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 2hrc_1_B DATA FIRST_RESID 565 DATA SEQUENCE RKPKTGILML NMGGPETLGD VHDFLLRLFL DRDLMTLPIQ NKLAPFIAKR DATA SEQUENCE LTPKIQEQYR RIGGGSPIKI WTSKQGEGMV KLLDELSPNT APHKYYIGFR DATA SEQUENCE YVHPLTEEAI EEMERDGLER AIAFTQYPQY SCSTTGSSLN AIYRYYNQVG DATA SEQUENCE RKPTMKWSTI DRWPTHHLLI QCFADHILKE LDHFPLEKRS EVVILFSAHS DATA SEQUENCE LPMSVVNRGD PYPQEVSATV QKVMERLEYC NPYRLVWQSK VGPMPWLGPQ DATA SEQUENCE TDESIKGLCE RGRKNILLVP IAFTSDHIET LYELDIEYSQ VLAKECGVEN DATA SEQUENCE IRRAESLNGN PLFSKALADL VHSHIQSNEL CSKQLTLSCP LCVNPVCRET DATA SEQUENCE KSFFTSQQL 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 565 R HA 0.000 nan 4.340 nan 0.000 0.208 565 R C 0.000 176.285 176.300 -0.025 0.000 0.893 565 R CA 0.000 56.087 56.100 -0.022 0.000 0.921 565 R CB 0.000 30.286 30.300 -0.023 0.000 0.687 566 K N 3.857 124.243 120.400 -0.025 0.000 2.326 566 K HA 0.290 4.610 4.320 0.000 0.000 0.275 566 K C -1.961 174.621 176.600 -0.030 0.000 1.018 566 K CA -1.548 54.726 56.287 -0.023 0.000 0.962 566 K CB 0.621 33.110 32.500 -0.018 0.000 0.953 566 K HN 0.460 nan 8.250 nan 0.000 0.475 567 P HA 0.002 nan 4.420 nan 0.000 0.268 567 P C -0.746 176.532 177.300 -0.038 0.000 1.204 567 P CA 0.183 63.268 63.100 -0.025 0.000 0.768 567 P CB 1.227 32.935 31.700 0.013 0.000 0.842 568 K N 1.494 121.845 120.400 -0.082 0.000 2.306 568 K HA 0.110 4.431 4.320 0.000 0.000 0.200 568 K C 0.004 176.540 176.600 -0.105 0.000 1.083 568 K CA 0.584 56.811 56.287 -0.100 0.000 0.959 568 K CB 0.530 32.948 32.500 -0.136 0.000 0.994 568 K HN 0.381 nan 8.250 nan 0.000 0.492 569 T N 0.571 115.046 114.554 -0.132 0.000 2.809 569 T HA 0.477 4.827 4.350 0.000 0.000 0.284 569 T C -0.554 174.176 174.700 0.049 0.000 0.992 569 T CA -0.803 61.255 62.100 -0.070 0.000 0.957 569 T CB 1.649 70.463 68.868 -0.090 0.000 0.942 569 T HN 0.274 nan 8.240 nan 0.000 0.439 570 G N 2.637 111.466 108.800 0.049 0.000 2.372 570 G HA2 0.611 4.572 3.960 0.000 0.000 0.323 570 G HA3 0.611 4.572 3.960 0.000 0.000 0.323 570 G C -0.611 174.382 174.900 0.155 0.000 1.152 570 G CA -0.583 44.628 45.100 0.185 0.000 0.906 570 G HN 0.632 nan 8.290 nan 0.000 0.460 571 I N 3.292 124.035 120.570 0.288 0.000 2.359 571 I HA 0.183 4.354 4.170 0.000 0.000 0.284 571 I C -0.475 175.837 176.117 0.325 0.000 1.018 571 I CA -0.958 60.500 61.300 0.263 0.000 1.173 571 I CB 1.232 39.386 38.000 0.257 0.000 1.326 571 I HN 0.240 nan 8.210 nan 0.000 0.462 572 L N 7.991 129.382 121.223 0.280 0.000 2.295 572 L HA 0.378 4.718 4.340 0.000 0.000 0.288 572 L C -0.004 177.014 176.870 0.246 0.000 1.079 572 L CA 0.162 55.168 54.840 0.278 0.000 0.830 572 L CB 0.434 42.678 42.059 0.309 0.000 1.200 572 L HN 0.449 nan 8.230 nan 0.000 0.438 573 M N 6.707 126.406 119.600 0.165 0.000 2.108 573 M HA 0.308 4.789 4.480 0.000 0.000 0.347 573 M C -0.776 175.542 176.300 0.031 0.000 1.326 573 M CA 0.056 55.377 55.300 0.035 0.000 1.126 573 M CB 0.449 33.017 32.600 -0.053 0.000 1.606 573 M HN 0.438 nan 8.290 nan 0.000 0.462 574 L N 3.905 125.172 121.223 0.073 0.000 2.289 574 L HA 0.549 4.889 4.340 0.000 0.000 0.285 574 L C -0.221 176.729 176.870 0.134 0.000 1.049 574 L CA -0.264 54.652 54.840 0.127 0.000 0.804 574 L CB 1.151 43.319 42.059 0.182 0.000 1.195 574 L HN 0.766 nan 8.230 nan 0.000 0.428 575 N N 1.264 120.111 118.700 0.245 0.000 2.961 575 N HA 0.229 4.969 4.740 0.000 0.000 0.245 575 N C 0.333 176.063 175.510 0.367 0.000 1.404 575 N CA -0.699 52.507 53.050 0.260 0.000 0.880 575 N CB 1.797 40.426 38.487 0.237 0.000 1.461 575 N HN 0.647 nan 8.380 nan 0.000 0.510 576 M N 1.606 121.422 119.600 0.361 0.000 2.200 576 M HA 0.177 4.657 4.480 0.000 0.000 0.265 576 M C 0.701 177.039 176.300 0.063 0.000 1.066 576 M CA 2.202 57.612 55.300 0.183 0.000 1.127 576 M CB -0.346 32.426 32.600 0.287 0.000 1.379 576 M HN 0.784 nan 8.290 nan 0.000 0.420 577 G N -0.759 107.968 108.800 -0.121 0.000 2.756 577 G HA2 0.097 4.057 3.960 0.000 0.000 0.678 577 G HA3 0.097 4.057 3.960 0.000 0.000 0.678 577 G C -0.403 174.224 174.900 -0.455 0.000 1.349 577 G CA -0.604 44.028 45.100 -0.781 0.000 0.847 577 G HN 0.886 nan 8.290 nan 0.000 0.548 578 G N -0.446 107.969 108.800 -0.641 0.000 2.718 578 G HA2 0.879 4.840 3.960 0.000 0.000 0.295 578 G HA3 0.879 4.840 3.960 0.000 0.000 0.295 578 G C -2.933 171.526 174.900 -0.735 0.000 1.421 578 G CA -0.327 44.341 45.100 -0.721 0.000 0.902 578 G HN 0.787 nan 8.290 nan 0.000 0.501 579 P HA 0.080 nan 4.420 nan 0.000 0.267 579 P C 0.377 177.380 177.300 -0.494 0.000 1.209 579 P CA 0.203 62.922 63.100 -0.635 0.000 0.763 579 P CB 2.102 33.399 31.700 -0.671 0.000 0.816 580 E N 2.533 122.577 120.200 -0.260 0.000 2.150 580 E HA -0.077 4.273 4.350 0.000 0.000 0.193 580 E C 0.484 176.998 176.600 -0.144 0.000 0.985 580 E CA 0.944 57.250 56.400 -0.157 0.000 0.814 580 E CB 0.324 29.989 29.700 -0.058 0.000 0.752 580 E HN 0.641 nan 8.360 nan 0.000 0.466 581 T N -3.923 110.542 114.554 -0.149 0.000 2.887 581 T HA 0.303 4.653 4.350 0.000 0.000 0.292 581 T C 1.099 175.722 174.700 -0.128 0.000 1.087 581 T CA -0.825 61.213 62.100 -0.103 0.000 1.009 581 T CB 0.916 69.755 68.868 -0.047 0.000 1.203 581 T HN 0.001 nan 8.240 nan 0.000 0.518 582 L N 0.578 121.759 121.223 -0.068 0.000 2.131 582 L HA 0.094 4.434 4.340 0.000 0.000 0.210 582 L C 2.837 179.697 176.870 -0.017 0.000 1.092 582 L CA 1.701 56.517 54.840 -0.041 0.000 0.759 582 L CB -0.987 41.075 42.059 0.005 0.000 0.903 582 L HN 1.001 nan 8.230 nan 0.000 0.435 583 G N -0.747 108.048 108.800 -0.009 0.000 2.509 583 G HA2 -0.179 3.782 3.960 0.000 0.000 0.218 583 G HA3 -0.179 3.782 3.960 0.000 0.000 0.218 583 G C 1.060 175.981 174.900 0.035 0.000 1.124 583 G CA 0.365 45.475 45.100 0.016 0.000 0.776 583 G HN 0.330 nan 8.290 nan 0.000 0.547 584 D N 0.076 120.478 120.400 0.003 0.000 2.348 584 D HA 0.028 4.668 4.640 0.000 0.000 0.211 584 D C 2.544 178.877 176.300 0.055 0.000 0.998 584 D CA 0.008 54.023 54.000 0.026 0.000 0.873 584 D CB 0.514 41.294 40.800 -0.033 0.000 0.925 584 D HN 0.177 nan 8.370 nan 0.000 0.524 585 V N 1.406 121.341 119.914 0.035 0.000 2.255 585 V HA -0.278 3.842 4.120 0.000 0.000 0.247 585 V C 2.487 178.702 176.094 0.202 0.000 1.051 585 V CA 1.678 64.049 62.300 0.117 0.000 1.018 585 V CB -0.648 31.232 31.823 0.095 0.000 0.641 585 V HN 0.395 nan 8.190 nan 0.000 0.445 586 H N 0.498 119.622 119.070 0.089 0.000 2.289 586 H HA -0.204 4.353 4.556 0.001 0.000 0.296 586 H C 2.091 177.465 175.328 0.076 0.000 1.091 586 H CA 2.322 58.415 56.048 0.075 0.000 1.274 586 H CB -0.224 29.569 29.762 0.052 0.000 1.364 586 H HN 0.414 nan 8.280 nan 0.000 0.490 587 D N 0.031 120.574 120.400 0.239 0.000 2.219 587 D HA -0.126 4.514 4.640 0.000 0.000 0.205 587 D C 2.099 178.445 176.300 0.076 0.000 0.970 587 D CA 0.574 54.670 54.000 0.161 0.000 0.851 587 D CB -0.704 40.215 40.800 0.198 0.000 0.943 587 D HN 0.354 nan 8.370 nan 0.000 0.488 588 F N 1.577 121.498 119.950 -0.048 0.000 2.075 588 F HA -0.133 4.394 4.527 0.001 0.000 0.297 588 F C 1.960 177.655 175.800 -0.174 0.000 1.113 588 F CA 1.233 59.191 58.000 -0.070 0.000 1.218 588 F CB -0.567 38.390 39.000 -0.072 0.000 0.984 588 F HN -0.122 nan 8.300 nan 0.000 0.472 589 L N -0.354 120.600 121.223 -0.449 0.000 2.093 589 L HA -0.169 4.171 4.340 0.000 0.000 0.208 589 L C 2.461 179.061 176.870 -0.450 0.000 1.085 589 L CA 0.880 55.337 54.840 -0.638 0.000 0.755 589 L CB -0.896 41.018 42.059 -0.242 0.000 0.904 589 L HN 0.302 nan 8.230 nan 0.000 0.435 590 L N 0.161 121.211 121.223 -0.290 0.000 2.017 590 L HA -0.195 4.145 4.340 0.000 0.000 0.208 590 L C 2.735 179.507 176.870 -0.164 0.000 1.073 590 L CA 1.753 56.494 54.840 -0.164 0.000 0.745 590 L CB -0.546 41.427 42.059 -0.143 0.000 0.894 590 L HN 0.096 nan 8.230 nan 0.000 0.432 591 R N -0.734 119.649 120.500 -0.195 0.000 2.096 591 R HA -0.157 4.184 4.340 0.000 0.000 0.235 591 R C 2.342 178.375 176.300 -0.445 0.000 1.127 591 R CA 1.725 57.733 56.100 -0.153 0.000 0.968 591 R CB -0.674 29.647 30.300 0.034 0.000 0.861 591 R HN 0.443 nan 8.270 nan 0.000 0.440 592 L N 0.067 120.703 121.223 -0.978 0.000 2.056 592 L HA -0.113 4.227 4.340 0.000 0.000 0.207 592 L C 1.693 178.069 176.870 -0.825 0.000 1.078 592 L CA 1.494 55.413 54.840 -1.535 0.000 0.749 592 L CB -0.133 40.878 42.059 -1.747 0.000 0.901 592 L HN 0.077 nan 8.230 nan 0.000 0.433 593 F N -0.721 118.984 119.950 -0.410 0.000 2.699 593 F HA -0.065 4.462 4.527 0.000 0.000 0.298 593 F C 1.826 177.533 175.800 -0.156 0.000 1.154 593 F CA 0.265 58.121 58.000 -0.240 0.000 1.457 593 F CB 0.092 38.973 39.000 -0.198 0.000 1.106 593 F HN 0.068 nan 8.300 nan 0.000 0.585 594 L N -0.780 120.428 121.223 -0.023 0.000 2.607 594 L HA 0.050 4.390 4.340 0.000 0.000 0.228 594 L C 0.351 177.226 176.870 0.008 0.000 1.123 594 L CA 0.003 54.848 54.840 0.008 0.000 0.890 594 L CB -0.103 41.962 42.059 0.010 0.000 1.103 594 L HN -0.134 nan 8.230 nan 0.000 0.468 595 D N 1.097 121.483 120.400 -0.024 0.000 2.455 595 D HA 0.008 4.648 4.640 0.000 0.000 0.234 595 D C 1.282 177.603 176.300 0.034 0.000 1.224 595 D CA 0.113 54.136 54.000 0.038 0.000 0.999 595 D CB 0.552 41.407 40.800 0.092 0.000 1.072 595 D HN 0.070 nan 8.370 nan 0.000 0.514 596 R N 1.936 122.459 120.500 0.039 0.000 2.249 596 R HA -0.104 4.236 4.340 0.000 0.000 0.230 596 R C 0.577 176.897 176.300 0.033 0.000 1.121 596 R CA 0.821 56.941 56.100 0.034 0.000 0.997 596 R CB 0.268 30.588 30.300 0.033 0.000 0.867 596 R HN 0.449 nan 8.270 nan 0.000 0.465 597 D N 0.339 120.765 120.400 0.043 0.000 2.249 597 D HA -0.078 4.562 4.640 0.000 0.000 0.205 597 D C 1.769 178.083 176.300 0.023 0.000 0.962 597 D CA 0.530 54.553 54.000 0.039 0.000 0.860 597 D CB 0.135 40.968 40.800 0.053 0.000 0.955 597 D HN 0.103 nan 8.370 nan 0.000 0.505 598 L N 0.216 121.456 121.223 0.029 0.000 2.162 598 L HA 0.144 4.484 4.340 0.000 0.000 0.205 598 L C 0.620 177.483 176.870 -0.011 0.000 1.086 598 L CA 1.043 55.887 54.840 0.008 0.000 0.778 598 L CB -0.005 42.071 42.059 0.028 0.000 0.928 598 L HN -0.037 nan 8.230 nan 0.000 0.446 599 M N -3.065 116.537 119.600 0.003 0.000 2.534 599 M HA 0.450 4.930 4.480 0.000 0.000 0.280 599 M C -1.148 175.164 176.300 0.021 0.000 1.217 599 M CA -0.579 54.727 55.300 0.010 0.000 0.893 599 M CB 1.638 34.257 32.600 0.032 0.000 1.730 599 M HN -0.323 nan 8.290 nan 0.000 0.483 600 T N 3.216 117.779 114.554 0.016 0.000 2.786 600 T HA 0.747 5.097 4.350 0.000 0.000 0.283 600 T C -0.741 173.969 174.700 0.016 0.000 0.992 600 T CA -0.545 61.565 62.100 0.016 0.000 0.954 600 T CB 0.873 69.746 68.868 0.008 0.000 0.934 600 T HN 0.542 nan 8.240 nan 0.000 0.440 601 L N 4.320 125.553 121.223 0.017 0.000 2.354 601 L HA 0.546 4.887 4.340 0.000 0.000 0.269 601 L C -2.409 174.463 176.870 0.004 0.000 1.005 601 L CA -2.730 52.115 54.840 0.009 0.000 0.819 601 L CB 2.009 44.071 42.059 0.005 0.000 1.311 601 L HN 0.327 nan 8.230 nan 0.000 0.423 602 P HA 0.066 nan 4.420 nan 0.000 0.269 602 P C 0.162 177.458 177.300 -0.006 0.000 1.209 602 P CA -0.292 62.805 63.100 -0.005 0.000 0.776 602 P CB 0.227 31.922 31.700 -0.009 0.000 0.876 603 I N -0.495 120.072 120.570 -0.006 0.000 3.815 603 I HA -0.332 3.839 4.170 0.000 0.000 0.126 603 I C 0.860 176.977 176.117 -0.000 0.000 1.050 603 I CA 0.918 62.215 61.300 -0.006 0.000 2.736 603 I CB -2.100 35.891 38.000 -0.016 0.000 1.417 603 I HN 0.627 nan 8.210 nan 0.000 0.341 604 Q N 2.091 121.895 119.800 0.007 0.000 2.152 604 Q HA -0.218 4.122 4.340 0.000 0.000 0.206 604 Q C 1.621 177.634 176.000 0.022 0.000 0.985 604 Q CA 2.566 58.378 55.803 0.015 0.000 0.863 604 Q CB 0.083 28.835 28.738 0.022 0.000 0.904 604 Q HN 0.799 nan 8.270 nan 0.000 0.422 605 N N -0.084 118.628 118.700 0.020 0.000 2.364 605 N HA -0.114 4.626 4.740 0.000 0.000 0.183 605 N C 0.912 176.439 175.510 0.029 0.000 1.022 605 N CA 1.100 54.166 53.050 0.026 0.000 0.883 605 N CB 0.154 38.654 38.487 0.022 0.000 0.965 605 N HN 0.228 nan 8.380 nan 0.000 0.438 606 K N -0.611 119.800 120.400 0.019 0.000 2.244 606 K HA 0.223 4.544 4.320 0.000 0.000 0.200 606 K C 1.609 178.232 176.600 0.038 0.000 1.052 606 K CA 0.260 56.558 56.287 0.018 0.000 0.980 606 K CB 0.226 32.719 32.500 -0.011 0.000 0.838 606 K HN 0.060 nan 8.250 nan 0.000 0.481 607 L N 0.868 122.108 121.223 0.029 0.000 2.179 607 L HA -0.019 4.322 4.340 0.000 0.000 0.208 607 L C 2.533 179.419 176.870 0.027 0.000 1.096 607 L CA 0.633 55.506 54.840 0.056 0.000 0.779 607 L CB -0.494 41.571 42.059 0.010 0.000 0.922 607 L HN 0.173 nan 8.230 nan 0.000 0.443 608 A N 1.149 123.975 122.820 0.009 0.000 1.865 608 A HA -0.155 4.165 4.320 