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 1xxm_1_C DATA FIRST_RESID 1001 DATA SEQUENCE AGVMTGAKFT QIQFGMTRQQ VLDIAGAENC ETGGSFGDSI HCRGHAAGDY DATA SEQUENCE YAYATFGFTS AAADAKVDSK SQEALLAPSA PTLTLAKFNQ VTVGMTRAQV DATA SEQUENCE LATVGQGScT TWSEYYPAYP STAGVTLSLS cFDVDGYSST GAARGSAHLW DATA SEQUENCE FTDGVLQGKR QWDLV 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 1001 A HA 0.000 nan 4.320 nan 0.000 0.244 1001 A C 0.000 177.585 177.584 0.001 0.000 1.274 1001 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 1001 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 1002 G N -0.955 107.845 108.800 0.000 0.000 2.725 1002 G HA2 0.242 4.202 3.960 -0.000 0.000 0.220 1002 G HA3 0.242 4.202 3.960 -0.000 0.000 0.220 1002 G C 0.352 175.250 174.900 -0.004 0.000 1.357 1002 G CA -0.154 44.948 45.100 0.003 0.000 0.866 1002 G HN 1.872 nan 8.290 nan 0.000 0.548 1003 V N -2.183 117.730 119.914 -0.001 0.000 3.641 1003 V HA 0.796 4.916 4.120 -0.000 0.000 0.286 1003 V C 1.328 177.411 176.094 -0.019 0.000 1.027 1003 V CA 0.379 62.665 62.300 -0.023 0.000 1.032 1003 V CB 0.984 32.795 31.823 -0.020 0.000 1.238 1003 V HN 1.645 nan 8.190 nan 0.000 0.439 1004 M N 2.720 122.293 119.600 -0.045 0.000 2.245 1004 M HA 0.475 4.955 4.480 -0.000 0.000 0.344 1004 M C 0.047 176.337 176.300 -0.018 0.000 1.170 1004 M CA 0.952 56.241 55.300 -0.019 0.000 1.135 1004 M CB 0.114 32.690 32.600 -0.039 0.000 1.574 1004 M HN 1.299 nan 8.290 nan 0.000 0.452 1005 T N 0.942 115.512 114.554 0.026 0.000 2.865 1005 T HA 0.692 5.042 4.350 -0.000 0.000 0.294 1005 T C 0.782 175.522 174.700 0.067 0.000 1.119 1005 T CA -0.519 61.598 62.100 0.028 0.000 1.007 1005 T CB 1.155 70.048 68.868 0.041 0.000 1.225 1005 T HN 0.639 nan 8.240 nan 0.000 0.515 1006 G N 0.017 108.846 108.800 0.050 0.000 2.408 1006 G HA2 0.102 4.061 3.960 -0.000 0.000 0.217 1006 G HA3 0.102 4.061 3.960 -0.000 0.000 0.217 1006 G C 1.661 176.650 174.900 0.148 0.000 1.150 1006 G CA 0.840 45.991 45.100 0.085 0.000 0.776 1006 G HN 1.151 nan 8.290 nan 0.000 0.542 1007 A N 0.842 123.719 122.820 0.094 0.000 1.933 1007 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 1007 A C 2.303 179.937 177.584 0.082 0.000 1.175 1007 A CA 1.895 53.978 52.037 0.078 0.000 0.628 1007 A CB -0.301 18.728 19.000 0.048 0.000 0.814 1007 A HN 0.381 nan 8.150 nan 0.000 0.444 1008 K N -1.633 118.825 120.400 0.095 0.000 2.057 1008 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 1008 K C 1.780 178.454 176.600 0.124 0.000 1.050 1008 K CA 1.400 57.735 56.287 0.081 0.000 0.935 1008 K CB -0.332 32.218 32.500 0.083 0.000 0.715 1008 K HN 0.478 nan 8.250 nan 0.000 0.439 1009 F N 2.258 122.253 119.950 0.075 0.000 2.126 1009 F HA -0.240 4.286 4.527 -0.001 0.000 0.299 1009 F C 2.113 177.962 175.800 0.081 0.000 1.096 1009 F CA 1.649 59.734 58.000 0.142 0.000 1.255 1009 F CB -0.437 38.614 39.000 0.085 0.000 0.997 1009 F HN -0.083 nan 8.300 nan 0.000 0.479 1010 T N -0.332 114.281 114.554 0.099 0.000 2.821 1010 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 1010 T C 1.899 176.552 174.700 -0.078 0.000 1.046 1010 T CA 1.419 63.516 62.100 -0.005 0.000 1.139 1010 T CB -0.308 68.613 68.868 0.089 0.000 0.871 1010 T HN 0.406 nan 8.240 nan 0.000 0.454 1011 Q N 0.058 119.826 119.800 -0.055 0.000 2.167 1011 Q HA 0.025 4.365 4.340 -0.000 0.000 0.202 1011 Q C 0.443 176.359 176.000 -0.140 0.000 0.970 1011 Q CA 0.619 56.378 55.803 -0.073 0.000 0.855 1011 Q CB -0.154 28.556 28.738 -0.047 0.000 0.911 1011 Q HN 0.487 nan 8.270 nan 0.000 0.438 1012 I N 2.402 122.839 120.570 -0.221 0.000 2.618 1012 I HA -0.068 4.102 4.170 -0.000 0.000 0.284 1012 I C 0.047 175.953 176.117 -0.353 0.000 1.146 1012 I CA 0.207 61.300 61.300 -0.345 0.000 1.425 1012 I CB 0.638 38.293 38.000 -0.575 0.000 1.383 1012 I HN 0.222 nan 8.210 nan 0.000 0.562 1013 Q N 5.611 125.235 119.800 -0.292 0.000 2.348 1013 Q HA 0.456 4.796 4.340 -0.000 0.000 0.271 1013 Q C -0.756 175.103 176.000 -0.235 0.000 1.067 1013 Q CA -0.915 54.759 55.803 -0.215 0.000 0.839 1013 Q CB 2.050 30.744 28.738 -0.072 0.000 1.354 1013 Q HN 0.344 nan 8.270 nan 0.000 0.447 1014 F N 0.271 120.173 119.950 -0.079 0.000 2.553 1014 F HA 0.246 4.773 4.527 -0.000 0.000 0.356 1014 F C 1.660 177.416 175.800 -0.073 0.000 1.142 1014 F CA 2.018 59.962 58.000 -0.094 0.000 1.322 1014 F CB 0.470 39.457 39.000 -0.021 0.000 1.126 1014 F HN 0.858 nan 8.300 nan 0.000 0.599 1015 G N 2.125 110.919 108.800 -0.009 0.000 2.213 1015 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.236 1015 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.236 1015 G C 0.278 175.192 174.900 0.024 0.000 0.991 1015 G CA -0.231 44.909 45.100 0.065 0.000 0.629 1015 G HN 0.475 nan 8.290 nan 0.000 0.517 1016 M N 2.031 121.607 119.600 -0.040 0.000 2.226 1016 M HA 0.405 4.885 4.480 -0.000 0.000 0.324 1016 M C 1.536 177.883 176.300 0.077 0.000 1.112 1016 M CA 0.798 56.084 55.300 -0.023 0.000 1.176 1016 M CB 0.536 33.071 32.600 -0.109 0.000 1.430 1016 M HN 0.462 nan 8.290 nan 0.000 0.462 1017 T N -1.137 113.467 114.554 0.084 0.000 2.847 1017 T HA 0.329 4.678 4.350 -0.000 0.000 0.279 1017 T C 0.946 175.739 174.700 0.155 0.000 0.984 1017 T CA -0.695 61.479 62.100 0.123 0.000 0.988 1017 T CB 1.003 69.891 68.868 0.034 0.000 1.040 1017 T HN 0.649 nan 8.240 nan 0.000 0.528 1018 R N -0.067 120.423 120.500 -0.017 0.000 2.081 1018 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 1018 R C 2.584 178.848 176.300 -0.060 0.000 1.131 1018 R CA 1.439 57.433 56.100 -0.177 0.000 0.960 1018 R CB -0.403 29.631 30.300 -0.444 0.000 0.856 1018 R HN 0.617 nan 8.270 nan 0.000 0.436 1019 Q N 0.930 120.695 119.800 -0.057 0.000 2.170 1019 Q HA -0.151 4.189 4.340 -0.000 0.000 0.203 1019 Q C 1.834 177.811 176.000 -0.037 0.000 0.976 1019 Q CA 1.647 57.423 55.803 -0.044 0.000 0.858 1019 Q CB 0.091 28.807 28.738 -0.038 0.000 0.907 1019 Q HN 0.367 nan 8.270 nan 0.000 0.433 1020 Q N -1.234 118.547 119.800 -0.033 0.000 2.119 1020 Q HA -0.087 4.253 4.340 -0.000 0.000 0.201 1020 Q C 2.039 177.984 176.000 -0.092 0.000 0.972 1020 Q CA 1.439 57.211 55.803 -0.053 0.000 0.847 1020 Q CB 0.124 28.832 28.738 -0.050 0.000 0.903 1020 Q HN 0.248 nan 8.270 nan 0.000 0.433 1021 V N 1.166 121.020 119.914 -0.100 0.000 2.270 1021 V HA -0.264 3.855 4.120 -0.000 0.000 0.245 1021 V C 2.218 178.240 176.094 -0.119 0.000 1.043 1021 V CA 1.546 63.725 62.300 -0.203 0.000 1.014 1021 V CB -0.529 31.184 31.823 -0.182 0.000 0.645 1021 V HN 0.343 nan 8.190 nan 0.000 0.447 1022 L N -0.114 121.079 121.223 -0.051 0.000 2.012 1022 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 1022 L C 2.403 179.253 176.870 -0.034 0.000 1.073 1022 L CA 1.766 56.590 54.840 -0.028 0.000 0.748 1022 L CB -0.849 41.196 42.059 -0.023 0.000 0.891 1022 L HN 0.358 nan 8.230 nan 0.000 0.431 1023 D N 0.045 120.420 120.400 -0.041 0.000 2.178 1023 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 1023 D C 2.256 178.533 176.300 -0.039 0.000 0.980 1023 D CA 1.255 55.234 54.000 -0.036 0.000 0.842 1023 D CB 0.023 40.803 40.800 -0.035 0.000 0.948 1023 D HN 0.374 nan 8.370 nan 0.000 0.472 1024 I N 0.822 121.357 120.570 -0.058 0.000 2.277 1024 I HA -0.135 4.034 4.170 -0.000 0.000 0.243 1024 I C 2.417 178.514 176.117 -0.034 0.000 1.094 1024 I CA 0.751 62.017 61.300 -0.057 0.000 1.393 1024 I CB -0.115 37.827 38.000 -0.097 0.000 1.078 1024 I HN -0.101 nan 8.210 nan 0.000 0.417 1025 A N 0.511 123.311 122.820 -0.032 0.000 2.014 1025 A HA 0.256 4.576 4.320 -0.000 0.000 0.218 1025 A C 1.348 178.934 177.584 0.004 0.000 1.163 1025 A CA 1.042 53.087 52.037 0.014 0.000 0.652 1025 A CB -0.626 18.410 19.000 0.060 0.000 0.808 1025 A HN 0.568 nan 8.150 nan 0.000 0.449 1026 G N -1.977 106.818 108.800 -0.009 0.000 3.383 1026 G HA2 0.275 4.235 3.960 -0.000 0.000 0.685 1026 G HA3 0.275 4.235 3.960 -0.000 0.000 0.685 1026 G C 0.656 175.548 174.900 -0.013 0.000 1.104 1026 G CA 0.186 45.279 45.100 -0.012 0.000 0.957 1026 G HN 1.318 nan 8.290 nan 0.000 0.461 1027 A N 1.924 124.735 122.820 -0.014 0.000 1.958 1027 A HA -0.093 4.227 4.320 -0.000 0.000 0.221 1027 A C 2.181 179.754 177.584 -0.017 0.000 1.178 1027 A CA 2.565 54.594 52.037 -0.013 0.000 0.642 1027 A CB -0.292 18.701 19.000 -0.013 0.000 0.816 1027 A HN 0.987 nan 8.150 nan 0.000 0.453 1028 E N 0.723 120.910 120.200 -0.022 0.000 2.209 1028 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 1028 E C 1.432 178.003 176.600 -0.049 0.000 0.993 1028 E CA 1.288 57.670 56.400 -0.029 0.000 0.819 1028 E CB -0.267 29.417 29.700 -0.027 0.000 0.745 1028 E HN 0.697 nan 8.360 nan 0.000 0.477 1029 N N -0.424 118.243 118.700 -0.056 0.000 2.412 1029 N HA 0.010 4.749 4.740 -0.000 0.000 0.184 1029 N C -0.234 175.215 175.510 -0.101 0.000 1.101 1029 N CA 0.289 53.282 53.050 -0.095 0.000 0.881 1029 N CB 0.184 38.619 38.487 -0.087 0.000 0.969 1029 N HN 0.138 nan 8.380 nan 0.000 0.459 1030 C N 1.058 120.327 119.300 -0.051 0.000 2.401 1030 C HA 0.647 5.107 4.460 -0.000 0.000 0.356 1030 C C 0.474 175.461 174.990 -0.005 0.000 1.192 1030 C CA -0.961 58.039 59.018 -0.031 0.000 2.028 1030 C CB 1.430 29.180 27.740 0.018 0.000 2.344 1030 C HN 0.423 nan 8.230 nan 0.000 0.525 1031 E N -0.328 119.881 120.200 0.016 0.000 2.449 1031 E HA 0.753 5.103 4.350 -0.000 0.000 0.278 1031 E C -1.251 175.396 176.600 0.080 0.000 0.992 1031 E CA -0.439 55.995 56.400 0.055 0.000 0.807 1031 E CB 2.020 31.777 29.700 0.095 0.000 1.350 1031 E HN 0.608 nan 8.360 nan 0.000 0.462 1032 T N -0.757 113.864 114.554 0.113 0.000 2.762 1032 T HA 0.644 4.993 4.350 -0.000 0.000 0.301 1032 T C -0.079 174.712 174.700 0.151 0.000 1.299 1032 T CA 0.585 62.770 62.100 0.140 0.000 1.005 1032 T CB 1.024 69.942 68.868 0.082 0.000 1.377 1032 T HN 1.498 nan 8.240 nan 0.000 0.504 1033 G N 0.193 109.080 108.800 0.145 0.000 2.750 1033 G HA2 0.329 4.289 3.960 -0.000 0.000 0.228 1033 G HA3 0.329 4.289 3.960 -0.000 0.000 0.228 1033 G C 1.006 175.967 174.900 0.102 0.000 1.367 1033 G CA 0.484 45.645 45.100 0.100 0.000 0.871 1033 G HN 2.387 nan 8.290 nan 0.000 0.560 1034 G N -1.178 107.647 108.800 0.041 0.000 2.651 1034 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.315 1034 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.315 1034 G C 1.704 176.556 174.900 -0.081 0.000 1.258 1034 G CA 1.965 47.061 45.100 -0.006 0.000 1.002 1034 G HN 2.188 nan 8.290 nan 0.000 0.551 1035 S N 0.239 115.818 115.700 -0.201 0.000 2.442 1035 S HA 0.061 4.531 4.470 -0.000 0.000 0.236 1035 S C 1.674 175.915 174.600 -0.598 0.000 1.007 1035 S CA 2.040 59.966 58.200 -0.456 0.000 0.965 1035 S CB -0.231 62.547 63.200 -0.703 0.000 0.773 1035 S HN 0.430 nan 8.310 nan 0.000 0.504 1036 F N 1.145 121.059 119.950 -0.060 0.000 2.664 1036 F HA 0.330 4.856 4.527 -0.000 0.000 0.303 1036 F C 1.846 177.650 175.800 0.007 0.000 1.092 1036 F CA -0.113 57.864 58.000 -0.039 0.000 1.305 1036 F CB -0.460 38.527 39.000 -0.022 0.000 1.054 1036 F HN 0.265 nan 8.300 nan 0.000 0.565 1037 G N 1.134 109.996 108.800 0.103 0.000 2.672 1037 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.324 1037 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.324 1037 G C 0.913 175.885 174.900 0.119 0.000 1.286 1037 G CA 0.932 46.084 45.100 0.086 0.000 1.004 1037 G HN 0.294 nan 8.290 nan 0.000 0.548 1038 D N 1.270 121.741 120.400 0.118 0.000 2.347 1038 D HA 0.165 4.805 4.640 -0.000 0.000 0.215 1038 D C 1.575 177.995 176.300 0.200 0.000 0.976 1038 D CA 1.000 55.074 54.000 0.122 0.000 0.884 1038 D CB -0.016 40.855 40.800 0.118 0.000 0.915 1038 D HN 0.289 nan 8.370 nan 0.000 0.526 1039 S N 0.189 116.044 115.700 0.259 0.000 2.614 1039 S HA 0.328 4.798 4.470 -0.000 0.000 0.265 1039 S C 0.609 175.399 174.600 0.318 0.000 1.303 1039 S CA -0.364 58.049 58.200 0.355 0.000 1.000 1039 S CB 1.378 64.749 63.200 0.286 0.000 0.935 1039 S HN 0.042 nan 8.310 nan 0.000 0.551 1040 I N 1.723 122.538 120.570 0.407 0.000 2.355 1040 I HA 0.238 4.408 4.170 -0.000 0.000 0.288 1040 I C -0.575 175.672 176.117 0.217 0.000 0.999 1040 I CA -0.411 61.074 61.300 0.308 0.000 1.163 1040 I CB 1.155 39.404 38.000 0.415 0.000 1.316 1040 