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 3pta_1_A DATA FIRST_RESID 647 DATA SEQUENCE AFKRRRCGVC EVCQQPECGK CKACKDMVKF GGSGRSKQAC QERRCPNMAM DATA SEQUENCE KEADDDEEVD DNIPEMPSPK KMHQGKKKKQ NKNRISWVGE AVKTDGKKSY DATA SEQUENCE YKKVCIDAET LEVGDCVSVI PDDSSKPLYL ARVTALWEDS SNGQMFHAHW DATA SEQUENCE FCAGTDTVLG ATSDPLELFL VDECEDMQLS YIHSKVKVIY KAPSENWAME DATA SEQUENCE GGMDPXXXXX XXXGKTYFYQ LWYDQDYARF ESPPKTQPTE DNKFKFCVSC DATA SEQUENCE ARLAEMRQKE IPRVLEQLED LDSRVLYYSA TKNGILYRVG DGVYLPPEAF DATA SEQUENCE TFNIKLSSPX XXXXKEPVDE DLYPEHYRKY SXXXXXXNLD APEPYRIGRI DATA SEQUENCE KEIFCPKKSN GRPNETDIKI RVNKFYRPEN THKSTPASYH ADINLLYWSD DATA SEQUENCE EEAVVDFKAV QGRCTVEYGE DLPECVQVYS MGGPNRFYFL EAYNAKSKSF DATA SEQUENCE EDPPNHARSP GXXXXXXXXX XXXXXXXXXX XXXXXXXXKL PKLRTLDVFS DATA SEQUENCE GCGGLSEGFH QAGISDTLWA IEMWDPAAQA FRLNNPGSTV FTEDCNILLK DATA SEQUENCE LVMAGETTNS RGQRLPQKGD VEMLCGGPPC QGFSGMNRFN SRTYSKFKNS DATA SEQUENCE LVVSFLSYCD YYRPRFFLLE NVRNFVSFKR SMVLKLTLRC LVRMGYQCTF DATA SEQUENCE GVLQAGQYGV AQTRRRAIIL AAAPGEKLPL FPEPLHVFAP RACQLSVVVD DATA SEQUENCE DKKFVSNITR LSSGPFRTIT VRDTMSDLPE VRNGASALEI SYNGEPQSWF DATA SEQUENCE QRQLRGAQYQ PILRDHICKD MSALVAARMR HIPLAPGSDW RDLPNIEVRL DATA SEQUENCE SDGTMARKLR YTHHDRKNGR SSSGALRGVC SCVXXXXACD PAARQFNTLI DATA SEQUENCE PWCLPHTGNR HNHWAGLYGR LEWDGFFSTT VTNPEPMGKQ GRVLHPEQHR DATA SEQUENCE VVSVRECARS QGFPDTYRLF GNILDKHRQV GNAVPPPLAK AIGLEIKLCM DATA SEQUENCE LAKA 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 647 A HA 0.000 nan 4.320 nan 0.000 0.244 647 A C 0.000 177.292 177.584 -0.486 0.000 1.274 647 A CA 0.000 51.864 52.037 -0.289 0.000 0.836 647 A CB 0.000 18.807 19.000 -0.321 0.000 0.831 648 F N 1.242 121.206 119.950 0.023 0.000 2.507 648 F HA 0.639 5.167 4.527 0.002 0.000 0.325 648 F C 0.294 176.098 175.800 0.006 0.000 1.116 648 F CA -0.619 57.388 58.000 0.012 0.000 0.930 648 F CB 1.893 40.895 39.000 0.004 0.000 1.146 648 F HN 0.010 nan 8.300 nan 0.000 0.447 649 K N 3.257 123.756 120.400 0.165 0.000 2.203 649 K HA 0.571 4.893 4.320 0.003 0.000 0.251 649 K C 0.078 176.723 176.600 0.076 0.000 0.944 649 K CA -0.876 55.467 56.287 0.094 0.000 0.829 649 K CB 1.935 34.468 32.500 0.055 0.000 1.125 649 K HN 0.633 nan 8.250 nan 0.000 0.430 650 R N 1.009 121.535 120.500 0.043 0.000 2.668 650 R HA 0.338 4.679 4.340 0.003 0.000 0.268 650 R C 0.184 176.491 176.300 0.011 0.000 1.232 650 R CA -0.526 55.582 56.100 0.013 0.000 1.166 650 R CB 0.170 30.469 30.300 -0.002 0.000 1.179 650 R HN 0.696 nan 8.270 nan 0.000 0.606 651 R N -0.770 119.727 120.500 -0.005 0.000 2.734 651 R HA 0.283 4.624 4.340 0.003 0.000 0.271 651 R C -1.141 175.151 176.300 -0.013 0.000 1.021 651 R CA -1.152 54.946 56.100 -0.004 0.000 0.893 651 R CB 0.512 30.810 30.300 -0.003 0.000 1.244 651 R HN 0.671 nan 8.270 nan 0.000 0.464 652 R N 0.582 121.077 120.500 -0.008 0.000 2.582 652 R HA 0.528 4.870 4.340 0.003 0.000 0.271 652 R C -0.169 176.119 176.300 -0.021 0.000 1.078 652 R CA -0.427 55.665 56.100 -0.013 0.000 1.127 652 R CB 0.622 30.919 30.300 -0.006 0.000 1.038 652 R HN 0.879 nan 8.270 nan 0.000 0.500 653 C N 0.151 119.433 119.300 -0.029 0.000 2.422 653 C HA 0.688 5.150 4.460 0.003 0.000 0.364 653 C C 1.237 176.205 174.990 -0.036 0.000 1.251 653 C CA -0.142 58.853 59.018 -0.039 0.000 2.441 653 C CB 0.598 28.308 27.740 -0.051 0.000 2.393 653 C HN 0.945 nan 8.230 nan 0.000 0.606 654 G N 0.859 109.632 108.800 -0.045 0.000 3.805 654 G HA2 0.441 4.403 3.960 0.003 0.000 0.290 654 G HA3 0.441 4.403 3.960 0.003 0.000 0.290 654 G C 0.379 175.232 174.900 -0.078 0.000 1.077 654 G CA 0.278 45.350 45.100 -0.046 0.000 0.852 654 G HN 0.719 nan 8.290 nan 0.000 0.531 655 V N 0.611 120.474 119.914 -0.086 0.000 3.050 655 V HA 0.063 4.185 4.120 0.003 0.000 0.223 655 V C 2.145 178.182 176.094 -0.094 0.000 1.162 655 V CA 0.559 62.788 62.300 -0.119 0.000 1.247 655 V CB -0.549 31.192 31.823 -0.137 0.000 1.125 655 V HN 0.609 nan 8.190 nan 0.000 0.508 656 C N 1.630 120.882 119.300 -0.080 0.000 2.624 656 C HA -0.094 4.367 4.460 0.003 0.000 0.396 656 C C 2.125 177.100 174.990 -0.024 0.000 1.305 656 C CA 0.575 59.560 59.018 -0.055 0.000 1.728 656 C CB -0.391 27.321 27.740 -0.046 0.000 2.628 656 C HN 0.811 nan 8.230 nan 0.000 0.622 657 E N 0.655 120.854 120.200 -0.001 0.000 2.077 657 E HA -0.139 4.213 4.350 0.003 0.000 0.193 657 E C 1.919 178.529 176.600 0.017 0.000 0.989 657 E CA 1.814 58.228 56.400 0.023 0.000 0.800 657 E CB 0.014 29.737 29.700 0.039 0.000 0.746 657 E HN 0.727 nan 8.360 nan 0.000 0.452 658 V N 0.648 120.565 119.914 0.004 0.000 2.439 658 V HA -0.369 3.752 4.120 0.003 0.000 0.253 658 V C 2.356 178.450 176.094 0.001 0.000 1.074 658 V CA 1.771 64.071 62.300 -0.001 0.000 1.076 658 V CB -0.629 31.190 31.823 -0.006 0.000 0.664 658 V HN 0.538 nan 8.190 nan 0.000 0.461 659 C N -0.990 118.311 119.300 0.001 0.000 2.495 659 C HA -0.013 4.449 4.460 0.003 0.000 0.275 659 C C 2.694 177.699 174.990 0.024 0.000 1.392 659 C CA 0.173 59.195 59.018 0.006 0.000 1.766 659 C CB -0.798 26.939 27.740 -0.004 0.000 1.933 659 C HN 0.603 nan 8.230 nan 0.000 0.519 660 Q N 0.448 120.269 119.800 0.036 0.000 2.062 660 Q HA -0.048 4.293 4.340 0.003 0.000 0.196 660 Q C 0.738 176.805 176.000 0.113 0.000 0.967 660 Q CA 0.580 56.428 55.803 0.076 0.000 0.832 660 Q CB -0.109 28.678 28.738 0.082 0.000 0.899 660 Q HN 0.698 nan 8.270 nan 0.000 0.442 661 Q N 2.513 122.353 119.800 0.067 0.000 2.348 661 Q HA -0.046 4.296 4.340 0.003 0.000 0.331 661 Q C -2.151 173.815 176.000 -0.058 0.000 1.099 661 Q CA -0.673 55.128 55.803 -0.003 0.000 1.021 661 Q CB 0.034 28.746 28.738 -0.044 0.000 1.166 661 Q HN 0.174 nan 8.270 nan 0.000 0.393 662 P HA -0.032 nan 4.420 nan 0.000 0.272 662 P C -1.154 176.056 177.300 -0.149 0.000 1.223 662 P CA -0.292 62.667 63.100 -0.235 0.000 0.784 662 P CB 0.585 31.873 31.700 -0.686 0.000 0.923 663 E N 1.152 121.324 120.200 -0.047 0.000 1.985 663 E HA 0.067 4.419 4.350 0.003 0.000 0.268 663 E C 1.182 177.782 176.600 -0.001 0.000 1.219 663 E CA -0.572 55.829 56.400 0.001 0.000 0.942 663 E CB -1.392 28.361 29.700 0.088 0.000 1.045 663 E HN 0.456 nan 8.360 nan 0.000 0.413 664 C N 2.273 121.528 119.300 -0.074 0.000 2.806 664 C HA 0.156 4.618 4.460 0.003 0.000 0.285 664 C C 1.690 176.625 174.990 -0.090 0.000 1.171 664 C CA 0.690 59.655 59.018 -0.088 0.000 1.802 664 C CB -1.553 26.122 27.740 -0.108 0.000 1.897 664 C HN 1.162 nan 8.230 nan 0.000 0.408 665 G N 0.621 109.293 108.800 -0.214 0.000 2.565 665 G HA2 0.037 3.999 3.960 0.003 0.000 0.156 665 G HA3 0.037 3.999 3.960 0.003 0.000 0.156 665 G C 0.068 174.778 174.900 -0.316 0.000 1.074 665 G CA 0.373 45.193 45.100 -0.467 0.000 0.804 665 G HN 1.074 nan 8.290 nan 0.000 0.496 666 K N -1.674 118.596 120.400 -0.217 0.000 2.562 666 K HA 0.385 4.707 4.320 0.003 0.000 0.218 666 K C 1.211 177.735 176.600 -0.126 0.000 1.374 666 K CA 0.523 56.721 56.287 -0.149 0.000 0.996 666 K CB 0.061 32.498 32.500 -0.104 0.000 1.127 666 K HN 0.855 nan 8.250 nan 0.000 0.603 667 C N 1.504 120.723 119.300 -0.134 0.000 2.345 667 C HA 0.519 4.980 4.460 0.003 0.000 0.370 667 C C 1.854 176.780 174.990 -0.107 0.000 1.209 667 C CA -0.830 58.127 59.018 -0.101 0.000 2.133 667 C CB 2.239 29.930 27.740 -0.082 0.000 2.293 667 C HN 0.399 nan 8.230 nan 0.000 0.544 668 K N 2.313 122.668 120.400 -0.076 0.000 1.980 668 K HA -0.177 4.144 4.320 0.003 0.000 0.223 668 K C 2.032 178.590 176.600 -0.069 0.000 1.052 668 K CA 2.428 58.676 56.287 -0.065 0.000 0.974 668 K CB -1.899 30.575 32.500 -0.043 0.000 0.734 668 K HN 0.978 nan 8.250 nan 0.000 0.447 669 A N 1.748 124.535 122.820 -0.055 0.000 1.842 669 A HA -0.251 4.071 4.320 0.003 0.000 0.217 669 A C 2.792 180.340 177.584 -0.061 0.000 1.206 669 A CA 2.644 54.654 52.037 -0.044 0.000 0.630 669 A CB -1.530 17.451 19.000 -0.031 0.000 0.839 669 A HN 0.711 nan 8.150 nan 0.000 0.447 670 C N -0.686 118.563 119.300 -0.084 0.000 2.396 670 C HA -0.168 4.293 4.460 0.003 0.000 0.277 670 C C 2.692 177.544 174.990 -0.230 0.000 1.231 670 C CA 2.105 61.054 59.018 -0.116 0.000 1.775 670 C CB -1.112 26.544 27.740 -0.140 0.000 2.036 670 C HN 0.654 nan 8.230 nan 0.000 0.484 671 K N 0.712 120.944 120.400 -0.279 0.000 2.167 671 K HA -0.053 4.269 4.320 0.003 0.000 0.203 671 K C 1.627 178.134 176.600 -0.156 0.000 1.052 671 K CA 1.721 57.781 56.287 -0.378 0.000 0.956 671 K CB -0.628 31.700 32.500 -0.286 0.000 0.735 671 K HN 0.505 nan 8.250 nan 0.000 0.451 672 D N 0.021 120.375 120.400 -0.076 0.000 2.378 672 D HA -0.050 4.591 4.640 0.003 0.000 0.227 672 D C 0.174 176.496 176.300 0.036 0.000 1.012 672 D CA 0.224 54.217 54.000 -0.012 0.000 0.905 672 D CB -0.036 40.756 40.800 -0.014 0.000 0.895 672 D HN 0.252 nan 8.370 nan 0.000 0.532 673 M N -0.327 119.317 119.600 0.073 0.000 2.228 673 M HA -0.093 4.389 4.480 0.003 0.000 0.303 673 M C 1.692 178.074 176.300 0.136 0.000 1.099 673 M CA -0.060 55.317 55.300 0.128 0.000 1.171 673 M CB 1.287 34.021 32.600 0.223 0.000 1.412 673 M HN -0.191 nan 8.290 nan 0.000 0.447 674 V N 1.657 121.627 119.914 0.094 0.000 2.591 674 V HA -0.137 3.984 4.120 0.003 0.000 0.249 674 V C 1.809 177.936 176.094 0.055 0.000 1.053 674 V CA 1.860 64.199 62.300 0.065 0.000 1.068 674 V CB -0.353 31.493 31.823 0.039 0.000 0.689 674 V HN 0.855 nan 8.190 nan 0.000 0.462 675 K N -1.401 119.025 120.400 0.045 0.000 2.505 675 K HA 0.027 4.349 4.320 0.003 0.000 0.192 675 K C 0.614 177.123 176.600 -0.153 0.000 1.025 675 K CA 0.396 56.651 56.287 -0.055 0.000 1.086 675 K CB -0.051 32.394 32.500 -0.092 0.000 0.840 675 K HN 0.522 nan 8.250 nan 0.000 0.514 676 F N -0.779 119.168 119.950 -0.005 0.000 2.735 676 F HA 0.257 4.785 4.527 0.003 0.000 0.308 676 F C 1.207 177.004 175.800 -0.006 0.000 1.112 676 F CA 0.219 58.215 58.000 -0.007 0.000 1.235 676 F CB 1.407 40.400 39.000 -0.011 0.000 1.027 676 F HN 0.198 nan 8.300 nan 0.000 0.528 677 G N 0.120 108.999 108.800 0.132 0.000 2.304 677 G HA2 -0.284 3.678 3.960 0.003 0.000 0.252 677 G HA3 -0.284 3.678 3.960 0.003 0.000 0.252 677 G C 1.073 176.020 174.900 0.078 0.000 1.014 677 G CA 0.000 