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 2pjr_1_F DATA FIRST_RESID 704 DATA SEQUENCE LSEQLLAHLN KEQQEAVRTT EGPLLIMAGA GSGKTRVLTH RIAYLMAEKH DATA SEQUENCE VAPWNILAIT FTNKAAREMR ERVQSLLGGA AEDVWISTFH SMCVRILRRD DATA SEQUENCE IDRIGINRNF SILDPTDQLS VMKTILKEKN IDPKKFEPRT ILGTISAAKN DATA SEQUENCE ELLPPEQFAK RASTYYEKVV SDVYQEYQQR LLRNHSLDFD DLIMTTIQLF DATA SEQUENCE DRVPDVLHYY QYKFQYIHID EYQDTNRAQY TLVKKLAERF QNICAVGDAD DATA SEQUENCE QSIYRWRGAD IQNILSFERD YPNAKVILLE QNYRSTKRIL QAANEVIEHN DATA SEQUENCE VNRKPKRIWT ENPEGKPILY YEAMNEADEA QFVAGRIREA VERGERRYRD DATA SEQUENCE FAVLYRTNAQ SRVMEEMLLK ANIPYQIVGG LKFYDRKEIK DILAYLRVIA DATA SEQUENCE NPDDDLSLLR IINVPKRGIG ASTIDKLVRY AADHELSLFE ALGELEMIGL DATA SEQUENCE GAKAAGALAA FRSQLEQWTQ LQEYVSVTEL VEEVLDKSGY REMLKAERTI DATA SEQUENCE EAQSRLENLD EFLSVTKHFE NVSDDKSLIA FLTDLALISD LDEL 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 704 L HA 0.000 nan 4.340 nan 0.000 0.249 704 L C 0.000 176.865 176.870 -0.008 0.000 1.165 704 L CA 0.000 54.824 54.840 -0.027 0.000 0.813 704 L CB 0.000 42.032 42.059 -0.044 0.000 0.961 705 S N 1.349 117.053 115.700 0.007 0.000 2.723 705 S HA 0.057 4.528 4.470 0.002 0.000 0.231 705 S C 1.097 175.760 174.600 0.105 0.000 0.967 705 S CA 0.886 59.142 58.200 0.094 0.000 0.958 705 S CB -0.421 62.824 63.200 0.076 0.000 0.778 705 S HN 0.571 nan 8.310 nan 0.000 0.537 706 E N 1.176 121.404 120.200 0.047 0.000 2.290 706 E HA 0.048 4.399 4.350 0.002 0.000 0.197 706 E C 1.804 178.421 176.600 0.029 0.000 0.948 706 E CA 0.289 56.712 56.400 0.038 0.000 0.895 706 E CB -0.088 29.625 29.700 0.022 0.000 0.865 706 E HN 0.619 nan 8.360 nan 0.000 0.486 707 Q N 0.728 120.538 119.800 0.017 0.000 2.123 707 Q HA 0.078 4.419 4.340 0.002 0.000 0.196 707 Q C 2.507 178.529 176.000 0.037 0.000 0.958 707 Q CA 0.387 56.198 55.803 0.015 0.000 0.841 707 Q CB 0.088 28.817 28.738 -0.015 0.000 0.915 707 Q HN 0.188 nan 8.270 nan 0.000 0.455 708 L N 0.740 121.965 121.223 0.003 0.000 2.030 708 L HA -0.273 4.068 4.340 0.002 0.000 0.222 708 L C 2.252 179.182 176.870 0.099 0.000 1.082 708 L CA 1.612 56.438 54.840 -0.023 0.000 0.785 708 L CB -0.683 41.373 42.059 -0.005 0.000 0.895 708 L HN 0.314 nan 8.230 nan 0.000 0.439 709 L N -1.050 120.189 121.223 0.027 0.000 2.509 709 L HA 0.070 4.411 4.340 0.002 0.000 0.222 709 L C 1.775 178.663 176.870 0.031 0.000 1.123 709 L CA 0.168 55.001 54.840 -0.012 0.000 0.856 709 L CB -0.375 41.637 42.059 -0.079 0.000 0.985 709 L HN 0.130 nan 8.230 nan 0.000 0.456 710 A N -1.080 121.780 122.820 0.066 0.000 2.929 710 A HA 0.062 4.383 4.320 0.002 0.000 0.279 710 A C 1.047 178.713 177.584 0.136 0.000 1.418 710 A CA -0.009 52.070 52.037 0.071 0.000 1.035 710 A CB -0.967 18.061 19.000 0.046 0.000 1.047 710 A HN 0.583 nan 8.150 nan 0.000 0.609 711 H N -1.361 117.717 119.070 0.013 0.000 3.935 711 H HA 0.351 4.908 4.556 0.002 0.000 0.264 711 H C -0.863 174.440 175.328 -0.042 0.000 1.148 711 H CA -0.140 55.913 56.048 0.009 0.000 1.177 711 H CB 0.311 30.119 29.762 0.077 0.000 1.511 711 H HN 0.374 nan 8.280 nan 0.000 0.745 712 L N 2.599 123.784 121.223 -0.064 0.000 2.333 712 L HA 0.317 4.658 4.340 0.002 0.000 0.269 712 L C 0.311 177.145 176.870 -0.059 0.000 1.010 712 L CA -1.139 53.596 54.840 -0.176 0.000 0.818 712 L CB 1.936 43.862 42.059 -0.221 0.000 1.306 712 L HN 0.313 nan 8.230 nan 0.000 0.430 713 N N 0.689 119.372 118.700 -0.029 0.000 2.263 713 N HA 0.088 4.829 4.740 0.002 0.000 0.239 713 N C 0.154 175.676 175.510 0.020 0.000 1.317 713 N CA -0.781 52.298 53.050 0.048 0.000 0.909 713 N CB 0.700 39.260 38.487 0.121 0.000 1.171 713 N HN 0.568 nan 8.380 nan 0.000 0.492 714 K N -0.084 120.343 120.400 0.045 0.000 2.280 714 K HA -0.137 4.184 4.320 0.002 0.000 0.202 714 K C 1.032 177.639 176.600 0.012 0.000 1.047 714 K CA 1.385 57.687 56.287 0.025 0.000 0.942 714 K CB -0.139 32.386 32.500 0.041 0.000 0.739 714 K HN 0.573 nan 8.250 nan 0.000 0.457 715 E N 1.355 121.569 120.200 0.023 0.000 2.086 715 E HA -0.069 4.282 4.350 0.002 0.000 0.190 715 E C 2.060 178.641 176.600 -0.032 0.000 0.975 715 E CA 0.702 57.107 56.400 0.008 0.000 0.813 715 E CB 0.102 29.821 29.700 0.031 0.000 0.768 715 E HN 0.263 nan 8.360 nan 0.000 0.457 716 Q N 0.472 120.240 119.800 -0.053 0.000 2.084 716 Q HA -0.201 4.140 4.340 0.002 0.000 0.202 716 Q C 2.189 178.116 176.000 -0.121 0.000 0.978 716 Q CA 1.314 57.053 55.803 -0.107 0.000 0.844 716 Q CB -0.072 28.567 28.738 -0.165 0.000 0.898 716 Q HN 0.334 nan 8.270 nan 0.000 0.426 717 Q N 0.751 120.486 119.800 -0.108 0.000 2.014 717 Q HA -0.246 4.095 4.340 0.002 0.000 0.207 717 Q C 2.013 177.934 176.000 -0.131 0.000 0.993 717 Q CA 1.459 57.183 55.803 -0.131 0.000 0.850 717 Q CB -0.163 28.520 28.738 -0.090 0.000 0.916 717 Q HN 0.390 nan 8.270 nan 0.000 0.417 718 E N -0.085 120.068 120.200 -0.077 0.000 2.171 718 E HA -0.237 4.114 4.350 0.002 0.000 0.197 718 E C 1.831 178.396 176.600 -0.058 0.000 0.997 718 E CA 0.934 57.301 56.400 -0.054 0.000 0.810 718 E CB -0.036 29.648 29.700 -0.025 0.000 0.738 718 E HN 0.382 nan 8.360 nan 0.000 0.467 719 A N 0.054 122.832 122.820 -0.069 0.000 1.897 719 A HA -0.098 4.223 4.320 0.002 0.000 0.215 719 A C 2.344 179.891 177.584 -0.061 0.000 1.181 719 A CA 0.954 52.955 52.037 -0.060 0.000 0.620 719 A CB -0.369 18.590 19.000 -0.067 0.000 0.821 719 A HN 0.184 nan 8.150 nan 0.000 0.443 720 V N -0.274 119.569 119.914 -0.117 0.000 2.358 720 V HA -0.176 3.945 4.120 0.002 0.000 0.246 720 V C 2.611 178.581 176.094 -0.207 0.000 1.047 720 V CA 2.038 64.240 62.300 -0.163 0.000 1.035 720 V CB -0.656 30.999 31.823 -0.280 0.000 0.658 720 V HN 0.517 nan 8.190 nan 0.000 0.452 721 R N -0.495 119.864 120.500 -0.236 0.000 2.148 721 R HA -0.044 4.297 4.340 0.002 0.000 0.223 721 R C 0.791 177.141 176.300 0.083 0.000 1.088 721 R CA 0.865 56.912 56.100 -0.087 0.000 0.985 721 R CB -0.131 30.117 30.300 -0.086 0.000 0.880 721 R HN 0.378 nan 8.270 nan 0.000 0.451 722 T N 0.790 115.366 114.554 0.036 0.000 3.414 722 T HA 0.018 4.369 4.350 0.002 0.000 0.304 722 T C 1.012 175.759 174.700 0.079 0.000 1.241 722 T CA 0.064 62.196 62.100 0.053 0.000 1.076 722 T CB 0.966 69.846 68.868 0.020 0.000 1.134 722 T HN 0.328 nan 8.240 nan 0.000 0.759 723 T N -1.052 113.578 114.554 0.127 0.000 3.057 723 T HA 0.121 4.472 4.350 0.002 0.000 0.254 723 T C 0.574 175.413 174.700 0.232 0.000 1.094 723 T CA -0.048 62.152 62.100 0.166 0.000 1.088 723 T CB 0.311 69.254 68.868 0.125 0.000 0.934 723 T HN 0.216 nan 8.240 nan 0.000 0.497 724 E N 1.676 121.966 120.200 0.150 0.000 2.227 724 E HA 0.556 4.907 4.350 0.002 0.000 0.282 724 E C 1.029 177.660 176.600 0.052 0.000 1.015 724 E CA 0.323 56.792 56.400 0.115 0.000 0.823 724 E CB 0.955 30.713 29.700 0.098 0.000 1.081 724 E HN 0.576 nan 8.360 nan 0.000 0.396 725 G N 4.377 113.182 108.800 0.009 0.000 2.697 725 G HA2 -0.221 3.740 3.960 0.002 0.000 0.240 725 G HA3 -0.221 3.740 3.960 0.002 0.000 0.240 725 G C -2.521 172.366 174.900 -0.023 0.000 1.346 725 G CA -1.012 44.089 45.100 0.001 0.000 0.887 725 G HN 0.432 nan 8.290 nan 0.000 0.569 726 P HA 0.506 nan 4.420 nan 0.000 0.271 726 P C -0.389 176.940 177.300 0.048 0.000 1.216 726 P CA 0.048 63.142 63.100 -0.010 0.000 0.771 726 P CB 1.060 32.766 31.700 0.011 0.000 0.864 727 L N 4.400 125.614 121.223 -0.015 0.000 2.543 727 L HA 0.548 4.889 4.340 0.002 0.000 0.265 727 L C -1.977 174.658 176.870 -0.391 0.000 0.945 727 L CA -0.781 53.989 54.840 -0.116 0.000 0.869 727 L CB 1.908 43.909 42.059 -0.097 0.000 1.294 727 L HN 0.107 nan 8.230 nan 0.000 0.405 728 L N 6.253 127.216 121.223 -0.434 0.000 2.294 728 L HA 0.636 4.977 4.340 0.002 0.000 0.283 728 L C -1.126 175.557 176.870 -0.311 0.000 1.015 728 L CA 0.000 54.451 54.840 -0.648 0.000 0.831 728 L CB 0.956 42.631 42.059 -0.640 0.000 1.217 728 L HN 0.586 nan 8.230 nan 0.000 0.420 729 I N 6.269 126.680 120.570 -0.265 0.000 2.297 729 I HA 0.241 4.412 4.170 0.002 0.000 0.291 729 I C -0.017 176.039 176.117 -0.101 0.000 1.033 729 I CA -0.292 60.924 61.300 -0.141 0.000 1.253 729 I CB 1.212 39.149 38.000 -0.104 0.000 1.396 729 I HN 0.536 nan 8.210 nan 0.000 0.476 730 M N 6.295 125.855 119.600 -0.068 0.000 3.176 730 M HA 0.275 4.756 4.480 0.002 0.000 0.284 730 M C 0.159 176.444 176.300 -0.025 0.000 1.392 730 M CA -0.466 54.813 55.300 -0.034 0.000 1.520 730 M CB 0.164 32.754 32.600 -0.018 0.000 1.100 730 M HN 0.560 nan 8.290 nan 0.000 0.555 731 A N 2.159 124.964 122.820 -0.025 0.000 2.347 731 A HA 0.626 4.946 4.320 0.002 0.000 0.287 731 A C 0.933 178.505 177.584 -0.020 0.000 1.199 731 A CA -0.286 51.736 52.037 -0.026 0.000 0.851 731 A CB -0.025 18.960 19.000 -0.026 0.000 1.118 731 A HN 0.786 nan 8.150 nan 0.000 0.525 732 G N 1.013 109.795 108.800 -0.031 0.000 2.653 732 G HA2 0.531 4.492 3.960 0.002 0.000 0.265 732 G HA3 0.531 4.492 3.960 0.002 0.000 0.265 732 G C 0.481 175.361 174.900 -0.034 0.000 1.237 732 G CA 0.045 45.126 45.100 -0.031 0.000 0.946 732 G HN 1.448 nan 8.290 nan 0.000 0.522 733 A N -1.410 121.391 122.820 -0.033 0.000 2.440 733 A HA 0.547 4.868 4.320 0.002 0.000 0.251 733 A C 1.501 179.060 177.584 -0.041 0.000 1.089 733 A CA 0.916 52.935 52.037 -0.029 0.000 0.779 733 A CB -0.205 18.781 19.000 -0.023 0.000 1.022 733 A HN 2.547 nan 8.150 nan 0.000 0.492 734 G N 1.190 109.976 108.800 -0.024 0.000 2.179 734 G HA2 -0.262 3.699 3.960 0.002 0.000 0.257 734 G HA3 -0.262 3.699 3.960 0.002 0.000 0.257 734 G C 0.937 175.848 174.900 0.018 0.000 1.010 734 G CA 1.302 46.396 45.100 -0.010 0.000 0.736 734 G HN 2.037 nan 8.290 nan 0.000 0.513 735 S N -1.046 114.654 115.700 -0.000 0.000 2.524 735 S HA 0.445 4.916 4.470 0.002 0.000 0.216 735 S C 1.828 176.465 174.600 0.060 0.000 0.987 735 S CA 1.054 59.270 58.200 0.027 0.000 0.909 735 S CB 0.477 63.648 63.200 -0.048 0.000 0.781 735 S HN 2.307 nan 8.310 nan 0.000 0.521 736 G N 2.613 111.407 108.800 -0.010 0.000 2.288 736 G HA2 -0.237 3.724 3.960 0.002 0.000 0.205 736 G HA3 -0.237 3.724 3.960 0.002 0.000 0.205 736 G C 0.441 175.265 174.900 -0.126 0.000 1.071 736 G CA 0.182 45.219 45.100 -0.105 0.000 0.788 736 G HN 0.705 nan 8.290 nan 0.000 0.491 737 K N -1.170 119.181 120.400 -0.081 0.000 2.097 737 K HA -0.045 4.276 4.320 0.002 0.000 0.205 737 K C 2.052 178.599 176.600 -0.087 0.000 1.050 737 K CA 1.802 58.044 56.287 -0.075 0.000 0.938 737 K CB -0.550 31.928 32.500 -0.036 0.000 0.718 737 K HN 0.282 nan 8.250 nan 0.000 0.442 738 T N 0.066 114.573 114.554 -0.077 0.000 3.077 738 T HA -0.054 4.297 4.350 0.002 0.000 0.269 738 T C 1.685 176.312 174.700 -0.122 0.000 1.146 738 T CA 1.116 63.171 62.100 -0.074 0.000 1.091 738 T CB -0.092 68.748 68.868 -0.047 0.000 0.892 738 T HN 0.297 nan 8.240 nan 0.000 0.533 739 R N 0.531 120.912 120.500 -0.199 0.000 2.055 739 R HA 0.138 4.479 4.340 0.002 0.000 0.221 739 R C 2.369 178.437 176.300 -0.387 0.000 1.154 739 R CA 0.577 56.458 56.100 -0.364 0.000 0.975 739 R CB -0.630 29.366 30.300 -0.508 0.000 0.869 739 R HN 0.174 nan 8.270 nan 0.000 0.437 740 V N 1.431 121.168 119.914 -0.294 0.000 2.231 740 V HA -0.312 3.809 4.120 0.002 0.000 0.250 740 V C 2.220 178.242 176.094 -0.120 0.000 1.058 740 V CA 1.948 64.126 62.300 -0.202 0.000 1.022 740 V CB -0.605 31.137 31.823 -0.134 0.000 0.640 740 V HN 0.294 nan 8.190 nan 0.000 0.445 741 L N -0.462 120.701 121.223 -0.100 0.000 2.081 741 L HA -0.211 4.130 4.340 0.002 0.000 0.212 741 L C 2.544 179.317 176.870 -0.162 0.000 1.080 741 L CA 2.536 57.309 54.840 -0.111 0.000 0.754 741 L CB -1.004 40.999 42.059 -0.092 0.000 0.893 741 L HN 0.394 nan 8.230 nan 0.000 0.433 742 T N -2.184 112.315 114.554 -0.093 0.000 2.698 742 T HA -0.140 4.211 4.350 0.002 0.000 0.260 742 T C 1.756 176.506 174.700 0.083 0.000 1.044 742 T CA 1.245 63.336 62.100 -0.016 0.000 1.149 742 T CB -0.198 68.699 68.868 0.049 0.000 0.864 742 T HN 0.519 nan 8.240 nan 0.000 0.419 743 H N 0.221 119.240 119.070 -0.085 0.000 2.387 743 H HA -0.003 4.554 4.556 0.002 0.000 0.299 743 H C 2.617 177.937 175.328 -0.013 0.000 1.090 743 H CA 0.947 56.963 56.048 -0.054 0.000 1.332 743 H CB 0.090 29.796 29.762 -0.094 0.000 1.386 743 H HN 0.144 nan 8.280 nan 0.000 0.516 744 R N 0.936 121.498 120.500 0.103 0.000 2.193 744 R HA -0.090 4.251 4.340 0.002 0.000 0.229 744 R C 2.025 178.393 176.300 0.113 0.000 1.110 744 R CA 0.739 56.917 56.100 0.130 0.000 0.988 744 R CB 0.015 30.404 30.300 0.148 0.000 0.871 744 R HN 0.328 nan 8.270 nan 0.000 0.458 745 I N -0.268 120.300 120.570 -0.003 0.000 2.333 745 I HA -0.098 4.073 4.170 0.002 0.000 0.246 745 I C 1.953 178.046 176.117 -0.040 0.000 1.106 745 I CA 0.876 62.141 61.300 -0.059 0.000 1.411 745 I CB -0.117 37.802 38.000 -0.136 0.000 1.082 745 I HN 0.169 nan 8.210 nan 0.000 0.420 746 A N -1.079 121.735 122.820 -0.011 0.000 2.238 746 A HA -0.126 4.195 4.320 0.002 0.000 0.208 746 A C 1.778 179.362 177.584 0.001 0.000 1.177 746 A CA 0.636 52.654 52.037 -0.033 0.000 0.804 746 A CB -0.467 18.498 19.000 -0.059 0.000 0.823 746 A HN 0.559 nan 8.150 nan 0.000 0.482 747 Y N -1.541 118.691 120.300 -0.112 0.000 2.589 747 Y HA 0.334 4.885 4.550 0.002 0.000 0.271 747 Y C 1.435 177.236 175.900 -0.165 0.000 1.107 747 Y CA 0.228 58.256 58.100 -0.119 0.000 1.273 747 Y CB 0.160 38.580 38.460 -0.067 0.000 1.266 747 Y HN 0.130 nan 8.280 nan 0.000 0.504 748 L N -0.068 121.069 121.223 -0.145 0.000 2.362 748 L HA -0.140 4.201 4.340 0.002 0.000 0.219 748 L C 1.980 178.639 176.870 -0.352 0.000 1.134 748 L CA 1.183 55.833 54.840 -0.316 0.000 0.807 748 L CB -0.084 41.785 42.059 -0.317 0.000 0.927 748 L HN 0.364 nan 8.230 nan 0.000 0.447 749 M N -2.535 116.898 119.600 -0.278 0.000 2.691 749 M HA 0.042 4.522 4.480 0.002 0.000 0.261 749 M C 2.201 178.302 176.300 -0.332 0.000 1.227 749 M CA 1.043 56.187 55.300 -0.260 0.000 1.197 749 M CB 0.121 32.614 32.600 -0.179 0.000 1.294 749 M HN 0.234 nan 8.290 nan 0.000 0.508 750 A N -0.423 122.199 122.820 -0.331 0.000 1.935 750 A HA -0.089 4.232 4.320 0.002 0.000 0.214 750 A C 1.822 179.072 177.584 -0.556 0.000 1.178 750 A CA 1.593 53.407 52.037 -0.373 0.000 0.640 750 A CB -0.232 18.640 19.000 -0.214 0.000 0.825 750 A HN 0.374 nan 8.150 nan 0.000 0.447 751 E N -0.462 119.367 120.200 -0.618 0.000 2.065 751 E HA 0.062 4.413 4.350 0.002 0.000 0.191 751 E C 1.788 178.041 176.600 -0.579 0.000 0.960 751 E CA 0.972 56.966 56.400 -0.676 0.000 0.824 751 E CB -0.039 28.963 29.700 -1.164 0.000 0.793 751 E HN 0.210 nan 8.360 nan 0.000 0.459 752 K N -0.486 119.580 120.400 -0.556 0.000 2.296 752 K HA 0.069 4.390 4.320 0.002 0.000 0.200 752 K C -0.281 176.198 176.600 -0.201 0.000 1.048 752 K CA 0.754 56.835 56.287 -0.344 0.000 0.966 752 K CB -0.211 32.074 32.500 -0.358 0.000 0.754 752 K HN 0.335 nan 8.250 nan 0.000 0.466 753 H N -2.024 116.894 119.070 -0.253 0.000 2.880 753 H HA -0.116 4.441 4.556 0.002 0.000 0.304 753 H C -0.875 174.314 175.328 -0.232 0.000 1.259 753 H CA 0.123 56.045 56.048 -0.210 0.000 1.153 753 H CB -1.741 27.928 29.762 -0.154 0.000 1.395 753 H HN 0.006 nan 8.280 nan 0.000 0.420 754 V N -1.769 118.024 119.914 -0.201 0.000 2.481 754 V HA 0.809 4.930 4.120 0.002 0.000 0.286 754 V C 0.953 176.831 176.094 -0.361 0.000 1.042 754 V CA -0.498 61.644 62.300 -0.263 0.000 0.928 754 V CB 1.819 33.452 31.823 -0.316 0.000 0.986 754 V HN 0.446 nan 8.190 nan 0.000 0.462 755 A N 6.195 128.689 122.820 -0.542 0.000 2.546 755 A HA 0.385 4.706 4.320 0.002 0.000 0.243 755 A C -0.451 176.613 177.584 -0.865 0.000 1.063 755 A CA -0.565 50.860 52.037 -1.021 0.000 0.757 755 A CB -0.259 17.562 19.000 -1.965 0.000 0.991 755 A HN 0.880 nan 8.150 nan 0.000 0.503 756 P HA -0.193 nan 4.420 nan 0.000 0.218 756 P C 0.789 178.052 177.300 -0.062 0.000 1.146 756 P CA 1.953 64.924 63.100 -0.214 0.000 0.820 756 P CB -0.222 31.451 31.700 -0.045 0.000 0.778 757 W N -0.581 120.763 121.300 0.072 0.000 3.377 757 W HA 0.295 4.956 4.660 0.002 0.000 0.277 757 W C 0.670 177.183 176.519 -0.010 0.000 1.311 757 W CA -0.327 57.067 57.345 0.082 0.000 1.703 757 W CB -1.627 27.874 29.460 0.068 0.000 1.095 757 W HN -0.184 nan 8.180 nan 0.000 0.715 758 N N 0.818 119.405 118.700 -0.188 0.000 2.184 758 N HA 0.206 4.947 4.740 0.002 0.000 0.206 758 N C -0.470 175.061 175.510 0.035 0.000 1.151 758 N CA 0.049 53.026 53.050 -0.123 0.000 0.878 758 N CB 0.664 38.994 38.487 -0.261 0.000 1.014 758 N HN 0.197 nan 8.380 nan 0.000 0.512 759 I N 0.787 121.408 120.570 0.085 0.000 2.648 759 I HA 0.380 4.551 4.170 0.002 0.000 0.304 759 I C -0.854 175.381 176.117 0.196 0.000 1.009 759 I CA -0.988 60.403 61.300 0.152 0.000 1.114 759 I CB 2.211 40.268 38.000 0.094 0.000 1.293 759 I HN -0.229 nan 8.210 nan 0.000 0.449 760 L N 5.023 126.320 121.223 0.123 0.000 2.445 760 L HA 0.886 5.227 4.340 0.002 0.000 0.262 760 L C -1.403 175.486 176.870 0.033 0.000 0.974 760 L CA -0.406 54.412 54.840 -0.037 0.000 0.822 760 L CB 1.968 43.644 42.059 -0.639 0.000 1.339 760 L HN 0.661 nan 8.230 nan 0.000 0.409 761 A N 5.721 128.541 122.820 -0.000 0.000 2.446 761 A HA 0.758 5.079 4.320 0.002 0.000 0.282 761 A C -1.202 176.321 177.584 -0.102 0.000 1.102 761 A CA -0.264 51.758 52.037 -0.025 0.000 0.737 761 A CB 0.485 19.447 19.000 -0.063 0.000 1.212 761 A HN 0.628 nan 8.150 nan 0.000 0.434 762 I N 1.395 121.850 120.570 -0.191 0.000 2.498 762 I HA 0.670 4.840 4.170 0.002 0.000 0.301 762 I C 0.683 176.646 176.117 -0.256 0.000 0.984 762 I CA -0.183 60.896 61.300 -0.369 0.000 1.204 762 I CB 2.263 39.778 38.000 -0.808 0.000 1.362 762 I HN 0.640 nan 8.210 nan 0.000 0.471 763 T N 2.624 117.029 114.554 -0.247 0.000 2.696 763 T HA 0.493 4.844 4.350 0.002 0.000 0.291 763 T C 0.028 174.639 174.700 -0.147 0.000 1.095 763 T CA -0.193 61.867 62.100 -0.066 0.000 1.026 763 T CB 0.928 69.812 68.868 0.025 0.000 1.390 763 T HN 0.326 nan 8.240 nan 0.000 0.513 764 F N 0.954 120.980 119.950 0.126 0.000 2.453 764 F HA 0.251 4.779 4.527 0.001 0.000 0.284 764 F C 1.648 177.498 175.800 0.083 0.000 1.065 764 F CA 0.219 58.301 58.000 0.138 0.000 1.411 764 F CB 0.148 39.200 39.000 0.088 0.000 1.131 764 F HN 0.569 nan 8.300 nan 0.000 0.582 765 T N -2.125 112.558 114.554 0.215 0.000 2.875 765 T HA 0.262 4.613 4.350 0.002 0.000 0.284 765 T C 0.539 175.274 174.700 0.059 0.000 0.995 765 T CA -0.592 61.575 62.100 0.112 0.000 1.060 765 T CB 1.370 70.294 68.868 0.093 0.000 0.967 765 T HN 0.079 nan 8.240 nan 0.000 0.476 766 N N 1.396 120.112 118.700 0.027 0.000 2.104 766 N HA -0.111 4.630 4.740 0.002 0.000 0.190 766 N C 1.072 176.588 175.510 0.009 0.000 1.024 766 N CA 0.999 54.054 53.050 0.008 0.000 0.853 766 N CB -0.271 38.209 38.487 -0.012 0.000 1.008 766 N HN 0.730 nan 8.380 nan 0.000 0.424 767 K N -0.009 120.398 120.400 0.012 0.000 2.743 767 K HA 0.264 4.585 4.320 0.002 0.000 0.219 767 K C 0.458 177.070 176.600 0.018 0.000 1.003 767 K CA 0.390 56.683 56.287 0.011 0.000 1.156 767 K CB 0.384 32.889 32.500 0.009 0.000 0.932 767 K HN 0.162 nan 8.250 nan 0.000 0.490 768 A N 0.044 122.878 122.820 0.023 0.000 2.189 768 A HA 0.387 4.708 4.320 0.002 0.000 0.177 768 A C 1.863 179.456 177.584 0.014 0.000 1.745 768 A CA 0.237 52.290 52.037 0.026 0.000 1.284 768 A CB 0.010 19.041 19.000 0.051 0.000 1.508 768 A HN 0.252 nan 8.150 nan 0.000 0.440 769 A N 0.478 123.304 122.820 0.010 0.000 2.016 769 A HA 0.039 4.360 4.320 0.002 0.000 0.217 769 A C 2.075 179.655 177.584 -0.008 0.000 1.162 769 A CA 1.531 53.565 52.037 -0.006 0.000 0.662 769 A CB -0.377 18.616 19.000 -0.012 0.000 0.812 769 A HN 0.479 nan 8.150 nan 0.000 0.450 770 R N 0.070 120.569 120.500 -0.002 