I HN 0.619 nan 8.210 nan 0.000 0.454 1041 H N 5.852 124.839 119.070 -0.139 0.000 2.504 1041 H HA 0.483 5.039 4.556 -0.000 0.000 0.322 1041 H C -1.270 173.959 175.328 -0.164 0.000 1.055 1041 H CA -0.366 55.467 56.048 -0.359 0.000 1.231 1041 H CB 1.007 30.053 29.762 -1.194 0.000 1.417 1041 H HN 0.589 nan 8.280 nan 0.000 0.472 1042 C N 6.355 125.410 119.300 -0.409 0.000 2.345 1042 C HA 0.501 4.961 4.460 -0.000 0.000 0.323 1042 C C 0.171 174.932 174.990 -0.382 0.000 1.276 1042 C CA -0.933 57.925 59.018 -0.265 0.000 1.543 1042 C CB 0.303 28.051 27.740 0.014 0.000 2.211 1042 C HN 0.852 nan 8.230 nan 0.000 0.493 1043 R N 1.310 121.587 120.500 -0.372 0.000 2.410 1043 R HA 0.579 4.919 4.340 -0.000 0.000 0.288 1043 R C 0.790 176.929 176.300 -0.267 0.000 1.051 1043 R CA 0.028 55.891 56.100 -0.395 0.000 1.021 1043 R CB 1.104 31.000 30.300 -0.674 0.000 1.032 1043 R HN 0.941 nan 8.270 nan 0.000 0.481 1044 G N 0.455 109.128 108.800 -0.211 0.000 2.940 1044 G HA2 0.159 4.119 3.960 -0.000 0.000 0.164 1044 G HA3 0.159 4.119 3.960 -0.000 0.000 0.164 1044 G C -0.817 174.033 174.900 -0.083 0.000 1.326 1044 G CA -0.513 44.485 45.100 -0.169 0.000 1.020 1044 G HN 0.756 nan 8.290 nan 0.000 0.586 1045 H N -0.735 118.362 119.070 0.044 0.000 2.690 1045 H HA 0.641 5.197 4.556 -0.000 0.000 0.365 1045 H C 0.484 175.915 175.328 0.171 0.000 1.142 1045 H CA -0.537 55.563 56.048 0.088 0.000 1.417 1045 H CB 0.238 30.017 29.762 0.028 0.000 1.446 1045 H HN 0.524 nan 8.280 nan 0.000 0.599 1046 A N 1.774 124.830 122.820 0.393 0.000 2.561 1046 A HA 0.476 4.795 4.320 -0.000 0.000 0.234 1046 A C 0.233 177.869 177.584 0.086 0.000 1.055 1046 A CA 0.308 52.377 52.037 0.052 0.000 0.756 1046 A CB -0.939 18.005 19.000 -0.093 0.000 0.986 1046 A HN 1.364 nan 8.150 nan 0.000 0.505 1047 A N 2.225 124.993 122.820 -0.087 0.000 2.497 1047 A HA 0.693 5.013 4.320 -0.000 0.000 0.280 1047 A C 0.749 178.291 177.584 -0.071 0.000 1.065 1047 A CA 0.488 52.515 52.037 -0.017 0.000 0.781 1047 A CB 0.237 19.270 19.000 0.057 0.000 1.289 1047 A HN 2.909 nan 8.150 nan 0.000 0.415 1048 G N 1.904 110.659 108.800 -0.075 0.000 2.591 1048 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.298 1048 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.298 1048 G C 0.462 175.312 174.900 -0.082 0.000 1.195 1048 G CA 0.777 45.839 45.100 -0.064 0.000 0.989 1048 G HN 0.737 nan 8.290 nan 0.000 0.551 1049 D N -0.612 119.765 120.400 -0.038 0.000 2.339 1049 D HA 0.327 4.967 4.640 -0.000 0.000 0.217 1049 D C 0.686 176.994 176.300 0.014 0.000 1.050 1049 D CA 0.810 54.794 54.000 -0.028 0.000 0.856 1049 D CB 0.429 41.233 40.800 0.006 0.000 0.922 1049 D HN 0.296 nan 8.370 nan 0.000 0.518 1050 Y N -0.828 119.353 120.300 -0.198 0.000 3.051 1050 Y HA 0.316 4.865 4.550 -0.000 0.000 0.243 1050 Y C -1.071 174.550 175.900 -0.465 0.000 2.263 1050 Y CA -0.571 57.406 58.100 -0.206 0.000 0.905 1050 Y CB 0.679 39.179 38.460 0.067 0.000 1.570 1050 Y HN -0.289 nan 8.280 nan 0.000 0.494 1051 Y N -0.863 119.350 120.300 -0.144 0.000 2.725 1051 Y HA 0.658 5.208 4.550 -0.000 0.000 0.333 1051 Y C -0.368 175.563 175.900 0.052 0.000 1.242 1051 Y CA -1.486 56.524 58.100 -0.151 0.000 1.059 1051 Y CB 0.559 38.793 38.460 -0.377 0.000 1.306 1051 Y HN 0.495 nan 8.280 nan 0.000 0.454 1052 A N 0.753 123.604 122.820 0.051 0.000 2.351 1052 A HA 0.662 4.982 4.320 -0.000 0.000 0.257 1052 A C -1.291 176.305 177.584 0.021 0.000 1.087 1052 A CA -0.012 51.962 52.037 -0.105 0.000 0.798 1052 A CB -0.224 18.518 19.000 -0.431 0.000 1.033 1052 A HN 0.876 nan 8.150 nan 0.000 0.488 1053 Y N -2.426 117.809 120.300 -0.108 0.000 2.750 1053 Y HA 0.732 5.282 4.550 -0.000 0.000 0.335 1053 Y C -0.611 175.167 175.900 -0.204 0.000 1.252 1053 Y CA -0.891 57.113 58.100 -0.161 0.000 1.064 1053 Y CB 0.732 39.181 38.460 -0.019 0.000 1.321 1053 Y HN 1.159 nan 8.280 nan 0.000 0.451 1054 A N 0.757 123.524 122.820 -0.088 0.000 2.475 1054 A HA 0.832 5.152 4.320 -0.000 0.000 0.301 1054 A C -1.376 176.094 177.584 -0.190 0.000 1.059 1054 A CA -0.746 51.147 52.037 -0.241 0.000 0.710 1054 A CB 1.719 20.586 19.000 -0.222 0.000 1.288 1054 A HN 0.801 nan 8.150 nan 0.000 0.408 1055 T N 1.676 116.070 114.554 -0.266 0.000 2.879 1055 T HA 0.609 4.959 4.350 -0.000 0.000 0.290 1055 T C -1.392 173.060 174.700 -0.412 0.000 0.993 1055 T CA 0.045 62.061 62.100 -0.139 0.000 0.975 1055 T CB 0.336 69.317 68.868 0.189 0.000 0.981 1055 T HN 0.341 nan 8.240 nan 0.000 0.439 1056 F N 1.723 121.733 119.950 0.101 0.000 2.426 1056 F HA 0.623 5.150 4.527 -0.000 0.000 0.348 1056 F C 0.931 176.675 175.800 -0.094 0.000 1.124 1056 F CA -0.859 57.100 58.000 -0.068 0.000 1.008 1056 F CB 1.543 40.450 39.000 -0.154 0.000 1.139 1056 F HN 0.663 nan 8.300 nan 0.000 0.452 1057 G N 2.510 111.298 108.800 -0.020 0.000 2.389 1057 G HA2 0.613 4.573 3.960 -0.000 0.000 0.317 1057 G HA3 0.613 4.573 3.960 -0.000 0.000 0.317 1057 G C -1.451 173.328 174.900 -0.201 0.000 1.137 1057 G CA -0.275 44.836 45.100 0.019 0.000 0.870 1057 G HN 0.364 nan 8.290 nan 0.000 0.496 1058 F N -0.612 119.402 119.950 0.108 0.000 2.579 1058 F HA 0.356 4.883 4.527 -0.001 0.000 0.324 1058 F C 1.900 177.753 175.800 0.089 0.000 1.058 1058 F CA -0.437 57.609 58.000 0.077 0.000 0.944 1058 F CB 2.081 41.114 39.000 0.054 0.000 1.245 1058 F HN 0.570 nan 8.300 nan 0.000 0.477 1059 T N -2.570 112.132 114.554 0.248 0.000 2.849 1059 T HA 0.016 4.366 4.350 -0.000 0.000 0.270 1059 T C 0.594 175.406 174.700 0.186 0.000 1.066 1059 T CA 1.294 63.514 62.100 0.200 0.000 1.130 1059 T CB -0.375 68.597 68.868 0.173 0.000 0.864 1059 T HN 0.637 nan 8.240 nan 0.000 0.481 1060 S N -0.884 114.928 115.700 0.186 0.000 2.727 1060 S HA 0.731 5.201 4.470 -0.000 0.000 0.278 1060 S C 0.722 175.381 174.600 0.099 0.000 1.186 1060 S CA -0.437 57.840 58.200 0.128 0.000 0.836 1060 S CB 1.023 64.281 63.200 0.096 0.000 1.186 1060 S HN 0.361 nan 8.310 nan 0.000 0.499 1061 A N 0.017 122.870 122.820 0.056 0.000 2.218 1061 A HA 0.730 5.050 4.320 -0.000 0.000 0.209 1061 A C 1.256 178.826 177.584 -0.024 0.000 