0.000 0.000 0.217 608 A C -0.074 177.517 177.584 0.012 0.000 1.191 608 A CA 1.842 53.885 52.037 0.010 0.000 0.623 608 A CB -1.849 17.194 19.000 0.072 0.000 0.826 608 A HN 0.262 nan 8.150 nan 0.000 0.444 609 P HA -0.133 nan 4.420 nan 0.000 0.217 609 P C 1.415 178.782 177.300 0.111 0.000 1.150 609 P CA 1.018 64.175 63.100 0.095 0.000 0.832 609 P CB -0.118 31.664 31.700 0.136 0.000 0.787 610 F N 0.225 120.155 119.950 -0.033 0.000 2.113 610 F HA -0.108 4.420 4.527 0.000 0.000 0.297 610 F C 1.990 177.731 175.800 -0.099 0.000 1.103 610 F CA 1.353 59.326 58.000 -0.045 0.000 1.248 610 F CB -0.864 38.101 39.000 -0.059 0.000 0.999 610 F HN -0.249 nan 8.300 nan 0.000 0.475 611 I N 0.257 120.606 120.570 -0.368 0.000 2.286 611 I HA -0.278 3.893 4.170 0.000 0.000 0.248 611 I C 2.671 178.536 176.117 -0.421 0.000 1.115 611 I CA 1.105 62.049 61.300 -0.593 0.000 1.392 611 I CB -1.006 36.462 38.000 -0.888 0.000 1.065 611 I HN 0.236 nan 8.210 nan 0.000 0.418 612 A N 0.968 123.647 122.820 -0.236 0.000 1.883 612 A HA -0.277 4.043 4.320 0.000 0.000 0.217 612 A C 2.417 179.923 177.584 -0.131 0.000 1.186 612 A CA 2.058 54.029 52.037 -0.110 0.000 0.624 612 A CB -0.554 18.287 19.000 -0.264 0.000 0.822 612 A HN 0.377 nan 8.150 nan 0.000 0.444 613 K N 0.191 120.539 120.400 -0.088 0.000 2.097 613 K HA -0.211 4.110 4.320 0.000 0.000 0.205 613 K C 2.242 178.788 176.600 -0.090 0.000 1.050 613 K CA 1.555 57.868 56.287 0.043 0.000 0.938 613 K CB -0.184 32.366 32.500 0.083 0.000 0.718 613 K HN 0.614 nan 8.250 nan 0.000 0.442 614 R N 0.142 120.470 120.500 -0.287 0.000 2.148 614 R HA -0.034 4.306 4.340 0.000 0.000 0.223 614 R C 2.000 178.212 176.300 -0.146 0.000 1.088 614 R CA 1.107 57.039 56.100 -0.279 0.000 0.985 614 R CB -0.381 29.619 30.300 -0.500 0.000 0.880 614 R HN 0.175 nan 8.270 nan 0.000 0.451 615 L N 0.694 121.851 121.223 -0.110 0.000 2.375 615 L HA 0.070 4.410 4.340 0.000 0.000 0.215 615 L C 1.743 178.624 176.870 0.019 0.000 1.108 615 L CA 0.646 55.470 54.840 -0.027 0.000 0.830 615 L CB -0.187 41.891 42.059 0.031 0.000 0.959 615 L HN 0.262 nan 8.230 nan 0.000 0.457 616 T N 0.748 115.320 114.554 0.030 0.000 2.635 616 T HA -0.157 4.193 4.350 0.000 0.000 0.267 616 T C -0.524 174.212 174.700 0.060 0.000 1.040 616 T CA 1.720 63.864 62.100 0.074 0.000 1.156 616 T CB -1.023 67.918 68.868 0.122 0.000 0.863 616 T HN 0.208 nan 8.240 nan 0.000 0.430 617 P HA -0.156 nan 4.420 nan 0.000 0.215 617 P C 1.475 178.784 177.300 0.015 0.000 1.157 617 P CA 1.563 64.677 63.100 0.024 0.000 0.874 617 P CB -0.109 31.598 31.700 0.012 0.000 0.790 618 K N -0.938 119.465 120.400 0.005 0.000 2.097 618 K HA -0.073 4.248 4.320 0.000 0.000 0.205 618 K C 1.845 178.424 176.600 -0.035 0.000 1.050 618 K CA 1.498 57.776 56.287 -0.015 0.000 0.938 618 K CB -0.982 31.509 32.500 -0.015 0.000 0.718 618 K HN 0.006 nan 8.250 nan 0.000 0.442 619 I N 2.137 122.714 120.570 0.012 0.000 2.353 619 I HA -0.159 4.011 4.170 0.000 0.000 0.248 619 I C 2.421 178.605 176.117 0.112 0.000 1.119 619 I CA 1.372 62.700 61.300 0.047 0.000 1.417 619 I CB -1.236 36.861 38.000 0.162 0.000 1.078 619 I HN 0.339 nan 8.210 nan 0.000 0.421 620 Q N 0.313 120.177 119.800 0.106 0.000 2.124 620 Q HA -0.261 4.079 4.340 0.000 0.000 0.202 620 Q C 2.104 178.138 176.000 0.057 0.000 0.977 620 Q CA 1.701 57.571 55.803 0.112 0.000 0.850 620 Q CB -0.106 28.672 28.738 0.067 0.000 0.901 620 Q HN 0.395 nan 8.270 nan 0.000 0.429 621 E N 1.135 121.331 120.200 -0.006 0.000 2.077 621 E HA -0.207 4.143 4.350 0.000 0.000 0.193 621 E C 1.806 178.319 176.600 -0.145 0.000 0.989 621 E CA 1.500 57.874 56.400 -0.044 0.000 0.800 621 E CB 0.016 29.692 29.700 -0.039 0.000 0.746 621 E HN 0.317 nan 8.360 nan 0.000 0.452 622 Q N -1.135 118.470 119.800 -0.326 0.000 2.084 622 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 622 Q C 1.997 177.660 176.000 -0.561 0.000 0.978 622 Q CA 1.705 57.021 55.803 -0.811 0.000 0.844 622 Q CB -0.267 27.783 28.738 -1.146 0.000 0.898 622 Q HN 0.463 nan 8.270 nan 0.000 0.426 623 Y N 0.135 120.298 120.300 -0.229 0.000 2.293 623 Y HA -0.144 4.406 4.550 0.000 0.000 0.291 623 Y C 2.501 178.362 175.900 -0.066 0.000 1.137 623 Y CA 0.993 59.019 58.100 -0.123 0.000 1.202 623 Y CB -0.009 38.393 38.460 -0.097 0.000 0.990 623 Y HN 0.033 nan 8.280 nan 0.000 0.537 624 R N 0.463 121.004 120.500 0.068 0.000 2.096 624 R HA -0.144 4.196 4.340 0.000 0.000 0.235 624 R C 1.999 178.324 176.300 0.042 0.000 1.127 624 R CA 1.065 57.196 56.100 0.051 0.000 0.968 624 R CB 0.025 30.345 30.300 0.032 0.000 0.861 624 R HN 0.099 nan 8.270 nan 0.000 0.440 625 R N 0.885 121.401 120.500 0.027 0.000 2.241 625 R HA -0.095 4.246 4.340 0.000 0.000 0.224 625 R C 1.817 178.169 176.300 0.087 0.000 1.101 625 R CA 1.069 57.215 56.100 0.077 0.000 0.995 625 R CB -0.352 30.052 30.300 0.173 0.000 0.870 625 R HN 0.533 nan 8.270 nan 0.000 0.463 626 I N -4.502 116.110 120.570 0.069 0.000 3.927 626 I HA 0.433 4.603 4.170 0.000 0.000 0.332 626 I C 0.702 176.867 176.117 0.079 0.000 1.485 626 I CA 0.349 61.694 61.300 0.076 0.000 1.131 626 I CB 0.759 38.801 38.000 0.069 0.000 1.092 626 I HN 0.086 nan 8.210 nan 0.000 0.410 627 G N 1.075 109.916 108.800 0.069 0.000 2.231 627 G HA2 -0.079 3.882 3.960 0.000 0.000 0.206 627 G HA3 -0.079 3.882 3.960 0.000 0.000 0.206 627 G C 0.943 175.877 174.900 0.057 0.000 0.996 627 G CA -0.406 44.729 45.100 0.059 0.000 0.645 627 G HN 1.338 nan 8.290 nan 0.000 0.498 628 G N -1.307 107.541 108.800 0.081 0.000 2.175 628 G HA2 0.531 4.491 3.960 0.000 0.000 0.182 628 G HA3 0.531 4.491 3.960 0.000 0.000 0.182 628 G C 1.272 176.203 174.900 0.052 0.000 1.003 628 G CA 0.843 45.981 45.100 0.065 0.000 0.666 628 G HN 2.611 nan 8.290 nan 0.000 0.506 629 G N -1.305 107.560 108.800 0.107 0.000 2.322 629 G HA2 0.601 4.561 3.960 0.000 0.000 0.295 629 G HA3 0.601 4.561 3.960 0.000 0.000 0.295 629 G C -0.661 174.311 174.900 0.120 0.000 1.369 629 G CA 0.597 45.697 45.100 -0.001 0.000 0.821 629 G HN 1.484 nan 8.290 nan 0.000 0.536 630 S N 0.287 115.964 115.700 -0.039 0.000 2.537 630 S HA 0.644 5.114 4.470 0.000 0.000 0.275 630 S C -1.148 173.487 174.600 0.059 0.000 1.272 630 S CA -0.945 57.309 58.200 0.090 0.000 1.050 630 S CB 1.454 64.629 63.200 -0.042 0.000 0.961 630 S HN 0.478 nan 8.310 nan 0.000 0.496 631 P HA 0.230 nan 4.420 nan 0.000 0.262 631 P C 1.275 178.671 177.300 0.161 0.000 1.304 631 P CA 0.018 63.172 63.100 0.089 0.000 0.859 631 P CB 0.031 31.832 31.700 0.169 0.000 1.310 632 I N 0.776 121.472 120.570 0.210 0.000 2.151 632 I HA -0.282 3.888 4.170 0.000 0.000 0.243 632 I C 2.638 178.929 176.117 0.290 0.000 1.080 632 I CA 1.699 63.157 61.300 0.264 0.000 1.339 632 I CB -0.493 37.580 38.000 0.121 0.000 1.039 632 I HN 0.003 nan 8.210 nan 0.000 0.409 633 K N 1.355 121.904 120.400 0.249 0.000 2.097 633 K HA -0.156 4.164 4.320 0.000 0.000 0.206 633 K C 2.130 178.822 176.600 0.154 0.000 1.049 633 K CA 1.338 57.837 56.287 0.354 0.000 0.933 633 K CB -0.038 32.669 32.500 0.345 0.000 0.717 633 K HN 0.256 nan 8.250 nan 0.000 0.442 634 I N -0.439 120.134 120.570 0.005 0.000 2.179 634 I HA -0.284 3.886 4.170 0.000 0.000 0.242 634 I C 1.925 177.960 176.117 -0.138 0.000 1.088 634 I CA 1.510 62.714 61.300 -0.160 0.000 1.357 634 I CB -0.308 37.458 38.000 -0.391 0.000 1.051 634 I HN 0.353 nan 8.210 nan 0.000 0.409 635 W N 0.668 122.006 121.300 0.064 0.000 2.381 635 W HA -0.162 4.498 4.660 0.000 0.000 0.301 635 W C 2.763 179.287 176.519 0.009 0.000 1.205 635 W CA 0.935 58.304 57.345 0.040 0.000 1.285 635 W CB -0.673 28.817 29.460 0.051 0.000 1.133 635 W HN -0.021 nan 8.180 nan 0.000 0.521 636 T N -0.319 114.386 114.554 0.251 0.000 2.746 636 T HA -0.205 4.145 4.350 0.000 0.000 0.267 636 T C 1.795 176.454 174.700 -0.069 0.000 1.039 636 T CA 1.825 63.981 62.100 0.094 0.000 1.142 636 T CB -0.564 68.394 68.868 0.150 0.000 0.866 636 T HN 0.012 nan 8.240 nan 0.000 0.444 637 S N 0.797 116.486 115.700 -0.020 0.000 2.356 637 S HA -0.085 4.385 4.470 0.000 0.000 0.223 637 S C 2.022 176.515 174.600 -0.179 0.000 1.032 637 S CA 1.147 59.290 58.200 -0.095 0.000 1.005 637 S CB -0.223 63.011 63.200 0.058 0.000 0.867 637 S HN 0.501 nan 8.310 nan 0.000 0.449 638 K N 1.041 121.415 120.400 -0.044 0.000 2.057 638 K HA -0.150 4.170 4.320 0.000 0.000 0.207 638 K C 2.225 178.790 176.600 -0.059 0.000 1.049 638 K CA 1.363 57.647 56.287 -0.005 0.000 0.931 638 K CB -0.124 32.452 32.500 0.128 0.000 0.714 638 K HN 0.370 nan 8.250 nan 0.000 0.440 639 Q N -0.651 119.116 119.800 -0.055 0.000 2.079 639 Q HA -0.073 4.267 4.340 0.000 0.000 0.200 639 Q C 2.169 177.977 176.000 -0.320 0.000 0.974 639 Q CA 1.403 57.125 55.803 -0.135 0.000 0.840 639 Q CB -0.165 28.530 28.738 -0.071 0.000 0.898 639 Q HN 0.511 nan 8.270 nan 0.000 0.430 640 G N 0.993 109.473 108.800 -0.534 0.000 2.418 640 G HA2 -0.317 3.643 3.960 0.000 0.000 0.217 640 G HA3 -0.317 3.643 3.960 0.000 0.000 0.217 640 G C 1.221 175.715 174.900 -0.677 0.000 1.158 640 G CA 0.885 45.442 45.100 -0.905 0.000 0.771 640 G HN 0.376 nan 8.290 nan 0.000 0.545 641 E N 0.180 120.072 120.200 -0.513 0.000 2.051 641 E HA -0.050 4.300 4.350 0.000 0.000 0.192 641 E C 2.671 179.216 176.600 -0.091 0.000 0.991 641 E CA 1.050 57.380 56.400 -0.116 0.000 0.799 641 E CB -0.512 29.174 29.700 -0.024 0.000 0.748 641 E HN 0.318 nan 8.360 nan 0.000 0.449 642 G N 1.288 110.014 108.800 -0.122 0.000 2.418 642 G HA2 -0.304 3.657 3.960 0.000 0.000 0.217 642 G HA3 -0.304 3.657 3.960 0.000 0.000 0.217 642 G C 1.554 176.379 174.900 -0.126 0.000 1.158 642 G CA 0.892 45.933 45.100 -0.098 0.000 0.771 642 G HN 0.308 nan 8.290 nan 0.000 0.545 643 M N 0.379 119.874 119.600 -0.176 0.000 2.086 643 M HA -0.077 4.403 4.480 0.000 0.000 0.261 643 M C 2.493 178.709 176.300 -0.140 0.000 1.067 643 M CA 1.509 56.700 55.300 -0.181 0.000 1.116 643 M CB -0.184 32.295 32.600 -0.202 0.000 1.348 643 M HN 0.087 nan 8.290 nan 0.000 0.407 644 V N 1.092 120.958 119.914 -0.080 0.000 2.343 644 V HA -0.292 3.828 4.120 0.000 0.000 0.247 644 V C 2.191 178.256 176.094 -0.049 0.000 1.051 644 V CA 2.089 64.372 62.300 -0.027 0.000 1.036 644 V CB -0.779 31.102 31.823 0.096 0.000 0.654 644 V HN 0.518 nan 8.190 nan 0.000 0.451 645 K N -0.141 120.234 120.400 -0.042 0.000 2.063 645 K HA -0.151 4.169 4.320 0.000 0.000 0.208 645 K C 2.046 178.605 176.600 -0.068 0.000 1.048 645 K CA 1.476 57.740 56.287 -0.039 0.000 0.928 645 K CB -0.319 32.161 32.500 -0.033 0.000 0.713 645 K HN 0.358 nan 8.250 nan 0.000 0.442 646 L N 0.585 121.747 121.223 -0.102 0.000 2.072 646 L HA -0.147 4.193 4.340 0.000 0.000 0.205 646 L C 2.319 179.079 176.870 -0.184 0.000 1.079 646 L CA 0.934 55.700 54.840 -0.124 0.000 0.752 646 L CB -0.423 41.558 42.059 -0.129 0.000 0.906 646 L HN 0.170 nan 8.230 nan 0.000 0.436 647 L N -0.257 120.807 121.223 -0.264 0.000 2.079 647 L HA -0.254 4.086 4.340 0.000 0.000 0.210 647 L C 2.146 178.803 176.870 -0.354 0.000 1.081 647 L CA 1.105 55.660 54.840 -0.475 0.000 0.752 647 L CB -0.609 40.954 42.059 -0.825 0.000 0.896 647 L HN 0.295 nan 8.230 nan 0.000 0.433 648 D N -0.411 119.922 120.400 -0.112 0.000 2.263 648 D HA -0.153 4.487 4.640 0.000 0.000 0.208 648 D C 2.116 178.421 176.300 0.009 0.000 0.971 648 D CA 0.924 54.975 54.000 0.085 0.000 0.867 648 D CB 0.066 40.917 40.800 0.085 0.000 0.929 648 D HN 0.373 nan 8.370 nan 0.000 0.492 649 E N -0.219 119.945 120.200 -0.059 0.000 2.166 649 E HA 0.084 4.434 4.350 0.000 0.000 0.192 649 E C 2.474 179.012 176.600 -0.104 0.000 0.967 649 E CA -0.022 56.342 56.400 -0.061 0.000 0.840 649 E CB -0.086 29.580 29.700 -0.056 0.000 0.795 649 E HN 0.308 nan 8.360 nan 0.000 0.470 650 L N 0.377 121.482 121.223 -0.196 0.000 2.056 650 L HA 0.005 4.345 4.340 0.000 0.000 0.207 650 L C 1.429 178.045 176.870 -0.423 0.000 1.078 650 L CA 0.848 55.474 54.840 -0.356 0.000 0.749 650 L CB 0.064 41.796 42.059 -0.545 0.000 0.901 650 L HN -0.091 nan 8.230 nan 0.000 0.433 651 S N -0.293 115.243 115.700 -0.272 0.000 2.060 651 S HA 0.277 4.747 4.470 0.000 0.000 0.156 651 S C -1.604 173.051 174.600 0.092 0.000 1.690 651 S CA -1.381 56.778 58.200 -0.069 0.000 1.238 651 S CB 0.541 63.743 63.200 0.003 0.000 1.150 651 S HN -0.033 nan 8.310 nan 0.000 0.437 652 P HA -0.096 nan 4.420 nan 0.000 0.219 652 P C 0.863 178.175 177.300 0.021 0.000 1.146 652 P CA 0.959 64.081 63.100 0.037 0.000 0.808 652 P CB 0.082 31.790 31.700 0.014 0.000 0.779 653 N N -0.183 118.534 118.700 0.028 0.000 2.381 653 N HA -0.060 4.680 4.740 0.000 0.000 0.182 653 N C 1.467 176.966 175.510 -0.018 0.000 1.025 653 N CA 1.791 54.846 53.050 0.008 0.000 0.888 653 