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 3gvo_1_A DATA FIRST_RESID 706 DATA SEQUENCE GRSRLLEDFR NNRFPNLQLR DLIGHIVEFS QDQHGSRFIQ QKLERATPAE DATA SEQUENCE RQIVFNEILQ AAYQLMTDVF GNYVIQKFFE FGSLDQKLAL ATRIRGHVLP DATA SEQUENCE LALQMYGCRV IQKALESISS DQQXXSEMVK ELDGHVLKCV KDQNGNHVVQ DATA SEQUENCE KCIECVQPQS LQFIIDAFKG QVFVLSTHPY GCRVIQRILE HCTAEQTLPI DATA SEQUENCE LEELHQHTEQ LVQDQYGNYV IQHVLEHGRP EDKSKIVSEI RGKVLALSQH DATA SEQUENCE KFASNVVEKC VTHASRAERA LLIDEVCCQN DGPHSALYTM MKDQYANYVV DATA SEQUENCE QKMIDMAEPA QRKIIMHKIR PHITTLRKYT YGKHILAKLE KYYL 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 706 G HA2 0.000 nan 3.960 nan 0.000 0.244 706 G HA3 0.000 3.954 3.960 -0.010 0.000 0.244 706 G C 0.000 174.909 174.900 0.015 0.000 0.946 706 G CA 0.000 45.108 45.100 0.013 0.000 0.502 707 R N 1.480 121.981 120.500 0.003 0.000 2.643 707 R HA 0.418 4.752 4.340 -0.010 0.000 0.270 707 R C 1.094 177.397 176.300 0.005 0.000 1.061 707 R CA 0.463 56.559 56.100 -0.007 0.000 1.107 707 R CB 0.707 30.985 30.300 -0.036 0.000 0.999 707 R HN 0.411 nan 8.270 nan 0.000 0.460 708 S N 1.178 116.887 115.700 0.015 0.000 2.573 708 S HA -0.022 4.442 4.470 -0.010 0.000 0.277 708 S C 1.147 175.738 174.600 -0.014 0.000 1.346 708 S CA -0.563 57.645 58.200 0.014 0.000 1.034 708 S CB 1.195 64.391 63.200 -0.007 0.000 0.879 708 S HN 0.700 nan 8.310 nan 0.000 0.528 709 R N 0.691 121.190 120.500 -0.001 0.000 2.105 709 R HA -0.088 4.246 4.340 -0.010 0.000 0.239 709 R C 1.999 178.319 176.300 0.033 0.000 1.135 709 R CA 1.774 57.882 56.100 0.014 0.000 0.967 709 R CB -1.131 29.190 30.300 0.034 0.000 0.861 709 R HN 0.740 nan 8.270 nan 0.000 0.442 710 L N -0.145 121.069 121.223 -0.015 0.000 2.017 710 L HA -0.054 4.280 4.340 -0.010 0.000 0.208 710 L C 1.979 178.976 176.870 0.212 0.000 1.073 710 L CA 1.626 56.518 54.840 0.087 0.000 0.745 710 L CB -0.726 41.255 42.059 -0.129 0.000 0.894 710 L HN 0.366 nan 8.230 nan 0.000 0.432 711 L N -0.434 120.825 121.223 0.060 0.000 2.093 711 L HA -0.170 4.164 4.340 -0.010 0.000 0.208 711 L C 2.432 179.274 176.870 -0.048 0.000 1.085 711 L CA 1.988 56.706 54.840 -0.203 0.000 0.755 711 L CB -0.779 41.012 42.059 -0.447 0.000 0.904 711 L HN 0.460 nan 8.230 nan 0.000 0.435 712 E N -0.233 119.951 120.200 -0.027 0.000 2.051 712 E HA -0.236 4.108 4.350 -0.010 0.000 0.192 712 E C 1.838 178.420 176.600 -0.031 0.000 0.991 712 E CA 1.787 58.167 56.400 -0.033 0.000 0.799 712 E CB -0.253 29.429 29.700 -0.029 0.000 0.748 712 E HN 0.517 nan 8.360 nan 0.000 0.449 713 D N -0.533 119.877 120.400 0.017 0.000 2.117 713 D HA -0.162 4.472 4.640 -0.010 0.000 0.197 713 D C 1.659 177.939 176.300 -0.032 0.000 0.987 713 D CA 0.983 54.957 54.000 -0.044 0.000 0.829 713 D CB -0.443 40.369 40.800 0.021 0.000 0.961 713 D HN 0.268 nan 8.370 nan 0.000 0.460 714 F N 1.887 121.847 119.950 0.016 0.000 2.102 714 F HA -0.108 4.413 4.527 -0.010 0.000 0.298 714 F C 2.193 177.940 175.800 -0.089 0.000 1.105 714 F CA 1.394 59.401 58.000 0.012 0.000 1.239 714 F CB -0.141 38.905 39.000 0.076 0.000 0.991 714 F HN -0.212 nan 8.300 nan 0.000 0.474 715 R N 0.086 120.407 120.500 -0.298 0.000 2.152 715 R HA -0.116 4.218 4.340 -0.010 0.000 0.232 715 R C 1.029 177.110 176.300 -0.365 0.000 1.117 715 R CA 1.220 57.082 56.100 -0.398 0.000 0.981 715 R CB -0.486 29.717 30.300 -0.161 0.000 0.870 715 R HN 0.292 nan 8.270 nan 0.000 0.451 716 N N 0.999 119.534 118.700 -0.275 0.000 2.313 716 N HA 0.007 4.741 4.740 -0.010 0.000 0.207 716 N C -0.475 174.875 175.510 -0.268 0.000 1.141 716 N CA 0.165 53.072 53.050 -0.239 0.000 0.830 716 N CB 0.231 38.608 38.487 -0.183 0.000 1.008 716 N HN 0.142 nan 8.380 nan 0.000 0.481 717 N N 0.218 118.714 118.700 -0.341 0.000 2.747 717 N HA -0.222 4.512 4.740 -0.010 0.000 0.249 717 N C 0.932 176.289 175.510 -0.255 0.000 1.107 717 N CA 0.363 53.239 53.050 -0.291 0.000 0.707 717 N CB -0.920 37.427 38.487 -0.233 0.000 1.054 717 N HN 0.467 nan 8.380 nan 0.000 0.555 718 R N -0.370 119.916 120.500 -0.357 0.000 2.148 718 R HA 0.019 4.353 4.340 -0.010 0.000 0.223 718 R C -0.147 175.830 176.300 -0.538 0.000 1.088 718 R CA 1.078 56.836 56.100 -0.570 0.000 0.985 718 R CB 0.117 29.825 30.300 -0.986 0.000 0.880 718 R HN 0.066 nan 8.270 nan 0.000 0.451 719 F N 0.679 120.626 119.950 -0.006 0.000 2.550 719 F HA 0.355 4.875 4.527 -0.010 0.000 0.348 719 F C -1.702 174.134 175.800 0.059 0.000 1.219 719 F CA -2.888 55.132 58.000 0.034 0.000 1.203 719 F CB 1.851 40.885 39.000 0.057 0.000 1.436 719 F HN -0.064 nan 8.300 nan 0.000 0.541 720 P HA -0.047 nan 4.420 nan 0.000 0.230 720 P C 0.072 177.480 177.300 0.181 0.000 1.158 720 P CA 1.077 64.267 63.100 0.149 0.000 0.769 720 P CB 0.309 32.059 31.700 0.084 0.000 0.807 721 N N -0.799 118.015 118.700 0.191 0.000 2.338 721 N HA 0.148 4.882 4.740 -0.010 0.000 0.251 721 N C -0.108 175.496 175.510 0.156 0.000 1.199 721 N CA -0.450 52.693 53.050 0.155 0.000 0.879 721 N CB -0.032 38.516 38.487 0.102 0.000 1.159 721 N HN -0.011 nan 8.380 nan 0.000 0.514 722 L N 1.337 122.685 121.223 0.208 0.000 2.514 722 L HA 0.038 4.372 4.340 -0.010 0.000 0.280 722 L C -0.148 176.906 176.870 0.306 0.000 1.223 722 L CA 0.881 55.799 54.840 0.129 0.000 0.864 722 L CB 0.411 42.473 42.059 0.005 0.000 1.118 722 L HN 0.174 nan 8.230 nan 0.000 0.494 723 Q N 3.559 123.470 119.800 0.185 0.000 2.458 723 Q HA 0.308 4.642 4.340 -0.010 0.000 0.282 723 Q C 0.857 176.931 176.000 0.124 0.000 1.106 723 Q CA -0.780 55.120 55.803 0.162 0.000 0.814 723 Q CB 1.564 30.323 28.738 0.036 0.000 1.425 723 Q HN 0.667 nan 8.270 nan 0.000 0.437 724 L N 0.311 121.555 121.223 0.034 0.000 2.043 724 L HA -0.193 4.141 4.340 -0.010 0.000 0.212 724 L C 2.253 179.105 176.870 -0.030 0.000 1.075 724 L CA 1.473 56.310 54.840 -0.005 0.000 0.752 724 L CB -0.299 41.726 42.059 -0.057 0.000 0.891 724 L HN 0.478 nan 8.230 nan 0.000 0.432 725 R N -0.060 120.421 120.500 -0.031 0.000 2.159 725 R HA -0.154 4.180 4.340 -0.010 0.000 0.237 725 R C 1.533 177.797 176.300 -0.060 0.000 1.131 725 R CA 1.254 57.330 56.100 -0.040 0.000 0.982 725 R CB -0.315 29.964 30.300 -0.035 0.000 0.868 725 R HN 0.442 nan 8.270 nan 0.000 0.453 726 D N 0.388 120.739 120.400 -0.082 0.000 2.348 726 D HA -0.069 4.565 4.640 -0.010 0.000 0.216 726 D C 1.456 177.675 176.300 -0.135 0.000 0.970 726 D CA 0.761 54.686 54.000 -0.125 0.000 0.889 726 D CB 0.167 40.853 40.800 -0.190 0.000 0.912 726 D HN 0.263 nan 8.370 nan 0.000 0.524 727 L N 0.580 121.706 121.223 -0.161 0.000 2.592 727 L HA 0.180 4.513 4.340 -0.010 0.000 0.227 727 L C 0.835 177.665 176.870 -0.067 0.000 1.127 727 L CA -0.195 54.512 54.840 -0.221 0.000 0.884 727 L CB 0.044 41.865 42.059 -0.397 0.000 1.065 727 L HN -0.142 nan 8.230 nan 0.000 0.457 728 I N 1.048 121.579 120.570 -0.065 0.000 2.826 728 I HA -0.107 4.057 4.170 -0.010 0.000 0.295 728 I C 1.512 177.499 176.117 -0.217 0.000 1.213 728 I CA 1.278 62.521 61.300 -0.095 0.000 1.436 728 I CB 0.234 38.192 38.000 -0.071 0.000 1.348 728 I HN 0.392 nan 8.210 nan 0.000 0.570 729 G N 4.787 113.435 108.800 -0.253 0.000 2.258 729 G HA2 -0.243 3.711 3.960 -0.010 0.000 0.233 729 G HA3 -0.243 3.711 3.960 -0.010 0.000 0.233 729 G C 0.598 175.215 174.900 -0.471 0.000 1.006 729 G CA -0.097 44.752 45.100 -0.419 0.000 0.620 729 G HN 0.747 nan 8.290 nan 0.000 0.511 730 H N 0.098 119.178 119.070 0.018 0.000 2.662 730 H HA 0.376 4.926 4.556 -0.010 0.000 0.268 730 H C 2.077 177.488 175.328 0.137 0.000 1.152 730 H CA -0.082 56.031 56.048 0.109 0.000 1.072 730 H CB 0.266 30.142 29.762 0.191 0.000 1.660 730 H HN 0.324 nan 8.280 nan 0.000 0.584 731 I N 0.591 121.226 120.570 0.108 0.000 2.286 731 I HA -0.176 3.988 4.170 -0.010 0.000 0.245 731 I C 2.360 178.576 176.117 0.165 0.000 1.104 731 I CA 0.766 62.129 61.300 0.106 0.000 1.397 731 I CB -0.499 37.525 38.000 0.041 0.000 1.072 731 I HN 0.043 nan 8.210 nan 0.000 0.417 732 V N 0.892 120.874 119.914 0.113 0.000 2.343 732 V HA -0.266 3.848 4.120 -0.010 0.000 0.247 732 V C 2.572 178.753 176.094 0.145 0.000 1.051 732 V CA 1.848 64.210 62.300 0.103 0.000 1.036 732 V CB -0.668 31.185 31.823 0.050 0.000 0.654 732 V HN 0.455 nan 8.190 nan 0.000 0.451 733 E N -0.317 119.992 120.200 0.182 0.000 2.058 733 E HA -0.249 4.095 4.350 -0.010 0.000 0.194 733 E C 2.145 178.845 176.600 0.167 0.000 0.997 733 E CA 1.689 58.191 56.400 0.170 0.000 0.801 733 E CB -0.177 29.646 29.700 0.204 0.000 0.746 733 E HN 0.542 nan 8.360 nan 0.000 0.450 734 F N 1.019 121.007 119.950 0.064 0.000 2.134 734 F HA -0.173 4.348 4.527 -0.010 0.000 0.299 734 F C 2.786 178.625 175.800 0.065 0.000 1.097 734 F CA 1.392 59.413 58.000 0.036 0.000 1.264 734 F CB -0.413 38.591 39.000 0.007 0.000 1.001 734 F HN -0.003 nan 8.300 nan 0.000 0.479 735 S N -0.773 115.093 115.700 0.277 0.000 2.400 735 S HA -0.231 4.233 4.470 -0.010 0.000 0.232 735 S C 1.739 176.456 174.600 0.195 0.000 1.025 735 S CA 1.189 59.520 58.200 0.219 0.000 0.993 735 S CB -0.382 62.929 63.200 0.184 0.000 0.808 735 S HN 0.499 nan 8.310 nan 0.000 0.478 736 Q N 0.215 120.108 119.800 0.155 0.000 2.403 736 Q HA 0.129 4.463 4.340 -0.010 0.000 0.203 736 Q C -0.097 176.017 176.000 0.189 0.000 0.932 736 Q CA 0.078 55.979 55.803 0.163 0.000 0.945 736 Q CB 0.139 28.940 28.738 0.104 0.000 1.045 736 Q HN 0.440 nan 8.270 nan 0.000 0.511 737 D N -0.106 120.325 120.400 0.051 0.000 2.210 737 D HA -0.014 4.620 4.640 -0.010 0.000 0.249 737 D C 0.808 176.838 176.300 -0.450 0.000 1.062 737 D CA -0.121 53.797 54.000 -0.137 0.000 0.891 737 D CB 1.175 41.866 40.800 -0.182 0.000 1.186 737 D HN -0.085 nan 8.370 nan 0.000 0.432 738 Q N 1.927 121.124 119.800 -1.006 0.000 2.096 738 Q HA -0.252 4.082 4.340 -0.010 0.000 0.204 738 Q C 0.904 176.413 176.000 -0.819 0.000 0.982 738 Q CA 1.568 56.368 55.803 -1.672 0.000 0.850 738 Q CB 0.109 27.879 28.738 -1.613 0.000 0.901 738 Q HN 0.653 nan 8.270 nan 0.000 0.422 739 H N -1.769 117.172 119.070 -0.215 0.000 2.399 739 H HA 0.100 4.650 4.556 -0.010 0.000 0.300 739 H C 1.999 177.491 175.328 0.273 0.000 1.048 739 H CA 1.081 57.167 56.048 0.064 0.000 1.370 739 H CB -0.508 29.302 29.762 0.080 0.000 1.428 739 H HN 0.444 nan 8.280 nan 0.000 0.534 740 G N 0.300 109.225 108.800 0.208 0.000 2.442 740 G HA2 -0.287 3.667 3.960 -0.010 0.000 0.219 740 G HA3 -0.287 3.667 3.960 -0.010 0.000 0.219 740 G C 2.061 177.108 174.900 0.246 0.000 1.141 740 G CA 1.274 46.437 45.100 0.104 0.000 0.763 740 G HN 0.429 nan 8.290 nan 0.000 0.554 741 S N 0.012 115.798 115.700 0.143 0.000 2.356 741 S HA -0.126 4.338 4.470 -0.010 0.000 0.223 741 S C 2.380 177.079 174.600 0.165 0.000 1.032 741 S CA 1.591 59.902 58.200 0.186 0.000 1.005 741 S CB -0.296 63.035 63.200 0.218 0.000 0.867 741 S HN 0.447 nan 8.310 nan 0.000 0.449 742 R N -0.720 119.853 120.500 0.121 0.000 2.103 742 R HA -0.144 4.190 4.340 -0.010 0.000 0.242 742 R C 2.130 178.524 176.300 0.156 0.000 1.142 742 R CA 1.962 58.124 56.100 0.103 0.000 0.960 742 R CB -0.646 29.720 30.300 0.110 0.000 0.858 742 R HN 0.546 nan 8.270 nan 0.000 0.439 743 F N 1.122 121.140 119.950 0.113 0.000 2.069 743 F HA -0.216 4.305 4.527 -0.010 0.000 0.298 743 F C 1.917 177.721 175.800 0.007 0.000 1.113 743 F CA 1.824 59.865 58.000 0.069 0.000 1.214 743 F CB -0.321 38.630 39.000 -0.081 0.000 0.978 743 F HN -0.014 nan 8.300 nan 0.000 0.474 744 I N 0.142 120.731 120.570 0.030 0.000 2.226 744 I HA -0.339 3.825 4.170 -0.010 0.000 0.245 744 I C 2.429 178.473 176.117 -0.121 0.000 1.100 744 I CA 1.536 62.785 61.300 -0.084 0.000 1.374 744 I CB -0.741 37.323 38.000 0.107 0.000 1.057 744 I HN 0.302 nan 8.210 nan 0.000 0.413 745 Q N 0.383 120.170 119.800 -0.021 0.000 2.077 745 Q HA -0.301 4.033 4.340 -0.010 0.000 0.206 745 Q C 2.271 178.216 176.000 -0.092 0.000 0.989 745 Q CA 1.817 57.616 55.803 -0.008 0.000 0.853 745 Q CB -0.205 28.555 28.738 0.037 0.000 0.907 745 Q HN 0.589 nan 8.270 nan 0.000 0.418 746 Q N 0.015 119.733 119.800 -0.137 0.000 2.079 746 Q HA -0.095 4.239 4.340 -0.010 0.000 0.200 746 Q C 1.955 177.784 176.000 -0.285 0.000 0.974 746 Q CA 0.742 56.444 55.803 -0.169 0.000 0.840 746 Q CB 0.136 28.796 28.738 -0.130 0.000 0.898 746 Q HN 0.100 nan 8.270 