1.168 1061 A CA 0.531 52.576 52.037 0.014 0.000 0.804 1061 A CB -1.256 17.755 19.000 0.020 0.000 0.834 1061 A HN 1.548 nan 8.150 nan 0.000 0.482 1062 A N -0.700 122.117 122.820 -0.005 0.000 2.492 1062 A HA 0.447 4.767 4.320 -0.000 0.000 0.236 1062 A C 1.556 179.104 177.584 -0.061 0.000 1.078 1062 A CA 0.360 52.387 52.037 -0.017 0.000 0.773 1062 A CB 0.022 19.028 19.000 0.010 0.000 1.023 1062 A HN 1.183 nan 8.150 nan 0.000 0.504 1063 A N 0.377 123.162 122.820 -0.057 0.000 2.119 1063 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 1063 A C 1.273 178.814 177.584 -0.070 0.000 1.153 1063 A CA 1.620 53.607 52.037 -0.084 0.000 0.692 1063 A CB -0.304 18.662 19.000 -0.057 0.000 0.799 1063 A HN 0.878 nan 8.150 nan 0.000 0.458 1064 D N -0.452 119.932 120.400 -0.028 0.000 2.368 1064 D HA 0.385 5.024 4.640 -0.000 0.000 0.218 1064 D C 0.579 176.905 176.300 0.043 0.000 1.112 1064 D CA 0.409 54.412 54.000 0.005 0.000 0.834 1064 D CB -0.468 40.343 40.800 0.018 0.000 0.953 1064 D HN 0.286 nan 8.370 nan 0.000 0.505 1065 A N 0.620 123.462 122.820 0.037 0.000 2.429 1065 A HA 0.393 4.713 4.320 -0.000 0.000 0.242 1065 A C 0.103 177.835 177.584 0.247 0.000 1.088 1065 A CA -0.037 52.077 52.037 0.128 0.000 0.784 1065 A CB 0.341 19.419 19.000 0.130 0.000 1.038 1065 A HN 0.158 nan 8.150 nan 0.000 0.501 1066 K N -0.143 120.406 120.400 0.248 0.000 2.267 1066 K HA 0.534 4.854 4.320 -0.000 0.000 0.246 1066 K C -0.959 175.622 176.600 -0.032 0.000 0.954 1066 K CA -0.677 55.694 56.287 0.140 0.000 0.824 1066 K CB 1.879 34.374 32.500 -0.008 0.000 1.167 1066 K HN 0.320 nan 8.250 nan 0.000 0.431 1067 V N 3.285 123.038 119.914 -0.269 0.000 2.485 1067 V HA -0.019 4.100 4.120 -0.000 0.000 0.287 1067 V C 0.229 176.139 176.094 -0.306 0.000 1.022 1067 V CA 0.564 62.523 62.300 -0.569 0.000 1.067 1067 V CB 0.267 31.766 31.823 -0.540 0.000 0.967 1067 V HN 0.952 nan 8.190 nan 0.000 0.479 1068 D N 1.930 122.262 120.400 -0.113 0.000 2.500 1068 D HA 0.136 4.776 4.640 -0.000 0.000 0.217 1068 D C 0.413 177.085 176.300 0.620 0.000 1.159 1068 D CA 0.028 54.136 54.000 0.180 0.000 0.828 1068 D CB 0.812 41.687 40.800 0.125 0.000 1.039 1068 D HN 0.423 nan 8.370 nan 0.000 0.512 1069 S N -0.605 115.360 115.700 0.443 0.000 2.572 1069 S HA 0.558 5.028 4.470 -0.000 0.000 0.274 1069 S C -1.707 173.027 174.600 0.224 0.000 1.150 1069 S CA -0.777 57.703 58.200 0.467 0.000 0.944 1069 S CB 1.134 64.437 63.200 0.172 0.000 1.071 1069 S HN 0.054 nan 8.310 nan 0.000 0.479 1070 K N 2.540 123.101 120.400 0.269 0.000 2.463 1070 K HA 0.640 4.960 4.320 -0.000 0.000 0.255 1070 K C -1.297 175.476 176.600 0.288 0.000 0.942 1070 K CA -0.669 55.694 56.287 0.127 0.000 0.814 1070 K CB 2.040 34.460 32.500 -0.132 0.000 1.122 1070 K HN 0.500 nan 8.250 nan 0.000 0.425 1071 S N 2.105 117.917 115.700 0.188 0.000 2.548 1071 S HA 0.479 4.949 4.470 -0.000 0.000 0.286 1071 S C -1.459 173.118 174.600 -0.039 0.000 1.098 1071 S CA -0.888 57.422 58.200 0.183 0.000 0.930 1071 S CB 1.898 65.202 63.200 0.173 0.000 1.070 1071 S HN 0.628 nan 8.310 nan 0.000 0.480 1072 Q N 0.511 120.193 119.800 -0.197 0.000 2.472 1072 Q HA 0.659 4.998 4.340 -0.000 0.000 0.281 1072 Q C -1.873 173.748 176.000 -0.632 0.000 0.997 1072 Q CA -0.706 54.707 55.803 -0.650 0.000 0.828 1072 Q CB 1.217 29.205 28.738 -1.249 0.000 1.443 1072 Q HN 0.505 nan 8.270 nan 0.000 0.390 1073 E N 0.953 120.628 120.200 -0.876 0.000 2.263 1073 E HA 0.600 4.950 4.350 -0.000 0.000 0.268 1073 E C -0.720 175.610 176.600 -0.449 0.000 0.884 1073 E CA -0.653 55.340 56.400 -0.679 0.000 0.766 1073 E CB 1.860 31.153 29.700 -0.678 0.000 1.196 1073 E HN 1.149 nan 8.360 nan 0.000 0.416 1074 A N 2.608 125.288 122.820 -0.234 0.000 2.899 1074 A HA -0.235 4.084 4.320 -0.000 0.000 0.257 1074 A C 0.608 178.130 177.584 -0.103 0.000 1.335 1074 A CA 1.251 53.230 52.037 -0.095 0.000 0.924 1074 A CB -2.026 16.875 19.000 -0.165 0.000 1.105 1074 A HN 0.646 nan 8.150 nan 0.000 0.765 1075 L N -1.786 119.316 121.223 -0.201 0.000 2.316 1075 L HA 0.306 4.646 4.340 -0.000 0.000 0.207 1075 L C 0.940 177.742 176.870 -0.114 0.000 1.070 1075 L CA 0.393 55.122 54.840 -0.185 0.000 0.820 1075 L CB 0.009 41.890 42.059 -0.296 0.000 0.992 1075 L HN 0.445 nan 8.230 nan 0.000 0.466 1076 L N 0.500 121.620 121.223 -0.172 0.000 2.307 1076 L HA 0.557 4.897 4.340 -0.000 0.000 0.282 1076 L C -0.076 176.581 176.870 -0.355 0.000 1.051 1076 L CA -0.460 54.281 54.840 -0.164 0.000 0.804 1076 L CB 1.557 43.544 42.059 -0.121 0.000 1.197 1076 L HN -0.031 nan 8.230 nan 0.000 0.431 1077 A N 5.037 127.609 122.820 -0.414 0.000 2.317 1077 A HA 0.782 5.102 4.320 -0.000 0.000 0.327 1077 A C -2.383 174.909 177.584 -0.487 0.000 1.178 1077 A CA -1.509 50.032 52.037 -0.828 0.000 0.817 1077 A CB 0.582 19.281 19.000 -0.501 0.000 1.189 1077 A HN 0.473 nan 8.150 nan 0.000 0.489 1078 P HA 0.070 nan 4.420 nan 0.000 0.271 1078 P C 0.822 178.055 177.300 -0.111 0.000 1.216 1078 P CA 0.158 63.161 63.100 -0.160 0.000 0.776 1078 P CB 1.260 32.951 31.700 -0.015 0.000 0.881 1079 S N 2.383 118.060 115.700 -0.039 0.000 2.387 1079 S HA 0.058 4.528 4.470 -0.000 0.000 0.226 1079 S C 0.997 175.596 174.600 -0.002 0.000 1.026 1079 S CA 0.661 58.849 58.200 -0.021 0.000 0.972 1079 S CB -0.318 62.882 63.200 0.001 0.000 0.814 1079 S HN 0.695 nan 8.310 nan 0.000 0.477 1080 A N 1.996 124.827 122.820 0.018 0.000 3.124 1080 A HA 0.523 4.842 4.320 -0.000 0.000 0.295 1080 A C -3.133 174.486 177.584 0.058 0.000 1.199 1080 A CA -1.213 50.843 52.037 0.032 0.000 0.845 1080 A CB 0.703 19.722 19.000 0.032 0.000 1.381 1080 A HN 0.306 nan 8.150 nan 0.000 0.537 1081 P HA 0.154 nan 4.420 nan 0.000 0.269 1081 P C 0.494 177.857 177.300 0.106 0.000 1.252 1081 P CA 0.576 63.749 63.100 0.121 0.000 0.780 1081 P CB 0.746 32.536 31.700 0.151 0.000 0.829 1082 T N 0.182 114.799 114.554 0.105 0.000 3.209 1082 T HA 0.149 4.498 4.350 -0.000 0.000 0.295 1082 T C 0.419 175.175 174.700 0.095 0.000 0.977 1082 T CA -0.421 61.731 62.100 0.087 0.000 0.922 1082 T CB -0.351 68.558 68.868 0.068 0.000 1.152 1082 T