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 2b5r_1_C DATA FIRST_RESID 1001 DATA SEQUENCE AGVMTGAKFT QIQFGMTRQQ VLDIAGAENC ETGGSFGDSI HCRGHAAGDY DATA SEQUENCE YAYATFGFTS AAADAKVDSK SQEKLLAPSA PTLTLAKFNQ VTVGMTRAQV DATA SEQUENCE LATVGQGScT TWSEYYPAYP STAGVTLSLS cFDVDGYSST GFYRGSAHLW 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 0.000 177.598 177.584 0.023 0.000 1.274 1001 A CA 0.000 52.047 52.037 0.016 0.000 0.836 1001 A CB 0.000 19.009 19.000 0.015 0.000 0.831 1002 G N -0.915 107.898 108.800 0.022 0.000 2.782 1002 G HA2 0.220 4.205 3.960 0.043 0.000 0.228 1002 G HA3 0.220 4.205 3.960 0.043 0.000 0.228 1002 G C 0.364 175.286 174.900 0.037 0.000 1.372 1002 G CA -0.103 45.014 45.100 0.029 0.000 0.862 1002 G HN 1.864 nan 8.290 nan 0.000 0.547 1003 V N -2.169 117.774 119.914 0.049 0.000 3.653 1003 V HA 0.800 4.945 4.120 0.043 0.000 0.282 1003 V C 1.356 177.495 176.094 0.075 0.000 0.993 1003 V CA 0.365 62.700 62.300 0.057 0.000 0.986 1003 V CB 0.911 32.778 31.823 0.073 0.000 1.249 1003 V HN 1.604 nan 8.190 nan 0.000 0.423 1004 M N 2.600 122.250 119.600 0.083 0.000 2.245 1004 M HA 0.478 4.984 4.480 0.043 0.000 0.344 1004 M C 0.022 176.397 176.300 0.126 0.000 1.170 1004 M CA 0.951 56.316 55.300 0.109 0.000 1.135 1004 M CB 0.191 32.857 32.600 0.109 0.000 1.574 1004 M HN 1.274 nan 8.290 nan 0.000 0.452 1005 T N 1.018 115.654 114.554 0.137 0.000 2.864 1005 T HA 0.634 5.010 4.350 0.043 0.000 0.299 1005 T C 0.823 175.613 174.700 0.151 0.000 1.166 1005 T CA -0.579 61.599 62.100 0.130 0.000 1.007 1005 T CB 1.120 70.049 68.868 0.102 0.000 1.219 1005 T HN 0.690 nan 8.240 nan 0.000 0.506 1006 G N 0.511 109.380 108.800 0.116 0.000 2.505 1006 G HA2 -0.096 3.889 3.960 0.043 0.000 0.220 1006 G HA3 -0.096 3.889 3.960 0.043 0.000 0.220 1006 G C 1.683 176.692 174.900 0.182 0.000 1.145 1006 G CA 1.171 46.347 45.100 0.126 0.000 0.761 1006 G HN 1.247 nan 8.290 nan 0.000 0.571 1007 A N 0.586 123.481 122.820 0.124 0.000 1.908 1007 A HA -0.040 4.306 4.320 0.043 0.000 0.218 1007 A C 2.327 179.978 177.584 0.111 0.000 1.181 1007 A CA 2.108 54.207 52.037 0.104 0.000 0.627 1007 A CB -0.360 18.679 19.000 0.065 0.000 0.818 1007 A HN 0.411 nan 8.150 nan 0.000 0.445 1008 K N -1.732 118.746 120.400 0.130 0.000 2.097 1008 K HA -0.043 4.303 4.320 0.043 0.000 0.205 1008 K C 1.735 178.424 176.600 0.149 0.000 1.050 1008 K CA 1.316 57.668 56.287 0.109 0.000 0.938 1008 K CB -0.309 32.264 32.500 0.120 0.000 0.718 1008 K HN 0.484 nan 8.250 nan 0.000 0.442 1009 F N 1.951 121.969 119.950 0.113 0.000 2.095 1009 F HA -0.264 4.290 4.527 0.044 0.000 0.298 1009 F C 2.063 177.925 175.800 0.104 0.000 1.104 1009 F CA 1.726 59.835 58.000 0.181 0.000 1.232 1009 F CB -0.414 38.674 39.000 0.147 0.000 0.987 1009 F HN -0.078 nan 8.300 nan 0.000 0.475 1010 T N -0.294 114.356 114.554 0.160 0.000 2.904 1010 T HA -0.198 4.177 4.350 0.043 0.000 0.267 1010 T C 1.875 176.539 174.700 -0.060 0.000 1.059 1010 T CA 1.309 63.430 62.100 0.036 0.000 1.137 1010 T CB -0.281 68.664 68.868 0.128 0.000 0.879 1010 T HN 0.418 nan 8.240 nan 0.000 0.467 1011 Q N 0.116 119.891 119.800 -0.043 0.000 2.119 1011 Q HA 0.010 4.376 4.340 0.043 0.000 0.201 1011 Q C 0.482 176.392 176.000 -0.150 0.000 0.972 1011 Q CA 0.712 56.472 55.803 -0.071 0.000 0.847 1011 Q CB -0.147 28.565 28.738 -0.043 0.000 0.903 1011 Q HN 0.482 nan 8.270 nan 0.000 0.433 1012 I N 2.198 122.621 120.570 -0.245 0.000 2.648 1012 I HA -0.059 4.137 4.170 0.043 0.000 0.284 1012 I C 0.049 175.937 176.117 -0.382 0.000 1.153 1012 I CA 0.164 61.239 61.300 -0.375 0.000 1.426 1012 I CB 0.701 38.316 38.000 -0.641 0.000 1.381 1012 I HN 0.227 nan 8.210 nan 0.000 0.571 1013 Q N 5.317 124.921 119.800 -0.327 0.000 2.377 1013 Q HA 0.447 4.812 4.340 0.043 0.000 0.271 1013 Q C -0.760 175.060 176.000 -0.300 0.000 1.077 1013 Q CA -0.943 54.709 55.803 -0.251 0.000 0.820 1013 Q CB 2.020 30.701 28.738 -0.096 0.000 1.347 1013 Q HN 0.332 nan 8.270 nan 0.000 0.444 1014 F N 0.452 120.342 119.950 -0.100 0.000 2.629 1014 F HA 0.172 4.723 4.527 0.040 0.000 0.369 1014 F C 1.721 177.454 175.800 -0.112 0.000 1.125 1014 F CA 2.068 59.996 58.000 -0.121 0.000 1.330 1014 F CB 0.263 39.213 39.000 -0.083 0.000 1.071 1014 F HN 0.866 nan 8.300 nan 0.000 0.595 1015 G N 2.189 110.961 108.800 -0.047 0.000 2.195 1015 G HA2 -0.295 3.691 3.960 0.043 0.000 0.246 1015 G HA3 -0.295 3.691 3.960 0.043 0.000 0.246 1015 G C 0.241 175.138 174.900 -0.006 0.000 0.984 1015 G CA -0.178 44.922 45.100 0.000 0.000 0.633 1015 G HN 0.489 nan 8.290 nan 0.000 0.525 1016 M N 1.910 121.472 119.600 -0.063 0.000 2.226 1016 M HA 0.399 4.905 4.480 0.043 0.000 0.324 1016 M C 1.572 177.914 176.300 0.069 0.000 1.112 1016 M CA 0.685 55.966 55.300 -0.031 0.000 1.176 1016 M CB 0.569 33.106 32.600 -0.106 0.000 1.430 1016 M HN 0.454 nan 8.290 nan 0.000 0.462 1017 T N -0.975 113.629 114.554 0.084 0.000 2.816 1017 T HA 0.290 4.666 4.350 0.043 0.000 0.282 1017 T C 1.004 175.805 174.700 0.168 0.000 0.993 1017 T CA -0.588 61.593 62.100 0.135 0.000 0.994 1017 T CB 0.884 69.781 68.868 0.048 0.000 1.025 1017 T HN 0.672 nan 8.240 nan 0.000 0.529 1018 R N 0.094 120.606 120.500 0.021 0.000 2.083 1018 R HA -0.148 4.217 4.340 0.043 0.000 0.237 1018 R C 2.603 178.870 176.300 -0.056 0.000 1.137 1018 R CA 1.741 57.743 56.100 -0.162 0.000 0.951 1018 R CB -0.497 29.552 30.300 -0.419 0.000 0.851 1018 R HN 0.698 nan 8.270 nan 0.000 0.434 1019 Q N 1.124 120.894 119.800 -0.049 0.000 2.170 1019 Q HA -0.181 4.185 4.340 0.043 0.000 0.203 1019 Q C 1.871 177.855 176.000 -0.027 0.000 0.976 1019 Q CA 1.671 57.453 55.803 -0.035 0.000 0.858 1019 Q CB 0.042 28.764 28.738 -0.028 0.000 0.907 1019 Q HN 0.377 nan 8.270 nan 0.000 0.433 1020 Q N -1.167 118.620 119.800 -0.022 0.000 2.119 1020 Q HA -0.097 4.269 4.340 0.043 0.000 0.201 1020 Q C 2.058 178.011 176.000 -0.079 0.000 0.972 1020 Q CA 1.443 57.219 55.803 -0.044 0.000 0.847 1020 Q CB 0.106 28.817 28.738 -0.045 0.000 