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 2vw9_1_A DATA FIRST_RESID 1001 DATA SEQUENCE MFNKVIMVGR LTRNVELKYL PSGSAAATIG LATSRRFKKQ DGTLGEEVCF DATA SEQUENCE IDARLFGRTA EIANQYLSKG SSVLIEGRLT YESWMDQTGK KNSRHTITAD DATA SEQUENCE SLQFMDKKS 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.371 176.300 0.118 0.000 1.140 1001 M CA 0.000 55.354 55.300 0.090 0.000 0.988 1001 M CB 0.000 32.637 32.600 0.061 0.000 1.302 1002 F N 3.823 123.779 119.950 0.010 0.000 2.578 1002 F HA 0.318 4.847 4.527 0.003 0.000 0.381 1002 F C 0.082 175.889 175.800 0.013 0.000 1.069 1002 F CA 0.738 58.743 58.000 0.010 0.000 1.231 1002 F CB 0.313 39.317 39.000 0.006 0.000 1.086 1002 F HN 0.527 nan 8.300 nan 0.000 0.564 1003 N N 5.290 123.645 118.700 -0.575 0.000 2.581 1003 N HA 0.210 4.951 4.740 0.001 0.000 0.279 1003 N C -1.889 173.289 175.510 -0.552 0.000 1.124 1003 N CA -0.616 52.199 53.050 -0.391 0.000 0.833 1003 N CB 0.979 39.364 38.487 -0.170 0.000 1.338 1003 N HN 0.567 nan 8.380 nan 0.000 0.533 1004 K N 2.047 122.139 120.400 -0.515 0.000 2.443 1004 K HA 0.639 4.960 4.320 0.001 0.000 0.252 1004 K C -1.843 174.675 176.600 -0.137 0.000 0.933 1004 K CA -0.542 55.527 56.287 -0.364 0.000 0.792 1004 K CB 1.552 33.791 32.500 -0.434 0.000 1.185 1004 K HN 0.066 nan 8.250 nan 0.000 0.425 1005 V N 5.642 125.503 119.914 -0.088 0.000 2.656 1005 V HA 0.594 4.714 4.120 0.001 0.000 0.307 1005 V C -0.729 175.352 176.094 -0.021 0.000 1.051 1005 V CA -0.710 61.566 62.300 -0.039 0.000 0.893 1005 V CB 1.657 33.462 31.823 -0.029 0.000 0.999 1005 V HN 0.746 nan 8.190 nan 0.000 0.426 1006 I N 5.361 125.927 120.570 -0.008 0.000 2.497 1006 I HA 0.522 4.693 4.170 0.001 0.000 0.284 1006 I C -0.687 175.429 176.117 -0.001 0.000 1.060 1006 I CA -0.074 61.225 61.300 -0.001 0.000 1.071 1006 I CB 1.640 39.645 38.000 0.009 0.000 1.216 1006 I HN 0.432 nan 8.210 nan 0.000 0.442 1007 M N 5.716 125.315 119.600 -0.001 0.000 2.457 1007 M HA 0.553 5.034 4.480 0.001 0.000 0.300 1007 M C -1.188 175.114 176.300 0.003 0.000 1.141 1007 M CA -0.871 54.428 55.300 -0.002 0.000 0.901 1007 M CB 3.173 35.770 32.600 -0.005 0.000 1.687 1007 M HN 0.123 nan 8.290 nan 0.000 0.449 1008 V N 1.844 121.760 119.914 0.002 0.000 2.435 1008 V HA 0.951 5.072 4.120 0.001 0.000 0.290 1008 V C 0.250 176.346 176.094 0.004 0.000 1.030 1008 V CA -0.165 62.141 62.300 0.009 0.000 0.881 1008 V CB 1.566 33.395 31.823 0.009 0.000 0.983 1008 V HN 1.045 nan 8.190 nan 0.000 0.445 1009 G N 4.620 113.428 108.800 0.013 0.000 2.663 1009 G HA2 0.675 4.636 3.960 0.001 0.000 0.299 1009 G HA3 0.675 4.636 3.960 0.001 0.000 0.299 1009 G C -1.470 173.444 174.900 0.023 0.000 1.372 1009 G CA -0.997 44.108 45.100 0.008 0.000 0.781 1009 G HN 0.713 nan 8.290 nan 0.000 0.491 1010 R N -0.137 120.378 120.500 0.026 0.000 2.740 1010 R HA 0.625 4.966 4.340 0.001 0.000 0.282 1010 R C -0.560 175.768 176.300 0.047 0.000 0.969 1010 R CA -0.922 55.199 56.100 0.035 0.000 0.918 1010 R CB 1.777 32.097 30.300 0.032 0.000 1.175 1010 R HN 0.400 nan 8.270 nan 0.000 0.464 1011 L N 2.406 123.653 121.223 0.040 0.000 2.490 1011 L HA 0.074 4.415 4.340 0.001 0.000 0.274 1011 L C 1.320 178.221 176.870 0.052 0.000 1.201 1011 L CA -0.001 54.863 54.840 0.041 0.000 0.869 1011 L CB 0.840 42.911 42.059 0.021 0.000 1.123 1011 L HN 0.945 nan 8.230 nan 0.000 0.484 1012 T N -0.432 114.161 114.554 0.065 0.000 3.065 1012 T HA 0.121 4.472 4.350 0.001 0.000 0.252 1012 T C 0.601 175.317 174.700 0.028 0.000 1.099 1012 T CA -0.167 61.974 62.100 0.069 0.000 1.063 1012 T CB 0.091 69.018 68.868 0.100 0.000 0.948 1012 T HN 0.779 nan 8.240 nan 0.000 0.506 1013 R N -0.295 120.215 120.500 0.016 0.000 2.766 1013 R HA 0.456 4.797 4.340 0.001 0.000 0.270 1013 R C -1.549 174.747 176.300 -0.006 0.000 1.035 1013 R CA -1.100 55.000 56.100 -0.000 0.000 0.911 1013 R CB 0.504 30.799 30.300 -0.009 0.000 1.243 1013 R HN -0.152 nan 8.270 nan 0.000 0.460 1014 N N 0.523 119.214 118.700 -0.014 