HN 0.121 nan 8.240 nan 0.000 0.527 1083 L N 4.052 125.346 121.223 0.118 0.000 2.485 1083 L HA 0.568 4.908 4.340 -0.000 0.000 0.275 1083 L C 0.219 177.155 176.870 0.110 0.000 1.207 1083 L CA 1.031 55.944 54.840 0.122 0.000 0.855 1083 L CB 0.618 42.762 42.059 0.141 0.000 1.114 1083 L HN 0.573 nan 8.230 nan 0.000 0.485 1084 T N 1.518 116.137 114.554 0.108 0.000 2.841 1084 T HA 0.336 4.686 4.350 -0.000 0.000 0.296 1084 T C 0.510 175.275 174.700 0.109 0.000 1.166 1084 T CA -0.365 61.789 62.100 0.090 0.000 1.007 1084 T CB 0.692 69.603 68.868 0.072 0.000 1.253 1084 T HN 0.588 nan 8.240 nan 0.000 0.511 1085 L N 1.479 122.749 121.223 0.079 0.000 2.093 1085 L HA 0.238 4.578 4.340 -0.000 0.000 0.208 1085 L C 2.751 179.701 176.870 0.135 0.000 1.085 1085 L CA 2.517 57.410 54.840 0.089 0.000 0.755 1085 L CB -1.367 40.715 42.059 0.038 0.000 0.904 1085 L HN 0.937 nan 8.230 nan 0.000 0.435 1086 A N -0.432 122.441 122.820 0.089 0.000 1.883 1086 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 1086 A C 2.348 179.975 177.584 0.073 0.000 1.186 1086 A CA 2.080 54.159 52.037 0.070 0.000 0.624 1086 A CB -0.516 18.513 19.000 0.047 0.000 0.822 1086 A HN 0.509 nan 8.150 nan 0.000 0.444 1087 K N -1.636 118.815 120.400 0.084 0.000 2.057 1087 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 1087 K C 1.812 178.454 176.600 0.070 0.000 1.050 1087 K CA 1.486 57.813 56.287 0.067 0.000 0.935 1087 K CB -0.357 32.189 32.500 0.076 0.000 0.715 1087 K HN 0.505 nan 8.250 nan 0.000 0.439 1088 F N 2.644 122.586 119.950 -0.013 0.000 2.095 1088 F HA -0.226 4.300 4.527 -0.000 0.000 0.298 1088 F C 1.490 177.257 175.800 -0.055 0.000 1.104 1088 F CA 1.695 59.675 58.000 -0.034 0.000 1.232 1088 F CB -0.327 38.653 39.000 -0.032 0.000 0.987 1088 F HN 0.063 nan 8.300 nan 0.000 0.475 1089 N N -0.467 118.282 118.700 0.082 0.000 2.443 1089 N HA -0.180 4.560 4.740 -0.000 0.000 0.184 1089 N C 1.400 176.832 175.510 -0.130 0.000 1.037 1089 N CA 0.833 53.865 53.050 -0.029 0.000 0.896 1089 N CB -0.139 38.389 38.487 0.068 0.000 0.959 1089 N HN 0.540 nan 8.380 nan 0.000 0.442 1090 Q N 0.128 119.858 119.800 -0.116 0.000 2.424 1090 Q HA 0.111 4.451 4.340 -0.000 0.000 0.204 1090 Q C -0.068 175.835 176.000 -0.161 0.000 0.933 1090 Q CA 0.057 55.795 55.803 -0.108 0.000 0.929 1090 Q CB 0.720 29.425 28.738 -0.056 0.000 1.037 1090 Q HN 0.088 nan 8.270 nan 0.000 0.511 1091 V N 2.037 121.795 119.914 -0.259 0.000 2.637 1091 V HA 0.103 4.222 4.120 -0.000 0.000 0.296 1091 V C 0.391 176.295 176.094 -0.316 0.000 1.046 1091 V CA 0.235 62.359 62.300 -0.294 0.000 1.066 1091 V CB 1.010 32.581 31.823 -0.420 0.000 0.968 1091 V HN 0.285 nan 8.190 nan 0.000 0.483 1092 T N 1.469 115.873 114.554 -0.251 0.000 2.886 1092 T HA 0.600 4.950 4.350 -0.000 0.000 0.292 1092 T C -0.655 173.896 174.700 -0.248 0.000 1.012 1092 T CA -0.779 61.179 62.100 -0.236 0.000 0.982 1092 T CB 1.468 70.240 68.868 -0.160 0.000 1.018 1092 T HN 0.271 nan 8.240 nan 0.000 0.451 1093 V N 2.913 122.667 119.914 -0.267 0.000 2.617 1093 V HA 0.414 4.534 4.120 -0.000 0.000 0.304 1093 V C 1.780 177.764 176.094 -0.183 0.000 1.040 1093 V CA 1.767 63.904 62.300 -0.271 0.000 1.149 1093 V CB 0.130 31.808 31.823 -0.241 0.000 0.914 1093 V HN 1.549 nan 8.190 nan 0.000 0.487 1094 G N 3.757 112.457 108.800 -0.167 0.000 2.238 1094 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 1094 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 1094 G C 0.160 175.021 174.900 -0.065 0.000 0.996 1094 G CA -0.026 45.017 45.100 -0.096 0.000 0.632 1094 G HN 0.519 nan 8.290 nan 0.000 0.503 1095 M N 2.453 122.001 119.600 -0.087 0.000 2.240 1095 M HA 0.397 4.877 4.480 -0.000 0.000 0.333 1095 M C 1.472 177.809 176.300 0.061 0.000 1.110 1095 M CA 0.765 56.047 55.300 -0.029 0.000 1.173 1095 M CB 0.626 33.196 32.600 -0.050 0.000 1.458 1095 M HN 0.455 nan 8.290 nan 0.000 0.458 1096 T N -1.315 113.290 114.554 0.086 0.000 2.816 1096 T HA 0.248 4.598 4.350 -0.000 0.000 0.282 1096 T C 0.998 175.821 174.700 0.204 0.000 0.993 1096 T CA -0.790 61.389 62.100 0.130 0.000 0.994 1096 T CB 1.190 70.093 68.868 0.058 0.000 1.025 1096 T HN 0.788 nan 8.240 nan 0.000 0.529 1097 R N 0.350 120.921 120.500 0.118 0.000 2.091 1097 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 1097 R C 2.427 178.749 176.300 0.036 0.000 1.136 1097 R CA 1.582 57.669 56.100 -0.022 0.000 0.959 1097 R CB -1.074 29.013 30.300 -0.355 0.000 0.856 1097 R HN 0.831 nan 8.270 nan 0.000 0.437 1098 A N 0.925 123.756 122.820 0.019 0.000 1.883 1098 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 1098 A C 2.096 179.702 177.584 0.037 0.000 1.186 1098 A CA 1.603 53.653 52.037 0.021 0.000 0.624 1098 A CB -0.569 18.438 19.000 0.012 0.000 0.822 1098 A HN 0.519 nan 8.150 nan 0.000 0.444 1099 Q N -0.635 119.192 119.800 0.044 0.000 2.084 1099 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 1099 Q C 2.171 178.194 176.000 0.038 0.000 0.978 1099 Q CA 1.631 57.453 55.803 0.032 0.000 0.844 1099 Q CB -0.355 28.395 28.738 0.020 0.000 0.898 1099 Q HN 0.505 nan 8.270 nan 0.000 0.426 1100 V N 1.109 121.072 119.914 0.082 0.000 2.295 1100 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 1100 V C 2.176 178.318 176.094 0.080 0.000 1.049 1100 V CA 1.572 63.925 62.300 0.088 0.000 1.024 1100 V CB -0.494 31.468 31.823 0.231 0.000 0.648 1100 V HN 0.373 nan 8.190 nan 0.000 0.447 1101 L N 0.086 121.361 121.223 0.086 0.000 2.131 1101 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 1101 L C 2.636 179.536 176.870 0.050 0.000 1.092 1101 L CA 1.469 56.351 54.840 0.069 0.000 0.759 1101 L CB -0.778 41.314 42.059 0.054 0.000 0.903 1101 L HN 0.381 nan 8.230 nan 0.000 0.435 1102 A N -0.715 122.127 122.820 0.037 0.000 2.067 1102 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 1102 A C 2.289 179.887 177.584 0.024 0.000 1.158 1102 A CA 1.919 53.972 52.037 0.027 0.000 0.661 1102 A CB -0.521 18.491 19.000 0.019 0.000 0.801 1102 A HN 0.373 nan 8.150 nan 0.000 0.452 1103 T N -0.813 113.754 114.554 0.022 0.000 2.939 1103 T HA 0.002 4.352 4.350 -0.000 