nan 0.000 0.430 747 K N 0.659 120.816 120.400 -0.405 0.000 2.217 747 K HA -0.037 4.277 4.320 -0.010 0.000 0.202 747 K C 1.939 178.311 176.600 -0.380 0.000 1.051 747 K CA 0.687 56.713 56.287 -0.434 0.000 0.952 747 K CB -0.062 32.072 32.500 -0.609 0.000 0.736 747 K HN 0.266 nan 8.250 nan 0.000 0.453 748 L N 0.828 121.824 121.223 -0.379 0.000 2.201 748 L HA -0.172 4.162 4.340 -0.010 0.000 0.212 748 L C 1.936 178.353 176.870 -0.756 0.000 1.105 748 L CA 0.877 55.451 54.840 -0.443 0.000 0.775 748 L CB -0.258 41.574 42.059 -0.379 0.000 0.913 748 L HN 0.069 nan 8.230 nan 0.000 0.440 749 E N 0.361 120.021 120.200 -0.899 0.000 2.058 749 E HA -0.192 4.152 4.350 -0.010 0.000 0.194 749 E C 1.872 177.980 176.600 -0.819 0.000 0.997 749 E CA 1.385 56.964 56.400 -1.369 0.000 0.801 749 E CB 0.006 29.305 29.700 -0.668 0.000 0.746 749 E HN 0.339 nan 8.360 nan 0.000 0.450 750 R N -0.506 119.711 120.500 -0.470 0.000 2.437 750 R HA 0.419 4.753 4.340 -0.010 0.000 0.257 750 R C -0.022 176.143 176.300 -0.223 0.000 0.927 750 R CA 0.116 56.044 56.100 -0.286 0.000 1.078 750 R CB 0.913 31.096 30.300 -0.196 0.000 1.161 750 R HN 0.003 nan 8.270 nan 0.000 0.529 751 A N 1.987 124.653 122.820 -0.258 0.000 2.561 751 A HA 0.074 4.388 4.320 -0.010 0.000 0.234 751 A C 0.830 178.335 177.584 -0.130 0.000 1.055 751 A CA 0.167 52.096 52.037 -0.180 0.000 0.756 751 A CB 0.096 18.983 19.000 -0.189 0.000 0.986 751 A HN 0.335 nan 8.150 nan 0.000 0.505 752 T N 0.607 115.110 114.554 -0.085 0.000 2.856 752 T HA 0.291 4.635 4.350 -0.010 0.000 0.306 752 T C -1.782 172.893 174.700 -0.041 0.000 1.062 752 T CA -0.757 61.310 62.100 -0.055 0.000 1.083 752 T CB 0.351 69.196 68.868 -0.039 0.000 0.984 752 T HN 0.378 nan 8.240 nan 0.000 0.542 753 P HA -0.065 nan 4.420 nan 0.000 0.216 753 P C 1.671 178.975 177.300 0.006 0.000 1.150 753 P CA 1.531 64.626 63.100 -0.008 0.000 0.843 753 P CB -0.297 31.399 31.700 -0.007 0.000 0.787 754 A N -0.061 122.759 122.820 0.000 0.000 1.902 754 A HA -0.247 4.067 4.320 -0.010 0.000 0.217 754 A C 2.133 179.728 177.584 0.018 0.000 1.181 754 A CA 1.737 53.779 52.037 0.009 0.000 0.623 754 A CB -1.176 17.824 19.000 -0.000 0.000 0.818 754 A HN 0.195 nan 8.150 nan 0.000 0.443 755 E N -0.555 119.647 120.200 0.002 0.000 2.072 755 E HA -0.163 4.181 4.350 -0.010 0.000 0.191 755 E C 2.335 178.961 176.600 0.042 0.000 0.985 755 E CA 0.984 57.385 56.400 0.002 0.000 0.801 755 E CB -0.164 29.515 29.700 -0.035 0.000 0.750 755 E HN 0.533 nan 8.360 nan 0.000 0.452 756 R N 0.530 121.058 120.500 0.048 0.000 2.081 756 R HA -0.166 4.168 4.340 -0.010 0.000 0.235 756 R C 2.408 178.883 176.300 0.293 0.000 1.131 756 R CA 1.253 57.443 56.100 0.149 0.000 0.960 756 R CB -0.214 30.134 30.300 0.079 0.000 0.856 756 R HN 0.053 nan 8.270 nan 0.000 0.436 757 Q N 1.282 121.183 119.800 0.167 0.000 2.084 757 Q HA -0.081 4.253 4.340 -0.010 0.000 0.202 757 Q C 1.858 177.953 176.000 0.158 0.000 0.978 757 Q CA 1.490 57.389 55.803 0.160 0.000 0.844 757 Q CB -0.216 28.569 28.738 0.078 0.000 0.898 757 Q HN 0.341 nan 8.270 nan 0.000 0.426 758 I N -0.796 119.838 120.570 0.107 0.000 2.163 758 I HA -0.305 3.859 4.170 -0.010 0.000 0.243 758 I C 2.055 178.223 176.117 0.085 0.000 1.085 758 I CA 1.117 62.458 61.300 0.069 0.000 1.347 758 I CB -0.352 37.669 38.000 0.035 0.000 1.044 758 I HN 0.060 nan 8.210 nan 0.000 0.408 759 V N 0.396 120.399 119.914 0.148 0.000 2.295 759 V HA -0.325 3.789 4.120 -0.010 0.000 0.246 759 V C 2.250 178.427 176.094 0.138 0.000 1.049 759 V CA 2.070 64.480 62.300 0.184 0.000 1.024 759 V CB -0.716 31.307 31.823 0.333 0.000 0.648 759 V HN 0.351 nan 8.190 nan 0.000 0.447 760 F N 1.365 121.309 119.950 -0.011 0.000 2.161 760 F HA -0.205 4.316 4.527 -0.010 0.000 0.300 760 F C 2.408 178.085 175.800 -0.205 0.000 1.089 760 F CA 1.761 59.558 58.000 -0.339 0.000 1.282 760 F CB -0.236 38.527 39.000 -0.395 0.000 1.010 760 F HN 0.189 nan 8.300 nan 0.000 0.485 761 N N 0.620 119.313 118.700 -0.012 0.000 2.137 761 N HA -0.232 4.502 4.740 -0.010 0.000 0.190 761 N C 1.779 177.197 175.510 -0.154 0.000 1.017 761 N CA 1.773 54.780 53.050 -0.072 0.000 0.859 761 N CB -0.433 38.051 38.487 -0.005 0.000 1.002 761 N HN 0.513 nan 8.380 nan 0.000 0.428 762 E N 0.012 120.133 120.200 -0.132 0.000 2.112 762 E HA -0.018 4.326 4.350 -0.010 0.000 0.190 762 E C 1.960 178.456 176.600 -0.174 0.000 0.979 762 E CA 0.498 56.825 56.400 -0.122 0.000 0.814 762 E CB 0.105 29.765 29.700 -0.067 0.000 0.762 762 E HN 0.511 nan 8.360 nan 0.000 0.460 763 I N -1.342 119.069 120.570 -0.265 0.000 3.059 763 I HA -0.023 4.141 4.170 -0.010 0.000 0.270 763 I C 2.133 178.010 176.117 -0.399 0.000 1.238 763 I CA 0.191 61.325 61.300 -0.277 0.000 1.478 763 I CB 0.008 37.865 38.000 -0.238 0.000 1.097 763 I HN 0.017 nan 8.210 nan 0.000 0.455 764 L N 2.363 123.223 121.223 -0.605 0.000 2.042 764 L HA -0.241 4.093 4.340 -0.010 0.000 0.210 764 L C 2.848 179.545 176.870 -0.290 0.000 1.076 764 L CA 2.280 56.754 54.840 -0.610 0.000 0.749 764 L CB -0.903 40.727 42.059 -0.716 0.000 0.893 764 L HN 0.583 nan 8.230 nan 0.000 0.432 765 Q N -0.939 118.736 119.800 -0.208 0.000 2.226 765 Q HA -0.102 4.232 4.340 -0.010 0.000 0.204 765 Q C 1.441 177.391 176.000 -0.083 0.000 0.975 765 Q CA 1.487 57.219 55.803 -0.118 0.000 0.866 765 Q CB -0.429 28.255 28.738 -0.090 0.000 0.915 765 Q HN 0.515 nan 8.270 nan 0.000 0.440 766 A N 0.116 122.879 122.820 -0.095 0.000 2.500 766 A HA 0.613 4.927 4.320 -0.010 0.000 0.267 766 A C 1.867 179.430 177.584 -0.035 0.000 1.290 766 A CA 0.366 52.376 52.037 -0.045 0.000 0.928 766 A CB -0.001 18.978 19.000 -0.036 0.000 1.066 766 A HN 0.435 nan 8.150 nan 0.000 0.516 767 A N -0.563 122.218 122.820 -0.064 0.000 1.908 767 A HA -0.158 4.156 4.320 -0.010 0.000 0.218 767 A C 1.937 179.528 177.584 0.013 0.000 1.181 767 A CA 1.756 53.759 52.037 -0.056 0.000 0.627 767 A CB -0.767 18.175 19.000 -0.097 0.000 0.818 767 A HN 0.699 nan 8.150 nan 0.000 0.445 768 Y N 0.147 120.416 120.300 -0.052 0.000 2.145 768 Y HA -0.257 4.287 4.550 -0.010 0.000 0.286 768 Y C 2.697 178.573 175.900 -0.039 0.000 1.145 768 Y CA 2.347 60.418 58.100 -0.049 0.000 1.148 768 Y CB -0.316 38.084 38.460 -0.101 0.000 0.981 768 Y HN 0.517 nan 8.280 nan 0.000 0.507 769 Q N 0.134 120.019 119.800 0.142 0.000 2.077 769 Q HA -0.238 4.096 4.340 -0.010 0.000 0.206 769 Q C 2.078 178.069 176.000 -0.015 0.000 0.989 769 Q CA 2.384 58.229 55.803 0.069 0.000 0.853 769 Q CB -0.368 28.403 28.738 0.055 0.000 0.907 769 Q HN 0.628 nan 8.270 nan 0.000 0.418 770 L N -0.189 121.020 121.223 -0.022 0.000 2.156 770 L HA -0.135 4.199 4.340 -0.010 0.000 0.208 770 L C 2.592 179.425 176.870 -0.061 0.000 1.095 770 L CA 0.753 55.578 54.840 -0.026 0.000 0.770 770 L CB -0.284 41.777 42.059 0.003 0.000 0.914 770 L HN 0.361 nan 8.230 nan 0.000 0.439 771 M N -0.527 119.008 119.600 -0.108 0.000 2.346 771 M HA -0.133 4.341 4.480 -0.010 0.000 0.263 771 M C 1.646 177.860 176.300 -0.144 0.000 1.064 771 M CA 1.904 57.123 55.300 -0.135 0.000 1.083 771 M CB -0.538 31.932 32.600 -0.216 0.000 1.399 771 M HN 0.376 nan 8.290 nan 0.000 0.435 772 T N -4.026 110.433 114.554 -0.158 0.000 3.176 772 T HA 0.191 4.535 4.350 -0.010 0.000 0.263 772 T C -0.329 174.401 174.700 0.050 0.000 1.021 772 T CA -0.534 61.538 62.100 -0.047 0.000 0.905 772 T CB -0.269 68.535 68.868 -0.106 0.000 1.057 772 T HN 0.118 nan 8.240 nan 0.000 0.558 773 D N 0.366 120.714 120.400 -0.088 0.000 2.168 773 D HA 0.349 4.983 4.640 -0.010 0.000 0.246 773 D C 1.318 177.210 176.300 -0.679 0.000 1.050 773 D CA -0.558 53.293 54.000 -0.248 0.000 0.857 773 D CB 2.027 42.745 40.800 -0.136 0.000 1.169 773 D HN -0.117 nan 8.370 nan 0.000 0.453 774 V N 4.237 123.474 119.914 -1.127 0.000 2.380 774 V HA -0.211 3.903 4.120 -0.010 0.000 0.251 774 V C 1.036 176.433 176.094 -1.163 0.000 1.063 774 V CA 1.936 63.176 62.300 -1.767 0.000 1.055 774 V CB -0.533 30.419 31.823 -1.452 0.000 0.657 774 V HN 0.691 nan 8.190 nan 0.000 0.455 775 F N -0.315 119.466 119.950 -0.281 0.000 2.653 775 F HA 0.354 4.875 4.527 -0.010 0.000 0.288 775 F C 2.301 178.123 175.800 0.038 0.000 1.121 775 F CA 0.560 58.560 58.000 0.000 0.000 1.384 775 F CB -0.445 38.582 39.000 0.045 0.000 1.115 775 F HN 0.199 nan 8.300 nan 0.000 0.599 776 G N 1.003 109.848 108.800 0.076 0.000 2.484 776 G HA2 -0.283 3.671 3.960 -0.010 0.000 0.218 776 G HA3 -0.283 3.671 3.960 -0.010 0.000 0.218 776 G C 1.255 176.184 174.900 0.047 0.000 1.130 776 G CA 1.051 46.207 45.100 0.093 0.000 0.784 776 G HN 0.496 nan 8.290 nan 0.000 0.543 777 N N -0.555 118.080 118.700 -0.109 0.000 2.223 777 N HA -0.177 4.557 4.740 -0.010 0.000 0.185 777 N C 1.740 177.235 175.510 -0.026 0.000 1.016 777 N CA 1.215 54.198 53.050 -0.111 0.000 0.863 777 N CB -0.646 37.715 38.487 -0.210 0.000 0.983 777 N HN 0.477 nan 8.380 nan 0.000 0.429 778 Y N -0.045 120.319 120.300 0.107 0.000 2.293 778 Y HA -0.030 4.514 4.550 -0.010 0.000 0.291 778 Y C 2.296 178.288 175.900 0.152 0.000 1.137 778 Y CA 0.554 58.730 58.100 0.127 0.000 1.202 778 Y CB 0.005 38.543 38.460 0.131 0.000 0.990 778 Y HN 0.003 nan 8.280 nan 0.000 0.537 779 V N -0.120 119.987 119.914 0.322 0.000 2.358 779 V HA -0.274 3.840 4.120 -0.010 0.000 0.246 779 V C 2.138 178.448 176.094 0.361 0.000 1.047 779 V CA 1.236 63.717 62.300 0.301 0.000 1.035 779 V CB -0.456 31.537 31.823 0.283 0.000 0.658 779 V HN 0.358 nan 8.190 nan 0.000 0.452 780 I N -0.008 120.738 120.570 0.292 0.000 2.226 780 I HA -0.251 3.913 4.170 -0.010 0.000 0.245 780 I C 2.597 178.934 176.117 0.366 0.000 1.100 780 I CA 1.536 63.020 61.300 0.307 0.000 1.374 780 I CB -1.444 36.678 38.000 0.203 0.000 1.057 780 I HN 0.439 nan 8.210 nan 0.000 0.413 781 Q N 0.563 120.558 119.800 0.325 0.000 2.112 781 Q HA -0.220 4.114 4.340 -0.010 0.000 0.206 781 Q C 2.140 178.308 176.000 0.280 0.000 0.987 781 Q CA 1.348 57.348 55.803 0.329 0.000 0.858 781 Q CB -0.152 28.729 28.738 0.238 0.000 0.905 781 Q HN 0.418 nan 8.270 nan 0.000 0.420 782 K N -0.036 120.504 120.400 0.234 0.000 2.283 782 K HA -0.087 4.227 4.320 -0.010 0.000 0.202 782 K C 1.739 178.368 176.600 0.047 0.000 1.048 782 K CA 0.844 57.225 56.287 0.156 0.000 0.948 782 K CB -0.114 32.475 32.500 0.147 0.000 0.742 782 K HN 0.193 nan 8.250 nan 0.000 0.458 783 F N -0.205 119.822 119.950 0.128 0.000 2.259 783 F HA -0.058 4.463 4.527 -0.010 0.000 0.298 783 F C 1.952 177.689 175.800 -0.105 0.000 1.088 783 F CA 0.895 58.901 58.000 0.010 0.000 1.358 783 F CB -0.377 38.618 39.000 -0.007 0.000 1.040 783 F HN -0.075 nan 8.300 nan 0.000 0.505 784 F N 0.086 120.146 119.950 0.184 0.000 2.234 784 F HA -0.149 4.372 4.527 -0.010 0.000 0.299 784 F C 2.469 178.242 175.800 -0.045 0.000 1.087 784 F CA 1.361 59.402 58.000 0.069 0.000 1.340 784 F CB -0.359 38.672 39.000 0.052 0.000 1.031 784 F HN -0.022 nan 8.300 nan 0.000 0.500 785 E N -0.330 119.893 120.200 0.037 0.000 2.072 785 E HA -0.146 4.197 4.350 -0.010 0.000 0.190 785 E C 1.295 177.588 176.600 -0.512 0.000 0.982 785 E CA 1.264 57.478 56.400 -0.311 0.000 0.803 785 E CB -0.046 29.351 29.700 -0.505 0.000 0.755 785 E HN 0.432 nan 8.360 nan 0.000 0.453 786 F N -0.447 119.473 119.950 -0.050 0.000 2.706 786 F HA 0.330 4.851 4.527 -0.010 0.000 0.313 786 F C 1.027 176.763 175.800 -0.107 0.000 1.096 786 F CA -0.335 57.605 58.000 -0.100 0.000 1.219 786 F CB 1.066 39.962 39.000 -0.172 0.000 1.051 786 F HN -0.034 nan 8.300 nan 0.000 0.568 787 G N 0.600 109.437 108.800 0.062 0.000 2.572 787 G HA2 0.331 4.284 3.960 -0.010 0.000 0.261 787 G HA3 0.331 4.284 3.960 -0.010 0.000 0.261 787 G C 0.105 175.007 174.900 0.004 0.000 1.197 787 G CA -0.278 44.858 45.100 0.060 0.000 0.870 787 G HN 0.189 nan 8.290 nan 0.000 0.548 788 S N -0.079 115.595 115.700 -0.043 0.000 2.600 788 S HA 0.132 4.596 4.470 -0.010 0.000 0.265 788 S C 1.571 176.127 174.600 -0.073 0.000 1.325 788 S CA -0.651 57.515 58.200 -0.057 0.000 1.002 788 S CB 0.883 64.036 63.200 -0.079 0.000 0.921 788 S HN 0.418 nan 8.310 nan 0.000 0.554 789 L N 0.342 121.540 121.223 -0.042 0.000 2.083 789 L HA -0.114 4.220 4.340 -0.010 0.000 0.209 789 L C 2.344 179.182 176.870 -0.054 0.000 1.083 789 L CA 1.404 56.227 54.840 -0.028 0.000 0.752 789 L CB -0.656 41.398 42.059 -0.008 0.000 0.899 789 L HN 0.724 nan 8.230 nan 0.000 0.433 790 D N -0.189 120.163 120.400 -0.079 0.000 2.117 790 D HA -0.203 4.431 4.640 -0.010 0.000 0.197 790 D C 2.245 178.441 176.300 -0.174 0.000 0.987 790 D CA 1.302 55.247 54.000 -0.092 0.000 0.829 790 D CB 0.003 40.753 40.800 -0.083 0.000 0.961 790 D HN 0.457 nan 8.370 nan 0.000 0.460 791 Q N 0.427 120.018 119.800 -0.347 0.000 2.079 791 Q HA -0.086 4.248 4.340 -0.010 0.000 0.200 791 Q C 2.172 177.936 176.000 -0.394 0.000 0.974 791 Q CA 0.959 56.316 55.803 -0.743 0.000 0.840 791 Q CB 0.116 28.228 28.738 -1.042 0.000 0.898 791 Q HN 0.198 nan 8.270 nan 0.000 0.430 792 K N 0.459 120.719 120.400 -0.233 0.000 2.097 792 K HA -0.112 4.201 4.320 -0.010 0.000 0.206 792 K C 2.082 178.694 176.600 0.020 0.000 1.049 792 K CA 0.858 57.069 56.287 -0.128 0.000 0.933 792 K CB -0.116 32.411 32.500 0.045 0.000 0.717 792 K HN 0.177 nan 8.250 nan 0.000 0.442 793 L N 0.615 121.844 121.223 0.011 0.000 2.012 793 L HA -0.251 4.083 4.340 -0.010 0.000 0.210 793 L C 2.608 179.519 176.870 0.069 0.000 1.073 793 L CA 1.380 56.248 54.840 0.047 0.000 0.748 793 L CB -0.578 41.494 42.059 0.022 0.000 0.891 793 L HN 0.231 nan 8.230 nan 0.000 0.431 794 A N -0.090 122.770 122.820 0.066 0.000 1.877 794 A HA -0.169 4.145 4.320 -0.010 0.000 0.216 794 A C 2.212 179.883 177.584 0.145 0.000 1.186 794 A CA 1.438 53.556 52.037 0.134 0.000 0.620 794 A CB -0.718 18.443 19.000 0.268 0.000 0.822 794 A HN 0.369 nan 8.150 nan 0.000 0.443 795 L N -0.801 120.500 121.223 0.131 0.000 2.046 795 L HA -0.187 4.147 4.340 -0.010 0.000 0.208 795 L C 3.073 180.085 176.870 0.235 0.000 1.077 795 L CA 1.037 55.950 54.840 0.122 0.000 0.747 795 L CB -0.579 41.405 42.059 -0.125 0.000 0.896 795 L HN 0.439 nan 8.230 nan 0.000 0.432 796 A N -0.438 122.534 122.820 0.254 0.000 1.972 796 A HA -0.184 4.130 4.320 -0.010 0.000 0.219 796 A C 2.358 180.041 177.584 0.165 0.000 1.169 796 A CA 2.215 54.397 52.037 0.242 0.000 0.635 796 A CB -0.819 18.301 19.000 0.200 0.000 0.810 796 A HN 0.383 nan 8.150 nan 0.000 0.446 797 T N -0.215 114.421 114.554 0.136 0.000 2.746 797 T HA -0.110 4.234 4.350 -0.010 0.000 0.267 797 T C 2.047 176.825 174.700 0.131 0.000 1.039 797 T CA 1.329 63.493 62.100 0.107 0.000 1.142 797 T CB -0.199 68.719 68.868 0.083 0.000 0.866 797 T HN 0.362 nan 8.240 nan 0.000 0.444 798 R N 0.751 121.345 120.500 0.157 0.000 2.148 798 R HA 0.192 4.526 4.340 -0.010 0.000 0.223 798 R C 2.278 178.764 176.300 0.310 0.000 1.088 798 R CA 0.691 56.909 56.100 0.197 0.000 0.985 798 R CB -0.797 29.601 30.300 0.163 0.000 0.880 798 R HN 0.455 nan 8.270 nan 0.000 0.451 799 I N 0.309 121.041 120.570 0.270 0.000 2.500 799 I HA -0.090 4.074 4.170 -0.010 0.000 0.252 799 I C 1.183 177.434 176.117 0.222 0.000 1.142 799 I CA 0.123 61.595 61.300 0.288 0.000 1.451 799 I CB -0.071 38.060 38.000 0.218 0.000 1.093 799 I HN -0.022 nan 8.210 nan 0.000 0.430 800 R N 1.296 121.874 120.500 0.129 0.000 2.494 800 R HA -0.006 4.328 4.340 -0.010 0.000 0.291 800 R C 1.117 177.321 176.300 -0.160 0.000 0.953 800 R CA 1.178 57.286 56.100 0.013 0.000 1.098 800 R CB 0.048 30.358 30.300 0.017 0.000 0.911 800 R HN 0.472 nan 8.270 nan 0.000 0.407 801 G N 3.237 111.916 108.800 -0.202 0.000 2.179 801 G HA2 -0.268 3.686 3.960 -0.010 0.000 0.260 801 G HA3 -0.268 3.686 3.960 -0.010 0.000 0.260 801 G C 0.281 174.877 174.900 -0.507 0.000 0.977 801 G CA 0.397 45.278 45.100 -0.366 0.000 0.641 801 G HN 0.799 nan 8.290 nan 0.000 0.533 802 H N -0.876 118.229 119.070 0.059 0.000 2.767 802 H HA 0.381 4.931 4.556 -0.010 0.000 0.260 802 H C 2.061 177.445 175.328 0.093 0.000 1.172 802 H CA 0.402 56.510 56.048 0.100 0.000 1.048 802 H CB 0.224 30.125 29.762 0.232 0.000 1.697 802 H HN 0.256 nan 8.280 nan 0.000 0.606 803 V N 0.981 120.959 119.914 0.107 0.000 2.343 803 V HA -0.240 3.874 4.120 -0.010 0.000 0.247 803 V C 2.502 178.622 176.094 0.044 0.000 1.051 803 V CA 1.456 63.800 62.300 0.073 0.000 1.036 803 V CB -0.414 31.433 31.823 0.041 0.000 0.654 803 V HN 0.218 nan 8.190 nan 0.000 0.451 804 L N 1.668 122.896 121.223 0.008 0.000 1.976 804 L HA -0.057 4.277 4.340 -0.010 0.000 0.209 804 L C 0.126 176.982 176.870 -0.024 0.000 1.071 804 L CA 2.511 57.321 54.840 -0.051 0.000 0.746 804 L CB -1.775 40.170 42.059 -0.191 0.000 0.890 804 L HN 0.265 nan 8.230 nan 0.000 0.432 805 P HA -0.182 nan 4.420 nan 0.000 0.218 805 P C 2.177 179.504 177.300 0.045 0.000 1.148 805 P CA 1.642 64.770 63.100 0.047 0.000 0.822 805 P CB -0.070 31.698 31.700 0.114 0.000 0.784 806 L N -0.432 120.832 121.223 0.068 0.000 2.046 806 L HA -0.123 4.211 4.340 -0.010 0.000 0.208 806 L C 2.762 179.612 176.870 -0.033 0.000 1.077 806 L CA 1.603 56.440 54.840 -0.005 0.000 0.747 806 L CB -1.210 40.847 42.059 -0.002 0.000 0.896 806 L HN -0.061 nan 8.230 nan 0.000 0.432 807 A N -0.168 122.642 122.820 -0.017 0.000 1.972 807 A HA -0.110 4.204 4.320 -0.010 0.000 0.219 807 A C 2.106 179.664 177.584 -0.043 0.000 1.169 807 A CA 1.256 53.277 52.037 -0.028 0.000 0.635 807 A CB -0.556 18.437 19.000 -0.012 0.000 0.810 807 A HN 0.417 nan 8.150 nan 0.000 0.446 808 L N -0.727 120.469 121.223 -0.045 0.000 2.591 808 L HA 0.070 4.404 4.340 -0.010 0.000 0.228 808 L C 1.137 177.959 176.870 -0.080 0.000 1.133 808 L CA -0.037 54.769 54.840 -0.056 0.000 0.880 808 L CB -0.054 41.978 42.059 -0.044 0.000 1.033 808 L HN 0.386 nan 8.230 nan 0.000 0.450 809 Q N 0.477 120.220 119.800 -0.094 0.000 2.230 809 Q HA 0.110 4.444 4.340 -0.010 0.000 0.253 809 Q C 0.722 176.579 176.000 -0.239 0.000 0.919 809 Q CA -0.171 55.547 55.803 -0.141 0.000 0.908 809 Q CB 2.221 30.896 28.738 -0.106 0.000 1.245 809 Q HN 0.153 nan 8.270 nan 0.000 0.437 810 M N 3.473 122.829 119.600 -0.407 0.000 2.149 810 M HA -0.215 4.259 4.480 -0.010 0.000 0.261 810 M C 0.293 176.162 176.300 -0.718 0.000 1.064 810 M CA 2.004 56.921 55.300 -0.638 0.000 1.102 810 M CB 0.122 32.141 32.600 -0.969 0.000 1.369 810 M HN 0.713 nan 8.290 nan 0.000 0.408 811 Y N -2.133 118.076 120.300 -0.151 0.000 2.500 811 Y HA 0.306 4.850 4.550 -0.010 0.000 0.284 811 Y C 2.396 178.191 175.900 -0.175 0.000 1.118 811 Y CA 0.265 58.245 58.100 -0.199 0.000 1.241 811 Y CB -0.800 37.516 38.460 -0.240 0.000 1.171 811 Y HN 0.233 nan 8.280 nan 0.000 0.540 812 G N 0.339 109.094 108.800 -0.076 0.000 2.450 812 G HA2 -0.312 3.642 3.960 -0.010 0.000 0.220 812 G HA3 -0.312 3.642 3.960 -0.010 0.000 0.220 812 G C 1.668 176.518 174.900 -0.083 0.000 1.130 812 G CA 1.318 46.358 45.100 -0.100 0.000 0.760 812 G HN 0.623 nan 8.290 nan 0.000 0.557 813 C N 0.064 119.308 119.300 -0.094 0.000 2.422 813 C HA 0.189 4.643 4.460 -0.010 0.000 0.279 813 C C 2.685 177.633 174.990 -0.069 0.000 1.305 813 C CA 0.468 59.443 59.018 -0.071 0.000 1.757 813 C CB -0.697 27.006 27.740 -0.060 0.000 1.962 813 C HN 0.256 nan 8.230 nan 0.000 0.499 814 R N 1.398 121.851 120.500 -0.078 0.000 2.119 814 R HA 0.098 4.432 4.340 -0.010 0.000 0.222 814 R C 2.326 178.598 176.300 -0.048 0.000 1.088 814 R CA 1.079 57.139 56.100 -0.066 0.000 0.984 814 R CB -1.326 28.933 30.300 -0.068 0.000 0.884 814 R HN 0.569 nan 8.270 nan 0.000 0.447 815 V N 1.719 121.611 119.914 -0.037 0.000 2.295 815 V HA -0.211 3.903 4.120 -0.010 0.000 0.246 815 V C 2.393 178.419 176.094 -0.114 0.000 1.049 815 V CA 1.404 63.699 62.300 -0.009 0.000 1.024 815 V CB -0.418 31.431 31.823 0.044 0.000 0.648 815 V HN 0.091 nan 8.190 nan 0.000 0.447 816 I N -0.008 120.501 120.570 -0.101 0.000 2.208 816 I HA -0.278 3.886 4.170 -0.010 0.000 0.245 816 I C 2.606 178.624 176.117 -0.165 0.000 1.097 816 I CA 1.661 62.881 61.300 -0.133 0.000 1.363 816 I CB -1.384 36.575 38.000 -0.069 0.000 1.051 816 I HN 0.452 nan 8.210 nan 0.000 0.413 817 Q N 0.408 120.138 119.800 -0.116 0.000 2.061 817 Q HA -0.272 4.062 4.340 -0.010 0.000 0.204 817 Q C 2.266 178.180 176.000 -0.143 0.000 0.984 817 Q CA 1.979 57.719 55.803 -0.105 0.000 0.846 817 Q CB -0.176 28.521 28.738 -0.067 0.000 0.902 817 Q HN 0.268 nan 8.270 nan 0.000 0.421 818 K N 0.535 120.844 120.400 -0.152 0.000 2.097 818 K HA -0.072 4.242 4.320 -0.010 0.000 0.205 818 K C 1.816 178.209 176.600 -0.345 0.000 1.050 818 K CA 1.134 57.329 56.287 -0.153 0.000 0.938 818 K CB -0.324 32.156 32.500 -0.034 0.000 0.718 818 K HN 0.212 nan 8.250 nan 0.000 0.442 819 A N 0.765 123.172 122.820 -0.688 0.000 1.883 819 A HA -0.156 4.158 4.320 -0.010 0.000 0.217 819 A C 2.123 179.440 177.584 -0.445 0.000 1.186 819 A CA 1.716 53.096 52.037 -1.096 0.000 0.624 819 A CB -0.804 17.520 19.000 -1.126 0.000 0.822 819 A HN 0.322 nan 8.150 nan 0.000 0.444 820 L N -0.720 120.334 121.223 -0.282 0.000 2.131 820 L HA -0.202 4.132 4.340 -0.010 0.000 0.210 820 L C 2.404 179.201 176.870 -0.123 0.000 1.092 820 L CA 1.518 56.262 54.840 -0.159 0.000 0.759 820 L CB -0.557 41.429 42.059 -0.121 0.000 0.903 820 L HN 0.486 nan 8.230 nan 0.000 0.435 821 E N -0.753 119.369 120.200 -0.129 0.000 2.347 821 E HA -0.085 4.259 4.350 -0.010 0.000 0.196 821 E C 1.765 178.326 176.600 -0.064 0.000 1.008 821 E CA 0.976 57.324 56.400 -0.087 0.000 0.852 821 E CB 0.170 29.823 29.700 -0.079 0.000 0.783 821 E HN 0.387 nan 8.360 nan 0.000 0.505 822 S N 0.115 115.774 115.700 -0.068 0.000 2.549 822 S HA 0.169 4.633 4.470 -0.010 0.000 0.225 822 S C 0.815 175.443 174.600 0.047 0.000 1.039 822 S CA -0.377 57.828 58.200 0.009 0.000 0.942 822 S CB 0.450 63.714 63.200 0.106 0.000 0.881 822 S HN 0.228 nan 8.310 nan 0.000 0.503 823 I N 0.226 120.804 120.570 0.014 0.000 3.076 823 I HA 0.690 4.854 4.170 -0.010 0.000 0.313 823 I C 0.288 176.418 176.117 0.022 0.000 1.053 823 I CA -1.056 60.273 61.300 0.048 0.000 1.048 823 I CB 1.415 39.447 38.000 0.053 0.000 1.264 823 I HN 0.071 nan 8.210 nan 0.000 0.498 824 S N 1.228 116.946 115.700 0.031 0.000 2.608 824 S HA 0.096 4.560 4.470 -0.010 0.000 0.261 824 S C 1.221 175.828 174.600 0.012 0.000 1.314 824 S CA -0.017 58.195 58.200 0.019 0.000 0.992 824 S CB 1.212 64.426 63.200 0.023 0.000 0.935 824 S HN 0.890 nan 8.310 nan 0.000 0.564 825 S N 0.521 116.226 115.700 0.008 0.000 2.382 825 S HA -0.162 4.302 4.470 -0.010 0.000 0.228 825 S C 1.058 175.664 174.600 0.011 0.000 1.027 825 S CA 1.305 59.509 58.200 0.006 0.000 0.991 825 S CB -0.853 62.351 63.200 0.006 0.000 0.823 825 S HN 0.772 nan 8.310 nan 0.000 0.469 826 D N 1.656 122.064 120.400 0.014 0.000 2.144 826 D HA -0.040 4.594 4.640 -0.010 0.000 0.200 826 D C 2.278 178.589 176.300 0.018 0.000 0.978 826 D CA 1.108 55.117 54.000 0.015 0.000 0.833 826 D CB -0.470 40.339 40.800 0.014 0.000 0.961 826 D HN 0.587 nan 8.370 nan 0.000 0.470 827 Q N 0.308 120.122 119.800 0.023 0.000 2.084 827 Q HA -0.085 4.249 4.340 -0.010 0.000 0.202 827 Q C 0.997 177.008 176.000 0.019 0.000 0.978 827 Q CA 0.807 56.627 55.803 0.029 0.000 0.844 827 Q CB 0.060 28.826 28.738 0.046 0.000 0.898 827 Q HN 0.416 nan 8.270 nan 0.000 0.426 832 E N 1.662 121.872 120.200 0.016 0.000 2.110 832 E HA -0.068 4.276 4.350 -0.010 0.000 0.193 832 E C 1.917 178.522 176.600 0.008 0.000 0.988 832 E CA 1.235 57.638 56.400 0.005 0.000 0.804 832 E CB -0.113 29.593 29.700 0.010 0.000 0.745 832 E HN 0.507 nan 8.360 nan 0.000 0.458 833 M N 0.458 120.069 119.600 0.019 0.000 2.077 833 M HA -0.154 4.320 4.480 -0.010 0.000 0.261 833 M C 2.368 178.692 176.300 0.040 0.000 1.070 833 M CA 1.735 57.048 55.300 0.023 0.000 1.125 833 M CB 0.014 32.621 32.600 0.012 0.000 1.339 833 M HN 0.217 nan 8.290 nan 0.000 0.409 834 V N -0.504 119.451 119.914 0.069 0.000 2.626 834 V HA -0.212 3.902 4.120 -0.010 0.000 0.252 834 V C 1.967 178.162 176.094 0.167 0.000 1.067 834 V CA 1.956 64.350 62.300 0.157 0.000 1.081 834 V CB -1.579 30.365 31.823 0.202 0.000 0.686 834 V HN 0.636 nan 8.190 nan 0.000 0.468 835 K N 0.801 121.203 120.400 0.003 0.000 2.280 835 K HA -0.164 4.150 4.320 -0.010 0.000 0.202 835 K C 1.736 178.221 176.600 -0.192 0.000 1.047 835 K CA 1.929 58.070 56.287 -0.243 0.000 0.942 835 K CB -0.509 31.869 32.500 -0.203 0.000 0.739 835 K HN 0.591 nan 8.250 nan 0.000 0.457 836 E N 0.996 121.167 120.200 -0.047 0.000 2.338 836 E HA -0.071 4.273 4.350 -0.010 0.000 0.197 836 E C 1.567 