N 0.450 123.218 122.820 -0.087 0.000 1.933 1165 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 1165 A C 2.370 179.867 177.584 -0.146 0.000 1.175 1165 A CA 1.747 53.644 52.037 -0.233 0.000 0.628 1165 A CB -1.211 17.680 19.000 -0.183 0.000 0.814 1165 A HN 0.527 nan 8.150 nan 0.000 0.444 1166 L N -1.005 120.194 121.223 -0.040 0.000 2.141 1166 L HA -0.146 4.193 4.340 -0.001 0.000 0.209 1166 L C 3.059 179.909 176.870 -0.033 0.000 1.094 1166 L CA 0.843 55.676 54.840 -0.011 0.000 0.763 1166 L CB -0.431 41.659 42.059 0.052 0.000 0.908 1166 L HN 0.447 nan 8.230 nan 0.000 0.437 1167 A N 0.404 123.201 122.820 -0.038 0.000 1.902 1167 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 1167 A C 2.184 179.715 177.584 -0.088 0.000 1.181 1167 A CA 1.392 53.405 52.037 -0.040 0.000 0.623 1167 A CB -0.587 18.410 19.000 -0.006 0.000 0.818 1167 A HN 0.336 nan 8.150 nan 0.000 0.443 1168 I N -0.502 119.961 120.570 -0.179 0.000 2.163 1168 I HA -0.240 3.930 4.170 -0.001 0.000 0.243 1168 I C 2.381 178.430 176.117 -0.114 0.000 1.085 1168 I CA 1.282 62.467 61.300 -0.191 0.000 1.347 1168 I CB -0.515 37.296 38.000 -0.315 0.000 1.044 1168 I HN 0.153 nan 8.210 nan 0.000 0.408 1169 V N 0.779 120.632 119.914 -0.102 0.000 2.252 1169 V HA -0.340 3.780 4.120 -0.001 0.000 0.249 1169 V C 2.563 178.633 176.094 -0.040 0.000 1.056 1169 V CA 2.274 64.536 62.300 -0.063 0.000 1.022 1169 V CB -0.691 31.102 31.823 -0.050 0.000 0.641 1169 V HN 0.508 nan 8.190 nan 0.000 0.445 1170 E N -0.059 120.121 120.200 -0.033 0.000 2.160 1170 E HA -0.244 4.105 4.350 -0.001 0.000 0.195 1170 E C 2.163 178.751 176.600 -0.019 0.000 0.991 1170 E CA 1.447 57.836 56.400 -0.019 0.000 0.810 1170 E CB -0.126 29.567 29.700 -0.011 0.000 0.742 1170 E HN 0.591 nan 8.360 nan 0.000 0.466 1171 A N 0.094 122.897 122.820 -0.028 0.000 2.014 1171 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 1171 A C 1.923 179.495 177.584 -0.020 0.000 1.163 1171 A CA 0.726 52.750 52.037 -0.022 0.000 0.652 1171 A CB -0.072 18.912 19.000 -0.028 0.000 0.808 1171 A HN 0.228 nan 8.150 nan 0.000 0.449 1172 L N -1.038 120.169 121.223 -0.027 0.000 2.316 1172 L HA 0.160 4.499 4.340 -0.001 0.000 0.207 1172 L C 1.472 178.333 176.870 -0.014 0.000 1.070 1172 L CA 1.444 56.272 54.840 -0.020 0.000 0.820 1172 L CB -0.241 41.803 42.059 -0.025 0.000 0.992 1172 L HN 0.422 nan 8.230 nan 0.000 0.466 1173 N N -1.311 117.380 118.700 -0.016 0.000 2.171 1173 N HA 0.398 5.138 4.740 -0.001 0.000 0.212 1173 N C 0.287 175.792 175.510 -0.008 0.000 1.184 1173 N CA 0.404 53.447 53.050 -0.011 0.000 0.888 1173 N CB 1.234 39.714 38.487 -0.012 0.000 1.038 1173 N HN 0.263 nan 8.380 nan 0.000 0.517 1174 G N 1.464 110.259 108.800 -0.009 0.000 2.661 1174 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.685 1174 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.685 1174 G C -0.036 174.862 174.900 -0.004 0.000 1.298 1174 G CA -0.642 44.455 45.100 -0.005 0.000 0.855 1174 G HN 0.046 nan 8.290 nan 0.000 0.560 1175 K N -0.161 120.239 120.400 -0.001 0.000 2.062 1175 K HA -0.025 4.295 4.320 -0.001 0.000 0.205 1175 K C 2.293 178.895 176.600 0.003 0.000 1.051 1175 K CA 1.528 57.816 56.287 0.002 0.000 0.941 1175 K CB -0.032 32.470 32.500 0.003 0.000 0.719 1175 K HN 0.604 nan 8.250 nan 0.000 0.440 1176 E N 0.782 120.983 120.200 0.002 0.000 2.038 1176 E HA -0.198 4.151 4.350 -0.001 0.000 0.195 1176 E C 1.941 178.543 176.600 0.003 0.000 1.000 1176 E CA 1.458 57.860 56.400 