0.000 0.254 1103 T C 1.797 176.515 174.700 0.029 0.000 1.041 1103 T CA 1.538 63.645 62.100 0.011 0.000 1.142 1103 T CB -0.174 68.684 68.868 -0.017 0.000 0.874 1103 T HN 0.589 nan 8.240 nan 0.000 0.452 1104 V N -1.209 118.733 119.914 0.047 0.000 3.650 1104 V HA 0.643 4.763 4.120 -0.000 0.000 0.271 1104 V C 0.795 176.936 176.094 0.077 0.000 1.281 1104 V CA 0.332 62.675 62.300 0.072 0.000 1.120 1104 V CB -0.750 31.131 31.823 0.096 0.000 0.856 1104 V HN 0.548 nan 8.190 nan 0.000 0.443 1105 G N 0.427 109.266 108.800 0.065 0.000 3.055 1105 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.685 1105 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.685 1105 G C -0.245 174.693 174.900 0.064 0.000 1.212 1105 G CA -0.019 45.118 45.100 0.062 0.000 0.822 1105 G HN 0.097 nan 8.290 nan 0.000 0.610 1106 Q N 0.532 120.363 119.800 0.052 0.000 2.297 1106 Q HA -0.046 4.294 4.340 -0.000 0.000 0.208 1106 Q C 2.153 178.185 176.000 0.054 0.000 0.981 1106 Q CA 1.938 57.771 55.803 0.049 0.000 0.876 1106 Q CB 0.050 28.810 28.738 0.037 0.000 0.921 1106 Q HN 1.270 nan 8.270 nan 0.000 0.446 1107 G N -0.834 108.000 108.800 0.058 0.000 3.774 1107 G HA2 0.156 4.116 3.960 -0.000 0.000 0.287 1107 G HA3 0.156 4.116 3.960 -0.000 0.000 0.287 1107 G C 0.809 175.758 174.900 0.081 0.000 1.030 1107 G CA -0.204 44.931 45.100 0.058 0.000 0.824 1107 G HN 0.119 nan 8.290 nan 0.000 0.518 1108 S N -0.303 115.459 115.700 0.104 0.000 2.528 1108 S HA 0.109 4.579 4.470 -0.000 0.000 0.219 1108 S C 0.790 175.507 174.600 0.195 0.000 0.985 1108 S CA -0.007 58.283 58.200 0.149 0.000 0.914 1108 S CB 0.097 63.378 63.200 0.135 0.000 0.776 1108 S HN 0.473 nan 8.310 nan 0.000 0.526 1109 c N 1.496 120.192 118.600 0.160 0.000 2.719 1109 c HA 0.844 5.413 4.570 -0.000 0.000 0.327 1109 c C 0.432 174.625 174.090 0.171 0.000 1.238 1109 c CA -1.059 55.377 56.329 0.177 0.000 1.727 1109 c CB 1.441 44.047 42.510 0.159 0.000 2.256 1109 c HN 0.459 nan 8.230 nan 0.000 0.489 1110 T N -1.918 112.759 114.554 0.204 0.000 2.906 1110 T HA 0.563 4.913 4.350 -0.000 0.000 0.295 1110 T C -0.667 174.152 174.700 0.199 0.000 1.075 1110 T CA -0.327 61.872 62.100 0.165 0.000 1.005 1110 T CB 1.219 70.164 68.868 0.128 0.000 1.136 1110 T HN 0.570 nan 8.240 nan 0.000 0.498 1111 T N 2.900 117.576 114.554 0.203 0.000 2.737 1111 T HA 0.114 4.464 4.350 -0.000 0.000 0.296 1111 T C 0.185 175.062 174.700 0.294 0.000 0.922 1111 T CA -0.522 61.740 62.100 0.270 0.000 1.079 1111 T CB 0.321 69.370 68.868 0.302 0.000 0.892 1111 T HN 0.672 nan 8.240 nan 0.000 0.514 1112 W N 4.290 125.662 121.300 0.121 0.000 2.444 1112 W HA 0.125 4.785 4.660 -0.000 0.000 0.308 1112 W C 0.632 177.195 176.519 0.073 0.000 1.183 1112 W CA 0.615 57.987 57.345 0.046 0.000 1.340 1112 W CB -0.405 29.079 29.460 0.040 0.000 1.138 1112 W HN 0.610 nan 8.180 nan 0.000 0.510 1113 S N -0.182 115.733 115.700 0.358 0.000 2.536 1113 S HA 0.525 4.995 4.470 -0.000 0.000 0.271 1113 S C -1.317 173.440 174.600 0.261 0.000 1.134 1113 S CA -0.848 57.495 58.200 0.237 0.000 0.897 1113 S CB 2.709 65.924 63.200 0.026 0.000 1.094 1113 S HN 0.158 nan 8.310 nan 0.000 0.473 1114 E N 1.528 121.918 120.200 0.316 0.000 2.281 1114 E HA 0.449 4.799 4.350 -0.000 0.000 0.266 1114 E C -2.129 174.672 176.600 0.335 0.000 0.893 1114 E CA -0.644 55.928 56.400 0.286 0.000 0.798 1114 E CB 1.590 31.558 29.700 0.447 0.000 1.245 1114 E HN 0.780 nan 8.360 nan 0.000 0.410 1115 Y N 4.147 124.382 120.300 -0.108 0.000 2.442 1115 Y HA 0.442 4.992 4.550 -0.000 0.000 0.344 1115 Y C -1.826 173.856 175.900 -0.364 0.000 0.976 1115 Y CA -0.946 57.107 58.100 -0.077 0.000 1.040 1115 Y CB 1.354 39.821 38.460 0.012 0.000 1.228 1115 Y HN 0.496 nan 8.280 nan 0.000 0.451 1116 Y N 7.548 127.720 120.300 -0.214 0.000 2.712 1116 Y HA 0.296 4.845 4.550 -0.000 0.000 0.328 1116 Y C -1.870 173.691 175.900 -0.565 0.000 0.995 1116 Y CA -2.417 55.479 58.100 -0.341 0.000 1.283 1116 Y CB 0.951 39.351 38.460 -0.100 0.000 1.092 1116 Y HN 0.514 nan 8.280 nan 0.000 0.519 1117 P HA -0.109 nan 4.420 nan 0.000 0.226 1117 P C 0.753 177.986 177.300 -0.112 0.000 1.153 1117 P CA 1.157 63.914 63.100 -0.572 0.000 0.777 1117 P CB 0.511 31.930 31.700 -0.468 0.000 0.794 1118 A N -1.819 120.975 122.820 -0.042 0.000 2.564 1118 A HA 0.169 4.489 4.320 -0.000 0.000 0.279 1118 A C 0.242 177.865 177.584 0.065 0.000 1.232 1118 A CA -0.655 51.396 52.037 0.023 0.000 0.950 1118 A CB -0.950 18.047 19.000 -0.006 0.000 1.138 1118 A HN 0.037 nan 8.150 nan 0.000 0.526 1119 Y N 2.186 122.493 120.300 0.011 0.000 2.987 1119 Y HA 0.031 4.581 4.550 -0.000 0.000 0.339 1119 Y C -0.586 175.318 175.900 0.006 0.000 1.272 1119 Y CA -0.139 57.961 58.100 0.001 0.000 1.562 1119 Y CB 0.706 39.195 38.460 0.049 0.000 1.253 1119 Y HN 0.279 nan 8.280 nan 0.000 0.604 1120 P HA -0.097 nan 4.420 nan 0.000 0.230 1120 P C 0.189 177.141 177.300 -0.580 0.000 1.158 1120 P CA 0.655 63.100 63.100 -1.092 0.000 0.769 1120 P CB 0.096 31.373 31.700 -0.706 0.000 0.807 1121 S N 0.663 116.200 115.700 -0.273 0.000 2.562 1121 S HA 0.147 4.617 4.470 -0.000 0.000 0.281 1121 S C 1.339 175.883 174.600 -0.094 0.000 1.333 1121 S CA 0.182 58.288 58.200 -0.157 0.000 1.052 1121 S CB 0.274 63.427 63.200 -0.077 0.000 0.884 1121 S HN 0.289 nan 8.310 nan 0.000 0.506 1122 T N 1.893 116.414 114.554 -0.055 0.000 3.086 1122 T HA 0.434 4.784 4.350 -0.000 0.000 0.250 1122 T C 0.570 175.335 174.700 0.108 0.000 1.074 1122 T CA 0.131 62.297 62.100 0.110 0.000 0.988 1122 T CB -0.182 68.718 68.868 0.053 0.000 0.988 1122 T HN 0.763 nan 8.240 nan 0.000 0.530 1123 A N 0.692 123.529 122.820 0.028 0.000 2.477 1123 A HA 0.558 4.878 4.320 -0.000 0.000 0.246 1123 A C 1.655 179.232 177.584 -0.011 0.000 1.078 1123 A CA 0.191 52.232 52.037 0.006 0.000 0.770 1123 A CB -0.960 18.035 19.000 -0.008 0.000 1.011 1123 A HN 1.433 nan 8.150 nan 0.000 0.494 1124 G N 0.862 109.648 108.800 -0.023 0.000 2.159 1124 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.256 1124 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.256 1124 G C 0.501 175.337 