0.903 1020 Q HN 0.267 nan 8.270 nan 0.000 0.433 1021 V N 1.149 121.017 119.914 -0.076 0.000 2.261 1021 V HA -0.279 3.867 4.120 0.043 0.000 0.246 1021 V C 2.201 178.243 176.094 -0.087 0.000 1.047 1021 V CA 1.641 63.846 62.300 -0.158 0.000 1.015 1021 V CB -0.544 31.225 31.823 -0.089 0.000 0.642 1021 V HN 0.359 nan 8.190 nan 0.000 0.446 1022 L N -0.107 121.099 121.223 -0.028 0.000 2.042 1022 L HA -0.219 4.146 4.340 0.043 0.000 0.210 1022 L C 2.373 179.233 176.870 -0.016 0.000 1.076 1022 L CA 1.689 56.524 54.840 -0.008 0.000 0.749 1022 L CB -0.867 41.187 42.059 -0.008 0.000 0.893 1022 L HN 0.356 nan 8.230 nan 0.000 0.432 1023 D N 0.184 120.568 120.400 -0.027 0.000 2.144 1023 D HA -0.137 4.528 4.640 0.043 0.000 0.199 1023 D C 2.248 178.532 176.300 -0.027 0.000 0.984 1023 D CA 1.311 55.297 54.000 -0.024 0.000 0.834 1023 D CB -0.049 40.736 40.800 -0.026 0.000 0.955 1023 D HN 0.348 nan 8.370 nan 0.000 0.465 1024 I N 0.610 121.151 120.570 -0.048 0.000 2.406 1024 I HA -0.110 4.086 4.170 0.043 0.000 0.249 1024 I C 2.339 178.447 176.117 -0.016 0.000 1.122 1024 I CA 0.670 61.943 61.300 -0.045 0.000 1.431 1024 I CB -0.040 37.906 38.000 -0.090 0.000 1.087 1024 I HN -0.090 nan 8.210 nan 0.000 0.424 1025 A N 0.536 123.350 122.820 -0.010 0.000 1.970 1025 A HA 0.304 4.650 4.320 0.043 0.000 0.216 1025 A C 1.369 178.977 177.584 0.040 0.000 1.170 1025 A CA 1.023 53.086 52.037 0.044 0.000 0.645 1025 A CB -0.591 18.461 19.000 0.088 0.000 0.816 1025 A HN 0.519 nan 8.150 nan 0.000 0.447 1026 G N -1.990 106.823 108.800 0.022 0.000 3.383 1026 G HA2 0.280 4.266 3.960 0.043 0.000 0.685 1026 G HA3 0.280 4.266 3.960 0.043 0.000 0.685 1026 G C 0.569 175.481 174.900 0.021 0.000 1.104 1026 G CA 0.074 45.185 45.100 0.019 0.000 0.957 1026 G HN 1.298 nan 8.290 nan 0.000 0.461 1027 A N 1.509 124.337 122.820 0.014 0.000 2.019 1027 A HA 0.066 4.412 4.320 0.043 0.000 0.219 1027 A C 2.085 179.678 177.584 0.015 0.000 1.164 1027 A CA 2.315 54.361 52.037 0.015 0.000 0.644 1027 A CB -0.131 18.873 19.000 0.006 0.000 0.805 1027 A HN 1.173 nan 8.150 nan 0.000 0.449 1028 E N 1.119 121.326 120.200 0.012 0.000 2.204 1028 E HA -0.134 4.241 4.350 0.043 0.000 0.195 1028 E C 1.359 177.963 176.600 0.006 0.000 0.990 1028 E CA 1.392 57.796 56.400 0.008 0.000 0.821 1028 E CB -0.257 29.446 29.700 0.005 0.000 0.750 1028 E HN 0.636 nan 8.360 nan 0.000 0.477 1029 N N -0.838 117.870 118.700 0.012 0.000 2.467 1029 N HA -0.001 4.765 4.740 0.043 0.000 0.184 1029 N C -0.406 175.107 175.510 0.004 0.000 1.106 1029 N CA 0.320 53.373 53.050 0.005 0.000 0.892 1029 N CB 0.094 38.593 38.487 0.021 0.000 0.969 1029 N HN 0.122 nan 8.380 nan 0.000 0.454 1030 C N 0.979 120.292 119.300 0.021 0.000 2.562 1030 C HA 0.568 5.054 4.460 0.043 0.000 0.332 1030 C C 0.243 175.258 174.990 0.043 0.000 1.201 1030 C CA -0.952 58.088 59.018 0.035 0.000 1.803 1030 C CB 1.813 29.591 27.740 0.064 0.000 2.328 1030 C HN 0.398 nan 8.230 nan 0.000 0.500 1031 E N -0.006 120.228 120.200 0.057 0.000 2.408 1031 E HA 0.703 5.079 4.350 0.043 0.000 0.275 1031 E C -1.351 175.306 176.600 0.095 0.000 0.935 1031 E CA -0.379 56.069 56.400 0.079 0.000 0.775 1031 E CB 2.068 31.838 29.700 0.117 0.000 1.277 1031 E HN 0.539 nan 8.360 nan 0.000 0.455 1032 T N -0.218 114.402 114.554 0.109 0.000 2.838 1032 T HA 0.688 5.064 4.350 0.043 0.000 0.292 1032 T C 0.138 174.923 174.700 0.141 0.000 1.113 1032 T CA 0.642 62.821 62.100 0.132 0.000 1.008 1032 T CB 1.110 70.020 68.868 0.071 0.000 1.259 1032 T HN 1.287 nan 8.240 nan 0.000 0.520 1033 G N 0.311 109.195 108.800 0.138 0.000 2.698 1033 G HA2 0.313 4.299 3.960 0.043 0.000 0.233 1033 G HA3 0.313 4.299 3.960 0.043 0.000 0.233 1033 G C 0.894 175.855 174.900 0.103 0.000 1.352 1033 G CA 0.285 45.444 45.100 0.097 0.000 0.879 1033 G HN 2.267 nan 8.290 nan 0.000 0.567 1034 G N -1.274 107.548 108.800 0.038 0.000 2.651 1034 G HA2 -0.129 3.857 3.960 0.043 0.000 0.315 1034 G HA3 -0.129 3.857 3.960 0.043 0.000 0.315 1034 G C 1.693 176.530 174.900 -0.104 0.000 1.258 1034 G CA 2.001 47.093 45.100 -0.014 0.000 1.002 1034 G HN 2.194 nan 8.290 nan 0.000 0.551 1035 S N 0.228 115.778 115.700 -0.250 0.000 2.442 1035 S HA 0.048 4.544 4.470 0.043 0.000 0.236 1035 S C 1.664 175.864 174.600 -0.667 0.000 1.007 1035 S CA 2.064 59.937 58.200 -0.545 0.000 0.965 1035 S CB -0.237 62.436 63.200 -0.878 0.000 0.773 1035 S HN 0.433 nan 8.310 nan 0.000 0.504 1036 F N 1.075 120.984 119.950 -0.069 0.000 2.664 1036 F HA 0.339 4.891 4.527 0.041 0.000 0.303 1036 F C 1.796 177.597 175.800 0.001 0.000 1.092 1036 F CA -0.093 57.877 58.000 -0.051 0.000 1.305 1036 F CB -0.351 38.620 39.000 -0.048 0.000 1.054 1036 F HN 0.272 nan 8.300 nan 0.000 0.565 1037 G N 1.174 110.037 108.800 0.104 0.000 2.614 1037 G HA2 -0.405 3.581 3.960 0.043 0.000 0.303 1037 G HA3 -0.405 3.581 3.960 0.043 0.000 0.303 1037 G C 0.706 175.679 174.900 0.120 0.000 1.270 1037 G CA 0.768 45.920 45.100 0.087 0.000 0.988 1037 G HN 0.267 nan 8.290 nan 0.000 0.551 1038 D N 1.140 121.612 120.400 0.121 0.000 2.351 1038 D HA 0.142 4.807 4.640 0.043 0.000 0.216 1038 D C 1.655 178.088 176.300 0.221 0.000 0.968 1038 D CA 1.263 55.346 54.000 0.139 0.000 0.899 1038 D CB -0.137 40.760 40.800 0.161 0.000 0.907 1038 D HN 0.336 nan 8.370 nan 0.000 0.514 1039 S N -0.280 115.579 115.700 0.265 0.000 2.669 1039 S HA 0.440 4.936 4.470 0.043 0.000 0.270 1039 S C 0.525 175.322 174.600 0.328 0.000 1.225 1039 S CA -0.602 57.820 58.200 0.370 0.000 0.991 1039 S CB 1.474 64.846 63.200 0.287 0.000 0.987 1039 S HN 0.005 nan 8.310 nan 0.000 0.552 1040 I N 1.714 122.540 120.570 0.428 0.000 2.362 1040 I HA 0.283 4.479 4.170 0.043 0.000 0.289 1040 I C -0.559 175.703 176.117 0.242 0.000 0.994 1040 I CA -0.393 61.099 61.300 0.320 0.000 1.158 1040 I CB 1.223 39.465 38.000 0.403 0.000 1.315 1040 I HN 0.636 nan 8.210 nan 0.000 0.451 1041 H N 5.725 124.731 119.070 -0.107 0.000 2.505 1041 H HA 0.546 5.128 4.556 0.043 0.000 0.338 1041 H C -1.400 