N CB -0.552 37.948 38.487 0.022 0.000 0.965 653 N HN 0.367 nan 8.380 nan 0.000 0.438 654 T N -3.320 111.223 114.554 -0.019 0.000 3.044 654 T HA 0.521 4.872 4.350 0.000 0.000 0.260 654 T C 0.569 174.989 174.700 -0.466 0.000 1.019 654 T CA -0.521 61.503 62.100 -0.128 0.000 0.921 654 T CB 0.376 69.251 68.868 0.013 0.000 1.053 654 T HN 0.096 nan 8.240 nan 0.000 0.533 655 A N 3.164 125.786 122.820 -0.330 0.000 2.304 655 A HA 0.688 5.008 4.320 0.000 0.000 0.271 655 A C -2.314 175.141 177.584 -0.216 0.000 1.091 655 A CA -1.693 50.121 52.037 -0.372 0.000 0.812 655 A CB 0.149 19.137 19.000 -0.021 0.000 1.056 655 A HN 0.325 nan 8.150 nan 0.000 0.489 656 P HA 0.334 nan 4.420 nan 0.000 0.278 656 P C -1.085 176.084 177.300 -0.219 0.000 1.238 656 P CA 0.064 63.090 63.100 -0.122 0.000 0.794 656 P CB 0.634 32.306 31.700 -0.046 0.000 0.955 657 H N 0.097 119.162 119.070 -0.008 0.000 2.479 657 H HA 0.591 5.148 4.556 0.000 0.000 0.335 657 H C 0.318 175.647 175.328 0.003 0.000 1.142 657 H CA -0.341 55.712 56.048 0.009 0.000 1.234 657 H CB 1.430 31.198 29.762 0.011 0.000 1.503 657 H HN 0.319 nan 8.280 nan 0.000 0.510 658 K N 2.006 122.484 120.400 0.130 0.000 2.468 658 K HA 0.270 4.590 4.320 0.000 0.000 0.252 658 K C -1.505 175.092 176.600 -0.004 0.000 0.932 658 K CA -0.957 55.306 56.287 -0.039 0.000 0.794 658 K CB 1.345 33.732 32.500 -0.188 0.000 1.241 658 K HN 0.651 nan 8.250 nan 0.000 0.428 659 Y N 1.400 121.606 120.300 -0.157 0.000 2.387 659 Y HA 0.580 5.130 4.550 0.000 0.000 0.330 659 Y C -1.633 174.122 175.900 -0.243 0.000 1.133 659 Y CA -0.769 57.292 58.100 -0.066 0.000 1.152 659 Y CB 0.807 39.234 38.460 -0.054 0.000 1.215 659 Y HN 0.379 nan 8.280 nan 0.000 0.466 660 Y N 3.698 124.021 120.300 0.039 0.000 2.442 660 Y HA 0.534 5.084 4.550 0.000 0.000 0.344 660 Y C -0.529 175.388 175.900 0.027 0.000 0.976 660 Y CA -1.460 56.602 58.100 -0.063 0.000 1.040 660 Y CB 1.738 40.168 38.460 -0.049 0.000 1.228 660 Y HN 0.590 nan 8.280 nan 0.000 0.451 661 I N 2.531 123.144 120.570 0.073 0.000 2.365 661 I HA 0.492 4.662 4.170 0.000 0.000 0.291 661 I C 0.514 176.508 176.117 -0.205 0.000 1.004 661 I CA -0.347 60.864 61.300 -0.147 0.000 1.311 661 I CB 1.227 38.995 38.000 -0.387 0.000 1.401 661 I HN 0.886 nan 8.210 nan 0.000 0.491 662 G N 6.941 115.622 108.800 -0.198 0.000 3.114 662 G HA2 0.492 4.452 3.960 0.000 0.000 0.320 662 G HA3 0.492 4.452 3.960 0.000 0.000 0.320 662 G C -0.720 174.174 174.900 -0.010 0.000 1.453 662 G CA -0.305 44.748 45.100 -0.078 0.000 1.084 662 G HN 0.413 nan 8.290 nan 0.000 0.516 663 F N 0.888 120.864 119.950 0.044 0.000 2.384 663 F HA 0.344 4.871 4.527 0.000 0.000 0.338 663 F C 1.831 177.597 175.800 -0.058 0.000 1.103 663 F CA -1.020 56.989 58.000 0.014 0.000 1.157 663 F CB 2.109 41.132 39.000 0.038 0.000 1.167 663 F HN 0.326 nan 8.300 nan 0.000 0.529 664 R N 1.546 122.066 120.500 0.033 0.000 2.062 664 R HA -0.105 4.235 4.340 0.000 0.000 0.229 664 R C 0.654 176.746 176.300 -0.348 0.000 1.128 664 R CA 1.534 57.433 56.100 -0.335 0.000 0.960 664 R CB -0.037 29.780 30.300 -0.806 0.000 0.855 664 R HN 0.690 nan 8.270 nan 0.000 0.432 665 Y N -0.824 119.574 120.300 0.163 0.000 2.531 665 Y HA 0.227 4.777 4.550 0.000 0.000 0.249 665 Y C 0.014 175.998 175.900 0.141 0.000 1.168 665 Y CA -0.966 57.212 58.100 0.130 0.000 1.226 665 Y CB 1.124 39.658 38.460 0.123 0.000 1.177 665 Y HN -0.163 nan 8.280 nan 0.000 0.527 666 V N -4.193 115.839 119.914 0.198 0.000 3.159 666 V HA 0.466 4.586 4.120 0.000 0.000 0.308 666 V C -0.566 175.595 176.094 0.112 0.000 1.190 666 V CA -1.362 60.987 62.300 0.081 0.000 1.037 666 V CB 1.613 33.444 31.823 0.014 0.000 1.060 666 V HN -0.035 nan 8.190 nan 0.000 0.437 667 H N 2.432 121.633 119.070 0.218 0.000 2.683 667 H HA 0.405 4.961 4.556 0.001 0.000 0.339 667 H C -2.339 173.154 175.328 0.275 0.000 1.081 667 H CA -1.195 54.971 56.048 0.197 0.000 1.432 667 H CB 1.444 31.280 29.762 0.124 0.000 1.462 667 H HN 0.582 nan 8.280 nan 0.000 0.557 668 P HA 0.146 nan 4.420 nan 0.000 0.282 668 P C -0.026 177.369 177.300 0.157 0.000 1.262 668 P CA -0.340 62.883 63.100 0.204 0.000 0.773 668 P CB 0.984 32.722 31.700 0.064 0.000 0.879 669 L N 2.470 123.796 121.223 0.171 0.000 2.452 669 L HA 0.080 4.420 4.340 0.000 0.000 0.267 669 L C 2.124 179.021 176.870 0.045 0.000 1.188 669 L CA -0.148 54.752 54.840 0.099 0.000 0.821 669 L CB -0.251 41.854 42.059 0.077 0.000 1.102 669 L HN 0.388 nan 8.230 nan 0.000 0.470 670 T N -0.077 114.490 114.554 0.022 0.000 2.653 670 T HA -0.216 4.134 4.350 0.000 0.000 0.268 670 T C 1.547 176.183 174.700 -0.107 0.000 1.035 670 T CA 1.841 63.928 62.100 -0.022 0.000 1.154 670 T CB -0.167 68.689 68.868 -0.019 0.000 0.862 670 T HN 0.578 nan 8.240 nan 0.000 0.441 671 E N 1.184 121.327 120.200 -0.094 0.000 2.110 671 E HA -0.111 4.240 4.350 0.000 0.000 0.193 671 E C 2.289 178.781 176.600 -0.179 0.000 0.988 671 E CA 1.126 57.416 56.400 -0.182 0.000 0.804 671 E CB -0.252 29.489 29.700 0.067 0.000 0.745 671 E HN 0.636 nan 8.360 nan 0.000 0.458 672 E N 0.290 120.472 120.200 -0.031 0.000 2.106 672 E HA -0.105 4.245 4.350 0.000 0.000 0.192 672 E C 2.057 178.638 176.600 -0.031 0.000 0.984 672 E CA 0.845 57.250 56.400 0.009 0.000 0.806 672 E CB -0.145 29.609 29.700 0.091 0.000 0.750 672 E HN 0.278 nan 8.360 nan 0.000 0.458 673 A N 1.465 124.258 122.820 -0.044 0.000 1.873 673 A HA -0.159 4.161 4.320 0.000 0.000 0.215 673 A C 2.204 179.702 177.584 -0.144 0.000 1.186 673 A CA 1.039 53.061 52.037 -0.026 0.000 0.616 673 A CB -0.590 18.415 19.000 0.008 0.000 0.823 673 A HN 0.122 nan 8.150 nan 0.000 0.442 674 I N -0.360 120.064 120.570 -0.244 0.000 2.226 674 I HA -0.270 3.900 4.170 0.000 0.000 0.245 674 I C 2.477 178.432 176.117 -0.270 0.000 1.100 674 I CA 1.559 62.673 61.300 -0.310 0.000 1.374 674 I CB -0.503 37.064 38.000 -0.722 0.000 1.057 674 I HN 0.439 nan 8.210 nan 0.000 0.413 675 E N 0.539 120.583 120.200 -0.261 0.000 2.085 675 E HA -0.295 4.056 4.350 0.000 0.000 0.194 675 E C 2.108 178.701 176.600 -0.011 0.000 0.994 675 E CA 1.446 57.820 56.400 -0.043 0.000 0.801 675 E CB -0.132 29.584 29.700 0.027 0.000 0.743 675 E HN 0.492 nan 8.360 nan 0.000 0.453 676 E N 0.478 120.665 120.200 -0.021 0.000 2.072 676 E HA -0.177 4.173 4.350 0.000 0.000 0.191 676 E C 2.115 178.713 176.600 -0.002 0.000 0.985 676 E CA 0.783 57.207 56.400 0.041 0.000 0.801 676 E CB 0.044 29.825 29.700 0.134 0.000 0.750 676 E HN 0.219 nan 8.360 nan 0.000 0.452 677 M N 0.542 119.999 119.600 -0.239 0.000 2.117 677 M HA -0.160 4.320 4.480 0.000 0.000 0.262 677 M C 2.111 178.324 176.300 -0.146 0.000 1.065 677 M CA 1.276 56.313 55.300 -0.439 0.000 1.114 677 M CB -0.111 32.091 32.600 -0.664 0.000 1.361 677 M HN 0.008 nan 8.290 nan 0.000 0.408 678 E N 0.353 120.526 120.200 -0.044 0.000 2.072 678 E HA -0.129 4.221 4.350 0.000 0.000 0.191 678 E C 2.062 178.686 176.600 0.040 0.000 0.985 678 E CA 1.119 57.546 56.400 0.045 0.000 0.801 678 E CB -0.276 29.507 29.700 0.139 0.000 0.750 678 E HN 0.541 nan 8.360 nan 0.000 0.452 679 R N 0.790 121.312 120.500 0.038 0.000 2.096 679 R HA -0.098 4.242 4.340 0.000 0.000 0.235 679 R C 1.578 177.899 176.300 0.036 0.000 1.127 679 R CA 1.123 57.248 56.100 0.041 0.000 0.968 679 R CB -0.092 30.234 30.300 0.043 0.000 0.861 679 R HN 0.089 nan 8.270 nan 0.000 0.440 680 D N -0.289 120.136 120.400 0.043 0.000 2.371 680 D HA -0.006 4.635 4.640 0.000 0.000 0.221 680 D C 0.870 177.185 176.300 0.024 0.000 0.986 680 D CA 1.000 55.030 54.000 0.050 0.000 0.899 680 D CB -0.040 40.829 40.800 0.116 0.000 0.902 680 D HN 0.421 nan 8.370 nan 0.000 0.530 681 G N 1.160 109.967 108.800 0.012 0.000 2.295 681 G HA2 -0.302 3.659 3.960 0.000 0.000 0.287 681 G HA3 -0.302 3.659 3.960 0.000 0.000 0.287 681 G C 0.234 175.122 174.900 -0.019 0.000 1.055 681 G CA -0.055 45.045 45.100 -0.000 0.000 0.922 681 G HN 0.320 nan 8.290 nan 0.000 0.503 682 L N -0.871 120.328 121.223 -0.039 0.000 2.467 682 L HA 0.254 4.594 4.340 0.000 0.000 0.270 682 L C 1.718 178.537 176.870 -0.084 0.000 1.205 682 L CA -0.116 54.685 54.840 -0.066 0.000 0.828 682 L CB 0.459 42.453 42.059 -0.109 0.000 1.101 682 L HN 0.319 nan 8.230 nan 0.000 0.479 683 E N 1.071 121.220 120.200 -0.085 0.000 2.140 683 E HA 0.087 4.437 4.350 0.000 0.000 0.191 683 E C 0.122 176.655 176.600 -0.113 0.000 0.973 683 E CA 0.621 56.972 56.400 -0.082 0.000 0.829 683 E CB 0.451 30.111 29.700 -0.067 0.000 0.781 683 E HN 0.452 nan 8.360 nan 0.000 0.466 684 R N -0.323 120.097 120.500 -0.134 0.000 2.744 684 R HA 0.643 4.983 4.340 0.000 0.000 0.279 684 R C -1.407 174.738 176.300 -0.258 0.000 0.977 684 R CA -0.556 55.445 56.100 -0.165 0.000 0.906 684 R CB 2.277 32.528 30.300 -0.082 0.000 1.197 684 R HN -0.059 nan 8.270 nan 0.000 0.463 685 A N 3.458 126.021 122.820 -0.428 0.000 2.359 685 A HA 0.623 4.943 4.320 0.000 0.000 0.303 685 A C -0.744 176.651 177.584 -0.314 0.000 1.066 685 A CA -0.648 50.992 52.037 -0.660 0.000 0.730 685 A CB 0.859 18.838 19.000 -1.701 0.000 1.211 685 A HN 0.644 nan 8.150 nan 0.000 0.439 686 I N 2.377 122.918 120.570 -0.047 0.000 2.382 686 I HA 0.442 4.612 4.170 0.000 0.000 0.286 686 I C 0.636 176.945 176.117 0.319 0.000 1.002 686 I CA -0.476 60.931 61.300 0.177 0.000 1.135 686 I CB 1.979 40.031 38.000 0.085 0.000 1.288 686 I HN 0.728 nan 8.210 nan 0.000 0.448 687 A N 7.638 130.768 122.820 0.517 0.000 2.437 687 A HA 0.277 4.597 4.320 0.000 0.000 0.303 687 A C -0.518 177.258 177.584 0.320 0.000 1.324 687 A CA -0.022 52.313 52.037 0.497 0.000 0.983 687 A CB -0.322 18.989 19.000 0.519 0.000 1.142 687 A HN 0.738 nan 8.150 nan 0.000 0.541 688 F N 3.988 124.005 119.950 0.111 0.000 2.303 688 F HA 0.247 4.774 4.527 0.000 0.000 0.368 688 F C 0.824 176.693 175.800 0.115 0.000 1.105 688 F CA -0.685 57.332 58.000 0.029 0.000 1.153 688 F CB 0.651 39.618 39.000 -0.055 0.000 1.362 688 F HN 0.510 nan 8.300 nan 0.000 0.511 689 T N 3.969 118.811 114.554 0.480 0.000 2.930 689 T HA -0.000 4.350 4.350 0.000 0.000 0.306 689 T C 0.884 175.748 174.700 0.273 0.000 1.045 689 T CA -0.275 62.035 62.100 0.351 0.000 1.134 689 T CB 1.019 70.139 68.868 0.420 0.000 0.961 689 T HN 0.662 nan 8.240 nan 0.000 0.545 690 Q N 3.047 122.871 119.800 0.039 0.000 2.320 690 Q HA 0.103 4.444 4.340 0.000 0.000 0.201 690 Q C -0.802 175.078 176.000 -0.201 0.000 0.910 690 Q CA 0.327 56.070 55.803 -0.100 0.000 0.946 690 Q CB 0.145 28.698 28.738 -0.310 0.000 1.062 690 Q HN 0.733 nan 8.270 nan 0.000 0.503 691 Y N 0.528 120.857 120.300 0.049 0.000 2.404 691 Y HA 0.197 4.747 4.550 0.001 0.000 0.344 691 Y C -1.414 174.315 175.900 -0.285 0.000 0.970 691 Y CA -2.258 55.806 58.100 -0.060 0.000 1.180 691 Y CB 1.213 39.697 38.460 0.041 0.000 1.138 691 Y HN 0.009 nan 8.280 nan 0.000 0.510 692 P HA -0.130 nan 4.420 nan 0.000 0.218 692 P C -0.523 176.567 177.300 -0.350 0.000 1.149 692 P CA 1.307 63.727 63.100 -1.133 0.000 0.817 692 P CB 0.335 31.419 31.700 -1.027 0.000 0.785 693 Q N -1.353 118.432 119.800 -0.027 0.000 2.293 693 Q HA 0.321 4.661 4.340 0.000 0.000 0.261 693 Q C -0.881 175.299 176.000 0.299 0.000 0.960 693 Q CA -0.647 55.243 55.803 0.146 0.000 0.882 693 Q CB 0.678 29.486 28.738 0.116 0.000 1.275 693 Q HN 0.115 nan 8.270 nan 0.000 0.445 694 Y N 1.441 121.844 120.300 0.173 0.000 2.402 694 Y HA 0.345 4.895 4.550 0.000 0.000 0.333 694 Y C -0.257 175.736 175.900 0.155 0.000 1.076 694 Y CA 0.339 58.527 58.100 0.146 0.000 1.299 694 Y CB 0.757 39.283 38.460 0.110 0.000 1.197 694 Y HN 0.596 nan 8.280 nan 0.000 0.517 695 S N 4.348 119.811 115.700 -0.394 0.000 2.536 695 S HA 0.284 4.755 4.470 0.000 0.000 0.287 695 S C 0.227 174.450 174.600 -0.629 0.000 1.101 695 S CA -0.926 57.071 58.200 -0.338 0.000 0.950 695 S CB 0.751 63.636 63.200 -0.525 0.000 1.056 695 S HN 0.958 nan 8.310 nan 0.000 0.481 696 C N 2.575 121.711 119.300 -0.273 0.000 2.432 696 C HA 0.052 4.513 4.460 0.000 0.000 0.282 696 C C 2.453 177.303 174.990 -0.233 0.000 1.388 696 C CA 0.617 59.523 59.018 -0.186 0.000 1.777 696 C CB -1.429 26.321 27.740 0.016 0.000 1.882 696 C HN 0.851 nan 8.230 nan 0.000 0.520 697 S N 0.365 115.896 115.700 -0.282 0.000 2.528 697 S HA -0.044 4.426 4.470 0.000 0.000 0.219 697 S C 1.724 176.129 174.600 -0.325 0.000 0.985 697 S CA 1.337 59.383 58.200 -0.257 0.000 0.914 697 S CB -0.123 62.922 63.200 -0.259 0.000 0.776 697 S HN 0.912 nan 8.310 nan 0.000 0.526 698 T N -1.299 112.963 114.554 -0.485 0.000 3.518 698 T HA 0.084 4.434 4.350 0.000 0.000 0.211 698 T C 1.811 176.243 174.700 -0.447 0.000 0.940 698 T CA 0.665 62.382 62.100 -0.639 0.000 1.307 698 T CB -1.032 67.089 68.868 -1.245 0.000 