0.000 2.052 770 R HA -0.069 4.272 4.340 0.002 0.000 0.226 770 R C 1.872 178.172 176.300 -0.000 0.000 1.145 770 R CA 1.439 57.538 56.100 -0.000 0.000 0.952 770 R CB -0.354 29.949 30.300 0.004 0.000 0.847 770 R HN 0.570 nan 8.270 nan 0.000 0.431 771 E N 0.408 120.608 120.200 0.001 0.000 2.110 771 E HA -0.235 4.116 4.350 0.002 0.000 0.193 771 E C 1.876 178.474 176.600 -0.003 0.000 0.988 771 E CA 1.329 57.729 56.400 -0.000 0.000 0.804 771 E CB -0.133 29.567 29.700 0.000 0.000 0.745 771 E HN 0.390 nan 8.360 nan 0.000 0.458 772 M N 0.413 120.009 119.600 -0.006 0.000 2.659 772 M HA -0.050 4.431 4.480 0.002 0.000 0.243 772 M C 1.880 178.171 176.300 -0.015 0.000 1.111 772 M CA 0.471 55.763 55.300 -0.014 0.000 1.070 772 M CB 0.231 32.818 32.600 -0.022 0.000 1.525 772 M HN -0.103 nan 8.290 nan 0.000 0.517 773 R N 0.156 120.651 120.500 -0.009 0.000 2.087 773 R HA 0.037 4.378 4.340 0.002 0.000 0.213 773 R C 1.558 177.856 176.300 -0.003 0.000 1.137 773 R CA 1.162 57.258 56.100 -0.007 0.000 1.022 773 R CB -0.259 30.037 30.300 -0.007 0.000 0.920 773 R HN 0.446 nan 8.270 nan 0.000 0.451 774 E N 0.173 120.373 120.200 -0.001 0.000 2.085 774 E HA -0.168 4.183 4.350 0.002 0.000 0.194 774 E C 2.181 178.782 176.600 0.002 0.000 0.994 774 E CA 1.161 57.561 56.400 0.001 0.000 0.801 774 E CB -0.010 29.691 29.700 0.001 0.000 0.743 774 E HN 0.188 nan 8.360 nan 0.000 0.453 775 R N 0.434 120.937 120.500 0.005 0.000 2.088 775 R HA -0.123 4.218 4.340 0.002 0.000 0.232 775 R C 2.484 178.793 176.300 0.014 0.000 1.136 775 R CA 1.412 57.522 56.100 0.016 0.000 0.926 775 R CB -0.910 29.401 30.300 0.019 0.000 0.837 775 R HN 0.104 nan 8.270 nan 0.000 0.429 776 V N 1.322 121.239 119.914 0.005 0.000 2.546 776 V HA -0.263 3.858 4.120 0.002 0.000 0.254 776 V C 2.235 178.324 176.094 -0.009 0.000 1.076 776 V CA 1.756 64.053 62.300 -0.005 0.000 1.087 776 V CB -0.520 31.293 31.823 -0.016 0.000 0.674 776 V HN 0.395 nan 8.190 nan 0.000 0.470 777 Q N -1.353 118.444 119.800 -0.005 0.000 2.451 777 Q HA 0.027 4.368 4.340 0.002 0.000 0.206 777 Q C 1.999 177.993 176.000 -0.009 0.000 0.947 777 Q CA 0.752 56.552 55.803 -0.006 0.000 0.937 777 Q CB 0.189 28.925 28.738 -0.002 0.000 1.025 777 Q HN 0.509 nan 8.270 nan 0.000 0.511 778 S N -0.893 114.803 115.700 -0.008 0.000 2.554 778 S HA 0.174 4.645 4.470 0.002 0.000 0.226 778 S C 0.765 175.351 174.600 -0.023 0.000 0.980 778 S CA -0.109 58.084 58.200 -0.012 0.000 0.939 778 S CB 0.313 63.511 63.200 -0.003 0.000 0.832 778 S HN 0.232 nan 8.310 nan 0.000 0.486 779 L N 0.400 121.605 121.223 -0.031 0.000 2.453 779 L HA 0.456 4.797 4.340 0.002 0.000 0.190 779 L C 1.433 178.268 176.870 -0.058 0.000 1.093 779 L CA 1.240 56.043 54.840 -0.061 0.000 0.834 779 L CB -0.427 41.583 42.059 -0.082 0.000 1.090 779 L HN 0.250 nan 8.230 nan 0.000 0.489 780 L N -2.494 118.702 121.223 -0.045 0.000 2.415 780 L HA 0.567 4.908 4.340 0.002 0.000 0.194 780 L C 1.216 178.070 176.870 -0.026 0.000 1.256 780 L CA 0.485 55.301 54.840 -0.040 0.000 1.974 780 L CB -0.966 41.070 42.059 -0.038 0.000 1.753 780 L HN 0.268 nan 8.230 nan 0.000 0.948 781 G N -1.513 107.277 108.800 -0.016 0.000 2.825 781 G HA2 0.209 4.169 3.960 0.002 0.000 0.100 781 G HA3 0.209 4.169 3.960 0.002 0.000 0.100 781 G C 0.074 174.975 174.900 0.001 0.000 1.195 781 G CA 0.115 45.210 45.100 -0.008 0.000 1.317 781 G HN 0.417 nan 8.290 nan 0.000 0.632 782 G N 0.553 109.358 108.800 0.008 0.000 3.523 782 G HA2 0.514 4.475 3.960 0.002 0.000 0.270 782 G HA3 0.514 4.475 3.960 0.002 0.000 0.270 782 G C 0.926 175.846 174.900 0.033 0.000 1.134 782 G CA 1.545 46.657 45.100 0.019 0.000 0.825 782 G HN 1.184 nan 8.290 nan 0.000 0.534 783 A N -0.210 122.624 122.820 0.024 0.000 2.169 783 A HA 0.644 4.965 4.320 0.002 0.000 0.210 783 A C 2.106 179.705 177.584 0.026 0.000 1.168 783 A CA 1.102 53.156 52.037 0.029 0.000 0.813 783 A CB 0.245 19.249 19.000 0.007 0.000 0.861 783 A HN 0.523 nan 8.150 nan 0.000 0.481 784 A N 0.411 123.242 122.820 0.019 0.000 2.348 784 A HA 0.232 4.553 4.320 0.002 0.000 0.224 784 A C 1.126 178.738 177.584 0.047 0.000 1.227 784 A CA 0.622 52.671 52.037 0.019 0.000 0.885 784 A CB -0.392 18.607 19.000 -0.002 0.000 0.933 784 A HN 0.600 nan 8.150 nan 0.000 0.506 785 E N -0.616 119.618 120.200 0.057 0.000 2.311 785 E HA 0.122 4.473 4.350 0.002 0.000 0.198 785 E C -0.126 176.538 176.600 0.107 0.000 1.115 785 E CA 0.181 56.618 56.400 0.062 0.000 1.140 785 E CB -0.046 29.677 29.700 0.039 0.000 1.204 785 E HN 0.185 nan 8.360 nan 0.000 0.446 786 D N -0.404 120.093 120.400 0.162 0.000 2.525 786 D HA 0.105 4.746 4.640 0.002 0.000 0.231 786 D C -0.547 175.963 176.300 0.350 0.000 1.216 786 D CA -0.061 54.099 54.000 0.268 0.000 0.813 786 D CB 1.137 42.146 40.800 0.348 0.000 1.108 786 D HN 0.056 nan 8.370 nan 0.000 0.524 787 V N 1.465 121.528 119.914 0.249 0.000 2.546 787 V HA 0.171 4.292 4.120 0.002 0.000 0.284 787 V C -0.249 176.064 176.094 0.366 0.000 1.050 787 V CA -0.523 61.943 62.300 0.276 0.000 0.981 787 V CB 1.022 32.922 31.823 0.129 0.000 0.990 787 V HN 0.124 nan 8.190 nan 0.000 0.474 788 W N 5.917 127.296 121.300 0.132 0.000 2.546 788 W HA 0.450 5.111 4.660 0.001 0.000 0.323 788 W C 0.148 176.674 176.519 0.011 0.000 1.272 788 W CA -0.512 56.898 57.345 0.108 0.000 1.404 788 W CB 0.077 29.651 29.460 0.190 0.000 1.411 788 W HN 0.327 nan 8.180 nan 0.000 0.480 789 I N 4.235 124.873 120.570 0.114 0.000 2.697 789 I HA 0.146 4.316 4.170 0.002 0.000 0.279 789 I C 0.195 176.300 176.117 -0.020 0.000 1.171 789 I CA -0.163 61.154 61.300 0.029 0.000 1.135 789 I CB 0.371 38.374 38.000 0.006 0.000 1.445 789 I HN 0.118 nan 8.210 nan 0.000 0.541 790 S N 2.168 117.852 115.700 -0.027 0.000 2.599 790 S HA 0.618 5.089 4.470 0.002 0.000 0.287 790 S C 0.125 174.681 174.600 -0.073 0.000 1.105 790 S CA -0.454 57.712 58.200 -0.056 0.000 0.899 790 S CB 1.635 64.779 63.200 -0.093 0.000 1.100 790 S HN 0.583 nan 8.310 nan 0.000 0.482 791 T N 0.817 115.343 114.554 -0.047 0.000 2.748 791 T HA 0.285 4.636 4.350 0.002 0.000 0.304 791 T C 1.125 175.785 174.700 -0.067 0.000 1.041 791 T CA -0.075 61.994 62.100 -0.052 0.000 1.033 791 T CB -0.103 68.788 68.868 0.037 0.000 0.995 791 T HN 0.455 nan 8.240 nan 0.000 0.536 792 F N 0.796 120.600 119.950 -0.242 0.000 2.126 792 F HA -0.128 4.400 4.527 0.002 0.000 0.299 792 F C 2.786 178.416 175.800 -0.283 0.000 1.096 792 F CA 1.865 59.661 58.000 -0.341 0.000 1.255 792 F CB -0.482 38.153 39.000 -0.608 0.000 0.997 792 F HN 0.708 nan 8.300 nan 0.000 0.479 793 H N -2.349 116.793 119.070 0.119 0.000 2.436 793 H HA -0.002 4.555 4.556 0.002 0.000 0.294 793 H C 2.438 177.819 175.328 0.088 0.000 1.048 793 H CA 1.250 57.353 56.048 0.091 0.000 1.353 793 H CB -0.379 29.406 29.762 0.037 0.000 1.414 793 H HN 0.190 nan 8.280 nan 0.000 0.536 794 S N 1.197 116.992 115.700 0.158 0.000 2.357 794 S HA -0.123 4.348 4.470 0.002 0.000 0.221 794 S C 2.348 176.988 174.600 0.066 0.000 1.031 794 S CA 1.265 59.517 58.200 0.086 0.000 0.982 794 S CB -0.160 63.054 63.200 0.022 0.000 0.853 794 S HN 0.500 nan 8.310 nan 0.000 0.458 795 M N -0.075 119.571 119.600 0.077 0.000 2.296 795 M HA -0.003 4.478 4.480 0.002 0.000 0.265 795 M C 1.938 178.380 176.300 0.236 0.000 1.064 795 M CA 1.403 56.814 55.300 0.186 0.000 1.109 795 M CB -0.769 32.008 32.600 0.296 0.000 1.396 795 M HN 0.206 nan 8.290 nan 0.000 0.430 796 C N 0.022 119.415 119.300 0.155 0.000 2.468 796 C HA 0.057 4.518 4.460 0.002 0.000 0.277 796 C C 2.767 177.851 174.990 0.156 0.000 1.400 796 C CA 0.254 59.343 59.018 0.118 0.000 1.770 796 C CB -0.590 27.188 27.740 0.063 0.000 1.905 796 C HN 0.574 nan 8.230 nan 0.000 0.519 797 V N 0.511 120.544 119.914 0.198 0.000 2.446 797 V HA -0.101 4.020 4.120 0.002 0.000 0.244 797 V C 2.697 178.944 176.094 0.255 0.000 1.039 797 V CA 1.664 64.134 62.300 0.282 0.000 1.045 797 V CB -0.548 31.429 31.823 0.255 0.000 0.681 797 V HN 0.481 nan 8.190 nan 0.000 0.459 798 R N 0.008 120.615 120.500 0.179 0.000 2.083 798 R HA -0.154 4.187 4.340 0.002 0.000 0.237 798 R C 2.218 178.699 176.300 0.301 0.000 1.137 798 R CA 2.117 58.317 56.100 0.167 0.000 0.951 798 R CB -0.346 29.962 30.300 0.013 0.000 0.851 798 R HN 0.468 nan 8.270 nan 0.000 0.434 799 I N 0.631 121.409 120.570 0.346 0.000 2.226 799 I HA -0.287 3.884 4.170 0.002 0.000 0.245 799 I C 1.944 178.235 176.117 0.290 0.000 1.100 799 I CA 0.755 62.268 61.300 0.354 0.000 1.374 799 I CB -0.234 37.862 38.000 0.160 0.000 1.057 799 I HN 0.225 nan 8.210 nan 0.000 0.413 800 L N 0.524 121.887 121.223 0.234 0.000 2.056 800 L HA -0.087 4.254 4.340 0.002 0.000 0.207 800 L C 1.760 178.831 176.870 0.336 0.000 1.078 800 L CA 1.581 56.557 54.840 0.227 0.000 0.749 800 L CB -0.843 41.303 42.059 0.145 0.000 0.901 800 L HN 0.147 nan 8.230 nan 0.000 0.433 801 R N -0.235 120.476 120.500 0.352 0.000 4.779 801 R HA 0.097 4.438 4.340 0.002 0.000 0.217 801 R C 0.757 177.165 176.300 0.180 0.000 1.934 801 R CA 0.118 56.359 56.100 0.235 0.000 1.623 801 R CB -0.016 30.342 30.300 0.098 0.000 1.364 801 R HN 0.285 nan 8.270 nan 0.000 0.799 802 R N -1.403 119.218 120.500 0.202 0.000 2.470 802 R HA 0.045 4.386 4.340 0.002 0.000 0.147 802 R C 0.046 176.441 176.300 0.158 0.000 0.919 802 R CA 0.040 56.245 56.100 0.176 0.000 2.076 802 R CB 0.737 31.181 30.300 0.240 0.000 1.612 802 R HN 0.054 nan 8.270 nan 0.000 0.505 803 D N -0.331 120.179 120.400 0.184 0.000 2.497 803 D HA 0.152 4.793 4.640 0.002 0.000 0.256 803 D C 0.946 177.322 176.300 0.127 0.000 1.273 803 D CA -0.050 54.044 54.000 0.157 0.000 0.812 803 D CB 0.878 41.804 40.800 0.211 0.000 1.190 803 D HN 0.093 nan 8.370 nan 0.000 0.524 804 I N 1.582 122.230 120.570 0.129 0.000 2.454 804 I HA -0.269 3.902 4.170 0.002 0.000 0.254 804 I C 1.324 177.466 176.117 0.041 0.000 1.156 804 I CA 1.551 62.894 61.300 0.072 0.000 1.433 804 I CB 0.200 38.240 38.000 0.066 0.000 1.082 804 I HN -0.092 nan 8.210 nan 0.000 0.432 805 D N -0.033 120.398 120.400 0.050 0.000 2.354 805 D HA -0.228 4.413 4.640 0.002 0.000 0.216 805 D C 1.945 178.258 176.300 0.022 0.000 0.970 805 D CA 0.761 54.772 54.000 0.018 0.000 0.905 805 D CB -0.417 40.395 40.800 0.021 0.000 0.903 805 D HN 0.291 nan 8.370 nan 0.000 0.508 806 R N 0.337 120.861 120.500 0.040 0.000 2.235 806 R HA 0.097 4.438 4.340 0.002 0.000 0.213 806 R C 1.132 177.452 176.300 0.034 0.000 1.059 806 R CA 0.667 56.793 56.100 0.043 0.000 0.997 806 R CB -0.246 30.094 30.300 0.066 0.000 0.884 806 R HN 0.510 nan 8.270 nan 0.000 0.462 807 I N -3.460 117.123 120.570 0.021 0.000 3.158 807 I HA 0.427 4.598 4.170 0.002 0.000 0.344 807 I C 0.224 176.340 176.117 -0.001 0.000 1.459 807 I CA -0.464 60.843 61.300 0.011 0.000 0.956 807 I CB 0.775 38.778 38.000 0.006 0.000 1.793 807 I HN 0.020 nan 8.210 nan 0.000 0.522 808 G N 2.595 111.395 108.800 0.001 0.000 2.323 808 G HA2 -0.232 3.729 3.960 0.002 0.000 0.292 808 G HA3 -0.232 3.729 3.960 0.002 0.000 0.292 808 G C -0.275 174.603 174.900 -0.036 0.000 1.040 808 G CA 0.533 45.633 45.100 0.000 0.000 0.942 808 G HN 0.630 nan 8.290 nan 0.000 0.506 809 I N -0.869 119.643 120.570 -0.096 0.000 2.722 809 I HA 0.232 4.403 4.170 0.002 0.000 0.295 809 I C -0.006 175.978 176.117 -0.220 0.000 1.161 809 I CA -1.156 60.014 61.300 -0.216 0.000 1.032 809 I CB 1.798 39.731 38.000 -0.112 0.000 1.244 809 I HN -0.011 nan 8.210 nan 0.000 0.421 810 N N 3.988 122.429 118.700 -0.432 0.000 2.411 810 N HA 0.031 4.772 4.740 0.002 0.000 0.261 810 N C 0.844 176.415 175.510 0.102 0.000 1.248 810 N CA 0.451 53.388 53.050 -0.188 0.000 0.885 810 N CB 1.121 39.491 38.487 -0.195 0.000 1.062 810 N HN 0.539 nan 8.380 nan 0.000 0.471 811 R N 2.054 122.596 120.500 0.070 0.000 2.235 811 R HA -0.080 4.261 4.340 0.002 0.000 0.213 811 R C 0.460 176.718 176.300 -0.070 0.000 1.059 811 R CA 1.046 57.212 56.100 0.111 0.000 0.997 811 R CB 0.084 30.419 30.300 0.059 0.000 0.884 811 R HN 0.647 nan 8.270 nan 0.000 0.462 812 N N -0.334 118.312 118.700 -0.091 0.000 2.320 812 N HA 0.011 4.752 4.740 0.002 0.000 0.237 812 N C -0.285 175.094 175.510 -0.218 0.000 1.129 812 N CA -0.605 52.323 53.050 -0.203 0.000 0.854 812 N CB -0.178 38.250 38.487 -0.098 0.000 1.083 812 N HN 0.019 nan 8.380 nan 0.000 0.504 813 F N -0.504 119.444 119.950 -0.003 0.000 2.657 813 F HA 0.238 4.766 4.527 0.001 0.000 0.347 813 F C 0.293 176.098 175.800 0.009 0.000 1.180 813 F CA -1.198 56.809 58.000 0.012 0.000 1.383 813 F CB -0.011 38.992 39.000 0.005 0.000 1.077 813 F HN -0.142 nan 8.300 nan 0.000 0.622 814 S N 1.846 117.681 115.700 0.226 0.000 2.616 814 S HA 0.602 5.073 4.470 0.002 0.000 0.277 814 S C -0.203 174.525 174.600 0.212 0.000 1.234 814 S CA -0.708 57.562 58.200 0.116 0.000 1.028 814 S CB 1.161 64.392 63.200 0.052 0.000 0.988 814 S HN 0.538 nan 8.310 nan 0.000 0.522 815 I N 2.611 123.249 120.570 0.114 0.000 2.362 815 I HA 0.251 4.422 4.170 0.002 0.000 0.289 815 I C -0.871 175.204 176.117 -0.071 0.000 0.994 815 I CA -0.699 60.653 61.300 0.087 0.000 1.158 815 I CB 1.128 39.213 38.000 0.141 0.000 1.315 815 I HN 0.316 nan 8.210 nan 0.000 0.451 816 L N 6.238 127.348 121.223 -0.189 0.000 2.439 816 L HA 0.237 4.578 4.340 0.002 0.000 0.261 816 L C -0.112 176.434 176.870 -0.540 0.000 1.153 816 L CA 0.244 54.915 54.840 -0.282 0.000 0.808 816 L CB 0.810 42.719 42.059 -0.249 0.000 1.126 816 L HN 0.639 nan 8.230 nan 0.000 0.460 817 D N 1.107 121.248 120.400 -0.433 0.000 2.433 817 D HA 0.435 5.075 4.640 0.002 0.000 0.236 817 D C -2.164 173.933 176.300 -0.339 0.000 1.026 817 D CA -1.667 52.042 54.000 -0.484 0.000 0.884 817 D CB 1.449 41.949 40.800 -0.500 0.000 1.384 817 D HN 0.243 nan 8.370 nan 0.000 0.477 818 P HA -0.261 nan 4.420 nan 0.000 0.218 818 P C 0.913 178.156 177.300 -0.096 0.000 1.147 818 P CA 1.331 64.384 63.100 -0.078 0.000 0.827 818 P CB -0.001 31.726 31.700 0.045 0.000 0.778 819 T N -0.666 113.790 114.554 -0.164 0.000 2.851 819 T HA -0.063 4.288 4.350 0.002 0.000 0.262 819 T C 1.448 176.087 174.700 -0.101 0.000 1.043 819 T CA 1.273 63.302 62.100 -0.119 0.000 1.140 819 T CB -0.643 68.137 68.868 -0.146 0.000 0.872 819 T HN 0.113 nan 8.240 nan 0.000 0.446 820 D N 1.392 121.711 120.400 -0.136 0.000 2.117 820 D HA -0.074 4.566 4.640 0.002 0.000 0.197 820 D C 2.338 178.606 176.300 -0.055 0.000 0.987 820 D CA 1.018 54.957 54.000 -0.101 0.000 0.829 820 D CB -0.274 40.449 40.800 -0.129 0.000 0.961 820 D HN 0.418 nan 8.370 nan 0.000 0.460 821 Q N -0.156 119.611 119.800 -0.056 0.000 2.077 821 Q HA -0.172 4.169 4.340 0.002 0.000 0.206 821 Q C 2.264 178.288 176.000 0.039 0.000 0.989 821 Q CA 0.890 56.712 55.803 0.032 0.000 0.853 821 Q CB -0.203 28.537 28.738 0.003 0.000 0.907 821 Q HN 0.176 nan 8.270 nan 0.000 0.418 822 L N 0.142 121.362 121.223 -0.005 0.000 2.083 822 L HA -0.187 4.154 4.340 0.002 0.000 0.209 822 L C 2.335 179.208 176.870 0.006 0.000 1.083 822 L CA 1.758 56.595 54.840 -0.004 0.000 0.752 822 L CB -0.633 41.420 42.059 -0.009 0.000 0.899 822 L HN 0.104 nan 8.230 nan 0.000 0.433 823 S N -1.216 114.483 115.700 -0.001 0.000 2.344 823 S HA -0.181 4.290 4.470 0.002 0.000 0.217 823 S C 1.983 176.594 174.600 0.019 0.000 1.033 823 S CA 1.806 60.006 58.200 -0.000 0.000 1.017 823 S CB -0.547 62.642 63.200 -0.018 0.000 0.941 823 S HN 0.294 nan 8.310 nan 0.000 0.430 824 V N 2.170 122.104 119.914 0.034 0.000 2.324 824 V HA -0.223 3.898 4.120 0.002 0.000 0.250 824 V C 2.578 178.731 176.094 0.099 0.000 1.060 824 V CA 2.280 64.617 62.300 0.062 0.000 1.042 824 V CB -0.884 30.985 31.823 0.076 0.000 0.650 824 V HN 0.517 nan 8.190 nan 0.000 0.450 825 M N 0.358 120.018 119.600 0.101 0.000 2.080 825 M HA -0.183 4.298 4.480 0.002 0.000 0.260 825 M C 2.078 178.400 176.300 0.036 0.000 1.068 825 M CA 1.840 57.173 55.300 0.055 0.000 1.109 825 M CB -0.782 31.811 32.600 -0.012 0.000 1.342 825 M HN 0.180 nan 8.290 nan 0.000 0.405 826 K N -1.329 119.088 120.400 0.028 0.000 2.103 826 K HA -0.139 4.182 4.320 0.002 0.000 0.207 826 K C 1.824 178.440 176.600 0.026 0.000 1.048 826 K CA 1.941 58.242 56.287 0.024 0.000 0.930 826 K CB -0.343 32.167 32.500 0.017 0.000 0.716 826 K HN 0.436 nan 8.250 nan 0.000 0.444 827 T N 1.345 115.915 114.554 0.027 0.000 2.737 827 T HA -0.066 4.284 4.350 0.002 0.000 0.265 827 T C 1.822 176.538 174.700 0.028 0.000 1.038 827 T CA 1.219 63.333 62.100 0.024 0.000 1.144 827 T CB -0.170 68.710 68.868 0.020 0.000 0.866 827 T HN 0.148 nan 8.240 nan 0.000 0.434 828 I N 0.613 121.206 120.570 0.038 0.000 2.361 828 I HA -0.110 4.061 4.170 0.002 0.000 0.251 828 I C 2.160 178.293 176.117 0.026 0.000 1.133 828 I CA 0.754 62.076 61.300 0.036 0.000 1.413 828 I CB -0.380 37.656 38.000 0.060 0.000 1.073 828 I HN 0.136 nan 8.210 nan 0.000 0.424 829 L N 0.884 122.125 121.223 0.030 0.000 2.156 829 L HA -0.022 4.319 4.340 0.002 0.000 0.208 829 L C 1.522 178.413 176.870 0.036 0.000 1.095 829 L CA 1.523 56.382 54.840 0.033 0.000 0.770 829 L CB -0.369 41.715 42.059 0.042 0.000 0.914 829 L HN 0.111 nan 8.230 nan 0.000 0.439 830 K N 0.819 121.237 120.400 0.031 0.000 2.291 830 K HA 0.200 4.521 4.320 0.002 0.000 0.242 830 K C -0.440 176.174 176.600 0.023 0.000 1.098 830 K CA 0.299 56.603 56.287 0.029 0.000 1.036 830 K CB -0.290 32.225 32.500 0.025 0.000 1.655 830 K HN 0.442 nan 8.250 nan 0.000 0.432 831 E N 2.027 122.241 120.200 0.023 0.000 2.735 831 E HA -0.028 4.323 4.350 0.002 0.000 0.156 831 E C -0.792 175.817 176.600 0.015 0.000 0.740 831 E CA -0.203 56.207 56.400 0.017 0.000 1.466 831 E CB -0.597 29.111 29.700 0.014 0.000 1.603 831 E HN 0.404 nan 8.360 nan 0.000 0.406 832 K N 0.397 120.809 120.400 0.020 0.000 2.183 832 K HA 0.230 4.551 4.320 0.002 0.000 0.312 832 K C -0.511 176.110 176.600 0.034 0.000 1.317 832 K CA 0.151 56.448 56.287 0.016 0.000 0.753 832 K CB 0.249 32.751 32.500 0.003 0.000 3.418 832 K HN 0.139 nan 8.250 nan 0.000 1.162 833 N N 0.798 119.525 118.700 0.045 0.000 2.643 833 N HA 0.373 5.114 4.740 0.002 0.000 0.305 833 N C -0.757 174.826 175.510 0.121 0.000 1.283 833 N CA -0.723 52.386 53.050 0.098 0.000 0.946 833 N CB 1.371 39.937 38.487 0.132 0.000 1.149 833 N HN 0.189 nan 8.380 nan 0.000 0.600 834 I N 1.224 121.901 120.570 0.179 0.000 2.342 834 I HA 0.007 4.178 4.170 0.002 0.000 0.291 834 I C 0.605 176.796 176.117 0.123 0.000 1.010 834 I CA -0.304 61.074 61.300 0.129 0.000 1.308 834 I CB 0.649 38.716 38.000 0.112 0.000 1.400 834 I HN 0.774 nan 8.210 nan 0.000 0.488 835 D N 8.555 129.000 120.400 0.074 0.000 2.249 835 D HA 0.002 4.643 4.640 0.002 0.000 0.205 835 D C -1.355 174.954 176.300 0.015 0.000 0.962 835 D CA 0.409 54.444 54.000 0.059 0.000 0.860 835 D CB -0.801 40.026 40.800 0.045 0.000 0.955 835 D HN 0.352 nan 8.370 nan 0.000 0.505 836 P HA -0.112 nan 4.420 nan 0.000 0.206 836 P C 0.100 177.351 177.300 -0.082 0.000 1.085 836 P CA 0.454 63.534 63.100 -0.033 0.000 0.746 836 P CB -0.347 31.338 31.700 -0.024 0.000 0.586 837 K N 1.909 122.248 120.400 -0.101 0.000 2.466 837 K HA -0.030 4.291 4.320 0.002 0.000 0.278 837 K C 0.216 176.621 176.600 -0.324 0.000 1.048 837 K CA 0.316 56.505 56.287 -0.163 0.000 1.088 837 K CB 0.011 32.434 32.500 -0.127 0.000 0.884 837 K HN 0.195 nan 8.250 nan 0.000 0.478 838 K N 0.522 120.696 120.400 -0.375 0.000 6.405 838 K HA -0.229 4.092 4.320 0.002 0.000 0.193 838 K C -0.189 176.182 176.600 -0.382 0.000 1.477 838 K CA 1.702 57.599 56.287 -0.650 0.000 0.758 838 K CB -1.731 29.798 32.500 -1.618 0.000 0.576 838 K HN 0.577 nan 8.250 nan 0.000 0.536 839 F N 3.080 123.115 119.950 0.142 0.000 2.514 839 F HA 0.111 4.638 4.527 0.001 0.000 0.319 