173.852 175.328 -0.128 0.000 1.057 1041 H CA -0.431 55.423 56.048 -0.322 0.000 1.202 1041 H CB 1.222 30.294 29.762 -1.151 0.000 1.466 1041 H HN 0.613 nan 8.280 nan 0.000 0.499 1042 C N 6.018 125.127 119.300 -0.317 0.000 2.369 1042 C HA 0.531 5.016 4.460 0.043 0.000 0.322 1042 C C -0.031 174.852 174.990 -0.178 0.000 1.258 1042 C CA -0.987 57.956 59.018 -0.124 0.000 1.487 1042 C CB 0.449 28.261 27.740 0.120 0.000 2.165 1042 C HN 0.849 nan 8.230 nan 0.000 0.483 1043 R N 1.318 121.756 120.500 -0.102 0.000 2.404 1043 R HA 0.614 4.980 4.340 0.043 0.000 0.291 1043 R C 0.760 177.079 176.300 0.032 0.000 1.025 1043 R CA -0.057 56.037 56.100 -0.010 0.000 0.991 1043 R CB 1.223 31.444 30.300 -0.131 0.000 1.053 1043 R HN 0.929 nan 8.270 nan 0.000 0.479 1044 G N 0.793 109.640 108.800 0.078 0.000 2.849 1044 G HA2 0.082 4.068 3.960 0.043 0.000 0.174 1044 G HA3 0.082 4.068 3.960 0.043 0.000 0.174 1044 G C -0.550 174.386 174.900 0.059 0.000 1.370 1044 G CA -0.595 44.547 45.100 0.071 0.000 1.040 1044 G HN 0.766 nan 8.290 nan 0.000 0.582 1045 H N 0.013 119.123 119.070 0.067 0.000 3.046 1045 H HA 0.475 5.058 4.556 0.045 0.000 0.303 1045 H C 0.624 176.010 175.328 0.096 0.000 1.002 1045 H CA 0.096 56.177 56.048 0.055 0.000 1.460 1045 H CB 0.629 30.417 29.762 0.042 0.000 1.493 1045 H HN 0.468 nan 8.280 nan 0.000 0.559 1046 A N 4.225 127.083 122.820 0.065 0.000 2.383 1046 A HA 0.505 4.850 4.320 0.043 0.000 0.225 1046 A C 1.849 179.484 177.584 0.086 0.000 1.946 1046 A CA 1.548 53.599 52.037 0.024 0.000 0.739 1046 A CB -0.889 18.035 19.000 -0.127 0.000 1.405 1046 A HN 1.606 nan 8.150 nan 0.000 0.548 1047 A N -3.181 119.669 122.820 0.050 0.000 3.553 1047 A HA 0.311 4.656 4.320 0.043 0.000 0.261 1047 A C 1.925 179.538 177.584 0.049 0.000 1.096 1047 A CA 1.821 53.894 52.037 0.061 0.000 1.308 1047 A CB -1.778 17.280 19.000 0.098 0.000 1.084 1047 A HN 2.773 nan 8.150 nan 0.000 0.914 1048 G N -1.411 107.419 108.800 0.049 0.000 2.295 1048 G HA2 0.379 4.364 3.960 0.043 0.000 0.195 1048 G HA3 0.379 4.364 3.960 0.043 0.000 0.195 1048 G C -0.848 174.107 174.900 0.092 0.000 1.269 1048 G CA 0.421 45.545 45.100 0.040 0.000 1.170 1048 G HN 1.251 nan 8.290 nan 0.000 0.511 1049 D N 0.468 120.850 120.400 -0.029 0.000 2.548 1049 D HA 0.382 5.048 4.640 0.043 0.000 0.231 1049 D C 0.225 176.479 176.300 -0.077 0.000 1.142 1049 D CA 1.659 55.542 54.000 -0.196 0.000 0.866 1049 D CB -0.301 40.119 40.800 -0.634 0.000 1.190 1049 D HN 0.754 nan 8.370 nan 0.000 0.469 1050 Y N -0.638 119.620 120.300 -0.068 0.000 2.947 1050 Y HA -0.271 4.304 4.550 0.041 0.000 0.124 1050 Y C -0.565 175.250 175.900 -0.141 0.000 1.908 1050 Y CA -0.650 57.305 58.100 -0.240 0.000 0.975 1050 Y CB -1.947 36.269 38.460 -0.406 0.000 1.591 1050 Y HN 0.452 nan 8.280 nan 0.000 0.340 1051 Y N -0.462 119.862 120.300 0.040 0.000 2.528 1051 Y HA 0.923 5.504 4.550 0.052 0.000 0.335 1051 Y C -0.010 175.862 175.900 -0.047 0.000 1.093 1051 Y CA -1.492 56.581 58.100 -0.045 0.000 1.134 1051 Y CB 1.044 39.491 38.460 -0.022 0.000 1.253 1051 Y HN 0.320 nan 8.280 nan 0.000 0.478 1052 A N 2.740 125.503 122.820 -0.095 0.000 2.407 1052 A HA 0.575 4.921 4.320 0.043 0.000 0.248 1052 A C -1.162 176.454 177.584 0.053 0.000 1.082 1052 A CA 0.014 51.924 52.037 -0.211 0.000 0.785 1052 A CB -0.532 18.139 19.000 -0.548 0.000 1.020 1052 A HN 1.120 nan 8.150 nan 0.000 0.489 1053 Y N -2.349 117.857 120.300 -0.157 0.000 2.713 1053 Y HA 0.711 5.281 4.550 0.034 0.000 0.335 1053 Y C -0.541 175.240 175.900 -0.198 0.000 1.222 1053 Y CA -0.825 57.176 58.100 -0.165 0.000 1.061 1053 Y CB 0.658 38.989 38.460 -0.214 0.000 1.314 1053 Y HN 1.085 nan 8.280 nan 0.000 0.453 1054 A N 0.720 123.515 122.820 -0.041 0.000 2.413 1054 A HA 0.890 5.236 4.320 0.043 0.000 0.307 1054 A C -1.232 176.246 177.584 -0.176 0.000 1.087 1054 A CA -0.809 51.126 52.037 -0.170 0.000 0.750 1054 A CB 1.734 20.658 19.000 -0.126 0.000 1.296 1054 A HN 0.797 nan 8.150 nan 0.000 0.423 1055 T N 1.297 115.678 114.554 -0.288 0.000 2.881 1055 T HA 0.609 4.984 4.350 0.043 0.000 0.290 1055 T C -1.404 172.982 174.700 -0.523 0.000 1.000 1055 T CA 0.040 62.014 62.100 -0.210 0.000 0.978 1055 T CB 0.435 69.384 68.868 0.136 0.000 0.997 1055 T HN 0.338 nan 8.240 nan 0.000 0.443 1056 F N 1.555 121.583 119.950 0.129 0.000 2.426 1056 F HA 0.629 5.186 4.527 0.049 0.000 0.348 1056 F C 0.940 176.713 175.800 -0.046 0.000 1.124 1056 F CA -0.911 57.077 58.000 -0.021 0.000 1.008 1056 F CB 1.471 40.418 39.000 -0.087 0.000 1.139 1056 F HN 0.665 nan 8.300 nan 0.000 0.452 1057 G N 2.431 111.226 108.800 -0.007 0.000 2.400 1057 G HA2 0.601 4.587 3.960 0.043 0.000 0.301 1057 G HA3 0.601 4.587 3.960 0.043 0.000 0.301 1057 G C -1.487 173.257 174.900 -0.261 0.000 1.154 1057 G CA -0.277 44.829 45.100 0.010 0.000 0.852 1057 G HN 0.384 nan 8.290 nan 0.000 0.511 1058 F N -0.417 119.607 119.950 0.123 0.000 2.561 1058 F HA 0.339 4.892 4.527 0.042 0.000 0.321 1058 F C 1.903 177.766 175.800 0.103 0.000 1.065 1058 F CA -0.446 57.609 58.000 0.092 0.000 0.934 1058 F CB 2.271 41.314 39.000 0.072 0.000 1.215 1058 F HN 0.572 nan 8.300 nan 0.000 0.471 1059 T N -2.477 112.222 114.554 0.243 0.000 2.929 1059 T HA 0.034 4.410 4.350 0.043 0.000 0.271 1059 T C 0.546 175.363 174.700 0.195 0.000 1.085 1059 T CA 1.172 63.394 62.100 0.203 0.000 1.125 1059 T CB -0.369 68.606 68.868 0.180 0.000 0.874 1059 T HN 0.624 nan 8.240 nan 0.000 0.494 1060 S N -1.041 114.779 115.700 0.201 0.000 2.703 1060 S HA 0.705 5.201 4.470 0.043 0.000 0.273 1060 S C 0.764 175.441 174.600 0.127 0.000 1.178 1060 S CA -0.433 57.854 58.200 0.145 0.000 0.838 1060 S CB 0.948 64.215 63.200 0.112 0.000 1.178 1060 S HN 0.333 nan 8.310 nan 0.000 0.494 1061 A N 0.184 123.052 122.820 0.080 0.000 2.167 1061 A HA 0.673 5.019 4.320 0.043 0.000 0.214 1061 A C 1.304 178.892 177.584 0.008 0.000 1.151 1061 A CA 0.681 52.744 52.037 0.043 0.000 0.735 1061 A CB -1.332 17.690 19.000 0.037 0.000 0.802 1061 A