174.900 -0.107 0.000 0.977 1124 G CA 0.216 45.287 45.100 -0.049 0.000 0.652 1124 G HN 2.098 nan 8.290 nan 0.000 0.531 1125 V N 2.392 122.227 119.914 -0.132 0.000 2.617 1125 V HA 0.498 4.618 4.120 -0.000 0.000 0.304 1125 V C 0.966 176.950 176.094 -0.184 0.000 1.040 1125 V CA 1.380 63.492 62.300 -0.314 0.000 1.149 1125 V CB 0.732 32.311 31.823 -0.405 0.000 0.914 1125 V HN 1.150 nan 8.190 nan 0.000 0.487 1126 T N 5.900 120.352 114.554 -0.169 0.000 2.823 1126 T HA 0.682 5.032 4.350 -0.000 0.000 0.279 1126 T C -0.746 173.982 174.700 0.047 0.000 0.998 1126 T CA -0.739 61.373 62.100 0.021 0.000 0.994 1126 T CB 1.591 70.522 68.868 0.105 0.000 0.960 1126 T HN 0.928 nan 8.240 nan 0.000 0.448 1127 L N 1.643 122.966 121.223 0.166 0.000 2.464 1127 L HA 0.713 5.053 4.340 -0.000 0.000 0.266 1127 L C -0.961 176.148 176.870 0.397 0.000 0.965 1127 L CA -0.331 54.632 54.840 0.204 0.000 0.833 1127 L CB 2.304 44.408 42.059 0.075 0.000 1.296 1127 L HN 0.793 nan 8.230 nan 0.000 0.405 1128 S N 5.099 121.027 115.700 0.380 0.000 2.454 1128 S HA 0.698 5.168 4.470 -0.000 0.000 0.306 1128 S C -0.688 174.244 174.600 0.552 0.000 1.100 1128 S CA -0.512 58.009 58.200 0.535 0.000 1.087 1128 S CB 1.209 64.652 63.200 0.406 0.000 1.019 1128 S HN 0.498 nan 8.310 nan 0.000 0.480 1129 L N 2.267 123.869 121.223 0.630 0.000 2.325 1129 L HA 0.561 4.901 4.340 -0.000 0.000 0.278 1129 L C -0.075 177.100 176.870 0.508 0.000 1.023 1129 L CA -0.571 54.564 54.840 0.492 0.000 0.811 1129 L CB 1.931 44.242 42.059 0.420 0.000 1.249 1129 L HN 0.487 nan 8.230 nan 0.000 0.431 1130 S N 1.197 117.080 115.700 0.305 0.000 2.474 1130 S HA 0.483 4.953 4.470 -0.000 0.000 0.321 1130 S C -0.679 173.748 174.600 -0.288 0.000 1.080 1130 S CA -0.568 57.640 58.200 0.014 0.000 1.106 1130 S CB 0.833 63.964 63.200 -0.114 0.000 0.984 1130 S HN 0.541 nan 8.310 nan 0.000 0.464 1131 c N 3.641 121.997 118.600 -0.407 0.000 2.493 1131 c HA 0.820 5.389 4.570 -0.000 0.000 0.326 1131 c C -0.635 173.078 174.090 -0.628 0.000 1.200 1131 c CA -0.955 55.178 56.329 -0.326 0.000 1.739 1131 c CB -0.038 42.487 42.510 0.025 0.000 2.300 1131 c HN 0.801 nan 8.230 nan 0.000 0.500 1132 F N 0.631 120.662 119.950 0.135 0.000 2.603 1132 F HA 0.518 5.044 4.527 -0.000 0.000 0.317 1132 F C 0.221 176.085 175.800 0.106 0.000 1.066 1132 F CA -0.999 57.078 58.000 0.127 0.000 0.941 1132 F CB 0.826 39.911 39.000 0.143 0.000 1.291 1132 F HN 0.608 nan 8.300 nan 0.000 0.472 1133 D N -0.305 120.262 120.400 0.278 0.000 2.447 1133 D HA 0.146 4.786 4.640 -0.000 0.000 0.265 1133 D C 1.259 177.660 176.300 0.169 0.000 1.250 1133 D CA -0.571 53.538 54.000 0.181 0.000 1.046 1133 D CB 0.160 41.038 40.800 0.130 0.000 1.095 1133 D HN 0.363 nan 8.370 nan 0.000 0.555 1134 V N -0.448 119.536 119.914 0.116 0.000 2.363 1134 V HA -0.257 3.863 4.120 -0.000 0.000 0.254 1134 V C 0.427 176.573 176.094 0.087 0.000 1.074 1134 V CA 2.600 64.954 62.300 0.090 0.000 1.069 1134 V CB -0.434 31.428 31.823 0.065 0.000 0.659 1134 V HN 0.578 nan 8.190 nan 0.000 0.455 1135 D N -1.577 118.877 120.400 0.090 0.000 2.535 1135 D HA 0.217 4.857 4.640 -0.000 0.000 0.229 1135 D C 1.611 177.963 176.300 0.086 0.000 1.238 1135 D CA 0.782 54.824 54.000 0.070 0.000 0.824 1135 D CB 0.679 41.506 40.800 0.044 0.000 1.045 1135 D HN 0.522 nan 8.370 nan 0.000 0.500 1136 G N 0.509 109.406 108.800 0.161 0.000 2.408 1136 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 1136 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 1136 G C 0.607 175.620 174.900 0.188 0.000 1.150 1136 G CA 0.339 45.580 45.100 0.235 0.000 0.776 1136 G HN 0.246 nan 8.290 nan 0.000 0.542 1137 Y N 1.407 121.621 120.300 -0.143 0.000 2.442 1137 Y HA 0.469 5.019 4.550 -0.001 0.000 0.330 1137 Y C -0.066 175.668 175.900 -0.276 0.000 1.129 1137 Y CA -0.700 57.072 58.100 -0.546 0.000 1.365 1137 Y CB 1.043 38.970 38.460 -0.888 0.000 1.233 1137 Y HN -0.005 nan 8.280 nan 0.000 0.529 1138 S N 3.538 118.624 115.700 -1.024 0.000 2.720 1138 S HA 0.288 4.758 4.470 -0.000 0.000 0.278 1138 S C 0.361 174.430 174.600 -0.886 0.000 1.172 1138 S CA -0.139 57.627 58.200 -0.724 0.000 1.019 1138 S CB 0.567 63.562 63.200 -0.342 0.000 1.049 1138 S HN 0.862 nan 8.310 nan 0.000 0.483 1139 S N 3.024 118.305 115.700 -0.698 0.000 2.395 1139 S HA -0.093 4.377 4.470 -0.000 0.000 0.225 1139 S C 1.744 176.346 174.600 0.003 0.000 1.027 1139 S CA 1.511 59.526 58.200 -0.308 0.000 0.965 1139 S CB -0.886 62.331 63.200 0.029 0.000 0.812 1139 S HN 0.901 nan 8.310 nan 0.000 0.482 1140 T N -1.744 112.761 114.554 -0.082 0.000 3.037 1140 T HA 0.443 4.792 4.350 -0.000 0.000 0.252 1140 T C 1.293 175.944 174.700 -0.081 0.000 1.073 1140 T CA 0.400 62.470 62.100 -0.049 0.000 1.091 1140 T CB -0.250 68.521 68.868 -0.160 0.000 0.935 1140 T HN 0.456 nan 8.240 nan 0.000 0.488 1141 G N 1.460 110.183 108.800 -0.129 0.000 3.182 1141 G HA2 0.677 4.637 3.960 -0.000 0.000 0.167 1141 G HA3 0.677 4.637 3.960 -0.000 0.000 0.167 1141 G C -0.503 174.326 174.900 -0.118 0.000 1.537 1141 G CA -0.388 44.644 45.100 -0.113 0.000 1.046 1141 G HN 0.732 nan 8.290 nan 0.000 0.580 1142 A N -1.372 121.380 122.820 -0.113 0.000 2.401 1142 A HA 0.781 5.100 4.320 -0.000 0.000 0.310 1142 A C 0.142 177.666 177.584 -0.099 0.000 1.075 1142 A CA 0.100 52.073 52.037 -0.107 0.000 0.746 1142 A CB 1.240 20.190 19.000 -0.084 0.000 1.277 1142 A HN 1.773 nan 8.150 nan 0.000 0.425 1143 A N 1.467 124.238 122.820 -0.082 0.000 2.546 1143 A HA 0.466 4.786 4.320 -0.000 0.000 0.243 1143 A C 0.333 177.934 177.584 0.028 0.000 1.063 1143 A CA 0.356 52.403 52.037 0.017 0.000 0.757 1143 A CB -0.220 18.831 19.000 0.086 0.000 0.991 1143 A HN 0.694 nan 8.150 nan 0.000 0.503 1144 R N 1.868 122.412 120.500 0.074 0.000 2.443 1144 R HA 0.508 4.848 4.340 -0.000 0.000 0.287 1144 R C 0.080 176.448 176.300 0.114 0.000 1.425 1144 R CA 0.357 56.499 56.100 0.070 0.000 1.300 1144 R CB 1.176 31.496 30.300 0.033 0.000 1.129 1144 R HN 1.648 nan 8.270 nan 0.000 0.577 1145 G N 1.336 110.219 108.800 0.138 0.000 2.788 1145 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.301 