1.392 698 T HN 0.028 nan 8.240 nan 0.000 0.382 699 T N 1.694 115.952 114.554 -0.494 0.000 2.746 699 T HA 0.075 4.425 4.350 0.000 0.000 0.267 699 T C 2.199 176.769 174.700 -0.217 0.000 1.039 699 T CA 1.590 63.550 62.100 -0.234 0.000 1.142 699 T CB -1.174 67.558 68.868 -0.226 0.000 0.866 699 T HN 0.616 nan 8.240 nan 0.000 0.444 700 G N 0.605 109.142 108.800 -0.439 0.000 2.440 700 G HA2 -0.245 3.716 3.960 0.000 0.000 0.218 700 G HA3 -0.245 3.716 3.960 0.000 0.000 0.218 700 G C 1.860 176.742 174.900 -0.031 0.000 1.154 700 G CA 1.305 46.334 45.100 -0.119 0.000 0.767 700 G HN 0.521 nan 8.290 nan 0.000 0.552 701 S N 0.102 115.750 115.700 -0.087 0.000 2.370 701 S HA -0.107 4.363 4.470 0.000 0.000 0.226 701 S C 2.663 177.261 174.600 -0.003 0.000 1.033 701 S CA 1.921 60.102 58.200 -0.032 0.000 1.011 701 S CB -0.345 62.822 63.200 -0.054 0.000 0.852 701 S HN 0.312 nan 8.310 nan 0.000 0.457 702 S N 1.157 116.857 115.700 0.001 0.000 2.387 702 S HA 0.142 4.612 4.470 0.000 0.000 0.226 702 S C 1.744 176.393 174.600 0.082 0.000 1.026 702 S CA 0.942 59.167 58.200 0.043 0.000 0.972 702 S CB -0.331 62.926 63.200 0.095 0.000 0.814 702 S HN 0.463 nan 8.310 nan 0.000 0.477 703 L N 1.665 122.955 121.223 0.113 0.000 2.093 703 L HA -0.093 4.247 4.340 0.000 0.000 0.208 703 L C 2.063 179.049 176.870 0.194 0.000 1.085 703 L CA 0.764 55.724 54.840 0.200 0.000 0.755 703 L CB -0.710 41.474 42.059 0.207 0.000 0.904 703 L HN 0.259 nan 8.230 nan 0.000 0.435 704 N N 0.722 119.504 118.700 0.138 0.000 2.166 704 N HA -0.166 4.574 4.740 0.000 0.000 0.186 704 N C 1.911 177.487 175.510 0.109 0.000 1.019 704 N CA 1.551 54.686 53.050 0.142 0.000 0.856 704 N CB -0.298 38.255 38.487 0.109 0.000 0.993 704 N HN 0.306 nan 8.380 nan 0.000 0.426 705 A N 1.202 124.056 122.820 0.056 0.000 1.940 705 A HA -0.087 4.234 4.320 0.000 0.000 0.219 705 A C 2.320 179.878 177.584 -0.044 0.000 1.176 705 A CA 0.925 52.971 52.037 0.015 0.000 0.631 705 A CB -0.607 18.395 19.000 0.005 0.000 0.814 705 A HN 0.226 nan 8.150 nan 0.000 0.446 706 I N -2.035 118.485 120.570 -0.082 0.000 2.202 706 I HA -0.235 3.935 4.170 0.000 0.000 0.242 706 I C 2.493 178.373 176.117 -0.396 0.000 1.091 706 I CA 1.756 62.902 61.300 -0.256 0.000 1.368 706 I CB -0.528 37.281 38.000 -0.319 0.000 1.058 706 I HN 0.554 nan 8.210 nan 0.000 0.410 707 Y N 2.224 122.193 120.300 -0.552 0.000 2.128 707 Y HA -0.243 4.307 4.550 0.001 0.000 0.284 707 Y C 2.676 178.404 175.900 -0.287 0.000 1.154 707 Y CA 1.552 59.248 58.100 -0.673 0.000 1.149 707 Y CB -0.394 37.826 38.460 -0.401 0.000 0.976 707 Y HN -0.055 nan 8.280 nan 0.000 0.505 708 R N -1.156 119.119 120.500 -0.374 0.000 2.120 708 R HA -0.210 4.130 4.340 0.000 0.000 0.234 708 R C 2.128 178.253 176.300 -0.291 0.000 1.123 708 R CA 1.498 57.372 56.100 -0.377 0.000 0.975 708 R CB -0.815 29.427 30.300 -0.097 0.000 0.866 708 R HN 0.531 nan 8.270 nan 0.000 0.446 709 Y N 0.478 120.570 120.300 -0.346 0.000 2.097 709 Y HA -0.308 4.242 4.550 0.000 0.000 0.282 709 Y C 1.708 177.378 175.900 -0.383 0.000 1.152 709 Y CA 1.589 59.471 58.100 -0.362 0.000 1.136 709 Y CB -0.564 37.614 38.460 -0.469 0.000 0.975 709 Y HN -0.008 nan 8.280 nan 0.000 0.498 710 Y N 0.095 120.227 120.300 -0.280 0.000 2.352 710 Y HA -0.208 4.342 4.550 0.000 0.000 0.292 710 Y C 2.612 178.319 175.900 -0.323 0.000 1.136 710 Y CA 1.649 59.577 58.100 -0.287 0.000 1.227 710 Y CB -0.577 37.815 38.460 -0.113 0.000 0.991 710 Y HN 0.329 nan 8.280 nan 0.000 0.545 711 N N -0.019 118.508 118.700 -0.288 0.000 2.331 711 N HA -0.204 4.536 4.740 0.000 0.000 0.180 711 N C 1.923 177.301 175.510 -0.221 0.000 1.019 711 N CA 0.533 53.413 53.050 -0.283 0.000 0.881 711 N CB 0.006 38.208 38.487 -0.476 0.000 0.972 711 N HN 0.435 nan 8.380 nan 0.000 0.435 712 Q N 0.198 119.836 119.800 -0.269 0.000 2.212 712 Q HA 0.004 4.344 4.340 0.000 0.000 0.199 712 Q C 1.666 177.522 176.000 -0.240 0.000 0.950 712 Q CA 0.526 56.196 55.803 -0.222 0.000 0.863 712 Q CB 0.332 28.944 28.738 -0.211 0.000 0.944 712 Q HN 0.172 nan 8.270 nan 0.000 0.465 713 V N 0.002 119.704 119.914 -0.353 0.000 3.623 713 V HA 0.160 4.280 4.120 0.000 0.000 0.271 713 V C 0.943 176.943 176.094 -0.156 0.000 1.248 713 V CA 1.218 63.330 62.300 -0.313 0.000 1.156 713 V CB -0.469 31.034 31.823 -0.534 0.000 0.870 713 V HN 0.630 nan 8.190 nan 0.000 0.453 714 G N 1.468 110.195 108.800 -0.121 0.000 2.258 714 G HA2 -0.310 3.650 3.960 0.000 0.000 0.274 714 G HA3 -0.310 3.650 3.960 0.000 0.000 0.274 714 G C 0.251 175.143 174.900 -0.013 0.000 1.021 714 G CA 0.894 45.961 45.100 -0.056 0.000 0.798 714 G HN 0.611 nan 8.290 nan 0.000 0.507 715 R N -1.004 119.507 120.500 0.019 0.000 2.795 715 R HA 0.549 4.889 4.340 0.000 0.000 0.275 715 R C -0.341 176.052 176.300 0.156 0.000 0.981 715 R CA -1.174 54.974 56.100 0.080 0.000 0.917 715 R CB 1.389 31.744 30.300 0.091 0.000 1.202 715 R HN -0.022 nan 8.270 nan 0.000 0.469 716 K N 1.654 122.114 120.400 0.100 0.000 2.118 716 K HA 0.343 4.664 4.320 0.000 0.000 0.264 716 K C -2.383 174.229 176.600 0.020 0.000 1.000 716 K CA -2.202 54.104 56.287 0.031 0.000 0.929 716 K CB 0.675 33.178 32.500 0.004 0.000 1.021 716 K HN 0.285 nan 8.250 nan 0.000 0.463 717 P HA 0.007 nan 4.420 nan 0.000 0.268 717 P C 0.462 177.801 177.300 0.065 0.000 1.205 717 P CA 0.239 63.265 63.100 -0.123 0.000 0.771 717 P CB 0.388 31.952 31.700 -0.227 0.000 0.858 718 T N -1.201 113.443 114.554 0.149 0.000 3.105 718 T HA 0.337 4.687 4.350 0.000 0.000 0.253 718 T C 0.493 175.210 174.700 0.028 0.000 1.047 718 T CA 0.063 62.210 62.100 0.078 0.000 0.944 718 T CB -0.442 68.480 68.868 0.090 0.000 1.016 718 T HN 0.193 nan 8.240 nan 0.000 0.544 719 M N 0.706 120.314 119.600 0.013 0.000 2.644 719 M HA 0.505 4.985 4.480 0.000 0.000 0.304 719 M C -0.798 175.428 176.300 -0.123 0.000 1.215 719 M CA -0.980 54.254 55.300 -0.112 0.000 0.871 719 M CB 2.590 35.025 32.600 -0.274 0.000 1.740 719 M HN -0.241 nan 8.290 nan 0.000 0.464 720 K N 1.143 121.455 120.400 -0.146 0.000 2.262 720 K HA 0.312 4.633 4.320 0.000 0.000 0.282 720 K C -1.574 174.973 176.600 -0.089 0.000 1.066 720 K CA -0.073 56.169 56.287 -0.075 0.000 0.901 720 K CB 0.792 33.262 32.500 -0.051 0.000 1.089 720 K HN 0.441 nan 8.250 nan 0.000 0.476 721 W N 1.313 122.598 121.300 -0.025 0.000 2.448 721 W HA 0.275 4.935 4.660 0.001 0.000 0.339 721 W C 0.480 177.110 176.519 0.185 0.000 1.124 721 W CA 0.112 57.513 57.345 0.094 0.000 1.262 721 W CB 1.552 31.045 29.460 0.055 0.000 1.251 721 W HN 0.613 nan 8.180 nan 0.000 0.597 722 S N 0.231 116.349 115.700 0.697 0.000 2.611 722 S HA 0.740 5.210 4.470 0.000 0.000 0.268 722 S C -1.103 173.840 174.600 0.571 0.000 1.156 722 S CA -0.949 57.618 58.200 0.611 0.000 0.817 722 S CB 1.936 65.415 63.200 0.465 0.000 1.122 722 S HN 0.461 nan 8.310 nan 0.000 0.466 723 T N 0.293 115.018 114.554 0.285 0.000 2.916 723 T HA 0.629 4.980 4.350 0.000 0.000 0.305 723 T C -1.632 172.983 174.700 -0.141 0.000 1.119 723 T CA -0.715 61.373 62.100 -0.019 0.000 1.008 723 T CB 0.932 69.539 68.868 -0.435 0.000 1.129 723 T HN 0.665 nan 8.240 nan 0.000 0.480 724 I N 5.087 125.523 120.570 -0.222 0.000 2.361 724 I HA 0.268 4.438 4.170 0.000 0.000 0.282 724 I C 0.999 177.204 176.117 0.145 0.000 1.075 724 I CA -0.526 60.657 61.300 -0.195 0.000 1.205 724 I CB 1.009 38.684 38.000 -0.542 0.000 1.406 724 I HN 0.735 nan 8.210 nan 0.000 0.481 725 D N 6.480 126.978 120.400 0.163 0.000 2.348 725 D HA -0.018 4.622 4.640 0.000 0.000 0.211 725 D C 0.557 177.118 176.300 0.434 0.000 0.998 725 D CA 0.132 54.298 54.000 0.276 0.000 0.873 725 D CB 0.610 41.508 40.800 0.164 0.000 0.925 725 D HN 0.544 nan 8.370 nan 0.000 0.524 726 R N -0.975 119.798 120.500 0.455 0.000 2.709 726 R HA 0.346 4.687 4.340 0.000 0.000 0.270 726 R C -1.665 174.991 176.300 0.594 0.000 1.038 726 R CA -1.026 55.348 56.100 0.457 0.000 0.872 726 R CB 0.270 30.753 30.300 0.305 0.000 1.259 726 R HN 0.156 nan 8.270 nan 0.000 0.473 727 W N 0.367 121.796 121.300 0.215 0.000 0.667 727 W HA 0.227 4.887 4.660 0.001 0.000 0.318 727 W C -2.635 174.013 176.519 0.215 0.000 0.864 727 W CA -1.401 56.070 57.345 0.209 0.000 1.195 727 W CB -0.362 29.231 29.460 0.222 0.000 1.170 727 W HN 0.507 nan 8.180 nan 0.000 0.511 728 P HA -0.140 nan 4.420 nan 0.000 0.222 728 P C 1.214 178.588 177.300 0.122 0.000 1.147 728 P CA 2.337 65.471 63.100 0.056 0.000 0.790 728 P CB 0.011 31.738 31.700 0.046 0.000 0.780 729 T N -5.674 108.994 114.554 0.191 0.000 3.252 729 T HA 0.056 4.407 4.350 0.000 0.000 0.286 729 T C 0.610 175.450 174.700 0.234 0.000 1.013 729 T CA -0.537 61.666 62.100 0.171 0.000 0.914 729 T CB -1.092 67.839 68.868 0.104 0.000 1.131 729 T HN 0.101 nan 8.240 nan 0.000 0.529 730 H N 3.247 122.482 119.070 0.275 0.000 3.125 730 H HA -0.051 4.505 4.556 0.000 0.000 0.310 730 H C 1.752 177.207 175.328 0.211 0.000 0.980 730 H CA 0.918 57.134 56.048 0.280 0.000 1.422 730 H CB 0.670 30.635 29.762 0.339 0.000 1.432 730 H HN 0.553 nan 8.280 nan 0.000 0.577 731 H N 5.163 124.071 119.070 -0.271 0.000 2.426 731 H HA -0.146 4.410 4.556 0.000 0.000 0.298 731 H C 1.646 177.015 175.328 0.068 0.000 1.107 731 H CA 1.429 57.424 56.048 -0.089 0.000 1.298 731 H CB -0.163 29.513 29.762 -0.143 0.000 1.377 731 H HN 0.590 nan 8.280 nan 0.000 0.519 732 L N -0.015 120.973 121.223 -0.392 0.000 2.240 732 L HA -0.067 4.273 4.340 0.000 0.000 0.211 732 L C 2.790 179.712 176.870 0.087 0.000 1.106 732 L CA 0.489 55.255 54.840 -0.125 0.000 0.793 732 L CB -0.259 41.733 42.059 -0.112 0.000 0.927 732 L HN 0.187 nan 8.230 nan 0.000 0.446 733 L N 0.091 121.471 121.223 0.262 0.000 2.027 733 L HA -0.182 4.159 4.340 0.000 0.000 0.206 733 L C 2.386 179.296 176.870 0.067 0.000 1.074 733 L CA 1.749 56.696 54.840 0.179 0.000 0.745 733 L CB -0.360 41.935 42.059 0.392 0.000 0.898 733 L HN 0.034 nan 8.230 nan 0.000 0.433 734 I N -0.163 120.517 120.570 0.184 0.000 2.226 734 I HA -0.309 3.861 4.170 0.000 0.000 0.245 734 I C 2.579 178.772 176.117 0.127 0.000 1.100 734 I CA 1.624 63.043 61.300 0.200 0.000 1.374 734 I CB -1.439 36.646 38.000 0.142 0.000 1.057 734 I HN 0.570 nan 8.210 nan 0.000 0.413 735 Q N 0.163 120.005 119.800 0.070 0.000 2.084 735 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 735 Q C 2.611 178.616 176.000 0.008 0.000 0.978 735 Q CA 2.190 58.020 55.803 0.044 0.000 0.844 735 Q CB 0.021 28.779 28.738 0.034 0.000 0.898 735 Q HN 0.509 nan 8.270 nan 0.000 0.426 736 C N -0.167 119.086 119.300 -0.078 0.000 2.432 736 C HA -0.126 4.334 4.460 0.000 0.000 0.277 736 C C 2.295 177.129 174.990 -0.259 0.000 1.249 736 C CA 0.667 59.543 59.018 -0.237 0.000 1.725 736 C CB -1.254 26.239 27.740 -0.412 0.000 2.028 736 C HN 0.579 nan 8.230 nan 0.000 0.477 737 F N 1.357 121.225 119.950 -0.137 0.000 2.102 737 F HA -0.174 4.353 4.527 0.001 0.000 0.298 737 F C 2.620 178.414 175.800 -0.010 0.000 1.105 737 F CA 1.229 59.175 58.000 -0.090 0.000 1.239 737 F CB -0.543 38.438 39.000 -0.031 0.000 0.991 737 F HN 0.175 nan 8.300 nan 0.000 0.474 738 A N 0.045 122.984 122.820 0.199 0.000 1.908 738 A HA -0.230 4.091 4.320 0.000 0.000 0.218 738 A C 1.844 179.488 177.584 0.100 0.000 1.181 738 A CA 2.178 54.284 52.037 0.116 0.000 0.627 738 A CB -0.845 18.198 19.000 0.071 0.000 0.818 738 A HN 0.279 nan 8.150 nan 0.000 0.445 739 D N -0.959 119.503 120.400 0.104 0.000 2.104 739 D HA -0.143 4.497 4.640 0.000 0.000 0.194 739 D C 1.751 178.157 176.300 0.177 0.000 0.994 739 D CA 1.594 55.668 54.000 0.122 0.000 0.830 739 D CB -0.494 40.389 40.800 0.138 0.000 0.959 739 D HN 0.581 nan 8.370 nan 0.000 0.452 740 H N -0.076 118.997 119.070 0.004 0.000 2.423 740 H HA 0.070 4.626 4.556 0.000 0.000 0.297 740 H C 2.196 177.517 175.328 -0.011 0.000 1.075 740 H CA 0.471 56.513 56.048 -0.009 0.000 1.342 740 H CB -0.274 29.490 29.762 0.003 0.000 1.395 740 H HN 0.189 nan 8.280 nan 0.000 0.530 741 I N -0.283 120.366 120.570 0.133 0.000 2.252 741 I HA -0.220 3.950 4.170 0.000 0.000 0.245 741 I C 1.940 178.060 176.117 0.006 0.000 1.102 741 I CA 0.853 62.179 61.300 0.043 0.000 1.385 741 I CB -0.156 37.855 38.000 0.018 0.000 1.064 741 I HN 0.167 nan 8.210 nan 0.000 0.414 742 L N 1.022 122.251 121.223 0.010 0.000 2.083 742 L HA -0.216 4.124 4.340 0.000 0.000 0.209 742 L C 2.649 179.484 176.870 -0.058 0.000 1.083 742 L CA 1.511 56.343 54.840 -0.014 0.000 0.752 742 L CB -0.646 41.414 42.059 0.000 0.000 0.899 742 L HN 0.330 nan 8.230 nan 0.000 0.433 743 K N -0.228 120.117 120.400 -0.093 0.000 2.148 743 K HA -0.205 4.116 4.320 0.000 0.000 0.204 743 K C 1.870 178.215 176.600 -0.425 0.000 1.050 743 K CA 1.389 57.544 56.287 -0.219 