HN 1.640 nan 8.150 nan 0.000 0.467 1062 A N -0.673 122.161 122.820 0.024 0.000 2.520 1062 A HA 0.448 4.794 4.320 0.043 0.000 0.235 1062 A C 1.596 179.162 177.584 -0.030 0.000 1.065 1062 A CA 0.350 52.392 52.037 0.008 0.000 0.764 1062 A CB 0.006 19.024 19.000 0.030 0.000 1.002 1062 A HN 1.221 nan 8.150 nan 0.000 0.502 1063 A N 1.257 124.056 122.820 -0.036 0.000 2.076 1063 A HA -0.113 4.233 4.320 0.043 0.000 0.220 1063 A C 1.286 178.838 177.584 -0.053 0.000 1.160 1063 A CA 1.907 53.907 52.037 -0.062 0.000 0.653 1063 A CB -0.409 18.566 19.000 -0.041 0.000 0.801 1063 A HN 0.906 nan 8.150 nan 0.000 0.455 1064 D N -0.718 119.675 120.400 -0.011 0.000 2.388 1064 D HA 0.435 5.101 4.640 0.043 0.000 0.221 1064 D C 0.570 176.905 176.300 0.058 0.000 1.133 1064 D CA 0.342 54.353 54.000 0.017 0.000 0.831 1064 D CB -0.630 40.187 40.800 0.027 0.000 0.962 1064 D HN 0.344 nan 8.370 nan 0.000 0.502 1065 A N 0.572 123.430 122.820 0.063 0.000 2.409 1065 A HA 0.397 4.743 4.320 0.043 0.000 0.246 1065 A C 0.490 178.249 177.584 0.292 0.000 1.099 1065 A CA -0.036 52.102 52.037 0.169 0.000 0.789 1065 A CB 0.519 19.639 19.000 0.199 0.000 1.053 1065 A HN 0.059 nan 8.150 nan 0.000 0.503 1066 K N -0.257 120.321 120.400 0.296 0.000 2.340 1066 K HA 0.490 4.836 4.320 0.043 0.000 0.244 1066 K C -1.021 175.532 176.600 -0.078 0.000 0.973 1066 K CA -0.885 55.501 56.287 0.165 0.000 0.828 1066 K CB 1.704 34.204 32.500 -0.000 0.000 1.226 1066 K HN 0.354 nan 8.250 nan 0.000 0.437 1067 V N 3.155 122.868 119.914 -0.335 0.000 2.479 1067 V HA -0.034 4.112 4.120 0.043 0.000 0.281 1067 V C 0.679 176.570 176.094 -0.337 0.000 1.031 1067 V CA 0.440 62.368 62.300 -0.619 0.000 1.038 1067 V CB 0.236 31.738 31.823 -0.536 0.000 0.981 1067 V HN 0.810 nan 8.190 nan 0.000 0.478 1068 D N 1.889 122.199 120.400 -0.151 0.000 2.500 1068 D HA 0.154 4.820 4.640 0.043 0.000 0.217 1068 D C 0.421 177.075 176.300 0.589 0.000 1.159 1068 D CA 0.010 54.106 54.000 0.160 0.000 0.828 1068 D CB 0.801 41.682 40.800 0.134 0.000 1.039 1068 D HN 0.401 nan 8.370 nan 0.000 0.512 1069 S N -0.820 115.133 115.700 0.422 0.000 2.546 1069 S HA 0.567 5.062 4.470 0.043 0.000 0.272 1069 S C -1.727 173.009 174.600 0.227 0.000 1.140 1069 S CA -0.804 57.683 58.200 0.477 0.000 0.920 1069 S CB 1.169 64.513 63.200 0.241 0.000 1.083 1069 S HN 0.055 nan 8.310 nan 0.000 0.476 1070 K N 2.168 122.729 120.400 0.268 0.000 2.397 1070 K HA 0.714 5.060 4.320 0.043 0.000 0.253 1070 K C -1.301 175.478 176.600 0.297 0.000 0.932 1070 K CA -0.719 55.654 56.287 0.144 0.000 0.795 1070 K CB 2.093 34.549 32.500 -0.074 0.000 1.159 1070 K HN 0.483 nan 8.250 nan 0.000 0.424 1071 S N 1.756 117.585 115.700 0.215 0.000 2.549 1071 S HA 0.472 4.968 4.470 0.043 0.000 0.280 1071 S C -1.640 172.974 174.600 0.023 0.000 1.109 1071 S CA -0.914 57.408 58.200 0.203 0.000 0.905 1071 S CB 1.979 65.269 63.200 0.150 0.000 1.081 1071 S HN 0.628 nan 8.310 nan 0.000 0.477 1072 Q N 0.287 120.005 119.800 -0.138 0.000 2.472 1072 Q HA 0.658 5.024 4.340 0.043 0.000 0.281 1072 Q C -1.887 173.784 176.000 -0.550 0.000 0.997 1072 Q CA -0.817 54.656 55.803 -0.549 0.000 0.828 1072 Q CB 1.207 29.344 28.738 -1.003 0.000 1.443 1072 Q HN 0.503 nan 8.270 nan 0.000 0.390 1073 E N 1.369 121.025 120.200 -0.907 0.000 2.248 1073 E HA 0.416 4.791 4.350 0.043 0.000 0.267 1073 E C -0.830 175.499 176.600 -0.452 0.000 0.877 1073 E CA -1.097 54.901 56.400 -0.669 0.000 0.759 1073 E CB 1.325 30.605 29.700 -0.701 0.000 1.182 1073 E HN 0.677 nan 8.360 nan 0.000 0.418 1074 K N 1.214 121.514 120.400 -0.167 0.000 3.341 1074 K HA -0.204 4.142 4.320 0.043 0.000 0.305 1074 K C 0.588 177.224 176.600 0.060 0.000 1.270 1074 K CA 0.682 56.968 56.287 -0.001 0.000 0.897 1074 K CB -1.925 30.486 32.500 -0.149 0.000 1.264 1074 K HN 0.636 nan 8.250 nan 0.000 0.468 1075 L N -0.547 120.639 121.223 -0.061 0.000 2.470 1075 L HA 0.239 4.604 4.340 0.043 0.000 0.219 1075 L C 0.805 177.647 176.870 -0.046 0.000 1.071 1075 L CA 0.165 54.977 54.840 -0.047 0.000 0.850 1075 L CB 0.277 42.227 42.059 -0.183 0.000 1.040 1075 L HN 0.035 nan 8.230 nan 0.000 0.475 1076 L N 0.226 121.375 121.223 -0.123 0.000 2.341 1076 L HA 0.633 4.999 4.340 0.043 0.000 0.278 1076 L C -0.255 176.343 176.870 -0.453 0.000 1.005 1076 L CA -0.485 54.243 54.840 -0.187 0.000 0.818 1076 L CB 1.975 43.937 42.059 -0.161 0.000 1.259 1076 L HN -0.097 nan 8.230 nan 0.000 0.418 1077 A N 4.592 127.118 122.820 -0.490 0.000 2.312 1077 A HA 0.841 5.186 4.320 0.043 0.000 0.326 1077 A C -2.418 174.847 177.584 -0.532 0.000 1.172 1077 A CA -1.474 50.028 52.037 -0.891 0.000 0.821 1077 A CB 0.371 19.073 19.000 -0.497 0.000 1.166 1077 A HN 0.427 nan 8.150 nan 0.000 0.493 1078 P HA 0.087 nan 4.420 nan 0.000 0.269 1078 P C 0.835 178.054 177.300 -0.134 0.000 1.209 1078 P CA 0.150 63.131 63.100 -0.199 0.000 0.776 1078 P CB 0.980 32.632 31.700 -0.080 0.000 0.876 1079 S N 1.539 117.203 115.700 -0.059 0.000 2.446 1079 S HA 0.172 4.668 4.470 0.043 0.000 0.225 1079 S C 0.894 175.482 174.600 -0.020 0.000 1.016 1079 S CA 0.532 58.708 58.200 -0.039 0.000 0.943 1079 S CB -0.201 62.989 63.200 -0.016 0.000 0.786 1079 S HN 0.623 nan 8.310 nan 0.000 0.508 1080 A N 2.181 124.999 122.820 -0.003 0.000 3.158 1080 A HA 0.555 4.901 4.320 0.043 0.000 0.302 1080 A C -3.174 174.428 177.584 0.030 0.000 1.162 1080 A CA -1.172 50.872 52.037 0.011 0.000 0.824 1080 A CB 0.749 19.758 19.000 0.015 0.000 1.322 1080 A HN 0.327 nan 8.150 nan 0.000 0.510 1081 P HA 0.276 nan 4.420 nan 0.000 0.282 1081 P C 0.424 177.766 177.300 0.071 0.000 1.262 1081 P CA 0.270 63.416 63.100 0.076 0.000 0.773 1081 P CB 1.249 33.009 31.700 0.100 0.000 0.879 1082 T N -0.280 114.318 114.554 0.073 0.000 3.262 1082 T HA 0.152 4.528 4.350 0.043 0.000 0.300 1082 T C 0.385 175.126 174.700 0.068 0.000 0.959 1082 T CA -0.346 61.791 62.100 0.062 0.000 0.936 1082 T CB -0.434 68.462 68.868 0.047 0.000 1.169 1082 T HN 0.126 nan 8.240 nan 0.000 0.532 1083 L N 