0.000 2.508 1014 N HA 0.078 4.818 4.740 0.001 0.000 0.264 1014 N C -0.204 175.291 175.510 -0.025 0.000 1.216 1014 N CA -0.261 52.776 53.050 -0.021 0.000 0.943 1014 N CB 1.670 40.143 38.487 -0.024 0.000 1.113 1014 N HN 0.414 nan 8.380 nan 0.000 0.447 1015 V N 1.434 121.330 119.914 -0.030 0.000 2.585 1015 V HA 0.027 4.148 4.120 0.001 0.000 0.296 1015 V C 0.350 176.419 176.094 -0.042 0.000 1.035 1015 V CA -0.247 62.031 62.300 -0.036 0.000 1.084 1015 V CB 0.193 31.994 31.823 -0.037 0.000 0.953 1015 V HN 0.681 nan 8.190 nan 0.000 0.483 1016 E N 7.355 127.526 120.200 -0.048 0.000 2.035 1016 E HA 0.326 4.677 4.350 0.001 0.000 0.271 1016 E C -0.678 175.885 176.600 -0.062 0.000 0.953 1016 E CA -0.691 55.681 56.400 -0.047 0.000 0.777 1016 E CB 1.677 31.351 29.700 -0.044 0.000 1.104 1016 E HN 0.678 nan 8.360 nan 0.000 0.408 1017 L N 4.532 125.721 121.223 -0.057 0.000 2.276 1017 L HA 0.346 4.687 4.340 0.001 0.000 0.286 1017 L C -0.221 176.614 176.870 -0.058 0.000 1.061 1017 L CA -0.219 54.572 54.840 -0.081 0.000 0.807 1017 L CB 0.905 42.920 42.059 -0.074 0.000 1.177 1017 L HN 0.671 nan 8.230 nan 0.000 0.429 1018 K N 3.659 124.001 120.400 -0.097 0.000 2.466 1018 K HA 0.403 4.723 4.320 0.001 0.000 0.260 1018 K C -2.006 174.530 176.600 -0.108 0.000 1.011 1018 K CA -0.778 55.497 56.287 -0.020 0.000 0.871 1018 K CB 1.859 34.356 32.500 -0.005 0.000 1.404 1018 K HN 0.325 nan 8.250 nan 0.000 0.450 1019 Y N 0.289 120.595 120.300 0.009 0.000 2.409 1019 Y HA 0.365 4.916 4.550 0.002 0.000 0.339 1019 Y C -0.130 175.782 175.900 0.020 0.000 1.033 1019 Y CA -1.045 57.066 58.100 0.019 0.000 1.094 1019 Y CB 1.599 40.067 38.460 0.013 0.000 1.210 1019 Y HN 0.373 nan 8.280 nan 0.000 0.456 1020 L N 4.707 126.025 121.223 0.159 0.000 2.421 1020 L HA 0.368 4.708 4.340 0.001 0.000 0.263 1020 L C -1.389 175.540 176.870 0.098 0.000 1.122 1020 L CA -2.542 52.357 54.840 0.099 0.000 0.804 1020 L CB 0.718 42.822 42.059 0.075 0.000 1.150 1020 L HN 0.445 nan 8.230 nan 0.000 0.457 1021 P HA -0.196 nan 4.420 nan 0.000 0.217 1021 P C 1.502 178.827 177.300 0.041 0.000 1.148 1021 P CA 1.564 64.688 63.100 0.041 0.000 0.834 1021 P CB 0.242 31.956 31.700 0.022 0.000 0.783 1022 S N -2.216 113.510 115.700 0.043 0.000 2.481 1022 S HA 0.079 4.550 4.470 0.001 0.000 0.231 1022 S C 1.777 176.413 174.600 0.060 0.000 0.996 1022 S CA 1.237 59.459 58.200 0.037 0.000 0.942 1022 S CB -0.960 62.252 63.200 0.021 0.000 0.768 1022 S HN 0.310 nan 8.310 nan 0.000 0.520 1023 G N 0.066 108.931 108.800 0.108 0.000 2.278 1023 G HA2 -0.202 3.759 3.960 0.001 0.000 0.210 1023 G HA3 -0.202 3.759 3.960 0.001 0.000 0.210 1023 G C 0.183 175.254 174.900 0.286 0.000 1.000 1023 G CA -0.027 45.170 45.100 0.162 0.000 0.635 1023 G HN 0.645 nan 8.290 nan 0.000 0.495 1024 S N 1.432 117.235 115.700 0.170 0.000 2.549 1024 S HA 0.581 5.051 4.470 0.001 0.000 0.283 1024 S C 0.821 175.442 174.600 0.035 0.000 1.320 1024 S CA 0.344 58.616 58.200 0.120 0.000 1.058 1024 S CB 1.333 64.576 63.200 0.071 0.000 0.882 1024 S HN 1.503 nan 8.310 nan 0.000 0.498 1025 A N 2.236 124.973 122.820 -0.139 0.000 2.371 1025 A HA 0.691 5.012 4.320 0.001 0.000 0.257 1025 A C 0.252 177.759 177.584 -0.129 0.000 1.089 1025 A CA -0.220 51.549 52.037 -0.447 0.000 0.794 1025 A CB 0.180 18.895 19.000 -0.474 0.000 1.029 1025 A HN 1.122 nan 8.150 nan 0.000 0.488 1026 A N 0.137 122.853 122.820 -0.172 0.000 2.572 1026 A HA 0.895 5.216 4.320 0.001 0.000 0.295 1026 A C -0.460 177.004 177.584 -0.200 0.000 1.072 1026 A CA 0.071 52.037 52.037 -0.119 0.000 0.691 1026 A CB 1.337 20.349 19.000 0.020 0.000 1.291 1026 A HN 2.592 nan 8.150 nan 0.000 0.404 1027 A N 0.311 122.969 122.820 -0.269 0.000 2.604 1027 A HA 0.881 5.202 4.320 0.001 0.000 0.295 1027 A C -0.684 176.764 177.584 -0.227 0.000 1.067 1027 A CA -0.373 51.544 52.037 -0.200 0.000 0.683 1027 A CB 1.416 20.323 19.000 -0.156 0.000 1.281 1027 A HN 1.142 nan 8.150 nan 0.000 0.407 1028 T N 2.058 116.521 