178.211 176.600 0.074 0.000 1.007 836 E CA 0.633 57.031 56.400 -0.004 0.000 0.849 836 E CB -0.077 29.625 29.700 0.003 0.000 0.774 836 E HN 0.434 nan 8.360 nan 0.000 0.506 837 L N 0.841 122.135 121.223 0.118 0.000 2.558 837 L HA 0.050 4.384 4.340 -0.010 0.000 0.225 837 L C 0.764 177.814 176.870 0.299 0.000 1.128 837 L CA -0.251 54.745 54.840 0.260 0.000 0.868 837 L CB -0.222 42.026 42.059 0.315 0.000 1.006 837 L HN -0.027 nan 8.230 nan 0.000 0.454 838 D N 0.990 121.375 120.400 -0.023 0.000 2.487 838 D HA 0.217 4.851 4.640 -0.010 0.000 0.243 838 D C 1.233 177.469 176.300 -0.106 0.000 1.154 838 D CA 1.446 55.340 54.000 -0.178 0.000 0.876 838 D CB 0.813 41.297 40.800 -0.527 0.000 1.161 838 D HN 0.297 nan 8.370 nan 0.000 0.478 839 G N 3.873 112.602 108.800 -0.118 0.000 2.176 839 G HA2 -0.232 3.722 3.960 -0.010 0.000 0.232 839 G HA3 -0.232 3.722 3.960 -0.010 0.000 0.232 839 G C 0.697 175.268 174.900 -0.547 0.000 0.986 839 G CA 0.248 45.131 45.100 -0.362 0.000 0.643 839 G HN 0.676 nan 8.290 nan 0.000 0.522 840 H N -0.840 118.273 119.070 0.072 0.000 3.007 840 H HA 0.348 4.898 4.556 -0.010 0.000 0.251 840 H C 1.967 177.331 175.328 0.061 0.000 1.188 840 H CA 0.459 56.537 56.048 0.050 0.000 1.017 840 H CB 0.319 30.106 29.762 0.042 0.000 1.805 840 H HN 0.236 nan 8.280 nan 0.000 0.659 841 V N 1.162 121.174 119.914 0.164 0.000 2.261 841 V HA -0.243 3.871 4.120 -0.010 0.000 0.246 841 V C 2.560 178.679 176.094 0.040 0.000 1.047 841 V CA 1.591 63.974 62.300 0.139 0.000 1.015 841 V CB -0.393 31.525 31.823 0.158 0.000 0.642 841 V HN 0.295 nan 8.190 nan 0.000 0.446 842 L N -0.111 121.099 121.223 -0.022 0.000 2.083 842 L HA -0.202 4.132 4.340 -0.010 0.000 0.209 842 L C 2.551 179.360 176.870 -0.103 0.000 1.083 842 L CA 1.889 56.652 54.840 -0.129 0.000 0.752 842 L CB -0.700 41.265 42.059 -0.157 0.000 0.899 842 L HN 0.349 nan 8.230 nan 0.000 0.433 843 K N 0.028 120.411 120.400 -0.028 0.000 2.032 843 K HA -0.206 4.108 4.320 -0.010 0.000 0.209 843 K C 2.229 178.815 176.600 -0.023 0.000 1.048 843 K CA 2.016 58.296 56.287 -0.012 0.000 0.927 843 K CB -0.238 32.293 32.500 0.051 0.000 0.712 843 K HN 0.293 nan 8.250 nan 0.000 0.441 844 C N 0.117 119.420 119.300 0.004 0.000 2.440 844 C HA -0.027 4.427 4.460 -0.010 0.000 0.278 844 C C 2.567 177.527 174.990 -0.051 0.000 1.295 844 C CA 0.449 59.461 59.018 -0.010 0.000 1.738 844 C CB -0.462 27.294 27.740 0.027 0.000 1.987 844 C HN 0.371 nan 8.230 nan 0.000 0.492 845 V N 0.974 120.848 119.914 -0.067 0.000 2.407 845 V HA -0.198 3.916 4.120 -0.010 0.000 0.248 845 V C 2.163 178.163 176.094 -0.158 0.000 1.055 845 V CA 1.787 64.026 62.300 -0.100 0.000 1.049 845 V CB -0.491 31.247 31.823 -0.142 0.000 0.662 845 V HN 0.604 nan 8.190 nan 0.000 0.455 846 K N -0.273 120.000 120.400 -0.212 0.000 2.404 846 K HA 0.082 4.396 4.320 -0.010 0.000 0.194 846 K C 0.300 176.956 176.600 0.093 0.000 1.023 846 K CA -0.045 56.080 56.287 -0.270 0.000 1.094 846 K CB 0.100 32.342 32.500 -0.430 0.000 0.841 846 K HN 0.495 nan 8.250 nan 0.000 0.523 847 D N 1.213 121.620 120.400 0.013 0.000 2.264 847 D HA -0.034 4.600 4.640 -0.010 0.000 0.249 847 D C 1.273 177.512 176.300 -0.102 0.000 1.070 847 D CA -0.181 53.824 54.000 0.008 0.000 0.912 847 D CB 1.140 41.915 40.800 -0.042 0.000 1.193 847 D HN 0.085 nan 8.370 nan 0.000 0.427 848 Q N 2.149 121.888 119.800 -0.101 0.000 2.226 848 Q HA -0.193 4.141 4.340 -0.010 0.000 0.204 848 Q C 0.548 176.356 176.000 -0.320 0.000 0.975 848 Q CA 1.262 56.853 55.803 -0.354 0.000 0.866 848 Q CB -0.024 28.652 28.738 -0.104 0.000 0.915 848 Q HN 0.366 nan 8.270 nan 0.000 0.440 849 N N 0.263 118.866 118.700 -0.163 0.000 2.508 849 N HA 0.045 4.779 4.740 -0.010 0.000 0.186 849 N C 1.908 177.387 175.510 -0.051 0.000 1.034 849 N CA 1.048 54.068 53.050 -0.050 0.000 0.885 849 N CB -0.389 38.042 38.487 -0.092 0.000 1.135 849 N HN 0.377 nan 8.380 nan 0.000 0.435 850 G N 1.928 110.671 108.800 -0.095 0.000 2.448 850 G HA2 -0.290 3.664 3.960 -0.010 0.000 0.219 850 G HA3 -0.290 3.664 3.960 -0.010 0.000 0.219 850 G C 1.394 176.230 174.900 -0.106 0.000 1.127 850 G CA 1.254 46.310 45.100 -0.073 0.000 0.766 850 G HN 0.569 nan 8.290 nan 0.000 0.552 851 N N -0.195 118.374 118.700 -0.218 0.000 2.223 851 N HA -0.184 4.550 4.740 -0.010 0.000 0.185 851 N C 1.822 177.177 175.510 -0.257 0.000 1.016 851 N CA 1.574 54.473 53.050 -0.251 0.000 0.863 851 N CB -0.596 37.695 38.487 -0.327 0.000 0.983 851 N HN 0.403 nan 8.380 nan 0.000 0.429 852 H N -0.450 118.553 119.070 -0.112 0.000 2.423 852 H HA 0.046 4.596 4.556 -0.010 0.000 0.297 852 H C 2.059 177.340 175.328 -0.078 0.000 1.075 852 H CA 1.286 57.279 56.048 -0.093 0.000 1.342 852 H CB -0.123 29.574 29.762 -0.107 0.000 1.395 852 H HN 0.159 nan 8.280 nan 0.000 0.530 853 V N 0.888 120.819 119.914 0.029 0.000 2.295 853 V HA -0.195 3.919 4.120 -0.010 0.000 0.246 853 V C 2.794 178.872 176.094 -0.026 0.000 1.049 853 V CA 1.245 63.540 62.300 -0.008 0.000 1.024 853 V CB -0.552 31.264 31.823 -0.012 0.000 0.648 853 V HN 0.173 nan 8.190 nan 0.000 0.447 854 V N -0.389 119.507 119.914 -0.031 0.000 2.343 854 V HA -0.323 3.791 4.120 -0.010 0.000 0.247 854 V C 2.444 178.500 176.094 -0.062 0.000 1.051 854 V CA 2.010 64.286 62.300 -0.039 0.000 1.036 854 V CB -0.851 30.963 31.823 -0.014 0.000 0.654 854 V HN 0.577 nan 8.190 nan 0.000 0.451 855 Q N -0.054 119.714 119.800 -0.052 0.000 2.061 855 Q HA -0.295 4.039 4.340 -0.010 0.000 0.204 855 Q C 2.367 178.313 176.000 -0.090 0.000 0.984 855 Q CA 1.910 57.677 55.803 -0.059 0.000 0.846 855 Q CB -0.258 28.465 28.738 -0.025 0.000 0.902 855 Q HN 0.453 nan 8.270 nan 0.000 0.421 856 K N 0.681 121.039 120.400 -0.070 0.000 2.148 856 K HA -0.116 4.198 4.320 -0.010 0.000 0.204 856 K C 1.982 178.511 176.600 -0.119 0.000 1.050 856 K CA 0.957 57.187 56.287 -0.095 0.000 0.942 856 K CB -0.765 31.693 32.500 -0.069 0.000 0.724 856 K HN 0.254 nan 8.250 nan 0.000 0.446 857 C N 0.252 119.493 119.300 -0.099 0.000 2.413 857 C HA -0.093 4.361 4.460 -0.010 0.000 0.276 857 C C 2.316 177.223 174.990 -0.139 0.000 1.236 857 C CA 0.767 59.726 59.018 -0.099 0.000 1.735 857 C CB -0.959 26.731 27.740 -0.083 0.000 2.031 857 C HN 0.512 nan 8.230 nan 0.000 0.474 858 I N 0.792 121.262 120.570 -0.166 0.000 2.315 858 I HA -0.126 4.038 4.170 -0.010 0.000 0.248 858 I C 2.467 178.403 176.117 -0.302 0.000 1.117 858 I CA 1.669 62.854 61.300 -0.191 0.000 1.404 858 I CB -1.591 36.308 38.000 -0.169 0.000 1.071 858 I HN 0.552 nan 8.210 nan 0.000 0.419 859 E N -0.252 119.691 120.200 -0.427 0.000 2.150 859 E HA -0.155 4.189 4.350 -0.010 0.000 0.193 859 E C 2.137 178.511 176.600 -0.376 0.000 0.985 859 E CA 1.241 57.198 56.400 -0.739 0.000 0.814 859 E CB 0.083 29.473 29.700 -0.516 0.000 0.752 859 E HN 0.474 nan 8.360 nan 0.000 0.466 860 C N -0.199 118.974 119.300 -0.212 0.000 2.800 860 C HA 0.228 4.682 4.460 -0.010 0.000 0.379 860 C C 0.908 175.850 174.990 -0.078 0.000 1.304 860 C CA -0.532 58.412 59.018 -0.122 0.000 1.960 860 C CB 0.577 28.255 27.740 -0.103 0.000 2.599 860 C HN 0.011 nan 8.230 nan 0.000 0.578 861 V N 2.670 122.537 119.914 -0.078 0.000 2.617 861 V HA 0.252 4.366 4.120 -0.010 0.000 0.298 861 V C -0.198 175.877 176.094 -0.031 0.000 1.048 861 V CA -0.356 61.918 62.300 -0.043 0.000 0.964 861 V CB 1.165 32.967 31.823 -0.035 0.000 1.004 861 V HN 0.353 nan 8.190 nan 0.000 0.466 862 Q N 5.183 124.976 119.800 -0.012 0.000 2.361 862 Q HA 0.098 4.431 4.340 -0.010 0.000 0.276 862 Q C -1.450 174.547 176.000 -0.006 0.000 1.022 862 Q CA -1.496 54.305 55.803 -0.004 0.000 0.898 862 Q CB 0.436 29.177 28.738 0.004 0.000 1.246 862 Q HN 0.442 nan 8.270 nan 0.000 0.410 863 P HA -0.223 nan 4.420 nan 0.000 0.218 863 P C 1.036 178.334 177.300 -0.004 0.000 1.148 863 P CA 1.464 64.553 63.100 -0.017 0.000 0.822 863 P CB 0.210 31.902 31.700 -0.013 0.000 0.784 864 Q N -0.300 119.506 119.800 0.011 0.000 2.364 864 Q HA -0.022 4.312 4.340 -0.010 0.000 0.207 864 Q C 1.383 177.416 176.000 0.055 0.000 0.970 864 Q CA 1.379 57.198 55.803 0.027 0.000 0.888 864 Q CB -1.064 27.688 28.738 0.023 0.000 0.951 864 Q HN 0.180 nan 8.270 nan 0.000 0.469 865 S N 0.043 115.777 115.700 0.058 0.000 2.524 865 S HA 0.296 4.760 4.470 -0.010 0.000 0.215 865 S C 1.502 176.200 174.600 0.164 0.000 0.986 865 S CA -0.234 58.032 58.200 0.109 0.000 0.911 865 S CB 0.272 63.518 63.200 0.076 0.000 0.805 865 S HN 0.269 nan 8.310 nan 0.000 0.501 866 L N 0.711 121.958 121.223 0.039 0.000 2.590 866 L HA 0.212 4.546 4.340 -0.010 0.000 0.227 866 L C 2.252 178.995 176.870 -0.212 0.000 1.099 866 L CA 0.207 54.966 54.840 -0.135 0.000 0.872 866 L CB -0.111 41.856 42.059 -0.153 0.000 1.088 866 L HN 0.196 nan 8.230 nan 0.000 0.479 867 Q N 1.497 121.280 119.800 -0.028 0.000 2.135 867 Q HA -0.243 4.091 4.340 -0.010 0.000 0.204 867 Q C 2.039 178.024 176.000 -0.026 0.000 0.981 867 Q CA 2.273 58.061 55.803 -0.025 0.000 0.856 867 Q CB -0.388 28.375 28.738 0.042 0.000 0.902 867 Q HN 0.601 nan 8.270 nan 0.000 0.425 868 F N -1.581 118.362 119.950 -0.012 0.000 2.269 868 F HA -0.050 4.471 4.527 -0.010 0.000 0.301 868 F C 1.603 177.414 175.800 0.018 0.000 1.082 868 F CA 0.775 58.776 58.000 0.002 0.000 1.360 868 F CB -0.505 38.497 39.000 0.003 0.000 1.041 868 F HN 0.052 nan 8.300 nan 0.000 0.512 869 I N 0.740 120.774 120.570 -0.894 0.000 2.202 869 I HA -0.260 3.904 4.170 -0.010 0.000 0.242 869 I C 2.513 178.477 176.117 -0.256 0.000 1.091 869 I CA 0.857 61.819 61.300 -0.564 0.000 1.368 869 I CB -0.515 37.087 38.000 -0.663 0.000 1.058 869 I HN 0.144 nan 8.210 nan 0.000 0.410 870 I N 0.800 121.185 120.570 -0.308 0.000 2.208 870 I HA -0.298 3.865 4.170 -0.010 0.000 0.245 870 I C 2.122 178.214 176.117 -0.042 0.000 1.097 870 I CA 1.761 62.913 61.300 -0.246 0.000 1.363 870 I CB -1.367 36.518 38.000 -0.191 0.000 1.051 870 I HN 0.280 nan 8.210 nan 0.000 0.413 871 D N 1.158 121.559 120.400 0.001 0.000 2.144 871 D HA -0.101 4.533 4.640 -0.010 0.000 0.199 871 D C 2.232 178.596 176.300 0.108 0.000 0.984 871 D CA 1.476 55.512 54.000 0.060 0.000 0.834 871 D CB -0.079 40.766 40.800 0.076 0.000 0.955 871 D HN 0.324 nan 8.370 nan 0.000 0.465 872 A N -0.133 122.774 122.820 0.144 0.000 2.067 872 A HA -0.114 4.200 4.320 -0.010 0.000 0.219 872 A C 1.654 179.353 177.584 0.192 0.000 1.158 872 A CA 0.635 52.768 52.037 0.160 0.000 0.661 872 A CB -0.683 18.417 19.000 0.168 0.000 0.801 872 A HN 0.112 nan 8.150 nan 0.000 0.452 873 F N 0.101 120.027 119.950 -0.041 0.000 2.661 873 F HA 0.142 4.662 4.527 -0.010 0.000 0.298 873 F C 1.165 176.956 175.800 -0.016 0.000 1.137 873 F CA 0.229 58.206 58.000 -0.040 0.000 1.454 873 F CB -0.226 38.743 39.000 -0.052 0.000 1.103 873 F HN 0.091 nan 8.300 nan 0.000 0.577 874 K N 0.194 120.690 120.400 0.161 0.000 2.472 874 K HA 0.247 4.561 4.320 -0.010 0.000 0.280 874 K C 1.290 177.932 176.600 0.070 0.000 1.028 874 K CA 1.001 57.350 56.287 0.103 0.000 1.045 874 K CB -0.041 32.504 32.500 0.075 0.000 0.902 874 K HN 0.391 nan 8.250 nan 0.000 0.478 875 G N 3.097 111.942 108.800 0.076 0.000 2.205 875 G HA2 -0.234 3.720 3.960 -0.010 0.000 0.261 875 G HA3 -0.234 3.720 3.960 -0.010 0.000 0.261 875 G C 0.504 175.426 174.900 0.038 0.000 0.980 875 G CA 0.289 45.427 45.100 0.063 0.000 0.632 875 G HN 0.646 nan 8.290 nan 0.000 0.533 876 Q N -0.385 119.419 119.800 0.007 0.000 2.189 876 Q HA 0.394 4.728 4.340 -0.010 0.000 0.223 876 Q C 2.373 178.319 176.000 -0.090 0.000 0.828 876 Q CA 0.568 56.326 55.803 -0.075 0.000 0.967 876 Q CB 0.681 29.306 28.738 -0.188 0.000 1.139 876 Q HN 0.458 nan 8.270 nan 0.000 0.497 877 V N 0.617 120.542 119.914 0.018 0.000 2.343 877 V HA -0.228 3.886 4.120 -0.010 0.000 0.247 877 V C 1.931 178.017 176.094 -0.013 0.000 1.051 877 V CA 1.847 64.178 62.300 0.053 0.000 1.036 877 V CB -0.673 31.234 31.823 0.141 0.000 0.654 877 V HN 0.295 nan 8.190 nan 0.000 0.451 878 F N 0.467 120.284 119.950 -0.221 0.000 2.075 878 F HA -0.190 4.331 4.527 -0.010 0.000 0.297 878 F C 2.314 177.984 175.800 -0.216 0.000 1.113 878 F CA 1.937 59.730 58.000 -0.345 0.000 1.218 878 F CB -0.262 38.238 39.000 -0.834 0.000 0.984 878 F HN -0.073 nan 8.300 nan 0.000 0.472 879 V N 1.060 