839 F C 0.909 176.760 175.800 0.085 0.000 1.282 839 F CA 0.416 58.515 58.000 0.165 0.000 1.052 839 F CB -1.129 37.922 39.000 0.085 0.000 1.479 839 F HN 0.191 nan 8.300 nan 0.000 0.659 840 E N 3.247 123.541 120.200 0.157 0.000 2.277 840 E HA 0.208 4.559 4.350 0.002 0.000 0.274 840 E C -1.709 174.940 176.600 0.081 0.000 1.022 840 E CA -2.052 54.394 56.400 0.077 0.000 0.853 840 E CB 1.494 31.210 29.700 0.026 0.000 1.086 840 E HN 0.078 nan 8.360 nan 0.000 0.397 841 P HA -0.155 nan 4.420 nan 0.000 0.211 841 P C 0.905 178.207 177.300 0.004 0.000 1.179 841 P CA 1.246 64.357 63.100 0.019 0.000 0.910 841 P CB 0.136 31.844 31.700 0.013 0.000 0.785 842 R N -1.089 119.417 120.500 0.011 0.000 2.159 842 R HA -0.095 4.246 4.340 0.002 0.000 0.237 842 R C 2.021 178.334 176.300 0.021 0.000 1.131 842 R CA 1.678 57.785 56.100 0.012 0.000 0.982 842 R CB -0.686 29.625 30.300 0.018 0.000 0.868 842 R HN 0.213 nan 8.270 nan 0.000 0.453 843 T N 0.384 114.961 114.554 0.038 0.000 2.894 843 T HA 0.053 4.404 4.350 0.002 0.000 0.258 843 T C 1.708 176.467 174.700 0.098 0.000 1.043 843 T CA 0.717 62.857 62.100 0.066 0.000 1.141 843 T CB 0.075 68.983 68.868 0.067 0.000 0.873 843 T HN 0.135 nan 8.240 nan 0.000 0.449 844 I N 1.013 121.638 120.570 0.090 0.000 2.286 844 I HA -0.115 4.056 4.170 0.002 0.000 0.248 844 I C 2.202 178.235 176.117 -0.141 0.000 1.115 844 I CA 1.067 62.375 61.300 0.014 0.000 1.392 844 I CB -0.358 37.626 38.000 -0.026 0.000 1.065 844 I HN 0.217 nan 8.210 nan 0.000 0.418 845 L N 0.461 121.599 121.223 -0.142 0.000 2.083 845 L HA -0.156 4.185 4.340 0.002 0.000 0.209 845 L C 2.680 179.463 176.870 -0.145 0.000 1.083 845 L CA 1.588 56.300 54.840 -0.213 0.000 0.752 845 L CB -1.077 40.901 42.059 -0.134 0.000 0.899 845 L HN 0.320 nan 8.230 nan 0.000 0.433 846 G N -0.805 107.969 108.800 -0.044 0.000 2.433 846 G HA2 -0.261 3.700 3.960 0.002 0.000 0.216 846 G HA3 -0.261 3.700 3.960 0.002 0.000 0.216 846 G C 1.543 176.437 174.900 -0.011 0.000 1.186 846 G CA 1.297 46.404 45.100 0.012 0.000 0.779 846 G HN 0.264 nan 8.290 nan 0.000 0.543 847 T N 1.344 115.897 114.554 -0.001 0.000 2.720 847 T HA -0.084 4.267 4.350 0.002 0.000 0.268 847 T C 2.364 176.942 174.700 -0.203 0.000 1.037 847 T CA 1.081 63.184 62.100 0.006 0.000 1.144 847 T CB -0.191 68.741 68.868 0.107 0.000 0.864 847 T HN 0.241 nan 8.240 nan 0.000 0.444 848 I N 0.888 121.209 120.570 -0.415 0.000 2.454 848 I HA -0.150 4.021 4.170 0.002 0.000 0.254 848 I C 2.665 178.496 176.117 -0.477 0.000 1.156 848 I CA 0.813 61.654 61.300 -0.764 0.000 1.433 848 I CB -0.250 37.214 38.000 -0.893 0.000 1.082 848 I HN 0.245 nan 8.210 nan 0.000 0.432 849 S N 0.592 116.149 115.700 -0.239 0.000 2.362 849 S HA -0.059 4.412 4.470 0.002 0.000 0.221 849 S C 2.298 176.863 174.600 -0.057 0.000 1.032 849 S CA 1.030 59.167 58.200 -0.105 0.000 0.973 849 S CB -0.165 63.014 63.200 -0.034 0.000 0.849 849 S HN 0.419 nan 8.310 nan 0.000 0.465 850 A N 1.439 124.243 122.820 -0.027 0.000 1.986 850 A HA 0.083 4.404 4.320 0.002 0.000 0.220 850 A C 2.396 180.007 177.584 0.045 0.000 1.171 850 A CA 2.041 54.095 52.037 0.028 0.000 0.640 850 A CB -1.288 17.758 19.000 0.076 0.000 0.811 850 A HN 0.784 nan 8.150 nan 0.000 0.451 851 A N -0.497 122.329 122.820 0.011 0.000 1.897 851 A HA -0.083 4.238 4.320 0.002 0.000 0.215 851 A C 2.120 179.759 177.584 0.091 0.000 1.181 851 A CA 1.618 53.715 52.037 0.099 0.000 0.620 851 A CB -0.352 18.660 19.000 0.020 0.000 0.821 851 A HN 0.518 nan 8.150 nan 0.000 0.443 852 K N -0.107 120.305 120.400 0.019 0.000 2.097 852 K HA -0.090 4.231 4.320 0.002 0.000 0.205 852 K C 1.490 178.117 176.600 0.045 0.000 1.050 852 K CA 1.525 57.850 56.287 0.062 0.000 0.938 852 K CB -0.288 32.239 32.500 0.046 0.000 0.718 852 K HN 0.576 nan 8.250 nan 0.000 0.442 853 N N 0.666 119.380 118.700 0.024 0.000 2.573 853 N HA -0.101 4.640 4.740 0.002 0.000 0.187 853 N C 0.823 176.346 175.510 0.021 0.000 1.107 853 N CA 0.343 53.397 53.050 0.007 0.000 0.918 853 N CB 0.234 38.714 38.487 -0.012 0.000 0.966 853 N HN 0.136 nan 8.380 nan 0.000 0.448 854 E N 0.552 120.782 120.200 0.050 0.000 2.501 854 E HA 0.148 4.499 4.350 0.002 0.000 0.201 854 E C -0.059 176.586 176.600 0.075 0.000 1.016 854 E CA -0.146 56.293 56.400 0.066 0.000 0.920 854 E CB 0.506 30.257 29.700 0.085 0.000 1.023 854 E HN 0.272 nan 8.360 nan 0.000 0.474 855 L N 0.704 121.967 121.223 0.068 0.000 3.597 855 L HA -0.219 4.122 4.340 0.002 0.000 0.440 855 L C -0.279 176.648 176.870 0.095 0.000 1.277 855 L CA 0.338 55.218 54.840 0.067 0.000 0.852 855 L CB -1.703 40.385 42.059 0.047 0.000 1.708 855 L HN 0.182 nan 8.230 nan 0.000 0.885 856 L N 2.475 123.783 121.223 0.141 0.000 2.313 856 L HA 0.447 4.788 4.340 0.002 0.000 0.273 856 L C -1.427 175.581 176.870 0.231 0.000 1.028 856 L CA -1.623 53.332 54.840 0.193 0.000 0.871 856 L CB 1.261 43.483 42.059 0.271 0.000 1.242 856 L HN -0.067 nan 8.230 nan 0.000 0.434 857 P HA 0.060 nan 4.420 nan 0.000 0.271 857 P C -2.232 175.027 177.300 -0.068 0.000 1.238 857 P CA -1.038 62.083 63.100 0.034 0.000 0.794 857 P CB 0.009 31.705 31.700 -0.006 0.000 0.959 858 P HA -0.152 nan 4.420 nan 0.000 0.219 858 P C 1.214 178.426 177.300 -0.147 0.000 1.146 858 P CA 1.618 64.296 63.100 -0.702 0.000 0.808 858 P CB -0.025 31.153 31.700 -0.869 0.000 0.779 859 E N -0.092 120.064 120.200 -0.073 0.000 2.028 859 E HA -0.157 4.194 4.350 0.002 0.000 0.190 859 E C 2.216 178.846 176.600 0.051 0.000 0.984 859 E CA 1.046 57.444 56.400 -0.004 0.000 0.800 859 E CB -0.826 28.864 29.700 -0.018 0.000 0.758 859 E HN 0.384 nan 8.360 nan 0.000 0.448 860 Q N -0.025 119.814 119.800 0.065 0.000 2.170 860 Q HA -0.151 4.190 4.340 0.002 0.000 0.203 860 Q C 2.019 178.076 176.000 0.097 0.000 0.976 860 Q CA 1.157 57.001 55.803 0.068 0.000 0.858 860 Q CB -0.293 28.488 28.738 0.072 0.000 0.907 860 Q HN 0.269 nan 8.270 nan 0.000 0.433 861 F N 1.676 121.651 119.950 0.040 0.000 2.234 861 F HA -0.102 4.425 4.527 0.001 0.000 0.299 861 F C 2.130 177.958 175.800 0.048 0.000 1.087 861 F CA 1.008 59.059 58.000 0.085 0.000 1.340 861 F CB -0.237 38.888 39.000 0.208 0.000 1.031 861 F HN 0.017 nan 8.300 nan 0.000 0.500 862 A N 0.688 123.631 122.820 0.204 0.000 1.858 862 A HA -0.200 4.121 4.320 0.002 0.000 0.216 862 A C 2.249 179.820 177.584 -0.022 0.000 1.190 862 A CA 1.903 53.999 52.037 0.097 0.000 0.617 862 A CB -0.781 18.267 19.000 0.080 0.000 0.827 862 A HN 0.426 nan 8.150 nan 0.000 0.443 863 K N -0.313 120.079 120.400 -0.013 0.000 2.089 863 K HA -0.146 4.175 4.320 0.002 0.000 0.210 863 K C 0.453 177.015 176.600 -0.064 0.000 1.048 863 K CA 1.218 57.488 56.287 -0.028 0.000 0.926 863 K CB -0.176 32.317 32.500 -0.012 0.000 0.714 863 K HN 0.368 nan 8.250 nan 0.000 0.448 864 R N 0.148 120.579 120.500 -0.114 0.000 2.298 864 R HA 0.376 4.717 4.340 0.002 0.000 0.310 864 R C -0.867 175.290 176.300 -0.240 0.000 1.068 864 R CA 0.020 56.026 56.100 -0.156 0.000 0.957 864 R CB 1.483 31.668 30.300 -0.192 0.000 1.003 864 R HN 0.169 nan 8.270 nan 0.000 0.454 865 A N 1.837 124.563 122.820 -0.158 0.000 1.715 865 A HA 0.215 4.536 4.320 0.002 0.000 0.273 865 A C -0.243 177.310 177.584 -0.051 0.000 1.136 865 A CA -0.585 51.366 52.037 -0.143 0.000 0.907 865 A CB -0.388 18.535 19.000 -0.127 0.000 1.152 865 A HN 0.725 nan 8.150 nan 0.000 0.375 866 S N 1.248 116.933 115.700 -0.025 0.000 3.339 866 S HA 0.868 5.339 4.470 0.002 0.000 0.221 866 S C 0.976 175.614 174.600 0.063 0.000 1.059 866 S CA 0.779 58.991 58.200 0.020 0.000 1.365 866 S CB -0.259 62.952 63.200 0.019 0.000 1.065 866 S HN 2.277 nan 8.310 nan 0.000 0.618 867 T N 0.614 115.224 114.554 0.093 0.000 0.547 867 T HA -0.302 4.049 4.350 0.002 0.000 0.773 867 T C 0.038 174.878 174.700 0.233 0.000 0.992 867 T CA 1.581 63.777 62.100 0.160 0.000 4.072 867 T CB -1.505 67.473 68.868 0.182 0.000 2.301 867 T HN 1.360 nan 8.240 nan 0.000 0.398 868 Y N -1.069 119.316 120.300 0.143 0.000 2.524 868 Y HA 0.303 4.854 4.550 0.001 0.000 0.276 868 Y C 1.886 177.873 175.900 0.145 0.000 1.155 868 Y CA 0.396 58.569 58.100 0.122 0.000 1.165 868 Y CB -0.386 38.160 38.460 0.143 0.000 1.306 868 Y HN 0.686 nan 8.280 nan 0.000 0.522 869 Y N 1.558 121.827 120.300 -0.052 0.000 2.314 869 Y HA 0.034 4.585 4.550 0.001 0.000 0.293 869 Y C 1.929 177.782 175.900 -0.078 0.000 1.129 869 Y CA 2.098 60.154 58.100 -0.074 0.000 1.201 869 Y CB -0.125 38.466 38.460 0.218 0.000 0.999 869 Y HN 0.192 nan 8.280 nan 0.000 0.541 870 E N 0.475 120.672 120.200 -0.005 0.000 2.077 870 E HA -0.219 4.132 4.350 0.002 0.000 0.193 870 E C 1.918 178.459 176.600 -0.098 0.000 0.989 870 E CA 1.558 57.918 56.400 -0.067 0.000 0.800 870 E CB -0.101 29.599 29.700 -0.001 0.000 0.746 870 E HN 0.495 nan 8.360 nan 0.000 0.452 871 K N 0.224 120.557 120.400 -0.113 0.000 2.288 871 K HA -0.035 4.286 4.320 0.002 0.000 0.201 871 K C 1.879 178.368 176.600 -0.186 0.000 1.048 871 K CA 0.411 56.644 56.287 -0.090 0.000 0.956 871 K CB 0.318 32.797 32.500 -0.035 0.000 0.746 871 K HN -0.049 nan 8.250 nan 0.000 0.461 872 V N 0.193 119.866 119.914 -0.402 0.000 2.951 872 V HA -0.102 4.019 4.120 0.002 0.000 0.255 872 V C 1.769 177.598 176.094 -0.441 0.000 1.088 872 V CA 1.021 62.990 62.300 -0.551 0.000 1.109 872 V CB 0.247 31.398 31.823 -1.121 0.000 0.724 872 V HN 0.040 nan 8.190 nan 0.000 0.471 873 V N 0.383 120.050 119.914 -0.411 0.000 2.825 873 V HA -0.079 4.042 4.120 0.002 0.000 0.246 873 V C 2.577 178.622 176.094 -0.081 0.000 1.068 873 V CA 1.567 63.678 62.300 -0.316 0.000 1.088 873 V CB 0.116 31.663 31.823 -0.459 0.000 0.733 873 V HN 0.710 nan 8.190 nan 0.000 0.468 874 S N -0.559 115.212 115.700 0.118 0.000 2.447 874 S HA -0.202 4.269 4.470 0.002 0.000 0.233 874 S C 1.669 176.319 174.600 0.083 0.000 1.006 874 S CA 1.420 59.785 58.200 0.275 0.000 0.957 874 S CB -0.307 63.137 63.200 0.406 0.000 0.773 874 S HN 0.568 nan 8.310 nan 0.000 0.507 875 D N 0.603 120.999 120.400 -0.006 0.000 2.289 875 D HA 0.109 4.750 4.640 0.002 0.000 0.207 875 D C 1.637 177.921 176.300 -0.027 0.000 0.966 875 D CA 0.443 54.424 54.000 -0.031 0.000 0.868 875 D CB 0.380 41.138 40.800 -0.070 0.000 0.943 875 D HN 0.347 nan 8.370 nan 0.000 0.514 876 V N 0.606 120.496 119.914 -0.039 0.000 3.174 876 V HA -0.123 3.998 4.120 0.002 0.000 0.254 876 V C 1.897 178.031 176.094 0.066 0.000 1.120 876 V CA 0.521 62.808 62.300 -0.020 0.000 1.114 876 V CB -0.190 31.580 31.823 -0.089 0.000 0.756 876 V HN 0.195 nan 8.190 nan 0.000 0.467 877 Y N 1.584 121.804 120.300 -0.133 0.000 2.314 877 Y HA -0.097 4.454 4.550 0.001 0.000 0.294 877 Y C 2.427 178.319 175.900 -0.013 0.000 1.119 877 Y CA 1.845 59.864 58.100 -0.136 0.000 1.179 877 Y CB -0.398 37.851 38.460 -0.352 0.000 1.025 877 Y HN 0.410 nan 8.280 nan 0.000 0.541 878 Q N 0.690 120.477 119.800 -0.022 0.000 2.119 878 Q HA -0.149 4.192 4.340 0.002 0.000 0.201 878 Q C 1.788 177.773 176.000 -0.026 0.000 0.972 878 Q CA 2.134 57.873 55.803 -0.106 0.000 0.847 878 Q CB -0.178 28.511 28.738 -0.082 0.000 0.903 878 Q HN 0.343 nan 8.270 nan 0.000 0.433 879 E N -1.165 119.053 120.200 0.030 0.000 2.122 879 E HA -0.064 4.287 4.350 0.002 0.000 0.190 879 E C 1.516 178.161 176.600 0.075 0.000 0.977 879 E CA 0.871 57.291 56.400 0.032 0.000 0.820 879 E CB -0.362 29.356 29.700 0.030 0.000 0.770 879 E HN 0.552 nan 8.360 nan 0.000 0.462 880 Y N 0.899 121.200 120.300 0.001 0.000 2.114 880 Y HA -0.271 4.279 4.550 0.001 0.000 0.284 880 Y C 2.196 178.105 175.900 0.015 0.000 1.143 880 Y CA 1.881 59.990 58.100 0.015 0.000 1.135 880 Y CB -0.131 38.354 38.460 0.041 0.000 0.980 880 Y HN 0.004 nan 8.280 nan 0.000 0.499 881 Q N 0.536 120.387 119.800 0.085 0.000 2.224 881 Q HA -0.174 4.167 4.340 0.002 0.000 0.203 881 Q C 2.222 178.142 176.000 -0.134 0.000 0.970 881 Q CA 1.681 57.434 55.803 -0.083 0.000 0.865 881 Q CB -0.180 28.552 28.738 -0.010 0.000 0.922 881 Q HN 0.668 nan 8.270 nan 0.000 0.445 882 Q N -0.801 118.944 119.800 -0.092 0.000 2.016 882 Q HA -0.174 4.167 4.340 0.002 0.000 0.200 882 Q C 2.070 178.008 176.000 -0.104 0.000 0.978 882 Q CA 1.435 57.188 55.803 -0.082 0.000 0.833 882 Q CB -0.099 28.606 28.738 -0.055 0.000 0.895 882 Q HN 0.203 nan 8.270 nan 0.000 0.427 883 R N 0.174 120.606 120.500 -0.114 0.000 2.136 883 R HA -0.236 4.105 4.340 0.002 0.000 0.242 883 R C 2.045 178.249 176.300 -0.160 0.000 1.131 883 R CA 1.722 57.748 56.100 -0.124 0.000 0.937 883 R CB -0.490 29.737 30.300 -0.122 0.000 0.863 883 R HN 0.147 nan 8.270 nan 0.000 0.435 884 L N 0.187 121.260 121.223 -0.249 0.000 2.042 884 L HA -0.144 4.197 4.340 0.002 0.000 0.210 884 L C 2.309 179.102 176.870 -0.128 0.000 1.076 884 L CA 1.459 56.163 54.840 -0.226 0.000 0.749 884 L CB -0.759 41.096 42.059 -0.340 0.000 0.893 884 L HN 0.265 nan 8.230 nan 0.000 0.432 885 L N -1.076 120.080 121.223 -0.113 0.000 2.265 885 L HA -0.186 4.155 4.340 0.002 0.000 0.215 885 L C 2.749 179.583 176.870 -0.059 0.000 1.117 885 L CA 1.293 56.106 54.840 -0.045 0.000 0.782 885 L CB -0.289 41.743 42.059 -0.045 0.000 0.914 885 L HN 0.195 nan 8.230 nan 0.000 0.441 886 R N -0.228 120.199 120.500 -0.121 0.000 2.055 886 R HA -0.025 4.316 4.340 0.002 0.000 0.226 886 R C 1.076 177.211 176.300 -0.275 0.000 1.135 886 R CA 1.301 57.288 56.100 -0.189 0.000 0.959 886 R CB -0.120 30.106 30.300 -0.124 0.000 0.854 886 R HN 0.459 nan 8.270 nan 0.000 0.431 887 N N 1.334 119.938 118.700 -0.159 0.000 2.509 887 N HA -0.019 4.722 4.740 0.002 0.000 0.239 887 N C -0.841 174.649 175.510 -0.033 0.000 1.215 887 N CA -0.193 52.789 53.050 -0.114 0.000 0.882 887 N CB 0.017 38.463 38.487 -0.068 0.000 1.189 887 N HN 0.236 nan 8.380 nan 0.000 0.490 888 H N -0.193 118.876 119.070 -0.001 0.000 2.092 888 H HA -0.144 4.413 4.556 0.002 0.000 0.328 888 H C -0.402 174.960 175.328 0.056 0.000 0.925 888 H CA 0.504 56.568 56.048 0.027 0.000 1.084 888 H CB -1.355 28.445 29.762 0.063 0.000 1.580 888 H HN 0.235 nan 8.280 nan 0.000 0.346 889 S N 0.735 116.491 115.700 0.093 0.000 2.532 889 S HA 0.758 5.229 4.470 0.002 0.000 0.301 889 S C 0.441 175.019 174.600 -0.037 0.000 1.083 889 S CA -0.928 57.301 58.200 0.047 0.000 1.025 889 S CB 2.553 65.737 63.200 -0.025 0.000 1.056 889 S HN 0.261 nan 8.310 nan 0.000 0.494 890 L N 2.666 123.870 121.223 -0.032 0.000 2.408 890 L HA 0.492 4.833 4.340 0.002 0.000 0.268 890 L C -0.767 176.046 176.870 -0.095 0.000 0.986 890 L CA -0.968 53.807 54.840 -0.108 0.000 0.820 890 L CB 2.072 43.990 42.059 -0.236 0.000 1.303 890 L HN 0.677 nan 8.230 nan 0.000 0.411 891 D N 0.846 121.178 120.400 -0.112 0.000 2.506 891 D HA 0.215 4.856 4.640 0.002 0.000 0.272 891 D C 0.925 177.178 176.300 -0.077 0.000 1.214 891 D CA -0.388 53.489 54.000 -0.204 0.000 1.067 891 D CB 0.533 41.249 40.800 -0.140 0.000 1.117 891 D HN 0.199 nan 8.370 nan 0.000 0.578 892 F N 0.072 120.047 119.950 0.041 0.000 2.046 892 F HA -0.101 4.427 4.527 0.002 0.000 0.297 892 F C 2.065 177.941 175.800 0.128 0.000 1.123 892 F CA 1.280 59.316 58.000 0.060 0.000 1.199 892 F CB -1.136 37.830 39.000 -0.057 0.000 0.972 892 F HN 0.233 nan 8.300 nan 0.000 0.474 893 D N 0.062 120.637 120.400 0.292 0.000 2.228 893 D HA -0.166 4.475 4.640 0.002 0.000 0.203 893 D C 1.765 178.133 176.300 0.114 0.000 0.988 893 D CA 1.374 55.481 54.000 0.179 0.000 0.864 893 D CB -0.445 40.424 40.800 0.115 0.000 0.928 893 D HN 0.270 nan 8.370 nan 0.000 0.469 894 D N -0.232 120.224 120.400 0.093 0.000 2.137 894 D HA -0.007 4.634 4.640 0.002 0.000 0.202 894 D C 2.309 178.606 176.300 -0.005 0.000 0.970 894 D CA 0.164 54.178 54.000 0.022 0.000 0.837 894 D CB -0.231 40.554 40.800 -0.026 0.000 0.981 894 D HN 0.206 nan 8.370 nan 0.000 0.475 895 L N 0.466 121.725 121.223 0.060 0.000 2.189 895 L HA -0.168 4.173 4.340 0.002 0.000 0.214 895 L C 2.196 179.074 176.870 0.013 0.000 1.097 895 L CA 0.825 55.700 54.840 0.058 0.000 0.764 895 L CB -0.195 42.000 42.059 0.228 0.000 0.900 895 L HN 0.109 nan 8.230 nan 0.000 0.436 896 I N -1.645 118.933 120.570 0.013 0.000 3.172 896 I HA -0.149 4.022 4.170 0.002 0.000 0.278 896 I C 2.333 178.403 176.117 -0.079 0.000 1.174 896 I CA 0.568 61.835 61.300 -0.055 0.000 1.445 896 I CB 0.006 37.944 38.000 -0.103 0.000 1.175 896 I HN 0.258 nan 8.210 nan 0.000 0.447 897 M N 0.709 120.281 119.600 -0.046 0.000 2.319 897 M HA -0.121 4.360 4.480 0.002 0.000 0.265 897 M C 1.820 178.074 176.300 -0.077 0.000 1.068 897 M CA 1.544 56.818 55.300 -0.043 0.000 1.118 897 M CB -0.094 32.507 32.600 0.002 0.000 1.395 897 M HN 0.110 nan 8.290 nan 0.000 0.435 898 T N -0.824 113.669 114.554 -0.101 0.000 3.014 898 T HA -0.067 4.284 4.350 0.002 0.000 0.263 898 T C 1.688 176.265 174.700 -0.206 0.000 1.078 898 T CA 1.673 63.692 62.100 -0.136 0.000 1.135 898 T CB -0.335 68.441 68.868 -0.155 0.000 0.895 898 T HN 0.559 nan 8.240 nan 0.000 0.480 899 T N 0.634 115.020 114.554 -0.280 0.000 3.055 899 T HA 0.161 4.512 4.350 0.002 0.000 0.265 899 T C 1.824 176.001 174.700 -0.872 0.000 1.111 899 T CA 0.296 62.081 62.100 -0.525 0.000 1.118 899 T CB -0.540 68.008 68.868 -0.532 0.000 0.909 899 T HN 0.371 nan 8.240 nan 0.000 0.501 900 I N 0.376 120.672 120.570 -0.455 0.000 2.584 900 I HA 0.024 4.194 4.170 0.002 0.000 0.255 900 I C 2.784 178.851 176.117 -0.082 0.000 1.145 900 I CA 0.833 61.991 61.300 -0.237 0.000 1.462 900 I CB -0.277 37.675 38.000 -0.079 0.000 1.102 900 I HN 0.340 nan 8.210 nan 0.000 0.433 901 Q N 0.902 120.640 119.800 -0.102 0.000 2.230 901 Q HA -0.198 4.143 4.340 0.002 0.000 0.202 901 Q C 2.204 178.202 176.000 -0.003 0.000 0.963 901 Q CA 1.146 56.929 55.803 -0.033 0.000 0.866 901 Q CB 0.152 28.863 28.738 -0.045 0.000 0.931 901 Q HN 0.404 nan 8.270 nan 0.000 0.452 902 L N -0.225 120.965 121.223 -0.054 0.000 2.109 902 L HA -0.049 4.292 4.340 0.002 0.000 0.207 902 L C 1.566 178.593 176.870 0.262 0.000 1.086 902 L CA 1.512 56.381 54.840 0.049 0.000 0.760 902 L CB -0.420 41.629 42.059 -0.016 0.000 0.910 902 L HN 0.176 nan 8.230 nan 0.000 0.437 903 F N -0.118 119.854 119.950 0.036 0.000 2.163 903 F HA -0.060 4.468 4.527 0.002 0.000 0.297 903 F C 2.298 178.106 175.800 0.013 0.000 1.094 903 F CA 0.850 58.868 58.000 0.030 0.000 1.290 903 F CB -1.118 37.889 39.000 0.012 0.000 1.017 903 F HN 0.173 nan 8.300 nan 0.000 0.483 904 D N -0.602 119.925 120.400 0.212 0.000 2.277 904 D HA -0.056 4.585 4.640 0.002 0.000 0.208 904 D C 2.275 178.630 176.300 0.091 0.000 0.962 904 D CA 0.631 54.702 54.000 0.118 0.000 0.865 904 D CB -0.003 40.846 40.800 0.081 0.000 0.939 904 D HN 0.155 nan 8.370 nan 0.000 0.510 905 R N -0.298 120.260 120.500 0.096 0.000 2.254 905 R HA 0.142 4.483 4.340 0.002 0.000 0.193 905 R C 0.035 176.385 176.300 0.083 0.000 0.929 905 R CA 0.213 56.357 56.100 0.073 0.000 1.038 905 R CB 0.954 31.286 30.300 0.053 0.000 1.009 905 R HN -0.046 nan 8.270 nan 0.000 0.512 906 V N 0.987 120.970 119.914 0.115 0.000 2.564 906 V HA 0.398 4.519 4.120 0.002 0.000 0.259 906 V C -2.496 173.683 176.094 0.143 0.000 0.936 906 V CA -1.961 60.409 62.300 0.117 0.000 0.867 906 V CB 1.697 33.588 31.823 0.113 0.000 1.076 906 V HN 0.023 nan 8.190 nan 0.000 0.476 907 P HA -0.164 nan 4.420 nan 0.000 0.218 907 P C 1.028 178.414 177.300 0.143 0.000 1.150 907 P CA 1.997 65.161 63.100 0.106 0.000 0.841 907 P CB 0.188 31.995 31.700 0.178 0.000 0.784 908 D N -0.749 119.750 120.400 0.165 0.000 2.149 908 D HA -0.121 4.520 4.640 0.002 0.000 0.198 908 D C 1.876 178.254 176.300 0.130 0.000 0.990 908 D CA 1.032 55.121 54.000 0.148 0.000 0.839 908 D CB -1.129 39.721 40.800 0.083 0.000 0.948 908 D HN 0.106 nan 8.370 nan 0.000 0.460 909 V N 