45.152 45.100 0.087 0.000 0.619 677 G HN 0.754 nan 8.290 nan 0.000 0.525 678 G N 0.201 109.062 108.800 0.101 0.000 2.661 678 G HA2 0.468 4.429 3.960 0.003 0.000 0.272 678 G HA3 0.468 4.429 3.960 0.003 0.000 0.272 678 G C 1.453 176.381 174.900 0.046 0.000 1.296 678 G CA 1.245 46.383 45.100 0.063 0.000 0.998 678 G HN 1.436 nan 8.290 nan 0.000 0.553 679 S N -1.463 114.256 115.700 0.031 0.000 2.348 679 S HA 0.224 4.696 4.470 0.003 0.000 0.219 679 S C 2.073 176.689 174.600 0.027 0.000 1.033 679 S CA 1.430 59.645 58.200 0.025 0.000 0.974 679 S CB -0.430 62.780 63.200 0.016 0.000 0.868 679 S HN 2.378 nan 8.310 nan 0.000 0.459 680 G N 1.470 110.287 108.800 0.028 0.000 2.175 680 G HA2 -0.263 3.699 3.960 0.003 0.000 0.244 680 G HA3 -0.263 3.699 3.960 0.003 0.000 0.244 680 G C 0.800 175.712 174.900 0.020 0.000 0.982 680 G CA 0.234 45.351 45.100 0.029 0.000 0.641 680 G HN 0.520 nan 8.290 nan 0.000 0.527 681 R N 0.541 121.050 120.500 0.016 0.000 2.357 681 R HA 0.181 4.522 4.340 0.003 0.000 0.202 681 R C 2.428 178.734 176.300 0.010 0.000 1.047 681 R CA 1.032 57.139 56.100 0.012 0.000 1.034 681 R CB -0.059 30.247 30.300 0.010 0.000 0.875 681 R HN 0.374 nan 8.270 nan 0.000 0.473 682 S N 0.752 116.459 115.700 0.010 0.000 2.427 682 S HA -0.007 4.465 4.470 0.003 0.000 0.224 682 S C -0.035 174.571 174.600 0.010 0.000 1.047 682 S CA 0.168 58.373 58.200 0.008 0.000 0.953 682 S CB 0.197 63.399 63.200 0.004 0.000 0.824 682 S HN 0.225 nan 8.310 nan 0.000 0.502 683 K N 1.195 121.604 120.400 0.014 0.000 4.868 683 K HA -0.111 4.211 4.320 0.003 0.000 0.324 683 K C -0.662 175.946 176.600 0.013 0.000 0.971 683 K CA 0.379 56.675 56.287 0.016 0.000 1.034 683 K CB -0.950 31.559 32.500 0.014 0.000 1.672 683 K HN 0.377 nan 8.250 nan 0.000 0.426 684 Q N -0.657 119.151 119.800 0.014 0.000 2.893 684 Q HA 0.801 5.142 4.340 0.003 0.000 0.331 684 Q C -0.980 175.028 176.000 0.012 0.000 0.893 684 Q CA -0.495 55.314 55.803 0.010 0.000 0.783 684 Q CB 2.147 30.887 28.738 0.002 0.000 1.440 684 Q HN 0.462 nan 8.270 nan 0.000 0.508 685 A N -0.033 122.791 122.820 0.006 0.000 2.386 685 A HA 0.583 4.905 4.320 0.003 0.000 0.308 685 A C -0.409 177.172 177.584 -0.006 0.000 1.128 685 A CA -0.504 51.538 52.037 0.007 0.000 0.789 685 A CB 1.030 20.035 19.000 0.008 0.000 1.325 685 A HN 0.743 nan 8.150 nan 0.000 0.437 686 C N 0.610 119.904 119.300 -0.008 0.000 2.665 686 C HA 0.218 4.680 4.460 0.003 0.000 0.416 686 C C 2.023 176.996 174.990 -0.029 0.000 1.305 686 C CA 0.785 59.786 59.018 -0.028 0.000 1.903 686 C CB -0.303 27.419 27.740 -0.030 0.000 2.704 686 C HN 1.008 nan 8.230 nan 0.000 0.629 687 Q N 2.169 121.946 119.800 -0.039 0.000 2.364 687 Q HA -0.067 4.275 4.340 0.003 0.000 0.207 687 Q C 1.246 177.227 176.000 -0.031 0.000 0.970 687 Q CA 2.027 57.810 55.803 -0.033 0.000 0.888 687 Q CB -0.240 28.475 28.738 -0.038 0.000 0.951 687 Q HN 0.819 nan 8.270 nan 0.000 0.469 688 E N 0.254 120.432 120.200 -0.037 0.000 2.437 688 E HA 0.172 4.524 4.350 0.003 0.000 0.195 688 E C 0.303 176.885 176.600 -0.029 0.000 1.029 688 E CA -0.049 56.329 56.400 -0.037 0.000 0.948 688 E CB 0.163 29.832 29.700 -0.051 0.000 1.082 688 E HN 0.402 nan 8.360 nan 0.000 0.456 689 R N -0.069 120.418 120.500 -0.021 0.000 2.531 689 R HA 0.191 4.532 4.340 0.003 0.000 0.316 689 R C -0.109 176.187 176.300 -0.008 0.000 0.955 689 R CA -0.298 55.794 56.100 -0.012 0.000 1.120 689 R CB 0.440 30.736 30.300 -0.007 0.000 1.361 689 R HN 0.018 nan 8.270 nan 0.000 0.534 690 R N 1.113 121.607 120.500 -0.009 0.000 2.723 690 R HA 0.020 4.361 4.340 0.003 0.000 0.358 690 R C -0.097 176.200 176.300 -0.004 0.000 0.966 690 R CA -0.049 56.048 56.100 -0.005 0.000 1.022 690 R CB -0.403 29.894 30.300 -0.005 0.000 0.945 690 R HN -0.004 nan 8.270 nan 0.000 0.420 691 C N 6.893 126.191 119.300 -0.003 0.000 2.651 691 C HA 0.180 4.642 4.460 0.003 0.000 0.410 691 C C -0.390 174.598 174.990 -0.003 0.000 1.372 691 C CA -1.653 57.362 59.018 -0.006 0.000 1.707 691 C CB 0.414 28.149 27.740 -0.008 0.000 2.501 691 C HN 0.814 nan 8.230 nan 0.000 0.598 692 P HA -0.034 nan 4.420 nan 0.000 0.217 692 P C 0.643 177.943 177.300 0.001 0.000 1.153 692 P CA 1.312 64.413 63.100 0.002 0.000 0.843 692 P CB -0.011 31.689 31.700 -0.000 0.000 0.794 693 N N 0.145 118.837 118.700 -0.013 0.000 2.567 693 N HA 0.020 4.762 4.740 0.003 0.000 0.195 693 N C 0.957 176.451 175.510 -0.026 0.000 1.242 693 N CA 0.097 53.133 53.050 -0.023 0.000 0.884 693 N CB -0.633 37.828 38.487 -0.044 0.000 1.007 693 N HN 0.334 nan 8.380 nan 0.000 0.450 694 M N 1.309 120.900 119.600 -0.015 0.000 2.260 694 M HA 0.167 4.649 4.480 0.003 0.000 0.348 694 M C -0.271 176.013 176.300 -0.027 0.000 1.342 694 M CA 0.369 55.658 55.300 -0.017 0.000 1.040 694 M CB 0.273 32.870 32.600 -0.004 0.000 1.810 694 M HN 0.189 nan 8.290 nan 0.000 0.453 695 A N 5.513 128.306 122.820 -0.045 0.000 2.566 695 A HA 0.474 4.796 4.320 0.003 0.000 0.290 695 A C -1.076 176.461 177.584 -0.079 0.000 1.071 695 A CA -0.950 51.042 52.037 -0.076 0.000 0.658 695 A CB 1.109 20.040 19.000 -0.115 0.000 1.285 695 A HN 0.908 nan 8.150 nan 0.000 0.427 696 M N 1.001 120.539 119.600 -0.104 0.000 2.249 696 M HA 0.158 4.640 4.480 0.003 0.000 0.340 696 M C 0.642 176.877 176.300 -0.108 0.000 1.166 696 M CA 0.158 55.402 55.300 -0.093 0.000 1.115 696 M CB 0.522 33.049 32.600 -0.122 0.000 1.606 696 M HN 0.572 nan 8.290 nan 0.000 0.448 697 K N 3.195 123.544 120.400 -0.085 0.000 2.665 697 K HA -0.028 4.293 4.320 0.003 0.000 0.214 697 K C 0.927 177.447 176.600 -0.133 0.000 1.032 697 K CA 0.226 56.459 56.287 -0.090 0.000 1.198 697 K CB -0.176 32.289 32.500 -0.058 0.000 0.941 697 K HN 0.714 nan 8.250 nan 0.000 0.491 698 E N -0.506 119.589 120.200 -0.176 0.000 2.409 698 E HA -0.107 4.245 4.350 0.003 0.000 0.198 698 E C 0.035 176.508 176.600 -0.211 0.000 1.024 698 E CA 0.255 56.512 56.400 -0.237 0.000 0.861 698 E CB -0.430 29.100 29.700 -0.283 0.000 0.788 698 E HN 0.122 nan 8.360 nan 0.000 0.521 699 A N 2.990 125.715 122.820 -0.159 0.000 2.476 699 A HA 0.108 4.429 4.320 0.003 0.000 0.275 699 A C 0.179 177.704 177.584 -0.098 0.000 1.133 699 A CA -0.025 51.939 52.037 -0.122 0.000 0.797 699 A CB -0.116 18.826 19.000 -0.097 0.000 1.081 699 A HN 0.374 nan 8.150 nan 0.000 0.510 700 D N 1.973 122.328 120.400 -0.075 0.000 2.538 700 D HA 0.287 4.928 4.640 0.003 0.000 0.262 700 D C 0.097 176.442 176.300 0.075 0.000 1.186 700 D CA 0.384 54.380 54.000 -0.006 0.000 1.090 700 D CB -0.396 40.401 40.800 -0.005 0.000 1.187 700 D HN 0.664 nan 8.370 nan 0.000 0.614 701 D N -1.449 119.071 120.400 0.200 0.000 2.751 701 D HA -0.175 4.466 4.640 0.003 0.000 0.233 701 D C -1.202 175.125 176.300 0.045 0.000 1.149 701 D CA 0.398 54.459 54.000 0.101 0.000 0.682 701 D CB -1.997 38.831 40.800 0.046 0.000 1.068 701 D HN 0.201 nan 8.370 nan 0.000 0.429 702 D N 1.307 121.738 120.400 0.051 0.000 2.346 702 D HA 0.031 4.672 4.640 0.003 0.000 0.267 702 D C 0.602 176.907 176.300 0.009 0.000 1.320 702 D CA 0.245 54.257 54.000 0.019 0.000 0.951 702 D CB 0.353 41.161 40.800 0.014 0.000 1.079 702 D HN 0.544 nan 8.370 nan 0.000 0.509 703 E N 2.612 122.812 120.200 0.001 0.000 1.537 703 E HA -0.254 4.097 4.350 0.003 0.000 0.325 703 E C -0.448 176.144 176.600 -0.013 0.000 0.543 703 E CA 0.497 56.894 56.400 -0.006 0.000 1.199 703 E CB 0.024 29.720 29.700 -0.007 0.000 0.592 703 E HN 0.327 nan 8.360 nan 0.000 0.371 704 E N 1.227 121.417 120.200 -0.016 0.000 2.249 704 E HA 0.331 4.683 4.350 0.003 0.000 0.263 704 E C 0.255 176.839 176.600 -0.025 0.000 0.950 704 E CA -0.624 55.764 56.400 -0.021 0.000 0.827 704 E CB 1.253 30.939 29.700 -0.023 0.000 1.220 704 E HN 0.156 nan 8.360 nan 0.000 0.411 705 V N -1.413 118.485 119.914 -0.027 0.000 3.170 705 V HA 0.194 4.315 4.120 0.003 0.000 0.354 705 V C 0.218 176.296 176.094 -0.028 0.000 1.350 705 V CA 0.211 62.495 62.300 -0.025 0.000 1.244 705 V CB -0.858 30.950 31.823 -0.026 0.000 1.222 705 V HN 0.650 nan 8.190 nan 0.000 0.478 706 D N 1.075 121.454 120.400 -0.035 0.000 2.317 706 D HA -0.177 4.464 4.640 0.003 0.000 0.211 706 D C 1.373 177.651 176.300 -0.036 0.000 0.966 706 D CA 1.283 55.259 54.000 -0.039 0.000 0.876 706 D CB -0.162 40.604 40.800 -0.057 0.000 0.927 706 D HN 0.571 nan 8.370 nan 0.000 0.519 707 D N -0.358 120.022 120.400 -0.033 0.000 2.234 707 D HA -0.106 4.536 4.640 0.003 0.000 0.205 707 D C 0.709 176.999 176.300 -0.016 0.000 0.962 707 D CA 0.157 54.142 54.000 -0.025 0.000 0.855 707 D CB -0.517 40.269 40.800 -0.024 0.000 0.951 707 D HN 0.046 nan 8.370 nan 0.000 0.500 708 N N 1.097 119.787 118.700 -0.015 0.000 2.294 708 N HA 0.058 4.799 4.740 0.003 0.000 0.275 708 N C 0.905 176.407 175.510 -0.014 0.000 1.291 708 N CA -0.290 52.753 53.050 -0.012 0.000 0.933 708 N CB 0.364 38.845 38.487 -0.011 0.000 1.096 708 N HN -0.044 nan 8.380 nan 0.000 0.525 709 I N -0.277 120.286 120.570 -0.012 0.000 6.679 709 I HA -0.186 3.985 4.170 0.003 0.000 0.126 709 I C -1.209 174.899 176.117 -0.016 0.000 1.811 709 I CA 0.022 61.314 61.300 -0.014 0.000 2.117 709 I CB -2.272 35.718 38.000 -0.016 0.000 3.492 709 I HN 0.552 nan 8.210 nan 0.000 0.193 710 P HA -0.094 nan 4.420 nan 0.000 0.222 710 P C 0.599 177.887 177.300 -0.019 0.000 1.153 710 P CA 0.700 63.790 63.100 -0.015 0.000 0.798 710 P CB 0.200 31.892 31.700 -0.012 0.000 0.796 711 E N 0.902 121.092 120.200 -0.017 0.000 3.025 711 E HA 0.033 4.385 4.350 0.003 0.000 0.248 711 E C 0.321 176.906 176.600 -0.025 0.000 0.938 711 E CA 1.099 57.487 56.400 -0.019 0.000 0.958 711 E CB -0.366 29.325 29.700 -0.016 0.000 0.898 711 E HN 0.234 nan 8.360 nan 0.000 0.537 712 M N 3.914 123.497 119.600 -0.028 0.000 2.529 712 M HA 0.198 4.680 4.480 0.003 0.000 0.291 712 M C -2.730 173.547 176.300 -0.040 0.000 1.093 712 M CA -1.080 54.197 55.300 -0.038 0.000 0.890 712 M CB 1.911 34.481 32.600 -0.050 0.000 1.794 712 M HN 0.155 nan 8.290 nan 0.000 0.524 713 P HA 0.526 nan 4.420 nan 0.000 0.278 713 P C -1.124 176.144 177.300 -0.052 0.000 1.266 713 P CA -0.476 62.600 63.100 -0.040 0.000 0.807 713 P CB 0.926 32.604 31.700 -0.037 0.000 