114.554 -0.153 0.000 2.881 1028 T HA 0.646 4.997 4.350 0.001 0.000 0.290 1028 T C -0.312 174.339 174.700 -0.082 0.000 1.000 1028 T CA -0.196 61.825 62.100 -0.133 0.000 0.978 1028 T CB 0.835 69.635 68.868 -0.113 0.000 0.997 1028 T HN 0.883 nan 8.240 nan 0.000 0.443 1029 I N -0.374 120.159 120.570 -0.062 0.000 2.603 1029 I HA 0.914 5.085 4.170 0.001 0.000 0.300 1029 I C 0.212 176.327 176.117 -0.003 0.000 1.017 1029 I CA -1.265 60.018 61.300 -0.028 0.000 1.098 1029 I CB 1.962 39.952 38.000 -0.016 0.000 1.279 1029 I HN 0.695 nan 8.210 nan 0.000 0.437 1030 G N 5.885 114.694 108.800 0.015 0.000 2.322 1030 G HA2 0.568 4.529 3.960 0.001 0.000 0.309 1030 G HA3 0.568 4.529 3.960 0.001 0.000 0.309 1030 G C -0.757 174.187 174.900 0.073 0.000 1.121 1030 G CA -0.391 44.738 45.100 0.048 0.000 0.886 1030 G HN 0.343 nan 8.290 nan 0.000 0.447 1031 L N 1.199 122.478 121.223 0.093 0.000 2.330 1031 L HA 0.831 5.172 4.340 0.001 0.000 0.271 1031 L C 0.262 177.203 176.870 0.119 0.000 1.013 1031 L CA -1.196 53.694 54.840 0.084 0.000 0.816 1031 L CB 1.710 43.796 42.059 0.045 0.000 1.287 1031 L HN 0.632 nan 8.230 nan 0.000 0.435 1032 A N 1.295 124.152 122.820 0.061 0.000 2.353 1032 A HA 0.774 5.095 4.320 0.001 0.000 0.299 1032 A C -0.607 176.915 177.584 -0.103 0.000 1.089 1032 A CA -0.353 51.648 52.037 -0.060 0.000 0.736 1032 A CB 1.036 20.065 19.000 0.049 0.000 1.195 1032 A HN 0.638 nan 8.150 nan 0.000 0.447 1033 T N 2.188 116.638 114.554 -0.173 0.000 2.812 1033 T HA 0.626 4.977 4.350 0.001 0.000 0.282 1033 T C 0.015 174.629 174.700 -0.143 0.000 0.990 1033 T CA -0.333 61.700 62.100 -0.111 0.000 0.960 1033 T CB 1.314 70.137 68.868 -0.075 0.000 0.948 1033 T HN 0.970 nan 8.240 nan 0.000 0.438 1034 S N 3.224 118.870 115.700 -0.091 0.000 2.537 1034 S HA 0.776 5.247 4.470 0.001 0.000 0.301 1034 S C -0.539 174.049 174.600 -0.020 0.000 1.092 1034 S CA -1.091 57.068 58.200 -0.070 0.000 1.048 1034 S CB 2.072 65.241 63.200 -0.052 0.000 1.053 1034 S HN 0.721 nan 8.310 nan 0.000 0.501 1035 R N 0.766 121.274 120.500 0.013 0.000 2.670 1035 R HA 0.624 4.965 4.340 0.001 0.000 0.289 1035 R C -1.291 175.096 176.300 0.144 0.000 0.965 1035 R CA -0.770 55.366 56.100 0.060 0.000 0.899 1035 R CB 1.248 31.572 30.300 0.041 0.000 1.173 1035 R HN 0.664 nan 8.270 nan 0.000 0.456 1036 R N 2.306 122.888 120.500 0.138 0.000 2.668 1036 R HA 0.550 4.891 4.340 0.001 0.000 0.279 1036 R C -1.290 175.160 176.300 0.251 0.000 0.976 1036 R CA -0.273 55.904 56.100 0.129 0.000 0.978 1036 R CB 1.190 31.506 30.300 0.026 0.000 1.133 1036 R HN 0.532 nan 8.270 nan 0.000 0.484 1037 F N -2.949 116.994 119.950 -0.011 0.000 2.688 1037 F HA 0.627 5.155 4.527 0.002 0.000 0.308 1037 F C -0.712 175.084 175.800 -0.006 0.000 1.117 1037 F CA -1.410 56.585 58.000 -0.009 0.000 0.976 1037 F CB 0.536 39.531 39.000 -0.010 0.000 1.291 1037 F HN 0.401 nan 8.300 nan 0.000 0.439 1038 K N 1.268 121.683 120.400 0.025 0.000 2.276 1038 K HA 0.742 5.063 4.320 0.001 0.000 0.283 1038 K C -0.228 176.379 176.600 0.013 0.000 1.044 1038 K CA -0.181 56.075 56.287 -0.052 0.000 0.944 1038 K CB -0.134 32.369 32.500 0.005 0.000 1.012 1038 K HN 1.284 nan 8.250 nan 0.000 0.472 1039 K N 1.469 121.824 120.400 -0.075 0.000 2.185 1039 K HA 0.168 4.488 4.320 0.001 0.000 0.271 1039 K C 0.996 177.615 176.600 0.031 0.000 1.013 1039 K CA 0.185 56.482 56.287 0.017 0.000 0.943 1039 K CB 0.749 33.228 32.500 -0.034 0.000 0.998 1039 K HN 0.896 nan 8.250 nan 0.000 0.468 1040 Q N 0.319 120.153 119.800 0.056 0.000 2.468 1040 Q HA -0.261 4.080 4.340 0.001 0.000 0.216 1040 Q C -0.093 175.919 176.000 0.019 0.000 0.991 1040 Q CA 2.634 58.460 55.803 0.039 0.000 0.900 1040 Q CB -0.109 28.654 28.738 0.041 0.000 0.930 1040 Q HN 0.829 nan 8.270 nan 0.000 0.473 1041 D N -0.683 119.723 120.400 0.010 0.000 2.297 1041 D HA 0.099 4.740 4.640 0.001 0.000 0.233 1041 D C 1.403 177.699 176.300 -0.006 0.000 1.056 1041 D CA 1.380 55.380 54.000 0.000 0.000 0.938 1041 D