0.877 120.881 119.914 0.149 0.000 2.626 909 V HA -0.173 3.948 4.120 0.002 0.000 0.252 909 V C 2.302 178.498 176.094 0.171 0.000 1.067 909 V CA 0.979 63.429 62.300 0.251 0.000 1.081 909 V CB -0.419 31.644 31.823 0.400 0.000 0.686 909 V HN 0.125 nan 8.190 nan 0.000 0.468 910 L N -0.785 120.333 121.223 -0.176 0.000 2.102 910 L HA 0.033 4.374 4.340 0.002 0.000 0.202 910 L C 2.419 179.087 176.870 -0.335 0.000 1.076 910 L CA 1.848 56.295 54.840 -0.654 0.000 0.761 910 L CB -1.066 40.525 42.059 -0.780 0.000 0.921 910 L HN 0.281 nan 8.230 nan 0.000 0.444 911 H N -1.349 117.673 119.070 -0.079 0.000 2.489 911 H HA -0.204 4.353 4.556 0.002 0.000 0.295 911 H C 1.882 177.218 175.328 0.013 0.000 1.082 911 H CA 1.928 57.953 56.048 -0.038 0.000 1.295 911 H CB -0.233 29.509 29.762 -0.033 0.000 1.380 911 H HN 0.582 nan 8.280 nan 0.000 0.548 912 Y N 0.216 120.492 120.300 -0.040 0.000 2.314 912 Y HA -0.153 4.398 4.550 0.002 0.000 0.294 912 Y C 1.651 177.383 175.900 -0.280 0.000 1.119 912 Y CA 0.827 58.850 58.100 -0.128 0.000 1.179 912 Y CB -0.498 37.798 38.460 -0.273 0.000 1.025 912 Y HN -0.051 nan 8.280 nan 0.000 0.541 913 Y N 0.584 120.570 120.300 -0.523 0.000 2.395 913 Y HA -0.074 4.477 4.550 0.002 0.000 0.293 913 Y C 2.441 178.120 175.900 -0.368 0.000 1.123 913 Y CA 1.361 59.013 58.100 -0.746 0.000 1.227 913 Y CB -0.355 37.851 38.460 -0.423 0.000 1.012 913 Y HN 0.198 nan 8.280 nan 0.000 0.552 914 Q N -1.582 118.196 119.800 -0.038 0.000 2.172 914 Q HA -0.200 4.141 4.340 0.002 0.000 0.200 914 Q C 1.516 177.624 176.000 0.178 0.000 0.964 914 Q CA 1.296 57.143 55.803 0.074 0.000 0.855 914 Q CB -0.178 28.571 28.738 0.018 0.000 0.918 914 Q HN 0.599 nan 8.270 nan 0.000 0.444 915 Y N 0.757 121.040 120.300 -0.028 0.000 2.490 915 Y HA 0.040 4.591 4.550 0.002 0.000 0.285 915 Y C 1.899 177.825 175.900 0.044 0.000 1.117 915 Y CA 0.796 58.962 58.100 0.110 0.000 1.262 915 Y CB 0.294 38.769 38.460 0.026 0.000 1.043 915 Y HN -0.173 nan 8.280 nan 0.000 0.553 916 K N -0.713 119.411 120.400 -0.460 0.000 2.168 916 K HA 0.019 4.340 4.320 0.002 0.000 0.201 916 K C -0.343 176.016 176.600 -0.402 0.000 1.049 916 K CA 0.326 56.224 56.287 -0.648 0.000 0.974 916 K CB -0.158 31.666 32.500 -1.128 0.000 0.792 916 K HN 0.102 nan 8.250 nan 0.000 0.463 917 F N 2.980 122.796 119.950 -0.223 0.000 2.605 917 F HA 0.222 4.750 4.527 0.002 0.000 0.352 917 F C 1.366 177.073 175.800 -0.156 0.000 1.236 917 F CA -0.230 57.668 58.000 -0.171 0.000 1.267 917 F CB 0.539 39.457 39.000 -0.136 0.000 1.632 917 F HN 0.084 nan 8.300 nan 0.000 0.639 918 Q N 0.805 120.523 119.800 -0.137 0.000 2.224 918 Q HA -0.092 4.249 4.340 0.002 0.000 0.203 918 Q C -0.492 175.158 176.000 -0.584 0.000 0.970 918 Q CA 1.180 56.640 55.803 -0.571 0.000 0.865 918 Q CB 0.186 28.557 28.738 -0.612 0.000 0.922 918 Q HN 0.475 nan 8.270 nan 0.000 0.445 919 Y N -0.376 119.840 120.300 -0.139 0.000 2.327 919 Y HA 0.405 4.956 4.550 0.002 0.000 0.325 919 Y C -0.614 175.213 175.900 -0.122 0.000 0.999 919 Y CA -0.619 57.398 58.100 -0.139 0.000 1.195 919 Y CB 1.119 39.507 38.460 -0.120 0.000 1.132 919 Y HN -0.112 nan 8.280 nan 0.000 0.455 920 I N 4.294 124.789 120.570 -0.126 0.000 2.354 920 I HA 0.388 4.559 4.170 0.002 0.000 0.292 920 I C -0.737 175.247 176.117 -0.223 0.000 0.989 920 I CA -0.610 60.604 61.300 -0.143 0.000 1.188 920 I CB 1.146 39.060 38.000 -0.144 0.000 1.342 920 I HN 0.614 nan 8.210 nan 0.000 0.457 921 H N 5.669 124.691 119.070 -0.080 0.000 2.622 921 H HA 0.723 5.280 4.556 0.002 0.000 0.363 921 H C -0.960 174.317 175.328 -0.085 0.000 1.151 921 H CA -0.772 55.238 56.048 -0.064 0.000 1.184 921 H CB 2.354 32.091 29.762 -0.043 0.000 1.643 921 H HN 0.501 nan 8.280 nan 0.000 0.531 922 I N 0.461 121.085 120.570 0.089 0.000 2.571 922 I HA 0.327 4.498 4.170 0.002 0.000 0.286 922 I C -1.278 174.951 176.117 0.187 0.000 1.134 922 I CA -0.516 60.840 61.300 0.092 0.000 1.052 922 I CB 1.430 39.540 38.000 0.183 0.000 1.237 922 I HN 0.449 nan 8.210 nan 0.000 0.435 923 D N 5.288 125.794 120.400 0.176 0.000 2.344 923 D HA 0.216 4.857 4.640 0.002 0.000 0.244 923 D C -0.160 176.367 176.300 0.377 0.000 1.134 923 D CA 0.864 54.993 54.000 0.216 0.000 0.930 923 D CB 0.825 41.725 40.800 0.167 0.000 1.175 923 D HN 0.621 nan 8.370 nan 0.000 0.437 924 E N 1.789 122.154 120.200 0.275 0.000 2.197 924 E HA -0.308 4.043 4.350 0.002 0.000 0.184 924 E C 0.187 176.969 176.600 0.303 0.000 1.439 924 E CA 0.310 56.840 56.400 0.218 0.000 0.688 924 E CB -1.627 28.145 29.700 0.120 0.000 1.090 924 E HN 0.553 nan 8.360 nan 0.000 0.341 925 Y N 1.349 121.755 120.300 0.176 0.000 2.574 925 Y HA -0.152 4.399 4.550 0.002 0.000 0.294 925 Y C 2.477 178.454 175.900 0.129 0.000 1.142 925 Y CA 1.889 60.116 58.100 0.211 0.000 1.314 925 Y CB 0.364 38.918 38.460 0.157 0.000 0.991 925 Y HN 0.349 nan 8.280 nan 0.000 0.555 926 Q N -1.225 118.592 119.800 0.028 0.000 2.451 926 Q HA -0.066 4.275 4.340 0.002 0.000 0.206 926 Q C 0.132 176.042 176.000 -0.150 0.000 0.947 926 Q CA 1.214 56.980 55.803 -0.061 0.000 0.937 926 Q CB -0.093 28.641 28.738 -0.007 0.000 1.025 926 Q HN 0.382 nan 8.270 nan 0.000 0.511 927 D N 1.680 121.925 120.400 -0.258 0.000 2.349 927 D HA 0.050 4.691 4.640 0.002 0.000 0.214 927 D C -0.297 175.795 176.300 -0.347 0.000 1.063 927 D CA 0.315 54.051 54.000 -0.440 0.000 0.847 927 D CB 0.406 40.604 40.800 -1.003 0.000 0.933 927 D HN 0.234 nan 8.370 nan 0.000 0.513 928 T N 0.655 115.112 114.554 -0.163 0.000 2.779 928 T HA 0.242 4.593 4.350 0.002 0.000 0.296 928 T C 0.483 175.103 174.700 -0.133 0.000 0.938 928 T CA -0.813 61.248 62.100 -0.064 0.000 1.119 928 T CB 0.282 69.076 68.868 -0.124 0.000 0.891 928 T HN 0.164 nan 8.240 nan 0.000 0.526 929 N N 2.466 121.096 118.700 -0.117 0.000 2.408 929 N HA 0.273 5.014 4.740 0.002 0.000 0.260 929 N C 1.207 176.708 175.510 -0.016 0.000 1.242 929 N CA -1.183 51.813 53.050 -0.089 0.000 0.959 929 N CB 1.116 39.544 38.487 -0.098 0.000 1.201 929 N HN 0.432 nan 8.380 nan 0.000 0.511 930 R N -0.218 120.301 120.500 0.030 0.000 2.139 930 R HA -0.252 4.089 4.340 0.002 0.000 0.243 930 R C 1.911 178.277 176.300 0.111 0.000 1.145 930 R CA 1.742 57.925 56.100 0.138 0.000 0.976 930 R CB -0.570 29.798 30.300 0.114 0.000 0.866 930 R HN 0.810 nan 8.270 nan 0.000 0.449 931 A N 0.313 123.143 122.820 0.017 0.000 1.873 931 A HA -0.204 4.117 4.320 0.002 0.000 0.215 931 A C 1.972 179.515 177.584 -0.069 0.000 1.186 931 A CA 1.309 53.331 52.037 -0.025 0.000 0.616 931 A CB -0.373 18.595 19.000 -0.053 0.000 0.823 931 A HN 0.381 nan 8.150 nan 0.000 0.442 932 Q N -2.274 117.420 119.800 -0.177 0.000 2.297 932 Q HA -0.116 4.225 4.340 0.002 0.000 0.204 932 Q C 1.823 177.845 176.000 0.037 0.000 0.962 932 Q CA 1.442 57.029 55.803 -0.360 0.000 0.879 932 Q CB -0.248 27.917 28.738 -0.955 0.000 0.947 932 Q HN 0.851 nan 8.270 nan 0.000 0.462 933 Y N 0.452 120.743 120.300 -0.016 0.000 2.176 933 Y HA -0.136 4.415 4.550 0.002 0.000 0.291 933 Y C 2.147 178.130 175.900 0.137 0.000 1.122 933 Y CA 1.720 59.880 58.100 0.100 0.000 1.128 933 Y CB -0.561 37.923 38.460 0.040 0.000 1.005 933 Y HN -0.063 nan 8.280 nan 0.000 0.509 934 T N 1.976 116.420 114.554 -0.185 0.000 2.665 934 T HA -0.221 4.130 4.350 0.002 0.000 0.268 934 T C 1.820 176.471 174.700 -0.081 0.000 1.035 934 T CA 1.754 63.719 62.100 -0.225 0.000 1.151 934 T CB -0.758 68.071 68.868 -0.064 0.000 0.862 934 T HN 0.312 nan 8.240 nan 0.000 0.438 935 L N 1.059 122.297 121.223 0.026 0.000 1.976 935 L HA 0.014 4.355 4.340 0.002 0.000 0.209 935 L C 2.497 179.464 176.870 0.162 0.000 1.071 935 L CA 1.567 56.481 54.840 0.123 0.000 0.746 935 L CB -1.014 41.137 42.059 0.154 0.000 0.890 935 L HN 0.087 nan 8.230 nan 0.000 0.432 936 V N -0.332 119.714 119.914 0.219 0.000 2.913 936 V HA -0.221 3.900 4.120 0.002 0.000 0.260 936 V C 2.675 178.854 176.094 0.142 0.000 1.098 936 V CA 1.425 63.851 62.300 0.209 0.000 1.121 936 V CB -0.545 31.490 31.823 0.353 0.000 0.714 936 V HN 0.472 nan 8.190 nan 0.000 0.487 937 K N -0.175 120.257 120.400 0.052 0.000 2.062 937 K HA -0.107 4.214 4.320 0.002 0.000 0.205 937 K C 2.154 178.773 176.600 0.031 0.000 1.051 937 K CA 1.148 57.441 56.287 0.010 0.000 0.941 937 K CB -0.066 32.281 32.500 -0.254 0.000 0.719 937 K HN 0.407 nan 8.250 nan 0.000 0.440 938 K N 0.617 121.032 120.400 0.024 0.000 2.211 938 K HA -0.024 4.297 4.320 0.002 0.000 0.203 938 K C 2.001 178.625 176.600 0.040 0.000 1.050 938 K CA 0.641 56.947 56.287 0.031 0.000 0.945 938 K CB 0.067 32.608 32.500 0.069 0.000 0.732 938 K HN 0.119 nan 8.250 nan 0.000 0.451 939 L N -0.179 121.098 121.223 0.089 0.000 2.313 939 L HA -0.003 4.338 4.340 0.002 0.000 0.214 939 L C 1.528 178.468 176.870 0.117 0.000 1.119 939 L CA 0.305 55.215 54.840 0.117 0.000 0.809 939 L CB 0.052 42.194 42.059 0.137 0.000 0.933 939 L HN 0.053 nan 8.230 nan 0.000 0.449 940 A N -1.030 121.844 122.820 0.089 0.000 2.701 940 A HA 0.102 4.423 4.320 0.002 0.000 0.297 940 A C 1.536 179.178 177.584 0.097 0.000 1.197 940 A CA -0.304 51.787 52.037 0.089 0.000 0.963 940 A CB -0.099 18.926 19.000 0.042 0.000 1.175 940 A HN 0.279 nan 8.150 nan 0.000 0.531 941 E N 0.077 120.316 120.200 0.065 0.000 2.299 941 E HA -0.045 4.306 4.350 0.002 0.000 0.193 941 E C 1.954 178.551 176.600 -0.006 0.000 0.998 941 E CA 0.416 56.839 56.400 0.037 0.000 0.851 941 E CB 0.042 29.746 29.700 0.006 0.000 0.795 941 E HN 0.632 nan 8.360 nan 0.000 0.492 942 R N -0.829 119.645 120.500 -0.044 0.000 2.090 942 R HA 0.006 4.347 4.340 0.002 0.000 0.219 942 R C 1.327 177.425 176.300 -0.337 0.000 1.100 942 R CA 0.758 56.733 56.100 -0.207 0.000 0.991 942 R CB 0.076 30.198 30.300 -0.296 0.000 0.893 942 R HN 0.135 nan 8.270 nan 0.000 0.443 943 F N 0.661 120.601 119.950 -0.017 0.000 2.622 943 F HA 0.243 4.771 4.527 0.002 0.000 0.288 943 F C 0.867 176.615 175.800 -0.085 0.000 1.120 943 F CA 0.111 58.069 58.000 -0.069 0.000 1.423 943 F CB 0.389 39.302 39.000 -0.145 0.000 1.127 943 F HN -0.017 nan 8.300 nan 0.000 0.588 944 Q N -0.070 119.793 119.800 0.105 0.000 2.452 944 Q HA -0.230 4.111 4.340 0.002 0.000 0.248 944 Q C -0.632 175.337 176.000 -0.051 0.000 0.874 944 Q CA 0.624 56.458 55.803 0.052 0.000 1.208 944 Q CB -2.272 26.524 28.738 0.096 0.000 1.569 944 Q HN 0.407 nan 8.270 nan 0.000 0.579 945 N N 1.125 119.747 118.700 -0.129 0.000 3.331 945 N HA 0.239 4.980 4.740 0.002 0.000 0.303 945 N C -0.040 175.328 175.510 -0.237 0.000 1.326 945 N CA 0.141 53.035 53.050 -0.261 0.000 1.207 945 N CB 0.168 38.247 38.487 -0.679 0.000 1.477 945 N HN 0.415 nan 8.380 nan 0.000 0.541 946 I N 0.297 120.752 120.570 -0.192 0.000 2.353 946 I HA 0.226 4.397 4.170 0.002 0.000 0.293 946 I C -0.488 175.525 176.117 -0.174 0.000 0.992 946 I CA -0.642 60.545 61.300 -0.188 0.000 1.268 946 I CB 0.996 38.869 38.000 -0.211 0.000 1.387 946 I HN 0.168 nan 8.210 nan 0.000 0.478 947 C N 8.202 127.368 119.300 -0.224 0.000 2.335 947 C HA 0.787 5.248 4.460 0.002 0.000 0.318 947 C C 0.305 175.153 174.990 -0.236 0.000 1.150 947 C CA -0.362 58.510 59.018 -0.243 0.000 1.466 947 C CB -0.423 27.162 27.740 -0.259 0.000 2.024 947 C HN 0.842 nan 8.230 nan 0.000 0.429 948 A N 5.782 128.335 122.820 -0.444 0.000 2.260 948 A HA 0.704 5.025 4.320 0.002 0.000 0.308 948 A C -0.421 176.963 177.584 -0.333 0.000 1.254 948 A CA -0.247 51.499 52.037 -0.485 0.000 0.874 948 A CB 0.632 18.938 19.000 -1.157 0.000 1.153 948 A HN 0.892 nan 8.150 nan 0.000 0.527 949 V N 2.040 121.909 119.914 -0.075 0.000 2.547 949 V HA 0.914 5.035 4.120 0.002 0.000 0.299 949 V C 0.710 176.852 176.094 0.079 0.000 1.040 949 V CA 0.493 62.782 62.300 -0.019 0.000 0.913 949 V CB 1.383 33.212 31.823 0.009 0.000 0.992 949 V HN 1.536 nan 8.190 nan 0.000 0.449 950 G N 2.391 111.219 108.800 0.047 0.000 2.313 950 G HA2 0.423 4.384 3.960 0.002 0.000 0.296 950 G HA3 0.423 4.384 3.960 0.002 0.000 0.296 950 G C -2.346 172.578 174.900 0.040 0.000 1.356 950 G CA -0.516 44.629 45.100 0.075 0.000 0.833 950 G HN 0.584 nan 8.290 nan 0.000 0.552 951 D N -0.360 120.062 120.400 0.037 0.000 2.549 951 D HA 0.646 5.286 4.640 0.002 0.000 0.251 951 D C 1.068 177.383 176.300 0.025 0.000 1.153 951 D CA 0.277 54.290 54.000 0.022 0.000 0.861 951 D CB 1.768 42.574 40.800 0.009 0.000 1.207 951 D HN 0.613 nan 8.370 nan 0.000 0.543 952 A N 3.700 126.538 122.820 0.030 0.000 1.877 952 A HA -0.147 4.173 4.320 0.002 0.000 0.216 952 A C 1.317 178.911 177.584 0.016 0.000 1.186 952 A CA 1.139 53.193 52.037 0.029 0.000 0.620 952 A CB -0.250 18.771 19.000 0.036 0.000 0.822 952 A HN 0.638 nan 8.150 nan 0.000 0.443 953 D N -0.381 120.028 120.400 0.015 0.000 2.417 953 D HA -0.083 4.558 4.640 0.002 0.000 0.240 953 D C 0.951 177.251 176.300 0.000 0.000 1.062 953 D CA 0.864 54.870 54.000 0.010 0.000 0.959 953 D CB -0.122 40.685 40.800 0.012 0.000 0.877 953 D HN 0.658 nan 8.370 nan 0.000 0.528 954 Q N -0.540 119.259 119.800 -0.003 0.000 2.118 954 Q HA 0.061 4.402 4.340 0.002 0.000 0.219 954 Q C -0.394 175.589 176.000 -0.027 0.000 0.794 954 Q CA -0.137 55.657 55.803 -0.014 0.000 1.035 954 Q CB 0.948 29.682 28.738 -0.007 0.000 1.177 954 Q HN 0.025 nan 8.270 nan 0.000 0.478 955 S N 1.381 117.067 115.700 -0.024 0.000 2.455 955 S HA 0.254 4.725 4.470 0.002 0.000 0.278 955 S C 0.642 175.205 174.600 -0.062 0.000 1.216 955 S CA -0.320 57.861 58.200 -0.033 0.000 1.055 955 S CB 0.066 63.251 63.200 -0.025 0.000 0.939 955 S HN 0.428 nan 8.310 nan 0.000 0.494 956 I N -1.616 118.860 120.570 -0.156 0.000 3.621 956 I HA 0.406 4.577 4.170 0.002 0.000 0.325 956 I C -1.008 174.837 176.117 -0.453 0.000 1.554 956 I CA -0.559 60.588 61.300 -0.255 0.000 1.053 956 I CB 0.001 37.792 38.000 -0.349 0.000 1.302 956 I HN 0.491 nan 8.210 nan 0.000 0.518 957 Y N 0.984 121.199 120.300 -0.142 0.000 2.768 957 Y HA 0.340 4.891 4.550 0.002 0.000 0.249 957 Y C 1.991 177.487 175.900 -0.674 0.000 1.146 957 Y CA -0.786 56.935 58.100 -0.632 0.000 1.171 957 Y CB 0.101 38.211 38.460 -0.583 0.000 1.249 957 Y HN 0.165 nan 8.280 nan 0.000 0.567 958 R N 1.000 121.415 120.500 -0.143 0.000 2.154 958 R HA -0.196 4.145 4.340 0.002 0.000 0.248 958 R C 1.516 177.813 176.300 -0.006 0.000 1.155 958 R CA 2.637 58.721 56.100 -0.026 0.000 0.979 958 R CB -0.381 29.977 30.300 0.097 0.000 0.869 958 R HN 0.588 nan 8.270 nan 0.000 0.452 959 W N -0.051 121.279 121.300 0.051 0.000 2.407 959 W HA 0.008 4.669 4.660 0.001 0.000 0.305 959 W C 1.459 178.019 176.519 0.067 0.000 1.196 959 W CA 0.219 57.594 57.345 0.052 0.000 1.311 959 W CB -1.017 28.470 29.460 0.045 0.000 1.135 959 W HN 0.021 nan 8.180 nan 0.000 0.514 960 R N 0.953 121.073 120.500 -0.633 0.000 2.303 960 R HA -0.011 4.329 4.340 0.002 0.000 0.225 960 R C 1.741 177.927 176.300 -0.189 0.000 1.114 960 R CA 1.469 57.326 56.100 -0.405 0.000 1.007 960 R CB -0.530 29.349 30.300 -0.702 0.000 0.861 960 R HN 0.557 nan 8.270 nan 0.000 0.471 961 G N -1.801 106.904 108.800 -0.159 0.000 2.227 961 G HA2 -0.172 3.789 3.960 0.002 0.000 0.168 961 G HA3 -0.172 3.789 3.960 0.002 0.000 0.168 961 G C 0.024 174.862 174.900 -0.104 0.000 1.006 961 G CA -0.180 44.872 45.100 -0.081 0.000 0.684 961 G HN 0.464 nan 8.290 nan 0.000 0.489 962 A N 0.522 123.244 122.820 -0.163 0.000 2.332 962 A HA 0.620 4.941 4.320 0.002 0.000 0.258 962 A C -0.191 177.330 177.584 -0.106 0.000 1.087 962 A CA 0.553 52.500 52.037 -0.149 0.000 0.802 962 A CB 0.393 19.289 19.000 -0.174 0.000 1.042 962 A HN 0.480 nan 8.150 nan 0.000 0.489 963 D N 1.083 121.420 120.400 -0.106 0.000 2.936 963 D HA 0.161 4.802 4.640 0.002 0.000 0.238 963 D C 0.526 176.782 176.300 -0.074 0.000 1.248 963 D CA -0.413 53.541 54.000 -0.076 0.000 0.903 963 D CB 1.314 42.068 40.800 -0.077 0.000 1.544 963 D HN 0.399 nan 8.370 nan 0.000 0.543 964 I N 0.513 121.061 120.570 -0.038 0.000 2.700 964 I HA -0.236 3.935 4.170 0.002 0.000 0.261 964 I C 1.095 177.207 176.117 -0.008 0.000 1.219 964 I CA 1.141 62.430 61.300 -0.019 0.000 1.463 964 I CB 0.236 38.237 38.000 0.001 0.000 1.092 964 I HN 0.195 nan 8.210 nan 0.000 0.452 965 Q N 0.475 120.262 119.800 -0.022 0.000 2.415 965 Q HA -0.033 4.308 4.340 0.002 0.000 0.206 965 Q C 1.034 177.012 176.000 -0.037 0.000 0.946 965 Q CA 0.356 56.150 55.803 -0.014 0.000 0.951 965 Q CB 0.073 28.802 28.738 -0.016 0.000 1.026 965 Q HN 0.543 nan 8.270 nan 0.000 0.510 966 N N 0.240 118.894 118.700 -0.075 0.000 2.402 966 N HA 0.022 4.763 4.740 0.002 0.000 0.174 966 N C 1.515 177.130 175.510 0.174 0.000 1.027 966 N CA 0.334 53.304 53.050 -0.134 0.000 0.891 966 N CB 0.325 38.602 38.487 -0.350 0.000 1.016 966 N HN 0.332 nan 8.380 nan 0.000 0.439 967 I N -0.975 119.722 120.570 0.210 0.000 3.035 967 I HA 0.083 4.254 4.170 0.002 0.000 0.271 967 I C 1.126 177.400 176.117 0.262 0.000 1.190 967 I CA 0.484 62.031 61.300 0.411 0.000 1.472 967 I CB 0.189 38.392 38.000 0.339 0.000 1.116 967 I HN -0.018 nan 8.210 nan 0.000 0.443 968 L N 1.009 122.326 121.223 0.156 0.000 2.156 968 L HA -0.041 4.300 4.340 0.002 0.000 0.208 968 L C 2.005 178.958 176.870 0.138 0.000 1.095 968 L CA 1.308 56.219 54.840 0.119 0.000 0.770 968 L CB -0.222 41.880 42.059 0.071 0.000 0.914 968 L HN 0.437 nan 8.230 nan 0.000 0.439 969 S N -1.699 114.088 115.700 0.144 0.000 2.537 969 S HA 0.048 4.519 4.470 0.002 0.000 0.246 969 S C 1.145 175.862 174.600 0.195 0.000 1.036 969 S CA -0.609 57.668 58.200 0.129 0.000 1.041 969 S CB -0.442 62.791 63.200 0.055 0.000 0.799 969 S HN 0.277 nan 8.310 nan 0.000 0.456 970 F N 2.994 123.030 119.950 0.144 0.000 2.113 970 F HA 0.018 4.546 4.527 0.002 0.000 0.297 970 F C 2.012 177.949 175.800 0.229 0.000 1.103 970 F CA 1.660 59.787 58.000 0.211 0.000 1.248 970 F CB -0.173 38.904 39.000 0.129 0.000 0.999 970 F HN 0.354 nan 8.300 nan 0.000 0.475 971 E N -0.320 120.096 120.200 0.359 0.000 2.510 971 E HA -0.166 4.185 4.350 0.002 0.000 0.202 971 E C 1.905 178.575 176.600 0.116 0.000 1.072 971 E CA 0.432 56.978 56.400 0.243 0.000 0.883 971 E CB -0.124 29.695 29.700 0.198 0.000 0.818 971 E HN 0.504 nan 8.360 nan 0.000 0.548 972 R N 0.263 120.805 120.500 0.070 0.000 2.146 972 R HA 0.009 4.350 4.340 0.002 0.000 0.206 972 R C 1.451 177.703 176.300 -0.081 0.000 1.049 972 R CA 0.610 56.715 56.100 0.009 0.000 1.029 972 R CB 0.345 30.656 30.300 0.019 0.000 0.949 972 R HN 0.078 nan 8.270 nan 0.000 0.471 973 D N -0.464 119.844 120.400 -0.152 0.000 2.277 973 D HA -0.068 4.573 4.640 0.002 0.000 0.208 973 D C -0.403 175.359 176.300 -0.896 0.000 0.962 973 D CA 1.218 54.952 54.000 -0.444 0.000 0.865 973 D CB 0.365 40.934 40.800 -0.385 0.000 0.939 973 D HN 0.178 nan 8.370 nan 0.000 0.510 974 Y N -0.314 119.883 120.300 -0.171 0.000 2.445 974 Y HA 0.223 4.774 4.550 0.002 0.000 0.332 974 Y C -1.810 174.073 175.900 -0.030 0.000 1.037 974 Y CA -1.917 56.111 58.100 -0.118 0.000 1.296 974 Y CB 1.817 40.164 38.460 -0.188 0.000 1.099 974 Y HN -0.189 nan 8.280 nan 0.000 0.496 975 P HA -0.106 nan 4.420 nan 0.000 0.225 975 P C 0.019 177.374 177.300 0.091 0.000 1.148 975 P CA 1.312 64.451 63.100 0.065 0.000 0.779 975 P CB 0.450 32.166 31.700 0.027 0.000 0.780 976 N N -0.331 118.436 118.700 0.113 0.000 2.322 976 N HA 0.196 4.937 4.740 0.002 0.000 0.194 976 N C 0.460 176.044 175.510 0.123 0.000 1.126 976 N CA -0.478 52.633 53.050 0.102 0.000 0.845 976 N CB 0.120 38.660 38.487 0.090 0.000 0.976 976 N HN 0.096 nan 8.380 nan 0.000 0.475 977 A N 1.377 124.301 122.820 0.174 0.000 2.531 977 A HA 0.054 4.375 4.320 0.002 0.000 0.236 977 A C 0.442 178.108 177.584 0.136 0.000 1.062 977 A CA 0.458 52.620 52.037 0.209 0.000 0.760 977 A CB 0.464 