1.094 714 S N 0.107 115.782 115.700 -0.042 0.000 2.584 714 S HA 0.344 4.816 4.470 0.003 0.000 0.273 714 S C -1.315 173.252 174.600 -0.056 0.000 1.311 714 S CA -0.792 57.382 58.200 -0.044 0.000 1.034 714 S CB 0.218 63.407 63.200 -0.018 0.000 0.939 714 S HN 0.391 nan 8.310 nan 0.000 0.513 715 P HA -0.014 nan 4.420 nan 0.000 0.215 715 P C -0.429 176.844 177.300 -0.045 0.000 1.173 715 P CA 0.480 63.543 63.100 -0.062 0.000 0.663 715 P CB -0.342 31.321 31.700 -0.061 0.000 0.720 716 K N 0.146 120.523 120.400 -0.038 0.000 3.278 716 K HA -0.233 4.088 4.320 0.003 0.000 0.270 716 K C 0.756 177.318 176.600 -0.062 0.000 0.955 716 K CA 1.248 57.502 56.287 -0.056 0.000 0.723 716 K CB -2.290 30.172 32.500 -0.063 0.000 1.382 716 K HN 0.418 nan 8.250 nan 0.000 0.461 717 K N 0.395 120.761 120.400 -0.057 0.000 2.277 717 K HA -0.277 4.045 4.320 0.003 0.000 0.206 717 K C 1.256 177.786 176.600 -0.115 0.000 1.044 717 K CA 2.117 58.357 56.287 -0.079 0.000 0.932 717 K CB -0.431 32.020 32.500 -0.081 0.000 0.726 717 K HN 0.622 nan 8.250 nan 0.000 0.473 718 M N -1.318 118.206 119.600 -0.126 0.000 2.939 718 M HA -0.238 4.244 4.480 0.003 0.000 0.202 718 M C -0.320 175.811 176.300 -0.281 0.000 0.592 718 M CA 1.612 56.811 55.300 -0.168 0.000 0.749 718 M CB -2.287 30.234 32.600 -0.132 0.000 2.692 718 M HN 0.602 nan 8.290 nan 0.000 0.382 719 H N -0.303 118.489 119.070 -0.463 0.000 2.820 719 H HA -0.089 4.468 4.556 0.003 0.000 0.295 719 H C 0.484 175.352 175.328 -0.766 0.000 1.187 719 H CA 2.551 58.144 56.048 -0.760 0.000 1.144 719 H CB -1.027 27.997 29.762 -1.231 0.000 1.354 719 H HN 1.073 nan 8.280 nan 0.000 0.395 720 Q N -2.570 117.021 119.800 -0.349 0.000 0.459 720 Q HA -0.018 4.323 4.340 0.003 0.000 0.299 720 Q C 0.397 176.291 176.000 -0.177 0.000 1.085 720 Q CA 2.030 57.718 55.803 -0.191 0.000 0.312 720 Q CB -1.146 27.560 28.738 -0.053 0.000 5.515 720 Q HN 0.964 nan 8.270 nan 0.000 0.317 721 G N -0.336 108.423 108.800 -0.070 0.000 2.766 721 G HA2 0.631 4.593 3.960 0.003 0.000 0.288 721 G HA3 0.631 4.593 3.960 0.003 0.000 0.288 721 G C -1.508 173.407 174.900 0.024 0.000 1.408 721 G CA -0.177 44.898 45.100 -0.041 0.000 0.852 721 G HN 0.653 nan 8.290 nan 0.000 0.487 722 K N -0.240 120.185 120.400 0.043 0.000 4.868 722 K HA -0.138 4.183 4.320 0.003 0.000 0.314 722 K C -0.690 175.991 176.600 0.136 0.000 0.932 722 K CA 0.655 56.995 56.287 0.089 0.000 0.998 722 K CB -0.749 31.793 32.500 0.070 0.000 1.704 722 K HN 0.475 nan 8.250 nan 0.000 0.426 723 K N 2.081 122.593 120.400 0.186 0.000 2.276 723 K HA 0.088 4.410 4.320 0.003 0.000 0.285 723 K C 0.202 177.015 176.600 0.355 0.000 1.062 723 K CA -0.574 55.875 56.287 0.270 0.000 0.918 723 K CB 0.732 33.423 32.500 0.318 0.000 1.055 723 K HN 0.326 nan 8.250 nan 0.000 0.477 724 K N 1.677 122.211 120.400 0.225 0.000 2.586 724 K HA -0.107 4.215 4.320 0.003 0.000 0.280 724 K C -0.282 176.425 176.600 0.178 0.000 0.972 724 K CA 0.443 56.825 56.287 0.159 0.000 1.040 724 K CB 0.418 32.959 32.500 0.068 0.000 0.870 724 K HN 0.413 nan 8.250 nan 0.000 0.497 725 K N 2.241 122.634 120.400 -0.011 0.000 2.130 725 K HA 0.120 4.442 4.320 0.003 0.000 0.268 725 K C -0.634 175.853 176.600 -0.188 0.000 0.983 725 K CA -0.680 55.399 56.287 -0.347 0.000 0.893 725 K CB 0.873 33.047 32.500 -0.543 0.000 1.066 725 K HN 0.638 nan 8.250 nan 0.000 0.450 726 Q N 1.862 121.546 119.800 -0.193 0.000 2.257 726 Q HA 0.291 4.633 4.340 0.003 0.000 0.262 726 Q C -0.761 175.172 176.000 -0.113 0.000 0.997 726 Q CA -0.824 54.926 55.803 -0.089 0.000 0.873 726 Q CB 1.634 30.363 28.738 -0.015 0.000 1.312 726 Q HN 0.589 nan 8.270 nan 0.000 0.450 727 N N 1.612 120.268 118.700 -0.073 0.000 2.455 727 N HA 0.193 4.935 4.740 0.003 0.000 0.280 727 N C -0.847 174.622 175.510 -0.069 0.000 1.055 727 N CA -0.314 52.693 53.050 -0.071 0.000 0.961 727 N CB 1.078 39.534 38.487 -0.051 0.000 1.121 727 N HN 0.306 nan 8.380 nan 0.000 0.476 728 K N 0.453 120.805 120.400 -0.079 0.000 2.259 728 K HA 0.422 4.744 4.320 0.003 0.000 0.252 728 K C 0.276 176.831 176.600 -0.075 0.000 0.936 728 K CA -0.692 55.544 56.287 -0.084 0.000 0.810 728 K CB 1.460 33.894 32.500 -0.109 0.000 1.143 728 K HN 0.345 nan 8.250 nan 0.000 0.427 729 N N 0.468 119.125 118.700 -0.071 0.000 2.258 729 N HA -0.029 4.713 4.740 0.003 0.000 0.183 729 N C -0.049 175.419 175.510 -0.069 0.000 1.029 729 N CA 0.271 53.285 53.050 -0.061 0.000 0.857 729 N CB 0.240 38.695 38.487 -0.053 0.000 1.008 729 N HN 0.351 nan 8.380 nan 0.000 0.433 730 R N 1.110 121.559 120.500 -0.085 0.000 2.604 730 R HA 0.463 4.805 4.340 0.003 0.000 0.281 730 R C -2.008 174.208 176.300 -0.139 0.000 1.020 730 R CA -0.375 55.666 56.100 -0.098 0.000 0.899 730 R CB 1.302 31.553 30.300 -0.080 0.000 1.205 730 R HN 0.038 nan 8.270 nan 0.000 0.450 731 I N 2.199 122.663 120.570 -0.177 0.000 2.560 731 I HA 0.159 4.331 4.170 0.003 0.000 0.278 731 I C -0.474 175.434 176.117 -0.349 0.000 1.089 731 I CA -0.412 60.723 61.300 -0.274 0.000 1.086 731 I CB 1.896 39.711 38.000 -0.309 0.000 1.202 731 I HN 0.380 nan 8.210 nan 0.000 0.471 732 S N 4.305 119.815 115.700 -0.316 0.000 2.503 732 S HA 0.616 5.088 4.470 0.003 0.000 0.301 732 S C -0.618 173.785 174.600 -0.329 0.000 1.087 732 S CA -0.414 57.611 58.200 -0.291 0.000 1.042 732 S CB 1.149 64.274 63.200 -0.125 0.000 1.043 732 S HN 0.404 nan 8.310 nan 0.000 0.489 733 W N 2.066 123.222 121.300 -0.241 0.000 1.777 733 W HA 0.550 5.211 4.660 0.003 0.000 0.376 733 W C -0.382 175.993 176.519 -0.240 0.000 1.628 733 W CA -0.469 56.646 57.345 -0.383 0.000 1.760 733 W CB 0.329 29.237 29.460 -0.920 0.000 1.367 733 W HN 0.355 nan 8.180 nan 0.000 0.722 734 V N 1.320 121.310 119.914 0.126 0.000 2.655 734 V HA 0.704 4.826 4.120 0.003 0.000 0.301 734 V C 0.296 176.518 176.094 0.214 0.000 1.082 734 V CA -0.388 61.992 62.300 0.132 0.000 0.899 734 V CB 0.693 32.582 31.823 0.110 0.000 1.014 734 V HN 1.056 nan 8.190 nan 0.000 0.429 735 G N 4.338 113.254 108.800 0.193 0.000 2.685 735 G HA2 -0.062 3.900 3.960 0.003 0.000 0.387 735 G HA3 -0.062 3.900 3.960 0.003 0.000 0.387 735 G C -0.498 174.580 174.900 0.297 0.000 1.324 735 G CA -0.063 45.160 45.100 0.206 0.000 0.878 735 G HN 1.170 nan 8.290 nan 0.000 0.527 736 E N 0.013 120.309 120.200 0.159 0.000 2.283 736 E HA 0.614 4.966 4.350 0.003 0.000 0.278 736 E C 0.547 177.038 176.600 -0.182 0.000 1.027 736 E CA -0.325 56.108 56.400 0.055 0.000 0.843 736 E CB 1.434 31.127 29.700 -0.012 0.000 1.062 736 E HN 1.808 nan 8.360 nan 0.000 0.401 737 A N 3.535 126.015 122.820 -0.566 0.000 2.572 737 A HA -0.011 4.311 4.320 0.003 0.000 0.256 737 A C 1.442 178.709 177.584 -0.530 0.000 1.041 737 A CA 0.308 51.715 52.037 -1.050 0.000 0.790 737 A CB -0.393 18.085 19.000 -0.871 0.000 0.947 737 A HN 0.892 nan 8.150 nan 0.000 0.518 738 V N -0.039 119.609 119.914 -0.443 0.000 2.317 738 V HA -0.101 4.021 4.120 0.003 0.000 0.251 738 V C 0.706 176.484 176.094 -0.527 0.000 1.065 738 V CA 1.910 63.991 62.300 -0.366 0.000 1.049 738 V CB -0.803 30.850 31.823 -0.284 0.000 0.651 738 V HN 0.758 nan 8.190 nan 0.000 0.450 739 K N -0.303 119.790 120.400 -0.511 0.000 2.582 739 K HA 0.357 4.678 4.320 0.003 0.000 0.259 739 K C -1.135 175.357 176.600 -0.180 0.000 0.973 739 K CA 0.282 56.314 56.287 -0.425 0.000 0.880 739 K CB 1.696 33.715 32.500 -0.801 0.000 1.310 739 K HN 0.325 nan 8.250 nan 0.000 0.443 740 T N 2.547 117.001 114.554 -0.167 0.000 3.060 740 T HA 0.294 4.646 4.350 0.003 0.000 0.367 740 T C -0.162 174.486 174.700 -0.087 0.000 1.229 740 T CA -0.363 61.644 62.100 -0.155 0.000 1.104 740 T CB 0.085 68.842 68.868 -0.184 0.000 1.083 740 T HN 0.318 nan 8.240 nan 0.000 0.524 741 D N 3.094 123.470 120.400 -0.041 0.000 2.359 741 D HA 0.250 4.892 4.640 0.003 0.000 0.284 741 D C 1.998 178.271 176.300 -0.044 0.000 1.176 741 D CA 0.354 54.347 54.000 -0.012 0.000 1.011 741 D CB -0.607 40.224 40.800 0.053 0.000 1.010 741 D HN 0.611 nan 8.370 nan 0.000 0.333 742 G N 1.182 109.960 108.800 -0.037 0.000 2.992 742 G HA2 -0.235 3.726 3.960 0.003 0.000 0.199 742 G HA3 -0.235 3.726 3.960 0.003 0.000 0.199 742 G C 0.721 175.580 174.900 -0.068 0.000 1.380 742 G CA 1.583 46.654 45.100 -0.049 0.000 0.776 742 G HN 0.377 nan 8.290 nan 0.000 0.757 743 K N 0.604 120.950 120.400 -0.090 0.000 3.010 743 K HA 0.433 4.755 4.320 0.003 0.000 0.211 743 K C -0.155 176.368 176.600 -0.128 0.000 1.146 743 K CA -0.096 56.141 56.287 -0.085 0.000 1.070 743 K CB 0.549 33.016 32.500 -0.056 0.000 0.908 743 K HN 0.404 nan 8.250 nan 0.000 0.463 744 K N -0.150 120.130 120.400 -0.199 0.000 2.522 744 K HA 0.342 4.663 4.320 0.003 0.000 0.275 744 K C -1.315 175.078 176.600 -0.346 0.000 1.006 744 K CA -0.878 55.224 56.287 -0.307 0.000 0.890 744 K CB 2.089 34.238 32.500 -0.586 0.000 1.475 744 K HN 0.046 nan 8.250 nan 0.000 0.441 745 S N 1.576 117.059 115.700 -0.362 0.000 2.571 745 S HA 0.372 4.844 4.470 0.003 0.000 0.238 745 S C -1.358 173.018 174.600 -0.374 0.000 1.153 745 S CA -0.650 57.330 58.200 -0.368 0.000 1.141 745 S CB -0.036 63.005 63.200 -0.266 0.000 1.133 745 S HN 0.442 nan 8.310 nan 0.000 0.464 746 Y N 2.606 122.850 120.300 -0.093 0.000 2.330 746 Y HA 0.477 5.029 4.550 0.003 0.000 0.341 746 Y C 0.329 176.029 175.900 -0.332 0.000 1.278 746 Y CA 0.009 58.125 58.100 0.027 0.000 1.453 746 Y CB 0.393 39.019 38.460 0.277 0.000 1.342 746 Y HN 0.609 nan 8.280 nan 0.000 0.590 747 Y N -0.794 119.569 120.300 0.105 0.000 2.705 747 Y HA 0.306 4.858 4.550 0.003 0.000 0.332 747 Y C 0.934 176.936 175.900 0.170 0.000 1.157 747 Y CA -1.153 56.962 58.100 0.026 0.000 1.091 747 Y CB 1.535 39.934 38.460 -0.101 0.000 1.301 747 Y HN 0.400 nan 8.280 nan 0.000 0.488 748 K N 0.758 121.372 120.400 0.356 0.000 2.121 748 K HA 0.149 4.471 4.320 0.003 0.000 0.203 748 K C -0.199 176.563 176.600 0.270 0.000 1.041 748 K CA 1.160 57.602 56.287 0.259 0.000 0.969 748 K CB 0.158 32.770 32.500 0.187 0.000 0.799 748 K HN 0.598 nan 8.250 nan 0.000 0.456 749 K N -1.493 119.078 120.400 0.285 0.000 2.149 749 K HA 0.653 4.974 4.320 0.003 0.000 0.241 749 K C -1.262 175.487 176.600 0.248 0.000 1.083 749 