1145 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.301 1145 G C -0.460 174.548 174.900 0.180 0.000 1.000 1145 G CA -0.155 45.027 45.100 0.137 0.000 1.267 1145 G HN 0.615 nan 8.290 nan 0.000 0.578 1146 S N -0.394 115.405 115.700 0.166 0.000 2.656 1146 S HA 1.083 5.552 4.470 -0.000 0.000 0.273 1146 S C -0.169 174.532 174.600 0.167 0.000 1.168 1146 S CA 0.087 58.343 58.200 0.094 0.000 0.817 1146 S CB 2.118 65.336 63.200 0.030 0.000 1.146 1146 S HN 2.412 nan 8.310 nan 0.000 0.475 1147 A N 0.290 123.185 122.820 0.126 0.000 2.594 1147 A HA 0.787 5.106 4.320 -0.000 0.000 0.291 1147 A C -1.501 176.371 177.584 0.479 0.000 1.105 1147 A CA -0.649 51.562 52.037 0.290 0.000 0.694 1147 A CB 1.217 20.346 19.000 0.215 0.000 1.291 1147 A HN 1.118 nan 8.150 nan 0.000 0.410 1148 H N 1.025 120.413 119.070 0.529 0.000 2.589 1148 H HA 0.679 5.235 4.556 -0.000 0.000 0.335 1148 H C -1.783 173.853 175.328 0.514 0.000 1.019 1148 H CA -0.734 55.701 56.048 0.645 0.000 1.213 1148 H CB 0.791 31.096 29.762 0.907 0.000 1.472 1148 H HN 0.527 nan 8.280 nan 0.000 0.508 1149 L N 6.124 127.618 121.223 0.452 0.000 2.349 1149 L HA 0.338 4.678 4.340 -0.000 0.000 0.278 1149 L C -1.255 175.694 176.870 0.131 0.000 0.996 1149 L CA -0.960 53.879 54.840 -0.003 0.000 0.825 1149 L CB 1.226 43.300 42.059 0.025 0.000 1.243 1149 L HN 0.602 nan 8.230 nan 0.000 0.412 1150 W N 2.685 123.795 121.300 -0.316 0.000 2.666 1150 W HA 0.839 5.499 4.660 -0.000 0.000 0.334 1150 W C -1.604 174.770 176.519 -0.242 0.000 1.051 1150 W CA -0.850 56.428 57.345 -0.112 0.000 1.224 1150 W CB 0.604 29.962 29.460 -0.170 0.000 1.405 1150 W HN 0.045 nan 8.180 nan 0.000 0.513 1151 F N 1.074 121.122 119.950 0.163 0.000 2.611 1151 F HA 0.772 5.299 4.527 -0.000 0.000 0.324 1151 F C 0.021 175.870 175.800 0.081 0.000 1.061 1151 F CA -1.592 56.446 58.000 0.063 0.000 0.954 1151 F CB 2.295 41.311 39.000 0.027 0.000 1.301 1151 F HN 0.232 nan 8.300 nan 0.000 0.482 1152 T N 0.869 115.570 114.554 0.246 0.000 2.937 1152 T HA 0.287 4.637 4.350 -0.000 0.000 0.297 1152 T C -1.118 173.642 174.700 0.099 0.000 0.991 1152 T CA -0.683 61.497 62.100 0.134 0.000 0.990 1152 T CB 1.048 69.976 68.868 0.099 0.000 0.991 1152 T HN 0.624 nan 8.240 nan 0.000 0.440 1153 D N 2.321 122.751 120.400 0.050 0.000 2.751 1153 D HA -0.197 4.442 4.640 -0.000 0.000 0.233 1153 D C 1.255 177.585 176.300 0.050 0.000 1.149 1153 D CA 1.954 55.973 54.000 0.032 0.000 0.682 1153 D CB -1.128 39.687 40.800 0.026 0.000 1.068 1153 D HN 1.286 nan 8.370 nan 0.000 0.429 1154 G N -1.989 106.849 108.800 0.064 0.000 2.168 1154 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.263 1154 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.263 1154 G C 0.353 175.376 174.900 0.206 0.000 0.977 1154 G CA 0.453 45.584 45.100 0.051 0.000 0.659 1154 G HN 0.603 nan 8.290 nan 0.000 0.533 1155 V N 1.081 121.147 119.914 0.253 0.000 2.459 1155 V HA 0.637 4.756 4.120 -0.000 0.000 0.295 1155 V C 0.583 176.761 176.094 0.140 0.000 1.029 1155 V CA -0.978 61.446 62.300 0.206 0.000 0.874 1155 V CB 1.759 33.625 31.823 0.071 0.000 0.985 1155 V HN 0.412 nan 8.190 nan 0.000 0.438 1156 L N 4.758 125.920 121.223 -0.103 0.000 2.513 1156 L HA 0.170 4.509 4.340 -0.000 0.000 0.272 1156 L C 1.204 177.800 176.870 -0.458 0.000 1.187 1156 L CA 0.981 55.416 54.840 -0.675 0.000 0.895 1156 L CB 0.651 42.253 42.059 -0.761 0.000 1.147 1156 L HN 0.676 nan 8.230 nan 0.000 0.483 1157 Q N 3.959 123.443 119.800 -0.526 0.000 2.396 1157 Q HA 0.416 4.755 4.340 -0.000 0.000 0.220 1157 Q C 0.536 176.194 176.000 -0.570 0.000 0.900 1157 Q CA 0.731 56.331 55.803 -0.339 0.000 0.925 1157 Q CB 0.987 29.719 28.738 -0.011 0.000 1.065 1157 Q HN 0.850 nan 8.270 nan 0.000 0.535 1158 G N 0.655 108.656 108.800 -1.332 0.000 2.506 1158 G HA2 0.528 4.488 3.960 -0.000 0.000 0.292 1158 G HA3 0.528 4.488 3.960 -0.000 0.000 0.292 1158 G C -1.712 171.931 174.900 -2.095 0.000 1.425 1158 G CA -0.715 43.461 45.100 -1.540 0.000 0.788 1158 G HN 0.031 nan 8.290 nan 0.000 0.490 1159 K N -0.999 118.594 120.400 -1.346 0.000 2.556 1159 K HA 0.847 5.167 4.320 -0.000 0.000 0.274 1159 K C -1.149 175.415 176.600 -0.060 0.000 0.966 1159 K CA -1.162 54.693 56.287 -0.720 0.000 0.865 1159 K CB 2.840 35.001 32.500 -0.565 0.000 1.444 1159 K HN 0.759 nan 8.250 nan 0.000 0.433 1160 R N 1.197 121.848 120.500 0.251 0.000 2.594 1160 R HA 0.151 4.491 4.340 -0.000 0.000 0.265 1160 R C -1.886 174.148 176.300 -0.444 0.000 1.070 1160 R CA -0.389 55.711 56.100 0.000 0.000 0.909 1160 R CB 2.110 32.377 30.300 -0.055 0.000 1.243 1160 R HN 0.934 nan 8.270 nan 0.000 0.455 1161 Q N 2.495 121.711 119.800 -0.975 0.000 2.484 1161 Q HA 0.589 4.928 4.340 -0.000 0.000 0.285 1161 Q C -1.612 173.861 176.000 -0.878 0.000 1.097 1161 Q CA -0.659 54.552 55.803 -0.987 0.000 0.802 1161 Q CB 1.880 29.728 28.738 -1.484 0.000 1.444 1161 Q HN 0.483 nan 8.270 nan 0.000 0.429 1162 W N 1.280 122.476 121.300 -0.173 0.000 2.830 1162 W HA 0.290 4.950 4.660 -0.000 0.000 0.335 1162 W C -0.760 175.714 176.519 -0.075 0.000 1.043 1162 W CA -0.498 56.796 57.345 -0.086 0.000 1.239 1162 W CB 1.705 31.150 29.460 -0.025 0.000 1.378 1162 W HN 0.918 nan 8.180 nan 0.000 0.456 1163 D N 1.570 122.044 120.400 0.123 0.000 2.911 1163 D HA -0.201 4.439 4.640 -0.000 0.000 0.227 1163 D C -0.054 176.270 176.300 0.040 0.000 1.164 1163 D CA 1.092 55.138 54.000 0.076 0.000 0.782 1163 D CB -1.338 39.524 40.800 0.102 0.000 1.094 1163 D HN 0.258 nan 8.370 nan 0.000 0.425 1164 L N 0.095 121.311 121.223 -0.013 0.000 2.395 1164 L HA 0.434 4.774 4.340 -0.000 0.000 0.269 1164 L C 1.209 178.078 176.870 -0.001 0.000 1.133 1164 L CA -0.512 54.321 54.840 -0.011 0.000 0.812 1164 L CB 1.347 43.364 42.059 -0.069 0.000 1.125 1164 L HN -0.047 nan 8.230 nan 0.000 0.452 1165 V N 0.000 119.927 119.914 0.022 0.000 2.409 1165 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1165 V CA 0.000 62.314 62.300 0.023 0.000 1.235 1165 V CB 0.000 31.839 31.823 0.026 0.000 1.184 1165 V HN 0.000 nan 8.190 nan 0.000 0.556