19.684 19.000 0.367 0.000 0.995 977 A HN 0.047 nan 8.150 nan 0.000 0.501 978 K N 1.516 121.973 120.400 0.096 0.000 2.164 978 K HA 0.588 4.909 4.320 0.002 0.000 0.258 978 K C -1.552 175.058 176.600 0.017 0.000 0.951 978 K CA -0.405 55.912 56.287 0.050 0.000 0.844 978 K CB 1.678 34.197 32.500 0.032 0.000 1.099 978 K HN 0.440 nan 8.250 nan 0.000 0.435 979 V N 5.593 125.516 119.914 0.014 0.000 2.487 979 V HA 0.484 4.605 4.120 0.002 0.000 0.298 979 V C -0.216 175.871 176.094 -0.012 0.000 1.028 979 V CA -0.827 61.466 62.300 -0.011 0.000 0.860 979 V CB 1.589 33.419 31.823 0.012 0.000 0.991 979 V HN 0.659 nan 8.190 nan 0.000 0.427 980 I N 5.163 125.714 120.570 -0.033 0.000 2.474 980 I HA 0.490 4.661 4.170 0.002 0.000 0.294 980 I C -1.143 174.962 176.117 -0.021 0.000 1.005 980 I CA -0.683 60.604 61.300 -0.022 0.000 1.113 980 I CB 2.132 40.113 38.000 -0.031 0.000 1.289 980 I HN 0.372 nan 8.210 nan 0.000 0.436 981 L N 7.049 128.271 121.223 -0.002 0.000 2.298 981 L HA 0.458 4.799 4.340 0.002 0.000 0.284 981 L C -0.650 176.224 176.870 0.008 0.000 1.013 981 L CA -0.117 54.725 54.840 0.004 0.000 0.824 981 L CB 1.290 43.362 42.059 0.022 0.000 1.221 981 L HN 0.372 nan 8.230 nan 0.000 0.418 982 L N 4.238 125.454 121.223 -0.013 0.000 2.260 982 L HA 0.353 4.693 4.340 0.002 0.000 0.289 982 L C 0.688 177.529 176.870 -0.047 0.000 1.057 982 L CA 0.037 54.862 54.840 -0.026 0.000 0.811 982 L CB 0.739 42.774 42.059 -0.039 0.000 1.184 982 L HN 0.696 nan 8.230 nan 0.000 0.429 983 E N 1.454 121.613 120.200 -0.069 0.000 2.601 983 E HA 0.033 4.384 4.350 0.002 0.000 0.219 983 E C 0.056 176.350 176.600 -0.509 0.000 0.964 983 E CA -0.173 56.148 56.400 -0.131 0.000 1.050 983 E CB 0.948 30.687 29.700 0.066 0.000 1.068 983 E HN 0.564 nan 8.360 nan 0.000 0.496 984 Q N 1.942 121.340 119.800 -0.669 0.000 2.288 984 Q HA 0.163 4.504 4.340 0.002 0.000 0.258 984 Q C -0.775 174.702 176.000 -0.872 0.000 0.957 984 Q CA -0.156 54.872 55.803 -1.292 0.000 0.919 984 Q CB 0.646 28.687 28.738 -1.161 0.000 1.185 984 Q HN -0.031 nan 8.270 nan 0.000 0.408 985 N N 2.837 121.015 118.700 -0.870 0.000 2.430 985 N HA 0.202 4.943 4.740 0.002 0.000 0.292 985 N C -1.091 174.035 175.510 -0.640 0.000 1.051 985 N CA -0.249 52.491 53.050 -0.517 0.000 0.917 985 N CB 0.678 38.980 38.487 -0.308 0.000 1.164 985 N HN 0.597 nan 8.380 nan 0.000 0.484 986 Y N 1.144 121.343 120.300 -0.169 0.000 2.500 986 Y HA 0.296 4.847 4.550 0.002 0.000 0.246 986 Y C 1.817 177.667 175.900 -0.083 0.000 1.146 986 Y CA -0.351 57.675 58.100 -0.122 0.000 1.230 986 Y CB 0.354 38.746 38.460 -0.112 0.000 1.214 986 Y HN 0.568 nan 8.280 nan 0.000 0.526 987 R N -0.065 120.445 120.500 0.017 0.000 2.064 987 R HA 0.171 4.512 4.340 0.002 0.000 0.210 987 R C 0.560 176.849 176.300 -0.019 0.000 1.221 987 R CA 0.827 56.930 56.100 0.005 0.000 1.055 987 R CB -0.164 30.135 30.300 -0.002 0.000 0.946 987 R HN 0.063 nan 8.270 nan 0.000 0.459 988 S N 0.665 116.344 115.700 -0.036 0.000 2.661 988 S HA 0.177 4.648 4.470 0.002 0.000 0.265 988 S C 0.201 174.781 174.600 -0.032 0.000 1.225 988 S CA -0.294 57.888 58.200 -0.031 0.000 0.986 988 S CB 1.317 64.500 63.200 -0.029 0.000 1.008 988 S HN 0.552 nan 8.310 nan 0.000 0.565 989 T N -1.662 112.881 114.554 -0.018 0.000 2.912 989 T HA 0.397 4.748 4.350 0.002 0.000 0.280 989 T C 0.979 175.678 174.700 -0.002 0.000 0.989 989 T CA -0.862 61.233 62.100 -0.009 0.000 0.995 989 T CB 0.863 69.732 68.868 0.001 0.000 1.077 989 T HN 0.554 nan 8.240 nan 0.000 0.531 990 K N 0.207 120.613 120.400 0.010 0.000 2.044 990 K HA -0.190 4.131 4.320 0.002 0.000 0.210 990 K C 2.526 179.140 176.600 0.022 0.000 1.049 990 K CA 1.460 57.761 56.287 0.024 0.000 0.927 990 K CB -0.155 32.364 32.500 0.032 0.000 0.713 990 K HN 0.572 nan 8.250 nan 0.000 0.443 991 R N 0.370 120.882 120.500 0.020 0.000 2.080 991 R HA -0.089 4.252 4.340 0.002 0.000 0.236 991 R C 2.361 178.672 176.300 0.019 0.000 1.137 991 R CA 1.976 58.089 56.100 0.021 0.000 0.943 991 R CB -0.319 29.994 30.300 0.023 0.000 0.846 991 R HN 0.262 nan 8.270 nan 0.000 0.431 992 I N 0.453 121.031 120.570 0.014 0.000 2.454 992 I HA -0.276 3.895 4.170 0.002 0.000 0.254 992 I C 1.722 177.843 176.117 0.006 0.000 1.156 992 I CA 0.893 62.199 61.300 0.011 0.000 1.433 992 I CB -0.061 37.942 38.000 0.004 0.000 1.082 992 I HN 0.160 nan 8.210 nan 0.000 0.432 993 L N -0.178 121.048 121.223 0.005 0.000 2.068 993 L HA -0.144 4.197 4.340 0.002 0.000 0.204 993 L C 2.514 179.396 176.870 0.019 0.000 1.076 993 L CA 1.536 56.379 54.840 0.005 0.000 0.753 993 L CB -0.548 41.511 42.059 -0.001 0.000 0.910 993 L HN 0.132 nan 8.230 nan 0.000 0.439 994 Q N -0.790 119.026 119.800 0.027 0.000 2.112 994 Q HA -0.259 4.082 4.340 0.002 0.000 0.206 994 Q C 2.312 178.329 176.000 0.029 0.000 0.987 994 Q CA 1.821 57.643 55.803 0.032 0.000 0.858 994 Q CB -0.385 28.372 28.738 0.031 0.000 0.905 994 Q HN 0.594 nan 8.270 nan 0.000 0.420 995 A N 1.058 123.891 122.820 0.021 0.000 1.851 995 A HA -0.206 4.115 4.320 0.002 0.000 0.216 995 A C 2.322 179.913 177.584 0.013 0.000 1.195 995 A CA 1.872 53.918 52.037 0.014 0.000 0.622 995 A CB -1.164 17.843 19.000 0.012 0.000 0.831 995 A HN 0.435 nan 8.150 nan 0.000 0.444 996 A N -0.254 122.573 122.820 0.011 0.000 1.908 996 A HA -0.229 4.092 4.320 0.002 0.000 0.218 996 A C 2.020 179.617 177.584 0.022 0.000 1.181 996 A CA 1.912 53.955 52.037 0.009 0.000 0.627 996 A CB -0.728 18.274 19.000 0.003 0.000 0.818 996 A HN 0.564 nan 8.150 nan 0.000 0.445 997 N N -0.216 118.502 118.700 0.029 0.000 2.069 997 N HA -0.140 4.601 4.740 0.002 0.000 0.191 997 N C 1.713 177.260 175.510 0.061 0.000 1.031 997 N CA 1.486 54.561 53.050 0.042 0.000 0.852 997 N CB -0.286 38.228 38.487 0.045 0.000 1.018 997 N HN 0.474 nan 8.380 nan 0.000 0.423 998 E N 0.628 120.867 120.200 0.065 0.000 2.028 998 E HA -0.075 4.276 4.350 0.002 0.000 0.191 998 E C 2.230 178.929 176.600 0.166 0.000 0.988 998 E CA 0.519 56.985 56.400 0.109 0.000 0.799 998 E CB -0.513 29.239 29.700 0.086 0.000 0.755 998 E HN 0.098 nan 8.360 nan 0.000 0.447 999 V N 1.525 121.465 119.914 0.045 0.000 2.287 999 V HA -0.248 3.873 4.120 0.002 0.000 0.248 999 V C 2.451 178.568 176.094 0.039 0.000 1.053 999 V CA 1.649 63.918 62.300 -0.052 0.000 1.027 999 V CB -0.401 31.380 31.823 -0.069 0.000 0.646 999 V HN 0.163 nan 8.190 nan 0.000 0.447 1000 I N -0.234 120.375 120.570 0.064 0.000 2.928 1000 I HA -0.098 4.073 4.170 0.002 0.000 0.266 1000 I C 2.214 178.393 176.117 0.103 0.000 1.234 1000 I CA 1.194 62.535 61.300 0.068 0.000 1.483 1000 I CB -0.323 37.701 38.000 0.039 0.000 1.097 1000 I HN 0.341 nan 8.210 nan 0.000 0.455 1001 E N -0.723 119.561 120.200 0.140 0.000 2.478 1001 E HA -0.228 4.123 4.350 0.002 0.000 0.198 1001 E C 1.141 177.782 176.600 0.069 0.000 1.046 1001 E CA 0.544 56.999 56.400 0.091 0.000 0.870 1001 E CB -0.029 29.710 29.700 0.065 0.000 0.818 1001 E HN 0.616 nan 8.360 nan 0.000 0.527 1002 H N -0.458 118.613 119.070 0.002 0.000 2.551 1002 H HA 0.145 4.702 4.556 0.002 0.000 0.266 1002 H C -0.069 175.260 175.328 0.002 0.000 0.977 1002 H CA 0.143 56.191 56.048 0.000 0.000 1.163 1002 H CB 0.113 29.873 29.762 -0.003 0.000 1.381 1002 H HN -0.018 nan 8.280 nan 0.000 0.581 1003 N N -0.131 118.633 118.700 0.106 0.000 2.508 1003 N HA 0.091 4.832 4.740 0.002 0.000 0.285 1003 N C 1.014 176.545 175.510 0.035 0.000 1.144 1003 N CA -0.013 53.074 53.050 0.062 0.000 0.978 1003 N CB 1.888 40.405 38.487 0.050 0.000 1.180 1003 N HN 0.056 nan 8.380 nan 0.000 0.484 1004 V N -1.493 118.436 119.914 0.026 0.000 3.612 1004 V HA 0.302 4.423 4.120 0.002 0.000 0.268 1004 V C 0.660 176.766 176.094 0.019 0.000 1.365 1004 V CA -0.015 62.295 62.300 0.017 0.000 1.044 1004 V CB -0.216 31.613 31.823 0.010 0.000 0.820 1004 V HN 0.438 nan 8.190 nan 0.000 0.444 1005 N N 2.835 121.548 118.700 0.022 0.000 3.298 1005 N HA 0.343 5.084 4.740 0.002 0.000 0.292 1005 N C -0.033 175.492 175.510 0.025 0.000 1.271 1005 N CA -0.207 52.856 53.050 0.023 0.000 1.184 1005 N CB -0.315 38.185 38.487 0.022 0.000 1.452 1005 N HN 0.865 nan 8.380 nan 0.000 0.534 1006 R N -1.094 119.422 120.500 0.026 0.000 2.826 1006 R HA 0.499 4.840 4.340 0.002 0.000 0.269 1006 R C -1.311 175.006 176.300 0.028 0.000 1.031 1006 R CA -0.999 55.118 56.100 0.028 0.000 0.900 1006 R CB 0.960 31.276 30.300 0.028 0.000 1.318 1006 R HN -0.108 nan 8.270 nan 0.000 0.447 1007 K N 0.417 120.835 120.400 0.030 0.000 2.259 1007 K HA 0.465 4.786 4.320 0.002 0.000 0.249 1007 K C -2.563 174.053 176.600 0.027 0.000 0.942 1007 K CA -2.232 54.073 56.287 0.029 0.000 0.816 1007 K CB 2.022 34.543 32.500 0.034 0.000 1.155 1007 K HN 0.402 nan 8.250 nan 0.000 0.428 1008 P HA -0.086 nan 4.420 nan 0.000 0.260 1008 P C -1.361 175.958 177.300 0.031 0.000 1.172 1008 P CA 0.442 63.558 63.100 0.026 0.000 0.760 1008 P CB 0.255 31.969 31.700 0.023 0.000 0.773 1009 K N 2.600 123.021 120.400 0.034 0.000 2.589 1009 K HA 0.463 4.784 4.320 0.002 0.000 0.253 1009 K C -1.333 175.295 176.600 0.047 0.000 0.974 1009 K CA -0.875 55.435 56.287 0.039 0.000 0.835 1009 K CB 1.494 34.011 32.500 0.028 0.000 1.272 1009 K HN 0.204 nan 8.250 nan 0.000 0.444 1010 R N 5.221 125.763 120.500 0.070 0.000 2.422 1010 R HA 0.342 4.683 4.340 0.002 0.000 0.307 1010 R C -1.090 175.284 176.300 0.122 0.000 1.004 1010 R CA -0.627 55.524 56.100 0.086 0.000 0.882 1010 R CB 0.513 30.867 30.300 0.090 0.000 1.164 1010 R HN 0.563 nan 8.270 nan 0.000 0.489 1011 I N 6.055 126.660 120.570 0.058 0.000 2.505 1011 I HA 0.167 4.338 4.170 0.002 0.000 0.287 1011 I C 0.418 176.558 176.117 0.040 0.000 1.104 1011 I CA -0.061 61.232 61.300 -0.012 0.000 1.387 1011 I CB -0.118 37.847 38.000 -0.058 0.000 1.404 1011 I HN 0.451 nan 8.210 nan 0.000 0.528 1012 W N 4.441 125.701 121.300 -0.067 0.000 2.941 1012 W HA 0.864 5.524 4.660 0.002 0.000 0.352 1012 W C -0.526 175.919 176.519 -0.123 0.000 1.368 1012 W CA -1.030 56.269 57.345 -0.076 0.000 1.232 1012 W CB 1.060 30.481 29.460 -0.065 0.000 1.586 1012 W HN 0.492 nan 8.180 nan 0.000 0.649 1013 T N -0.901 113.740 114.554 0.145 0.000 2.840 1013 T HA 0.205 4.556 4.350 0.002 0.000 0.317 1013 T C -0.894 173.870 174.700 0.107 0.000 1.401 1013 T CA -0.434 61.580 62.100 -0.143 0.000 1.028 1013 T CB 1.840 70.611 68.868 -0.162 0.000 1.317 1013 T HN 0.506 nan 8.240 nan 0.000 0.495 1014 E N 1.705 121.879 120.200 -0.043 0.000 2.423 1014 E HA 0.240 4.591 4.350 0.002 0.000 0.198 1014 E C 0.072 176.687 176.600 0.026 0.000 1.038 1014 E CA -0.232 56.212 56.400 0.073 0.000 1.011 1014 E CB 0.178 29.927 29.700 0.081 0.000 1.118 1014 E HN 0.489 nan 8.360 nan 0.000 0.451 1015 N N 1.627 120.326 118.700 -0.003 0.000 2.482 1015 N HA 0.265 5.006 4.740 0.002 0.000 0.279 1015 N C -2.378 173.142 175.510 0.016 0.000 1.182 1015 N CA -1.723 51.328 53.050 0.002 0.000 0.969 1015 N CB 0.927 39.402 38.487 -0.020 0.000 1.201 1015 N HN -0.094 nan 8.380 nan 0.000 0.523 1016 P HA -0.080 nan 4.420 nan 0.000 0.271 1016 P C 0.372 177.682 177.300 0.016 0.000 1.233 1016 P CA 0.135 63.245 63.100 0.017 0.000 0.795 1016 P CB 0.760 32.468 31.700 0.013 0.000 0.936 1017 E N 0.104 120.315 120.200 0.018 0.000 2.072 1017 E HA -0.038 4.313 4.350 0.002 0.000 0.191 1017 E C 0.888 177.498 176.600 0.017 0.000 0.985 1017 E CA 0.993 57.404 56.400 0.019 0.000 0.801 1017 E CB -0.522 29.189 29.700 0.018 0.000 0.750 1017 E HN 0.742 nan 8.360 nan 0.000 0.452 1018 G N 0.944 109.753 108.800 0.015 0.000 2.860 1018 G HA2 -0.220 3.741 3.960 0.002 0.000 0.553 1018 G HA3 -0.220 3.741 3.960 0.002 0.000 0.553 1018 G C -0.886 174.025 174.900 0.019 0.000 1.439 1018 G CA -0.226 44.882 45.100 0.013 0.000 0.879 1018 G HN 0.071 nan 8.290 nan 0.000 0.545 1019 K N 0.914 121.326 120.400 0.020 0.000 2.295 1019 K HA 0.457 4.778 4.320 0.002 0.000 0.270 1019 K C -1.836 174.785 176.600 0.035 0.000 1.011 1019 K CA -1.654 54.650 56.287 0.029 0.000 0.953 1019 K CB 0.049 32.569 32.500 0.033 0.000 0.956 1019 K HN 0.377 nan 8.250 nan 0.000 0.477 1020 P HA 0.104 nan 4.420 nan 0.000 0.268 1020 P C -0.243 177.094 177.300 0.062 0.000 1.208 1020 P CA -0.230 62.899 63.100 0.048 0.000 0.777 1020 P CB 0.291 32.020 31.700 0.049 0.000 0.875 1021 I N 1.903 122.512 120.570 0.064 0.000 2.452 1021 I HA 0.043 4.214 4.170 0.002 0.000 0.287 1021 I C 0.469 176.657 176.117 0.119 0.000 1.079 1021 I CA 0.100 61.450 61.300 0.084 0.000 1.387 1021 I CB -0.166 37.877 38.000 0.072 0.000 1.404 1021 I HN 0.148 nan 8.210 nan 0.000 0.522 1022 L N 7.429 128.742 121.223 0.149 0.000 2.421 1022 L HA 0.352 4.693 4.340 0.002 0.000 0.263 1022 L C -0.642 176.388 176.870 0.266 0.000 1.122 1022 L CA -0.114 54.842 54.840 0.194 0.000 0.804 1022 L CB 0.519 42.705 42.059 0.211 0.000 1.150 1022 L HN 0.445 nan 8.230 nan 0.000 0.457 1023 Y N 1.826 122.193 120.300 0.112 0.000 2.421 1023 Y HA 0.417 4.968 4.550 0.002 0.000 0.339 1023 Y C -1.796 174.145 175.900 0.067 0.000 0.996 1023 Y CA -1.124 57.027 58.100 0.086 0.000 1.046 1023 Y CB 1.232 39.711 38.460 0.032 0.000 1.226 1023 Y HN 0.477 nan 8.280 nan 0.000 0.445 1024 Y N 6.081 125.838 120.300 -0.905 0.000 2.426 1024 Y HA 0.366 4.917 4.550 0.002 0.000 0.325 1024 Y C -0.777 174.505 175.900 -1.029 0.000 0.989 1024 Y CA -0.789 56.724 58.100 -0.979 0.000 1.284 1024 Y CB 0.931 38.642 38.460 -1.248 0.000 1.104 1024 Y HN 0.742 nan 8.280 nan 0.000 0.481 1025 E N 4.838 124.234 120.200 -1.340 0.000 2.180 1025 E HA 0.609 4.960 4.350 0.002 0.000 0.283 1025 E C -0.896 175.171 176.600 -0.887 0.000 1.061 1025 E CA -0.333 55.581 56.400 -0.810 0.000 0.861 1025 E CB 0.679 30.157 29.700 -0.370 0.000 1.056 1025 E HN 0.745 nan 8.360 nan 0.000 0.407 1026 A N 4.442 126.938 122.820 -0.540 0.000 2.269 1026 A HA 0.338 4.659 4.320 0.002 0.000 0.319 1026 A C 0.621 178.095 177.584 -0.183 0.000 1.110 1026 A CA -0.550 51.277 52.037 -0.351 0.000 0.847 1026 A CB 0.972 19.970 19.000 -0.002 0.000 1.161 1026 A HN 0.940 nan 8.150 nan 0.000 0.497 1027 M N 0.219 119.751 119.600 -0.114 0.000 2.419 1027 M HA 0.031 4.512 4.480 0.002 0.000 0.264 1027 M C 0.136 176.413 176.300 -0.037 0.000 1.082 1027 M CA 1.212 56.469 55.300 -0.071 0.000 1.119 1027 M CB -0.163 32.407 32.600 -0.050 0.000 1.398 1027 M HN 0.924 nan 8.290 nan 0.000 0.453 1028 N N -2.155 116.535 118.700 -0.017 0.000 2.927 1028 N HA 0.092 4.833 4.740 0.002 0.000 0.248 1028 N C -0.268 175.250 175.510 0.013 0.000 1.443 1028 N CA -0.748 52.300 53.050 -0.005 0.000 0.870 1028 N CB 0.391 38.876 38.487 -0.004 0.000 1.444 1028 N HN 0.021 nan 8.380 nan 0.000 0.519 1029 E N -0.485 119.719 120.200 0.008 0.000 2.118 1029 E HA -0.195 4.156 4.350 0.002 0.000 0.195 1029 E C 1.541 178.151 176.600 0.017 0.000 0.992 1029 E CA 1.446 57.853 56.400 0.012 0.000 0.804 1029 E CB -0.336 29.361 29.700 -0.005 0.000 0.741 1029 E HN 0.590 nan 8.360 nan 0.000 0.458 1030 A N 1.820 124.646 122.820 0.010 0.000 1.933 1030 A HA -0.236 4.085 4.320 0.002 0.000 0.218 1030 A C 1.981 179.584 177.584 0.032 0.000 1.175 1030 A CA 1.759 53.800 52.037 0.008 0.000 0.628 1030 A CB -0.483 18.518 19.000 0.001 0.000 0.814 1030 A HN 0.270 nan 8.150 nan 0.000 0.444 1031 D N -0.241 120.191 120.400 0.054 0.000 2.084 1031 D HA -0.208 4.433 4.640 0.002 0.000 0.196 1031 D C 1.951 178.352 176.300 0.168 0.000 0.985 1031 D CA 1.609 55.673 54.000 0.106 0.000 0.826 1031 D CB -0.365 40.499 40.800 0.107 0.000 0.978 1031 D HN 0.607 nan 8.370 nan 0.000 0.456 1032 E N -0.220 120.080 120.200 0.167 0.000 2.097 1032 E HA -0.224 4.127 4.350 0.002 0.000 0.196 1032 E C 1.883 178.579 176.600 0.159 0.000 1.000 1032 E CA 1.425 57.951 56.400 0.210 0.000 0.804 1032 E CB -0.249 29.535 29.700 0.141 0.000 0.740 1032 E HN 0.282 nan 8.360 nan 0.000 0.454 1033 A N 0.552 123.418 122.820 0.077 0.000 2.014 1033 A HA -0.124 4.197 4.320 0.002 0.000 0.218 1033 A C 2.110 179.688 177.584 -0.010 0.000 1.163 1033 A CA 1.007 53.056 52.037 0.020 0.000 0.652 1033 A CB -0.258 18.731 19.000 -0.018 0.000 0.808 1033 A HN 0.316 nan 8.150 nan 0.000 0.449 1034 Q N -1.690 118.120 119.800 0.017 0.000 2.245 1034 Q HA -0.085 4.256 4.340 0.002 0.000 0.201 1034 Q C 1.756 177.742 176.000 -0.023 0.000 0.955 1034 Q CA 1.051 56.848 55.803 -0.010 0.000 0.870 1034 Q CB -0.132 28.615 28.738 0.014 0.000 0.945 1034 Q HN 0.716 nan 8.270 nan 0.000 0.461 1035 F N 0.468 120.312 119.950 -0.177 0.000 2.084 1035 F HA -0.185 4.343 4.527 0.002 0.000 0.296 1035 F C 1.985 177.627 175.800 -0.263 0.000 1.111 1035 F CA 1.104 58.895 58.000 -0.348 0.000 1.224 1035 F CB -0.626 37.942 39.000 -0.720 0.000 0.991 1035 F HN -0.200 nan 8.300 nan 0.000 0.471 1036 V N 1.015 120.721 119.914 -0.347 0.000 2.233 1036 V HA -0.329 3.792 4.120 0.002 0.000 0.247 1036 V C 2.845 178.726 176.094 -0.356 0.000 1.050 1036 V CA 2.179 64.241 62.300 -0.398 0.000 1.010 1036 V CB -1.589 30.153 31.823 -0.134 0.000 0.637 1036 V HN 0.523 nan 8.190 nan 0.000 0.444 1037 A N 0.189 122.866 122.820 -0.238 0.000 1.958 1037 A HA -0.199 4.122 4.320 0.002 0.000 0.221 1037 A C 2.335 179.780 177.584 -0.233 0.000 1.178 1037 A CA 2.195 54.100 52.037 -0.219 0.000 0.642 1037 A CB -1.215 17.689 19.000 -0.161 0.000 0.816 1037 A HN 0.609 nan 8.150 nan 0.000 0.453 1038 G N -1.326 107.327 108.800 -0.244 0.000 2.448 1038 G HA2 -0.133 3.828 3.960 0.002 0.000 0.218 1038 G HA3 -0.133 3.828 3.960 0.002 0.000 0.218 1038 G C 1.734 176.478 174.900 -0.260 0.000 1.135 1038 G CA 0.627 45.598 45.100 -0.214 0.000 0.784 1038 G HN 0.529 nan 8.290 nan 0.000 0.543 1039 R N -0.445 119.822 120.500 -0.388 0.000 2.100 1039 R HA 0.206 4.547 4.340 0.002 0.000 0.220 1039 R C 2.438 178.523 176.300 -0.358 0.000 1.091 1039 R CA 0.288 56.172 56.100 -0.360 0.000 0.986 1039 R CB -0.303 29.710 30.300 -0.477 0.000 0.888 1039 R HN 0.350 nan 8.270 nan 0.000 0.444 1040 I N 0.974 121.233 120.570 -0.519 0.000 2.090 1040 I HA -0.283 3.888 4.170 0.002 0.000 0.236 1040 I C 2.430 178.343 176.117 -0.340 0.000 1.064 1040 I CA 1.354 62.157 61.300 -0.827 0.000 1.324 1040 I CB -0.156 37.396 38.000 -0.746 0.000 1.044 1040 I HN -0.005 nan 8.210 nan 0.000 0.399 1041 R N 1.052 121.470 120.500 -0.138 0.000 2.377 1041 R HA -0.164 4.177 4.340 0.002 0.000 0.207 1041 R C 1.631 177.924 176.300 -0.012 0.000 1.075 1041 R CA 1.432 57.565 56.100 0.054 0.000 1.035 1041 R CB -0.405 29.895 30.300 0.000 0.000 0.857 1041 R HN 0.552 nan 8.270 nan 0.000 0.475 1042 E N -0.911 119.241 120.200 -0.080 0.000 2.207 1042 E HA 0.088 4.439 4.350 0.002 0.000 0.197 1042 E C 1.554 178.131 176.600 -0.039 0.000 0.914 1042 E CA 0.510 56.875 56.400 -0.059 0.000 0.914 1042 E CB -0.183 29.472 29.700 -0.076 0.000 0.893 1042 E HN 0.329 nan 8.360 nan 0.000 0.479 1043 A N 0.882 123.688 122.820 -0.024 0.000 2.178 1043 A HA -0.060 4.261 4.320 0.002 0.000 0.218 1043 A C 2.045 179.644 177.584 0.025 0.000 1.157 1043 A CA 1.012 53.077 52.037 0.047 0.000 0.689 1043 A CB -0.238 18.874 19.000 0.188 0.000 0.787 1043 A HN 0.219 nan 8.150 nan 0.000 0.465 1044 V N 0.479 120.365 119.914 -0.046 0.000 2.436 1044 V HA -0.123 3.998 4.120 0.002 0.000 0.240 1044 V C 1.848 177.863 176.094 -0.132 0.000 1.040 1044 V CA 1.397 63.599 62.300 -0.164 0.000 1.052 1044 V CB -0.577 30.953 31.823 -0.490 0.000 0.707 1044 V HN 0.863 nan 8.190 nan 0.000 0.469 1045 E N 1.234 121.381 120.200 -0.088 0.000 2.441 1045 E HA -0.046 4.305 4.350 0.002 0.000 0.210 1045 E C 1.363 177.941 176.600 -0.037 0.000 1.306 1045 E CA 0.307 56.675 56.400 -0.053 0.000 1.307 1045 E CB -0.159 29.528 29.700 -0.022 0.000 1.297 1045 E HN 0.520 nan 8.360 nan 0.000 0.440 1046 R N -1.095 119.382 120.500 -0.039 0.000 2.495 1046 