K CA -1.111 55.309 56.287 0.221 0.000 0.885 749 K CB 1.670 34.257 32.500 0.145 0.000 1.374 749 K HN -0.116 nan 8.250 nan 0.000 0.511 750 V N -0.367 119.613 119.914 0.109 0.000 3.236 750 V HA 0.409 4.531 4.120 0.003 0.000 0.287 750 V C -1.996 174.048 176.094 -0.085 0.000 1.491 750 V CA -0.680 61.608 62.300 -0.019 0.000 1.037 750 V CB 1.683 33.427 31.823 -0.132 0.000 1.160 750 V HN 1.163 nan 8.190 nan 0.000 0.453 751 C N 4.631 123.838 119.300 -0.156 0.000 2.369 751 C HA 0.839 5.300 4.460 0.003 0.000 0.322 751 C C -0.489 174.396 174.990 -0.176 0.000 1.258 751 C CA -0.771 58.168 59.018 -0.131 0.000 1.487 751 C CB -0.094 27.589 27.740 -0.095 0.000 2.165 751 C HN 0.753 nan 8.230 nan 0.000 0.483 752 I N 3.284 123.765 120.570 -0.149 0.000 2.464 752 I HA 0.301 4.472 4.170 0.003 0.000 0.277 752 I C -0.572 175.476 176.117 -0.116 0.000 1.040 752 I CA 0.113 61.319 61.300 -0.155 0.000 1.153 752 I CB 0.648 38.547 38.000 -0.168 0.000 1.274 752 I HN 0.795 nan 8.210 nan 0.000 0.469 753 D N 5.633 125.970 120.400 -0.105 0.000 2.718 753 D HA -0.204 4.438 4.640 0.003 0.000 0.242 753 D C 0.926 177.185 176.300 -0.069 0.000 1.123 753 D CA 1.305 55.256 54.000 -0.081 0.000 0.690 753 D CB -0.362 40.392 40.800 -0.078 0.000 1.059 753 D HN 0.948 nan 8.370 nan 0.000 0.429 754 A N -1.719 121.062 122.820 -0.066 0.000 3.995 754 A HA -0.315 4.006 4.320 0.003 0.000 0.247 754 A C 0.757 178.312 177.584 -0.049 0.000 0.802 754 A CA 1.602 53.608 52.037 -0.051 0.000 1.413 754 A CB -0.849 18.125 19.000 -0.042 0.000 1.038 754 A HN 0.347 nan 8.150 nan 0.000 0.728 755 E N 1.380 121.545 120.200 -0.059 0.000 2.366 755 E HA 0.450 4.802 4.350 0.003 0.000 0.266 755 E C 0.388 176.958 176.600 -0.051 0.000 1.051 755 E CA 0.683 57.052 56.400 -0.052 0.000 0.884 755 E CB 0.624 30.287 29.700 -0.062 0.000 1.006 755 E HN 0.837 nan 8.360 nan 0.000 0.417 756 T N 0.023 114.558 114.554 -0.031 0.000 2.770 756 T HA 0.444 4.795 4.350 0.003 0.000 0.283 756 T C -0.067 174.630 174.700 -0.005 0.000 0.988 756 T CA -0.964 61.126 62.100 -0.017 0.000 0.957 756 T CB 0.659 69.529 68.868 0.003 0.000 0.930 756 T HN 0.226 nan 8.240 nan 0.000 0.443 757 L N 3.018 124.236 121.223 -0.008 0.000 2.296 757 L HA 0.640 4.982 4.340 0.003 0.000 0.286 757 L C -0.357 176.546 176.870 0.056 0.000 1.023 757 L CA -0.416 54.431 54.840 0.012 0.000 0.812 757 L CB 1.306 43.348 42.059 -0.030 0.000 1.223 757 L HN 1.023 nan 8.230 nan 0.000 0.421 758 E N 3.505 123.753 120.200 0.079 0.000 2.212 758 E HA 0.248 4.600 4.350 0.003 0.000 0.268 758 E C -1.179 175.497 176.600 0.127 0.000 0.902 758 E CA -0.782 55.683 56.400 0.108 0.000 0.779 758 E CB 2.709 32.467 29.700 0.096 0.000 1.172 758 E HN 0.516 nan 8.360 nan 0.000 0.409 759 V N 4.746 124.752 119.914 0.153 0.000 2.486 759 V HA 0.232 4.354 4.120 0.003 0.000 0.290 759 V C 0.976 177.147 176.094 0.129 0.000 0.991 759 V CA 2.368 64.762 62.300 0.157 0.000 1.142 759 V CB -0.108 31.821 31.823 0.177 0.000 0.926 759 V HN 1.002 nan 8.190 nan 0.000 0.472 760 G N 4.304 113.177 108.800 0.122 0.000 2.336 760 G HA2 -0.148 3.814 3.960 0.003 0.000 0.194 760 G HA3 -0.148 3.814 3.960 0.003 0.000 0.194 760 G C 0.045 175.019 174.900 0.124 0.000 0.999 760 G CA 0.010 45.179 45.100 0.115 0.000 0.669 760 G HN 0.641 nan 8.290 nan 0.000 0.482 761 D N 0.309 120.781 120.400 0.119 0.000 2.339 761 D HA 0.455 5.096 4.640 0.003 0.000 0.245 761 D C 0.208 176.583 176.300 0.125 0.000 1.115 761 D CA 0.316 54.383 54.000 0.112 0.000 0.917 761 D CB 1.358 42.212 40.800 0.091 0.000 1.192 761 D HN 0.196 nan 8.370 nan 0.000 0.428 762 C N 2.781 122.148 119.300 0.111 0.000 2.223 762 C HA 0.324 4.785 4.460 0.003 0.000 0.324 762 C C 0.807 175.864 174.990 0.111 0.000 1.196 762 C CA -0.938 58.147 59.018 0.111 0.000 1.628 762 C CB -0.658 27.092 27.740 0.017 0.000 2.229 762 C HN 0.311 nan 8.230 nan 0.000 0.486 763 V N 2.657 122.659 119.914 0.147 0.000 3.295 763 V HA 0.889 5.011 4.120 0.003 0.000 0.308 763 V C 0.161 176.377 176.094 0.204 0.000 1.068 763 V CA -0.296 62.095 62.300 0.152 0.000 1.062 763 V CB 1.497 33.414 31.823 0.157 0.000 1.162 763 V HN 0.838 nan 8.190 nan 0.000 0.456 764 S N -0.045 115.793 115.700 0.230 0.000 2.548 764 S HA 0.883 5.354 4.470 0.003 0.000 0.286 764 S C -0.947 173.857 174.600 0.340 0.000 1.098 764 S CA -0.654 57.724 58.200 0.297 0.000 0.930 764 S CB 1.582 64.951 63.200 0.282 0.000 1.070 764 S HN 1.054 nan 8.310 nan 0.000 0.480 765 V N 2.493 122.637 119.914 0.385 0.000 2.876 765 V HA 0.540 4.662 4.120 0.003 0.000 0.312 765 V C -0.810 175.392 176.094 0.179 0.000 1.085 765 V CA -0.945 61.577 62.300 0.371 0.000 0.945 765 V CB 1.941 34.108 31.823 0.574 0.000 1.017 765 V HN 0.883 nan 8.190 nan 0.000 0.428 766 I N 4.166 124.789 120.570 0.089 0.000 2.353 766 I HA 0.405 4.577 4.170 0.003 0.000 0.293 766 I C -2.088 174.006 176.117 -0.039 0.000 0.992 766 I CA -2.213 59.037 61.300 -0.082 0.000 1.268 766 I CB 1.542 39.465 38.000 -0.128 0.000 1.387 766 I HN 0.410 nan 8.210 nan 0.000 0.478 767 P HA 0.072 nan 4.420 nan 0.000 0.306 767 P C 0.236 177.535 177.300 -0.003 0.000 1.301 767 P CA 0.138 63.184 63.100 -0.090 0.000 0.744 767 P CB 0.827 32.353 31.700 -0.289 0.000 1.400 768 D N -2.593 117.820 120.400 0.021 0.000 2.454 768 D HA 0.034 4.676 4.640 0.003 0.000 0.214 768 D C -0.498 175.800 176.300 -0.002 0.000 1.088 768 D CA 0.204 54.218 54.000 0.025 0.000 0.855 768 D CB 0.006 40.835 40.800 0.048 0.000 1.025 768 D HN 0.172 nan 8.370 nan 0.000 0.502 769 D N -0.837 119.552 120.400 -0.018 0.000 2.344 769 D HA 0.143 4.784 4.640 0.003 0.000 0.239 769 D C 0.781 177.051 176.300 -0.051 0.000 1.064 769 D CA -0.345 53.640 54.000 -0.025 0.000 0.829 769 D CB 1.518 42.309 40.800 -0.016 0.000 1.129 769 D HN -0.090 nan 8.370 nan 0.000 0.506 770 S N 1.794 117.468 115.700 -0.043 0.000 2.653 770 S HA -0.107 4.364 4.470 0.003 0.000 0.233 770 S C 1.571 176.142 174.600 -0.048 0.000 0.970 770 S CA 0.500 58.669 58.200 -0.051 0.000 0.947 770 S CB -0.067 63.111 63.200 -0.036 0.000 0.771 770 S HN 0.295 nan 8.310 nan 0.000 0.538 771 S N 0.914 116.588 115.700 -0.043 0.000 2.475 771 S HA 0.206 4.677 4.470 0.003 0.000 0.224 771 S C 0.423 174.996 174.600 -0.044 0.000 1.042 771 S CA -0.087 58.092 58.200 -0.034 0.000 0.935 771 S CB -0.066 63.121 63.200 -0.022 0.000 0.801 771 S HN 0.308 nan 8.310 nan 0.000 0.509 772 K N 2.991 123.353 120.400 -0.064 0.000 2.248 772 K HA 0.416 4.738 4.320 0.003 0.000 0.281 772 K C -2.660 173.836 176.600 -0.173 0.000 1.054 772 K CA -2.310 53.928 56.287 -0.082 0.000 0.903 772 K CB 0.826 33.299 32.500 -0.045 0.000 1.077 772 K HN 0.239 nan 8.250 nan 0.000 0.474 773 P HA -0.093 nan 4.420 nan 0.000 0.271 773 P C -0.451 176.652 177.300 -0.329 0.000 1.233 773 P CA -0.378 62.632 63.100 -0.151 0.000 0.795 773 P CB 0.235 31.903 31.700 -0.054 0.000 0.936 774 L N -0.779 120.305 121.223 -0.232 0.000 2.456 774 L HA 0.272 4.613 4.340 0.003 0.000 0.272 774 L C -0.278 176.521 176.870 -0.118 0.000 1.189 774 L CA -0.145 54.537 54.840 -0.263 0.000 0.846 774 L CB -0.986 41.021 42.059 -0.086 0.000 1.111 774 L HN 0.189 nan 8.230 nan 0.000 0.475 775 Y N 2.871 123.262 120.300 0.153 0.000 2.354 775 Y HA 0.742 5.293 4.550 0.003 0.000 0.322 775 Y C -0.026 176.121 175.900 0.413 0.000 1.253 775 Y CA -1.022 57.271 58.100 0.322 0.000 1.272 775 Y CB 0.965 39.670 38.460 0.409 0.000 1.255 775 Y HN 0.423 nan 8.280 nan 0.000 0.500 776 L N 1.297 122.919 121.223 0.665 0.000 2.354 776 L HA 0.940 5.281 4.340 0.003 0.000 0.264 776 L C -0.576 176.609 176.870 0.525 0.000 1.008 776 L CA -0.960 54.145 54.840 0.442 0.000 0.819 776 L CB 2.085 44.246 42.059 0.170 0.000 1.339 776 L HN 0.767 nan 8.230 nan 0.000 0.420 777 A N 1.300 124.336 122.820 0.359 0.000 2.605 777 A HA 0.745 5.066 4.320 0.003 0.000 0.294 777 A C -1.251 176.493 177.584 0.267 0.000 1.062 777 A CA -0.711 51.480 52.037 0.258 0.000 0.682 777 A CB 1.464 20.272 19.000 -0.320 0.000 1.278 777 A HN 0.636 nan 8.150 nan 0.000 0.410 778 R N 2.025 122.688 120.500 0.271 0.000 2.280 778 R HA 0.494 4.836 4.340 0.003 0.000 0.326 778 R C -0.885 175.467 176.300 0.085 0.000 1.080 778 R CA -0.338 55.893 56.100 0.218 0.000 1.002 778 R CB 0.125 30.573 30.300 0.246 0.000 1.136 778 R HN 0.570 nan 8.270 nan 0.000 0.509 779 V N 4.670 124.654 119.914 0.117 0.000 2.555 779 V HA -0.121 4.001 4.120 0.003 0.000 0.299 779 V C 1.592 177.735 176.094 0.081 0.000 1.012 779 V CA 1.282 63.661 62.300 0.132 0.000 1.180 779 V CB 0.479 32.454 31.823 0.253 0.000 0.887 779 V HN 0.965 nan 8.190 nan 0.000 0.476 780 T N 1.131 115.693 114.554 0.013 0.000 3.060 780 T HA 0.604 4.955 4.350 0.003 0.000 0.249 780 T C 0.411 175.152 174.700 0.068 0.000 1.079 780 T CA 0.473 62.558 62.100 -0.025 0.000 1.013 780 T CB 0.391 69.129 68.868 -0.215 0.000 0.975 780 T HN 1.230 nan 8.240 nan 0.000 0.518 781 A N 0.301 123.225 122.820 0.172 0.000 2.566 781 A HA 0.734 5.055 4.320 0.003 0.000 0.290 781 A C -2.190 175.595 177.584 0.335 0.000 1.071 781 A CA -0.980 51.232 52.037 0.292 0.000 0.658 781 A CB 0.805 20.054 19.000 0.416 0.000 1.285 781 A HN 0.330 nan 8.150 nan 0.000 0.427 782 L N 0.293 121.802 121.223 0.477 0.000 2.526 782 L HA 0.711 5.053 4.340 0.003 0.000 0.263 782 L C -1.151 176.124 176.870 0.676 0.000 0.943 782 L CA -0.218 54.900 54.840 0.465 0.000 0.859 782 L CB 2.048 44.453 42.059 0.577 0.000 1.313 782 L HN 1.078 nan 8.230 nan 0.000 0.406 783 W N 1.963 123.613 121.300 0.584 0.000 2.988 783 W HA 0.682 5.344 4.660 0.003 0.000 0.355 783 W C -1.550 175.129 176.519 0.267 0.000 1.233 783 W CA -0.876 56.612 57.345 0.239 0.000 1.176 783 W CB 1.063 30.579 29.460 0.095 0.000 1.477 783 W HN 0.425 nan 8.180 nan 0.000 0.582 784 E N 2.010 122.472 120.200 0.438 0.000 2.235 784 E HA 0.137 4.488 4.350 0.003 0.000 0.252 784 E C -1.103 175.694 176.600 0.328 0.000 0.886 784 E CA -0.521 56.138 56.400 0.430 0.000 0.767 784 E CB 1.093 30.960 29.700 0.279 0.000 1.205 784 E HN 0.423 nan 8.360 nan 0.000 0.421 785 D N 2.119 122.760 120.400 0.402 0.000 2.339 785 D HA -0.025 4.617 4.640 0.003 0.000 0.245 785 D C 0.697 177.079 176.300 0.137 0.000 1.115 785 D CA 0.158 