CB -0.465 40.331 40.800 -0.006 0.000 1.048 1041 D HN 0.339 nan 8.370 nan 0.000 0.442 1042 G N -1.005 107.784 108.800 -0.018 0.000 4.616 1042 G HA2 0.012 3.972 3.960 0.001 0.000 0.214 1042 G HA3 0.012 3.972 3.960 0.001 0.000 0.214 1042 G C -0.119 174.755 174.900 -0.043 0.000 0.653 1042 G CA -0.078 45.008 45.100 -0.023 0.000 0.816 1042 G HN 0.248 nan 8.290 nan 0.000 0.601 1043 T N 1.741 116.262 114.554 -0.055 0.000 2.926 1043 T HA 0.498 4.849 4.350 0.001 0.000 0.307 1043 T C 0.120 174.733 174.700 -0.144 0.000 1.059 1043 T CA 0.137 62.185 62.100 -0.086 0.000 1.122 1043 T CB 2.115 70.932 68.868 -0.085 0.000 0.972 1043 T HN 0.084 nan 8.240 nan 0.000 0.545 1044 L N 2.079 123.202 121.223 -0.166 0.000 2.295 1044 L HA 0.632 4.973 4.340 0.001 0.000 0.285 1044 L C 0.751 177.406 176.870 -0.358 0.000 1.035 1044 L CA -0.345 54.351 54.840 -0.240 0.000 0.806 1044 L CB 1.179 43.149 42.059 -0.149 0.000 1.214 1044 L HN 0.892 nan 8.230 nan 0.000 0.426 1045 G N 2.836 111.211 108.800 -0.709 0.000 3.075 1045 G HA2 0.658 4.619 3.960 0.001 0.000 0.253 1045 G HA3 0.658 4.619 3.960 0.001 0.000 0.253 1045 G C -1.344 173.249 174.900 -0.513 0.000 1.353 1045 G CA -0.307 44.324 45.100 -0.782 0.000 1.051 1045 G HN 0.657 nan 8.290 nan 0.000 0.553 1046 E N -1.150 118.978 120.200 -0.119 0.000 2.363 1046 E HA 0.482 4.832 4.350 0.001 0.000 0.281 1046 E C -1.719 175.078 176.600 0.328 0.000 0.953 1046 E CA -0.772 55.736 56.400 0.179 0.000 0.778 1046 E CB 2.054 31.783 29.700 0.050 0.000 1.220 1046 E HN 0.386 nan 8.360 nan 0.000 0.431 1047 E N 1.471 121.820 120.200 0.249 0.000 2.222 1047 E HA 0.506 4.857 4.350 0.001 0.000 0.267 1047 E C -1.163 175.426 176.600 -0.018 0.000 0.884 1047 E CA -1.220 55.237 56.400 0.095 0.000 0.764 1047 E CB 2.748 32.447 29.700 -0.002 0.000 1.169 1047 E HN 0.298 nan 8.360 nan 0.000 0.413 1048 V N 2.130 121.984 119.914 -0.099 0.000 2.409 1048 V HA 0.180 4.301 4.120 0.001 0.000 0.291 1048 V C -0.492 175.341 176.094 -0.436 0.000 1.020 1048 V CA -0.883 61.234 62.300 -0.305 0.000 0.848 1048 V CB 1.501 33.061 31.823 -0.438 0.000 0.990 1048 V HN 0.860 nan 8.190 nan 0.000 0.430 1049 C N 6.916 125.981 119.300 -0.392 0.000 2.285 1049 C HA 0.678 5.138 4.460 0.001 0.000 0.335 1049 C C -0.247 174.511 174.990 -0.387 0.000 1.267 1049 C CA -0.596 58.252 59.018 -0.283 0.000 1.762 1049 C CB -1.222 26.437 27.740 -0.135 0.000 2.365 1049 C HN 0.699 nan 8.230 nan 0.000 0.527 1050 F N 5.970 125.932 119.950 0.021 0.000 2.421 1050 F HA 0.753 5.278 4.527 -0.003 0.000 0.337 1050 F C 0.281 176.097 175.800 0.026 0.000 1.105 1050 F CA -0.519 57.495 58.000 0.022 0.000 1.049 1050 F CB 1.229 40.243 39.000 0.023 0.000 1.139 1050 F HN 0.486 nan 8.300 nan 0.000 0.479 1051 I N 2.075 122.762 120.570 0.195 0.000 2.785 1051 I HA 0.251 4.421 4.170 0.001 0.000 0.293 1051 I C -1.786 174.387 176.117 0.093 0.000 1.446 1051 I CA -0.512 60.863 61.300 0.124 0.000 1.028 1051 I CB 1.710 39.757 38.000 0.078 0.000 1.349 1051 I HN 0.391 nan 8.210 nan 0.000 0.438 1052 D N 5.440 125.884 120.400 0.073 0.000 2.210 1052 D HA 0.721 5.362 4.640 0.001 0.000 0.249 1052 D C -0.636 175.673 176.300 0.015 0.000 1.062 1052 D CA 0.066 54.088 54.000 0.035 0.000 0.891 1052 D CB 2.026 42.837 40.800 0.019 0.000 1.186 1052 D HN 0.614 nan 8.370 nan 0.000 0.432 1053 A N 2.425 125.236 122.820 -0.015 0.000 2.355 1053 A HA 0.627 4.948 4.320 0.001 0.000 0.317 1053 A C -0.369 177.151 177.584 -0.106 0.000 1.094 1053 A CA -0.873 51.142 52.037 -0.038 0.000 0.764 1053 A CB 1.129 20.113 19.000 -0.026 0.000 1.230 1053 A HN 0.295 nan 8.150 nan 0.000 0.448 1054 R N 1.453 121.864 120.500 -0.148 0.000 2.297 1054 R HA 0.604 4.945 4.340 0.001 0.000 0.308 1054 R C -1.169 174.849 176.300 -0.470 0.000 1.029 1054 R CA -0.627 55.267 56.100 -0.343 0.000 0.929 1054 R CB 0.774 30.878 30.300 -0.328 0.000 1.046 1054 R HN 0.486 nan 8.270 nan 0.000 0.461 1055 L N 3.350 124.189 121.223 -0.640 0.000 2.354 1055 L HA 0.619 4.959 4.340 0.001 