R HA 0.132 4.473 4.340 0.002 0.000 0.299 1046 R C 0.889 177.176 176.300 -0.022 0.000 0.902 1046 R CA 0.648 56.734 56.100 -0.023 0.000 1.103 1046 R CB 0.791 31.083 30.300 -0.014 0.000 1.750 1046 R HN 0.350 nan 8.270 nan 0.000 0.480 1047 G N 1.076 109.856 108.800 -0.032 0.000 2.953 1047 G HA2 -0.324 3.637 3.960 0.002 0.000 0.201 1047 G HA3 -0.324 3.637 3.960 0.002 0.000 0.201 1047 G C 0.593 175.481 174.900 -0.021 0.000 1.501 1047 G CA 0.192 45.275 45.100 -0.029 0.000 1.094 1047 G HN 0.323 nan 8.290 nan 0.000 0.555 1048 E N 0.816 121.014 120.200 -0.004 0.000 2.351 1048 E HA -0.296 4.055 4.350 0.002 0.000 0.249 1048 E C 1.242 177.843 176.600 0.003 0.000 1.062 1048 E CA 2.215 58.619 56.400 0.007 0.000 1.066 1048 E CB -0.281 29.438 29.700 0.033 0.000 0.955 1048 E HN 0.683 nan 8.360 nan 0.000 0.504 1049 R N 0.433 120.955 120.500 0.037 0.000 2.912 1049 R HA 0.588 4.929 4.340 0.002 0.000 0.262 1049 R C -0.172 176.153 176.300 0.041 0.000 1.057 1049 R CA -0.768 55.346 56.100 0.023 0.000 0.981 1049 R CB 0.834 31.111 30.300 -0.038 0.000 1.201 1049 R HN -0.014 nan 8.270 nan 0.000 0.484 1050 R N -0.576 119.937 120.500 0.022 0.000 2.541 1050 R HA 0.296 4.637 4.340 0.002 0.000 0.254 1050 R C 0.567 176.981 176.300 0.190 0.000 1.130 1050 R CA -0.438 55.663 56.100 0.003 0.000 1.152 1050 R CB 0.323 30.629 30.300 0.010 0.000 1.222 1050 R HN 0.445 nan 8.270 nan 0.000 0.579 1051 Y N 0.774 121.184 120.300 0.182 0.000 2.395 1051 Y HA -0.051 4.500 4.550 0.002 0.000 0.293 1051 Y C 2.050 178.086 175.900 0.225 0.000 1.123 1051 Y CA 1.163 59.398 58.100 0.225 0.000 1.227 1051 Y CB -0.164 38.364 38.460 0.113 0.000 1.012 1051 Y HN 0.503 nan 8.280 nan 0.000 0.552 1052 R N -0.665 120.001 120.500 0.276 0.000 2.316 1052 R HA -0.025 4.316 4.340 0.002 0.000 0.202 1052 R C 0.147 176.496 176.300 0.081 0.000 1.029 1052 R CA 1.246 57.438 56.100 0.153 0.000 1.018 1052 R CB -0.245 30.108 30.300 0.088 0.000 0.888 1052 R HN 0.056 nan 8.270 nan 0.000 0.471 1053 D N 0.055 120.484 120.400 0.050 0.000 2.325 1053 D HA 0.142 4.783 4.640 0.002 0.000 0.225 1053 D C -0.856 175.147 176.300 -0.495 0.000 1.096 1053 D CA 0.330 54.200 54.000 -0.217 0.000 0.844 1053 D CB 0.111 40.705 40.800 -0.343 0.000 0.925 1053 D HN 0.094 nan 8.370 nan 0.000 0.513 1054 F N 0.426 120.410 119.950 0.057 0.000 2.546 1054 F HA 0.629 5.157 4.527 0.002 0.000 0.320 1054 F C -0.062 175.758 175.800 0.033 0.000 1.076 1054 F CA -1.255 56.771 58.000 0.043 0.000 0.928 1054 F CB 1.950 40.986 39.000 0.060 0.000 1.189 1054 F HN -0.289 nan 8.300 nan 0.000 0.465 1055 A N 2.237 125.164 122.820 0.178 0.000 2.385 1055 A HA 0.697 5.018 4.320 0.002 0.000 0.290 1055 A C -1.732 175.900 177.584 0.080 0.000 1.094 1055 A CA -0.596 51.499 52.037 0.097 0.000 0.729 1055 A CB 0.997 20.017 19.000 0.033 0.000 1.194 1055 A HN 0.499 nan 8.150 nan 0.000 0.442 1056 V N 4.749 124.700 119.914 0.063 0.000 2.318 1056 V HA 0.342 4.463 4.120 0.002 0.000 0.271 1056 V C -0.164 175.878 176.094 -0.086 0.000 1.030 1056 V CA -0.067 62.261 62.300 0.046 0.000 0.844 1056 V CB 0.645 32.525 31.823 0.095 0.000 1.015 1056 V HN 0.738 nan 8.190 nan 0.000 0.460 1057 L N 6.501 127.657 121.223 -0.113 0.000 2.331 1057 L HA 0.713 5.054 4.340 0.002 0.000 0.275 1057 L C -0.672 176.069 176.870 -0.216 0.000 1.022 1057 L CA -0.801 53.856 54.840 -0.304 0.000 0.812 1057 L CB 1.451 43.411 42.059 -0.164 0.000 1.257 1057 L HN 0.659 nan 8.230 nan 0.000 0.435 1058 Y N -0.548 119.772 120.300 0.033 0.000 2.609 1058 Y HA 0.581 5.132 4.550 0.002 0.000 0.342 1058 Y C 0.414 176.323 175.900 0.016 0.000 1.058 1058 Y CA -1.585 56.530 58.100 0.025 0.000 1.055 1058 Y CB 0.858 39.330 38.460 0.021 0.000 1.292 1058 Y HN 0.337 nan 8.280 nan 0.000 0.476 1059 R N 0.022 120.644 120.500 0.204 0.000 2.236 1059 R HA 0.226 4.567 4.340 0.002 0.000 0.208 1059 R C -0.585 175.789 176.300 0.122 0.000 1.036 1059 R CA 0.987 57.152 56.100 0.109 0.000 1.001 1059 R CB -0.220 30.114 30.300 0.057 0.000 0.896 1059 R HN 0.843 nan 8.270 nan 0.000 0.464 1060 T N -0.793 113.881 114.554 0.199 0.000 2.993 1060 T HA 0.225 4.576 4.350 0.002 0.000 0.312 1060 T C -0.033 174.741 174.700 0.123 0.000 1.115 1060 T CA -0.659 61.515 62.100 0.123 0.000 1.027 1060 T CB 1.509 70.390 68.868 0.021 0.000 1.116 1060 T HN 0.175 nan 8.240 nan 0.000 0.464 1061 N N 1.642 120.418 118.700 0.125 0.000 2.258 1061 N HA -0.149 4.592 4.740 0.002 0.000 0.187 1061 N C 1.825 177.262 175.510 -0.122 0.000 1.012 1061 N CA 1.121 54.218 53.050 0.078 0.000 0.870 1061 N CB 0.064 38.611 38.487 0.099 0.000 0.977 1061 N HN 0.641 nan 8.380 nan 0.000 0.434 1062 A N 0.325 123.086 122.820 -0.098 0.000 2.239 1062 A HA -0.063 4.258 4.320 0.002 0.000 0.209 1062 A C 1.699 179.167 177.584 -0.194 0.000 1.171 1062 A CA 0.744 52.710 52.037 -0.118 0.000 0.768 1062 A CB -0.029 18.931 19.000 -0.068 0.000 0.790 1062 A HN 0.321 nan 8.150 nan 0.000 0.478 1063 Q N -0.465 119.134 119.800 -0.334 0.000 2.319 1063 Q HA 0.004 4.345 4.340 0.002 0.000 0.202 1063 Q C 1.843 177.480 176.000 -0.604 0.000 0.896 1063 Q CA 0.699 56.273 55.803 -0.382 0.000 0.942 1063 Q CB 0.238 28.824 28.738 -0.254 0.000 1.083 1063 Q HN 0.790 nan 8.270 nan 0.000 0.510 1064 S N -0.262 114.963 115.700 -0.792 0.000 2.478 1064 S HA -0.057 4.414 4.470 0.002 0.000 0.222 1064 S C 1.760 176.201 174.600 -0.264 0.000 1.008 1064 S CA 0.064 57.899 58.200 -0.609 0.000 0.928 1064 S CB 0.077 62.990 63.200 -0.477 0.000 0.781 1064 S HN 0.254 nan 8.310 nan 0.000 0.518 1065 R N 1.676 122.051 120.500 -0.207 0.000 2.097 1065 R HA -0.074 4.267 4.340 0.002 0.000 0.236 1065 R C 1.803 178.030 176.300 -0.121 0.000 1.135 1065 R CA 2.166 58.193 56.100 -0.123 0.000 0.934 1065 R CB -1.047 29.197 30.300 -0.093 0.000 0.846 1065 R HN 0.303 nan 8.270 nan 0.000 0.431 1066 V N 0.881 120.724 119.914 -0.118 0.000 2.828 1066 V HA -0.209 3.912 4.120 0.002 0.000 0.260 1066 V C 2.197 178.226 176.094 -0.108 0.000 1.101 1066 V CA 1.685 63.929 62.300 -0.093 0.000 1.123 1066 V CB -0.472 31.308 31.823 -0.071 0.000 0.704 1066 V HN 0.430 nan 8.190 nan 0.000 0.493 1067 M N -0.149 119.366 119.600 -0.142 0.000 2.394 1067 M HA 0.021 4.502 4.480 0.002 0.000 0.266 1067 M C 1.937 178.075 176.300 -0.270 0.000 1.098 1067 M CA 1.495 56.703 55.300 -0.154 0.000 1.149 1067 M CB -0.316 32.225 32.600 -0.097 0.000 1.369 1067 M HN 0.346 nan 8.290 nan 0.000 0.450 1068 E N -0.751 119.263 120.200 -0.310 0.000 2.158 1068 E HA -0.175 4.176 4.350 0.002 0.000 0.191 1068 E C 1.809 178.244 176.600 -0.274 0.000 0.982 1068 E CA 0.944 57.052 56.400 -0.487 0.000 0.823 1068 E CB -0.119 29.419 29.700 -0.271 0.000 0.766 1068 E HN 0.616 nan 8.360 nan 0.000 0.468 1069 E N 0.376 120.480 120.200 -0.160 0.000 2.047 1069 E HA -0.160 4.191 4.350 0.002 0.000 0.191 1069 E C 1.967 178.506 176.600 -0.102 0.000 0.987 1069 E CA 0.938 57.280 56.400 -0.097 0.000 0.799 1069 E CB 0.209 29.867 29.700 -0.071 0.000 0.752 1069 E HN 0.115 nan 8.360 nan 0.000 0.449 1070 M N -0.004 119.524 119.600 -0.120 0.000 2.236 1070 M HA -0.074 4.407 4.480 0.002 0.000 0.266 1070 M C 2.184 178.401 176.300 -0.138 0.000 1.070 1070 M CA 0.714 55.950 55.300 -0.107 0.000 1.137 1070 M CB -0.722 31.822 32.600 -0.093 0.000 1.378 1070 M HN 0.191 nan 8.290 nan 0.000 0.426 1071 L N 0.264 121.361 121.223 -0.210 0.000 2.201 1071 L HA -0.064 4.277 4.340 0.002 0.000 0.212 1071 L C 2.227 178.999 176.870 -0.163 0.000 1.105 1071 L CA 1.302 55.998 54.840 -0.241 0.000 0.775 1071 L CB -1.101 40.712 42.059 -0.410 0.000 0.913 1071 L HN 0.209 nan 8.230 nan 0.000 0.440 1072 L N -0.986 120.157 121.223 -0.133 0.000 2.044 1072 L HA -0.214 4.127 4.340 0.002 0.000 0.205 1072 L C 2.455 179.307 176.870 -0.031 0.000 1.075 1072 L CA 1.267 56.090 54.840 -0.028 0.000 0.747 1072 L CB -0.195 41.863 42.059 -0.001 0.000 0.903 1072 L HN 0.141 nan 8.230 nan 0.000 0.435 1073 K N -0.500 119.873 120.400 -0.046 0.000 2.211 1073 K HA -0.151 4.169 4.320 0.002 0.000 0.204 1073 K C 1.733 178.311 176.600 -0.037 0.000 1.047 1073 K CA 1.263 57.529 56.287 -0.035 0.000 0.935 1073 K CB -0.179 32.298 32.500 -0.037 0.000 0.728 1073 K HN 0.389 nan 8.250 nan 0.000 0.452 1074 A N 0.793 123.579 122.820 -0.057 0.000 2.218 1074 A HA -0.005 4.316 4.320 0.002 0.000 0.209 1074 A C 0.373 177.930 177.584 -0.045 0.000 1.168 1074 A CA 0.172 52.176 52.037 -0.055 0.000 0.804 1074 A CB -0.153 18.797 19.000 -0.083 0.000 0.834 1074 A HN 0.454 nan 8.150 nan 0.000 0.482 1075 N N -1.619 117.056 118.700 -0.043 0.000 2.758 1075 N HA -0.142 4.599 4.740 0.002 0.000 0.248 1075 N C -1.037 174.426 175.510 -0.079 0.000 1.076 1075 N CA 0.489 53.522 53.050 -0.028 0.000 0.696 1075 N CB -1.715 36.772 38.487 0.001 0.000 0.979 1075 N HN 0.397 nan 8.380 nan 0.000 0.550 1076 I N 1.597 122.073 120.570 -0.157 0.000 2.304 1076 I HA 0.306 4.477 4.170 0.002 0.000 0.291 1076 I C -1.707 174.275 176.117 -0.226 0.000 1.018 1076 I CA -1.846 59.210 61.300 -0.407 0.000 1.260 1076 I CB 1.209 38.908 38.000 -0.502 0.000 1.390 1076 I HN 0.030 nan 8.210 nan 0.000 0.475 1077 P HA 0.084 nan 4.420 nan 0.000 0.271 1077 P C -1.448 175.827 177.300 -0.041 0.000 1.226 1077 P CA 0.101 63.146 63.100 -0.091 0.000 0.765 1077 P CB 0.178 31.846 31.700 -0.054 0.000 0.835 1078 Y N 0.258 120.497 120.300 -0.101 0.000 2.602 1078 Y HA 0.714 5.265 4.550 0.001 0.000 0.342 1078 Y C -0.761 175.135 175.900 -0.008 0.000 1.029 1078 Y CA -1.459 56.608 58.100 -0.055 0.000 1.080 1078 Y CB 1.573 40.002 38.460 -0.052 0.000 1.284 1078 Y HN 0.378 nan 8.280 nan 0.000 0.485 1079 Q N 2.307 122.114 119.800 0.011 0.000 2.331 1079 Q HA 0.561 4.902 4.340 0.002 0.000 0.272 1079 Q C -1.839 174.212 176.000 0.085 0.000 1.062 1079 Q CA -0.802 54.965 55.803 -0.060 0.000 0.806 1079 Q CB 2.662 31.383 28.738 -0.029 0.000 1.312 1079 Q HN 0.962 nan 8.270 nan 0.000 0.431 1080 I N 2.061 122.675 120.570 0.073 0.000 2.488 1080 I HA 0.296 4.467 4.170 0.002 0.000 0.299 1080 I C -0.320 175.850 176.117 0.088 0.000 0.984 1080 I CA -0.875 60.508 61.300 0.139 0.000 1.250 1080 I CB 1.925 40.026 38.000 0.169 0.000 1.389 1080 I HN 0.334 nan 8.210 nan 0.000 0.488 1081 V N 5.388 125.356 119.914 0.091 0.000 2.304 1081 V HA 0.461 4.582 4.120 0.002 0.000 0.269 1081 V C 0.815 176.955 176.094 0.077 0.000 1.036 1081 V CA 0.716 63.055 62.300 0.065 0.000 0.840 1081 V CB 0.203 32.054 31.823 0.047 0.000 1.036 1081 V HN 1.151 nan 8.190 nan 0.000 0.466 1082 G N 4.512 113.353 108.800 0.068 0.000 2.279 1082 G HA2 -0.227 3.734 3.960 0.002 0.000 0.223 1082 G HA3 -0.227 3.734 3.960 0.002 0.000 0.223 1082 G C 1.015 175.973 174.900 0.097 0.000 1.015 1082 G CA 0.397 45.545 45.100 0.080 0.000 0.621 1082 G HN 1.054 nan 8.290 nan 0.000 0.506 1083 G N 0.832 109.694 108.800 0.104 0.000 2.587 1083 G HA2 0.088 4.049 3.960 0.002 0.000 0.217 1083 G HA3 0.088 4.049 3.960 0.002 0.000 0.217 1083 G C 0.887 175.849 174.900 0.103 0.000 1.240 1083 G CA 1.081 46.246 45.100 0.109 0.000 0.794 1083 G HN 0.885 nan 8.290 nan 0.000 0.580 1084 L N 1.996 123.270 121.223 0.085 0.000 2.617 1084 L HA 0.187 4.528 4.340 0.002 0.000 0.282 1084 L C 0.251 177.182 176.870 0.101 0.000 1.174 1084 L CA 0.113 55.006 54.840 0.088 0.000 1.016 1084 L CB 0.276 42.374 42.059 0.065 0.000 1.337 1084 L HN -0.009 nan 8.230 nan 0.000 0.460 1085 K N 2.071 122.550 120.400 0.132 0.000 2.276 1085 K HA 0.051 4.372 4.320 0.002 0.000 0.283 1085 K C 0.942 177.633 176.600 0.153 0.000 1.044 1085 K CA -0.269 56.092 56.287 0.124 0.000 0.944 1085 K CB 0.855 33.525 32.500 0.284 0.000 1.012 1085 K HN 0.225 nan 8.250 nan 0.000 0.472 1086 F N 3.844 123.697 119.950 -0.161 0.000 2.026 1086 F HA -0.306 4.222 4.527 0.002 0.000 0.296 1086 F C 1.837 177.682 175.800 0.075 0.000 1.133 1086 F CA 1.861 59.816 58.000 -0.076 0.000 1.188 1086 F CB -0.539 38.378 39.000 -0.139 0.000 0.968 1086 F HN 0.640 nan 8.300 nan 0.000 0.476 1087 Y N -0.886 119.422 120.300 0.013 0.000 2.639 1087 Y HA 0.051 4.602 4.550 0.002 0.000 0.297 1087 Y C 1.446 177.307 175.900 -0.066 0.000 1.151 1087 Y CA 0.089 58.122 58.100 -0.111 0.000 1.335 1087 Y CB -2.315 36.144 38.460 -0.001 0.000 0.994 1087 Y HN 0.082 nan 8.280 nan 0.000 0.548 1088 D N 1.090 121.755 120.400 0.442 0.000 2.358 1088 D HA 0.003 4.643 4.640 0.002 0.000 0.241 1088 D C -0.030 176.325 176.300 0.091 0.000 1.094 1088 D CA 0.396 54.529 54.000 0.220 0.000 0.907 1088 D CB -0.100 40.836 40.800 0.226 0.000 0.893 1088 D HN 0.393 nan 8.370 nan 0.000 0.528 1089 R N 0.619 121.140 120.500 0.034 0.000 2.393 1089 R HA 0.198 4.539 4.340 0.002 0.000 0.310 1089 R C 1.424 177.694 176.300 -0.049 0.000 0.968 1089 R CA -0.610 55.481 56.100 -0.016 0.000 0.867 1089 R CB 2.025 32.292 30.300 -0.055 0.000 1.124 1089 R HN -0.200 nan 8.270 nan 0.000 0.450 1090 K N 2.802 123.192 120.400 -0.017 0.000 1.988 1090 K HA -0.270 4.051 4.320 0.002 0.000 0.221 1090 K C 1.364 177.932 176.600 -0.053 0.000 1.053 1090 K CA 2.289 58.567 56.287 -0.014 0.000 0.959 1090 K CB 0.126 32.645 32.500 0.032 0.000 0.728 1090 K HN 0.684 nan 8.250 nan 0.000 0.447 1091 E N 0.772 120.963 120.200 -0.014 0.000 2.114 1091 E HA -0.238 4.113 4.350 0.002 0.000 0.199 1091 E C 2.135 178.525 176.600 -0.350 0.000 1.008 1091 E CA 1.216 57.555 56.400 -0.102 0.000 0.810 1091 E CB -0.725 29.024 29.700 0.082 0.000 0.739 1091 E HN 0.302 nan 8.360 nan 0.000 0.456 1092 I N 1.888 122.273 120.570 -0.309 0.000 2.127 1092 I HA -0.231 3.940 4.170 0.002 0.000 0.241 1092 I C 2.439 178.365 176.117 -0.319 0.000 1.075 1092 I CA 1.433 62.482 61.300 -0.418 0.000 1.334 1092 I CB -0.455 37.238 38.000 -0.511 0.000 1.040 1092 I HN 0.020 nan 8.210 nan 0.000 0.405 1093 K N 0.042 120.323 120.400 -0.197 0.000 2.209 1093 K HA -0.180 4.141 4.320 0.002 0.000 0.204 1093 K C 1.654 178.141 176.600 -0.188 0.000 1.048 1093 K CA 1.243 57.446 56.287 -0.141 0.000 0.940 1093 K CB -0.254 32.187 32.500 -0.098 0.000 0.729 1093 K HN 0.365 nan 8.250 nan 0.000 0.451 1094 D N 1.171 121.416 120.400 -0.259 0.000 2.075 1094 D HA -0.149 4.492 4.640 0.002 0.000 0.196 1094 D C 1.826 177.937 176.300 -0.316 0.000 0.985 1094 D CA 0.733 54.549 54.000 -0.307 0.000 0.834 1094 D CB -0.342 40.204 40.800 -0.423 0.000 0.987 1094 D HN 0.046 nan 8.370 nan 0.000 0.452 1095 I N 0.868 121.131 120.570 -0.511 0.000 2.194 1095 I HA -0.227 3.944 4.170 0.002 0.000 0.246 1095 I C 2.147 178.155 176.117 -0.181 0.000 1.093 1095 I CA 1.241 62.312 61.300 -0.382 0.000 1.355 1095 I CB -0.451 37.111 38.000 -0.731 0.000 1.046 1095 I HN 0.010 nan 8.210 nan 0.000 0.413 1096 L N 0.291 121.383 121.223 -0.219 0.000 2.042 1096 L HA -0.209 4.132 4.340 0.002 0.000 0.210 1096 L C 2.622 179.474 176.870 -0.029 0.000 1.076 1096 L CA 1.511 56.333 54.840 -0.031 0.000 0.749 1096 L CB -0.736 41.324 42.059 0.000 0.000 0.893 1096 L HN 0.399 nan 8.230 nan 0.000 0.432 1097 A N -1.334 121.427 122.820 -0.098 0.000 1.972 1097 A HA -0.242 4.079 4.320 0.002 0.000 0.219 1097 A C 1.966 179.486 177.584 -0.107 0.000 1.169 1097 A CA 1.249 53.214 52.037 -0.120 0.000 0.635 1097 A CB -0.702 18.183 19.000 -0.191 0.000 0.810 1097 A HN 0.390 nan 8.150 nan 0.000 0.446 1098 Y N -0.390 119.873 120.300 -0.062 0.000 2.242 1098 Y HA -0.092 4.459 4.550 0.002 0.000 0.291 1098 Y C 2.043 177.918 175.900 -0.041 0.000 1.137 1098 Y CA 1.634 59.713 58.100 -0.035 0.000 1.181 1098 Y CB -0.245 38.125 38.460 -0.149 0.000 0.989 1098 Y HN 0.235 nan 8.280 nan 0.000 0.527 1099 L N -1.012 120.270 121.223 0.099 0.000 2.162 1099 L HA -0.068 4.273 4.340 0.002 0.000 0.205 1099 L C 2.284 179.177 176.870 0.038 0.000 1.086 1099 L CA 1.074 55.952 54.840 0.064 0.000 0.778 1099 L CB -0.488 41.626 42.059 0.091 0.000 0.928 1099 L HN -0.054 nan 8.230 nan 0.000 0.446 1100 R N -0.447 120.066 120.500 0.022 0.000 2.096 1100 R HA -0.109 4.232 4.340 0.002 0.000 0.235 1100 R C 2.113 178.397 176.300 -0.027 0.000 1.127 1100 R CA 1.383 57.479 56.100 -0.006 0.000 0.968 1100 R CB -0.580 29.711 30.300 -0.016 0.000 0.861 1100 R HN 0.208 nan 8.270 nan 0.000 0.440 1101 V N 1.006 120.907 119.914 -0.023 0.000 2.759 1101 V HA -0.156 3.965 4.120 0.002 0.000 0.256 1101 V C 2.078 178.098 176.094 -0.124 0.000 1.080 1101 V CA 1.363 63.619 62.300 -0.073 0.000 1.101 1101 V CB -0.415 31.398 31.823 -0.016 0.000 0.698 1101 V HN 0.289 nan 8.190 nan 0.000 0.477 1102 I N 0.405 120.957 120.570 -0.030 0.000 2.500 1102 I HA -0.064 4.107 4.170 0.002 0.000 0.252 1102 I C 2.433 178.523 176.117 -0.046 0.000 1.142 1102 I CA 1.271 62.562 61.300 -0.015 0.000 1.451 1102 I CB -0.268 37.772 38.000 0.065 0.000 1.093 1102 I HN 0.296 nan 8.210 nan 0.000 0.430 1103 A N -0.363 122.432 122.820 -0.042 0.000 2.115 1103 A HA 0.033 4.354 4.320 0.002 0.000 0.211 1103 A C 1.089 178.639 177.584 -0.056 0.000 1.169 1103 A CA 0.321 52.331 52.037 -0.045 0.000 0.787 1103 A CB -0.112 18.866 19.000 -0.036 0.000 0.858 1103 A HN 0.464 nan 8.150 nan 0.000 0.474 1104 N N -0.093 118.568 118.700 -0.065 0.000 2.725 1104 N HA 0.145 4.886 4.740 0.002 0.000 0.248 1104 N C -2.335 173.118 175.510 -0.095 0.000 1.402 1104 N CA -1.376 51.646 53.050 -0.046 0.000 0.766 1104 N CB 1.352 39.839 38.487 -0.001 0.000 1.223 1104 N HN -0.075 nan 8.380 nan 0.000 0.515 1105 P HA -0.165 nan 4.420 nan 0.000 0.217 1105 P C 0.330 177.556 177.300 -0.123 0.000 1.148 1105 P CA 1.184 64.069 63.100 -0.359 0.000 0.834 1105 P CB 0.346 31.741 31.700 -0.509 0.000 0.783 1106 D N -0.319 120.065 120.400 -0.028 0.000 2.378 1106 D HA -0.074 4.567 4.640 0.002 0.000 0.227 1106 D C 0.525 176.816 176.300 -0.015 0.000 1.012 1106 D CA 0.689 54.687 54.000 -0.003 0.000 0.905 1106 D CB -0.507 40.275 40.800 -0.029 0.000 0.895 1106 D HN 0.187 nan 8.370 nan 0.000 0.532 1107 D N 1.411 121.801 120.400 -0.016 0.000 2.441 1107 D HA -0.043 4.598 4.640 0.002 0.000 0.243 1107 D C 0.675 176.973 176.300 -0.003 0.000 1.257 1107 D CA -0.123 53.869 54.000 -0.013 0.000 1.027 1107 D CB 0.532 41.322 40.800 -0.017 0.000 1.084 1107 D HN -0.117 nan 8.370 nan 0.000 0.514 1108 D N 2.594 122.993 120.400 -0.001 0.000 2.078 1108 D HA -0.180 4.461 4.640 0.002 0.000 0.193 1108 D C 2.017 178.318 176.300 0.002 0.000 0.990 1108 D CA 0.492 54.501 54.000 0.016 0.000 0.827 1108 D CB -0.166 40.639 40.800 0.008 0.000 0.975 1108 D HN 0.333 nan 8.370 nan 0.000 0.451 1109 L N 0.932 122.143 121.223 -0.020 0.000 2.082 1109 L HA -0.314 4.027 4.340 0.002 0.000 0.223 1109 L C 2.209 179.057 176.870 -0.036 0.000 1.086 1109 L CA 1.915 56.736 54.840 -0.031 0.000 0.793 1109 L CB -0.682 41.350 42.059 -0.046 0.000 0.896 1109 L HN -0.051 nan 8.230 nan 0.000 0.441 1110 S N -1.200 114.478 115.700 -0.037 0.000 2.371 1110 S HA -0.099 4.372 4.470 0.002 0.000 0.224 1110 S C 1.843 176.418 174.600 -0.043 0.000 1.029 1110 S CA 1.188 59.356 58.200 -0.054 0.000 0.978 1110 S CB -0.433 62.736 63.200 -0.052 0.000 0.833 1110 S HN 0.557 nan 8.310 nan 0.000 0.466 1111 L N 0.873 122.105 121.223 0.016 0.000 2.141 1111 L HA 0.033 4.374 4.340 0.002 0.000 0.209 1111 L C 1.874 178.774 176.870 0.050 0.000 1.094 1111 L CA 1.099 55.995 54.840 0.093 0.000 0.763 1111 L CB -0.115 42.048 42.059 0.173 0.000 0.908 1111 L HN 0.220 nan 8.230 nan 0.000 0.437 1112 L N -0.270 120.962 121.223 0.015 0.000 2.552 1112 L HA -0.030 4.311 4.340 0.002 0.000 0.227 1112 L C 2.370 179.212 176.870 -0.048 0.000 1.146 1112 L CA 1.119 55.955 54.840 -0.008 0.000 0.858 1112 L CB -0.634 41.425 42.059 0.002 0.000 0.969 1112 L HN 0.244 nan 8.230 nan 0.000 0.451 1113 R N -0.148 120.310 120.500 -0.070 0.000 2.062 1113 R HA 0.006 4.347 4.340 0.002 0.000 0.218 1113 R C 1.851 178.067 176.300 -0.140 0.000 1.161 1113 R CA 1.374 57.417 56.100 -0.094 0.000 0.994 