54.288 54.000 0.217 0.000 0.917 785 D CB 1.908 42.860 40.800 0.253 0.000 1.192 785 D HN 0.451 nan 8.370 nan 0.000 0.428 786 S N 0.766 116.507 115.700 0.069 0.000 2.595 786 S HA -0.101 4.370 4.470 0.003 0.000 0.235 786 S C 1.252 175.892 174.600 0.067 0.000 0.974 786 S CA 1.674 59.906 58.200 0.054 0.000 0.942 786 S CB -0.027 63.186 63.200 0.021 0.000 0.766 786 S HN 0.539 nan 8.310 nan 0.000 0.536 787 S N -1.290 114.462 115.700 0.087 0.000 2.462 787 S HA 0.195 4.667 4.470 0.003 0.000 0.269 787 S C 1.047 175.710 174.600 0.105 0.000 1.005 787 S CA -0.134 58.116 58.200 0.084 0.000 1.260 787 S CB -0.660 62.578 63.200 0.063 0.000 0.990 787 S HN 0.353 nan 8.310 nan 0.000 0.477 788 N N 2.522 121.303 118.700 0.134 0.000 2.216 788 N HA 0.450 5.192 4.740 0.003 0.000 0.183 788 N C 1.218 176.832 175.510 0.173 0.000 1.017 788 N CA 1.804 54.950 53.050 0.159 0.000 0.861 788 N CB -0.249 38.360 38.487 0.203 0.000 0.986 788 N HN 0.878 nan 8.380 nan 0.000 0.428 789 G N -0.471 108.451 108.800 0.202 0.000 2.408 789 G HA2 -0.171 3.791 3.960 0.003 0.000 0.204 789 G HA3 -0.171 3.791 3.960 0.003 0.000 0.204 789 G C -1.421 173.637 174.900 0.263 0.000 1.186 789 G CA -0.731 44.489 45.100 0.199 0.000 1.139 789 G HN 0.143 nan 8.290 nan 0.000 0.563 790 Q N 0.868 120.787 119.800 0.198 0.000 2.390 790 Q HA 0.595 4.937 4.340 0.003 0.000 0.249 790 Q C 0.106 176.145 176.000 0.064 0.000 0.996 790 Q CA -0.274 55.648 55.803 0.199 0.000 0.899 790 Q CB 1.091 29.836 28.738 0.011 0.000 1.216 790 Q HN 0.459 nan 8.270 nan 0.000 0.465 791 M N 2.571 122.121 119.600 -0.083 0.000 2.821 791 M HA 0.632 5.114 4.480 0.003 0.000 0.304 791 M C -0.450 175.529 176.300 -0.534 0.000 1.233 791 M CA -0.922 54.230 55.300 -0.247 0.000 0.851 791 M CB 1.309 33.801 32.600 -0.180 0.000 1.723 791 M HN 0.589 nan 8.290 nan 0.000 0.493 792 F N -1.316 118.209 119.950 -0.708 0.000 2.665 792 F HA 0.528 5.057 4.527 0.003 0.000 0.308 792 F C -1.355 174.254 175.800 -0.320 0.000 1.112 792 F CA -1.025 56.640 58.000 -0.559 0.000 0.972 792 F CB 1.392 40.262 39.000 -0.216 0.000 1.295 792 F HN 0.640 nan 8.300 nan 0.000 0.440 793 H N 2.163 120.969 119.070 -0.440 0.000 2.594 793 H HA 0.724 5.282 4.556 0.003 0.000 0.304 793 H C -0.911 174.096 175.328 -0.535 0.000 1.068 793 H CA -0.755 55.069 56.048 -0.373 0.000 1.308 793 H CB 1.361 31.137 29.762 0.022 0.000 1.409 793 H HN 0.933 nan 8.280 nan 0.000 0.460 794 A N 4.740 127.223 122.820 -0.562 0.000 2.256 794 A HA 0.120 4.441 4.320 0.003 0.000 0.317 794 A C -0.876 176.298 177.584 -0.683 0.000 1.318 794 A CA -0.606 51.022 52.037 -0.682 0.000 0.894 794 A CB -0.190 18.172 19.000 -1.063 0.000 1.165 794 A HN 0.915 nan 8.150 nan 0.000 0.525 795 H N 2.409 121.177 119.070 -0.503 0.000 3.015 795 H HA 0.315 4.873 4.556 0.003 0.000 0.268 795 H C -0.483 174.589 175.328 -0.427 0.000 1.113 795 H CA -0.080 55.702 56.048 -0.443 0.000 1.479 795 H CB -0.015 29.530 29.762 -0.362 0.000 1.493 795 H HN 0.679 nan 8.280 nan 0.000 0.486 796 W N 4.817 125.791 121.300 -0.545 0.000 2.209 796 W HA 0.124 4.785 4.660 0.003 0.000 0.344 796 W C -0.320 175.853 176.519 -0.576 0.000 1.285 796 W CA -0.246 56.789 57.345 -0.517 0.000 1.267 796 W CB 0.317 29.337 29.460 -0.734 0.000 1.167 796 W HN 0.477 nan 8.180 nan 0.000 0.574 797 F N 2.525 122.473 119.950 -0.003 0.000 2.444 797 F HA 0.325 4.854 4.527 0.003 0.000 0.342 797 F C 0.003 175.874 175.800 0.117 0.000 1.121 797 F CA -1.118 56.900 58.000 0.029 0.000 0.997 797 F CB 0.908 39.957 39.000 0.081 0.000 1.130 797 F HN 0.188 nan 8.300 nan 0.000 0.454 798 C N 5.614 125.078 119.300 0.274 0.000 2.303 798 C HA 0.791 5.252 4.460 0.003 0.000 0.341 798 C C 0.696 175.902 174.990 0.360 0.000 1.244 798 C CA -0.720 58.498 59.018 0.333 0.000 1.765 798 C CB -1.616 26.251 27.740 0.211 0.000 2.379 798 C HN 0.908 nan 8.230 nan 0.000 0.530 799 A N 4.851 127.851 122.820 0.299 0.000 2.507 799 A HA 0.424 4.746 4.320 0.003 0.000 0.235 799 A C 1.458 179.178 177.584 0.226 0.000 1.070 799 A CA 0.576 52.733 52.037 0.200 0.000 0.768 799 A CB 0.043 19.119 19.000 0.126 0.000 1.011 799 A HN 1.444 nan 8.150 nan 0.000 0.502 800 G N -0.431 108.524 108.800 0.258 0.000 2.443 800 G HA2 -0.076 3.885 3.960 0.003 0.000 0.219 800 G HA3 -0.076 3.885 3.960 0.003 0.000 0.219 800 G C 1.229 176.203 174.900 0.123 0.000 1.131 800 G CA 1.361 46.661 45.100 0.334 0.000 0.775 800 G HN 0.875 nan 8.290 nan 0.000 0.547 801 T N -0.475 114.138 114.554 0.098 0.000 3.252 801 T HA 0.100 4.452 4.350 0.003 0.000 0.250 801 T C 0.922 175.648 174.700 0.044 0.000 1.123 801 T CA 0.554 62.693 62.100 0.065 0.000 1.006 801 T CB -0.236 68.670 68.868 0.064 0.000 0.992 801 T HN 0.149 nan 8.240 nan 0.000 0.547 802 D N 1.084 121.499 120.400 0.026 0.000 2.503 802 D HA 0.140 4.782 4.640 0.003 0.000 0.218 802 D C 0.669 176.949 176.300 -0.034 0.000 1.183 802 D CA 0.103 54.117 54.000 0.024 0.000 0.827 802 D CB 1.107 41.937 40.800 0.050 0.000 1.034 802 D HN 0.529 nan 8.370 nan 0.000 0.510 803 T N -3.045 111.413 114.554 -0.161 0.000 2.948 803 T HA 0.297 4.649 4.350 0.003 0.000 0.285 803 T C 1.748 176.372 174.700 -0.128 0.000 1.019 803 T CA -0.605 61.239 62.100 -0.427 0.000 1.013 803 T CB 1.814 70.129 68.868 -0.922 0.000 1.117 803 T HN -0.269 nan 8.240 nan 0.000 0.533 804 V N 1.098 120.946 119.914 -0.110 0.000 2.370 804 V HA -0.181 3.940 4.120 0.003 0.000 0.252 804 V C 2.581 178.702 176.094 0.045 0.000 1.068 804 V CA 1.849 64.168 62.300 0.032 0.000 1.061 804 V CB -1.245 30.572 31.823 -0.011 0.000 0.656 804 V HN 0.759 nan 8.190 nan 0.000 0.455 805 L N -0.170 121.050 121.223 -0.006 0.000 2.362 805 L HA 0.047 4.389 4.340 0.003 0.000 0.219 805 L C 2.284 179.179 176.870 0.040 0.000 1.134 805 L CA 0.906 55.754 54.840 0.014 0.000 0.807 805 L CB -1.390 40.672 42.059 0.004 0.000 0.927 805 L HN 0.523 nan 8.230 nan 0.000 0.447 806 G N 0.915 109.736 108.800 0.035 0.000 2.868 806 G HA2 -0.510 3.451 3.960 0.003 0.000 0.368 806 G HA3 -0.510 3.451 3.960 0.003 0.000 0.368 806 G C 1.218 176.155 174.900 0.062 0.000 1.209 806 G CA 1.381 46.513 45.100 0.054 0.000 1.065 806 G HN 0.494 nan 8.290 nan 0.000 0.679 807 A N -1.022 121.836 122.820 0.064 0.000 2.044 807 A HA 0.373 4.695 4.320 0.003 0.000 0.213 807 A C 2.426 180.055 177.584 0.074 0.000 1.169 807 A CA 2.397 54.474 52.037 0.065 0.000 0.724 807 A CB -0.479 18.555 19.000 0.056 0.000 0.840 807 A HN 1.624 nan 8.150 nan 0.000 0.463 808 T N -1.979 112.620 114.554 0.076 0.000 3.160 808 T HA 0.103 4.455 4.350 0.003 0.000 0.257 808 T C 0.879 175.639 174.700 0.100 0.000 1.147 808 T CA 0.720 62.872 62.100 0.085 0.000 1.064 808 T CB -0.478 68.440 68.868 0.084 0.000 0.949 808 T HN 0.239 nan 8.240 nan 0.000 0.526 809 S N 1.497 117.262 115.700 0.109 0.000 2.545 809 S HA 0.224 4.695 4.470 0.003 0.000 0.275 809 S C -0.290 174.407 174.600 0.160 0.000 1.299 809 S CA -0.739 57.553 58.200 0.153 0.000 1.048 809 S CB 0.365 63.671 63.200 0.175 0.000 0.938 809 S HN 0.514 nan 8.310 nan 0.000 0.496 810 D N 4.943 125.454 120.400 0.184 0.000 2.412 810 D HA 0.193 4.834 4.640 0.003 0.000 0.257 810 D C -1.473 174.944 176.300 0.196 0.000 1.217 810 D CA -1.318 52.797 54.000 0.192 0.000 0.897 810 D CB 1.017 41.965 40.800 0.247 0.000 1.132 810 D HN 0.270 nan 8.370 nan 0.000 0.493 811 P HA -0.180 nan 4.420 nan 0.000 0.218 811 P C 0.861 178.316 177.300 0.257 0.000 1.150 811 P CA 1.161 64.375 63.100 0.190 0.000 0.841 811 P CB 0.126 31.929 31.700 0.172 0.000 0.784 812 L N -1.834 119.584 121.223 0.325 0.000 2.592 812 L HA 0.131 4.472 4.340 0.003 0.000 0.227 812 L C 1.146 178.219 176.870 0.337 0.000 1.127 812 L CA -0.113 55.020 54.840 0.487 0.000 0.884 812 L CB -0.446 41.913 42.059 0.501 0.000 1.065 812 L HN 0.007 nan 8.230 nan 0.000 0.457 813 E N 1.424 121.675 120.200 0.087 0.000 2.259 813 E HA 0.492 4.844 4.350 0.003 0.000 0.281 813 E C -0.874 175.513 176.600 -0.354 0.000 1.027 813 E CA -0.276 55.874 56.400 -0.417 0.000 0.838 813 E CB 0.894 30.371 29.700 -0.371 0.000 1.066 813 E HN 0.122 nan 8.360 nan 0.000 0.401 814 L N 3.718 124.626 121.223 -0.524 0.000 2.301 814 L HA 0.616 4.957 4.340 0.003 0.000 0.264 814 L C -0.984 175.660 176.870 -0.376 0.000 1.016 814 L CA -1.116 53.624 54.840 -0.166 0.000 0.821 814 L CB 1.241 43.344 42.059 0.073 0.000 1.346 814 L HN 0.570 nan 8.230 nan 0.000 0.429 815 F N 0.365 120.428 119.950 0.189 0.000 2.565 815 F HA 0.505 5.033 4.527 0.002 0.000 0.313 815 F C -0.225 175.581 175.800 0.011 0.000 1.091 815 F CA -0.705 57.376 58.000 0.135 0.000 0.915 815 F CB 1.468 40.510 39.000 0.070 0.000 1.208 815 F HN 0.095 nan 8.300 nan 0.000 0.453 816 L N 3.229 124.543 121.223 0.152 0.000 2.410 816 L HA 0.522 4.864 4.340 0.003 0.000 0.273 816 L C -0.506 176.310 176.870 -0.091 0.000 1.152 816 L CA -0.401 54.440 54.840 0.001 0.000 0.855 816 L CB 0.576 42.798 42.059 0.272 0.000 1.129 816 L HN 0.348 nan 8.230 nan 0.000 0.463 817 V N 1.806 121.630 119.914 -0.150 0.000 2.841 817 V HA 0.154 4.276 4.120 0.003 0.000 0.310 817 V C -0.573 175.483 176.094 -0.062 0.000 1.090 817 V CA -0.706 61.470 62.300 -0.207 0.000 0.930 817 V CB 2.224 33.906 31.823 -0.236 0.000 1.014 817 V HN 0.608 nan 8.190 nan 0.000 0.425 818 D N 2.779 123.246 120.400 0.111 0.000 2.977 818 D HA 0.172 4.814 4.640 0.003 0.000 0.241 818 D C 0.121 176.423 176.300 0.003 0.000 1.206 818 D CA 0.507 54.592 54.000 0.142 0.000 0.902 818 D CB -0.001 40.922 40.800 0.205 0.000 1.131 818 D HN 0.548 nan 8.370 nan 0.000 0.447 819 E N 0.196 120.340 120.200 -0.095 0.000 2.187 819 E HA 0.578 4.930 4.350 0.003 0.000 0.268 819 E C -0.757 175.929 176.600 0.143 0.000 0.896 819 E CA -0.856 55.543 56.400 -0.001 0.000 0.766 819 E CB 1.576 31.217 29.700 -0.099 0.000 1.142 819 E HN 0.323 nan 8.360 nan 0.000 0.408 820 C N 0.935 120.394 119.300 0.265 0.000 3.247 820 C HA 0.585 5.047 4.460 0.003 0.000 0.375 820 C C -0.668 174.463 174.990 0.234 0.000 1.102 820 C CA -0.897 58.221 59.018 0.167 0.000 1.227 820 C CB 0.696 28.482 27.740 0.077 0.000 1.586 820 C HN 0.829 nan 8.230 nan 0.000 0.544 821 E N 0.119 120.391 120.200 0.121 0.000 2.431 821 E HA 0.570 4.921 4.350 0.003 0.000 0.268 