0.000 0.269 1055 L C -0.545 175.860 176.870 -0.776 0.000 1.005 1055 L CA -0.787 53.759 54.840 -0.491 0.000 0.819 1055 L CB 0.962 42.879 42.059 -0.236 0.000 1.311 1055 L HN 0.415 nan 8.230 nan 0.000 0.423 1056 F N -0.401 119.528 119.950 -0.035 0.000 2.613 1056 F HA 0.710 5.236 4.527 -0.002 0.000 0.310 1056 F C 0.882 176.658 175.800 -0.040 0.000 1.085 1056 F CA -0.074 57.898 58.000 -0.046 0.000 0.945 1056 F CB 1.690 40.669 39.000 -0.035 0.000 1.298 1056 F HN 0.695 nan 8.300 nan 0.000 0.455 1057 G N 1.765 110.659 108.800 0.157 0.000 2.582 1057 G HA2 -0.386 3.574 3.960 0.001 0.000 0.288 1057 G HA3 -0.386 3.574 3.960 0.001 0.000 0.288 1057 G C 0.979 175.903 174.900 0.040 0.000 1.247 1057 G CA 0.744 45.891 45.100 0.078 0.000 0.972 1057 G HN 0.831 nan 8.290 nan 0.000 0.557 1058 R N -0.228 120.302 120.500 0.050 0.000 2.117 1058 R HA -0.027 4.314 4.340 0.001 0.000 0.243 1058 R C 2.937 179.269 176.300 0.054 0.000 1.143 1058 R CA 2.949 59.080 56.100 0.052 0.000 0.968 1058 R CB -1.071 29.261 30.300 0.054 0.000 0.863 1058 R HN 0.632 nan 8.270 nan 0.000 0.444 1059 T N -0.077 114.505 114.554 0.046 0.000 2.746 1059 T HA -0.124 4.227 4.350 0.001 0.000 0.267 1059 T C 1.802 176.519 174.700 0.027 0.000 1.039 1059 T CA 1.390 63.515 62.100 0.042 0.000 1.142 1059 T CB -0.472 68.413 68.868 0.028 0.000 0.866 1059 T HN 0.426 nan 8.240 nan 0.000 0.444 1060 A N 1.809 124.619 122.820 -0.017 0.000 1.902 1060 A HA -0.159 4.161 4.320 0.001 0.000 0.217 1060 A C 2.233 179.793 177.584 -0.040 0.000 1.181 1060 A CA 1.636 53.632 52.037 -0.068 0.000 0.623 1060 A CB -0.511 18.412 19.000 -0.128 0.000 0.818 1060 A HN 0.598 nan 8.150 nan 0.000 0.443 1061 E N -0.389 119.798 120.200 -0.022 0.000 2.107 1061 E HA -0.085 4.265 4.350 0.001 0.000 0.191 1061 E C 1.905 178.545 176.600 0.067 0.000 0.982 1061 E CA 0.956 57.356 56.400 -0.000 0.000 0.809 1061 E CB -0.286 29.422 29.700 0.013 0.000 0.756 1061 E HN 0.676 nan 8.360 nan 0.000 0.459 1062 I N 1.532 122.185 120.570 0.139 0.000 2.208 1062 I HA -0.308 3.863 4.170 0.001 0.000 0.245 1062 I C 2.598 178.912 176.117 0.329 0.000 1.097 1062 I CA 1.080 62.563 61.300 0.304 0.000 1.363 1062 I CB -0.332 37.848 38.000 0.300 0.000 1.051 1062 I HN 0.091 nan 8.210 nan 0.000 0.413 1063 A N 0.594 123.533 122.820 0.199 0.000 1.902 1063 A HA -0.276 4.044 4.320 0.001 0.000 0.217 1063 A C 2.180 179.787 177.584 0.039 0.000 1.181 1063 A CA 2.111 54.233 52.037 0.142 0.000 0.623 1063 A CB -0.981 18.064 19.000 0.075 0.000 0.818 1063 A HN 0.560 nan 8.150 nan 0.000 0.443 1064 N N -0.864 117.836 118.700 0.000 0.000 2.244 1064 N HA -0.201 4.540 4.740 0.001 0.000 0.183 1064 N C 1.953 177.403 175.510 -0.099 0.000 1.016 1064 N CA 1.463 54.484 53.050 -0.048 0.000 0.866 1064 N CB -0.118 38.338 38.487 -0.051 0.000 0.980 1064 N HN 0.734 nan 8.380 nan 0.000 0.430 1065 Q N -0.954 118.762 119.800 -0.139 0.000 2.212 1065 Q HA -0.086 4.255 4.340 0.001 0.000 0.199 1065 Q C 0.602 176.266 176.000 -0.561 0.000 0.950 1065 Q CA 1.015 56.599 55.803 -0.366 0.000 0.863 1065 Q CB 0.202 28.645 28.738 -0.491 0.000 0.944 1065 Q HN 0.497 nan 8.270 nan 0.000 0.465 1066 Y N -0.704 119.494 120.300 -0.171 0.000 2.444 1066 Y HA 0.317 4.867 4.550 0.000 0.000 0.249 1066 Y C 0.019 175.672 175.900 -0.412 0.000 1.134 1066 Y CA -0.259 57.625 58.100 -0.359 0.000 1.261 1066 Y CB 0.915 38.954 38.460 -0.702 0.000 1.143 1066 Y HN -0.054 nan 8.280 nan 0.000 0.523 1067 L N 0.236 121.361 121.223 -0.164 0.000 2.342 1067 L HA 0.664 5.005 4.340 0.001 0.000 0.271 1067 L C -0.165 176.656 176.870 -0.082 0.000 1.008 1067 L CA -0.765 53.996 54.840 -0.132 0.000 0.818 1067 L CB 2.038 44.052 42.059 -0.075 0.000 1.296 1067 L HN -0.093 nan 8.230 nan 0.000 0.427 1068 S N -0.040 115.623 115.700 -0.062 0.000 2.685 1068 S HA 0.432 4.903 4.470 0.001 0.000 0.282 1068 S C -0.865 173.720 174.600 -0.024 0.000 1.159 1068 S CA -1.122 57.052 58.200 -0.043 0.000 0.833 1068 S CB 1.729 64.901 63.200 -0.046 0.000 1.151 1068 