0.000 0.942 743 K CB -0.123 32.250 32.500 -0.212 0.000 0.724 743 K HN 0.046 nan 8.250 nan 0.000 0.446 744 E N 1.408 121.461 120.200 -0.245 0.000 2.158 744 E HA 0.024 4.374 4.350 0.000 0.000 0.191 744 E C 1.892 178.516 176.600 0.041 0.000 0.982 744 E CA 0.658 56.947 56.400 -0.184 0.000 0.823 744 E CB -0.123 29.580 29.700 0.005 0.000 0.766 744 E HN 0.335 nan 8.360 nan 0.000 0.468 745 L N 0.617 121.887 121.223 0.078 0.000 2.131 745 L HA -0.169 4.172 4.340 0.000 0.000 0.210 745 L C 1.445 178.426 176.870 0.186 0.000 1.092 745 L CA 1.137 56.087 54.840 0.182 0.000 0.759 745 L CB -0.278 41.789 42.059 0.014 0.000 0.903 745 L HN 0.096 nan 8.230 nan 0.000 0.435 746 D N -1.049 119.365 120.400 0.023 0.000 2.310 746 D HA -0.142 4.498 4.640 0.000 0.000 0.212 746 D C 1.784 178.172 176.300 0.147 0.000 0.965 746 D CA 1.066 55.088 54.000 0.037 0.000 0.879 746 D CB -0.108 40.669 40.800 -0.039 0.000 0.921 746 D HN 0.499 nan 8.370 nan 0.000 0.510 747 H N -1.799 117.318 119.070 0.078 0.000 2.551 747 H HA 0.107 4.663 4.556 0.000 0.000 0.266 747 H C 0.207 175.496 175.328 -0.066 0.000 0.964 747 H CA -0.553 55.480 56.048 -0.026 0.000 1.180 747 H CB 0.329 30.026 29.762 -0.108 0.000 1.408 747 H HN 0.025 nan 8.280 nan 0.000 0.563 748 F N 1.288 121.294 119.950 0.093 0.000 2.380 748 F HA 0.223 4.750 4.527 0.000 0.000 0.325 748 F C -1.764 174.056 175.800 0.034 0.000 1.136 748 F CA -2.838 55.189 58.000 0.045 0.000 1.171 748 F CB 0.342 39.354 39.000 0.020 0.000 1.230 748 F HN -0.144 nan 8.300 nan 0.000 0.554 749 P HA -0.040 nan 4.420 nan 0.000 0.265 749 P C 0.638 178.011 177.300 0.121 0.000 1.193 749 P CA 0.001 63.176 63.100 0.125 0.000 0.765 749 P CB 0.559 32.318 31.700 0.098 0.000 0.823 750 L N 4.924 126.197 121.223 0.083 0.000 2.081 750 L HA -0.234 4.106 4.340 0.000 0.000 0.212 750 L C 1.951 178.848 176.870 0.045 0.000 1.080 750 L CA 1.949 56.826 54.840 0.062 0.000 0.754 750 L CB -1.085 41.001 42.059 0.045 0.000 0.893 750 L HN 0.516 nan 8.230 nan 0.000 0.433 751 E N -1.685 118.540 120.200 0.043 0.000 2.338 751 E HA -0.199 4.152 4.350 0.000 0.000 0.197 751 E C 1.171 177.787 176.600 0.026 0.000 1.007 751 E CA 0.917 57.334 56.400 0.030 0.000 0.849 751 E CB -0.153 29.564 29.700 0.028 0.000 0.774 751 E HN 0.400 nan 8.360 nan 0.000 0.506 752 K N 0.593 121.017 120.400 0.041 0.000 2.373 752 K HA 0.141 4.461 4.320 0.000 0.000 0.200 752 K C 1.759 178.335 176.600 -0.039 0.000 1.054 752 K CA -0.134 56.166 56.287 0.022 0.000 1.065 752 K CB 0.258 32.803 32.500 0.075 0.000 0.886 752 K HN 0.098 nan 8.250 nan 0.000 0.546 753 R N 1.170 121.656 120.500 -0.022 0.000 2.119 753 R HA -0.113 4.227 4.340 0.000 0.000 0.246 753 R C 1.505 177.730 176.300 -0.125 0.000 1.146 753 R CA 1.957 58.004 56.100 -0.089 0.000 0.962 753 R CB 0.017 30.307 30.300 -0.017 0.000 0.863 753 R HN -0.032 nan 8.270 nan 0.000 0.442 754 S N 0.319 115.978 115.700 -0.068 0.000 2.453 754 S HA -0.085 4.385 4.470 0.000 0.000 0.231 754 S C 1.481 176.040 174.600 -0.070 0.000 1.005 754 S CA 0.812 58.978 58.200 -0.056 0.000 0.949 754 S CB 0.050 63.234 63.200 -0.026 0.000 0.774 754 S HN 0.403 nan 8.310 nan 0.000 0.510 755 E N 1.787 121.938 120.200 -0.083 0.000 2.478 755 E HA 0.033 4.383 4.350 0.000 0.000 0.194 755 E C -0.047 176.477 176.600 -0.126 0.000 1.045 755 E CA 0.036 56.389 56.400 -0.078 0.000 0.868 755 E CB 0.131 29.802 29.700 -0.049 0.000 0.885 755 E HN 0.175 nan 8.360 nan 0.000 0.505 756 V N 1.812 121.591 119.914 -0.225 0.000 2.673 756 V HA -0.018 4.102 4.120 0.000 0.000 0.303 756 V C 0.425 176.394 176.094 -0.209 0.000 1.046 756 V CA 0.022 62.115 62.300 -0.345 0.000 1.126 756 V CB 1.352 32.756 31.823 -0.699 0.000 0.934 756 V HN -0.047 nan 8.190 nan 0.000 0.487 757 V N 6.609 126.427 119.914 -0.161 0.000 2.398 757 V HA 0.421 4.541 4.120 0.000 0.000 0.286 757 V C 0.063 176.096 176.094 -0.102 0.000 1.026 757 V CA -0.448 61.798 62.300 -0.090 0.000 0.868 757 V CB 1.658 33.447 31.823 -0.056 0.000 0.982 757 V HN 0.624 nan 8.190 nan 0.000 0.443 758 I N 6.027 126.552 120.570 -0.076 0.000 2.312 758 I HA 0.336 4.506 4.170 0.000 0.000 0.291 758 I C -0.394 175.628 176.117 -0.157 0.000 1.031 758 I CA -0.163 61.031 61.300 -0.178 0.000 1.293 758 I CB 0.917 38.764 38.000 -0.254 0.000 1.403 758 I HN 0.334 nan 8.210 nan 0.000 0.484 759 L N 7.282 128.381 121.223 -0.208 0.000 2.277 759 L HA 0.421 4.762 4.340 0.000 0.000 0.284 759 L C -0.610 176.125 176.870 -0.226 0.000 1.028 759 L CA -0.509 54.255 54.840 -0.126 0.000 0.835 759 L CB 0.601 42.619 42.059 -0.069 0.000 1.215 759 L HN 0.422 nan 8.230 nan 0.000 0.425 760 F N 1.677 121.560 119.950 -0.112 0.000 2.456 760 F HA 0.206 4.733 4.527 0.000 0.000 0.358 760 F C 0.897 176.553 175.800 -0.240 0.000 1.095 760 F CA 0.424 58.306 58.000 -0.196 0.000 1.216 760 F CB 1.395 40.242 39.000 -0.256 0.000 1.125 760 F HN 0.321 nan 8.300 nan 0.000 0.549 761 S N 2.562 118.229 115.700 -0.053 0.000 2.532 761 S HA 0.889 5.359 4.470 0.000 0.000 0.299 761 S C -0.895 173.679 174.600 -0.043 0.000 1.105 761 S CA -0.442 57.707 58.200 -0.085 0.000 1.018 761 S CB 0.990 64.186 63.200 -0.006 0.000 1.021 761 S HN 0.830 nan 8.310 nan 0.000 0.483 762 A N 3.318 126.107 122.820 -0.052 0.000 2.498 762 A HA 0.611 4.931 4.320 0.000 0.000 0.298 762 A C -0.790 177.077 177.584 0.472 0.000 1.075 762 A CA -0.655 51.497 52.037 0.192 0.000 0.714 762 A CB 0.827 19.879 19.000 0.088 0.000 1.299 762 A HN 0.934 nan 8.150 nan 0.000 0.407 763 H N 1.258 120.611 119.070 0.471 0.000 3.034 763 H HA 0.180 4.736 4.556 0.000 0.000 0.324 763 H C 0.748 176.459 175.328 0.639 0.000 1.015 763 H CA 1.575 57.888 56.048 0.442 0.000 1.429 763 H CB 0.947 30.901 29.762 0.320 0.000 1.429 763 H HN 0.688 nan 8.280 nan 0.000 0.585 764 S N 3.451 119.536 115.700 0.643 0.000 2.634 764 S HA 0.474 4.944 4.470 0.000 0.000 0.261 764 S C -0.155 174.846 174.600 0.669 0.000 1.271 764 S CA -0.719 57.890 58.200 0.680 0.000 0.985 764 S CB 0.437 63.983 63.200 0.578 0.000 0.968 764 S HN 0.575 nan 8.310 nan 0.000 0.568 765 L N 1.888 123.298 121.223 0.312 0.000 2.388 765 L HA 0.493 4.833 4.340 0.000 0.000 0.264 765 L C -2.526 174.098 176.870 -0.409 0.000 0.998 765 L CA -2.449 52.335 54.840 -0.094 0.000 0.817 765 L CB 2.408 44.384 42.059 -0.139 0.000 1.338 765 L HN 0.481 nan 8.230 nan 0.000 0.414 766 P HA 0.136 nan 4.420 nan 0.000 0.271 766 P C 0.490 177.521 177.300 -0.448 0.000 1.218 766 P CA -0.399 62.051 63.100 -1.082 0.000 0.780 766 P CB 0.526 31.606 31.700 -1.032 0.000 0.901 767 M N 1.471 120.907 119.600 -0.274 0.000 2.279 767 M HA -0.118 4.362 4.480 0.000 0.000 0.264 767 M C 1.777 177.991 176.300 -0.143 0.000 1.062 767 M CA 1.774 56.983 55.300 -0.152 0.000 1.099 767 M CB -1.827 30.729 32.600 -0.074 0.000 1.394 767 M HN 0.402 nan 8.290 nan 0.000 0.426 768 S N -0.544 115.056 115.700 -0.167 0.000 2.399 768 S HA -0.068 4.402 4.470 0.000 0.000 0.231 768 S C 1.970 176.494 174.600 -0.126 0.000 1.022 768 S CA 1.226 59.351 58.200 -0.126 0.000 0.983 768 S CB -0.891 62.235 63.200 -0.124 0.000 0.803 768 S HN 0.290 nan 8.310 nan 0.000 0.480 769 V N 1.386 121.196 119.914 -0.173 0.000 2.379 769 V HA -0.047 4.073 4.120 0.000 0.000 0.243 769 V C 2.645 178.675 176.094 -0.106 0.000 1.035 769 V CA 1.234 63.446 62.300 -0.147 0.000 1.035 769 V CB -0.621 31.080 31.823 -0.203 0.000 0.673 769 V HN 0.427 nan 8.190 nan 0.000 0.457 770 V N 0.920 120.762 119.914 -0.121 0.000 2.287 770 V HA -0.253 3.867 4.120 0.000 0.000 0.248 770 V C 2.196 178.256 176.094 -0.056 0.000 1.053 770 V CA 2.154 64.403 62.300 -0.084 0.000 1.027 770 V CB -0.884 30.872 31.823 -0.112 0.000 0.646 770 V HN 0.572 nan 8.190 nan 0.000 0.447 771 N N 0.026 118.689 118.700 -0.062 0.000 2.520 771 N HA -0.087 4.653 4.740 0.000 0.000 0.185 771 N C 1.753 177.245 175.510 -0.031 0.000 1.068 771 N CA 0.810 53.835 53.050 -0.042 0.000 0.911 771 N CB -0.276 38.186 38.487 -0.042 0.000 0.961 771 N HN 0.514 nan 8.380 nan 0.000 0.446 772 R N -0.698 119.782 120.500 -0.033 0.000 2.276 772 R HA 0.126 4.467 4.340 0.000 0.000 0.196 772 R C 0.757 177.053 176.300 -0.007 0.000 0.961 772 R CA 0.648 56.735 56.100 -0.021 0.000 1.024 772 R CB 0.459 30.743 30.300 -0.027 0.000 0.940 772 R HN 0.208 nan 8.270 nan 0.000 0.480 773 G N 1.308 110.106 108.800 -0.003 0.000 2.164 773 G HA2 -0.190 3.770 3.960 0.000 0.000 0.154 773 G HA3 -0.190 3.770 3.960 0.000 0.000 0.154 773 G C -0.404 174.518 174.900 0.036 0.000 1.014 773 G CA -0.389 44.719 45.100 0.014 0.000 0.683 773 G HN 0.278 nan 8.290 nan 0.000 0.500 774 D N 1.463 121.884 120.400 0.036 0.000 2.531 774 D HA 0.143 4.783 4.640 0.000 0.000 0.239 774 D C -0.296 176.078 176.300 0.122 0.000 1.144 774 D CA -0.278 53.769 54.000 0.079 0.000 0.869 774 D CB 1.449 42.273 40.800 0.039 0.000 1.160 774 D HN 0.217 nan 8.370 nan 0.000 0.484 775 P HA -0.128 nan 4.420 nan 0.000 0.237 775 P C 1.248 178.683 177.300 0.225 0.000 1.178 775 P CA 0.332 63.535 63.100 0.172 0.000 0.766 775 P CB 0.038 31.831 31.700 0.155 0.000 0.876 776 Y N 3.132 123.499 120.300 0.111 0.000 2.053 776 Y HA -0.167 4.383 4.550 0.000 0.000 0.277 776 Y C -0.693 175.294 175.900 0.145 0.000 1.159 776 Y CA 2.442 60.610 58.100 0.114 0.000 1.125 776 Y CB -1.967 36.534 38.460 0.068 0.000 0.969 776 Y HN 0.059 nan 8.280 nan 0.000 0.492 777 P HA -0.219 nan 4.420 nan 0.000 0.215 777 P C 1.540 178.889 177.300 0.082 0.000 1.153 777 P CA 2.156 65.278 63.100 0.035 0.000 0.853 777 P CB -0.198 31.471 31.700 -0.052 0.000 0.788 778 Q N 0.277 120.115 119.800 0.062 0.000 2.119 778 Q HA -0.192 4.149 4.340 0.000 0.000 0.201 778 Q C 1.894 177.912 176.000 0.031 0.000 0.972 778 Q CA 1.688 57.523 55.803 0.053 0.000 0.847 778 Q CB -0.323 28.446 28.738 0.051 0.000 0.903 778 Q HN 0.366 nan 8.270 nan 0.000 0.433 779 E N -0.507 119.710 120.200 0.028 0.000 2.107 779 E HA -0.097 4.253 4.350 0.000 0.000 0.191 779 E C 2.138 178.706 176.600 -0.053 0.000 0.982 779 E CA 1.064 57.472 56.400 0.014 0.000 0.809 779 E CB 0.174 29.914 29.700 0.067 0.000 0.756 779 E HN 0.137 nan 8.360 nan 0.000 0.459 780 V N 1.168 121.006 119.914 -0.127 0.000 2.407 780 V HA -0.244 3.876 4.120 0.000 0.000 0.248 780 V C 2.250 178.240 176.094 -0.173 0.000 1.055 780 V CA 1.777 63.959 62.300 -0.197 0.000 1.049 780 V CB -0.368 31.279 31.823 -0.294 0.000 0.662 780 V HN 0.196 nan 8.190 nan 0.000 0.455 781 S N 0.171 115.825 115.700 -0.077 0.000 2.382 781 S HA -0.166 4.304 4.470 0.000 0.000 0.228 781 S C 2.204 176.737 174.600 -0.111 0.000 1.027 781 S CA 1.372 59.527 58.200 -0.075 0.000 0.991 781 S CB -0.436 62.779 63.200 0.025 0.000 0.823 781 S HN 0.665 nan 8.310 nan 0.000 0.469 782 A N 1.269 124.045 122.820 -0.073 0.000 1.930 782 A HA -0.093 4.227 4.320 0.000 0.000 0.217 782 A C 2.317 179.836 177.584 -0.109 0.000 1.175 782 A CA 1.940 53.940 52.037 -0.061 0.000 0.627 782 A CB -1.243 17.749 19.000 -0.014 0.000 0.815 782 A HN 0.472 nan 8.150 nan 0.000 0.443 783 T N -0.265 114.204 114.554 -0.141 0.000 2.746 783 T HA -0.119 4.232 4.350 0.000 0.000 0.267 783 T C 1.885 176.382 174.700 -0.338 0.000 1.039 783 T CA 1.558 63.555 62.100 -0.172 0.000 1.142 783 T CB -0.456 68.307 68.868 -0.175 0.000 0.866 783 T HN 0.151 nan 8.240 nan 0.000 0.444 784 V N 1.422 121.031 119.914 -0.507 0.000 2.287 784 V HA -0.215 3.905 4.120 0.000 0.000 0.248 784 V C 2.683 178.368 176.094 -0.682 0.000 1.053 784 V CA 1.838 63.589 62.300 -0.915 0.000 1.027 784 V CB -0.693 30.563 31.823 -0.945 0.000 0.646 784 V HN 0.353 nan 8.190 nan 0.000 0.447 785 Q N 0.172 119.749 119.800 -0.371 0.000 2.084 785 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 785 Q C 2.243 178.115 176.000 -0.214 0.000 0.978 785 Q CA 1.728 57.398 55.803 -0.221 0.000 0.844 785 Q CB -0.245 28.455 28.738 -0.064 0.000 0.898 785 Q HN 0.469 nan 8.270 nan 0.000 0.426 786 K N -0.665 119.633 120.400 -0.171 0.000 2.057 786 K HA -0.084 4.236 4.320 0.000 0.000 0.207 786 K C 2.051 178.565 176.600 -0.142 0.000 1.049 786 K CA 1.348 57.570 56.287 -0.109 0.000 0.931 786 K CB -0.342 32.134 32.500 -0.040 0.000 0.714 786 K HN 0.148 nan 8.250 nan 0.000 0.440 787 V N 1.623 121.419 119.914 -0.196 0.000 2.295 787 V HA -0.244 3.876 4.120 0.000 0.000 0.246 787 V C 2.413 178.376 176.094 -0.219 0.000 1.049 787 V CA 1.442 63.656 62.300 -0.144 0.000 1.024 787 V CB -0.343 31.403 31.823 -0.127 0.000 0.648 787 V HN 0.281 nan 8.190 nan 0.000 0.447 788 M N -0.498 118.859 119.600 -0.404 0.000 2.229 788 M HA -0.140 4.341 4.480 0.000 0.000 0.264 788 M C 2.133 177.978 176.300 -0.758 0.000 1.063 788 M CA 1.452 56.415 55.300 -0.561 0.000 1.114 788 M CB -1.192 30.919 32.600 -0.816 0.000 1.387 788 M HN 0.528 nan 8.290 nan 0.000 0.420 789 