821 E C -1.650 174.767 176.600 -0.306 0.000 0.953 821 E CA -0.625 55.774 56.400 -0.001 0.000 0.810 821 E CB 1.681 31.481 29.700 0.168 0.000 1.369 821 E HN 0.710 nan 8.360 nan 0.000 0.440 822 D N 1.299 121.538 120.400 -0.269 0.000 2.460 822 D HA 0.263 4.905 4.640 0.003 0.000 0.268 822 D C -0.560 175.659 176.300 -0.135 0.000 1.153 822 D CA -0.055 53.790 54.000 -0.257 0.000 0.929 822 D CB 0.533 41.306 40.800 -0.045 0.000 1.015 822 D HN 0.176 nan 8.370 nan 0.000 0.502 823 M N 0.126 119.586 119.600 -0.234 0.000 2.219 823 M HA 0.268 4.749 4.480 0.003 0.000 0.280 823 M C 0.496 176.943 176.300 0.245 0.000 1.189 823 M CA -0.589 54.688 55.300 -0.039 0.000 1.010 823 M CB 0.823 33.411 32.600 -0.020 0.000 1.422 823 M HN 0.028 nan 8.290 nan 0.000 0.504 824 Q N 1.126 121.129 119.800 0.338 0.000 2.398 824 Q HA 0.262 4.604 4.340 0.003 0.000 0.251 824 Q C 0.531 176.764 176.000 0.389 0.000 0.999 824 Q CA -0.279 55.759 55.803 0.392 0.000 0.874 824 Q CB 0.708 29.703 28.738 0.430 0.000 1.215 824 Q HN 0.736 nan 8.270 nan 0.000 0.470 825 L N 1.877 123.151 121.223 0.085 0.000 2.223 825 L HA -0.443 3.899 4.340 0.003 0.000 0.230 825 L C 2.120 178.899 176.870 -0.151 0.000 1.110 825 L CA 2.211 56.883 54.840 -0.279 0.000 0.834 825 L CB -1.211 40.657 42.059 -0.317 0.000 0.915 825 L HN 0.756 nan 8.230 nan 0.000 0.450 826 S N -1.634 114.037 115.700 -0.048 0.000 2.520 826 S HA -0.208 4.264 4.470 0.003 0.000 0.249 826 S C 1.465 176.006 174.600 -0.098 0.000 0.983 826 S CA 1.076 59.212 58.200 -0.106 0.000 0.958 826 S CB -0.658 62.451 63.200 -0.152 0.000 0.750 826 S HN 0.508 nan 8.310 nan 0.000 0.527 827 Y N 1.402 121.713 120.300 0.018 0.000 2.529 827 Y HA 0.407 4.958 4.550 0.003 0.000 0.290 827 Y C 1.057 177.023 175.900 0.110 0.000 1.177 827 Y CA -0.690 57.474 58.100 0.106 0.000 1.305 827 Y CB -0.381 38.209 38.460 0.218 0.000 1.047 827 Y HN 0.289 nan 8.280 nan 0.000 0.522 828 I N -0.446 120.196 120.570 0.121 0.000 2.779 828 I HA -0.065 4.107 4.170 0.003 0.000 0.285 828 I C 1.335 177.532 176.117 0.133 0.000 1.134 828 I CA 0.417 61.770 61.300 0.088 0.000 1.398 828 I CB 0.955 38.898 38.000 -0.096 0.000 1.404 828 I HN 0.151 nan 8.210 nan 0.000 0.587 829 H N 2.110 121.215 119.070 0.058 0.000 2.381 829 H HA 0.288 4.846 4.556 0.003 0.000 0.252 829 H C 0.201 175.547 175.328 0.029 0.000 0.920 829 H CA 0.487 56.561 56.048 0.044 0.000 1.100 829 H CB 0.920 30.724 29.762 0.070 0.000 1.435 829 H HN 0.564 nan 8.280 nan 0.000 0.454 830 S N -0.694 114.985 115.700 -0.034 0.000 2.596 830 S HA 0.314 4.785 4.470 0.003 0.000 0.270 830 S C -1.638 172.972 174.600 0.016 0.000 1.155 830 S CA -0.972 57.173 58.200 -0.091 0.000 0.827 830 S CB 1.374 64.513 63.200 -0.102 0.000 1.130 830 S HN 0.315 nan 8.310 nan 0.000 0.467 831 K N 3.065 123.465 120.400 -0.001 0.000 2.291 831 K HA 0.443 4.765 4.320 0.003 0.000 0.242 831 K C -0.240 176.386 176.600 0.043 0.000 1.098 831 K CA -0.594 55.709 56.287 0.026 0.000 1.036 831 K CB -0.085 32.419 32.500 0.006 0.000 1.655 831 K HN 0.567 nan 8.250 nan 0.000 0.432 832 V N 1.149 121.109 119.914 0.076 0.000 2.614 832 V HA 0.320 4.441 4.120 0.003 0.000 0.291 832 V C -0.137 176.003 176.094 0.077 0.000 1.049 832 V CA -0.694 61.659 62.300 0.088 0.000 1.038 832 V CB 0.790 32.713 31.823 0.166 0.000 0.980 832 V HN 0.390 nan 8.190 nan 0.000 0.481 833 K N 3.938 124.375 120.400 0.062 0.000 2.234 833 K HA 0.592 4.914 4.320 0.003 0.000 0.282 833 K C -0.866 175.794 176.600 0.100 0.000 1.039 833 K CA -0.392 55.937 56.287 0.070 0.000 0.928 833 K CB 1.830 34.361 32.500 0.052 0.000 1.039 833 K HN 0.675 nan 8.250 nan 0.000 0.470 834 V N 5.249 125.232 119.914 0.116 0.000 2.443 834 V HA 0.362 4.483 4.120 0.003 0.000 0.293 834 V C 0.266 176.517 176.094 0.261 0.000 1.021 834 V CA -1.016 61.381 62.300 0.162 0.000 0.848 834 V CB 1.232 33.050 31.823 -0.008 0.000 0.998 834 V HN 0.645 nan 8.190 nan 0.000 0.424 835 I N 1.783 122.531 120.570 0.298 0.000 2.677 835 I HA 0.538 4.710 4.170 0.003 0.000 0.305 835 I C -0.619 175.747 176.117 0.414 0.000 0.988 835 I CA -0.615 60.868 61.300 0.305 0.000 1.260 835 I CB 1.207 39.325 38.000 0.197 0.000 1.410 835 I HN 0.733 nan 8.210 nan 0.000 0.523 836 Y N 3.823 124.202 120.300 0.131 0.000 2.478 836 Y HA 0.327 4.879 4.550 0.003 0.000 0.329 836 Y C 0.063 175.927 175.900 -0.060 0.000 0.967 836 Y CA -1.072 56.946 58.100 -0.137 0.000 1.255 836 Y CB 0.876 39.231 38.460 -0.175 0.000 1.103 836 Y HN 0.678 nan 8.280 nan 0.000 0.497 837 K N 5.995 126.602 120.400 0.346 0.000 2.121 837 K HA 0.323 4.644 4.320 0.003 0.000 0.235 837 K C -0.140 176.486 176.600 0.042 0.000 1.200 837 K CA -0.149 56.231 56.287 0.154 0.000 1.115 837 K CB -0.340 32.324 32.500 0.273 0.000 1.474 837 K HN 0.725 nan 8.250 nan 0.000 0.295 838 A N 3.863 126.440 122.820 -0.406 0.000 2.425 838 A HA 0.257 4.579 4.320 0.003 0.000 0.242 838 A C -2.113 175.375 177.584 -0.160 0.000 1.077 838 A CA -1.086 50.673 52.037 -0.464 0.000 0.781 838 A CB -0.184 18.279 19.000 -0.894 0.000 1.020 838 A HN 0.518 nan 8.150 nan 0.000 0.494 839 P HA 0.151 nan 4.420 nan 0.000 0.268 839 P C 0.079 177.351 177.300 -0.048 0.000 1.204 839 P CA 0.039 63.083 63.100 -0.094 0.000 0.768 839 P CB 0.700 32.246 31.700 -0.257 0.000 0.842 840 S N 1.675 117.406 115.700 0.052 0.000 2.563 840 S HA -0.062 4.410 4.470 0.003 0.000 0.284 840 S C 1.530 176.165 174.600 0.060 0.000 1.331 840 S CA -0.165 58.066 58.200 0.053 0.000 1.047 840 S CB 0.365 63.617 63.200 0.087 0.000 0.859 840 S HN 0.478 nan 8.310 nan 0.000 0.514 841 E N 3.411 123.622 120.200 0.019 0.000 2.085 841 E HA -0.149 4.202 4.350 0.003 0.000 0.194 841 E C 0.718 177.347 176.600 0.048 0.000 0.994 841 E CA 1.531 57.940 56.400 0.016 0.000 0.801 841 E CB -0.084 29.614 29.700 -0.004 0.000 0.743 841 E HN 0.679 nan 8.360 nan 0.000 0.453 842 N N 0.154 118.883 118.700 0.047 0.000 3.228 842 N HA 0.090 4.832 4.740 0.003 0.000 0.289 842 N C -0.312 175.236 175.510 0.063 0.000 1.419 842 N CA -0.256 52.815 53.050 0.036 0.000 1.088 842 N CB -0.355 38.127 38.487 -0.008 0.000 1.357 842 N HN 0.252 nan 8.380 nan 0.000 0.504 843 W N 3.142 124.391 121.300 -0.084 0.000 2.408 843 W HA 0.169 4.831 4.660 0.004 0.000 0.311 843 W C 1.591 178.044 176.519 -0.110 0.000 1.190 843 W CA 1.122 58.408 57.345 -0.097 0.000 1.321 843 W CB -0.395 28.999 29.460 -0.111 0.000 1.143 843 W HN 0.348 nan 8.180 nan 0.000 0.501 844 A N 0.536 123.270 122.820 -0.143 0.000 2.208 844 A HA -0.066 4.256 4.320 0.003 0.000 0.202 844 A C 1.247 178.589 177.584 -0.404 0.000 1.327 844 A CA 1.267 53.051 52.037 -0.422 0.000 0.930 844 A CB -0.664 18.280 19.000 -0.093 0.000 0.757 844 A HN 0.382 nan 8.150 nan 0.000 0.507 845 M N -1.515 117.863 119.600 -0.371 0.000 2.231 845 M HA 0.126 4.607 4.480 0.003 0.000 0.347 845 M C -0.082 176.046 176.300 -0.287 0.000 0.901 845 M CA 0.275 55.390 55.300 -0.308 0.000 1.064 845 M CB -0.170 32.312 32.600 -0.198 0.000 1.861 845 M HN 0.425 nan 8.290 nan 0.000 0.638 846 E N 1.280 121.285 120.200 -0.325 0.000 2.346 846 E HA 0.278 4.630 4.350 0.003 0.000 0.317 846 E C 1.350 177.819 176.600 -0.218 0.000 1.404 846 E CA -0.297 55.963 56.400 -0.234 0.000 1.534 846 E CB -0.036 29.538 29.700 -0.210 0.000 1.309 846 E HN 0.370 nan 8.360 nan 0.000 0.499 847 G N 1.472 110.168 108.800 -0.174 0.000 2.632 847 G HA2 -0.056 3.906 3.960 0.003 0.000 0.183 847 G HA3 -0.056 3.906 3.960 0.003 0.000 0.183 847 G C 0.761 175.676 174.900 0.026 0.000 1.592 847 G CA -0.078 44.993 45.100 -0.048 0.000 0.880 847 G HN 0.494 nan 8.290 nan 0.000 0.399 848 G N 0.260 109.118 108.800 0.097 0.000 2.411 848 G HA2 0.322 4.284 3.960 0.003 0.000 0.256 848 G HA3 0.322 4.284 3.960 0.003 0.000 0.256 848 G C -0.034 174.858 174.900 -0.014 0.000 0.757 848 G CA 1.238 46.341 45.100 0.006 0.000 0.985 848 G HN 1.109 nan 8.290 nan 0.000 0.334 849 M N 0.377 119.967 119.600 -0.016 0.000 2.895 849 M HA 0.526 5.008 4.480 0.003 0.000 0.271 849 M C -1.722 174.573 176.300 -0.009 0.000 1.174 849 M CA -1.132 54.161 55.300 -0.012 0.000 0.816 849 M CB 1.433 34.031 32.600 -0.004 0.000 1.647 849 M HN 0.279 nan 8.290 nan 0.000 0.506 850 D N 1.464 121.862 120.400 -0.003 0.000 2.340 850 D HA 0.699 5.341 4.640 0.003 0.000 0.251 850 D C -2.104 174.202 176.300 0.011 0.000 1.080 850 D CA -0.489 53.510 54.000 -0.000 0.000 0.971 850 D CB 0.923 41.724 40.800 0.001 0.000 1.137 850 D HN 0.507 nan 8.370 nan 0.000 0.475 861 K N -1.137 119.224 120.400 -0.064 0.000 2.590 861 K HA 0.366 4.687 4.320 0.003 0.000 0.218 861 K C 0.344 176.919 176.600 -0.042 0.000 1.536 861 K CA 0.664 56.926 56.287 -0.042 0.000 1.013 861 K CB 1.204 33.674 32.500 -0.050 0.000 1.265 861 K HN 0.727 nan 8.250 nan 0.000 0.603 862 T N -0.912 113.633 114.554 -0.014 0.000 2.792 862 T HA 0.346 4.697 4.350 0.003 0.000 0.303 862 T C -1.674 173.129 174.700 0.171 0.000 1.310 862 T CA -0.663 61.417 62.100 -0.033 0.000 1.007 862 T CB 0.412 69.265 68.868 -0.025 0.000 1.335 862 T HN -0.027 nan 8.240 nan 0.000 0.504 863 Y N 2.615 123.008 120.300 0.155 0.000 2.610 863 Y HA 0.455 5.007 4.550 0.003 0.000 0.332 863 Y C 0.328 176.406 175.900 0.297 0.000 1.201 863 Y CA -0.581 57.633 58.100 0.191 0.000 1.465 863 Y CB -0.238 38.253 38.460 0.051 0.000 1.283 863 Y HN 0.534 nan 8.280 nan 0.000 0.563 864 F N 2.184 122.265 119.950 0.220 0.000 2.668 864 F HA 0.670 5.199 4.527 0.003 0.000 0.309 864 F C -1.851 174.071 175.800 0.204 0.000 1.117 864 F CA -2.348 55.768 58.000 0.193 0.000 0.951 864 F CB 0.985 40.062 39.000 0.127 0.000 1.323 864 F HN 0.306 nan 8.300 nan 0.000 0.451 865 Y N 1.326 121.597 120.300 -0.048 0.000 2.536 865 Y HA 0.699 5.251 4.550 0.003 0.000 0.347 865 Y C -0.078 175.801 175.900 -0.034 0.000 1.000 865 Y CA -0.716 57.279 58.100 -0.175 0.000 1.051 865 Y CB 2.163 40.711 38.460 0.148 0.000 1.259 865 Y HN 0.863 nan 8.280 nan 0.000 0.468 866 Q N 1.835 121.501 119.800 -0.224 0.000 1.985 866 Q HA 0.465 4.806 4.340 0.003 0.000 0.221 866 Q C -1.429 174.604 176.000 0.055 0.000 0.728 866 Q CA -0.183 55.558 55.803 -0.102 0.000 0.882 866 Q CB 1.083 29.881 28.738 0.100 0.000 1.203 866 Q HN 0.665 nan 8.270 nan 0.000 0.441 867 