S HN 0.547 nan 8.310 nan 0.000 0.485 1069 K N -0.041 120.349 120.400 -0.017 0.000 2.530 1069 K HA 0.302 4.623 4.320 0.001 0.000 0.280 1069 K C 1.364 177.964 176.600 0.001 0.000 1.004 1069 K CA 1.521 57.806 56.287 -0.004 0.000 1.071 1069 K CB -0.617 31.880 32.500 -0.004 0.000 0.876 1069 K HN 1.355 nan 8.250 nan 0.000 0.487 1070 G N 2.108 110.916 108.800 0.013 0.000 2.225 1070 G HA2 -0.276 3.684 3.960 0.001 0.000 0.254 1070 G HA3 -0.276 3.684 3.960 0.001 0.000 0.254 1070 G C 0.081 174.988 174.900 0.012 0.000 0.988 1070 G CA 0.315 45.424 45.100 0.016 0.000 0.625 1070 G HN 0.651 nan 8.290 nan 0.000 0.527 1071 S N 0.193 115.895 115.700 0.004 0.000 2.560 1071 S HA 0.482 4.953 4.470 0.001 0.000 0.284 1071 S C 0.607 175.219 174.600 0.020 0.000 1.327 1071 S CA 0.730 58.930 58.200 0.001 0.000 1.055 1071 S CB 1.438 64.625 63.200 -0.021 0.000 0.868 1071 S HN 0.825 nan 8.310 nan 0.000 0.506 1072 S N 1.913 117.629 115.700 0.027 0.000 2.508 1072 S HA 0.679 5.150 4.470 0.001 0.000 0.284 1072 S C -0.751 173.892 174.600 0.071 0.000 1.192 1072 S CA -0.540 57.685 58.200 0.041 0.000 1.070 1072 S CB 0.740 63.962 63.200 0.037 0.000 1.004 1072 S HN 0.570 nan 8.310 nan 0.000 0.493 1073 V N 5.572 125.531 119.914 0.076 0.000 3.077 1073 V HA 0.537 4.658 4.120 0.001 0.000 0.299 1073 V C -1.460 174.677 176.094 0.072 0.000 1.276 1073 V CA -0.892 61.476 62.300 0.114 0.000 0.993 1073 V CB 2.219 34.133 31.823 0.153 0.000 1.076 1073 V HN 0.917 nan 8.190 nan 0.000 0.434 1074 L N 6.307 127.566 121.223 0.061 0.000 2.272 1074 L HA 0.645 4.985 4.340 0.001 0.000 0.289 1074 L C -0.692 176.189 176.870 0.017 0.000 1.032 1074 L CA -0.356 54.500 54.840 0.026 0.000 0.810 1074 L CB 1.111 43.174 42.059 0.008 0.000 1.205 1074 L HN 0.704 nan 8.230 nan 0.000 0.422 1075 I N 4.951 125.529 120.570 0.014 0.000 2.441 1075 I HA 0.402 4.572 4.170 0.001 0.000 0.295 1075 I C -0.914 175.201 176.117 -0.004 0.000 0.994 1075 I CA -0.298 61.006 61.300 0.007 0.000 1.144 1075 I CB 1.933 39.940 38.000 0.012 0.000 1.314 1075 I HN 0.782 nan 8.210 nan 0.000 0.445 1076 E N 5.122 125.316 120.200 -0.010 0.000 2.224 1076 E HA 0.666 5.017 4.350 0.001 0.000 0.265 1076 E C -0.751 175.840 176.600 -0.015 0.000 0.878 1076 E CA -0.509 55.884 56.400 -0.013 0.000 0.759 1076 E CB 1.821 31.513 29.700 -0.013 0.000 1.164 1076 E HN 0.894 nan 8.360 nan 0.000 0.414 1077 G N 3.534 112.320 108.800 -0.023 0.000 2.635 1077 G HA2 0.359 4.319 3.960 0.001 0.000 0.194 1077 G HA3 0.359 4.319 3.960 0.001 0.000 0.194 1077 G C -1.318 173.551 174.900 -0.051 0.000 1.198 1077 G CA -0.730 44.355 45.100 -0.024 0.000 0.972 1077 G HN 0.603 nan 8.290 nan 0.000 0.520 1078 R N -0.881 119.600 120.500 -0.033 0.000 2.867 1078 R HA 0.794 5.134 4.340 0.001 0.000 0.268 1078 R C -1.156 175.142 176.300 -0.004 0.000 1.014 1078 R CA -0.920 55.151 56.100 -0.049 0.000 0.946 1078 R CB 1.707 31.976 30.300 -0.052 0.000 1.208 1078 R HN 0.407 nan 8.270 nan 0.000 0.477 1079 L N 1.406 122.629 121.223 -0.000 0.000 2.326 1079 L HA 0.353 4.694 4.340 0.001 0.000 0.278 1079 L C -0.536 176.393 176.870 0.099 0.000 1.092 1079 L CA -0.078 54.793 54.840 0.052 0.000 0.810 1079 L CB 1.845 43.929 42.059 0.041 0.000 1.153 1079 L HN 0.767 nan 8.230 nan 0.000 0.439 1080 T N 2.197 116.840 114.554 0.148 0.000 2.841 1080 T HA 0.300 4.650 4.350 0.001 0.000 0.283 1080 T C -1.288 173.560 174.700 0.247 0.000 1.000 1080 T CA -0.328 61.873 62.100 0.168 0.000 0.977 1080 T CB 1.259 70.198 68.868 0.119 0.000 0.979 1080 T HN 0.244 nan 8.240 nan 0.000 0.446 1081 Y N 2.598 122.942 120.300 0.073 0.000 2.402 1081 Y HA 0.427 4.969 4.550 -0.014 0.000 0.332 1081 Y C -0.057 175.853 175.900 0.016 0.000 0.960 1081 Y CA -1.175 56.918 58.100 -0.011 0.000 1.228 1081 Y CB 0.586 39.044 38.460 -0.003 0.000 1.120 1081 Y HN 0.600 nan 8.280 nan 0.000 0.491 1082 E N 3.271 123.259 120.200 -0.353 0.000 2.216 1082 E HA 0.444 4.794 4.350 0.001 0.000 0.279 1082 E C -0.912 175.496 176.600 -0.320 0.000 0.997 