3.983 125.256 121.223 0.084 0.000 2.483 1083 L HA 0.583 4.949 4.340 0.043 0.000 0.276 1083 L C 0.267 177.185 176.870 0.080 0.000 1.213 1083 L CA 1.039 55.931 54.840 0.087 0.000 0.843 1083 L CB 0.748 42.864 42.059 0.095 0.000 1.107 1083 L HN 0.571 nan 8.230 nan 0.000 0.487 1084 T N 1.265 115.869 114.554 0.083 0.000 2.838 1084 T HA 0.325 4.701 4.350 0.043 0.000 0.292 1084 T C 0.597 175.351 174.700 0.090 0.000 1.113 1084 T CA -0.333 61.810 62.100 0.071 0.000 1.008 1084 T CB 0.672 69.574 68.868 0.057 0.000 1.259 1084 T HN 0.608 nan 8.240 nan 0.000 0.520 1085 L N 1.673 122.934 121.223 0.063 0.000 2.042 1085 L HA 0.125 4.490 4.340 0.043 0.000 0.210 1085 L C 2.864 179.806 176.870 0.119 0.000 1.076 1085 L CA 2.716 57.601 54.840 0.075 0.000 0.749 1085 L CB -1.343 40.732 42.059 0.026 0.000 0.893 1085 L HN 0.959 nan 8.230 nan 0.000 0.432 1086 A N -0.342 122.524 122.820 0.076 0.000 1.869 1086 A HA -0.334 4.012 4.320 0.043 0.000 0.218 1086 A C 2.360 179.981 177.584 0.062 0.000 1.203 1086 A CA 2.577 54.649 52.037 0.059 0.000 0.638 1086 A CB -0.694 18.329 19.000 0.038 0.000 0.831 1086 A HN 0.544 nan 8.150 nan 0.000 0.450 1087 K N -1.859 118.584 120.400 0.071 0.000 2.057 1087 K HA -0.079 4.267 4.320 0.043 0.000 0.206 1087 K C 1.829 178.461 176.600 0.054 0.000 1.050 1087 K CA 1.445 57.763 56.287 0.052 0.000 0.935 1087 K CB -0.340 32.194 32.500 0.058 0.000 0.715 1087 K HN 0.519 nan 8.250 nan 0.000 0.439 1088 F N 2.721 122.654 119.950 -0.028 0.000 2.126 1088 F HA -0.218 4.333 4.527 0.039 0.000 0.299 1088 F C 1.651 177.412 175.800 -0.065 0.000 1.096 1088 F CA 1.452 59.423 58.000 -0.049 0.000 1.255 1088 F CB -0.107 38.862 39.000 -0.051 0.000 0.997 1088 F HN 0.025 nan 8.300 nan 0.000 0.479 1089 N N 0.432 119.168 118.700 0.060 0.000 2.459 1089 N HA -0.127 4.638 4.740 0.043 0.000 0.181 1089 N C 1.517 176.945 175.510 -0.137 0.000 1.046 1089 N CA 0.989 54.008 53.050 -0.053 0.000 0.904 1089 N CB -0.296 38.224 38.487 0.056 0.000 0.964 1089 N HN 0.563 nan 8.380 nan 0.000 0.444 1090 Q N -0.122 119.610 119.800 -0.112 0.000 2.378 1090 Q HA 0.098 4.464 4.340 0.043 0.000 0.205 1090 Q C 0.097 175.999 176.000 -0.164 0.000 0.954 1090 Q CA 0.163 55.900 55.803 -0.109 0.000 0.901 1090 Q CB 0.491 29.193 28.738 -0.060 0.000 0.981 1090 Q HN 0.034 nan 8.270 nan 0.000 0.483 1091 V N 2.221 121.979 119.914 -0.260 0.000 2.572 1091 V HA 0.084 4.230 4.120 0.043 0.000 0.291 1091 V C 0.407 176.312 176.094 -0.315 0.000 1.039 1091 V CA 0.125 62.249 62.300 -0.293 0.000 1.055 1091 V CB 0.876 32.452 31.823 -0.413 0.000 0.969 1091 V HN 0.275 nan 8.190 nan 0.000 0.482 1092 T N 1.700 116.107 114.554 -0.246 0.000 2.863 1092 T HA 0.611 4.986 4.350 0.043 0.000 0.285 1092 T C -0.517 174.035 174.700 -0.246 0.000 1.009 1092 T CA -0.795 61.166 62.100 -0.233 0.000 0.989 1092 T CB 1.528 70.300 68.868 -0.160 0.000 1.004 1092 T HN 0.257 nan 8.240 nan 0.000 0.455 1093 V N 2.873 122.627 119.914 -0.267 0.000 2.644 1093 V HA 0.384 4.529 4.120 0.043 0.000 0.305 1093 V C 1.748 177.733 176.094 -0.183 0.000 1.053 1093 V CA 1.898 64.037 62.300 -0.268 0.000 1.186 1093 V CB 0.113 31.789 31.823 -0.245 0.000 0.895 1093 V HN 1.513 nan 8.190 nan 0.000 0.490 1094 G N 3.924 112.623 108.800 -0.167 0.000 2.213 1094 G HA2 -0.216 3.769 3.960 0.043 0.000 0.226 1094 G HA3 -0.216 3.769 3.960 0.043 0.000 0.226 1094 G C 0.190 175.051 174.900 -0.064 0.000 0.992 1094 G CA 0.037 45.080 45.100 -0.096 0.000 0.632 1094 G HN 0.534 nan 8.290 nan 0.000 0.511 1095 M N 2.504 122.054 119.600 -0.083 0.000 2.248 1095 M HA 0.355 4.861 4.480 0.043 0.000 0.337 1095 M C 1.615 177.951 176.300 0.060 0.000 1.121 1095 M CA 0.896 56.179 55.300 -0.028 0.000 1.155 1095 M CB 0.535 33.106 32.600 -0.048 0.000 1.514 1095 M HN 0.485 nan 8.290 nan 0.000 0.452 1096 T N -0.682 113.917 114.554 0.075 0.000 2.788 1096 T HA 0.196 4.572 4.350 0.043 0.000 0.287 1096 T C 1.034 175.847 174.700 0.189 0.000 1.007 1096 T CA -0.629 61.542 62.100 0.119 0.000 1.005 1096 T CB 0.928 69.824 68.868 0.047 0.000 1.012 1096 T HN 0.796 nan 8.240 nan 0.000 0.530 1097 R N 0.344 120.897 120.500 0.089 0.000 2.091 1097 R HA -0.131 4.235 4.340 0.043 0.000 0.238 1097 R C 2.533 178.834 176.300 0.001 0.000 1.136 1097 R CA 1.594 57.646 56.100 -0.081 0.000 0.959 1097 R CB -1.059 29.003 30.300 -0.396 0.000 0.856 1097 R HN 0.841 nan 8.270 nan 0.000 0.437 1098 A N 0.667 123.485 122.820 -0.003 0.000 1.902 1098 A HA -0.216 4.129 4.320 0.043 0.000 0.217 1098 A C 2.051 179.649 177.584 0.023 0.000 1.181 1098 A CA 1.481 53.521 52.037 0.006 0.000 0.623 1098 A CB -0.460 18.539 19.000 -0.000 0.000 0.818 1098 A HN 0.503 nan 8.150 nan 0.000 0.443 1099 Q N -0.609 119.210 119.800 0.032 0.000 2.124 1099 Q HA -0.103 4.262 4.340 0.043 0.000 0.202 1099 Q C 2.141 178.159 176.000 0.029 0.000 0.977 1099 Q CA 1.567 57.383 55.803 0.022 0.000 0.850 1099 Q CB -0.306 28.441 28.738 0.014 0.000 0.901 1099 Q HN 0.507 nan 8.270 nan 0.000 0.429 1100 V N 1.088 121.045 119.914 0.072 0.000 2.358 1100 V HA -0.244 3.902 4.120 0.043 0.000 0.246 1100 V C 2.155 178.290 176.094 0.068 0.000 1.047 1100 V CA 1.447 63.794 62.300 0.078 0.000 1.035 1100 V CB -0.447 31.503 31.823 0.212 0.000 0.658 1100 V HN 0.356 nan 8.190 nan 0.000 0.452 1101 L N 0.136 121.401 121.223 0.069 0.000 2.131 1101 L HA -0.133 4.232 4.340 0.043 0.000 0.210 1101 L C 2.643 179.535 176.870 0.036 0.000 1.092 1101 L CA 1.451 56.323 54.840 0.053 0.000 0.759 1101 L CB -0.727 41.353 42.059 0.037 0.000 0.903 1101 L HN 0.371 nan 8.230 nan 0.000 0.435 1102 A N -0.760 122.076 122.820 0.026 0.000 2.067 1102 A HA -0.127 4.219 4.320 0.043 0.000 0.219 1102 A C 2.289 179.881 177.584 0.013 0.000 1.158 1102 A CA 1.941 53.988 52.037 0.017 0.000 0.661 1102 A CB -0.526 18.480 19.000 0.010 0.000 0.801 1102 A HN 0.373 nan 8.150 nan 0.000 0.452 1103 T N -0.717 113.844 114.554 0.011 0.000 2.939 1103 T HA -0.005 4.370 4.350 0.043 0.000 0.254 1103 T C 1.816 176.526 174.700 0.015 0.000 1.041 1103 T CA 1.515 