L N 0.730 122.048 121.223 0.159 0.000 2.393 867 L HA 0.624 4.966 4.340 0.003 0.000 0.260 867 L C -1.688 175.469 176.870 0.479 0.000 1.002 867 L CA -1.083 53.972 54.840 0.358 0.000 0.818 867 L CB 2.179 44.544 42.059 0.510 0.000 1.369 867 L HN 0.199 nan 8.230 nan 0.000 0.412 868 W N 2.035 123.489 121.300 0.256 0.000 2.351 868 W HA 0.417 5.079 4.660 0.002 0.000 0.311 868 W C -1.163 175.449 176.519 0.154 0.000 1.168 868 W CA -0.369 57.081 57.345 0.175 0.000 1.200 868 W CB 0.743 30.243 29.460 0.068 0.000 1.221 868 W HN 0.337 nan 8.180 nan 0.000 0.519 869 Y N 6.331 126.156 120.300 -0.792 0.000 2.364 869 Y HA 0.309 4.861 4.550 0.003 0.000 0.340 869 Y C -0.779 174.296 175.900 -1.374 0.000 0.975 869 Y CA -1.179 56.305 58.100 -1.027 0.000 1.089 869 Y CB 1.173 39.135 38.460 -0.830 0.000 1.192 869 Y HN 0.392 nan 8.280 nan 0.000 0.454 870 D N 5.661 124.942 120.400 -1.865 0.000 2.373 870 D HA 0.077 4.718 4.640 0.003 0.000 0.227 870 D C 0.880 176.244 176.300 -1.560 0.000 1.091 870 D CA -0.297 52.809 54.000 -1.491 0.000 0.840 870 D CB 1.234 41.518 40.800 -0.860 0.000 1.060 870 D HN 0.767 nan 8.370 nan 0.000 0.502 871 Q N 3.331 122.456 119.800 -1.126 0.000 2.045 871 Q HA -0.222 4.119 4.340 0.003 0.000 0.206 871 Q C 0.303 176.200 176.000 -0.171 0.000 0.991 871 Q CA 1.569 57.033 55.803 -0.565 0.000 0.851 871 Q CB -0.228 28.375 28.738 -0.225 0.000 0.911 871 Q HN 0.524 nan 8.270 nan 0.000 0.418 872 D N -0.545 119.758 120.400 -0.162 0.000 2.277 872 D HA -0.022 4.620 4.640 0.003 0.000 0.208 872 D C 1.445 177.994 176.300 0.415 0.000 0.962 872 D CA 0.756 54.829 54.000 0.121 0.000 0.865 872 D CB 0.031 40.882 40.800 0.084 0.000 0.939 872 D HN 0.502 nan 8.370 nan 0.000 0.510 873 Y N -0.177 120.040 120.300 -0.137 0.000 2.444 873 Y HA 0.347 4.899 4.550 0.003 0.000 0.249 873 Y C 1.027 176.759 175.900 -0.280 0.000 1.134 873 Y CA -0.311 57.706 58.100 -0.138 0.000 1.261 873 Y CB 0.765 39.161 38.460 -0.108 0.000 1.143 873 Y HN -0.190 nan 8.280 nan 0.000 0.523 874 A N 1.845 124.527 122.820 -0.230 0.000 2.667 874 A HA -0.248 4.073 4.320 0.003 0.000 0.298 874 A C -0.148 177.344 177.584 -0.153 0.000 1.483 874 A CA 0.686 52.554 52.037 -0.281 0.000 0.738 874 A CB -1.950 16.707 19.000 -0.572 0.000 1.067 874 A HN 0.572 nan 8.150 nan 0.000 0.451 875 R N -1.457 118.872 120.500 -0.284 0.000 2.589 875 R HA 0.719 5.060 4.340 0.003 0.000 0.293 875 R C -1.012 175.172 176.300 -0.194 0.000 0.963 875 R CA -0.544 55.518 56.100 -0.064 0.000 0.905 875 R CB 1.055 31.361 30.300 0.011 0.000 1.144 875 R HN 0.340 nan 8.270 nan 0.000 0.459 876 F N 1.596 121.663 119.950 0.195 0.000 2.443 876 F HA 0.323 4.852 4.527 0.003 0.000 0.369 876 F C 0.203 176.173 175.800 0.283 0.000 1.090 876 F CA -0.557 57.603 58.000 0.266 0.000 1.129 876 F CB 1.197 40.365 39.000 0.279 0.000 1.367 876 F HN 0.344 nan 8.300 nan 0.000 0.465 877 E N 0.416 120.882 120.200 0.445 0.000 2.259 877 E HA 0.541 4.893 4.350 0.003 0.000 0.257 877 E C -0.466 176.334 176.600 0.334 0.000 0.998 877 E CA -1.070 55.550 56.400 0.366 0.000 0.866 877 E CB 1.413 31.315 29.700 0.337 0.000 1.220 877 E HN 0.269 nan 8.360 nan 0.000 0.415 878 S N 1.826 117.646 115.700 0.201 0.000 2.576 878 S HA 0.188 4.659 4.470 0.003 0.000 0.276 878 S C -2.258 172.412 174.600 0.116 0.000 1.339 878 S CA -1.072 57.214 58.200 0.144 0.000 1.039 878 S CB 0.232 63.472 63.200 0.067 0.000 0.902 878 S HN 0.278 nan 8.310 nan 0.000 0.516 879 P HA 0.150 nan 4.420 nan 0.000 0.264 879 P C -2.427 174.852 177.300 -0.036 0.000 1.183 879 P CA -0.732 62.404 63.100 0.060 0.000 0.763 879 P CB -0.476 31.264 31.700 0.065 0.000 0.807 880 P HA 0.013 nan 4.420 nan 0.000 0.264 880 P C 0.170 177.432 177.300 -0.064 0.000 1.193 880 P CA 0.026 63.030 63.100 -0.159 0.000 0.763 880 P CB 0.326 31.872 31.700 -0.256 0.000 0.810 881 K N 0.157 120.529 120.400 -0.047 0.000 2.504 881 K HA 0.111 4.433 4.320 0.003 0.000 0.199 881 K C -0.112 176.473 176.600 -0.026 0.000 1.028 881 K CA -0.076 56.199 56.287 -0.019 0.000 1.164 881 K CB -1.192 31.297 32.500 -0.017 0.000 0.877 881 K HN 0.128 nan 8.250 nan 0.000 0.508 882 T N 2.603 117.148 114.554 -0.015 0.000 2.871 882 T HA 0.005 4.357 4.350 0.003 0.000 0.296 882 T C -0.198 174.473 174.700 -0.048 0.000 0.998 882 T CA 0.011 62.119 62.100 0.013 0.000 1.162 882 T CB 0.265 69.201 68.868 0.113 0.000 0.947 882 T HN 0.214 nan 8.240 nan 0.000 0.536 883 Q N 3.159 122.864 119.800 -0.158 0.000 2.282 883 Q HA 0.411 4.753 4.340 0.003 0.000 0.260 883 Q C -2.153 173.502 176.000 -0.575 0.000 0.964 883 Q CA -2.211 53.397 55.803 -0.325 0.000 0.880 883 Q CB 1.310 29.931 28.738 -0.195 0.000 1.286 883 Q HN 0.433 nan 8.270 nan 0.000 0.445 884 P HA 0.209 nan 4.420 nan 0.000 0.275 884 P C -0.091 176.966 177.300 -0.405 0.000 1.266 884 P CA -0.189 62.325 63.100 -0.978 0.000 0.793 884 P CB 0.625 31.713 31.700 -1.021 0.000 1.074 885 T N -3.493 110.904 114.554 -0.262 0.000 2.735 885 T HA 0.294 4.646 4.350 0.003 0.000 0.262 885 T C 0.912 175.558 174.700 -0.090 0.000 0.955 885 T CA -0.422 61.595 62.100 -0.138 0.000 1.022 885 T CB 0.556 69.372 68.868 -0.087 0.000 1.455 885 T HN 0.502 nan 8.240 nan 0.000 0.583 886 E N 0.011 120.192 120.200 -0.032 0.000 2.415 886 E HA 0.062 4.413 4.350 0.003 0.000 0.197 886 E C 0.449 177.110 176.600 0.100 0.000 1.007 886 E CA 0.402 56.822 56.400 0.034 0.000 0.890 886 E CB -0.188 29.532 29.700 0.033 0.000 0.891 886 E HN 0.707 nan 8.360 nan 0.000 0.496 887 D N 1.442 121.863 120.400 0.034 0.000 2.358 887 D HA -0.057 4.584 4.640 0.003 0.000 0.224 887 D C 0.629 176.839 176.300 -0.151 0.000 1.123 887 D CA -0.096 53.936 54.000 0.055 0.000 0.833 887 D CB -0.218 40.601 40.800 0.031 0.000 0.946 887 D HN 0.301 nan 8.370 nan 0.000 0.505 888 N N -0.439 118.047 118.700 -0.357 0.000 1.856 888 N HA -0.113 4.629 4.740 0.003 0.000 0.223 888 N C 1.070 176.214 175.510 -0.610 0.000 1.438 888 N CA -0.083 52.546 53.050 -0.702 0.000 0.693 888 N CB -0.434 37.877 38.487 -0.294 0.000 1.051 888 N HN -0.049 nan 8.380 nan 0.000 0.563 889 K N 1.839 122.050 120.400 -0.315 0.000 2.286 889 K HA -0.059 4.263 4.320 0.003 0.000 0.203 889 K C 1.079 177.667 176.600 -0.019 0.000 1.045 889 K CA 1.853 58.076 56.287 -0.107 0.000 0.935 889 K CB -0.667 31.846 32.500 0.022 0.000 0.737 889 K HN 0.379 nan 8.250 nan 0.000 0.460 890 F N -0.575 119.354 119.950 -0.034 0.000 2.743 890 F HA 0.269 4.798 4.527 0.003 0.000 0.297 890 F C 0.695 176.451 175.800 -0.073 0.000 1.131 890 F CA -0.048 57.930 58.000 -0.037 0.000 1.426 890 F CB -0.247 38.728 39.000 -0.042 0.000 1.116 890 F HN 0.032 nan 8.300 nan 0.000 0.583 891 K N -0.601 119.551 120.400 -0.414 0.000 2.761 891 K HA 0.218 4.540 4.320 0.003 0.000 0.196 891 K C -0.584 175.896 176.600 -0.200 0.000 1.134 891 K CA -0.418 55.693 56.287 -0.294 0.000 1.082 891 K CB -1.036 31.104 32.500 -0.601 0.000 0.768 891 K HN 0.022 nan 8.250 nan 0.000 0.475 892 F N 1.918 121.701 119.950 -0.279 0.000 2.529 892 F HA 0.277 4.806 4.527 0.003 0.000 0.365 892 F C -0.317 175.345 175.800 -0.230 0.000 1.102 892 F CA -0.562 57.294 58.000 -0.240 0.000 1.271 892 F CB 0.771 39.652 39.000 -0.198 0.000 1.120 892 F HN 0.403 nan 8.300 nan 0.000 0.579 893 C N 8.107 126.742 119.300 -1.109 0.000 2.547 893 C HA 0.397 4.858 4.460 0.003 0.000 0.327 893 C C 1.087 175.379 174.990 -1.163 0.000 1.076 893 C CA -0.626 57.818 59.018 -0.957 0.000 1.390 893 C CB -0.629 26.667 27.740 -0.740 0.000 1.918 893 C HN 0.874 nan 8.230 nan 0.000 0.438 894 V N 4.390 123.651 119.914 -1.089 0.000 2.313 894 V HA -0.202 3.920 4.120 0.003 0.000 0.253 894 V C 2.595 178.409 176.094 -0.468 0.000 1.070 894 V CA 2.695 64.572 62.300 -0.705 0.000 1.057 894 V CB -0.976 30.572 31.823 -0.458 0.000 0.653 894 V HN 0.958 nan 8.190 nan 0.000 0.450 895 S N -0.579 114.889 115.700 -0.388 0.000 2.398 895 S HA -0.293 4.179 4.470 0.003 0.000 0.220 895 S C 2.097 176.602 174.600 -0.159 0.000 1.038 895 S CA 2.311 60.436 58.200 -0.124 0.000 1.080 895 S CB -0.799 62.448 63.200 0.078 0.000 1.039 895 S HN 0.676 nan 8.310 nan 0.000 0.419 896 C N 2.014 121.195 119.300 -0.198 0.000 2.385 896 C HA -0.151 4.311 4.460 0.003 0.000 0.275 896 C C 3.078 177.979 174.990 -0.148 0.000 1.199 896 C CA 0.863 59.797 59.018 -0.140 0.000 1.782 896 C CB -2.068 25.584 27.740 -0.146 0.000 2.068 896 C HN 0.744 nan 8.230 nan 0.000 0.471 897 A N 0.558 123.238 122.820 -0.232 0.000 1.883 897 A HA -0.209 4.112 4.320 0.003 0.000 0.217 897 A C 2.230 179.749 177.584 -0.107 0.000 1.186 897 A CA 1.797 53.742 52.037 -0.154 0.000 0.624 897 A CB -0.537 18.367 19.000 -0.159 0.000 0.822 897 A HN 0.702 nan 8.150 nan 0.000 0.444 898 R N -0.910 119.512 120.500 -0.131 0.000 2.075 898 R HA -0.004 4.338 4.340 0.003 0.000 0.232 898 R C 2.222 178.478 176.300 -0.074 0.000 1.126 898 R CA 1.366 57.399 56.100 -0.112 0.000 0.963 898 R CB -0.534 29.680 30.300 -0.144 0.000 0.858 898 R HN 0.570 nan 8.270 nan 0.000 0.435 899 L N 0.443 121.629 121.223 -0.061 0.000 2.141 899 L HA -0.104 4.237 4.340 0.003 0.000 0.209 899 L C 2.287 179.138 176.870 -0.032 0.000 1.094 899 L CA 1.208 56.027 54.840 -0.035 0.000 0.763 899 L CB -0.226 41.821 42.059 -0.021 0.000 0.908 899 L HN 0.210 nan 8.230 nan 0.000 0.437 900 A N -0.780 122.015 122.820 -0.041 0.000 1.897 900 A HA -0.186 4.136 4.320 0.003 0.000 0.215 900 A C 2.240 179.807 177.584 -0.028 0.000 1.181 900 A CA 1.376 53.394 52.037 -0.032 0.000 0.620 900 A CB -0.505 18.473 19.000 -0.037 0.000 0.821 900 A HN 0.441 nan 8.150 nan 0.000 0.443 901 E N -0.186 119.994 120.200 -0.035 0.000 2.106 901 E HA -0.165 4.187 4.350 0.003 0.000 0.192 901 E C 1.959 178.544 176.600 -0.025 0.000 0.984 901 E CA 1.318 57.700 56.400 -0.030 0.000 0.806 901 E CB -0.288 29.389 29.700 -0.039 0.000 0.750 901 E HN 0.640 nan 8.360 nan 0.000 0.458 902 M N 0.039 119.622 119.600 -0.029 0.000 2.175 902 M HA -0.171 4.311 4.480 0.003 0.000 0.264 902 M C 2.212 178.508 176.300 -0.007 0.000 1.063 902 M CA 1.461 56.750 55.300 -0.019 0.000 1.119 902 M CB 0.040 32.626 32.600 -0.023 0.000 1.377 902 M HN -0.118 nan 8.290 nan 0.000 0.415 903 R N -0.075 120.420 120.500 -0.008 0.000 2.148 903 R