E N 0.364 120.216 120.200 -0.579 0.000 2.072 789 E HA -0.218 4.133 4.350 0.000 0.000 0.191 789 E C 2.235 178.690 176.600 -0.243 0.000 0.985 789 E CA 1.055 57.193 56.400 -0.436 0.000 0.801 789 E CB 0.018 29.634 29.700 -0.140 0.000 0.750 789 E HN 0.399 nan 8.360 nan 0.000 0.452 790 R N 0.180 120.581 120.500 -0.165 0.000 2.115 790 R HA -0.041 4.300 4.340 0.000 0.000 0.230 790 R C 2.035 178.288 176.300 -0.080 0.000 1.111 790 R CA 0.798 56.851 56.100 -0.077 0.000 0.976 790 R CB -0.030 30.252 30.300 -0.030 0.000 0.870 790 R HN 0.250 nan 8.270 nan 0.000 0.445 791 L N 0.946 122.089 121.223 -0.133 0.000 2.591 791 L HA 0.102 4.442 4.340 0.000 0.000 0.228 791 L C -0.080 176.737 176.870 -0.089 0.000 1.133 791 L CA 0.322 55.107 54.840 -0.092 0.000 0.880 791 L CB -0.079 41.928 42.059 -0.086 0.000 1.033 791 L HN 0.248 nan 8.230 nan 0.000 0.450 792 E N -0.759 119.361 120.200 -0.132 0.000 2.360 792 E HA -0.292 4.059 4.350 0.000 0.000 0.238 792 E C -0.654 176.020 176.600 0.123 0.000 1.186 792 E CA 0.335 56.734 56.400 -0.001 0.000 0.719 792 E CB -1.754 27.982 29.700 0.060 0.000 1.236 792 E HN 0.473 nan 8.360 nan 0.000 0.386 793 Y N -3.410 116.926 120.300 0.061 0.000 3.225 793 Y HA -0.384 4.166 4.550 0.000 0.000 0.211 793 Y C 2.110 178.061 175.900 0.085 0.000 1.223 793 Y CA 0.623 58.789 58.100 0.110 0.000 1.284 793 Y CB -2.798 35.735 38.460 0.120 0.000 1.367 793 Y HN 0.677 nan 8.280 nan 0.000 0.566 794 C N -2.672 116.700 119.300 0.120 0.000 2.419 794 C HA 0.045 4.505 4.460 0.000 0.000 0.281 794 C C 1.057 176.090 174.990 0.072 0.000 1.336 794 C CA 0.760 59.826 59.018 0.079 0.000 1.770 794 C CB -0.848 26.911 27.740 0.030 0.000 1.929 794 C HN 0.641 nan 8.230 nan 0.000 0.509 795 N N 0.248 119.007 118.700 0.098 0.000 2.357 795 N HA 0.635 5.376 4.740 0.000 0.000 0.284 795 N C -2.943 172.672 175.510 0.175 0.000 1.236 795 N CA -1.057 52.038 53.050 0.076 0.000 0.774 795 N CB 1.715 40.201 38.487 -0.002 0.000 1.534 795 N HN 0.156 nan 8.380 nan 0.000 0.478 796 P HA 0.231 nan 4.420 nan 0.000 0.276 796 P C -1.557 175.836 177.300 0.154 0.000 1.244 796 P CA 0.009 63.154 63.100 0.076 0.000 0.801 796 P CB 0.665 32.352 31.700 -0.021 0.000 1.006 797 Y N -1.952 118.391 120.300 0.071 0.000 2.705 797 Y HA 0.819 5.369 4.550 0.001 0.000 0.332 797 Y C -0.849 175.107 175.900 0.094 0.000 1.221 797 Y CA -1.313 56.844 58.100 0.095 0.000 1.059 797 Y CB 1.149 39.760 38.460 0.252 0.000 1.298 797 Y HN 0.144 nan 8.280 nan 0.000 0.459 798 R N 1.254 121.927 120.500 0.288 0.000 2.643 798 R HA 0.465 4.806 4.340 0.000 0.000 0.269 798 R C -2.251 174.182 176.300 0.222 0.000 1.037 798 R CA -0.975 55.225 56.100 0.167 0.000 0.894 798 R CB 2.503 32.833 30.300 0.049 0.000 1.238 798 R HN 0.873 nan 8.270 nan 0.000 0.459 799 L N 3.280 124.568 121.223 0.109 0.000 2.272 799 L HA 0.581 4.921 4.340 0.000 0.000 0.289 799 L C -0.472 176.234 176.870 -0.274 0.000 1.032 799 L CA -0.446 54.337 54.840 -0.094 0.000 0.810 799 L CB 1.301 43.246 42.059 -0.190 0.000 1.205 799 L HN 0.457 nan 8.230 nan 0.000 0.422 800 V N 1.668 121.342 119.914 -0.400 0.000 3.113 800 V HA 0.777 4.898 4.120 0.000 0.000 0.316 800 V C -1.366 174.360 176.094 -0.613 0.000 1.125 800 V CA -0.854 61.231 62.300 -0.359 0.000 1.026 800 V CB 1.687 33.467 31.823 -0.072 0.000 1.080 800 V HN 0.799 nan 8.190 nan 0.000 0.444 801 W N 0.720 122.076 121.300 0.094 0.000 2.785 801 W HA 0.794 5.455 4.660 0.001 0.000 0.333 801 W C -0.173 176.392 176.519 0.076 0.000 1.062 801 W CA -0.404 57.012 57.345 0.118 0.000 1.233 801 W CB 1.523 31.082 29.460 0.165 0.000 1.413 801 W HN 0.922 nan 8.180 nan 0.000 0.489 802 Q N -0.191 119.764 119.800 0.257 0.000 2.486 802 Q HA 0.747 5.087 4.340 0.000 0.000 0.274 802 Q C 0.208 176.151 176.000 -0.095 0.000 1.076 802 Q CA -0.738 55.134 55.803 0.115 0.000 0.872 802 Q CB 1.661 30.477 28.738 0.129 0.000 1.383 802 Q HN 0.478 nan 8.270 nan 0.000 0.478 803 S N -1.485 114.110 115.700 -0.175 0.000 3.361 803 S HA -0.193 4.277 4.470 0.000 0.000 0.288 803 S C -0.007 174.270 174.600 -0.539 0.000 1.269 803 S CA 1.353 59.325 58.200 -0.381 0.000 0.976 803 S CB -1.665 61.067 63.200 -0.779 0.000 1.162 803 S HN 0.713 nan 8.310 nan 0.000 0.643 804 K N 1.780 121.809 120.400 -0.618 0.000 2.436 804 K HA 0.343 4.663 4.320 0.000 0.000 0.275 804 K C 0.119 176.157 176.600 -0.937 0.000 0.999 804 K CA 0.404 55.900 56.287 -1.319 0.000 0.980 804 K CB 0.516 32.433 32.500 -0.972 0.000 0.919 804 K HN 0.354 nan 8.250 nan 0.000 0.484 805 V N -0.153 119.133 119.914 -1.046 0.000 2.971 805 V HA 0.857 4.978 4.120 0.000 0.000 0.309 805 V C -0.095 175.947 176.094 -0.086 0.000 1.130 805 V CA -0.035 62.067 62.300 -0.331 0.000 0.964 805 V CB 0.880 32.652 31.823 -0.084 0.000 1.029 805 V HN 1.180 nan 8.190 nan 0.000 0.427 806 G N 3.617 112.414 108.800 -0.006 0.000 2.712 806 G HA2 -0.001 3.959 3.960 0.000 0.000 0.683 806 G HA3 -0.001 3.959 3.960 0.000 0.000 0.683 806 G C -1.661 173.287 174.900 0.080 0.000 1.320 806 G CA -0.040 45.117 45.100 0.095 0.000 0.847 806 G HN 1.055 nan 8.290 nan 0.000 0.553 807 P HA 0.267 nan 4.420 nan 0.000 0.251 807 P C 0.805 178.183 177.300 0.130 0.000 1.223 807 P CA 0.239 63.391 63.100 0.085 0.000 0.796 807 P CB 0.258 31.994 31.700 0.060 0.000 1.068 808 M N 1.336 121.063 119.600 0.211 0.000 2.202 808 M HA 0.330 4.811 4.480 0.000 0.000 0.316 808 M C -2.328 174.169 176.300 0.328 0.000 1.138 808 M CA -2.430 52.999 55.300 0.216 0.000 1.151 808 M CB -0.164 32.541 32.600 0.176 0.000 1.422 808 M HN -0.261 nan 8.290 nan 0.000 0.471 809 P HA 0.186 nan 4.420 nan 0.000 0.280 809 P C -1.541 175.926 177.300 0.278 0.000 1.244 809 P CA -0.050 63.181 63.100 0.219 0.000 0.784 809 P CB 0.434 32.190 31.700 0.093 0.000 0.913 810 W N 2.151 123.443 121.300 -0.014 0.000 2.929 810 W HA 0.472 5.132 4.660 0.000 0.000 0.345 810 W C -0.576 175.904 176.519 -0.065 0.000 1.151 810 W CA -0.783 56.545 57.345 -0.029 0.000 1.111 810 W CB 0.490 29.949 29.460 -0.001 0.000 1.449 810 W HN 0.137 nan 8.180 nan 0.000 0.572 811 L N 2.532 123.818 121.223 0.105 0.000 2.462 811 L HA 0.570 4.910 4.340 0.000 0.000 0.272 811 L C 0.283 177.114 176.870 -0.065 0.000 1.166 811 L CA 0.736 55.495 54.840 -0.135 0.000 0.880 811 L CB -0.511 41.249 42.059 -0.499 0.000 1.142 811 L HN 0.451 nan 8.230 nan 0.000 0.473 812 G N 4.593 113.415 108.800 0.037 0.000 2.887 812 G HA2 0.662 4.622 3.960 0.000 0.000 0.277 812 G HA3 0.662 4.622 3.960 0.000 0.000 0.277 812 G C -2.843 172.272 174.900 0.358 0.000 1.346 812 G CA -1.322 43.906 45.100 0.214 0.000 1.058 812 G HN 0.545 nan 8.290 nan 0.000 0.535 813 P HA 0.172 nan 4.420 nan 0.000 0.269 813 P C -0.515 176.933 177.300 0.247 0.000 1.215 813 P CA -0.072 63.160 63.100 0.220 0.000 0.780 813 P CB 0.524 32.308 31.700 0.140 0.000 0.898 814 Q N 0.321 120.196 119.800 0.126 0.000 2.293 814 Q HA 0.127 4.468 4.340 0.000 0.000 0.251 814 Q C 1.104 177.112 176.000 0.013 0.000 0.930 814 Q CA 0.008 55.860 55.803 0.081 0.000 0.893 814 Q CB 0.412 29.148 28.738 -0.003 0.000 1.215 814 Q HN 0.431 nan 8.270 nan 0.000 0.425 815 T N 1.587 116.148 114.554 0.011 0.000 2.708 815 T HA -0.190 4.160 4.350 0.000 0.000 0.266 815 T C 1.240 175.794 174.700 -0.243 0.000 1.037 815 T CA 1.809 63.881 62.100 -0.047 0.000 1.146 815 T CB -0.221 68.695 68.868 0.080 0.000 0.865 815 T HN 0.775 nan 8.240 nan 0.000 0.435 816 D N 2.370 122.463 120.400 -0.511 0.000 2.117 816 D HA -0.187 4.453 4.640 0.000 0.000 0.197 816 D C 1.961 178.048 176.300 -0.356 0.000 0.987 816 D CA 1.533 55.074 54.000 -0.765 0.000 0.829 816 D CB -0.710 39.459 40.800 -1.051 0.000 0.961 816 D HN 0.717 nan 8.370 nan 0.000 0.460 817 E N 0.470 120.539 120.200 -0.219 0.000 2.274 817 E HA -0.056 4.294 4.350 0.000 0.000 0.194 817 E C 1.811 178.355 176.600 -0.094 0.000 0.996 817 E CA 0.844 57.166 56.400 -0.130 0.000 0.840 817 E CB -0.207 29.445 29.700 -0.081 0.000 0.772 817 E HN 0.101 nan 8.360 nan 0.000 0.491 818 S N 1.030 116.677 115.700 -0.089 0.000 2.387 818 S HA -0.014 4.457 4.470 0.000 0.000 0.226 818 S C 1.950 176.510 174.600 -0.065 0.000 1.026 818 S CA 0.744 58.911 58.200 -0.055 0.000 0.972 818 S CB -0.174 63.006 63.200 -0.033 0.000 0.814 818 S HN 0.249 nan 8.310 nan 0.000 0.477 819 I N 1.457 121.968 120.570 -0.098 0.000 2.179 819 I HA -0.202 3.968 4.170 0.000 0.000 0.242 819 I C 2.509 178.584 176.117 -0.071 0.000 1.088 819 I CA 1.218 62.469 61.300 -0.082 0.000 1.357 819 I CB -0.252 37.684 38.000 -0.106 0.000 1.051 819 I HN 0.233 nan 8.210 nan 0.000 0.409 820 K N 1.165 121.510 120.400 -0.092 0.000 2.057 820 K HA -0.139 4.181 4.320 0.000 0.000 0.207 820 K C 2.125 178.696 176.600 -0.049 0.000 1.049 820 K CA 1.569 57.814 56.287 -0.070 0.000 0.931 820 K CB -0.364 32.088 32.500 -0.081 0.000 0.714 820 K HN 0.350 nan 8.250 nan 0.000 0.440 821 G N 1.288 110.059 108.800 -0.048 0.000 2.418 821 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 821 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 821 G C 1.478 176.361 174.900 -0.028 0.000 1.158 821 G CA 0.768 45.848 45.100 -0.033 0.000 0.771 821 G HN 0.215 nan 8.290 nan 0.000 0.545 822 L N -0.205 121.000 121.223 -0.030 0.000 2.017 822 L HA -0.112 4.228 4.340 0.000 0.000 0.208 822 L C 3.011 179.869 176.870 -0.020 0.000 1.073 822 L CA 1.037 55.863 54.840 -0.024 0.000 0.745 822 L CB -0.587 41.458 42.059 -0.025 0.000 0.894 822 L HN 0.381 nan 8.230 nan 0.000 0.432 823 C N 0.540 119.827 119.300 -0.021 0.000 2.429 823 C HA -0.159 4.302 4.460 0.000 0.000 0.277 823 C C 2.599 177.579 174.990 -0.015 0.000 1.262 823 C CA 1.072 60.081 59.018 -0.016 0.000 1.733 823 C CB -0.740 26.990 27.740 -0.017 0.000 2.010 823 C HN 0.498 nan 8.230 nan 0.000 0.483 824 E N -0.477 119.711 120.200 -0.019 0.000 2.338 824 E HA -0.118 4.232 4.350 0.000 0.000 0.197 824 E C 1.805 178.396 176.600 -0.014 0.000 1.007 824 E CA 0.641 57.031 56.400 -0.017 0.000 0.849 824 E CB -0.086 29.602 29.700 -0.019 0.000 0.774 824 E HN 0.650 nan 8.360 nan 0.000 0.506 825 R N -0.558 119.933 120.500 -0.015 0.000 2.427 825 R HA 0.126 4.467 4.340 0.000 0.000 0.262 825 R C 0.883 177.176 176.300 -0.013 0.000 0.943 825 R CA 0.425 56.517 56.100 -0.014 0.000 1.081 825 R CB 0.879 31.169 30.300 -0.016 0.000 1.166 825 R HN 0.214 nan 8.270 nan 0.000 0.534 826 G N 1.258 110.052 108.800 -0.011 0.000 2.175 826 G HA2 -0.236 3.724 3.960 0.000 0.000 0.244 826 G HA3 -0.236 3.724 3.960 0.000 0.000 0.244 826 G C -0.039 174.855 174.900 -0.009 0.000 0.982 826 G CA -0.446 44.649 45.100 -0.009 0.000 0.641 826 G HN 0.098 nan 8.290 nan 0.000 0.527 827 R N 0.724 121.216 120.500 -0.012 0.000 2.391 827 R HA 0.436 4.776 4.340 0.000 0.000 0.310 827 R C 0.737 177.035 176.300 -0.004 0.000 1.174 827 R CA -0.340 55.752 56.100 -0.013 0.000 1.118 827 R CB 0.484 30.771 30.300 -0.021 0.000 1.134 827 R HN 0.425 nan 8.270 nan 0.000 0.524 828 K N 0.890 121.294 120.400 0.006 0.000 2.397 828 K HA 0.149 4.469 4.320 0.000 0.000 0.202 828 K C -0.396 176.238 176.600 0.057 0.000 1.022 828 K CA 0.043 56.344 56.287 0.023 0.000 1.141 828 K CB 0.387 32.900 32.500 0.021 0.000 0.857 828 K HN 0.272 nan 8.250 nan 0.000 0.514 829 N N 1.392 120.122 118.700 0.050 0.000 2.564 829 N HA 0.348 5.088 4.740 0.000 0.000 0.248 829 N C -1.321 174.209 175.510 0.035 0.000 0.986 829 N CA -0.288 52.827 53.050 0.109 0.000 0.921 829 N CB 1.220 39.730 38.487 0.039 0.000 1.136 829 N HN -0.021 nan 8.380 nan 0.000 0.509 830 I N 1.535 122.193 120.570 0.146 0.000 2.545 830 I HA 0.407 4.578 4.170 0.000 0.000 0.292 830 I C -1.189 175.049 176.117 0.202 0.000 1.040 830 I CA -1.126 60.220 61.300 0.077 0.000 1.068 830 I CB 2.033 40.061 38.000 0.046 0.000 1.251 830 I HN 0.205 nan 8.210 nan 0.000 0.424 831 L N 7.179 128.442 121.223 0.068 0.000 2.319 831 L HA 0.545 4.886 4.340 0.000 0.000 0.281 831 L C -1.120 175.725 176.870 -0.041 0.000 1.005 831 L CA -0.183 54.721 54.840 0.108 0.000 0.828 831 L CB 1.127 43.205 42.059 0.032 0.000 1.227 831 L HN 0.441 nan 8.230 nan 0.000 0.415 832 L N 5.874 127.088 121.223 -0.015 0.000 2.305 832 L HA 0.541 4.881 4.340 0.000 0.000 0.281 832 L C -0.599 176.206 176.870 -0.108 0.000 1.085 832 L CA -0.734 54.067 54.840 -0.064 0.000 0.813 832 L CB 1.482 43.538 42.059 -0.005 0.000 1.157 832 L HN 0.351 nan 8.230 nan 0.000 0.436 833 V N 4.299 124.094 119.914 -0.199 0.000 2.340 833 V HA 0.261 4.381 4.120 0.000 0.000 0.277 833 V C -2.317 173.716 176.094 -0.101 0.000 1.017 833 V CA -1.628 60.550 62.300 -0.202 0.000 0.820 833 V CB 1.478 33.006 31.823 -0.492 0.000 1.028 833 V HN 0.593 nan 8.190 nan 0.000 0.436 834 P HA 0.204 nan 4.420 nan 0.000 0.265 834 P C 0.313 177.618 177.300 0.008 0.000 1.222 834 P CA 0.249 