1082 E CA -0.682 55.604 56.400 -0.190 0.000 0.817 1082 E CB 1.562 31.262 29.700 -0.000 0.000 1.096 1082 E HN 0.436 nan 8.360 nan 0.000 0.393 1083 S N 3.405 119.045 115.700 -0.100 0.000 2.672 1083 S HA 0.601 5.071 4.470 0.001 0.000 0.291 1083 S C -1.842 172.858 174.600 0.167 0.000 1.145 1083 S CA -0.706 57.417 58.200 -0.128 0.000 1.013 1083 S CB 0.276 63.356 63.200 -0.200 0.000 1.017 1083 S HN 0.587 nan 8.310 nan 0.000 0.487 1084 W N 3.563 124.789 121.300 -0.124 0.000 2.959 1084 W HA 0.753 5.429 4.660 0.027 0.000 0.358 1084 W C -2.019 174.469 176.519 -0.052 0.000 1.228 1084 W CA -1.033 56.268 57.345 -0.074 0.000 1.183 1084 W CB 0.721 30.140 29.460 -0.068 0.000 1.467 1084 W HN 0.427 nan 8.180 nan 0.000 0.578 1085 M N 4.138 123.794 119.600 0.093 0.000 2.129 1085 M HA 0.211 4.692 4.480 0.001 0.000 0.348 1085 M C -0.191 176.197 176.300 0.147 0.000 1.116 1085 M CA -0.563 54.726 55.300 -0.019 0.000 1.022 1085 M CB 0.475 33.094 32.600 0.032 0.000 1.599 1085 M HN 0.464 nan 8.290 nan 0.000 0.449 1086 D N 2.802 123.211 120.400 0.015 0.000 2.377 1086 D HA 0.017 4.657 4.640 0.001 0.000 0.245 1086 D C 0.117 176.486 176.300 0.114 0.000 1.196 1086 D CA -0.102 54.011 54.000 0.187 0.000 0.962 1086 D CB 0.524 41.401 40.800 0.127 0.000 1.127 1086 D HN 0.694 nan 8.370 nan 0.000 0.471 1087 Q N -0.743 119.125 119.800 0.112 0.000 2.561 1087 Q HA -0.075 4.266 4.340 0.001 0.000 0.217 1087 Q C 0.994 177.019 176.000 0.041 0.000 0.980 1087 Q CA 0.891 56.734 55.803 0.068 0.000 0.927 1087 Q CB -0.212 28.560 28.738 0.057 0.000 0.980 1087 Q HN 0.524 nan 8.270 nan 0.000 0.525 1088 T N -1.262 113.311 114.554 0.033 0.000 3.057 1088 T HA 0.143 4.494 4.350 0.001 0.000 0.254 1088 T C 1.066 175.768 174.700 0.005 0.000 1.094 1088 T CA 0.872 62.980 62.100 0.014 0.000 1.088 1088 T CB 0.355 69.227 68.868 0.007 0.000 0.934 1088 T HN 0.581 nan 8.240 nan 0.000 0.497 1089 G N 1.509 110.311 108.800 0.004 0.000 2.148 1089 G HA2 -0.166 3.795 3.960 0.001 0.000 0.203 1089 G HA3 -0.166 3.795 3.960 0.001 0.000 0.203 1089 G C 0.025 174.904 174.900 -0.035 0.000 0.993 1089 G CA -0.382 44.713 45.100 -0.008 0.000 0.661 1089 G HN 0.397 nan 8.290 nan 0.000 0.518 1090 K N 0.896 121.263 120.400 -0.054 0.000 2.183 1090 K HA 0.403 4.724 4.320 0.001 0.000 0.274 1090 K C 0.302 176.796 176.600 -0.177 0.000 1.009 1090 K CA -0.674 55.557 56.287 -0.094 0.000 0.888 1090 K CB 0.579 33.029 32.500 -0.084 0.000 1.078 1090 K HN 0.171 nan 8.250 nan 0.000 0.459 1091 K N 2.404 122.698 120.400 -0.176 0.000 2.484 1091 K HA 0.029 4.349 4.320 0.001 0.000 0.280 1091 K C 0.116 176.483 176.600 -0.389 0.000 1.013 1091 K CA 0.187 56.324 56.287 -0.250 0.000 1.029 1091 K CB 0.180 32.585 32.500 -0.159 0.000 0.902 1091 K HN 0.385 nan 8.250 nan 0.000 0.481 1092 N N 0.407 118.698 118.700 -0.680 0.000 2.329 1092 N HA 0.387 5.127 4.740 0.001 0.000 0.282 1092 N C -1.688 173.210 175.510 -1.020 0.000 1.198 1092 N CA -0.466 52.031 53.050 -0.921 0.000 0.790 1092 N CB 2.045 39.703 38.487 -1.382 0.000 1.579 1092 N HN 0.651 nan 8.380 nan 0.000 0.475 1093 S N 1.103 116.413 115.700 -0.651 0.000 2.627 1093 S HA 0.783 5.254 4.470 0.001 0.000 0.283 1093 S C -0.830 173.676 174.600 -0.156 0.000 1.127 1093 S CA -0.800 57.147 58.200 -0.423 0.000 0.863 1093 S CB 2.981 66.008 63.200 -0.288 0.000 1.121 1093 S HN 0.639 nan 8.310 nan 0.000 0.479 1094 R N 0.117 120.527 120.500 -0.149 0.000 2.629 1094 R HA 0.356 4.696 4.340 0.001 0.000 0.266 1094 R C -1.894 174.327 176.300 -0.131 0.000 1.051 1094 R CA -0.553 55.548 56.100 0.000 0.000 0.895 1094 R CB 1.450 31.892 30.300 0.237 0.000 1.246 1094 R HN 0.870 nan 8.270 nan 0.000 0.459 1095 H N 1.622 120.794 119.070 0.171 0.000 2.511 1095 H HA 0.334 4.886 4.556 -0.006 0.000 0.328 1095 H C -0.318 175.076 175.328 0.109 0.000 1.044 1095 H CA -0.149 56.001 56.048 0.169 0.000 1.212 1095 H CB 1.985 31.843 29.762 0.159 0.000 1.428 1095 H HN 0.740 nan 8.280 nan 0.000 0.483 1096 T N 0.498 115.167 114.554 