1113 R CB -0.090 30.151 30.300 -0.099 0.000 0.888 1113 R HN 0.359 nan 8.270 nan 0.000 0.442 1114 I N 0.212 120.644 120.570 -0.230 0.000 3.684 1114 I HA 0.094 4.265 4.170 0.002 0.000 0.304 1114 I C 1.702 177.595 176.117 -0.372 0.000 1.278 1114 I CA 0.222 61.308 61.300 -0.357 0.000 1.272 1114 I CB -0.387 37.048 38.000 -0.942 0.000 1.029 1114 I HN 0.178 nan 8.210 nan 0.000 0.458 1115 I N 1.956 122.325 120.570 -0.335 0.000 2.185 1115 I HA -0.286 3.885 4.170 0.002 0.000 0.246 1115 I C 1.479 177.266 176.117 -0.549 0.000 1.088 1115 I CA 1.795 62.764 61.300 -0.551 0.000 1.347 1115 I CB -0.299 37.567 38.000 -0.223 0.000 1.041 1115 I HN 0.582 nan 8.210 nan 0.000 0.415 1116 N N -0.667 117.870 118.700 -0.271 0.000 2.451 1116 N HA 0.087 4.828 4.740 0.002 0.000 0.271 1116 N C 0.993 176.457 175.510 -0.076 0.000 1.410 1116 N CA 0.006 52.957 53.050 -0.164 0.000 0.884 1116 N CB 0.508 38.929 38.487 -0.110 0.000 1.332 1116 N HN 0.198 nan 8.380 nan 0.000 0.498 1117 V N 1.573 121.457 119.914 -0.049 0.000 2.238 1117 V HA -0.026 4.095 4.120 0.002 0.000 0.235 1117 V C -1.665 174.484 176.094 0.090 0.000 1.037 1117 V CA 1.439 63.776 62.300 0.063 0.000 0.991 1117 V CB -0.819 31.101 31.823 0.162 0.000 0.638 1117 V HN 0.311 nan 8.190 nan 0.000 0.457 1118 P HA 0.094 nan 4.420 nan 0.000 0.274 1118 P C -0.572 176.752 177.300 0.040 0.000 1.291 1118 P CA -0.245 62.900 63.100 0.074 0.000 0.815 1118 P CB -0.021 31.750 31.700 0.118 0.000 0.897 1119 K N 3.545 123.948 120.400 0.005 0.000 2.558 1119 K HA -0.186 4.135 4.320 0.002 0.000 0.269 1119 K C 0.720 177.319 176.600 -0.002 0.000 0.999 1119 K CA 1.131 57.413 56.287 -0.007 0.000 1.103 1119 K CB 0.252 32.746 32.500 -0.011 0.000 0.800 1119 K HN 0.509 nan 8.250 nan 0.000 0.475 1120 R N 0.486 120.975 120.500 -0.018 0.000 2.549 1120 R HA 0.104 4.445 4.340 0.002 0.000 0.399 1120 R C 0.861 177.155 176.300 -0.010 0.000 0.964 1120 R CA 0.384 56.479 56.100 -0.008 0.000 1.173 1120 R CB 0.830 31.114 30.300 -0.028 0.000 1.535 1120 R HN 0.971 nan 8.270 nan 0.000 0.551 1121 G N 1.567 110.359 108.800 -0.015 0.000 2.179 1121 G HA2 -0.279 3.682 3.960 0.002 0.000 0.260 1121 G HA3 -0.279 3.682 3.960 0.002 0.000 0.260 1121 G C 0.087 174.977 174.900 -0.017 0.000 0.977 1121 G CA 0.013 45.106 45.100 -0.012 0.000 0.641 1121 G HN 0.209 nan 8.290 nan 0.000 0.533 1122 I N 1.856 122.408 120.570 -0.030 0.000 2.297 1122 I HA 0.610 4.781 4.170 0.002 0.000 0.291 1122 I C 1.058 177.154 176.117 -0.035 0.000 1.033 1122 I CA 0.367 61.647 61.300 -0.034 0.000 1.253 1122 I CB 1.223 39.190 38.000 -0.055 0.000 1.396 1122 I HN 0.215 nan 8.210 nan 0.000 0.476 1123 G N 3.124 111.910 108.800 -0.022 0.000 3.211 1123 G HA2 0.586 4.547 3.960 0.002 0.000 0.262 1123 G HA3 0.586 4.547 3.960 0.002 0.000 0.262 1123 G C 0.777 175.670 174.900 -0.012 0.000 1.352 1123 G CA -0.109 44.980 45.100 -0.019 0.000 1.004 1123 G HN 0.614 nan 8.290 nan 0.000 0.559 1124 A N -0.137 122.678 122.820 -0.009 0.000 1.886 1124 A HA -0.255 4.066 4.320 0.002 0.000 0.240 1124 A C 2.597 180.181 177.584 0.000 0.000 1.875 1124 A CA 3.404 55.438 52.037 -0.004 0.000 0.760 1124 A CB -1.366 17.633 19.000 -0.002 0.000 0.849 1124 A HN 0.748 nan 8.150 nan 0.000 0.505 1125 S N -2.048 113.652 115.700 -0.000 0.000 2.341 1125 S HA -0.043 4.428 4.470 0.002 0.000 0.204 1125 S C 2.015 176.617 174.600 0.003 0.000 1.038 1125 S CA 1.479 59.681 58.200 0.003 0.000 1.013 1125 S CB -0.812 62.389 63.200 0.002 0.000 0.994 1125 S HN 0.719 nan 8.310 nan 0.000 0.430 1126 T N 2.684 117.237 114.554 -0.002 0.000 2.780 1126 T HA -0.274 4.077 4.350 0.002 0.000 0.255 1126 T C 1.575 176.275 174.700 0.000 0.000 1.065 1126 T CA 2.048 64.145 62.100 -0.005 0.000 1.155 1126 T CB -0.759 68.103 68.868 -0.010 0.000 0.837 1126 T HN 0.266 nan 8.240 nan 0.000 0.479 1127 I N 0.409 120.980 120.570 0.001 0.000 2.113 1127 I HA -0.172 3.999 4.170 0.002 0.000 0.238 1127 I C 2.657 178.789 176.117 0.024 0.000 1.070 1127 I CA 1.679 62.984 61.300 0.009 0.000 1.332 1127 I CB -0.318 37.682 38.000 -0.000 0.000 1.044 1127 I HN 0.277 nan 8.210 nan 0.000 0.402 1128 D N 0.725 121.138 120.400 0.021 0.000 2.149 1128 D HA -0.223 4.418 4.640 0.002 0.000 0.198 1128 D C 2.110 178.436 176.300 0.043 0.000 0.990 1128 D CA 1.179 55.197 54.000 0.029 0.000 0.839 1128 D CB 0.064 40.877 40.800 0.020 0.000 0.948 1128 D HN 0.071 nan 8.370 nan 0.000 0.460 1129 K N 0.643 121.064 120.400 0.035 0.000 2.057 1129 K HA -0.145 4.175 4.320 0.002 0.000 0.207 1129 K C 2.244 178.891 176.600 0.078 0.000 1.049 1129 K CA 0.319 56.634 56.287 0.045 0.000 0.931 1129 K CB -0.665 31.844 32.500 0.015 0.000 0.714 1129 K HN 0.213 nan 8.250 nan 0.000 0.440 1130 L N 0.626 121.883 121.223 0.057 0.000 2.083 1130 L HA -0.113 4.228 4.340 0.002 0.000 0.209 1130 L C 2.044 179.011 176.870 0.161 0.000 1.083 1130 L CA 1.367 56.257 54.840 0.084 0.000 0.752 1130 L CB -0.330 41.759 42.059 0.051 0.000 0.899 1130 L HN -0.136 nan 8.230 nan 0.000 0.433 1131 V N -0.490 119.491 119.914 0.111 0.000 2.591 1131 V HA -0.124 3.997 4.120 0.002 0.000 0.249 1131 V C 2.692 178.841 176.094 0.092 0.000 1.053 1131 V CA 1.559 63.918 62.300 0.097 0.000 1.068 1131 V CB -0.518 31.340 31.823 0.059 0.000 0.689 1131 V HN 0.485 nan 8.190 nan 0.000 0.462 1132 R N -0.944 119.614 120.500 0.095 0.000 2.115 1132 R HA -0.163 4.178 4.340 0.002 0.000 0.226 1132 R C 2.267 178.617 176.300 0.082 0.000 1.100 1132 R CA 1.433 57.573 56.100 0.067 0.000 0.980 1132 R CB -0.285 30.050 30.300 0.059 0.000 0.875 1132 R HN 0.606 nan 8.270 nan 0.000 0.445 1133 Y N 0.130 120.446 120.300 0.026 0.000 2.373 1133 Y HA 0.066 4.616 4.550 0.001 0.000 0.293 1133 Y C 1.860 177.831 175.900 0.119 0.000 1.129 1133 Y CA 1.013 59.152 58.100 0.065 0.000 1.226 1133 Y CB -0.031 38.484 38.460 0.091 0.000 1.000 1133 Y HN 0.148 nan 8.280 nan 0.000 0.549 1134 A N -0.126 122.789 122.820 0.157 0.000 2.121 1134 A HA 0.153 4.474 4.320 0.002 0.000 0.218 1134 A C 1.949 179.531 177.584 -0.003 0.000 1.154 1134 A CA 1.311 53.401 52.037 0.089 0.000 0.679 1134 A CB -0.849 18.218 19.000 0.112 0.000 0.795 1134 A HN 0.527 nan 8.150 nan 0.000 0.458 1135 A N -1.817 120.980 122.820 -0.038 0.000 2.545 1135 A HA 0.273 4.594 4.320 0.002 0.000 0.263 1135 A C 0.706 178.212 177.584 -0.130 0.000 1.202 1135 A CA 0.134 52.135 52.037 -0.061 0.000 0.959 1135 A CB 0.253 19.232 19.000 -0.035 0.000 1.124 1135 A HN 0.209 nan 8.150 nan 0.000 0.543 1136 D N -0.378 119.876 120.400 -0.243 0.000 2.722 1136 D HA 0.209 4.850 4.640 0.002 0.000 0.239 1136 D C 0.208 175.992 176.300 -0.859 0.000 1.249 1136 D CA 0.165 53.915 54.000 -0.417 0.000 0.830 1136 D CB 0.122 40.700 40.800 -0.371 0.000 1.025 1136 D HN 0.549 nan 8.370 nan 0.000 0.486 1137 H N -0.228 118.712 119.070 -0.217 0.000 3.847 1137 H HA -0.009 4.548 4.556 0.002 0.000 0.111 1137 H C -0.089 175.161 175.328 -0.131 0.000 1.271 1137 H CA 0.068 55.997 56.048 -0.198 0.000 1.085 1137 H CB 1.132 30.710 29.762 -0.307 0.000 0.892 1137 H HN 0.138 nan 8.280 nan 0.000 0.181 1138 E N 0.786 121.000 120.200 0.024 0.000 3.284 1138 E HA 0.014 4.365 4.350 0.002 0.000 0.401 1138 E C -1.733 174.871 176.600 0.006 0.000 0.803 1138 E CA 0.053 56.451 56.400 -0.003 0.000 1.350 1138 E CB -1.538 28.156 29.700 -0.010 0.000 1.504 1138 E HN 0.192 nan 8.360 nan 0.000 0.386 1139 L N 0.253 121.483 121.223 0.012 0.000 2.375 1139 L HA 0.754 5.095 4.340 0.002 0.000 0.268 1139 L C 1.179 178.076 176.870 0.044 0.000 1.058 1139 L CA -0.399 54.455 54.840 0.023 0.000 0.803 1139 L CB 1.192 43.260 42.059 0.015 0.000 1.212 1139 L HN 0.245 nan 8.230 nan 0.000 0.451 1140 S N 0.313 116.049 115.700 0.059 0.000 2.606 1140 S HA 0.195 4.666 4.470 0.002 0.000 0.257 1140 S C 1.039 175.709 174.600 0.116 0.000 1.327 1140 S CA -0.454 57.792 58.200 0.076 0.000 0.984 1140 S CB 0.291 63.547 63.200 0.093 0.000 0.941 1140 S HN 0.668 nan 8.310 nan 0.000 0.576 1141 L N -0.249 121.052 121.223 0.130 0.000 2.275 1141 L HA 0.014 4.355 4.340 0.002 0.000 0.215 1141 L C 1.985 178.976 176.870 0.202 0.000 1.119 1141 L CA 1.194 56.126 54.840 0.153 0.000 0.790 1141 L CB -0.372 41.772 42.059 0.141 0.000 0.919 1141 L HN 0.826 nan 8.230 nan 0.000 0.443 1142 F N 0.029 120.016 119.950 0.062 0.000 2.664 1142 F HA -0.058 4.470 4.527 0.002 0.000 0.296 1142 F C 2.240 178.067 175.800 0.045 0.000 1.125 1142 F CA 0.722 58.754 58.000 0.054 0.000 1.444 1142 F CB 0.181 39.205 39.000 0.039 0.000 1.114 1142 F HN -0.012 nan 8.300 nan 0.000 0.576 1143 E N -0.064 120.200 120.200 0.107 0.000 2.299 1143 E HA 0.040 4.391 4.350 0.002 0.000 0.193 1143 E C 2.032 178.636 176.600 0.007 0.000 0.998 1143 E CA 0.658 57.076 56.400 0.030 0.000 0.851 1143 E CB 0.004 29.748 29.700 0.074 0.000 0.795 1143 E HN 0.446 nan 8.360 nan 0.000 0.492 1144 A N 0.780 123.638 122.820 0.062 0.000 2.243 1144 A HA -0.115 4.206 4.320 0.002 0.000 0.195 1144 A C 1.735 179.308 177.584 -0.019 0.000 1.405 1144 A CA 1.042 53.157 52.037 0.131 0.000 0.651 1144 A CB -1.094 18.015 19.000 0.181 0.000 1.010 1144 A HN 0.262 nan 8.150 nan 0.000 0.506 1145 L N -0.924 120.267 121.223 -0.053 0.000 2.403 1145 L HA -0.431 3.910 4.340 0.002 0.000 0.237 1145 L C 2.505 179.270 176.870 -0.175 0.000 1.138 1145 L CA 1.983 56.748 54.840 -0.124 0.000 0.841 1145 L CB -1.602 40.341 42.059 -0.194 0.000 0.979 1145 L HN 0.687 nan 8.230 nan 0.000 0.435 1146 G N -1.041 107.595 108.800 -0.274 0.000 2.517 1146 G HA2 -0.239 3.722 3.960 0.002 0.000 0.222 1146 G HA3 -0.239 3.722 3.960 0.002 0.000 0.222 1146 G C 0.799 175.624 174.900 -0.125 0.000 1.109 1146 G CA 1.092 46.056 45.100 -0.227 0.000 0.746 1146 G HN 0.570 nan 8.290 nan 0.000 0.576 1147 E N -0.043 120.104 120.200 -0.089 0.000 2.969 1147 E HA 0.276 4.627 4.350 0.002 0.000 0.213 1147 E C 0.124 176.667 176.600 -0.095 0.000 1.107 1147 E CA -0.504 55.865 56.400 -0.050 0.000 1.007 1147 E CB 0.813 30.529 29.700 0.026 0.000 1.326 1147 E HN 0.029 nan 8.360 nan 0.000 0.432 1148 L N 1.709 122.864 121.223 -0.114 0.000 2.592 1148 L HA 0.045 4.386 4.340 0.002 0.000 0.227 1148 L C 1.473 178.256 176.870 -0.146 0.000 1.127 1148 L CA 0.916 55.667 54.840 -0.147 0.000 0.884 1148 L CB -0.532 41.466 42.059 -0.103 0.000 1.065 1148 L HN 0.430 nan 8.230 nan 0.000 0.457 1149 E N 0.167 120.303 120.200 -0.105 0.000 2.755 1149 E HA -0.334 4.017 4.350 0.002 0.000 0.241 1149 E C 0.482 177.033 176.600 -0.081 0.000 0.977 1149 E CA 1.782 58.139 56.400 -0.071 0.000 1.398 1149 E CB -0.325 29.349 29.700 -0.043 0.000 1.343 1149 E HN 0.349 nan 8.360 nan 0.000 0.482 1150 M N -1.416 118.111 119.600 -0.121 0.000 2.597 1150 M HA 0.120 4.601 4.480 0.002 0.000 0.154 1150 M C -0.646 175.548 176.300 -0.177 0.000 0.900 1150 M CA -0.093 55.136 55.300 -0.120 0.000 0.720 1150 M CB 1.090 33.656 32.600 -0.056 0.000 2.813 1150 M HN -0.009 nan 8.290 nan 0.000 0.359 1151 I N 1.570 121.978 120.570 -0.270 0.000 3.564 1151 I HA 0.128 4.299 4.170 0.002 0.000 0.294 1151 I C 1.501 177.554 176.117 -0.107 0.000 1.289 1151 I CA 1.517 62.633 61.300 -0.308 0.000 1.325 1151 I CB -0.054 37.732 38.000 -0.357 0.000 1.039 1151 I HN 1.037 nan 8.210 nan 0.000 0.474 1152 G N 1.287 110.036 108.800 -0.086 0.000 3.922 1152 G HA2 -0.270 3.691 3.960 0.002 0.000 0.208 1152 G HA3 -0.270 3.691 3.960 0.002 0.000 0.208 1152 G C 0.549 175.423 174.900 -0.042 0.000 1.491 1152 G CA -0.098 44.977 45.100 -0.042 0.000 1.017 1152 G HN 0.400 nan 8.290 nan 0.000 0.603 1153 L N 0.629 121.827 121.223 -0.042 0.000 3.561 1153 L HA 0.258 4.599 4.340 0.002 0.000 0.450 1153 L C 1.536 178.387 176.870 -0.031 0.000 1.220 1153 L CA 0.993 55.813 54.840 -0.034 0.000 0.729 1153 L CB -1.066 40.970 42.059 -0.038 0.000 0.934 1153 L HN 2.287 nan 8.230 nan 0.000 0.801 1154 G N 2.795 111.582 108.800 -0.021 0.000 2.563 1154 G HA2 -0.077 3.884 3.960 0.002 0.000 0.995 1154 G HA3 -0.077 3.884 3.960 0.002 0.000 0.995 1154 G C 0.748 175.637 174.900 -0.018 0.000 1.295 1154 G CA 1.867 46.957 45.100 -0.017 0.000 0.855 1154 G HN 2.092 nan 8.290 nan 0.000 0.640 1155 A N -3.271 119.540 122.820 -0.015 0.000 1.781 1155 A HA 0.300 4.621 4.320 0.002 0.000 0.180 1155 A C 1.798 179.376 177.584 -0.010 0.000 1.996 1155 A CA 1.356 53.384 52.037 -0.014 0.000 1.576 1155 A CB -0.509 18.483 19.000 -0.012 0.000 1.609 1155 A HN 0.598 nan 8.150 nan 0.000 0.304 1156 K N 0.952 121.347 120.400 -0.008 0.000 2.155 1156 K HA 0.109 4.430 4.320 0.002 0.000 0.203 1156 K C 1.799 178.397 176.600 -0.003 0.000 1.052 1156 K CA 1.393 57.677 56.287 -0.004 0.000 0.948 1156 K CB -0.130 32.367 32.500 -0.004 0.000 0.728 1156 K HN 0.466 nan 8.250 nan 0.000 0.448 1157 A N 1.230 124.046 122.820 -0.006 0.000 1.903 1157 A HA 0.146 4.467 4.320 0.002 0.000 0.217 1157 A C 2.276 179.857 177.584 -0.005 0.000 1.387 1157 A CA 1.527 53.561 52.037 -0.006 0.000 0.604 1157 A CB -1.346 17.648 19.000 -0.011 0.000 1.043 1157 A HN 0.322 nan 8.150 nan 0.000 0.481 1158 A N -0.727 122.084 122.820 -0.015 0.000 1.913 1158 A HA -0.278 4.043 4.320 0.002 0.000 0.236 1158 A C 2.426 180.004 177.584 -0.010 0.000 1.760 1158 A CA 3.154 55.178 52.037 -0.021 0.000 0.740 1158 A CB -1.855 17.126 19.000 -0.032 0.000 0.847 1158 A HN 1.346 nan 8.150 nan 0.000 0.508 1159 G N -1.952 106.844 108.800 -0.007 0.000 2.509 1159 G HA2 0.136 4.097 3.960 0.002 0.000 0.218 1159 G HA3 0.136 4.097 3.960 0.002 0.000 0.218 1159 G C 1.526 176.435 174.900 0.015 0.000 1.124 1159 G CA 1.293 46.392 45.100 -0.001 0.000 0.776 1159 G HN 1.068 nan 8.290 nan 0.000 0.547 1160 A N 0.367 123.199 122.820 0.021 0.000 1.898 1160 A HA 0.261 4.582 4.320 0.002 0.000 0.214 1160 A C 2.322 179.952 177.584 0.077 0.000 1.183 1160 A CA 0.704 52.765 52.037 0.040 0.000 0.622 1160 A CB -0.274 18.740 19.000 0.025 0.000 0.824 1160 A HN 0.322 nan 8.150 nan 0.000 0.444 1161 L N -0.780 120.483 121.223 0.066 0.000 2.109 1161 L HA -0.103 4.238 4.340 0.002 0.000 0.207 1161 L C 2.992 179.922 176.870 0.100 0.000 1.086 1161 L CA 0.888 55.796 54.840 0.113 0.000 0.760 1161 L CB -0.391 41.707 42.059 0.064 0.000 0.910 1161 L HN 0.441 nan 8.230 nan 0.000 0.437 1162 A N -0.155 122.685 122.820 0.033 0.000 2.015 1162 A HA -0.104 4.217 4.320 0.002 0.000 0.219 1162 A C 2.443 180.025 177.584 -0.004 0.000 1.163 1162 A CA 1.503 53.535 52.037 -0.008 0.000 0.646 1162 A CB -0.423 18.562 19.000 -0.024 0.000 0.806 1162 A HN 0.412 nan 8.150 nan 0.000 0.448 1163 A N -1.041 121.801 122.820 0.037 0.000 1.897 1163 A HA 0.069 4.390 4.320 0.002 0.000 0.215 1163 A C 1.981 179.604 177.584 0.065 0.000 1.181 1163 A CA 1.426 53.486 52.037 0.037 0.000 0.620 1163 A CB -0.646 18.388 19.000 0.057 0.000 0.821 1163 A HN 0.690 nan 8.150 nan 0.000 0.443 1164 F N 1.116 121.063 119.950 -0.005 0.000 2.186 1164 F HA -0.085 4.443 4.527 0.002 0.000 0.299 1164 F C 2.287 178.098 175.800 0.020 0.000 1.090 1164 F CA 1.648 59.668 58.000 0.032 0.000 1.307 1164 F CB -0.209 38.840 39.000 0.083 0.000 1.019 1164 F HN 0.225 nan 8.300 nan 0.000 0.489 1165 R N 0.332 120.735 120.500 -0.163 0.000 2.120 1165 R HA -0.107 4.234 4.340 0.002 0.000 0.234 1165 R C 1.818 177.973 176.300 -0.241 0.000 1.123 1165 R CA 1.793 57.737 56.100 -0.260 0.000 0.975 1165 R CB -0.788 29.410 30.300 -0.171 0.000 0.866 1165 R HN 0.344 nan 8.270 nan 0.000 0.446 1166 S N 1.000 116.575 115.700 -0.208 0.000 2.362 1166 S HA -0.060 4.411 4.470 0.002 0.000 0.221 1166 S C 1.849 176.237 174.600 -0.352 0.000 1.032 1166 S CA 0.692 58.766 58.200 -0.209 0.000 0.973 1166 S CB -0.123 62.986 63.200 -0.152 0.000 0.849 1166 S HN 0.393 nan 8.310 nan 0.000 0.465 1167 Q N 0.741 120.265 119.800 -0.461 0.000 2.112 1167 Q HA -0.128 4.213 4.340 0.002 0.000 0.206 1167 Q C 2.073 177.323 176.000 -1.250 0.000 0.987 1167 Q CA 1.267 56.522 55.803 -0.913 0.000 0.858 1167 Q CB -0.364 27.922 28.738 -0.753 0.000 0.905 1167 Q HN 0.473 nan 8.270 nan 0.000 0.420 1168 L N 0.126 120.964 121.223 -0.641 0.000 1.976 1168 L HA -0.237 4.104 4.340 0.002 0.000 0.209 1168 L C 2.214 179.050 176.870 -0.057 0.000 1.071 1168 L CA 1.523 56.255 54.840 -0.181 0.000 0.746 1168 L CB -0.418 41.587 42.059 -0.090 0.000 0.890 1168 L HN 0.262 nan 8.230 nan 0.000 0.432 1169 E N -0.429 119.731 120.200 -0.067 0.000 2.118 1169 E HA -0.268 4.083 4.350 0.002 0.000 0.195 1169 E C 2.239 178.817 176.600 -0.037 0.000 0.992 1169 E CA 1.088 57.494 56.400 0.010 0.000 0.804 1169 E CB -0.075 29.626 29.700 0.002 0.000 0.741 1169 E HN 0.532 nan 8.360 nan 0.000 0.458 1170 Q N -0.506 119.180 119.800 -0.189 0.000 2.124 1170 Q HA -0.164 4.177 4.340 0.002 0.000 0.202 1170 Q C 1.866 177.868 176.000 0.003 0.000 0.977 1170 Q CA 1.057 56.763 55.803 -0.162 0.000 0.850 1170 Q CB -0.048 28.488 28.738 -0.335 0.000 0.901 1170 Q HN 0.459 nan 8.270 nan 0.000 0.429 1171 W N 0.259 121.574 121.300 0.026 0.000 2.453 1171 W HA 0.010 4.671 4.660 0.001 0.000 0.289 1171 W C 2.003 178.528 176.519 0.010 0.000 1.215 1171 W CA 0.765 58.121 57.345 0.019 0.000 1.297 1171 W CB -0.953 28.515 29.460 0.014 0.000 1.113 1171 W HN 0.069 nan 8.180 nan 0.000 0.551 1172 T N 0.669 115.353 114.554 0.217 0.000 3.077 1172 T HA -0.177 4.174 4.350 0.002 0.000 0.269 1172 T C 1.595 176.338 174.700 0.072 0.000 1.146 1172 T CA 1.339 63.503 62.100 0.107 0.000 1.091 1172 T CB -0.066 68.845 68.868 0.071 0.000 0.892 1172 T HN 0.289 nan 8.240 nan 0.000 0.533 1173 Q N -0.543 119.321 119.800 0.106 0.000 2.442 1173 Q HA 0.310 4.651 4.340 0.002 0.000 0.228 1173 Q C 2.177 178.238 176.000 0.102 0.000 0.902 1173 Q CA 0.024 55.890 55.803 0.105 0.000 0.933 1173 Q CB 0.100 28.946 28.738 0.179 0.000 1.071 1173 Q HN 0.396 nan 8.270 nan 0.000 0.562 1174 L N 1.460 122.789 121.223 0.176 0.000 2.127 1174 L HA -0.268 4.073 4.340 0.002 0.000 0.211 1174 L C 2.638 179.532 176.870 0.041 0.000 1.089 1174 L CA 1.498 56.451 54.840 0.189 0.000 0.757 1174 L CB -0.558 41.627 42.059 0.211 0.000 0.899 1174 L HN 0.391 nan 8.230 nan 0.000 0.434 1175 Q N 0.298 120.102 119.800 0.007 0.000 2.268 1175 Q HA -0.286 4.054 4.340 0.002 0.000 0.213 1175 Q C 1.621 177.535 176.000 -0.143 0.000 0.995 1175 Q CA 1.879 57.655 55.803 -0.045 0.000 0.901 1175 Q CB -0.004 28.715 28.738 -0.032 0.000 0.921 1175 Q HN 0.371 nan 8.270 nan 0.000 0.421 1176 E N -1.022 118.964 120.200 -0.356 0.000 2.476 1176 E HA 0.025 4.376 4.350 0.002 0.000 0.196 1176 E C -0.458 175.743 176.600 -0.664 0.000 1.029 1176 E CA 0.015 56.079 56.400 -0.560 0.000 0.896 1176 E CB 0.579 29.826 29.700 -0.754 0.000 1.012 1176 E HN 0.515 nan 8.360 nan 0.000 0.475 1177 Y N -1.877 118.444 120.300 0.035 0.000 2.830 1177 Y HA 0.290 4.841 4.550 0.002 0.000 0.255 1177 Y C -0.023 175.895 175.900 0.029 0.000 1.130 1177 Y CA -0.438 57.680 58.100 0.029 0.000 1.217 1177 Y CB 0.700 39.178 38.460 0.030 0.000 1.296 1177 Y HN -0.303 nan 8.280 nan 0.000 0.571 1178 V N -0.138 119.841 119.914 0.108 0.000 3.147 1178 V HA 0.532 4.653 4.120 0.002 0.000 0.306 1178 V C -0.334 175.783 176.094 0.038 0.000 1.209 1178 V CA -1.244 61.103 62.300 0.079 0.000 1.023 1178 V CB 2.383 34.257 31.823 0.085 0.000 1.059 1178 V HN 0.157 nan 8.190 nan 0.000 0.435 1179 S N 0.875 116.591 115.700 0.027 0.000 2.585 1179 S HA 0.393 4.864 4.470 0.002 0.000 0.277 1179 S C 1.007 175.604 174.600 -0.005 0.000 1.241 1179 S CA -0.279 57.931 58.200 0.017 0.000 1.041 1179 S CB 1.576 64.782 63.200 0.009 0.000 0.987 1179 S HN 0.599 nan 8.310 nan 0.000 0.512 1180 V N 3.284 123.198 119.914 0.000 0.000 2.428 1180 V HA -0.235 3.886 4.120 0.002 0.000 0.255 1180 V C 2.616 178.608 176.094 -0.171 0.000 1.080 1180 V CA 2.678 64.913 62.300 -0.109 0.000 1.083 1180 V CB -1.558 30.138 31.823 -0.212 0.000 0.665 1180 V HN 1.045 nan 8.190 