63.388 63.100 0.065 0.000 0.767 834 P CB 0.842 32.633 31.700 0.151 0.000 0.801 835 I N 3.457 123.991 120.570 -0.059 0.000 4.082 835 I HA 0.270 4.441 4.170 0.000 0.000 0.337 835 I C 1.058 177.110 176.117 -0.109 0.000 1.352 835 I CA 0.272 61.378 61.300 -0.323 0.000 1.097 835 I CB 0.162 37.988 38.000 -0.291 0.000 1.048 835 I HN 0.267 nan 8.210 nan 0.000 0.393 836 A N -0.397 122.505 122.820 0.136 0.000 2.564 836 A HA 0.456 4.777 4.320 0.000 0.000 0.279 836 A C -0.160 177.679 177.584 0.424 0.000 1.232 836 A CA -0.149 52.050 52.037 0.270 0.000 0.950 836 A CB -0.144 19.089 19.000 0.388 0.000 1.138 836 A HN 0.196 nan 8.150 nan 0.000 0.526 837 F N -0.956 119.080 119.950 0.142 0.000 2.631 837 F HA 0.419 4.946 4.527 0.000 0.000 0.308 837 F C 0.997 176.761 175.800 -0.060 0.000 1.097 837 F CA 0.143 58.146 58.000 0.004 0.000 0.952 837 F CB 1.895 40.859 39.000 -0.060 0.000 1.307 837 F HN -0.029 nan 8.300 nan 0.000 0.450 838 T N -1.427 112.797 114.554 -0.551 0.000 3.054 838 T HA 0.373 4.723 4.350 0.000 0.000 0.255 838 T C 0.067 174.461 174.700 -0.510 0.000 1.035 838 T CA 0.511 62.272 62.100 -0.565 0.000 0.941 838 T CB -0.337 68.099 68.868 -0.720 0.000 1.026 838 T HN 0.624 nan 8.240 nan 0.000 0.533 839 S N -0.301 115.221 115.700 -0.297 0.000 2.651 839 S HA 0.578 5.048 4.470 0.000 0.000 0.279 839 S C -1.667 172.993 174.600 0.101 0.000 1.148 839 S CA -0.929 57.145 58.200 -0.209 0.000 0.837 839 S CB 1.625 64.773 63.200 -0.087 0.000 1.138 839 S HN 0.056 nan 8.310 nan 0.000 0.478 840 D N 1.815 122.248 120.400 0.055 0.000 2.341 840 D HA 0.523 5.163 4.640 0.000 0.000 0.245 840 D C 0.059 176.642 176.300 0.472 0.000 1.106 840 D CA 0.734 54.904 54.000 0.284 0.000 0.905 840 D CB 0.622 41.572 40.800 0.250 0.000 1.202 840 D HN 0.763 nan 8.370 nan 0.000 0.426 841 H N -0.932 118.222 119.070 0.141 0.000 2.917 841 H HA 0.099 4.655 4.556 0.000 0.000 0.269 841 H C 0.693 176.026 175.328 0.007 0.000 1.488 841 H CA -0.712 55.385 56.048 0.083 0.000 1.173 841 H CB -0.293 29.444 29.762 -0.042 0.000 1.868 841 H HN 0.246 nan 8.280 nan 0.000 0.600 842 I N 1.223 121.715 120.570 -0.131 0.000 2.248 842 I HA -0.222 3.949 4.170 0.000 0.000 0.248 842 I C 2.083 177.987 176.117 -0.356 0.000 1.107 842 I CA 1.696 62.828 61.300 -0.280 0.000 1.373 842 I CB -0.563 37.221 38.000 -0.360 0.000 1.055 842 I HN 0.674 nan 8.210 nan 0.000 0.418 843 E N -0.721 119.049 120.200 -0.716 0.000 2.110 843 E HA -0.229 4.121 4.350 0.000 0.000 0.193 843 E C 2.063 178.453 176.600 -0.350 0.000 0.988 843 E CA 1.926 57.989 56.400 -0.561 0.000 0.804 843 E CB -0.157 29.127 29.700 -0.694 0.000 0.745 843 E HN 0.728 nan 8.360 nan 0.000 0.458 844 T N -1.337 113.057 114.554 -0.267 0.000 2.988 844 T HA 0.060 4.410 4.350 0.000 0.000 0.240 844 T C 2.035 176.686 174.700 -0.081 0.000 1.014 844 T CA 0.011 62.058 62.100 -0.088 0.000 1.155 844 T CB -0.422 68.483 68.868 0.063 0.000 0.872 844 T HN 0.011 nan 8.240 nan 0.000 0.440 845 L N -0.968 120.235 121.223 -0.034 0.000 2.141 845 L HA 0.085 4.425 4.340 0.000 0.000 0.209 845 L C 2.514 179.364 176.870 -0.033 0.000 1.094 845 L CA 1.536 56.373 54.840 -0.005 0.000 0.763 845 L CB -0.456 41.637 42.059 0.057 0.000 0.908 845 L HN 0.288 nan 8.230 nan 0.000 0.437 846 Y N -0.061 120.118 120.300 -0.201 0.000 2.453 846 Y HA -0.021 4.529 4.550 0.000 0.000 0.273 846 Y C 2.588 178.314 175.900 -0.290 0.000 1.130 846 Y CA 0.854 58.816 58.100 -0.230 0.000 1.271 846 Y CB -0.031 38.260 38.460 -0.281 0.000 1.253 846 Y HN -0.021 nan 8.280 nan 0.000 0.512 847 E N 0.419 120.399 120.200 -0.368 0.000 2.033 847 E HA -0.230 4.120 4.350 0.000 0.000 0.199 847 E C 2.076 178.094 176.600 -0.970 0.000 1.011 847 E CA 2.233 58.235 56.400 -0.663 0.000 0.815 847 E CB -0.354 29.041 29.700 -0.508 0.000 0.755 847 E HN 0.535 nan 8.360 nan 0.000 0.451 848 L N 0.531 121.376 121.223 -0.629 0.000 2.023 848 L HA -0.158 4.182 4.340 0.000 0.000 0.205 848 L C 2.285 179.005 176.870 -0.250 0.000 1.073 848 L CA 1.066 55.654 54.840 -0.420 0.000 0.745 848 L CB -0.408 41.548 42.059 -0.172 0.000 0.900 848 L HN 0.119 nan 8.230 nan 0.000 0.435 849 D N -0.017 120.250 120.400 -0.221 0.000 2.144 849 D HA -0.075 4.566 4.640 0.000 0.000 0.200 849 D C 2.164 178.351 176.300 -0.188 0.000 0.978 849 D CA 1.341 55.249 54.000 -0.153 0.000 0.833 849 D CB 0.239 40.977 40.800 -0.104 0.000 0.961 849 D HN 0.330 nan 8.370 nan 0.000 0.470 850 I N -0.211 120.162 120.570 -0.329 0.000 3.132 850 I HA -0.006 4.164 4.170 0.000 0.000 0.255 850 I C 2.307 178.183 176.117 -0.403 0.000 1.118 850 I CA 0.006 61.093 61.300 -0.355 0.000 1.463 850 I CB -0.009 37.739 38.000 -0.420 0.000 1.356 850 I HN -0.162 nan 8.210 nan 0.000 0.463 851 E N 0.862 120.652 120.200 -0.683 0.000 2.058 851 E HA -0.229 4.122 4.350 0.000 0.000 0.194 851 E C 1.837 178.403 176.600 -0.056 0.000 0.997 851 E CA 1.902 58.043 56.400 -0.431 0.000 0.801 851 E CB 0.083 29.469 29.700 -0.523 0.000 0.746 851 E HN 0.329 nan 8.360 nan 0.000 0.450 852 Y N 0.570 120.743 120.300 -0.212 0.000 2.362 852 Y HA 0.176 4.726 4.550 0.001 0.000 0.258 852 Y C 1.862 177.692 175.900 -0.117 0.000 1.048 852 Y CA 0.083 58.102 58.100 -0.136 0.000 1.070 852 Y CB -0.907 37.485 38.460 -0.114 0.000 1.028 852 Y HN -0.199 nan 8.280 nan 0.000 0.475 853 S N 1.683 117.443 115.700 0.100 0.000 3.679 853 S HA -0.038 4.432 4.470 0.000 0.000 0.178 853 S C 0.631 175.213 174.600 -0.029 0.000 0.971 853 S CA 0.757 58.967 58.200 0.017 0.000 1.090 853 S CB -0.995 62.205 63.200 0.000 0.000 1.529 853 S HN 0.446 nan 8.310 nan 0.000 0.480 854 Q N -1.273 118.512 119.800 -0.026 0.000 1.395 854 Q HA -0.032 4.309 4.340 0.000 0.000 0.133 854 Q C 0.859 176.841 176.000 -0.030 0.000 0.625 854 Q CA 0.245 56.025 55.803 -0.039 0.000 0.614 854 Q CB 0.010 28.709 28.738 -0.064 0.000 1.051 854 Q HN 0.476 nan 8.270 nan 0.000 0.328 855 V N 0.317 120.216 119.914 -0.024 0.000 2.911 855 V HA 0.021 4.141 4.120 0.000 0.000 0.237 855 V C 1.626 177.712 176.094 -0.012 0.000 1.156 855 V CA 1.012 63.302 62.300 -0.018 0.000 1.180 855 V CB 0.070 31.883 31.823 -0.017 0.000 0.932 855 V HN 0.198 nan 8.190 nan 0.000 0.483 856 L N 1.394 122.614 121.223 -0.005 0.000 1.993 856 L HA 0.151 4.491 4.340 0.000 0.000 0.206 856 L C 2.541 179.397 176.870 -0.023 0.000 1.074 856 L CA 2.459 57.285 54.840 -0.024 0.000 0.746 856 L CB -1.040 40.990 42.059 -0.048 0.000 0.896 856 L HN 0.205 nan 8.230 nan 0.000 0.435 857 A N -0.033 122.780 122.820 -0.013 0.000 1.909 857 A HA -0.360 3.960 4.320 0.000 0.000 0.221 857 A C 2.299 179.875 177.584 -0.013 0.000 1.223 857 A CA 2.804 54.835 52.037 -0.011 0.000 0.658 857 A CB -0.836 18.162 19.000 -0.003 0.000 0.831 857 A HN 0.598 nan 8.150 nan 0.000 0.462 858 K N -1.189 119.203 120.400 -0.014 0.000 2.002 858 K HA -0.180 4.141 4.320 0.000 0.000 0.209 858 K C 2.086 178.678 176.600 -0.014 0.000 1.048 858 K CA 1.481 57.760 56.287 -0.014 0.000 0.930 858 K CB -0.204 32.287 32.500 -0.015 0.000 0.714 858 K HN 0.469 nan 8.250 nan 0.000 0.438 859 E N 0.757 120.948 120.200 -0.016 0.000 2.331 859 E HA -0.154 4.196 4.350 0.000 0.000 0.199 859 E C 1.056 177.645 176.600 -0.018 0.000 1.008 859 E CA 1.082 57.473 56.400 -0.016 0.000 0.843 859 E CB -0.171 29.518 29.700 -0.018 0.000 0.761 859 E HN 0.304 nan 8.360 nan 0.000 0.507 860 C N -1.067 118.221 119.300 -0.019 0.000 2.799 860 C HA 0.487 4.947 4.460 0.000 0.000 0.267 860 C C 1.356 176.338 174.990 -0.013 0.000 1.257 860 C CA 0.131 59.138 59.018 -0.019 0.000 1.702 860 C CB -0.829 26.895 27.740 -0.026 0.000 1.934 860 C HN 0.574 nan 8.230 nan 0.000 0.594 861 G N 1.650 110.443 108.800 -0.011 0.000 2.289 861 G HA2 -0.160 3.800 3.960 0.000 0.000 0.280 861 G HA3 -0.160 3.800 3.960 0.000 0.000 0.280 861 G C -0.072 174.826 174.900 -0.002 0.000 1.089 861 G CA 0.461 45.557 45.100 -0.007 0.000 0.939 861 G HN 0.507 nan 8.290 nan 0.000 0.499 862 V N -0.733 119.180 119.914 -0.001 0.000 2.953 862 V HA 0.516 4.636 4.120 0.000 0.000 0.304 862 V C 1.376 177.479 176.094 0.014 0.000 1.073 862 V CA 0.646 62.951 62.300 0.009 0.000 1.064 862 V CB 1.291 33.120 31.823 0.011 0.000 1.047 862 V HN 0.560 nan 8.190 nan 0.000 0.478 863 E N 3.042 123.259 120.200 0.029 0.000 2.045 863 E HA 0.123 4.474 4.350 0.000 0.000 0.190 863 E C -0.295 176.329 176.600 0.040 0.000 0.968 863 E CA 0.725 57.146 56.400 0.034 0.000 0.813 863 E CB 0.217 29.945 29.700 0.047 0.000 0.780 863 E HN 0.782 nan 8.360 nan 0.000 0.455 864 N N 0.191 118.942 118.700 0.085 0.000 2.500 864 N HA 0.357 5.097 4.740 0.000 0.000 0.291 864 N C -1.476 174.121 175.510 0.145 0.000 1.092 864 N CA -0.127 52.968 53.050 0.075 0.000 0.890 864 N CB 2.141 40.700 38.487 0.121 0.000 1.466 864 N HN -0.062 nan 8.380 nan 0.000 0.507 865 I N 2.152 122.743 120.570 0.035 0.000 2.439 865 I HA 0.459 4.630 4.170 0.000 0.000 0.285 865 I C -0.285 175.823 176.117 -0.014 0.000 1.021 865 I CA -0.552 60.791 61.300 0.071 0.000 1.091 865 I CB 1.240 39.267 38.000 0.044 0.000 1.242 865 I HN 0.281 nan 8.210 nan 0.000 0.439 866 R N 4.601 125.113 120.500 0.019 0.000 2.892 866 R HA 0.697 5.037 4.340 0.000 0.000 0.265 866 R C -0.713 175.606 176.300 0.032 0.000 1.025 866 R CA -1.080 54.988 56.100 -0.054 0.000 0.982 866 R CB 2.796 32.956 30.300 -0.234 0.000 1.185 866 R HN 0.484 nan 8.270 nan 0.000 0.484 867 R N 0.653 121.159 120.500 0.010 0.000 2.534 867 R HA 0.509 4.849 4.340 0.000 0.000 0.301 867 R C -0.948 175.369 176.300 0.028 0.000 0.961 867 R CA -0.427 55.685 56.100 0.019 0.000 0.871 867 R CB 1.807 32.111 30.300 0.007 0.000 1.170 867 R HN 0.788 nan 8.270 nan 0.000 0.446 868 A N 3.151 125.990 122.820 0.032 0.000 2.483 868 A HA 0.041 4.361 4.320 0.000 0.000 0.238 868 A C 0.006 177.631 177.584 0.069 0.000 1.070 868 A CA -0.090 51.978 52.037 0.052 0.000 0.770 868 A CB 0.241 19.283 19.000 0.069 0.000 1.008 868 A HN 0.885 nan 8.150 nan 0.000 0.497 869 E N 1.831 122.061 120.200 0.050 0.000 2.392 869 E HA 0.214 4.565 4.350 0.000 0.000 0.264 869 E C -0.114 176.596 176.600 0.183 0.000 1.024 869 E CA -0.178 56.246 56.400 0.040 0.000 0.903 869 E CB 0.437 30.057 29.700 -0.134 0.000 0.963 869 E HN 0.648 nan 8.360 nan 0.000 0.432 870 S N 3.586 119.313 115.700 0.046 0.000 2.593 870 S HA 0.062 4.532 4.470 0.000 0.000 0.269 870 S C 1.505 176.018 174.600 -0.144 0.000 1.334 870 S CA -0.614 57.564 58.200 -0.038 0.000 1.015 870 S CB 0.624 63.756 63.200 -0.113 0.000 0.912 870 S HN 0.524 nan 8.310 nan 0.000 0.541 871 L N 1.421 122.402 121.223 -0.404 0.000 2.079 871 L HA -0.207 4.134 4.340 0.000 0.000 0.210 871 L C 1.427 178.015 176.870 -0.469 0.000 1.081 871 L CA 0.771 55.241 54.840 -0.618 0.000 0.752 871 L CB -1.007 40.365 42.059 -1.146 0.000 0.896 871 L HN 0.633 nan 8.230 nan 0.000 0.433 872 N N 0.138 118.455 118.700 -0.639 0.000 1.238 872 N HA -0.284 4.457 4.740 0.000 0.000 0.139 872 N C 1.162 176.469 175.510 -0.339 0.000 0.512 872 N CA 2.223 54.712 53.050 -0.936 0.000 1.011 872 N CB -1.508 35.861 38.487 -1.863 0.000 1.386 872 N HN 0.391 nan 8.380 nan 0.000 0.471 873 G N 0.852 109.510 108.800 -0.236 0.000 3.233 873 G HA2 0.039 3.999 3.960 0.000 0.000 0.227 873 G HA3 0.039 3.999 3.960 0.000 0.000 0.227 873 G C 0.329 175.293 174.900 0.107 0.000 1.175 873 G CA 0.070 45.269 45.100 0.164 0.000 0.781 873 G HN 0.631 nan 8.290 nan 0.000 0.542 874 N N 0.986 119.722 118.700 0.060 0.000 2.411 874 N HA 0.070 4.810 4.740 0.000 0.000 0.265 874 N C -1.275 174.291 175.510 0.093 0.000 1.266 874 N CA -1.085 52.018 53.050 0.087 0.000 0.889 874 N CB 1.471 40.001 38.487 0.072 0.000 1.069 874 N HN -0.096 nan 8.380 nan 0.000 0.476 875 P HA -0.163 nan 4.420 nan 0.000 0.218 875 P C 1.233 178.544 177.300 0.018 0.000 1.148 875 P CA 0.534 63.654 63.100 0.034 0.000 0.822 875 P CB 0.197 31.914 31.700 0.028 0.000 0.784 876 L N -1.662 119.582 121.223 0.036 0.000 2.141 876 L HA -0.054 4.287 4.340 0.000 0.000 0.209 876 L C 2.088 178.975 176.870 0.030 0.000 1.094 876 L CA 1.490 56.343 54.840 0.021 0.000 0.763 876 L CB -1.249 40.825 42.059 0.024 0.000 0.908 876 L HN -0.091 nan 8.230 nan 0.000 0.437 877 F N -0.973 118.901 119.950 -0.126 0.000 2.186 877 F HA -0.189 4.339 4.527 0.000 0.000 0.299 877 F C 2.339 178.050 175.800 -0.150 0.000 1.090 877 F CA 1.270 59.172 58.000 -0.163 0.000 1.307 877 F CB 0.046 38.925 39.000 -0.202 0.000 1.019 877 F HN 0.043 nan 8.300 nan 0.000 0.489 878 S N 0.297 115.859 115.700 -0.230 0.000 2.399 878 S HA -0.219 4.252 4.470 0.000 0.000 0.231 878 S C 1.791 176.220 174.600 -0.285 0.000 1.022 878 S CA 1.488 59.498 58.200 -0.318 0.000 0.983 878 S CB -0.285 62.819 63.200 -0.159 0.000 0.803 878 S HN 0.252 nan 8.310 nan 0.000 0.480 879 K N 2.364 122.650 120.400 -0.190 0.000 2.103 879 K HA 0.168 4.488 4.320 0.000 0.000 0.204 879 K C 1.952 178.437 176.600 -0.192 0.000 1.052 879 K CA 1.291 57.492 56.287 -0.143 0.000 0.945 879 K CB -0.724 31.735 32.500 -0.070 0.000 0.722 879 K HN 0.191 nan 8.250 nan 0.000 0.443 880 A N 0.936 123.608 122.820 -0.247 0.000 1.902 880 A HA -0.094 4.226 4.320 0.000 0.000 0.217 880 A C 2.213 179.468 177.584 -0.548 0.000 1.181 880 A CA 1.665 53.491 52.037 -0.352 0.000 0.623 880 A CB -0.740 18.123 19.000 -0.227 0.000 0.818 880 A HN 0.321 nan 8.150 nan 0.000 0.443 881 L N -0.857 120.014 121.223 -0.586 0.000 2.017 881 L HA -0.198 4.142 4.340 0.000 0.000 0.208 881 L C 3.113 179.809 176.870 -0.291 0.000 1.073 881 L CA 1.159 55.721 54.840 -0.464 0.000 0.745 881 L CB -0.643 41.103 42.059 -0.522 0.000 0.894 881 L HN 0.438 nan 8.230 nan 0.000 0.432 882 A N -0.040 122.622 122.820 -0.264 0.000 1.933 882 A HA -0.288 4.033 4.320 0.000 0.000 0.218 882 A C 1.957 179.452 177.584 -0.148 0.000 1.175 882 A CA 2.125 54.041 52.037 -0.202 0.000 0.628 882 A CB -0.662 18.227 19.000 -0.186 0.000 0.814 882 A HN 0.467 nan 8.150 nan 0.000 0.444 883 D N -0.397 119.927 120.400 -0.128 0.000 2.117 883 D HA -0.115 4.525 4.640 0.000 0.000 0.197 883 D C 1.829 178.105 176.300 -0.041 0.000 0.987 883 D CA 1.135 55.137 54.000 0.004 0.000 0.829 883 D CB -0.172 40.690 40.800 0.104 0.000 0.961 883 D HN 0.405 nan 8.370 nan 0.000 0.460 884 L N -0.376 120.687 121.223 -0.267 0.000 2.017 884 L HA -0.162 4.178 4.340 0.000 0.000 0.208 884 L C 2.524 179.188 176.870 -0.343 0.000 1.073 884 L CA 0.737 55.362 54.840 -0.357 0.000 0.745 884 L CB -0.287 41.352 42.059 -0.700 0.000 0.894 884 L HN 0.071 nan 8.230 nan 0.000 0.432 885 V N -1.031 118.644 119.914 -0.399 0.000 2.358 885 V HA -0.349 3.772 4.120 0.000 0.000 0.246 885 V C 2.367 178.446 176.094 -0.024 0.000 1.047 885 V CA 1.978 64.105 62.300 -0.289 0.000 1.035 885 V CB -0.798 30.867 31.823 -0.263 0.000 0.658 885 V HN 0.549 nan 8.190 nan 0.000 0.452 886 H N 0.770 119.765 119.070 -0.125 0.000 2.319 886 H HA -0.175 4.381 4.556 0.000 0.000 0.299 886 H C 2.501 177.813 175.328 -0.026 0.000 1.092 886 H CA 1.765 57.775 56.048 -0.064 0.000 1.302 886 H CB 0.214 29.937 29.762 -0.064 0.000 1.373 886 H HN 0.584 nan 8.280 nan 0.000 0.497 887 S N -0.215 115.454 115.700 -0.051 0.000 2.383 887 S HA -0.226 4.244 4.470 0.000 0.000 0.227 887 S C 2.122 176.699 174.600 -0.039 0.000 1.026 887 S CA 1.328 59.466 58.200 -0.103 0.000 0.981 887 S CB -0.807 62.379 63.200 -0.022 0.000 0.818 887 S HN 0.612 nan 8.310 nan 0.000 0.472 888 H N 1.822 120.830 119.070 -0.103 0.000 2.321 888 H HA 0.016 4.572 4.556 0.000 0.000 0.300 888 H C 2.015 177.310 175.328 -0.054 0.000 1.087 888 H CA 1.854 57.848 56.048 -0.091 0.000 1.319 888 H CB -0.239 29.431 29.762 -0.154 0.000 1.379 888 H HN 0.438 nan 8.280 nan 0.000 0.501 889 I N 0.976 121.519 120.570 -0.044 0.000 2.179 889 I HA -0.293 3.877 4.170 0.000 0.000 0.242 889 I C 2.668 178.732 176.117 -0.088 0.000 1.088 889 I CA 1.289 62.552 61.300 -0.062 0.000 1.357 889 I CB -0.323 37.726 38.000 0.081 0.000 1.051 889 I HN 0.364 nan 8.210 nan 0.000 0.409 890 Q N 0.213 119.962 119.800 -0.084 0.000 2.291 890 Q HA -0.149 4.191 4.340 0.000 0.000 0.205 890 Q C 2.278 178.218 176.000 -0.101 0.000 0.970 890 Q CA 1.773 57.517 55.803 -0.099 0.000 0.876 890 Q CB -0.134 28.501 28.738 -0.171 0.000 0.935 890 Q HN 0.602 nan 8.270 nan 0.000 0.455 891 S N 0.039 115.667 115.700 -0.120 0.000 2.496 891 S HA -0.036 4.434 4.470 0.000 0.000 0.224 891 S C 0.806 175.336 174.600 -0.116 0.000 0.996 891 S CA 0.198 58.337 58.200 -0.103 0.000 0.927 891 S CB 0.134 63.282 63.200 -0.085 0.000 0.774 891 S HN 0.308 nan 8.310 nan 0.000 0.524 892 N N 1.769 120.371 118.700 -0.164 0.000 2.778 892 N HA -0.170 4.570 4.740 0.000 0.000 0.249 892 N C -0.184 175.235 175.510 -0.151 0.000 1.069 892 N CA 1.457 54.417 53.050 -0.150 0.000 0.831 892 N CB -1.605 36.833 38.487 -0.083 0.000 1.142 892 N HN 1.010 nan 8.380 nan 0.000 0.573 893 E N 0.550 120.634 120.200 -0.193 0.000 2.383 893 E HA 0.194 4.545 4.350 0.000 0.000 0.264 893 E C 1.015 177.579 176.600 -0.059 0.000 1.050 893 E CA -0.389 55.955 56.400 -0.093 0.000 0.896 893 E CB 0.660 30.344 29.700 -0.027 0.000 0.982 893 E HN 0.255 nan 8.360 nan 0.000 0.424 894 L N 1.438 122.699 121.223 0.062 0.000 2.354 894 L HA 0.174 4.514 4.340 0.000 0.000 0.212 894 L C 0.658 177.673 176.870 0.242 0.000 1.091 894 L CA 0.296 55.237 54.840 0.168 0.000 0.828 894 L CB 0.063 42.209 42.059 0.145 0.000 0.973 894 L HN 0.861 nan 8.230 nan 0.000 0.461 895 C N -4.113 115.287 119.300 0.167 0.000 3.211 895 C HA 0.498 4.958 4.460 0.000 0.000 0.350 895 C C 0.198 175.239 174.990 0.085 0.000 1.413 895 C CA -1.111 57.976 59.018 0.115 0.000 1.203 895 C CB 0.867 28.649 27.740 0.069 0.000 1.506 895 C HN 0.218 nan 8.230 nan 0.000 0.448 896 S N 0.585 116.318 115.700 0.054 0.000 2.603 896 S HA 0.351 4.821 4.470 0.000 0.000 0.268 896 S C 0.810 175.420 174.600 0.017 0.000 1.317 896 S CA 0.427 58.653 58.200 0.044 0.000 1.012 896 S CB 1.164 64.386 63.200 0.037 0.000 0.926 896 S HN 1.125 nan 8.310 nan 0.000 0.539 897 K N 0.629 121.039 120.400 0.017 0.000 2.147 897 K HA -0.051 4.269 4.320 0.000 0.000 0.205 897 K C 2.128 178.718 176.600 -0.017 0.000 1.049 897 K CA 1.468 57.759 56.287 0.006 0.000 0.936 897 K CB -0.442 32.064 32.500 0.011 0.000 0.722 897 K HN 0.623 nan 8.250 nan 0.000 0.446 898 Q N 0.007 119.787 119.800 -0.033 0.000 2.170 898 Q HA -0.131 4.209 4.340 0.000 0.000 0.203 898 Q C 1.917 177.834 176.000 -0.137 0.000 0.976 898 Q CA 1.026 56.783 55.803 -0.076 0.000 0.858 898 Q CB -0.314 28.370 28.738 -0.089 0.000 0.907 898 Q HN 0.289 nan 8.270 nan 0.000 0.433 899 L N 1.073 122.211 121.223 -0.142 0.000 2.275 899 L HA -0.100 4.240 4.340 0.000 0.000 0.215 899 L C 2.127 178.958 176.870 -0.066 0.000 1.119 899 L CA 1.872 56.614 54.840 -0.163 0.000 0.790 899 L CB -0.609 41.384 42.059 -0.109 0.000 0.919 899 L HN 0.283 nan 8.230 nan 0.000 0.443 900 T N -3.099 111.436 114.554 -0.032 0.000 3.163 900 T HA 0.001 4.352 4.350 0.000 0.000 0.260 900 T C 0.506 175.199 174.700 -0.011 0.000 1.156 900 T CA 0.097 62.194 62.100 -0.004 0.000 1.072 900 T CB -0.335 68.538 68.868 0.008 0.000 0.937 900 T HN 0.083 nan 8.240 nan 0.000 0.528 901 L N 1.792 122.996 121.223 -0.031 0.000 2.342 901 L HA 0.622 4.962 4.340 0.000 0.000 0.276 901 L C -0.486 176.368 176.870 -0.028 0.000 0.997 901 L CA -0.557 54.269 54.840 -0.023 0.000 0.838 901 L CB 1.770 43.816 42.059 -0.021 0.000 1.224 901 L HN 0.016 nan 8.230 nan 0.000 0.416 902 S N 2.492 118.187 115.700 -0.008 0.000 2.645 902 S HA 0.334 4.804 4.470 0.000 0.000 0.266 902 S C -0.115 174.491 174.600 0.010 0.000 1.258 902 S CA -0.602 57.601 58.200 0.005 0.000 0.990 902 S CB 0.627 63.835 63.200 0.014 0.000 0.967 902 S HN 0.791 nan 8.310 nan 0.000 0.556 903 C N 3.199 122.513 119.300 0.024 0.000 2.596 903 C HA 0.098 4.558 4.460 0.000 0.000 0.414 903 C C -0.747 174.250 174.990 0.011 0.000 1.396 903 C CA -0.827 58.204 59.018 0.022 0.000 1.698 903 C CB -0.664 27.093 27.740 0.028 0.000 2.572 903 C HN 0.709 nan 8.230 nan 0.000 0.604 904 P HA -0.102 nan 4.420 nan 0.000 0.217 904 P C 0.640 177.941 177.300 0.003 0.000 1.148 904 P CA 1.460 64.563 63.100 0.005 0.000 0.828 904 P CB 0.072 31.775 31.700 0.004 0.000 0.783 905 L N -2.295 118.929 121.223 0.001 0.000 3.066 905 L HA 0.213 4.553 4.340 0.000 0.000 0.265 905 L C 0.535 177.403 176.870 -0.002 0.000 1.232 905 L CA -0.701 54.137 54.840 -0.002 0.000 1.031 905 L CB -0.067 41.988 42.059 -0.007 0.000 1.379 905 L HN -0.038 nan 8.230 nan 0.000 0.563 906 C N 1.301 120.602 119.300 0.003 0.000 2.642 906 C HA 0.193 4.654 4.460 0.000 0.000 0.420 906 C C 1.753 176.745 174.990 0.002 0.000 1.349 906 C CA -0.000 59.021 59.018 0.005 0.000 1.821 906 C CB 0.292 28.039 27.740 0.013 0.000 2.637 906 C HN 0.439 nan 8.230 nan 0.000 0.605 907 V N 3.273 123.187 119.914 -0.000 0.000 3.159 907 V HA 0.349 4.470 4.120 0.000 0.000 0.333 907 V C 0.289 176.385 176.094 0.003 0.000 1.424 907 V CA 0.022 62.322 62.300 0.000 0.000 1.125 907 V CB -0.860 30.961 31.823 -0.003 0.000 1.075 907 V HN 0.849 nan 8.190 nan 0.000 0.482 908 N N 3.033 121.736 118.700 0.006 0.000 2.469 908 N HA 0.449 5.189 4.740 0.000 0.000 0.253 908 N C -1.192 174.323 175.510 0.009 0.000 0.970 908 N CA -2.067 50.989 53.050 0.010 0.000 0.940 908 N CB 2.273 40.768 38.487 0.012 0.000 1.128 908 N HN 0.146 nan 8.380 nan 0.000 0.503 909 P HA -0.140 nan 4.420 nan 0.000 0.221 909 P C 1.271 178.565 177.300 -0.011 0.000 1.145 909 P CA 0.553 63.656 63.100 0.005 0.000 0.795 909 P CB 0.618 32.328 31.700 0.016 0.000 0.775 910 V N -0.064 119.851 119.914 0.002 0.000 2.626 910 V HA -0.196 3.924 4.120 0.000 0.000 0.252 910 V C 2.414 178.458 176.094 -0.083 0.000 1.067 910 V CA 1.692 63.977 62.300 -0.025 0.000 1.081 910 V CB -1.165 30.693 31.823 0.058 0.000 0.686 910 V HN 0.164 nan 8.190 nan 0.000 0.468 911 C N -0.160 119.126 119.300 -0.024 0.000 2.413 911 C HA -0.162 4.299 4.460 0.000 0.000 0.276 911 C C 2.763 177.737 174.990 -0.027 0.000 1.236 911 C CA 1.665 60.683 59.018 -0.001 0.000 1.735 911 C CB -1.362 26.395 27.740 0.029 0.000 2.031 911 C HN 0.645 nan 8.230 nan 0.000 0.474 912 R N 0.764 121.239 120.500 -0.043 0.000 2.092 912 R HA -0.108 4.232 4.340 0.000 0.000 0.231 912 R C 2.134 178.375 176.300 -0.099 0.000 1.119 912 R CA 1.267 57.341 56.100 -0.043 0.000 0.970 912 R CB -0.177 30.105 30.300 -0.029 0.000 0.864 912 R HN 0.502 nan 8.270 nan 0.000 0.440 913 E N -0.254 119.812 120.200 -0.223 0.000 2.072 913 E HA -0.111 4.240 4.350 0.000 0.000 0.191 913 E C 1.908 178.174 176.600 -0.557 0.000 0.985 913 E CA 1.620 57.749 56.400 -0.451 0.000 0.801 913 E CB -0.215 29.018 29.700 -0.778 0.000 0.750 913 E HN 0.358 nan 8.360 nan 0.000 0.452 914 T N 1.739 116.020 114.554 -0.455 0.000 2.777 914 T HA -0.127 4.224 4.350 0.000 0.000 0.266 914 T C 1.823 176.649 174.700 0.209 0.000 1.040 914 T CA 1.229 63.261 62.100 -0.114 0.000 1.141 914 T CB -0.010 68.887 68.868 0.048 0.000 0.868 914 T HN 0.049 nan 8.240 nan 0.000 0.444 915 K N 1.281 121.761 120.400 0.134 0.000 2.032 915 K HA -0.096 4.224 4.320 0.000 0.000 0.209 915 K C 2.617 179.330 176.600 0.187 0.000 1.048 915 K CA 1.713 58.112 56.287 0.187 0.000 0.927 915 K CB -0.646 31.905 32.500 0.086 0.000 0.712 915 K HN 0.290 nan 8.250 nan 0.000 0.441 916 S N 0.108 115.863 115.700 0.090 0.000 2.399 916 S HA -0.152 4.318 4.470 0.000 0.000 0.231 916 S C 1.842 176.490 174.600 0.081 0.000 1.022 916 S CA 1.027 59.267 58.200 0.067 0.000 0.983 916 S CB -0.517 62.698 63.200 0.024 0.000 0.803 916 S HN 0.435 nan 8.310 nan 0.000 0.480 917 F N 1.132 121.046 119.950 -0.060 0.000 2.126 917 F HA -0.072 4.455 4.527 0.000 0.000 0.299 917 F C 1.480 177.135 175.800 -0.241 0.000 1.096 917 F CA 1.742 59.646 58.000 -0.159 0.000 1.255 917 F CB -0.504 38.359 39.000 -0.229 0.000 0.997 917 F HN 0.304 nan 8.300 nan 0.000 0.479 918 F N 0.102 120.102 119.950 0.083 0.000 2.219 918 F HA -0.066 4.461 4.527 0.000 0.000 0.294 918 F C 2.782 178.575 175.800 -0.012 0.000 1.086 918 F CA 1.470 59.479 58.000 0.015 0.000 1.330 918 F CB -1.199 37.899 39.000 0.163 0.000 1.047 918 F HN 0.012 nan 8.300 nan 0.000 0.495 919 T N -3.540 111.121 114.554 0.179 0.000 2.962 919 T HA -0.088 4.262 4.350 0.000 0.000 0.270 919 T C 1.685 176.401 174.700 0.027 0.000 1.088 919 T CA 1.427 63.585 62.100 0.097 0.000 1.127 919 T CB -0.484 68.432 68.868 0.080 0.000 0.883 919 T HN 0.086 nan 8.240 nan 0.000 0.493 920 S N 0.844 116.530 115.700 -0.024 0.000 2.575 920 S HA 0.181 4.651 4.470 0.000 0.000 0.215 920 S C 0.658 175.196 174.600 -0.104 0.000 0.966 920 S CA -0.379 57.787 58.200 -0.057 0.000 0.911 920 S CB -0.088 63.078 63.200 -0.057 0.000 0.780 920 S HN 0.487 nan 8.310 nan 0.000 0.514 921 Q N 2.045 121.761 119.800 -0.140 0.000 2.349 921 Q HA 0.022 4.362 4.340 0.000 0.000 0.287 921 Q C 0.235 176.190 176.000 -0.076 0.000 1.044 921 Q CA 0.398 56.109 55.803 -0.154 0.000 0.918 921 Q CB 0.224 28.893 28.738 -0.115 0.000 1.242 921 Q HN 0.475 nan 8.270 nan 0.000 0.405 922 Q N 1.899 121.654 119.800 -0.075 0.000 2.313 922 Q HA 0.119 4.460 4.340 0.000 0.000 0.266 922 Q C -0.689 175.292 176.000 -0.032 0.000 0.989 922 Q CA -0.439 55.336 55.803 -0.047 0.000 0.890 922 Q CB 0.499 29.210 28.738 -0.046 0.000 1.200 922 Q HN 0.342 nan 8.270 nan 0.000 0.396 923 L N 0.000 121.208 121.223 -0.025 0.000 2.949 923 L HA 0.000 4.340 4.340 0.000 0.000 0.249 923 L CA 0.000 54.827 54.840 -0.021 0.000 0.813 923 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 923 L HN 0.000 nan 8.230 nan 0.000 0.502