120.845 119.914 -0.216 0.000 2.324 879 V HA -0.337 3.777 4.120 -0.010 0.000 0.250 879 V C 2.378 178.299 176.094 -0.287 0.000 1.060 879 V CA 2.171 64.315 62.300 -0.261 0.000 1.042 879 V CB -0.641 31.113 31.823 -0.115 0.000 0.650 879 V HN 0.410 nan 8.190 nan 0.000 0.450 880 L N -0.750 120.312 121.223 -0.269 0.000 2.156 880 L HA -0.077 4.257 4.340 -0.010 0.000 0.208 880 L C 2.464 179.232 176.870 -0.170 0.000 1.095 880 L CA 1.263 55.946 54.840 -0.261 0.000 0.770 880 L CB -0.465 41.359 42.059 -0.391 0.000 0.914 880 L HN 0.272 nan 8.230 nan 0.000 0.439 881 S N -0.873 114.712 115.700 -0.191 0.000 2.453 881 S HA -0.102 4.362 4.470 -0.010 0.000 0.231 881 S C 1.757 176.243 174.600 -0.191 0.000 1.005 881 S CA 1.495 59.611 58.200 -0.140 0.000 0.949 881 S CB -0.222 62.907 63.200 -0.118 0.000 0.774 881 S HN 0.598 nan 8.310 nan 0.000 0.510 882 T N -0.940 113.418 114.554 -0.328 0.000 3.163 882 T HA 0.137 4.481 4.350 -0.010 0.000 0.252 882 T C 0.172 174.785 174.700 -0.145 0.000 1.056 882 T CA -0.312 61.609 62.100 -0.297 0.000 0.947 882 T CB -0.173 68.359 68.868 -0.559 0.000 1.016 882 T HN 0.350 nan 8.240 nan 0.000 0.554 883 H N 2.015 120.920 119.070 -0.275 0.000 2.472 883 H HA 0.310 4.860 4.556 -0.010 0.000 0.338 883 H C -2.044 172.924 175.328 -0.600 0.000 1.133 883 H CA -2.202 53.618 56.048 -0.380 0.000 1.216 883 H CB 2.802 32.380 29.762 -0.308 0.000 1.497 883 H HN -0.103 nan 8.280 nan 0.000 0.500 884 P HA -0.126 nan 4.420 nan 0.000 0.223 884 P C 0.410 177.418 177.300 -0.487 0.000 1.151 884 P CA 1.120 63.387 63.100 -1.388 0.000 0.787 884 P CB 0.305 31.027 31.700 -1.630 0.000 0.788 885 Y N -0.046 120.208 120.300 -0.077 0.000 2.396 885 Y HA 0.283 4.827 4.550 -0.010 0.000 0.292 885 Y C 2.897 178.803 175.900 0.010 0.000 1.128 885 Y CA 0.328 58.426 58.100 -0.004 0.000 1.194 885 Y CB -1.663 36.804 38.460 0.012 0.000 1.124 885 Y HN -0.082 nan 8.280 nan 0.000 0.543 886 G N 0.185 109.114 108.800 0.216 0.000 2.442 886 G HA2 -0.312 3.642 3.960 -0.010 0.000 0.219 886 G HA3 -0.312 3.642 3.960 -0.010 0.000 0.219 886 G C 1.786 176.708 174.900 0.037 0.000 1.141 886 G CA 1.631 46.725 45.100 -0.011 0.000 0.763 886 G HN 0.587 nan 8.290 nan 0.000 0.554 887 C N 0.265 119.587 119.300 0.037 0.000 2.422 887 C HA 0.183 4.637 4.460 -0.010 0.000 0.279 887 C C 2.728 177.761 174.990 0.073 0.000 1.305 887 C CA 0.538 59.590 59.018 0.057 0.000 1.757 887 C CB -0.804 26.996 27.740 0.100 0.000 1.962 887 C HN 0.309 nan 8.230 nan 0.000 0.499 888 R N 1.422 121.968 120.500 0.077 0.000 2.092 888 R HA 0.022 4.356 4.340 -0.010 0.000 0.231 888 R C 2.330 178.647 176.300 0.028 0.000 1.119 888 R CA 1.293 57.427 56.100 0.056 0.000 0.970 888 R CB -1.179 29.158 30.300 0.061 0.000 0.864 888 R HN 0.574 nan 8.270 nan 0.000 0.440 889 V N 1.908 121.851 119.914 0.049 0.000 2.343 889 V HA -0.203 3.911 4.120 -0.010 0.000 0.247 889 V C 2.515 178.626 176.094 0.028 0.000 1.051 889 V CA 1.341 63.674 62.300 0.055 0.000 1.036 889 V CB -0.423 31.493 31.823 0.154 0.000 0.654 889 V HN 0.137 nan 8.190 nan 0.000 0.451 890 I N 0.079 120.702 120.570 0.089 0.000 2.163 890 I HA -0.304 3.860 4.170 -0.010 0.000 0.243 890 I C 2.632 178.680 176.117 -0.115 0.000 1.085 890 I CA 1.811 63.128 61.300 0.028 0.000 1.347 890 I CB -1.178 36.865 38.000 0.073 0.000 1.044 890 I HN 0.460 nan 8.210 nan 0.000 0.408 891 Q N -0.008 119.698 119.800 -0.156 0.000 2.096 891 Q HA -0.198 4.135 4.340 -0.010 0.000 0.204 891 Q C 2.369 178.210 176.000 -0.264 0.000 0.982 891 Q CA 1.300 56.862 55.803 -0.401 0.000 0.850 891 Q CB -0.145 28.421 28.738 -0.288 0.000 0.901 891 Q HN 0.388 nan 8.270 nan 0.000 0.422 892 R N 0.482 120.930 120.500 -0.087 0.000 2.081 892 R HA -0.069 4.265 4.340 -0.010 0.000 0.235 892 R C 2.194 178.506 176.300 0.020 0.000 1.131 892 R CA 1.070 57.188 56.100 0.031 0.000 0.960 892 R CB -0.705 29.599 30.300 0.006 0.000 0.856 892 R HN 0.372 nan 8.270 nan 0.000 0.436 893 I N 1.026 121.538 120.570 -0.095 0.000 2.163 893 I HA -0.296 3.868 4.170 -0.010 0.000 0.243 893 I C 2.248 178.313 176.117 -0.088 0.000 1.085 893 I CA 1.287 62.506 61.300 -0.134 0.000 1.347 893 I CB -0.313 37.533 38.000 -0.257 0.000 1.044 893 I HN 0.067 nan 8.210 nan 0.000 0.408 894 L N 0.087 121.244 121.223 -0.109 0.000 2.191 894 L HA -0.199 4.135 4.340 -0.010 0.000 0.212 894 L C 2.328 179.196 176.870 -0.005 0.000 1.103 894 L CA 1.332 56.139 54.840 -0.056 0.000 0.769 894 L CB -0.515 41.497 42.059 -0.079 0.000 0.908 894 L HN 0.295 nan 8.230 nan 0.000 0.438 895 E N -1.283 118.898 120.200 -0.031 0.000 2.086 895 E HA -0.100 4.244 4.350 -0.010 0.000 0.190 895 E C 1.848 178.277 176.600 -0.285 0.000 0.975 895 E CA 0.747 57.053 56.400 -0.155 0.000 0.813 895 E CB 0.162 29.714 29.700 -0.246 0.000 0.768 895 E HN 0.533 nan 8.360 nan 0.000 0.457 896 H N -1.364 117.676 119.070 -0.050 0.000 2.855 896 H HA 0.215 4.765 4.556 -0.010 0.000 0.259 896 H C 0.647 175.941 175.328 -0.058 0.000 0.972 896 H CA -0.133 55.883 56.048 -0.052 0.000 1.213 896 H CB 0.357 30.082 29.762 -0.062 0.000 1.451 896 H HN 0.131 nan 8.280 nan 0.000 0.484 897 C N 2.303 121.622 119.300 0.031 0.000 2.563 897 C HA 0.219 4.673 4.460 -0.010 0.000 0.358 897 C C 1.531 176.510 174.990 -0.018 0.000 1.336 897 C CA -0.401 58.607 59.018 -0.015 0.000 2.454 897 C CB 1.157 28.857 27.740 -0.067 0.000 2.448 897 C HN 0.511 nan 8.230 nan 0.000 0.670 898 T N -0.315 114.226 114.554 -0.021 0.000 2.766 898 T HA 0.384 4.728 4.350 -0.010 0.000 0.295 898 T C 1.071 175.763 174.700 -0.014 0.000 1.024 898 T CA 0.046 62.138 62.100 -0.014 0.000 1.018 898 T CB 0.717 69.579 68.868 -0.011 0.000 1.002 898 T HN 0.825 nan 8.240 nan 0.000 0.532 899 A N 0.411 123.228 122.820 -0.006 0.000 1.940 899 A HA -0.115 4.199 4.320 -0.010 0.000 0.219 899 A C 2.273 179.856 177.584 -0.001 0.000 1.176 899 A CA 1.804 53.841 52.037 -0.001 0.000 0.631 899 A CB -1.068 17.935 19.000 0.005 0.000 0.814 899 A HN 0.980 nan 8.150 nan 0.000 0.446 900 E N -0.695 119.503 120.200 -0.004 0.000 2.153 900 E HA -0.226 4.118 4.350 -0.010 0.000 0.194 900 E C 2.244 178.837 176.600 -0.010 0.000 0.988 900 E CA 1.380 57.778 56.400 -0.003 0.000 0.811 900 E CB -0.131 29.567 29.700 -0.003 0.000 0.746 900 E HN 0.768 nan 8.360 nan 0.000 0.466 901 Q N -0.473 119.314 119.800 -0.023 0.000 2.163 901 Q HA -0.072 4.262 4.340 -0.010 0.000 0.198 901 Q C 2.329 178.300 176.000 -0.048 0.000 0.954 901 Q CA 1.631 57.408 55.803 -0.043 0.000 0.851 901 Q CB 0.182 28.881 28.738 -0.065 0.000 0.928 901 Q HN 0.326 nan 8.270 nan 0.000 0.459 902 T N -0.698 113.835 114.554 -0.035 0.000 2.985 902 T HA -0.058 4.286 4.350 -0.010 0.000 0.266 902 T C 1.791 176.488 174.700 -0.006 0.000 1.076 902 T CA 0.373 62.455 62.100 -0.031 0.000 1.135 902 T CB -0.160 68.697 68.868 -0.019 0.000 0.890 902 T HN 0.099 nan 8.240 nan 0.000 0.480 903 L N 3.189 124.416 121.223 0.006 0.000 1.990 903 L HA 0.023 4.357 4.340 -0.010 0.000 0.213 903 L C -0.672 176.217 176.870 0.032 0.000 1.072 903 L CA 2.129 56.984 54.840 0.026 0.000 0.755 903 L CB -1.255 40.818 42.059 0.023 0.000 0.889 903 L HN 0.142 nan 8.230 nan 0.000 0.432 904 P HA -0.145 nan 4.420 nan 0.000 0.220 904 P C 2.018 179.342 177.300 0.039 0.000 1.148 904 P CA 1.351 64.471 63.100 0.033 0.000 0.803 904 P CB -0.156 31.560 31.700 0.026 0.000 0.782 905 I N -0.434 120.147 120.570 0.019 0.000 2.163 905 I HA -0.150 4.014 4.170 -0.010 0.000 0.240 905 I C 2.633 178.758 176.117 0.014 0.000 1.081 905 I CA 1.110 62.425 61.300 0.023 0.000 1.353 905 I CB -1.470 36.517 38.000 -0.022 0.000 1.054 905 I HN -0.064 nan 8.210 nan 0.000 0.407 906 L N 0.455 121.675 121.223 -0.006 0.000 2.042 906 L HA -0.223 4.111 4.340 -0.010 0.000 0.210 906 L C 2.538 179.402 176.870 -0.009 0.000 1.076 906 L CA 1.409 56.214 54.840 -0.059 0.000 0.749 906 L CB -0.572 41.497 42.059 0.016 0.000 0.893 906 L HN 0.278 nan 8.230 nan 0.000 0.432 907 E N -0.257 119.997 120.200 0.092 0.000 2.085 907 E HA -0.297 4.047 4.350 -0.010 0.000 0.194 907 E C 2.112 178.774 176.600 0.103 0.000 0.994 907 E CA 1.498 57.978 56.400 0.133 0.000 0.801 907 E CB -0.074 29.678 29.700 0.087 0.000 0.743 907 E HN 0.482 nan 8.360 nan 0.000 0.453 908 E N 0.543 120.796 120.200 0.087 0.000 2.107 908 E HA -0.133 4.211 4.350 -0.010 0.000 0.191 908 E C 2.192 178.901 176.600 0.183 0.000 0.982 908 E CA 0.303 56.782 56.400 0.132 0.000 0.809 908 E CB 0.092 29.882 29.700 0.151 0.000 0.756 908 E HN 0.188 nan 8.360 nan 0.000 0.459 909 L N 0.542 121.812 121.223 0.078 0.000 2.012 909 L HA -0.233 4.101 4.340 -0.010 0.000 0.210 909 L C 2.452 179.340 176.870 0.031 0.000 1.073 909 L CA 1.177 56.041 54.840 0.040 0.000 0.748 909 L CB -0.507 41.471 42.059 -0.135 0.000 0.891 909 L HN 0.319 nan 8.230 nan 0.000 0.431 910 H N -0.269 118.849 119.070 0.080 0.000 2.518 910 H HA -0.135 4.415 4.556 -0.010 0.000 0.289 910 H C 2.049 177.363 175.328 -0.025 0.000 1.051 910 H CA 0.927 56.995 56.048 0.034 0.000 1.280 910 H CB -0.047 29.726 29.762 0.019 0.000 1.380 910 H HN 0.530 nan 8.280 nan 0.000 0.566 911 Q N -0.179 119.626 119.800 0.010 0.000 2.488 911 Q HA -0.057 4.277 4.340 -0.010 0.000 0.211 911 Q C 0.504 176.220 176.000 -0.475 0.000 0.967 911 Q CA 0.660 56.310 55.803 -0.255 0.000 0.926 911 Q CB 0.351 28.845 28.738 -0.406 0.000 0.992 911 Q HN 0.616 nan 8.270 nan 0.000 0.506 912 H N -2.038 117.048 119.070 0.027 0.000 2.885 912 H HA 0.188 4.738 4.556 -0.010 0.000 0.254 912 H C 1.041 176.407 175.328 0.064 0.000 1.185 912 H CA 0.019 56.059 56.048 -0.013 0.000 1.029 912 H CB 0.813 30.602 29.762 0.046 0.000 1.743 912 H HN 0.084 nan 8.280 nan 0.000 0.632 913 T N 0.838 115.478 114.554 0.142 0.000 2.720 913 T HA -0.205 4.139 4.350 -0.010 0.000 0.268 913 T C 1.941 176.697 174.700 0.094 0.000 1.037 913 T CA 1.851 64.028 62.100 0.129 0.000 1.144 913 T CB 0.224 69.168 68.868 0.127 0.000 0.864 913 T HN 0.507 nan 8.240 nan 0.000 0.444 914 E N 0.531 120.766 120.200 0.057 0.000 2.070 914 E HA -0.269 4.075 4.350 -0.010 0.000 0.197 914 E C 2.223 178.845 176.600 0.038 0.000 1.004 914 E CA 1.422 57.838 56.400 0.027 0.000 0.805 914 E CB -0.009 29.692 29.700 0.002 0.000 0.744 914 E HN 0.427 nan 8.360 nan 0.000 0.451 915 Q N 0.228 120.078 119.800 0.082 0.000 2.123 915 Q HA -0.009 4.325 4.340 -0.010 0.000 0.199 915 Q C 2.255 178.377 176.000 0.204 0.000 0.966 915 Q CA 0.963 56.851 55.803 0.142 0.000 0.845 915 Q CB -0.093 28.732 28.738 0.146 0.000 0.907 915 Q HN 0.331 nan 8.270 nan 0.000 0.439 916 L N 0.229 121.601 121.223 0.249 0.000 2.083 916 L HA -0.144 4.190 4.340 -0.010 0.000 0.209 916 L C 2.218 179.109 176.870 0.036 0.000 1.083 916 L CA 1.029 55.958 54.840 0.149 0.000 0.752 916 L CB -0.748 41.407 42.059 0.160 0.000 0.899 916 L HN 0.248 nan 8.230 nan 0.000 0.433 917 V N -2.938 116.997 119.914 0.034 0.000 2.594 917 V HA -0.245 3.869 4.120 -0.010 0.000 0.253 917 V C 1.817 177.887 176.094 -0.041 0.000 1.069 917 V CA 1.442 63.742 62.300 -0.000 0.000 1.082 917 V CB -0.616 31.206 31.823 -0.002 0.000 0.680 917 V HN 0.530 nan 8.190 nan 0.000 0.469 918 Q N 0.365 120.121 119.800 -0.072 0.000 2.360 918 Q HA 0.184 4.518 4.340 -0.010 0.000 0.202 918 Q C 0.308 176.369 176.000 0.102 0.000 0.915 918 Q CA 0.264 55.997 55.803 -0.118 0.000 0.943 918 Q CB 0.299 28.884 28.738 -0.255 0.000 1.064 918 Q HN 0.816 nan 8.270 nan 0.000 0.511 919 D N -0.014 120.349 120.400 -0.062 0.000 2.255 919 D HA -0.030 4.604 4.640 -0.010 0.000 0.249 919 D C 0.883 176.743 176.300 -0.735 0.000 1.078 919 D CA -0.076 53.773 54.000 -0.251 0.000 0.896 919 D CB 1.109 41.777 40.800 -0.221 0.000 1.194 919 D HN -0.074 nan 8.370 nan 0.000 0.429 920 Q N 2.095 121.170 119.800 -1.209 0.000 2.133 920 Q HA -0.270 4.064 4.340 -0.010 0.000 0.208 920 Q C 0.537 175.439 176.000 -1.829 0.000 0.991 920 Q CA 1.793 56.301 55.803 -2.158 0.000 0.867 920 Q CB 0.006 27.754 28.738 -1.651 0.000 0.911 920 Q HN 0.775 nan 8.270 nan 0.000 0.417 921 Y N -2.491 117.298 120.300 -0.851 0.000 2.559 921 Y HA 0.274 4.818 4.550 -0.010 0.000 0.279 921 Y C 2.250 177.835 175.900 -0.525 0.000 1.117 921 Y CA 0.004 57.647 58.100 -0.762 0.000 1.263 921 Y CB -0.175 38.032 38.460 -0.421 0.000 1.230 921 Y HN 0.184 nan 8.280 nan 0.000 0.528 922 G N 1.419 110.047 108.800 -0.286 