nan 0.000 0.461 1181 T N -0.200 114.288 114.554 -0.110 0.000 2.770 1181 T HA -0.125 4.226 4.350 0.002 0.000 0.263 1181 T C 1.637 176.306 174.700 -0.053 0.000 1.039 1181 T CA 1.462 63.507 62.100 -0.092 0.000 1.142 1181 T CB -0.237 68.601 68.868 -0.050 0.000 0.868 1181 T HN 0.719 nan 8.240 nan 0.000 0.435 1182 E N 0.756 120.938 120.200 -0.029 0.000 2.409 1182 E HA -0.018 4.333 4.350 0.002 0.000 0.198 1182 E C 1.721 178.306 176.600 -0.026 0.000 1.024 1182 E CA 0.386 56.780 56.400 -0.011 0.000 0.861 1182 E CB -0.151 29.557 29.700 0.014 0.000 0.788 1182 E HN 0.287 nan 8.360 nan 0.000 0.521 1183 L N 0.276 121.464 121.223 -0.059 0.000 2.116 1183 L HA -0.081 4.260 4.340 0.002 0.000 0.200 1183 L C 2.284 179.043 176.870 -0.186 0.000 1.084 1183 L CA 0.869 55.643 54.840 -0.110 0.000 0.766 1183 L CB -0.296 41.703 42.059 -0.100 0.000 0.930 1183 L HN -0.083 nan 8.230 nan 0.000 0.453 1184 V N -0.209 119.621 119.914 -0.140 0.000 2.688 1184 V HA -0.252 3.869 4.120 0.002 0.000 0.256 1184 V C 2.499 178.530 176.094 -0.104 0.000 1.084 1184 V CA 1.479 63.712 62.300 -0.111 0.000 1.103 1184 V CB -0.563 31.287 31.823 0.046 0.000 0.688 1184 V HN 0.451 nan 8.190 nan 0.000 0.480 1185 E N -0.061 120.094 120.200 -0.074 0.000 2.122 1185 E HA -0.132 4.219 4.350 0.002 0.000 0.190 1185 E C 2.056 178.624 176.600 -0.053 0.000 0.977 1185 E CA 0.684 57.060 56.400 -0.039 0.000 0.820 1185 E CB 0.125 29.818 29.700 -0.012 0.000 0.770 1185 E HN 0.603 nan 8.360 nan 0.000 0.462 1186 E N 0.070 120.225 120.200 -0.076 0.000 2.494 1186 E HA -0.003 4.348 4.350 0.002 0.000 0.193 1186 E C 1.294 177.803 176.600 -0.152 0.000 1.074 1186 E CA 0.045 56.428 56.400 -0.029 0.000 0.867 1186 E CB 0.324 30.051 29.700 0.046 0.000 0.924 1186 E HN -0.056 nan 8.360 nan 0.000 0.502 1187 V N -0.640 119.061 119.914 -0.355 0.000 3.013 1187 V HA 0.070 4.191 4.120 0.002 0.000 0.238 1187 V C 1.716 177.577 176.094 -0.388 0.000 1.161 1187 V CA 0.319 62.209 62.300 -0.684 0.000 1.170 1187 V CB 0.015 31.293 31.823 -0.909 0.000 0.917 1187 V HN 0.282 nan 8.190 nan 0.000 0.478 1188 L N 0.372 121.461 121.223 -0.223 0.000 2.353 1188 L HA -0.034 4.307 4.340 0.002 0.000 0.220 1188 L C 0.539 177.399 176.870 -0.018 0.000 1.133 1188 L CA 1.141 55.932 54.840 -0.081 0.000 0.798 1188 L CB -0.191 41.855 42.059 -0.022 0.000 0.922 1188 L HN 0.378 nan 8.230 nan 0.000 0.445 1189 D N 0.492 120.880 120.400 -0.021 0.000 2.453 1189 D HA 0.404 5.045 4.640 0.002 0.000 0.238 1189 D C -0.580 175.778 176.300 0.096 0.000 1.088 1189 D CA -0.339 53.683 54.000 0.037 0.000 0.854 1189 D CB 0.619 41.443 40.800 0.039 0.000 1.076 1189 D HN -0.197 nan 8.370 nan 0.000 0.533 1190 K N 2.382 122.850 120.400 0.115 0.000 10.703 1190 K HA -0.042 4.279 4.320 0.002 0.000 1.138 1190 K C 0.410 177.134 176.600 0.206 0.000 2.420 1190 K CA 1.039 57.434 56.287 0.180 0.000 0.932 1190 K CB -1.157 31.510 32.500 0.278 0.000 1.348 1190 K HN 0.878 nan 8.250 nan 0.000 0.440 1191 S N 0.581 116.417 115.700 0.227 0.000 2.061 1191 S HA -0.188 4.283 4.470 0.002 0.000 0.236 1191 S C 1.913 176.604 174.600 0.152 0.000 1.096 1191 S CA 1.919 60.269 58.200 0.251 0.000 1.537 1191 S CB -2.551 60.780 63.200 0.219 0.000 1.961 1191 S HN 2.565 nan 8.310 nan 0.000 0.571 1192 G N 1.060 109.921 108.800 0.102 0.000 2.371 1192 G HA2 -0.321 3.640 3.960 0.002 0.000 0.299 1192 G HA3 -0.321 3.640 3.960 0.002 0.000 0.299 1192 G C 0.118 175.030 174.900 0.020 0.000 1.014 1192 G CA 0.991 46.123 45.100 0.053 0.000 1.097 1192 G HN 1.393 nan 8.290 nan 0.000 0.512 1193 Y N -0.151 120.134 120.300 -0.024 0.000 2.220 1193 Y HA -0.001 4.549 4.550 0.001 0.000 0.291 1193 Y C 2.826 178.717 175.900 -0.014 0.000 1.129 1193 Y CA 2.207 60.299 58.100 -0.013 0.000 1.161 1193 Y CB -0.071 38.359 38.460 -0.051 0.000 0.997 1193 Y HN 0.399 nan 8.280 nan 0.000 0.522 1194 R N -0.005 120.517 120.500 0.035 0.000 2.061 1194 R HA -0.178 4.163 4.340 0.002 0.000 0.230 1194 R C 2.138 178.405 176.300 -0.054 0.000 1.140 1194 R CA 1.806 57.912 56.100 0.010 0.000 0.940 1194 R CB -0.239 30.088 30.300 0.046 0.000 0.839 1194 R HN 0.249 nan 8.270 nan 0.000 0.429 1195 E N 0.602 120.781 120.200 -0.035 0.000 2.065 1195 E HA -0.284 4.067 4.350 0.002 0.000 0.201 1195 E C 1.879 178.436 176.600 -0.072 0.000 1.016 1195 E CA 1.978 58.356 56.400 -0.036 0.000 0.818 1195 E CB -0.225 29.467 29.700 -0.014 0.000 0.749 1195 E HN 0.237 nan 8.360 nan 0.000 0.453 1196 M N -0.108 119.423 119.600 -0.115 0.000 2.116 1196 M HA -0.268 4.213 4.480 0.002 0.000 0.255 1196 M C 1.747 177.961 176.300 -0.144 0.000 1.075 1196 M CA 1.699 56.913 55.300 -0.143 0.000 1.087 1196 M CB -0.252 32.213 32.600 -0.225 0.000 1.340 1196 M HN 0.184 nan 8.290 nan 0.000 0.402 1197 L N -0.308 120.807 121.223 -0.180 0.000 2.465 1197 L HA -0.113 4.228 4.340 0.002 0.000 0.224 1197 L C 2.079 178.912 176.870 -0.062 0.000 1.145 1197 L CA 0.407 55.172 54.840 -0.125 0.000 0.834 1197 L CB -0.448 41.535 42.059 -0.126 0.000 0.944 1197 L HN 0.145 nan 8.230 nan 0.000 0.451 1198 K N -0.111 120.258 120.400 -0.052 0.000 2.444 1198 K HA 0.180 4.500 4.320 0.002 0.000 0.193 1198 K C 1.527 178.114 176.600 -0.022 0.000 1.024 1198 K CA 0.644 56.915 56.287 -0.026 0.000 1.077 1198 K CB 0.481 32.971 32.500 -0.017 0.000 0.833 1198 K HN 0.245 nan 8.250 nan 0.000 0.517 1199 A N 0.629 123.431 122.820 -0.029 0.000 1.938 1199 A HA 0.018 4.339 4.320 0.002 0.000 0.207 1199 A C 1.674 179.247 177.584 -0.020 0.000 1.292 1199 A CA 0.287 52.311 52.037 -0.022 0.000 0.700 1199 A CB -0.176 18.810 19.000 -0.023 0.000 0.947 1199 A HN 0.248 nan 8.150 nan 0.000 0.476 1200 E N 0.029 120.213 120.200 -0.026 0.000 2.217 1200 E HA -0.275 4.076 4.350 0.002 0.000 0.219 1200 E C -0.251 176.342 176.600 -0.013 0.000 1.070 1200 E CA 1.203 57.590 56.400 -0.021 0.000 0.889 1200 E CB -0.443 29.241 29.700 -0.026 0.000 0.768 1200 E HN 0.483 nan 8.360 nan 0.000 0.465 1201 R N 0.808 121.302 120.500 -0.011 0.000 2.983 1201 R HA -0.107 4.234 4.340 0.002 0.000 0.272 1201 R C -1.236 175.062 176.300 -0.003 0.000 0.926 1201 R CA 0.653 56.750 56.100 -0.005 0.000 0.667 1201 R CB -2.151 28.146 30.300 -0.004 0.000 1.540 1201 R HN 0.154 nan 8.270 nan 0.000 0.467 1202 T N 1.266 115.819 114.554 -0.002 0.000 2.881 1202 T HA 0.365 4.716 4.350 0.002 0.000 0.290 1202 T C 0.143 174.847 174.700 0.006 0.000 1.000 1202 T CA -0.786 61.315 62.100 0.001 0.000 0.978 1202 T CB 1.977 70.845 68.868 0.000 0.000 0.997 1202 T HN 0.226 nan 8.240 nan 0.000 0.443 1203 I N 3.435 124.009 120.570 0.007 0.000 2.270 1203 I HA 0.285 4.456 4.170 0.002 0.000 0.294 1203 I C 0.901 177.025 176.117 0.012 0.000 1.164 1203 I CA 0.405 61.712 61.300 0.010 0.000 1.680 1203 I CB -0.672 37.334 38.000 0.010 0.000 1.494 1203 I HN 0.920 nan 8.210 nan 0.000 0.767 1204 E N 2.877 123.086 120.200 0.014 0.000 1.376 1204 E HA 0.143 4.494 4.350 0.002 0.000 0.202 1204 E C 1.108 177.719 176.600 0.019 0.000 0.934 1204 E CA 0.627 57.038 56.400 0.017 0.000 0.997 1204 E CB -0.610 29.099 29.700 0.014 0.000 4.505 1204 E HN 0.280 nan 8.360 nan 0.000 0.688 1205 A N 1.188 124.016 122.820 0.013 0.000 2.261 1205 A HA 0.045 4.366 4.320 0.002 0.000 0.208 1205 A C 1.537 179.133 177.584 0.021 0.000 1.223 1205 A CA 0.650 52.694 52.037 0.011 0.000 0.833 1205 A CB -0.200 18.800 19.000 -0.000 0.000 0.830 1205 A HN 0.213 nan 8.150 nan 0.000 0.483 1206 Q N -1.196 118.620 119.800 0.027 0.000 2.373 1206 Q HA 0.038 4.379 4.340 0.002 0.000 0.210 1206 Q C 2.039 178.067 176.000 0.048 0.000 0.913 1206 Q CA 0.907 56.730 55.803 0.034 0.000 0.911 1206 Q CB -0.108 28.647 28.738 0.029 0.000 1.040 1206 Q HN 0.582 nan 8.270 nan 0.000 0.521 1207 S N 0.541 116.271 115.700 0.051 0.000 2.336 1207 S HA -0.106 4.365 4.470 0.002 0.000 0.214 1207 S C 1.598 176.244 174.600 0.078 0.000 1.032 1207 S CA 0.590 58.831 58.200 0.067 0.000 1.001 1207 S CB 0.066 63.304 63.200 0.065 0.000 0.953 1207 S HN 0.251 nan 8.310 nan 0.000 0.430 1208 R N 0.712 121.254 120.500 0.070 0.000 2.402 1208 R HA -0.258 4.083 4.340 0.002 0.000 0.201 1208 R C 2.156 178.514 176.300 0.098 0.000 1.053 1208 R CA 2.191 58.340 56.100 0.082 0.000 0.698 1208 R CB -1.726 28.611 30.300 0.061 0.000 0.892 1208 R HN 0.427 nan 8.270 nan 0.000 0.355 1209 L N 0.908 122.178 121.223 0.079 0.000 2.021 1209 L HA -0.247 4.094 4.340 0.002 0.000 0.215 1209 L C 2.711 179.638 176.870 0.095 0.000 1.074 1209 L CA 1.822 56.710 54.840 0.081 0.000 0.760 1209 L CB -0.475 41.615 42.059 0.052 0.000 0.889 1209 L HN 0.412 nan 8.230 nan 0.000 0.433 1210 E N -0.136 120.117 120.200 0.087 0.000 2.031 1210 E HA -0.239 4.112 4.350 0.002 0.000 0.193 1210 E C 1.936 178.620 176.600 0.139 0.000 0.994 1210 E CA 1.684 58.142 56.400 0.096 0.000 0.800 1210 E CB -0.222 29.525 29.700 0.079 0.000 0.752 1210 E HN 0.491 nan 8.360 nan 0.000 0.447 1211 N N 0.429 119.223 118.700 0.157 0.000 2.061 1211 N HA -0.208 4.533 4.740 0.002 0.000 0.193 1211 N C 1.844 177.520 175.510 0.277 0.000 1.030 1211 N CA 0.915 54.106 53.050 0.236 0.000 0.856 1211 N CB -0.143 38.457 38.487 0.188 0.000 1.023 1211 N HN -0.000 nan 8.380 nan 0.000 0.424 1212 L N 0.408 121.744 121.223 0.188 0.000 2.081 1212 L HA -0.237 4.104 4.340 0.002 0.000 0.212 1212 L C 1.902 178.918 176.870 0.243 0.000 1.080 1212 L CA 1.455 56.400 54.840 0.175 0.000 0.754 1212 L CB -0.307 41.830 42.059 0.129 0.000 0.893 1212 L HN 0.260 nan 8.230 nan 0.000 0.433 1213 D N -0.787 119.730 120.400 0.194 0.000 2.194 1213 D HA -0.171 4.470 4.640 0.002 0.000 0.204 1213 D C 2.065 178.478 176.300 0.189 0.000 0.964 1213 D CA 0.862 54.963 54.000 0.168 0.000 0.846 1213 D CB 0.157 41.024 40.800 0.112 0.000 0.962 1213 D HN 0.290 nan 8.370 nan 0.000 0.490 1214 E N -1.292 119.037 120.200 0.214 0.000 2.268 1214 E HA -0.116 4.235 4.350 0.002 0.000 0.195 1214 E C 1.502 178.250 176.600 0.247 0.000 0.995 1214 E CA 0.202 56.712 56.400 0.183 0.000 0.836 1214 E CB -0.145 29.658 29.700 0.171 0.000 0.763 1214 E HN 0.328 nan 8.360 nan 0.000 0.491 1215 F N 0.373 120.485 119.950 0.270 0.000 2.259 1215 F HA -0.054 4.474 4.527 0.002 0.000 0.298 1215 F C 1.543 177.468 175.800 0.209 0.000 1.088 1215 F CA 0.908 59.120 58.000 0.354 0.000 1.358 1215 F CB 0.174 39.346 39.000 0.286 0.000 1.040 1215 F HN -0.059 nan 8.300 nan 0.000 0.505 1216 L N -0.784 120.598 121.223 0.265 0.000 2.478 1216 L HA -0.050 4.291 4.340 0.002 0.000 0.223 1216 L C 2.172 179.065 176.870 0.039 0.000 1.140 1216 L CA 0.528 55.442 54.840 0.123 0.000 0.842 1216 L CB -0.479 41.665 42.059 0.141 0.000 0.953 1216 L HN 0.022 nan 8.230 nan 0.000 0.452 1217 S N -1.039 114.690 115.700 0.048 0.000 2.406 1217 S HA -0.060 4.411 4.470 0.002 0.000 0.224 1217 S C 2.017 176.642 174.600 0.040 0.000 1.030 1217 S CA 0.509 58.729 58.200 0.033 0.000 0.958 1217 S CB 0.125 63.337 63.200 0.019 0.000 0.811 1217 S HN 0.132 nan 8.310 nan 0.000 0.489 1218 V N 2.761 122.672 119.914 -0.004 0.000 2.407 1218 V HA -0.200 3.921 4.120 0.002 0.000 0.248 1218 V C 2.870 179.038 176.094 0.123 0.000 1.055 1218 V CA 2.150 64.473 62.300 0.037 0.000 1.049 1218 V CB -1.463 30.313 31.823 -0.079 0.000 0.662 1218 V HN 0.744 nan 8.190 nan 0.000 0.455 1219 T N -1.240 113.274 114.554 -0.067 0.000 2.639 1219 T HA -0.263 4.088 4.350 0.002 0.000 0.261 1219 T C 1.859 176.589 174.700 0.049 0.000 1.053 1219 T CA 1.539 63.519 62.100 -0.201 0.000 1.158 1219 T CB -0.469 68.171 68.868 -0.381 0.000 0.863 1219 T HN 0.353 nan 8.240 nan 0.000 0.413 1220 K N 0.385 120.803 120.400 0.029 0.000 2.071 1220 K HA -0.276 4.045 4.320 0.002 0.000 0.217 1220 K C 2.441 179.098 176.600 0.095 0.000 1.054 1220 K CA 2.194 58.512 56.287 0.052 0.000 0.937 1220 K CB -0.577 31.950 32.500 0.045 0.000 0.719 1220 K HN 0.646 nan 8.250 nan 0.000 0.454 1221 H N -0.382 118.709 119.070 0.036 0.000 2.321 1221 H HA -0.182 4.375 4.556 0.002 0.000 0.300 1221 H C 2.149 177.515 175.328 0.064 0.000 1.087 1221 H CA 1.895 57.964 56.048 0.034 0.000 1.319 1221 H CB -0.106 29.672 29.762 0.028 0.000 1.379 1221 H HN 0.295 nan 8.280 nan 0.000 0.501 1222 F N 1.880 121.710 119.950 -0.201 0.000 2.120 1222 F HA -0.157 4.371 4.527 0.002 0.000 0.300 1222 F C 2.073 177.783 175.800 -0.149 0.000 1.095 1222 F CA 1.684 59.564 58.000 -0.199 0.000 1.249 1222 F CB -0.378 38.661 39.000 0.067 0.000 0.995 1222 F HN 0.106 nan 8.300 nan 0.000 0.480 1223 E N 0.345 120.246 120.200 -0.498 0.000 2.403 1223 E HA -0.045 4.306 4.350 0.002 0.000 0.187 1223 E C 0.903 177.321 176.600 -0.303 0.000 1.073 1223 E CA -0.026 56.017 56.400 -0.594 0.000 0.888 1223 E CB -0.503 29.020 29.700 -0.295 0.000 1.035 1223 E HN 0.683 nan 8.360 nan 0.000 0.471 1224 N N -0.597 117.959 118.700 -0.240 0.000 2.499 1224 N HA -0.029 4.712 4.740 0.002 0.000 0.182 1224 N C 0.597 176.012 175.510 -0.157 0.000 1.034 1224 N CA 0.473 53.450 53.050 -0.122 0.000 0.882 1224 N CB 0.940 39.428 38.487 0.002 0.000 1.125 1224 N HN -0.041 nan 8.380 nan 0.000 0.436 1225 V N -0.700 119.062 119.914 -0.253 0.000 2.294 1225 V HA 0.586 4.707 4.120 0.002 0.000 0.258 1225 V C -0.710 175.221 176.094 -0.271 0.000 1.080 1225 V CA -0.404 61.762 62.300 -0.224 0.000 1.128 1225 V CB 0.544 32.238 31.823 -0.216 0.000 1.323 1225 V HN -0.104 nan 8.190 nan 0.000 0.498 1226 S N 1.812 117.335 115.700 -0.296 0.000 2.584 1226 S HA 0.365 4.836 4.470 0.002 0.000 0.280 1226 S C -0.086 174.378 174.600 -0.226 0.000 1.162 1226 S CA -0.530 57.486 58.200 -0.308 0.000 0.951 1226 S CB 2.068 64.884 63.200 -0.639 0.000 1.108 1226 S HN 0.740 nan 8.310 nan 0.000 0.464 1227 D N 1.264 121.584 120.400 -0.132 0.000 2.144 1227 D HA -0.026 4.615 4.640 0.002 0.000 0.207 1227 D C 0.431 176.686 176.300 -0.075 0.000 0.970 1227 D CA 0.371 54.319 54.000 -0.086 0.000 0.853 1227 D CB 0.112 40.882 40.800 -0.050 0.000 1.007 1227 D HN 0.476 nan 8.370 nan 0.000 0.469 1228 D N 0.872 121.244 120.400 -0.047 0.000 2.470 1228 D HA 0.052 4.693 4.640 0.002 0.000 0.226 1228 D C -0.706 175.610 176.300 0.026 0.000 1.196 1228 D CA -0.147 53.856 54.000 0.005 0.000 0.979 1228 D CB -0.001 40.822 40.800 0.039 0.000 1.059 1228 D HN -0.031 nan 8.370 nan 0.000 0.515 1229 K N 1.996 122.375 120.400 -0.034 0.000 2.765 1229 K HA 0.184 4.505 4.320 0.002 0.000 0.246 1229 K C -0.131 176.582 176.600 0.189 0.000 1.254 1229 K CA -0.442 55.818 56.287 -0.046 0.000 1.219 1229 K CB 0.250 32.620 32.500 -0.216 0.000 1.747 1229 K HN 0.327 nan 8.250 nan 0.000 0.372 1230 S N -0.497 115.378 115.700 0.291 0.000 2.578 1230 S HA 0.301 4.772 4.470 0.002 0.000 0.301 1230 S C 1.027 175.749 174.600 0.204 0.000 1.091 1230 S CA -1.034 57.274 58.200 0.180 0.000 1.032 1230 S CB 1.482 64.735 63.200 0.089 0.000 1.064 1230 S HN 0.335 nan 8.310 nan 0.000 0.508 1231 L N 0.924 122.208 121.223 0.103 0.000 1.963 1231 L HA -0.176 4.165 4.340 0.002 0.000 0.220 1231 L C 1.989 178.895 176.870 0.060 0.000 1.076 1231 L CA 2.044 56.926 54.840 0.069 0.000 0.772 1231 L CB -0.768 41.311 42.059 0.033 0.000 0.892 1231 L HN 0.833 nan 8.230 nan 0.000 0.435 1232 I N 0.407 120.988 120.570 0.018 0.000 2.462 1232 I HA -0.316 3.855 4.170 0.002 0.000 0.259 1232 I C 2.547 178.640 176.117 -0.041 0.000 1.156 1232 I CA 1.685 62.964 61.300 -0.036 0.000 1.417 1232 I CB -1.077 36.886 38.000 -0.062 0.000 1.088 1232 I HN 0.305 nan 8.210 nan 0.000 0.442 1233 A N -0.315 122.523 122.820 0.031 0.000 1.887 1233 A HA -0.020 4.301 4.320 0.002 0.000 0.212 1233 A C 2.167 179.719 177.584 -0.052 0.000 1.198 1233 A CA 0.446 52.515 52.037 0.053 0.000 0.628 1233 A CB -0.976 18.151 19.000 0.211 0.000 0.847 1233 A HN 0.358 nan 8.150 nan 0.000 0.449 1234 F N 1.039 120.762 119.950 -0.379 0.000 2.115 1234 F HA -0.235 4.293 4.527 0.002 0.000 0.300 1234 F C 1.627 177.213 175.800 -0.357 0.000 1.092 1234 F CA 1.872 59.382 58.000 -0.816 0.000 1.245 1234 F CB -0.376 37.949 39.000 -1.125 0.000 0.995 1234 F HN 0.134 nan 8.300 nan 0.000 0.481 1235 L N -0.284 120.732 121.223 -0.345 0.000 2.141 1235 L HA -0.142 4.199 4.340 0.002 0.000 0.209 1235 L C 2.378 179.126 176.870 -0.204 0.000 1.094 1235 L CA 1.872 56.543 54.840 -0.282 0.000 0.763 1235 L CB -1.501 40.498 42.059 -0.100 0.000 0.908 1235 L HN 0.103 nan 8.230 nan 0.000 0.437 1236 T N -0.392 114.071 114.554 -0.151 0.000 2.564 1236 T HA -0.223 4.128 4.350 0.002 0.000 0.259 1236 T C 1.586 176.244 174.700 -0.069 0.000 1.087 1236 T CA 1.647 63.707 62.100 -0.067 0.000 1.184 1236 T CB -0.453 68.391 68.868 -0.040 0.000 0.864 1236 T HN 0.543 nan 8.240 nan 0.000 0.403 1237 D N 1.024 121.362 120.400 -0.105 0.000 2.354 1237 D HA -0.089 4.552 4.640 0.002 0.000 0.216 1237 D C 1.561 177.757 176.300 -0.172 0.000 0.970 1237 D CA 0.536 54.477 54.000 -0.097 0.000 0.905 1237 D CB -0.212 40.556 40.800 -0.052 0.000 0.903 1237 D HN 0.216 nan 8.370 nan 0.000 0.508 1238 L N 0.659 121.700 121.223 -0.304 0.000 2.589 1238 L HA 0.352 4.693 4.340 0.002 0.000 0.146 1238 L C 2.457 179.299 176.870 -0.046 0.000 1.557 1238 L CA 1.393 56.047 54.840 -0.309 0.000 3.084 1238 L CB -1.132 40.572 42.059 -0.593 0.000 3.028 1238 L HN 0.082 nan 8.230 nan 0.000 0.925 1239 A N -0.299 122.568 122.820 0.077 0.000 1.477 1239 A HA -0.409 3.912 4.320 0.002 0.000 0.350 1239 A C 2.206 180.011 177.584 0.369 0.000 4.342 1239 A CA 3.175 55.375 52.037 0.272 0.000 0.935 1239 A CB -2.036 17.058 19.000 0.156 0.000 0.711 1239 A HN 0.746 nan 8.150 nan 0.000 0.563 1240 L N -0.802 120.554 121.223 0.222 0.000 1.994 1240 L HA 0.041 4.382 4.340 0.002 0.000 0.208 1240 L C 0.840 177.730 176.870 0.033 0.000 1.071 1240 L CA 1.560 56.493 54.840 0.155 0.000 0.745 1240 L CB -0.092 42.026 42.059 0.100 0.000 0.892 1240 L HN 0.541 nan 8.230 nan 0.000 0.431 1241 I N 0.099 120.669 120.570 0.001 0.000 2.301 1241 I HA 0.035 4.206 4.170 0.002 0.000 0.292 1241 I C 0.957 177.012 176.117 -0.103 0.000 1.046 1241 I CA -0.044 61.223 61.300 -0.054 0.000 1.282 1241 I CB 1.192 39.155 38.000 -0.062 0.000 1.409 1241 I HN 0.175 nan 8.210 nan 0.000 0.484 1242 S N 1.787 117.387 115.700 -0.167 0.000 2.556 1242 S HA 0.108 4.579 4.470 0.002 0.000 0.216 1242 S C 0.216 174.663 174.600 -0.255 0.000 0.970 1242 S CA -0.475 57.492 58.200 -0.388 0.000 0.912 1242 S CB -0.135 62.789 63.200 -0.460 0.000 0.790 1242 S HN 0.607 nan 8.310 nan 0.000 0.504 1243 D N 1.329 121.633 120.400 -0.159 0.000 2.233 1243 D HA 0.327 4.968 4.640 0.002 0.000 0.240 1243 D C 0.621 176.797 176.300 -0.207 0.000 1.074 1243 D CA -0.714 53.205 54.000 -0.134 0.000 0.838 1243 D CB 1.484 42.231 40.800 -0.087 0.000 1.124 1243 D HN 0.040 nan 8.370 nan 0.000 0.475 1244 L N 3.516 124.569 121.223 -0.285 0.000 2.353 1244 L HA -0.047 4.293 4.340 0.002 0.000 0.220 1244 L C 0.960 177.649 176.870 -0.302 0.000 1.133 1244 L CA 1.689 56.222 54.840 -0.510 0.000 0.798 1244 L CB -0.009 41.721 42.059 -0.549 0.000 0.922 1244 L HN 0.391 nan 8.230 nan 0.000 0.445 1245 D N -0.950 119.339 120.400 -0.184 0.000 2.271 1245 D HA -0.063 4.578 4.640 0.002 0.000 0.206 1245 D C 1.574 177.813 176.300 -0.102 0.000 0.967 1245 D CA 0.443 54.366 54.000 -0.128 0.000 0.867 1245 D CB 0.078 40.826 40.800 -0.087 0.000 0.960 1245 D HN 0.374 nan 8.370 nan 0.000 0.509 1246 E N 0.293 120.435 120.200 -0.097 0.000 2.502 1246 E HA 0.123 4.474 4.350 0.002 0.000 0.194 1246 E C 0.732 177.313 176.600 -0.032 0.000 1.062 1246 E CA 0.047 56.414 56.400 -0.055 0.000 0.867 1246 E CB 0.559 30.228 29.700 -0.051 0.000 0.888 1246 E HN 0.343 nan 8.360 nan 0.000 0.510 1247 L N 0.000 121.177 121.223 -0.076 0.000 2.949 1247 L HA 0.000 4.341 4.340 0.002 0.000 0.249 1247 L CA 0.000 54.826 54.840 -0.024 0.000 0.813 1247 L CB 0.000 41.964 42.059 -0.159 0.000 0.961 1247 L HN 0.000 nan 8.230 nan 0.000 0.502