0.003 0.000 0.803 1176 E CB 0.130 29.831 29.700 0.002 0.000 0.750 1176 E HN 0.014 nan 8.360 nan 0.000 0.448 1177 V N 1.312 121.227 119.914 0.001 0.000 2.295 1177 V HA -0.296 3.823 4.120 -0.001 0.000 0.246 1177 V C 2.460 178.555 176.094 0.003 0.000 1.049 1177 V CA 1.805 64.106 62.300 0.001 0.000 1.024 1177 V CB -0.990 30.831 31.823 -0.003 0.000 0.648 1177 V HN 0.450 nan 8.190 nan 0.000 0.447 1178 A N 0.396 123.217 122.820 0.001 0.000 1.869 1178 A HA -0.270 4.049 4.320 -0.001 0.000 0.218 1178 A C 2.453 180.045 177.584 0.014 0.000 1.203 1178 A CA 2.799 54.839 52.037 0.005 0.000 0.638 1178 A CB -1.113 17.889 19.000 0.003 0.000 0.831 1178 A HN 0.639 nan 8.150 nan 0.000 0.450 1179 A N -1.095 121.733 122.820 0.013 0.000 1.978 1179 A HA -0.221 4.099 4.320 -0.001 0.000 0.220 1179 A C 2.089 179.683 177.584 0.016 0.000 1.170 1179 A CA 1.731 53.777 52.037 0.015 0.000 0.636 1179 A CB -0.570 18.437 19.000 0.011 0.000 0.810 1179 A HN 0.712 nan 8.150 nan 0.000 0.448 1180 Q N -0.774 119.034 119.800 0.013 0.000 2.230 1180 Q HA -0.036 4.303 4.340 -0.001 0.000 0.202 1180 Q C 1.770 177.781 176.000 0.018 0.000 0.963 1180 Q CA 1.329 57.139 55.803 0.013 0.000 0.866 1180 Q CB -0.116 28.627 28.738 0.009 0.000 0.931 1180 Q HN 0.507 nan 8.270 nan 0.000 0.452 1181 V N 0.631 120.558 119.914 0.020 0.000 3.235 1181 V HA -0.110 4.009 4.120 -0.001 0.000 0.259 1181 V C 1.985 178.108 176.094 0.048 0.000 1.133 1181 V CA 1.059 63.376 62.300 0.028 0.000 1.128 1181 V CB -0.116 31.718 31.823 0.018 0.000 0.757 1181 V HN 0.231 nan 8.190 nan 0.000 0.469 1182 K N 0.773 121.201 120.400 0.046 0.000 2.067 1182 K HA -0.012 4.307 4.320 -0.001 0.000 0.203 1182 K C 2.302 178.930 176.600 0.047 0.000 1.048 1182 K CA 1.160 57.484 56.287 0.061 0.000 0.954 1182 K CB -0.265 32.265 32.500 0.050 0.000 0.737 1182 K HN 0.340 nan 8.250 nan 0.000 0.444 1183 A N 2.007 124.845 122.820 0.030 0.000 1.915 1183 A HA -0.168 4.151 4.320 -0.001 0.000 0.220 1183 A C -0.499 177.098 177.584 0.021 0.000 1.198 1183 A CA 1.866 53.916 52.037 0.021 0.000 0.647 1183 A CB -1.775 17.234 19.000 0.016 0.000 0.825 1183 A HN 0.377 nan 8.150 nan 0.000 0.456 1184 P HA -0.032 nan 4.420 nan 0.000 0.223 1184 P C 1.230 178.553 177.300 0.037 0.000 1.151 1184 P CA 0.551 63.669 63.100 0.029 0.000 0.787 1184 P CB -0.094 31.625 31.700 0.032 0.000 0.788 1185 L N -1.473 119.782 121.223 0.053 0.000 2.141 1185 L HA -0.075 4.264 4.340 -0.001 0.000 0.209 1185 L C 0.457 177.319 176.870 -0.014 0.000 1.094 1185 L CA 0.479 55.355 54.840 0.060 0.000 0.763 1185 L CB -0.766 41.366 42.059 0.122 0.000 0.908 1185 L HN -0.239 nan 8.230 nan 0.000 0.437 1186 V N 0.406 120.307 119.914 -0.020 0.000 6.358 1186 V HA -0.235 3.884 4.120 -0.001 0.000 0.310 1186 V C -0.100 175.941 176.094 -0.087 0.000 0.525 1186 V CA 0.283 62.558 62.300 -0.041 0.000 0.682 1186 V CB -2.182 29.620 31.823 -0.034 0.000 0.430 1186 V HN 0.208 nan 8.190 nan 0.000 0.720 1187 L N 0.908 122.078 121.223 -0.089 0.000 2.343 1187 L HA 0.707 5.046 4.340 -0.001 0.000 0.275 1187 L C 1.042 177.865 176.870 -0.077 0.000 1.056 1187 L CA 0.333 55.096 54.840 -0.128 0.000 0.804 1187 L CB 1.218 43.207 42.059 -0.117 0.000 1.203 1187 L HN 0.585 nan 8.230 nan 0.000 0.440 1188 K N 0.000 120.352 120.400 -0.079 0.000 2.780 1188 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 1188 K CA 0.000 56.258 56.287 -0.049 0.000 0.838 1188 K CB 0.000 32.472 32.500 -0.046 0.000 1.064 1188 K HN 0.000 nan 8.250 nan 0.000 0.543