0.000 2.450 922 G HA2 -0.379 3.575 3.960 -0.010 0.000 0.220 922 G HA3 -0.379 3.575 3.960 -0.010 0.000 0.220 922 G C 1.246 176.079 174.900 -0.112 0.000 1.130 922 G CA 1.509 46.506 45.100 -0.172 0.000 0.760 922 G HN 0.634 nan 8.290 nan 0.000 0.557 923 N N -0.963 117.616 118.700 -0.203 0.000 2.289 923 N HA -0.175 4.559 4.740 -0.010 0.000 0.184 923 N C 1.795 177.363 175.510 0.096 0.000 1.016 923 N CA 1.262 54.279 53.050 -0.056 0.000 0.872 923 N CB -0.464 37.995 38.487 -0.046 0.000 0.973 923 N HN 0.313 nan 8.380 nan 0.000 0.433 924 Y N 0.506 120.813 120.300 0.013 0.000 2.224 924 Y HA -0.031 4.513 4.550 -0.010 0.000 0.289 924 Y C 2.439 178.388 175.900 0.080 0.000 1.146 924 Y CA 0.132 58.266 58.100 0.057 0.000 1.182 924 Y CB -0.742 37.761 38.460 0.072 0.000 0.983 924 Y HN 0.016 nan 8.280 nan 0.000 0.524 925 V N -0.347 119.689 119.914 0.204 0.000 2.379 925 V HA -0.239 3.875 4.120 -0.010 0.000 0.245 925 V C 2.333 178.508 176.094 0.135 0.000 1.044 925 V CA 1.137 63.517 62.300 0.133 0.000 1.036 925 V CB -0.588 31.270 31.823 0.058 0.000 0.664 925 V HN 0.232 nan 8.190 nan 0.000 0.453 926 I N 0.083 120.717 120.570 0.106 0.000 2.226 926 I HA -0.261 3.903 4.170 -0.010 0.000 0.245 926 I C 2.595 178.773 176.117 0.102 0.000 1.100 926 I CA 1.555 62.911 61.300 0.093 0.000 1.374 926 I CB -1.446 36.600 38.000 0.076 0.000 1.057 926 I HN 0.435 nan 8.210 nan 0.000 0.413 927 Q N -0.571 119.301 119.800 0.120 0.000 2.112 927 Q HA -0.263 4.071 4.340 -0.010 0.000 0.206 927 Q C 2.349 178.364 176.000 0.025 0.000 0.987 927 Q CA 1.605 57.455 55.803 0.079 0.000 0.858 927 Q CB -0.380 28.430 28.738 0.120 0.000 0.905 927 Q HN 0.573 nan 8.270 nan 0.000 0.420 928 H N 0.157 119.238 119.070 0.019 0.000 2.319 928 H HA -0.108 4.443 4.556 -0.010 0.000 0.299 928 H C 1.987 177.310 175.328 -0.008 0.000 1.092 928 H CA 1.625 57.695 56.048 0.037 0.000 1.302 928 H CB 0.124 29.955 29.762 0.115 0.000 1.373 928 H HN 0.072 nan 8.280 nan 0.000 0.497 929 V N 1.372 121.398 119.914 0.187 0.000 2.407 929 V HA -0.251 3.863 4.120 -0.010 0.000 0.248 929 V C 3.029 179.127 176.094 0.006 0.000 1.055 929 V CA 1.449 63.822 62.300 0.121 0.000 1.049 929 V CB -0.632 31.255 31.823 0.107 0.000 0.662 929 V HN 0.289 nan 8.190 nan 0.000 0.455 930 L N -0.353 120.847 121.223 -0.038 0.000 2.083 930 L HA -0.184 4.150 4.340 -0.010 0.000 0.209 930 L C 2.534 179.230 176.870 -0.290 0.000 1.083 930 L CA 1.698 56.488 54.840 -0.084 0.000 0.752 930 L CB -0.530 41.510 42.059 -0.032 0.000 0.899 930 L HN 0.382 nan 8.230 nan 0.000 0.433 931 E N -1.385 118.465 120.200 -0.583 0.000 2.230 931 E HA -0.093 4.251 4.350 -0.010 0.000 0.192 931 E C 1.333 177.425 176.600 -0.847 0.000 0.987 931 E CA 0.682 56.422 56.400 -1.100 0.000 0.841 931 E CB 0.242 29.118 29.700 -1.373 0.000 0.783 931 E HN 0.584 nan 8.360 nan 0.000 0.481 932 H N -1.630 117.291 119.070 -0.248 0.000 3.440 932 H HA 0.241 4.791 4.556 -0.010 0.000 0.259 932 H C 0.848 176.138 175.328 -0.062 0.000 1.120 932 H CA 0.367 56.309 56.048 -0.176 0.000 1.191 932 H CB 0.560 30.146 29.762 -0.292 0.000 1.537 932 H HN 0.017 nan 8.280 nan 0.000 0.547 933 G N 0.989 109.824 108.800 0.058 0.000 2.543 933 G HA2 0.378 4.332 3.960 -0.010 0.000 0.290 933 G HA3 0.378 4.332 3.960 -0.010 0.000 0.290 933 G C 0.092 175.027 174.900 0.058 0.000 1.310 933 G CA -0.687 44.461 45.100 0.080 0.000 1.025 933 G HN 0.063 nan 8.290 nan 0.000 0.502 934 R N 0.225 120.764 120.500 0.064 0.000 2.641 934 R HA 0.157 4.491 4.340 -0.010 0.000 0.269 934 R C -1.479 174.849 176.300 0.047 0.000 1.074 934 R CA -1.238 54.892 56.100 0.050 0.000 1.133 934 R CB 0.883 31.212 30.300 0.049 0.000 1.029 934 R HN 0.232 nan 8.270 nan 0.000 0.488 935 P HA -0.215 nan 4.420 nan 0.000 0.216 935 P C 0.262 177.576 177.300 0.024 0.000 1.154 935 P CA 1.433 64.550 63.100 0.028 0.000 0.865 935 P CB 0.270 31.982 31.700 0.020 0.000 0.789 936 E N -0.715 119.496 120.200 0.019 0.000 2.153 936 E HA -0.156 4.188 4.350 -0.010 0.000 0.194 936 E C 1.682 178.277 176.600 -0.009 0.000 0.988 936 E CA 1.113 57.512 56.400 -0.002 0.000 0.811 936 E CB -0.930 28.767 29.700 -0.005 0.000 0.746 936 E HN 0.361 nan 8.360 nan 0.000 0.466 937 D N 0.698 121.132 120.400 0.056 0.000 2.162 937 D HA -0.056 4.578 4.640 -0.010 0.000 0.203 937 D C 1.590 177.976 176.300 0.143 0.000 0.967 937 D CA 0.738 54.827 54.000 0.149 0.000 0.840 937 D CB -0.025 40.929 40.800 0.255 0.000 0.972 937 D HN 0.178 nan 8.370 nan 0.000 0.482 938 K N 0.816 121.270 120.400 0.090 0.000 2.063 938 K HA -0.063 4.251 4.320 -0.010 0.000 0.208 938 K C 2.303 178.930 176.600 0.046 0.000 1.048 938 K CA 0.913 57.243 56.287 0.072 0.000 0.928 938 K CB -0.083 32.448 32.500 0.052 0.000 0.713 938 K HN -0.071 nan 8.250 nan 0.000 0.442 939 S N 1.336 117.045 115.700 0.016 0.000 2.382 939 S HA -0.121 4.343 4.470 -0.010 0.000 0.228 939 S C 1.729 176.313 174.600 -0.026 0.000 1.027 939 S CA 1.274 59.470 58.200 -0.006 0.000 0.991 939 S CB -0.082 63.108 63.200 -0.018 0.000 0.823 939 S HN 0.289 nan 8.310 nan 0.000 0.469 940 K N 0.858 121.214 120.400 -0.073 0.000 2.057 940 K HA -0.009 4.305 4.320 -0.010 0.000 0.207 940 K C 1.949 178.549 176.600 -0.000 0.000 1.049 940 K CA 1.246 57.457 56.287 -0.126 0.000 0.931 940 K CB -0.340 31.880 32.500 -0.467 0.000 0.714 940 K HN 0.332 nan 8.250 nan 0.000 0.440 941 I N 0.599 121.216 120.570 0.079 0.000 2.226 941 I HA -0.262 3.902 4.170 -0.010 0.000 0.245 941 I C 2.178 178.327 176.117 0.053 0.000 1.100 941 I CA 0.939 62.300 61.300 0.100 0.000 1.374 941 I CB -0.244 37.828 38.000 0.120 0.000 1.057 941 I HN -0.069 nan 8.210 nan 0.000 0.413 942 V N 0.951 120.887 119.914 0.037 0.000 2.392 942 V HA -0.306 3.808 4.120 -0.010 0.000 0.249 942 V C 2.668 178.770 176.094 0.014 0.000 1.059 942 V CA 2.251 64.565 62.300 0.024 0.000 1.051 942 V CB -0.843 30.991 31.823 0.018 0.000 0.658 942 V HN 0.649 nan 8.190 nan 0.000 0.455 943 S N -0.153 115.550 115.700 0.005 0.000 2.440 943 S HA -0.209 4.255 4.470 -0.010 0.000 0.238 943 S C 1.626 176.228 174.600 0.003 0.000 1.010 943 S CA 1.465 59.663 58.200 -0.002 0.000 0.972 943 S CB -0.350 62.839 63.200 -0.017 0.000 0.774 943 S HN 0.706 nan 8.310 nan 0.000 0.501 944 E N 0.218 120.427 120.200 0.015 0.000 2.474 944 E HA 0.177 4.521 4.350 -0.010 0.000 0.194 944 E C 1.301 177.908 176.600 0.012 0.000 1.041 944 E CA 0.141 56.551 56.400 0.016 0.000 0.874 944 E CB 0.139 29.858 29.700 0.032 0.000 0.914 944 E HN 0.553 nan 8.360 nan 0.000 0.498 945 I N 0.789 121.367 120.570 0.013 0.000 3.445 945 I HA 0.001 4.165 4.170 -0.010 0.000 0.288 945 I C 1.090 177.212 176.117 0.008 0.000 1.198 945 I CA 0.201 61.508 61.300 0.011 0.000 1.417 945 I CB -0.383 37.628 38.000 0.018 0.000 1.205 945 I HN 0.021 nan 8.210 nan 0.000 0.448 946 R N 1.664 122.168 120.500 0.007 0.000 2.640 946 R HA 0.307 4.641 4.340 -0.010 0.000 0.270 946 R C 1.075 177.378 176.300 0.004 0.000 1.024 946 R CA 0.846 56.950 56.100 0.005 0.000 1.085 946 R CB -0.121 30.181 30.300 0.003 0.000 0.963 946 R HN 0.310 nan 8.270 nan 0.000 0.426 947 G N 2.041 110.845 108.800 0.006 0.000 2.205 947 G HA2 -0.333 3.620 3.960 -0.010 0.000 0.261 947 G HA3 -0.333 3.620 3.960 -0.010 0.000 0.261 947 G C 0.400 175.305 174.900 0.007 0.000 0.980 947 G CA 0.623 45.727 45.100 0.006 0.000 0.632 947 G HN 0.649 nan 8.290 nan 0.000 0.533 948 K N -0.229 120.176 120.400 0.007 0.000 2.501 948 K HA 0.467 4.781 4.320 -0.010 0.000 0.204 948 K C 1.812 178.419 176.600 0.011 0.000 1.067 948 K CA 0.303 56.595 56.287 0.007 0.000 1.060 948 K CB 1.115 33.615 32.500 0.000 0.000 0.873 948 K HN 0.185 nan 8.250 nan 0.000 0.540 949 V N 1.333 121.254 119.914 0.013 0.000 2.295 949 V HA -0.255 3.859 4.120 -0.010 0.000 0.246 949 V C 2.064 178.170 176.094 0.020 0.000 1.049 949 V CA 1.627 63.936 62.300 0.015 0.000 1.024 949 V CB -0.273 31.557 31.823 0.012 0.000 0.648 949 V HN 0.311 nan 8.190 nan 0.000 0.447 950 L N 0.953 122.189 121.223 0.021 0.000 1.994 950 L HA -0.088 4.246 4.340 -0.010 0.000 0.208 950 L C 2.460 179.349 176.870 0.032 0.000 1.071 950 L CA 2.498 57.353 54.840 0.026 0.000 0.745 950 L CB -1.127 40.949 42.059 0.028 0.000 0.892 950 L HN 0.213 nan 8.230 nan 0.000 0.431 951 A N -0.392 122.447 122.820 0.031 0.000 1.865 951 A HA -0.183 4.131 4.320 -0.010 0.000 0.217 951 A C 2.270 179.884 177.584 0.050 0.000 1.191 951 A CA 2.163 54.224 52.037 0.039 0.000 0.623 951 A CB -1.047 17.971 19.000 0.030 0.000 0.826 951 A HN 0.517 nan 8.150 nan 0.000 0.444 952 L N -0.338 120.904 121.223 0.032 0.000 2.201 952 L HA -0.110 4.224 4.340 -0.010 0.000 0.212 952 L C 2.633 179.539 176.870 0.059 0.000 1.105 952 L CA 1.169 56.027 54.840 0.030 0.000 0.775 952 L CB -0.400 41.656 42.059 -0.005 0.000 0.913 952 L HN 0.305 nan 8.230 nan 0.000 0.440 953 S N -0.444 115.286 115.700 0.051 0.000 2.442 953 S HA -0.182 4.282 4.470 -0.010 0.000 0.236 953 S C 1.745 176.394 174.600 0.082 0.000 1.007 953 S CA 1.078 59.312 58.200 0.057 0.000 0.965 953 S CB -0.121 63.101 63.200 0.037 0.000 0.773 953 S HN 0.517 nan 8.310 nan 0.000 0.504 954 Q N -0.252 119.599 119.800 0.086 0.000 2.360 954 Q HA 0.113 4.447 4.340 -0.010 0.000 0.202 954 Q C 0.318 176.382 176.000 0.108 0.000 0.915 954 Q CA 0.085 55.956 55.803 0.114 0.000 0.943 954 Q CB 0.245 29.028 28.738 0.074 0.000 1.064 954 Q HN 0.516 nan 8.270 nan 0.000 0.511 955 H N 1.408 120.435 119.070 -0.072 0.000 2.580 955 H HA 0.083 4.632 4.556 -0.010 0.000 0.322 955 H C 0.769 175.769 175.328 -0.547 0.000 1.082 955 H CA 0.366 56.288 56.048 -0.210 0.000 1.383 955 H CB 1.134 30.822 29.762 -0.122 0.000 1.450 955 H HN -0.000 nan 8.280 nan 0.000 0.505 956 K N 3.497 123.171 120.400 -1.210 0.000 2.127 956 K HA -0.166 4.148 4.320 -0.010 0.000 0.208 956 K C 0.750 176.695 176.600 -1.092 0.000 1.047 956 K CA 1.757 56.989 56.287 -1.758 0.000 0.927 956 K CB 0.132 31.649 32.500 -1.639 0.000 0.716 956 K HN 0.532 nan 8.250 nan 0.000 0.450 957 F N -1.190 118.665 119.950 -0.159 0.000 2.514 957 F HA 0.208 4.729 4.527 -0.010 0.000 0.281 957 F C 2.253 178.071 175.800 0.030 0.000 1.060 957 F CA 0.063 58.039 58.000 -0.040 0.000 1.397 957 F CB -0.084 38.892 39.000 -0.041 0.000 1.129 957 F HN -0.035 nan 8.300 nan 0.000 0.620 958 A N 0.005 122.998 122.820 0.288 0.000 2.019 958 A HA -0.128 4.186 4.320 -0.010 0.000 0.219 958 A C 2.146 179.770 177.584 0.067 0.000 1.164 958 A CA 1.804 53.877 52.037 0.060 0.000 0.644 958 A CB -0.917 18.003 19.000 -0.135 0.000 0.805 958 A HN 0.306 nan 8.150 nan 0.000 0.449 959 S N 1.096 116.832 115.700 0.061 0.000 2.400 959 S HA -0.186 4.278 4.470 -0.010 0.000 0.232 959 S C 1.787 176.447 174.600 0.099 0.000 1.025 959 S CA 1.398 59.636 58.200 0.064 0.000 0.993 959 S CB -0.461 62.769 63.200 0.049 0.000 0.808 959 S HN 0.701 nan 8.310 nan 0.000 0.478 960 N N 1.413 120.179 118.700 0.109 0.000 2.104 960 N HA -0.063 4.671 4.740 -0.010 0.000 0.190 960 N C 1.742 177.328 175.510 0.128 0.000 1.024 960 N CA 1.021 54.158 53.050 0.145 0.000 0.853 960 N CB -0.797 37.794 38.487 0.174 0.000 1.008 960 N HN 0.249 nan 8.380 nan 0.000 0.424 961 V N 0.922 120.898 119.914 0.104 0.000 2.307 961 V HA -0.149 3.965 4.120 -0.010 0.000 0.245 961 V C 2.461 178.598 176.094 0.071 0.000 1.045 961 V CA 1.040 63.391 62.300 0.084 0.000 1.024 961 V CB -0.513 31.349 31.823 0.065 0.000 0.651 961 V HN 0.052 nan 8.190 nan 0.000 0.449 962 V N 0.108 120.059 119.914 0.062 0.000 2.287 962 V HA -0.300 3.814 4.120 -0.010 0.000 0.248 962 V C 2.603 178.725 176.094 0.047 0.000 1.053 962 V CA 2.355 64.684 62.300 0.047 0.000 1.027 962 V CB -0.702 31.145 31.823 0.040 0.000 0.646 962 V HN 0.643 nan 8.190 nan 0.000 0.447 963 E N 0.443 120.683 120.200 0.067 0.000 2.058 963 E HA -0.264 4.080 4.350 -0.010 0.000 0.194 963 E C 2.228 178.865 176.600 0.063 0.000 0.997 963 E CA 1.381 57.813 56.400 0.053 0.000 0.801 963 E CB -0.090 29.686 29.700 0.126 0.000 0.746 963 E HN 0.425 nan 8.360 nan 0.000 0.450 964 K N 0.331 120.795 120.400 0.107 0.000 2.211 964 K HA -0.075 4.239 4.320 -0.010 0.000 0.203 964 K C 2.326 179.003 176.600 0.129 0.000 1.050 964 K CA 0.728 57.108 56.287 0.155 0.000 0.945 964 K CB -0.845 31.727 32.500 0.119 0.000 0.732 964 K HN 0.262 nan 8.250 nan 0.000 0.451 965 C N 0.441 