0.192 0.000 2.864 1096 T HA 0.635 4.986 4.350 0.001 0.000 0.289 1096 T C 0.033 174.791 174.700 0.098 0.000 1.082 1096 T CA -0.890 61.279 62.100 0.115 0.000 1.009 1096 T CB 1.531 70.435 68.868 0.060 0.000 1.234 1096 T HN 0.302 nan 8.240 nan 0.000 0.526 1097 I N 1.223 121.827 120.570 0.056 0.000 2.377 1097 I HA 0.378 4.549 4.170 0.001 0.000 0.293 1097 I C -0.102 176.029 176.117 0.022 0.000 0.987 1097 I CA -0.709 60.615 61.300 0.039 0.000 1.185 1097 I CB 2.069 40.081 38.000 0.021 0.000 1.341 1097 I HN 0.678 nan 8.210 nan 0.000 0.455 1098 T N 5.927 120.504 114.554 0.038 0.000 2.753 1098 T HA 0.491 4.842 4.350 0.001 0.000 0.297 1098 T C 0.129 174.846 174.700 0.028 0.000 0.981 1098 T CA -0.477 61.653 62.100 0.050 0.000 0.956 1098 T CB 0.927 69.875 68.868 0.133 0.000 0.936 1098 T HN 0.645 nan 8.240 nan 0.000 0.463 1099 A N 2.889 125.706 122.820 -0.006 0.000 2.366 1099 A HA 0.401 4.721 4.320 0.001 0.000 0.272 1099 A C 0.908 178.501 177.584 0.015 0.000 1.135 1099 A CA -0.548 51.486 52.037 -0.004 0.000 0.804 1099 A CB 0.317 19.305 19.000 -0.020 0.000 1.064 1099 A HN 0.798 nan 8.150 nan 0.000 0.499 1100 D N 0.412 120.818 120.400 0.011 0.000 2.277 1100 D HA 0.063 4.703 4.640 0.001 0.000 0.209 1100 D C 0.644 176.943 176.300 -0.000 0.000 0.970 1100 D CA 1.656 55.666 54.000 0.015 0.000 0.874 1100 D CB 0.330 41.134 40.800 0.007 0.000 0.982 1100 D HN 0.655 nan 8.370 nan 0.000 0.504 1101 S N -0.448 115.243 115.700 -0.015 0.000 2.596 1101 S HA 0.681 5.151 4.470 0.001 0.000 0.270 1101 S C -1.182 173.390 174.600 -0.046 0.000 1.155 1101 S CA -0.955 57.221 58.200 -0.040 0.000 0.827 1101 S CB 1.923 65.090 63.200 -0.055 0.000 1.130 1101 S HN 0.010 nan 8.310 nan 0.000 0.467 1102 L N 0.956 122.122 121.223 -0.095 0.000 2.408 1102 L HA 0.620 4.961 4.340 0.001 0.000 0.268 1102 L C -0.680 176.033 176.870 -0.261 0.000 0.986 1102 L CA -0.520 54.266 54.840 -0.090 0.000 0.820 1102 L CB 2.184 44.264 42.059 0.036 0.000 1.303 1102 L HN 0.832 nan 8.230 nan 0.000 0.411 1103 Q N 3.291 123.000 119.800 -0.152 0.000 2.381 1103 Q HA 0.464 4.804 4.340 0.001 0.000 0.263 1103 Q C -1.262 174.731 176.000 -0.012 0.000 1.030 1103 Q CA -0.503 55.184 55.803 -0.194 0.000 0.772 1103 Q CB 0.953 29.632 28.738 -0.097 0.000 1.232 1103 Q HN 0.516 nan 8.270 nan 0.000 0.476 1104 F N 3.881 123.811 119.950 -0.033 0.000 2.578 1104 F HA 0.067 4.594 4.527 -0.000 0.000 0.376 1104 F C 1.117 176.908 175.800 -0.015 0.000 1.085 1104 F CA 0.031 58.017 58.000 -0.023 0.000 1.260 1104 F CB 0.655 39.630 39.000 -0.042 0.000 1.095 1104 F HN 0.498 nan 8.300 nan 0.000 0.573 1105 M N 2.255 121.974 119.600 0.200 0.000 2.705 1105 M HA 0.077 4.558 4.480 0.001 0.000 0.387 1105 M C 0.135 176.478 176.300 0.071 0.000 1.204 1105 M CA -0.069 55.294 55.300 0.105 0.000 0.905 1105 M CB 0.307 32.950 32.600 0.073 0.000 1.394 1105 M HN 0.522 nan 8.290 nan 0.000 0.515 1106 D N 1.534 121.974 120.400 0.066 0.000 2.183 1106 D HA -0.018 4.622 4.640 0.001 0.000 0.205 1106 D C 0.844 177.161 176.300 0.029 0.000 0.962 1106 D CA 0.903 54.920 54.000 0.029 0.000 0.849 1106 D CB 0.300 41.098 40.800 -0.004 0.000 0.978 1106 D HN 0.289 nan 8.370 nan 0.000 0.488 1107 K N 1.371 121.796 120.400 0.041 0.000 2.436 1107 K HA 0.244 4.565 4.320 0.001 0.000 0.282 1107 K C -0.376 176.242 176.600 0.030 0.000 1.044 1107 K CA 0.185 56.493 56.287 0.035 0.000 1.028 1107 K CB 0.229 32.756 32.500 0.045 0.000 0.919 1107 K HN -0.152 nan 8.250 nan 0.000 0.474 1108 K N 2.363 122.776 120.400 0.022 0.000 2.483 1108 K HA 0.606 4.927 4.320 0.001 0.000 0.256 1108 K C -0.568 176.041 176.600 0.015 0.000 0.961 1108 K CA 0.058 56.356 56.287 0.018 0.000 0.873 1108 K CB 1.160 33.669 32.500 0.015 0.000 1.107 1108 K HN 0.995 nan 8.250 nan 0.000 0.432 1109 S N 0.000 115.709 115.700 0.014 0.000 2.498 1109 S HA 0.000 4.471 4.470 0.001 0.000 0.327 1109 S CA 0.000 nan 58.200 nan 0.000 1.107 1109 S CB 0.000 nan 63.200 nan 0.000 0.593 1109 S HN 0.000 nan 8.310 nan 0.000 0.517