63.615 62.100 0.000 0.000 1.142 1103 T CB -0.242 68.612 68.868 -0.024 0.000 0.874 1103 T HN 0.576 nan 8.240 nan 0.000 0.452 1104 V N -1.020 118.912 119.914 0.030 0.000 3.608 1104 V HA 0.609 4.754 4.120 0.043 0.000 0.269 1104 V C 0.845 176.972 176.094 0.055 0.000 1.245 1104 V CA 0.300 62.630 62.300 0.050 0.000 1.138 1104 V CB -0.949 30.915 31.823 0.068 0.000 0.841 1104 V HN 0.563 nan 8.190 nan 0.000 0.451 1105 G N 0.491 109.318 108.800 0.045 0.000 3.233 1105 G HA2 -0.101 3.884 3.960 0.043 0.000 0.686 1105 G HA3 -0.101 3.884 3.960 0.043 0.000 0.686 1105 G C -0.216 174.711 174.900 0.045 0.000 1.153 1105 G CA -0.010 45.117 45.100 0.044 0.000 0.853 1105 G HN 0.127 nan 8.290 nan 0.000 0.582 1106 Q N 0.668 120.490 119.800 0.036 0.000 2.297 1106 Q HA -0.057 4.309 4.340 0.043 0.000 0.208 1106 Q C 2.208 178.230 176.000 0.037 0.000 0.981 1106 Q CA 1.921 57.745 55.803 0.034 0.000 0.876 1106 Q CB 0.050 28.803 28.738 0.025 0.000 0.921 1106 Q HN 1.234 nan 8.270 nan 0.000 0.446 1107 G N -0.833 107.990 108.800 0.039 0.000 3.575 1107 G HA2 0.130 4.116 3.960 0.043 0.000 0.273 1107 G HA3 0.130 4.116 3.960 0.043 0.000 0.273 1107 G C 0.874 175.805 174.900 0.052 0.000 1.053 1107 G CA -0.178 44.943 45.100 0.036 0.000 0.803 1107 G HN 0.137 nan 8.290 nan 0.000 0.528 1108 S N -0.362 115.382 115.700 0.073 0.000 2.524 1108 S HA 0.133 4.629 4.470 0.043 0.000 0.216 1108 S C 0.716 175.405 174.600 0.149 0.000 0.987 1108 S CA -0.106 58.159 58.200 0.108 0.000 0.909 1108 S CB 0.176 63.434 63.200 0.097 0.000 0.781 1108 S HN 0.406 nan 8.310 nan 0.000 0.521 1109 c N 1.972 120.644 118.600 0.121 0.000 2.529 1109 c HA 0.817 5.413 4.570 0.043 0.000 0.329 1109 c C 0.661 174.832 174.090 0.136 0.000 1.194 1109 c CA -0.959 55.453 56.329 0.139 0.000 1.779 1109 c CB 1.413 43.999 42.510 0.127 0.000 2.322 1109 c HN 0.508 nan 8.230 nan 0.000 0.500 1110 T N -1.427 113.229 114.554 0.171 0.000 2.907 1110 T HA 0.583 4.959 4.350 0.043 0.000 0.290 1110 T C -0.600 174.209 174.700 0.181 0.000 1.066 1110 T CA -0.396 61.783 62.100 0.133 0.000 1.012 1110 T CB 1.255 70.168 68.868 0.075 0.000 1.184 1110 T HN 0.533 nan 8.240 nan 0.000 0.522 1111 T N 2.295 116.962 114.554 0.188 0.000 2.729 1111 T HA 0.160 4.536 4.350 0.043 0.000 0.296 1111 T C -0.028 174.848 174.700 0.293 0.000 0.928 1111 T CA -0.541 61.719 62.100 0.266 0.000 1.045 1111 T CB 0.496 69.549 68.868 0.308 0.000 0.902 1111 T HN 0.675 nan 8.240 nan 0.000 0.500 1112 W N 4.297 125.670 121.300 0.121 0.000 2.480 1112 W HA 0.182 4.851 4.660 0.016 0.000 0.299 1112 W C 0.600 177.170 176.519 0.086 0.000 1.187 1112 W CA 0.455 57.832 57.345 0.052 0.000 1.347 1112 W CB -0.331 29.163 29.460 0.055 0.000 1.121 1112 W HN 0.639 nan 8.180 nan 0.000 0.533 1113 S N -0.369 115.533 115.700 0.336 0.000 2.550 1113 S HA 0.527 5.023 4.470 0.043 0.000 0.270 1113 S C -1.350 173.404 174.600 0.257 0.000 1.145 1113 S CA -0.916 57.422 58.200 0.230 0.000 0.852 1113 S CB 2.719 65.930 63.200 0.018 0.000 1.119 1113 S HN 0.153 nan 8.310 nan 0.000 0.465 1114 E N 0.748 121.136 120.200 0.313 0.000 2.291 1114 E HA 0.479 4.854 4.350 0.043 0.000 0.276 1114 E C -2.219 174.580 176.600 0.331 0.000 0.896 1114 E CA -0.655 55.909 56.400 0.274 0.000 0.774 1114 E CB 1.812 31.752 29.700 0.399 0.000 1.227 1114 E HN 0.777 nan 8.360 nan 0.000 0.413 1115 Y N 4.017 124.239 120.300 -0.130 0.000 2.457 1115 Y HA 0.441 5.019 4.550 0.046 0.000 0.343 1115 Y C -1.897 173.748 175.900 -0.424 0.000 0.994 1115 Y CA -0.862 57.184 58.100 -0.090 0.000 1.031 1115 Y CB 1.420 39.878 38.460 -0.003 0.000 1.246 1115 Y HN 0.508 nan 8.280 nan 0.000 0.449 1116 Y N 7.650 127.737 120.300 -0.355 0.000 2.854 1116 Y HA 0.307 4.885 4.550 0.047 0.000 0.330 1116 Y C -1.882 173.645 175.900 -0.621 0.000 1.037 1116 Y CA -2.393 55.460 58.100 -0.413 0.000 1.263 1116 Y CB 0.828 39.209 38.460 -0.132 0.000 1.120 1116 Y HN 0.516 nan 8.280 nan 0.000 0.532 1117 P HA -0.083 nan 4.420 nan 0.000 0.230 1117 P C 0.812 178.045 177.300 -0.111 0.000 1.158 1117 P CA 0.994 63.746 63.100 -0.580 0.000 0.769 1117 P CB 0.499 31.967 31.700 -0.387 0.000 0.807 1118 A N -1.569 121.221 122.820 -0.051 0.000 2.535 1118 A HA 0.140 4.486 4.320 0.043 0.000 0.273 1118 A C 0.234 177.851 177.584 0.056 0.000 1.267 1118 A CA -0.662 51.385 52.037 0.016 0.000 0.940 1118 A CB -1.090 17.905 19.000 -0.008 0.000 1.101 1118 A HN 0.039 nan 8.150 nan 0.000 0.521 1119 Y N 2.250 122.552 120.300 0.003 0.000 2.944 1119 Y HA 0.024 4.599 4.550 0.043 0.000 0.340 1119 Y C -0.755 175.150 175.900 0.009 0.000 1.275 1119 Y CA -0.206 57.897 58.100 0.006 0.000 1.590 1119 Y CB 0.744 39.233 38.460 0.049 0.000 1.218 1119 Y HN 0.287 nan 8.280 nan 0.000 0.576 1120 P HA -0.031 nan 4.420 nan 0.000 0.245 1120 P C 0.150 177.123 177.300 -0.545 0.000 1.206 1120 P CA 0.329 62.751 63.100 -1.131 0.000 0.781 1120 P CB 0.225 31.473 31.700 -0.753 0.000 0.994 1121 S N 0.873 116.415 115.700 -0.262 0.000 2.572 1121 S HA 0.136 4.632 4.470 0.043 0.000 0.279 1121 S C 1.324 175.877 174.600 -0.079 0.000 1.341 1121 S CA 0.227 58.339 58.200 -0.147 0.000 1.043 1121 S CB 0.272 63.425 63.200 -0.077 0.000 0.887 1121 S HN 0.268 nan 8.310 nan 0.000 0.516 1122 T N 1.763 116.292 114.554 -0.042 0.000 3.107 1122 T HA 0.434 4.810 4.350 0.043 0.000 0.249 1122 T C 0.586 175.337 174.700 0.085 0.000 1.096 1122 T CA 0.127 62.290 62.100 0.105 0.000 1.012 1122 T CB -0.243 68.664 68.868 0.064 0.000 0.977 1122 T HN 0.785 nan 8.240 nan 0.000 0.527 1123 A N 0.781 123.612 122.820 0.019 0.000 2.511 1123 A HA 0.542 4.887 4.320 0.043 0.000 0.242 1123 A C 1.681 179.255 177.584 -0.018 0.000 1.069 1123 A CA 0.212 52.249 52.037 -0.001 0.000 0.763 1123 A CB -0.992 18.002 19.000 -0.010 0.000 1.001 1123 A HN 1.425 nan 8.150 nan 0.000 0.498 1124 G N 0.918 109.702 108.800 -0.026 0.000 2.159 1124 G HA2 -0.105 3.880 3.960 0.043 0.000 0.256 1124 G HA3 -0.105 3.880 3.960 0.043 0.000 0.256 1124 G C 0.542 175.378 174.900 -0.107 0.000 0.977 1124 G CA 0.238 45.310 45.100 -0.047 0.000 0.652 1124 G HN 2.107 nan 8.290 nan 0.000 0.531 1125 V N 2.284 122.113 119.914 -0.141 0.000 2.681 1125 V HA 0.431 4.577 4.120 0.043 0.000 0.306 1125 V C 1.079 177.057 176.094 -0.192 0.000 1.077 1125 V CA 1.568 63.674 62.300 -0.324 0.000 1.224 1125 V CB 0.608 32.197 31.823 -0.391 0.000 0.879 1125 V HN 1.239 nan 8.190 nan 0.000 0.494 1126 T N 5.793 120.236 114.554 -0.186 0.000 2.859 1126 T HA 0.687 5.063 4.350 0.043 0.000 0.281 1126 T C -0.819 173.903 174.700 0.037 0.000 1.005 1126 T CA -0.837 61.272 62.100 0.014 0.000 1.025 1126 T CB 1.633 70.570 68.868 0.114 0.000 0.977 1126 T HN 0.959 nan 8.240 nan 0.000 0.458 1127 L N 1.599 122.922 121.223 0.167 0.000 2.470 1127 L HA 0.718 5.084 4.340 0.043 0.000 0.268 1127 L C -0.940 176.166 176.870 0.393 0.000 0.964 1127 L CA -0.251 54.712 54.840 0.207 0.000 0.839 1127 L CB 2.436 44.549 42.059 0.091 0.000 1.276 1127 L HN 0.807 nan 8.230 nan 0.000 0.403 1128 S N 5.308 121.228 115.700 0.367 0.000 2.449 1128 S HA 0.727 5.223 4.470 0.043 0.000 0.310 1128 S C -0.659 174.268 174.600 0.545 0.000 1.096 1128 S CA -0.500 58.012 58.200 0.519 0.000 1.095 1128 S CB 0.957 64.394 63.200 0.394 0.000 1.007 1128 S HN 0.558 nan 8.310 nan 0.000 0.474 1129 L N 2.395 123.984 121.223 0.610 0.000 2.325 1129 L HA 0.546 4.912 4.340 0.043 0.000 0.278 1129 L C 0.042 177.206 176.870 0.489 0.000 1.023 1129 L CA -0.576 54.550 54.840 0.477 0.000 0.811 1129 L CB 1.832 44.129 42.059 0.397 0.000 1.249 1129 L HN 0.489 nan 8.230 nan 0.000 0.431 1130 S N 0.958 116.835 115.700 0.295 0.000 2.437 1130 S HA 0.509 5.004 4.470 0.043 0.000 0.305 1130 S C -0.711 173.735 174.600 -0.258 0.000 1.109 1130 S CA -0.540 57.655 58.200 -0.008 0.000 1.099 1130 S CB 1.102 64.228 63.200 -0.123 0.000 1.004 1130 S HN 0.540 nan 8.310 nan 0.000 0.475 1131 c N 3.261 121.561 118.600 -0.499 0.000 2.563 1131 c HA 0.739 5.335 4.570 0.043 0.000 0.314 1131 c C -0.880 172.817 174.090 -0.654 0.000 1.199 1131 c CA -0.873 55.247 56.329 -0.348 0.000 1.564 1131 c CB 0.197 42.688 42.510 -0.031 0.000 2.173 1131 c HN 0.855 nan 8.230 nan 0.000 0.485 1132 F N 1.656 121.613 119.950 0.012 0.000 2.556 1132 F HA 0.396 4.949 4.527 0.045 0.000 0.314 1132 F C 0.376 176.187 175.800 0.018 0.000 1.106 1132 F CA -0.662 57.330 58.000 -0.014 0.000 0.911 1132 F CB 1.195 40.162 39.000 -0.054 0.000 1.190 1132 F HN 0.673 nan 8.300 nan 0.000 0.448 1133 D N 0.942 121.455 120.400 0.188 0.000 2.372 1133 D HA -0.028 4.637 4.640 0.043 0.000 0.243 1133 D C 1.258 177.637 176.300 0.133 0.000 1.297 1133 D CA -0.316 53.765 54.000 0.135 0.000 0.958 1133 D CB 0.426 41.286 40.800 0.100 0.000 1.114 1133 D HN 0.358 nan 8.370 nan 0.000 0.496 1134 V N 0.056 120.025 119.914 0.092 0.000 2.469 1134 V HA -0.190 3.956 4.120 0.043 0.000 0.251 1134 V C 0.938 177.074 176.094 0.070 0.000 1.064 1134 V CA 2.660 65.003 62.300 0.072 0.000 1.066 1134 V CB -0.815 31.040 31.823 0.053 0.000 0.667 1134 V HN 0.751 nan 8.190 nan 0.000 0.461 1135 D N -1.753 118.694 120.400 0.079 0.000 2.501 1135 D HA 0.202 4.868 4.640 0.043 0.000 0.224 1135 D C 1.623 177.979 176.300 0.094 0.000 1.202 1135 D CA 0.650 54.693 54.000 0.072 0.000 0.829 1135 D CB -0.000 40.835 40.800 0.058 0.000 1.023 1135 D HN 0.335 nan 8.370 nan 0.000 0.499 1136 G N -0.250 108.632 108.800 0.138 0.000 2.408 1136 G HA2 -0.119 3.867 3.960 0.043 0.000 0.215 1136 G HA3 -0.119 3.867 3.960 0.043 0.000 0.215 1136 G C 0.236 175.221 174.900 0.142 0.000 1.156 1136 G CA 0.020 45.241 45.100 0.202 0.000 0.793 1136 G HN 0.344 nan 8.290 nan 0.000 0.535 1137 Y N 1.473 121.631 120.300 -0.238 0.000 2.346 1137 Y HA 0.491 5.065 4.550 0.040 0.000 0.330 1137 Y C 0.008 175.779 175.900 -0.216 0.000 1.178 1137 Y CA -0.581 57.097 58.100 -0.703 0.000 1.331 1137 Y CB 1.129 38.904 38.460 -1.142 0.000 1.253 1137 Y HN 0.031 nan 8.280 nan 0.000 0.529 1138 S N 2.494 117.630 115.700 -0.939 0.000 2.546 1138 S HA 0.302 4.797 4.470 0.043 0.000 0.272 1138 S C 0.103 174.180 174.600 -0.871 0.000 1.140 1138 S CA -0.206 57.601 58.200 -0.655 0.000 0.920 1138 S CB 0.867 63.969 63.200 -0.163 0.000 1.083 1138 S HN 0.816 nan 8.310 nan 0.000 0.476 1139 S N 1.840 117.245 115.700 -0.492 0.000 2.562 1139 S HA -0.031 4.465 4.470 0.043 0.000 0.221 1139 S C 1.543 176.162 174.600 0.032 0.000 0.975 1139 S CA 0.961 59.077 58.200 -0.140 0.000 0.918 1139 S CB -0.648 62.607 63.200 0.092 0.000 0.772 1139 S HN 0.941 nan 8.310 nan 0.000 0.531 1140 T N -2.323 112.204 114.554 -0.045 0.000 3.129 1140 T HA 0.427 4.802 4.350 0.043 0.000 0.251 1140 T C 1.576 176.227 174.700 -0.082 0.000 1.117 1140 T CA 0.625 62.746 62.100 0.036 0.000 1.034 1140 T CB -0.481 68.450 68.868 0.104 0.000 0.968 1140 T HN 1.103 nan 8.240 nan 0.000 0.526 1141 G N 0.787 109.412 108.800 -0.291 0.000 2.143 1141 G HA2 -0.180 3.806 3.960 0.043 0.000 0.249 1141 G HA3 -0.180 3.806 3.960 0.043 0.000 0.249 1141 G C -0.217 174.075 174.900 -1.013 0.000 0.981 1141 G CA -0.145 44.571 45.100 -0.640 0.000 0.665 1141 G HN 0.567 nan 8.290 nan 0.000 0.528 1142 F N 0.625 120.354 119.950 -0.369 0.000 2.445 1142 F HA 0.599 5.153 4.527 0.045 0.000 0.348 1142 F C 0.540 176.246 175.800 -0.157 0.000 1.125 1142 F CA -1.191 56.620 58.000 -0.316 0.000 0.983 1142 F CB 1.048 39.962 39.000 -0.143 0.000 1.198 1142 F HN 0.111 nan 8.300 nan 0.000 0.436 1143 Y N 1.262 121.550 120.300 -0.020 0.000 2.354 1143 Y HA 0.541 5.114 4.550 0.039 0.000 0.322 1143 Y C 0.710 176.653 175.900 0.071 0.000 1.253 1143 Y CA -1.162 56.948 58.100 0.018 0.000 1.272 1143 Y CB 1.477 39.969 38.460 0.055 0.000 1.255 1143 Y HN 0.356 nan 8.280 nan 0.000 0.500 1144 R N 1.127 121.789 120.500 0.271 0.000 2.782 1144 R HA 0.392 4.758 4.340 0.043 0.000 0.293 1144 R C -1.195 175.205 176.300 0.167 0.000 1.333 1144 R CA -0.209 56.000 56.100 0.181 0.000 1.479 1144 R CB 0.400 30.775 30.300 0.125 0.000 1.306 1144 R HN 0.857 nan 8.270 nan 0.000 0.654 1145 G N 0.948 109.864 108.800 0.193 0.000 2.492 1145 G HA2 0.120 4.106 3.960 0.043 0.000 