119.787 119.300 0.076 0.000 2.432 965 C HA -0.077 4.377 4.460 -0.010 0.000 0.277 965 C C 2.818 177.826 174.990 0.029 0.000 1.249 965 C CA 0.520 59.571 59.018 0.055 0.000 1.725 965 C CB -0.673 27.090 27.740 0.039 0.000 2.028 965 C HN 0.185 nan 8.230 nan 0.000 0.477 966 V N 0.419 120.337 119.914 0.007 0.000 2.392 966 V HA -0.214 3.900 4.120 -0.010 0.000 0.249 966 V C 2.423 178.478 176.094 -0.065 0.000 1.059 966 V CA 2.561 64.843 62.300 -0.030 0.000 1.051 966 V CB -0.983 30.811 31.823 -0.047 0.000 0.658 966 V HN 0.631 nan 8.190 nan 0.000 0.455 967 T N -1.917 112.590 114.554 -0.079 0.000 2.978 967 T HA -0.029 4.315 4.350 -0.010 0.000 0.262 967 T C 1.540 176.033 174.700 -0.344 0.000 1.063 967 T CA 0.989 62.952 62.100 -0.229 0.000 1.140 967 T CB -0.112 68.597 68.868 -0.266 0.000 0.886 967 T HN 0.547 nan 8.240 nan 0.000 0.470 968 H N -0.701 118.349 119.070 -0.034 0.000 3.170 968 H HA 0.572 5.122 4.556 -0.009 0.000 0.264 968 H C 1.099 176.411 175.328 -0.026 0.000 1.113 968 H CA -0.101 55.924 56.048 -0.039 0.000 1.194 968 H CB 0.448 30.174 29.762 -0.061 0.000 1.553 968 H HN 0.289 nan 8.280 nan 0.000 0.538 969 A N 1.418 124.282 122.820 0.073 0.000 2.251 969 A HA 0.341 4.655 4.320 -0.010 0.000 0.278 969 A C 0.959 178.556 177.584 0.022 0.000 1.206 969 A CA 0.119 52.183 52.037 0.045 0.000 0.822 969 A CB 0.131 19.150 19.000 0.033 0.000 1.187 969 A HN 0.315 nan 8.150 nan 0.000 0.504 970 S N -1.199 114.510 115.700 0.016 0.000 2.608 970 S HA 0.167 4.631 4.470 -0.010 0.000 0.261 970 S C 1.161 175.760 174.600 -0.002 0.000 1.314 970 S CA 0.389 58.593 58.200 0.007 0.000 0.992 970 S CB 0.549 63.752 63.200 0.006 0.000 0.935 970 S HN 0.741 nan 8.310 nan 0.000 0.564 971 R N 0.647 121.144 120.500 -0.005 0.000 2.083 971 R HA -0.121 4.213 4.340 -0.010 0.000 0.237 971 R C 2.465 178.760 176.300 -0.008 0.000 1.137 971 R CA 1.605 57.699 56.100 -0.010 0.000 0.951 971 R CB -1.098 29.197 30.300 -0.009 0.000 0.851 971 R HN 0.865 nan 8.270 nan 0.000 0.434 972 A N 0.727 123.544 122.820 -0.005 0.000 1.930 972 A HA -0.170 4.144 4.320 -0.010 0.000 0.217 972 A C 1.865 179.447 177.584 -0.004 0.000 1.175 972 A CA 1.501 53.536 52.037 -0.004 0.000 0.627 972 A CB -0.328 18.670 19.000 -0.003 0.000 0.815 972 A HN 0.467 nan 8.150 nan 0.000 0.443 973 E N -0.356 119.843 120.200 -0.002 0.000 2.047 973 E HA -0.168 4.176 4.350 -0.010 0.000 0.191 973 E C 2.328 178.927 176.600 -0.002 0.000 0.987 973 E CA 1.078 57.478 56.400 0.000 0.000 0.799 973 E CB -0.187 29.516 29.700 0.005 0.000 0.752 973 E HN 0.524 nan 8.360 nan 0.000 0.449 974 R N 0.596 121.092 120.500 -0.007 0.000 2.083 974 R HA -0.141 4.193 4.340 -0.010 0.000 0.237 974 R C 2.410 178.702 176.300 -0.014 0.000 1.137 974 R CA 1.275 57.367 56.100 -0.014 0.000 0.951 974 R CB -0.427 29.858 30.300 -0.025 0.000 0.851 974 R HN 0.125 nan 8.270 nan 0.000 0.434 975 A N 1.334 124.147 122.820 -0.012 0.000 1.933 975 A HA -0.144 4.170 4.320 -0.010 0.000 0.218 975 A C 2.164 179.744 177.584 -0.006 0.000 1.175 975 A CA 1.032 53.063 52.037 -0.010 0.000 0.628 975 A CB -0.435 18.559 19.000 -0.009 0.000 0.814 975 A HN 0.278 nan 8.150 nan 0.000 0.444 976 L N -0.295 120.926 121.223 -0.004 0.000 2.046 976 L HA -0.120 4.214 4.340 -0.010 0.000 0.208 976 L C 2.279 179.149 176.870 0.000 0.000 1.077 976 L CA 1.679 56.518 54.840 -0.001 0.000 0.747 976 L CB -0.269 41.790 42.059 -0.000 0.000 0.896 976 L HN 0.405 nan 8.230 nan 0.000 0.432 977 L N -0.974 120.248 121.223 -0.001 0.000 2.056 977 L HA -0.191 4.143 4.340 -0.010 0.000 0.207 977 L C 2.496 179.365 176.870 -0.002 0.000 1.078 977 L CA 1.276 56.116 54.840 0.000 0.000 0.749 977 L CB -0.530 41.529 42.059 0.000 0.000 0.901 977 L HN 0.276 nan 8.230 nan 0.000 0.433 978 I N 0.288 120.854 120.570 -0.007 0.000 2.142 978 I HA -0.328 3.836 4.170 -0.010 0.000 0.240 978 I C 2.272 178.389 176.117 -0.000 0.000 1.078 978 I CA 1.754 63.049 61.300 -0.009 0.000 1.343 978 I CB -0.382 37.607 38.000 -0.017 0.000 1.046 978 I HN 0.295 nan 8.210 nan 0.000 0.405 979 D N 0.897 121.297 120.400 0.001 0.000 2.133 979 D HA -0.308 4.326 4.640 -0.010 0.000 0.195 979 D C 2.081 178.387 176.300 0.011 0.000 0.997 979 D CA 1.729 55.733 54.000 0.006 0.000 0.840 979 D CB -0.052 40.750 40.800 0.004 0.000 0.947 979 D HN 0.354 nan 8.370 nan 0.000 0.452 980 E N -0.553 119.653 120.200 0.009 0.000 2.070 980 E HA -0.219 4.125 4.350 -0.010 0.000 0.197 980 E C 2.090 178.700 176.600 0.017 0.000 1.004 980 E CA 2.040 58.447 56.400 0.012 0.000 0.805 980 E CB -0.015 29.691 29.700 0.010 0.000 0.744 980 E HN 0.390 nan 8.360 nan 0.000 0.451 981 V N -1.870 118.054 119.914 0.016 0.000 3.235 981 V HA -0.040 4.074 4.120 -0.010 0.000 0.259 981 V C 2.215 178.327 176.094 0.031 0.000 1.133 981 V CA 0.788 63.101 62.300 0.022 0.000 1.128 981 V CB -0.371 31.462 31.823 0.017 0.000 0.757 981 V HN 0.360 nan 8.190 nan 0.000 0.469 982 C N -0.000 119.317 119.300 0.028 0.000 2.432 982 C HA -0.011 4.443 4.460 -0.010 0.000 0.280 982 C C 2.552 177.569 174.990 0.045 0.000 1.353 982 C CA 1.284 60.325 59.018 0.039 0.000 1.766 982 C CB -1.433 26.326 27.740 0.031 0.000 1.924 982 C HN 0.764 nan 8.230 nan 0.000 0.509 983 C N -0.549 118.773 119.300 0.036 0.000 3.038 983 C HA 0.162 4.616 4.460 -0.010 0.000 0.279 983 C C 0.727 175.738 174.990 0.035 0.000 1.276 983 C CA -0.214 58.825 59.018 0.035 0.000 1.697 983 C CB -1.634 26.121 27.740 0.026 0.000 2.032 983 C HN 0.639 nan 8.230 nan 0.000 0.636 984 Q N 1.982 121.804 119.800 0.037 0.000 2.257 984 Q HA 0.330 4.664 4.340 -0.010 0.000 0.255 984 Q C -1.034 174.994 176.000 0.047 0.000 0.920 984 Q CA -0.032 55.793 55.803 0.037 0.000 0.927 984 Q CB 0.572 29.329 28.738 0.033 0.000 1.229 984 Q HN 0.349 nan 8.270 nan 0.000 0.433 985 N N 2.644 121.370 118.700 0.043 0.000 2.430 985 N HA 0.165 4.899 4.740 -0.010 0.000 0.292 985 N C -1.490 174.048 175.510 0.047 0.000 1.051 985 N CA -0.428 52.651 53.050 0.049 0.000 0.917 985 N CB 1.485 39.993 38.487 0.035 0.000 1.164 985 N HN 0.510 nan 8.380 nan 0.000 0.484 986 D N 1.772 122.214 120.400 0.070 0.000 2.638 986 D HA 0.398 5.032 4.640 -0.010 0.000 0.245 986 D C 1.020 177.346 176.300 0.044 0.000 1.176 986 D CA 0.203 54.246 54.000 0.070 0.000 0.996 986 D CB -0.459 40.405 40.800 0.107 0.000 1.012 986 D HN 0.712 nan 8.370 nan 0.000 0.515 987 G N 3.788 112.591 108.800 0.005 0.000 2.543 987 G HA2 -0.281 3.673 3.960 -0.010 0.000 0.286 987 G HA3 -0.281 3.673 3.960 -0.010 0.000 0.286 987 G C -1.482 173.366 174.900 -0.087 0.000 1.153 987 G CA 0.029 45.103 45.100 -0.043 0.000 0.968 987 G HN 0.454 nan 8.290 nan 0.000 0.544 988 P HA 0.266 nan 4.420 nan 0.000 0.257 988 P C 0.123 177.239 177.300 -0.306 0.000 1.281 988 P CA 0.711 63.650 63.100 -0.269 0.000 0.826 988 P CB -0.116 31.374 31.700 -0.349 0.000 1.237 989 H N -1.964 117.078 119.070 -0.046 0.000 2.797 989 H HA 0.435 4.985 4.556 -0.010 0.000 0.372 989 H C -0.104 175.221 175.328 -0.006 0.000 1.168 989 H CA -0.998 54.990 56.048 -0.100 0.000 1.163 989 H CB 1.709 31.454 29.762 -0.028 0.000 1.778 989 H HN -0.227 nan 8.280 nan 0.000 0.551 990 S N 0.186 115.971 115.700 0.143 0.000 2.584 990 S HA 0.197 4.661 4.470 -0.010 0.000 0.270 990 S C 1.349 176.037 174.600 0.146 0.000 1.346 990 S CA 0.117 58.397 58.200 0.134 0.000 1.018 990 S CB 0.661 63.951 63.200 0.151 0.000 0.899 990 S HN 0.742 nan 8.310 nan 0.000 0.542 991 A N 3.767 126.647 122.820 0.100 0.000 1.902 991 A HA -0.011 4.303 4.320 -0.010 0.000 0.217 991 A C 2.043 179.661 177.584 0.056 0.000 1.181 991 A CA 1.272 53.355 52.037 0.076 0.000 0.623 991 A CB -0.756 18.276 19.000 0.054 0.000 0.818 991 A HN 0.825 nan 8.150 nan 0.000 0.443 992 L N -2.102 119.156 121.223 0.059 0.000 2.046 992 L HA -0.207 4.127 4.340 -0.010 0.000 0.208 992 L C 2.558 179.422 176.870 -0.011 0.000 1.077 992 L CA 1.798 56.658 54.840 0.033 0.000 0.747 992 L CB -0.664 41.433 42.059 0.063 0.000 0.896 992 L HN 0.599 nan 8.230 nan 0.000 0.432 993 Y N 0.827 121.025 120.300 -0.169 0.000 2.114 993 Y HA -0.334 4.209 4.550 -0.011 0.000 0.282 993 Y C 2.664 178.433 175.900 -0.219 0.000 1.165 993 Y CA 2.331 60.220 58.100 -0.352 0.000 1.148 993 Y CB -0.533 37.618 38.460 -0.515 0.000 0.972 993 Y HN 0.055 nan 8.280 nan 0.000 0.504 994 T N 0.941 115.468 114.554 -0.046 0.000 2.708 994 T HA -0.240 4.104 4.350 -0.010 0.000 0.266 994 T C 1.916 176.523 174.700 -0.154 0.000 1.037 994 T CA 2.101 64.150 62.100 -0.084 0.000 1.146 994 T CB -0.339 68.562 68.868 0.054 0.000 0.865 994 T HN 0.375 nan 8.240 nan 0.000 0.435 995 M N 0.230 119.770 119.600 -0.101 0.000 2.159 995 M HA 0.014 4.488 4.480 -0.010 0.000 0.263 995 M C 2.353 178.564 176.300 -0.148 0.000 1.063 995 M CA 1.508 56.752 55.300 -0.094 0.000 1.110 995 M CB -0.425 32.148 32.600 -0.045 0.000 1.374 995 M HN 0.235 nan 8.290 nan 0.000 0.411 996 M N 0.242 119.728 119.600 -0.189 0.000 2.319 996 M HA -0.135 4.339 4.480 -0.010 0.000 0.265 996 M C 1.954 178.074 176.300 -0.300 0.000 1.068 996 M CA 1.288 56.478 55.300 -0.183 0.000 1.118 996 M CB -0.397 32.113 32.600 -0.151 0.000 1.395 996 M HN 0.258 nan 8.290 nan 0.000 0.435 997 K N -0.200 119.907 120.400 -0.489 0.000 2.426 997 K HA 0.058 4.371 4.320 -0.010 0.000 0.193 997 K C -0.066 176.219 176.600 -0.525 0.000 1.028 997 K CA 0.316 56.106 56.287 -0.827 0.000 1.047 997 K CB -0.080 31.970 32.500 -0.750 0.000 0.821 997 K HN 0.089 nan 8.250 nan 0.000 0.513 998 D N 2.233 122.449 120.400 -0.307 0.000 2.304 998 D HA -0.035 4.599 4.640 -0.010 0.000 0.250 998 D C 1.181 177.229 176.300 -0.421 0.000 1.107 998 D CA -0.332 53.523 54.000 -0.243 0.000 0.885 998 D CB 1.363 42.074 40.800 -0.148 0.000 1.192 998 D HN 0.276 nan 8.370 nan 0.000 0.436 999 Q N 2.248 121.740 119.800 -0.513 0.000 2.226 999 Q HA -0.219 4.115 4.340 -0.010 0.000 0.204 999 Q C 0.674 176.179 176.000 -0.826 0.000 0.975 999 Q CA 1.416 56.678 55.803 -0.901 0.000 0.866 999 Q CB -0.180 28.117 28.738 -0.735 0.000 0.915 999 Q HN 0.700 nan 8.270 nan 0.000 0.440 1000 Y N 0.120 120.254 120.300 -0.278 0.000 2.464 1000 Y HA 0.335 4.879 4.550 -0.010 0.000 0.288 1000 Y C 2.634 178.464 175.900 -0.117 0.000 1.133 1000 Y CA 0.099 58.091 58.100 -0.180 0.000 1.223 1000 Y CB 0.060 38.439 38.460 -0.135 0.000 1.187 1000 Y HN 0.191 nan 8.280 nan 0.000 0.539 1001 A N 0.487 123.317 122.820 0.017 0.000 2.066 1001 A HA -0.175 4.139 4.320 -0.010 0.000 0.218 1001 A C 2.005 179.567 177.584 -0.038 0.000 1.157 1001 A CA 1.366 53.404 52.037 0.002 0.000 0.670 1001 A CB -0.706 18.286 19.000 -0.013 0.000 0.804 1001 A HN 0.495 nan 8.150 nan 0.000 0.453 1002 N N -0.906 117.724 118.700 -0.117 0.000 2.104 1002 N HA -0.237 4.497 4.740 -0.010 0.000 0.190 1002 N C 1.617 177.130 175.510 0.006 0.000 1.024 1002 N CA 1.865 54.867 53.050 -0.081 0.000 0.853 1002 N CB -0.374 38.024 38.487 -0.147 0.000 1.008 1002 N HN 0.544 nan 8.380 nan 0.000 0.424 1003 Y N 1.484 121.713 120.300 -0.119 0.000 2.242 1003 Y HA -0.101 4.444 4.550 -0.009 0.000 0.291 1003 Y C 2.402 178.271 175.900 -0.051 0.000 1.137 1003 Y CA 0.938 58.986 58.100 -0.086 0.000 1.181 1003 Y CB -0.379 38.030 38.460 -0.085 0.000 0.989 1003 Y HN -0.137 nan 8.280 nan 0.000 0.527 1004 V N -1.099 118.811 119.914 -0.007 0.000 2.287 1004 V HA -0.338 3.776 4.120 -0.010 0.000 0.248 1004 V C 2.348 178.381 176.094 -0.103 0.000 1.053 1004 V CA 1.872 64.134 62.300 -0.063 0.000 1.027 1004 V CB -1.019 30.804 31.823 0.001 0.000 0.646 1004 V HN 0.292 nan 8.190 nan 0.000 0.447 1005 V N -0.422 119.451 119.914 -0.069 0.000 2.332 1005 V HA -0.346 3.768 4.120 -0.010 0.000 0.248 1005 V C 2.482 178.523 176.094 -0.088 0.000 1.055 1005 V CA 2.149 64.412 62.300 -0.060 0.000 1.038 1005 V CB -0.835 30.968 31.823 -0.033 0.000 0.651 1005 V HN 0.599 nan 8.190 nan 0.000 0.450 1006 Q N -0.316 119.415 119.800 -0.115 0.000 2.077 1006 Q HA -0.252 4.082 4.340 -0.010 0.000 0.206 1006 Q C 2.407 178.286 176.000 -0.202 0.000 0.989 1006 Q CA 1.547 57.263 55.803 -0.144 0.000 0.853 1006 Q CB -0.251 28.370 28.738 -0.194 0.000 0.907 1006 Q HN 0.490 nan 8.270 nan 0.000 0.418 1007 K N 0.292 120.516 120.400 -0.293 0.000 2.103 1007 K HA -0.028 4.286 4.320 -0.010 0.000 0.204 1007 K C 1.996 178.502 176.600 -0.155 0.000 1.052 1007 K CA 1.036 57.168 56.287 -0.259 0.000 0.945 1007 K CB -0.184 32.132 32.500 -0.306 0.000 0.722 1007 K HN 0.326 nan 8.250 nan 0.000 0.443 1008 M N 0.480 120.006 119.600 -0.124 0.000 2.117 1008 M HA -0.156 4.318 4.480 -0.010 0.000 0.262 1008 M C 1.990 178.240 176.300 -0.082 0.000 1.065 1008 M CA 1.225 56.474 55.300 -0.085 0.000 1.114 1008 M CB -0.375 32.188 32.600 -0.063 0.000 1.361 1008 M HN -0.017 nan 8.290 nan 0.000 0.408 1009 I N 0.745 121.263 120.570 -0.087 0.000 2.127 1009 I HA -0.304 3.860 4.170 -0.010 0.000 0.241 1009 I C 1.913 177.981 176.117 -0.082 0.000 1.075 1009 I CA 1.784 63.029 61.300 -0.090 0.000 1.334 1009 I CB -1.676 36.275 38.000 -0.082 0.000 1.040 1009 I HN 0.275 nan 8.210 nan 0.000 0.405 1010 D N 0.374 120.723 120.400 -0.085 0.000 2.104 1010 D HA -0.164 4.469 4.640 -0.010 0.000 0.194 1010 D C 2.241 178.499 176.300 -0.070 0.000 0.994 1010 D CA 1.218 55.174 54.000 -0.074 0.000 0.830 1010 D CB -0.126 40.619 40.800 -0.092 0.000 0.959 1010 D HN 0.209 nan 8.370 nan 0.000 0.452 1011 M N 0.350 119.901 119.600 -0.082 0.000 2.447 1011 M HA 0.178 4.652 4.480 -0.010 0.000 0.264 1011 M C 0.793 177.060 176.300 -0.056 0.000 1.095 1011 M CA -0.060 55.195 55.300 -0.074 0.000 1.125 1011 M CB -0.868 31.679 32.600 -0.088 0.000 1.389 1011 M HN -0.194 nan 8.290 nan 0.000 0.459 1012 A N 2.091 124.878 122.820 -0.055 0.000 2.546 1012 A HA 0.072 4.386 4.320 -0.010 0.000 0.243 1012 A C 0.540 178.106 177.584 -0.030 0.000 1.063 1012 A CA -0.045 51.966 52.037 -0.043 0.000 0.757 1012 A CB -0.012 18.957 19.000 -0.052 0.000 0.991 1012 A HN 0.316 nan 8.150 nan 0.000 0.503 1013 E N 2.693 122.881 120.200 -0.021 0.000 2.436 1013 E HA 0.001 4.345 4.350 -0.010 0.000 0.262 1013 E C -1.440 175.159 176.600 -0.002 0.000 1.063 1013 E CA -1.292 55.102 56.400 -0.011 0.000 0.944 1013 E CB -0.089 29.606 29.700 -0.008 0.000 0.950 1013 E HN 0.394 nan 8.360 nan 0.000 0.444 1014 P HA -0.226 nan 4.420 nan 0.000 0.217 1014 P C 0.871 178.190 177.300 0.032 0.000 1.148 1014 P CA 2.142 65.261 63.100 0.032 0.000 0.834 1014 P CB 0.222 31.939 31.700 0.029 0.000 0.783 1015 A N -0.924 121.905 122.820 0.015 0.000 1.874 1015 A HA -0.174 4.140 4.320 -0.010 0.000 0.214 1015 A C 2.345 179.933 177.584 0.006 0.000 1.189 1015 A CA 1.229 53.273 52.037 0.013 0.000 0.615 1015 A CB -1.223 17.781 19.000 0.006 0.000 0.830 1015 A HN 0.116 nan 8.150 nan 0.000 0.443 1016 Q N -0.804 118.994 119.800 -0.003 0.000 2.167 1016 Q HA -0.152 4.182 4.340 -0.010 0.000 0.202 1016 Q C 2.341 178.326 176.000 -0.024 0.000 0.970 1016 Q CA 1.344 57.141 55.803 -0.010 0.000 0.855 1016 Q CB -0.098 28.631 28.738 -0.014 0.000 0.911 1016 Q HN 0.641 nan 8.270 nan 0.000 0.438 1017 R N 0.358 120.835 120.500 -0.038 0.000 2.081 1017 R HA -0.140 4.194 4.340 -0.010 0.000 0.235 1017 R C 1.994 178.206 176.300 -0.146 0.000 1.131 1017 R CA 1.074 57.114 56.100 -0.101 0.000 0.960 1017 R CB 0.085 30.328 30.300 -0.094 0.000 0.856 1017 R HN 0.031 nan 8.270 nan 0.000 0.436 1018 K N 0.662 121.044 120.400 -0.030 0.000 2.034 1018 K HA -0.193 4.121 4.320 -0.010 0.000 0.214 1018 K C 2.114 178.742 176.600 0.047 0.000 1.051 1018 K CA 1.826 58.143 56.287 0.049 0.000 0.931 1018 K CB -0.386 32.164 32.500 0.083 0.000 0.715 1018 K HN 0.276 nan 8.250 nan 0.000 0.446 1019 I N 0.827 121.415 120.570 0.030 0.000 2.179 1019 I HA -0.290 3.874 4.170 -0.010 0.000 0.242 1019 I C 2.300 178.466 176.117 0.083 0.000 1.088 1019 I CA 1.122 62.459 61.300 0.061 0.000 1.357 1019 I CB -0.327 37.692 38.000 0.033 0.000 1.051 1019 I HN 0.076 nan 8.210 nan 0.000 0.409 1020 I N -0.064 120.517 120.570 0.017 0.000 2.099 1020 I HA -0.315 3.849 4.170 -0.010 0.000 0.239 1020 I C 2.616 178.741 176.117 0.014 0.000 1.066 1020 I CA 1.350 62.655 61.300 0.008 0.000 1.324 1020 I CB -0.547 37.430 38.000 -0.038 0.000 1.037 1020 I HN 0.201 nan 8.210 nan 0.000 0.401 1021 M N -0.022 119.531 119.600 -0.078 0.000 2.144 1021 M HA -0.270 4.204 4.480 -0.010 0.000 0.260 1021 M C 2.463 178.869 176.300 0.176 0.000 1.067 1021 M CA 1.832 57.096 55.300 -0.060 0.000 1.095 1021 M CB -1.566 30.725 32.600 -0.515 0.000 1.365 1021 M HN 0.426 nan 8.290 nan 0.000 0.406 1022 H N 0.702 119.836 119.070 0.107 0.000 2.389 1022 H HA -0.070 4.479 4.556 -0.012 0.000 0.299 1022 H C 1.548 176.928 175.328 0.086 0.000 1.081 1022 H CA 1.333 57.464 56.048 0.137 0.000 1.345 1022 H CB 0.283 30.113 29.762 0.112 0.000 1.393 1022 H HN 0.373 nan 8.280 nan 0.000 0.520 1023 K N -0.163 120.305 120.400 0.112 0.000 2.365 1023 K HA 0.010 4.324 4.320 -0.010 0.000 0.197 1023 K C 1.833 178.503 176.600 0.117 0.000 1.042 1023 K CA 0.096 56.435 56.287 0.087 0.000 0.987 1023 K CB 0.688 33.270 32.500 0.136 0.000 0.779 1023 K HN 0.193 nan 8.250 nan 0.000 0.484 1024 I N 0.953 121.588 120.570 0.107 0.000 2.480 1024 I HA -0.094 4.070 4.170 -0.010 0.000 0.251 1024 I C 2.270 178.444 176.117 0.094 0.000 1.124 1024 I CA 0.920 62.310 61.300 0.150 0.000 1.444 1024 I CB -0.832 37.231 38.000 0.105 0.000 1.098 1024 I HN 0.118 nan 8.210 nan 0.000 0.428 1025 R N 1.416 121.918 120.500 0.003 0.000 2.113 1025 R HA -0.161 4.173 4.340 -0.010 0.000 0.244 1025 R C -0.638 175.565 176.300 -0.162 0.000 1.142 1025 R CA 1.970 58.017 56.100 -0.088 0.000 0.953 1025 R CB -1.065 29.123 30.300 -0.185 0.000 0.860 1025 R HN 0.265 nan 8.270 nan 0.000 0.438 1026 P HA -0.080 nan 4.420 nan 0.000 0.242 1026 P C -0.480 176.562 177.300 -0.429 0.000 1.197 1026 P CA 1.228 64.092 63.100 -0.392 0.000 0.765 1026 P CB 0.088 31.485 31.700 -0.505 0.000 0.936 1027 H N -1.049 118.045 119.070 0.041 0.000 2.472 1027 H HA 0.308 4.858 4.556 -0.010 0.000 0.287 1027 H C 1.701 177.070 175.328 0.068 0.000 1.112 1027 H CA -0.478 55.629 56.048 0.099 0.000 1.021 1027 H CB -0.011 29.866 29.762 0.191 0.000 1.635 1027 H HN 0.148 nan 8.280 nan 0.000 0.559 1028 I N 1.175 121.796 120.570 0.086 0.000 2.179 1028 I HA -0.258 3.906 4.170 -0.010 0.000 0.242 1028 I C 2.612 178.767 176.117 0.065 0.000 1.088 1028 I CA 1.932 63.269 61.300 0.061 0.000 1.357 1028 I CB -0.078 37.929 38.000 0.012 0.000 1.051 1028 I HN 0.289 nan 8.210 nan 0.000 0.409 1029 T N -2.627 111.962 114.554 0.059 0.000 2.833 1029 T HA -0.141 4.203 4.350 -0.010 0.000 0.269 1029 T C 1.756 176.497 174.700 0.069 0.000 1.054 1029 T CA 1.765 63.894 62.100 0.048 0.000 1.135 1029 T CB -0.861 68.028 68.868 0.036 0.000 0.869 1029 T HN 0.246 nan 8.240 nan 0.000 0.466 1030 T N 2.254 116.887 114.554 0.132 0.000 2.821 1030 T HA 0.168 4.512 4.350 -0.010 0.000 0.267 1030 T C 1.909 176.713 174.700 0.173 0.000 1.046 1030 T CA 0.848 63.044 62.100 0.159 0.000 1.139 1030 T CB -0.457 68.548 68.868 0.229 0.000 0.871 1030 T HN 0.265 nan 8.240 nan 0.000 0.454 1031 L N 0.626 121.934 121.223 0.140 0.000 2.046 1031 L HA -0.079 4.255 4.340 -0.010 0.000 0.208 1031 L C 2.837 179.763 176.870 0.093 0.000 1.077 1031 L CA 1.321 56.239 54.840 0.131 0.000 0.747 1031 L CB -0.424 41.691 42.059 0.093 0.000 0.896 1031 L HN 0.168 nan 8.230 nan 0.000 0.432 1032 R N 0.054 120.575 120.500 0.036 0.000 2.241 1032 R HA -0.150 4.184 4.340 -0.010 0.000 0.224 1032 R C 1.985 178.233 176.300 -0.086 0.000 1.101 1032 R CA 0.783 56.871 56.100 -0.020 0.000 0.995 1032 R CB -0.224 30.064 30.300 -0.021 0.000 0.870 1032 R HN 0.431 nan 8.270 nan 0.000 0.463 1033 K N -0.286 120.035 120.400 -0.132 0.000 2.288 1033 K HA -0.046 4.268 4.320 -0.010 0.000 0.201 1033 K C -0.096 176.173 176.600 -0.552 0.000 1.048 1033 K CA 0.789 56.864 56.287 -0.353 0.000 0.956 1033 K CB 0.152 32.358 32.500 -0.490 0.000 0.746 1033 K HN 0.095 nan 8.250 nan 0.000 0.461 1034 Y N -0.202 119.932 120.300 -0.277 0.000 2.360 1034 Y HA 0.036 4.580 4.550 -0.011 0.000 0.337 1034 Y C 1.673 177.274 175.900 -0.498 0.000 1.039 1034 Y CA -0.503 57.283 58.100 -0.524 0.000 1.109 1034 Y CB 1.743 39.701 38.460 -0.837 0.000 1.201 1034 Y HN -0.179 nan 8.280 nan 0.000 0.458 1035 T N 1.870 116.219 114.554 -0.342 0.000 2.778 1035 T HA -0.264 4.080 4.350 -0.010 0.000 0.269 1035 T C 1.257 175.897 174.700 -0.100 0.000 1.050 1035 T CA 2.332 64.327 62.100 -0.175 0.000 1.137 1035 T CB -0.352 68.475 68.868 -0.069 0.000 0.860 1035 T HN 0.722 nan 8.240 nan 0.000 0.468 1036 Y N -1.156 119.195 120.300 0.085 0.000 2.466 1036 Y HA 0.547 5.090 4.550 -0.011 0.000 0.272 1036 Y C 2.284 178.237 175.900 0.088 0.000 1.169 1036 Y CA -0.181 57.983 58.100 0.105 0.000 1.285 1036 Y CB -0.850 37.696 38.460 0.143 0.000 1.078 1036 Y HN 0.070 nan 8.280 nan 0.000 0.523 1037 G N 1.705 110.526 108.800 0.035 0.000 2.479 1037 G HA2 -0.294 3.660 3.960 -0.010 0.000 0.220 1037 G HA3 -0.294 3.660 3.960 -0.010 0.000 0.220 1037 G C 1.667 176.584 174.900 0.028 0.000 1.115 1037 G CA 0.823 45.967 45.100 0.074 0.000 0.757 1037 G HN 0.437 nan 8.290 nan 0.000 0.560 1038 K N 0.270 120.620 120.400 -0.082 0.000 2.077 1038 K HA -0.267 4.047 4.320 -0.010 0.000 0.213 1038 K C 2.122 178.638 176.600 -0.141 0.000 1.051 1038 K CA 1.791 57.972 56.287 -0.177 0.000 0.929 1038 K CB -0.393 31.904 32.500 -0.339 0.000 0.715 1038 K HN 0.482 nan 8.250 nan 0.000 0.451 1039 H N 0.187 119.316 119.070 0.098 0.000 2.299 1039 H HA -0.073 4.477 4.556 -0.011 0.000 0.302 1039 H C 2.457 177.829 175.328 0.073 0.000 1.078 1039 H CA 1.666 57.767 56.048 0.089 0.000 1.323 1039 H CB -0.342 29.487 29.762 0.111 0.000 1.381 1039 H HN 0.246 nan 8.280 nan 0.000 0.498 1040 I N 0.830 121.518 120.570 0.196 0.000 2.252 1040 I HA -0.233 3.931 4.170 -0.010 0.000 0.245 1040 I C 2.582 178.762 176.117 0.105 0.000 1.102 1040 I CA 0.672 62.046 61.300 0.124 0.000 1.385 1040 I CB -0.272 37.791 38.000 0.106 0.000 1.064 1040 I HN 0.074 nan 8.210 nan 0.000 0.414 1041 L N 0.671 121.948 121.223 0.091 0.000 2.013 1041 L HA -0.274 4.060 4.340 -0.010 0.000 0.212 1041 L C 2.859 179.782 176.870 0.088 0.000 1.073 1041 L CA 1.681 56.568 54.840 0.079 0.000 0.753 1041 L CB -0.709 41.379 42.059 0.049 0.000 0.890 1041 L HN 0.271 nan 8.230 nan 0.000 0.432 1042 A N -0.328 122.538 122.820 0.077 0.000 1.933 1042 A HA -0.218 4.096 4.320 -0.010 0.000 0.218 1042 A C 2.300 179.944 177.584 0.099 0.000 1.175 1042 A CA 1.680 53.764 52.037 0.080 0.000 0.628 1042 A CB -0.335 18.707 19.000 0.070 0.000 0.814 1042 A HN 0.353 nan 8.150 nan 0.000 0.444 1043 K N -0.462 120.000 120.400 0.104 0.000 2.025 1043 K HA -0.039 4.275 4.320 -0.010 0.000 0.207 1043 K C 1.864 178.548 176.600 0.140 0.000 1.049 1043 K CA 1.369 57.715 56.287 0.099 0.000 0.933 1043 K CB -0.422 32.117 32.500 0.065 0.000 0.714 1043 K HN 0.447 nan 8.250 nan 0.000 0.438 1044 L N 1.309 122.633 121.223 0.168 0.000 2.042 1044 L HA -0.235 4.099 4.340 -0.010 0.000 0.210 1044 L C 2.326 179.414 176.870 0.363 0.000 1.076 1044 L CA 1.498 56.521 54.840 0.305 0.000 0.749 1044 L CB -0.386 41.839 42.059 0.277 0.000 0.893 1044 L HN 0.236 nan 8.230 nan 0.000 0.432 1045 E N -0.174 120.159 120.200 0.221 0.000 2.051 1045 E HA -0.270 4.074 4.350 -0.010 0.000 0.192 1045 E C 2.197 178.890 176.600 0.156 0.000 0.991 1045 E CA 1.182 57.689 56.400 0.178 0.000 0.799 1045 E CB -0.054 29.712 29.700 0.109 0.000 0.748 1045 E HN 0.325 nan 8.360 nan 0.000 0.449 1046 K N 0.112 120.590 120.400 0.130 0.000 2.057 1046 K HA -0.202 4.112 4.320 -0.010 0.000 0.207 1046 K C 2.116 178.762 176.600 0.077 0.000 1.049 1046 K CA 1.157 57.498 56.287 0.091 0.000 0.931 1046 K CB -0.154 32.396 32.500 0.083 0.000 0.714 1046 K HN 0.109 nan 8.250 nan 0.000 0.440 1047 Y N -0.112 120.162 120.300 -0.044 0.000 2.293 1047 Y HA -0.174 4.379 4.550 0.006 0.000 0.291 1047 Y C 0.482 176.198 175.900 -0.306 0.000 1.137 1047 Y CA 1.397 59.371 58.100 -0.209 0.000 1.202 1047 Y CB 0.164 38.425 38.460 -0.332 0.000 0.990 1047 Y HN 0.051 nan 8.280 nan 0.000 0.537 1048 Y N 0.610 120.948 120.300 0.063 0.000 2.867 1048 Y HA 0.361 4.903 4.550 -0.013 0.000 0.351 1048 Y C 0.060 175.946 175.900 -0.024 0.000 1.046 1048 Y CA -0.432 57.667 58.100 -0.002 0.000 1.520 1048 Y CB -0.277 38.231 38.460 0.081 0.000 1.337 1048 Y HN 0.099 nan 8.280 nan 0.000 0.525 1049 L N 0.000 121.234 121.223 0.018 0.000 2.949 1049 L HA 0.000 4.334 4.340 -0.010 0.000 0.249 1049 L CA 0.000 54.848 54.840 0.013 0.000 0.813 1049 L CB 0.000 42.067 42.059 0.014 0.000 0.961 1049 L HN 0.000 nan 8.230 nan 0.000 0.502