0.283 1145 G HA3 0.120 4.106 3.960 0.043 0.000 0.283 1145 G C -1.011 173.975 174.900 0.142 0.000 1.274 1145 G CA -0.246 44.940 45.100 0.143 0.000 1.215 1145 G HN 0.544 nan 8.290 nan 0.000 0.598 1146 S N -0.135 115.637 115.700 0.121 0.000 2.607 1146 S HA 1.061 5.557 4.470 0.043 0.000 0.273 1146 S C -0.181 174.463 174.600 0.073 0.000 1.148 1146 S CA -0.029 58.151 58.200 -0.035 0.000 0.833 1146 S CB 2.423 65.546 63.200 -0.129 0.000 1.130 1146 S HN 2.369 nan 8.310 nan 0.000 0.470 1147 A N 0.619 123.433 122.820 -0.010 0.000 2.587 1147 A HA 0.759 5.105 4.320 0.043 0.000 0.293 1147 A C -1.432 176.372 177.584 0.367 0.000 1.087 1147 A CA -0.674 51.472 52.037 0.182 0.000 0.692 1147 A CB 1.248 20.339 19.000 0.152 0.000 1.291 1147 A HN 1.071 nan 8.150 nan 0.000 0.407 1148 H N 1.383 120.726 119.070 0.455 0.000 2.539 1148 H HA 0.677 5.250 4.556 0.028 0.000 0.332 1148 H C -1.644 173.983 175.328 0.498 0.000 1.031 1148 H CA -0.684 55.724 56.048 0.601 0.000 1.206 1148 H CB 0.714 31.004 29.762 0.880 0.000 1.446 1148 H HN 0.527 nan 8.280 nan 0.000 0.496 1149 L N 6.298 127.762 121.223 0.401 0.000 2.356 1149 L HA 0.346 4.711 4.340 0.043 0.000 0.277 1149 L C -1.262 175.633 176.870 0.041 0.000 0.996 1149 L CA -0.935 53.894 54.840 -0.019 0.000 0.822 1149 L CB 1.250 43.330 42.059 0.035 0.000 1.256 1149 L HN 0.623 nan 8.230 nan 0.000 0.413 1150 W N 2.723 123.779 121.300 -0.406 0.000 2.819 1150 W HA 0.833 5.549 4.660 0.094 0.000 0.337 1150 W C -1.799 174.515 176.519 -0.342 0.000 1.077 1150 W CA -0.927 56.290 57.345 -0.213 0.000 1.226 1150 W CB 0.681 30.001 29.460 -0.234 0.000 1.419 1150 W HN 0.041 nan 8.180 nan 0.000 0.502 1151 F N 1.258 121.302 119.950 0.156 0.000 2.588 1151 F HA 0.739 5.292 4.527 0.044 0.000 0.314 1151 F C 0.028 175.873 175.800 0.076 0.000 1.069 1151 F CA -1.209 56.822 58.000 0.051 0.000 0.931 1151 F CB 2.681 41.696 39.000 0.025 0.000 1.260 1151 F HN 0.259 nan 8.300 nan 0.000 0.465 1152 T N 1.058 115.749 114.554 0.228 0.000 2.881 1152 T HA 0.289 4.665 4.350 0.043 0.000 0.290 1152 T C -0.981 173.777 174.700 0.097 0.000 1.000 1152 T CA -0.716 61.463 62.100 0.132 0.000 0.978 1152 T CB 1.280 70.205 68.868 0.094 0.000 0.997 1152 T HN 0.624 nan 8.240 nan 0.000 0.443 1153 D N 2.036 122.464 120.400 0.048 0.000 2.751 1153 D HA -0.195 4.471 4.640 0.043 0.000 0.233 1153 D C 1.225 177.552 176.300 0.045 0.000 1.149 1153 D CA 1.910 55.927 54.000 0.028 0.000 0.682 1153 D CB -1.166 39.648 40.800 0.023 0.000 1.068 1153 D HN 1.292 nan 8.370 nan 0.000 0.429 1154 G N -1.992 106.844 108.800 0.060 0.000 2.148 1154 G HA2 -0.280 3.706 3.960 0.043 0.000 0.254 1154 G HA3 -0.280 3.706 3.960 0.043 0.000 0.254 1154 G C 0.260 175.271 174.900 0.185 0.000 0.981 1154 G CA 0.364 45.485 45.100 0.036 0.000 0.670 1154 G HN 0.608 nan 8.290 nan 0.000 0.528 1155 V N 0.745 120.821 119.914 0.270 0.000 2.540 1155 V HA 0.635 4.781 4.120 0.043 0.000 0.302 1155 V C 0.445 176.628 176.094 0.148 0.000 1.035 1155 V CA -0.992 61.439 62.300 0.219 0.000 0.873 1155 V CB 1.832 33.701 31.823 0.077 0.000 0.992 1155 V HN 0.438 nan 8.190 nan 0.000 0.428 1156 L N 4.638 125.814 121.223 -0.078 0.000 2.462 1156 L HA 0.200 4.566 4.340 0.043 0.000 0.272 1156 L C 1.183 177.775 176.870 -0.463 0.000 1.166 1156 L CA 0.963 55.408 54.840 -0.658 0.000 0.880 1156 L CB 0.665 42.280 42.059 -0.740 0.000 1.142 1156 L HN 0.678 nan 8.230 nan 0.000 0.473 1157 Q N 4.047 123.516 119.800 -0.552 0.000 2.392 1157 Q HA 0.425 4.790 4.340 0.043 0.000 0.219 1157 Q C 0.521 176.135 176.000 -0.644 0.000 0.895 1157 Q CA 0.686 56.256 55.803 -0.389 0.000 0.929 1157 Q CB 1.090 29.775 28.738 -0.088 0.000 1.077 1157 Q HN 0.853 nan 8.270 nan 0.000 0.532 1158 G N 0.697 108.692 108.800 -1.340 0.000 2.506 1158 G HA2 0.524 4.509 3.960 0.043 0.000 0.292 1158 G HA3 0.524 4.509 3.960 0.043 0.000 0.292 1158 G C -1.732 171.954 174.900 -2.023 0.000 1.425 1158 G CA -0.755 43.375 45.100 -1.617 0.000 0.788 1158 G HN 0.028 nan 8.290 nan 0.000 0.490 1159 K N -0.993 118.594 120.400 -1.355 0.000 2.568 1159 K HA 0.829 5.175 4.320 0.043 0.000 0.273 1159 K C -1.170 175.419 176.600 -0.018 0.000 0.951 1159 K CA -1.175 54.711 56.287 -0.668 0.000 0.854 1159 K CB 2.796 34.990 32.500 -0.510 0.000 1.424 1159 K HN 0.746 nan 8.250 nan 0.000 0.427 1160 R N 1.089 121.752 120.500 0.271 0.000 2.643 1160 R HA 0.195 4.560 4.340 0.043 0.000 0.269 1160 R C -1.908 174.139 176.300 -0.422 0.000 1.037 1160 R CA -0.423 55.683 56.100 0.009 0.000 0.894 1160 R CB 2.240 32.533 30.300 -0.013 0.000 1.238 1160 R HN 0.901 nan 8.270 nan 0.000 0.459 1161 Q N 2.309 121.532 119.800 -0.961 0.000 2.389 1161 Q HA 0.529 4.895 4.340 0.043 0.000 0.277 1161 Q C -1.662 173.769 176.000 -0.948 0.000 1.082 1161 Q CA -0.708 54.515 55.803 -0.966 0.000 0.810 1161 Q CB 1.789 29.697 28.738 -1.384 0.000 1.374 1161 Q HN 0.443 nan 8.270 nan 0.000 0.422 1162 W N 1.942 123.158 121.300 -0.140 0.000 2.538 1162 W HA 0.349 5.000 4.660 -0.014 0.000 0.322 1162 W C -0.504 175.981 176.519 -0.057 0.000 1.028 1162 W CA -0.542 56.764 57.345 -0.066 0.000 1.228 1162 W CB 1.679 31.140 29.460 0.001 0.000 1.356 1162 W HN 1.010 nan 8.180 nan 0.000 0.452 1163 D N 1.277 121.743 120.400 0.110 0.000 3.041 1163 D HA -0.194 4.471 4.640 0.043 0.000 0.220 1163 D C -0.390 175.937 176.300 0.046 0.000 1.157 1163 D CA 0.796 54.850 54.000 0.089 0.000 0.876 1163 D CB -1.064 39.821 40.800 0.142 0.000 1.107 1163 D HN 0.227 nan 8.370 nan 0.000 0.422 1164 L N -0.207 121.004 121.223 -0.019 0.000 2.439 1164 L HA 0.447 4.812 4.340 0.043 0.000 0.269 1164 L C 1.327 178.192 176.870 -0.008 0.000 1.179 1164 L CA -0.476 54.351 54.840 -0.022 0.000 0.828 1164 L CB 0.954 42.961 42.059 -0.086 0.000 1.106 1164 L HN 0.045 nan 8.230 nan 0.000 0.467 1165 V N 0.000 119.923 119.914 0.015 0.000 2.409 1165 V HA 0.000 4.146 4.120 0.043 0.000 0.244 1165 V CA 0.000 62.311 62.300 0.018 0.000 1.235 1165 V CB 0.000 31.838 31.823 0.025 0.000 1.184 1165 V HN 0.000 nan 8.190 nan 0.000 0.556