HA -0.050 4.292 4.340 0.003 0.000 0.223 903 R C 2.045 178.346 176.300 0.002 0.000 1.088 903 R CA 1.335 57.434 56.100 -0.001 0.000 0.985 903 R CB -0.261 30.037 30.300 -0.004 0.000 0.880 903 R HN 0.410 nan 8.270 nan 0.000 0.451 904 Q N 0.044 119.842 119.800 -0.003 0.000 2.245 904 Q HA -0.018 4.324 4.340 0.003 0.000 0.201 904 Q C 1.209 177.212 176.000 0.005 0.000 0.955 904 Q CA 0.948 56.749 55.803 -0.002 0.000 0.870 904 Q CB 0.287 29.019 28.738 -0.009 0.000 0.945 904 Q HN 0.223 nan 8.270 nan 0.000 0.461 905 K N 0.372 120.775 120.400 0.005 0.000 2.243 905 K HA -0.030 4.291 4.320 0.003 0.000 0.201 905 K C 1.698 178.316 176.600 0.030 0.000 1.051 905 K CA 0.415 56.709 56.287 0.013 0.000 0.970 905 K CB 0.342 32.846 32.500 0.006 0.000 0.755 905 K HN 0.151 nan 8.250 nan 0.000 0.465 906 E N 1.232 121.450 120.200 0.029 0.000 1.999 906 E HA -0.073 4.278 4.350 0.003 0.000 0.194 906 E C 1.247 177.881 176.600 0.057 0.000 0.995 906 E CA 0.078 56.503 56.400 0.041 0.000 0.825 906 E CB -0.535 29.184 29.700 0.031 0.000 0.777 906 E HN 0.222 nan 8.360 nan 0.000 0.459 907 I N 4.493 125.090 120.570 0.045 0.000 3.015 907 I HA -0.063 4.108 4.170 0.003 0.000 0.309 907 I C -2.110 174.048 176.117 0.069 0.000 1.229 907 I CA -0.884 60.446 61.300 0.049 0.000 1.430 907 I CB 0.568 38.583 38.000 0.025 0.000 1.347 907 I HN -0.093 nan 8.210 nan 0.000 0.544 908 P HA 0.268 nan 4.420 nan 0.000 0.286 908 P C -1.153 176.138 177.300 -0.014 0.000 1.269 908 P CA -0.320 62.871 63.100 0.152 0.000 0.787 908 P CB 1.103 33.026 31.700 0.370 0.000 0.920 909 R N 1.514 121.974 120.500 -0.066 0.000 2.943 909 R HA 0.746 5.087 4.340 0.003 0.000 0.246 909 R C -0.636 175.511 176.300 -0.255 0.000 1.201 909 R CA -1.137 54.877 56.100 -0.144 0.000 1.056 909 R CB 1.662 31.908 30.300 -0.089 0.000 1.243 909 R HN 0.341 nan 8.270 nan 0.000 0.498 910 V N 1.006 120.743 119.914 -0.296 0.000 3.102 910 V HA 0.559 4.681 4.120 0.003 0.000 0.312 910 V C -0.341 175.563 176.094 -0.317 0.000 1.135 910 V CA -0.660 61.396 62.300 -0.406 0.000 1.022 910 V CB 2.272 33.652 31.823 -0.738 0.000 1.056 910 V HN 0.588 nan 8.190 nan 0.000 0.436 911 L N 1.015 122.086 121.223 -0.253 0.000 2.801 911 L HA 0.583 4.925 4.340 0.003 0.000 0.221 911 L C 0.206 177.065 176.870 -0.019 0.000 1.895 911 L CA -0.988 53.791 54.840 -0.101 0.000 2.760 911 L CB -0.006 42.054 42.059 0.002 0.000 2.629 911 L HN 0.550 nan 8.230 nan 0.000 0.670 912 E N 1.529 121.793 120.200 0.107 0.000 2.565 912 E HA -0.060 4.291 4.350 0.003 0.000 0.268 912 E C -0.806 176.007 176.600 0.355 0.000 1.000 912 E CA 0.371 56.878 56.400 0.178 0.000 0.964 912 E CB 0.187 29.972 29.700 0.141 0.000 0.955 912 E HN 0.288 nan 8.360 nan 0.000 0.459 913 Q N 1.462 121.450 119.800 0.314 0.000 2.418 913 Q HA 0.519 4.861 4.340 0.003 0.000 0.276 913 Q C -0.062 176.005 176.000 0.111 0.000 1.081 913 Q CA -0.819 55.159 55.803 0.292 0.000 0.864 913 Q CB 1.152 30.012 28.738 0.202 0.000 1.384 913 Q HN 0.516 nan 8.270 nan 0.000 0.467 914 L N -1.394 119.840 121.223 0.018 0.000 2.746 914 L HA 0.310 4.652 4.340 0.003 0.000 0.230 914 L C 0.098 176.953 176.870 -0.025 0.000 1.034 914 L CA 0.010 54.860 54.840 0.015 0.000 0.922 914 L CB 0.669 42.759 42.059 0.051 0.000 1.496 914 L HN 0.841 nan 8.230 nan 0.000 0.498 915 E N -0.332 119.824 120.200 -0.072 0.000 2.416 915 E HA 0.254 4.606 4.350 0.003 0.000 0.280 915 E C -1.845 174.685 176.600 -0.115 0.000 1.055 915 E CA -0.598 55.757 56.400 -0.075 0.000 0.825 915 E CB 2.366 32.033 29.700 -0.055 0.000 1.312 915 E HN -0.157 nan 8.360 nan 0.000 0.452 916 D N 1.126 121.471 120.400 -0.091 0.000 2.425 916 D HA 0.598 5.240 4.640 0.003 0.000 0.240 916 D C -1.080 175.167 176.300 -0.089 0.000 1.080 916 D CA -0.384 53.557 54.000 -0.098 0.000 0.836 916 D CB 0.668 41.426 40.800 -0.069 0.000 1.125 916 D HN 0.459 nan 8.370 nan 0.000 0.525 917 L N 2.353 123.510 121.223 -0.110 0.000 2.472 917 L HA 0.289 4.631 4.340 0.003 0.000 0.260 917 L C -0.525 176.274 176.870 -0.119 0.000 0.963 917 L CA -1.103 53.674 54.840 -0.105 0.000 0.829 917 L CB 2.202 44.194 42.059 -0.112 0.000 1.348 917 L HN 0.261 nan 8.230 nan 0.000 0.408 918 D N 1.538 121.881 120.400 -0.095 0.000 2.704 918 D HA -0.186 4.456 4.640 0.003 0.000 0.232 918 D C 0.661 176.907 176.300 -0.091 0.000 1.183 918 D CA 1.459 55.404 54.000 -0.092 0.000 0.647 918 D CB -0.836 39.897 40.800 -0.111 0.000 1.013 918 D HN 0.884 nan 8.370 nan 0.000 0.415 919 S N -1.177 114.480 115.700 -0.071 0.000 3.559 919 S HA -0.398 4.073 4.470 0.003 0.000 0.369 919 S C 0.256 174.817 174.600 -0.065 0.000 0.987 919 S CA 1.273 59.442 58.200 -0.053 0.000 1.187 919 S CB -1.000 62.180 63.200 -0.034 0.000 0.914 919 S HN 0.877 nan 8.310 nan 0.000 0.480 920 R N 0.306 120.744 120.500 -0.104 0.000 2.912 920 R HA 0.430 4.771 4.340 0.003 0.000 0.278 920 R C -1.097 175.099 176.300 -0.174 0.000 1.533 920 R CA -0.576 55.442 56.100 -0.136 0.000 1.061 920 R CB 0.928 31.062 30.300 -0.277 0.000 1.313 920 R HN 0.260 nan 8.270 nan 0.000 0.443 921 V N 4.878 124.694 119.914 -0.164 0.000 2.614 921 V HA 0.191 4.312 4.120 0.003 0.000 0.291 921 V C 0.301 176.148 176.094 -0.412 0.000 1.049 921 V CA -0.375 61.733 62.300 -0.319 0.000 1.038 921 V CB 1.155 32.706 31.823 -0.453 0.000 0.980 921 V HN 0.545 nan 8.190 nan 0.000 0.481 922 L N 6.176 127.206 121.223 -0.322 0.000 2.257 922 L HA 0.453 4.795 4.340 0.003 0.000 0.290 922 L C -0.354 176.392 176.870 -0.207 0.000 1.044 922 L CA 0.351 55.101 54.840 -0.149 0.000 0.810 922 L CB 0.438 42.478 42.059 -0.031 0.000 1.193 922 L HN 0.501 nan 8.230 nan 0.000 0.425 923 Y N 2.417 122.796 120.300 0.131 0.000 2.496 923 Y HA 0.172 4.723 4.550 0.003 0.000 0.325 923 Y C 0.486 176.484 175.900 0.163 0.000 1.271 923 Y CA -0.095 58.076 58.100 0.119 0.000 1.368 923 Y CB 0.522 39.022 38.460 0.067 0.000 1.415 923 Y HN 0.572 nan 8.280 nan 0.000 0.527 924 Y N -1.059 119.381 120.300 0.234 0.000 2.526 924 Y HA 0.386 4.937 4.550 0.003 0.000 0.265 924 Y C 0.172 176.147 175.900 0.125 0.000 1.092 924 Y CA 0.285 58.473 58.100 0.147 0.000 1.277 924 Y CB 0.773 39.301 38.460 0.113 0.000 1.228 924 Y HN 0.408 nan 8.280 nan 0.000 0.507 925 S N 0.589 116.396 115.700 0.179 0.000 2.549 925 S HA 0.873 5.345 4.470 0.003 0.000 0.280 925 S C -1.357 173.247 174.600 0.007 0.000 1.109 925 S CA -0.006 58.225 58.200 0.053 0.000 0.905 925 S CB 1.322 64.639 63.200 0.196 0.000 1.081 925 S HN 0.634 nan 8.310 nan 0.000 0.477 926 A N 1.730 124.556 122.820 0.010 0.000 2.606 926 A HA 0.853 5.175 4.320 0.003 0.000 0.293 926 A C -0.592 177.056 177.584 0.106 0.000 1.082 926 A CA -0.598 51.398 52.037 -0.068 0.000 0.685 926 A CB 1.687 20.509 19.000 -0.298 0.000 1.284 926 A HN 0.829 nan 8.150 nan 0.000 0.408 927 T N 0.014 114.616 114.554 0.081 0.000 2.903 927 T HA 0.714 5.065 4.350 0.003 0.000 0.299 927 T C -1.201 173.679 174.700 0.299 0.000 1.093 927 T CA -0.507 61.681 62.100 0.147 0.000 1.002 927 T CB 1.295 70.168 68.868 0.008 0.000 1.127 927 T HN 0.908 nan 8.240 nan 0.000 0.488 928 K N 2.546 123.109 120.400 0.271 0.000 2.542 928 K HA 0.369 4.690 4.320 0.003 0.000 0.259 928 K C -0.335 176.335 176.600 0.116 0.000 0.932 928 K CA -0.543 55.920 56.287 0.293 0.000 0.820 928 K CB 0.936 33.717 32.500 0.467 0.000 1.345 928 K HN 0.724 nan 8.250 nan 0.000 0.432 929 N N 1.950 120.703 118.700 0.088 0.000 2.677 929 N HA -0.261 4.481 4.740 0.003 0.000 0.249 929 N C 0.561 176.076 175.510 0.008 0.000 1.073 929 N CA 1.934 55.011 53.050 0.045 0.000 0.737 929 N CB -0.914 37.604 38.487 0.053 0.000 0.999 929 N HN 0.991 nan 8.380 nan 0.000 0.543 930 G N -2.237 106.555 108.800 -0.013 0.000 2.175 930 G HA2 -0.311 3.651 3.960 0.003 0.000 0.244 930 G HA3 -0.311 3.651 3.960 0.003 0.000 0.244 930 G C 0.094 174.934 174.900 -0.100 0.000 0.982 930 G CA 0.178 45.252 45.100 -0.043 0.000 0.641 930 G HN 0.578 nan 8.290 nan 0.000 0.527 931 I N 0.705 121.167 120.570 -0.180 0.000 2.428 931 I HA 0.775 4.946 4.170 0.003 0.000 0.296 931 I C -0.141 175.655 176.117 -0.534 0.000 0.985 931 I CA -1.739 59.339 61.300 -0.370 0.000 1.260 931 I CB 1.382 39.084 38.000 -0.496 0.000 1.389 931 I HN 0.104 nan 8.210 nan 0.000 0.484 932 L N 8.829 129.789 121.223 -0.439 0.000 2.262 932 L HA 0.462 4.804 4.340 0.003 0.000 0.288 932 L C -1.585 175.107 176.870 -0.297 0.000 1.035 932 L CA -0.058 54.604 54.840 -0.296 0.000 0.820 932 L CB 0.218 42.206 42.059 -0.117 0.000 1.204 932 L HN 0.435 nan 8.230 nan 0.000 0.424 933 Y N 4.978 125.308 120.300 0.051 0.000 2.353 933 Y HA 0.598 5.149 4.550 0.003 0.000 0.340 933 Y C 0.296 176.181 175.900 -0.025 0.000 0.972 933 Y CA -0.565 57.558 58.100 0.038 0.000 1.157 933 Y CB 0.749 39.285 38.460 0.127 0.000 1.157 933 Y HN 0.480 nan 8.280 nan 0.000 0.495 934 R N 1.178 121.717 120.500 0.066 0.000 2.787 934 R HA 0.635 4.977 4.340 0.003 0.000 0.271 934 R C -1.046 175.158 176.300 -0.161 0.000 0.993 934 R CA -1.382 54.621 56.100 -0.163 0.000 0.993 934 R CB 1.730 31.940 30.300 -0.150 0.000 1.155 934 R HN 0.320 nan 8.270 nan 0.000 0.486 935 V N 2.223 121.918 119.914 -0.366 0.000 2.409 935 V HA 0.194 4.316 4.120 0.003 0.000 0.270 935 V C 1.174 177.256 176.094 -0.021 0.000 1.019 935 V CA 1.746 63.954 62.300 -0.154 0.000 1.066 935 V CB 0.302 32.038 31.823 -0.146 0.000 1.021 935 V HN 1.178 nan 8.190 nan 0.000 0.476 936 G N 3.950 112.785 108.800 0.059 0.000 2.260 936 G HA2 -0.137 3.825 3.960 0.003 0.000 0.179 936 G HA3 -0.137 3.825 3.960 0.003 0.000 0.179 936 G C -0.171 174.817 174.900 0.147 0.000 1.002 936 G CA -0.196 44.980 45.100 0.126 0.000 0.677 936 G HN 0.652 nan 8.290 nan 0.000 0.486 937 D N 0.214 120.684 120.400 0.117 0.000 2.423 937 D HA 0.561 5.203 4.640 0.003 0.000 0.255 937 D C 1.056 177.443 176.300 0.146 0.000 1.174 937 D CA 0.950 55.029 54.000 0.132 0.000 1.008 937 D CB 0.719 41.593 40.800 0.123 0.000 1.101 937 D HN 0.397 nan 8.370 nan 0.000 0.516 938 G N -1.213 107.664 108.800 0.127 0.000 2.477 938 G HA2 0.556 4.518 3.960 0.003 0.000 0.304 938 G HA3 0.556 4.518 3.960 0.003 0.000 0.304 938 G C -1.094 173.800 174.900 -0.011 0.000 1.175 938 G CA -0.378 44.783 45.100 0.102 0.000 0.907 938 G HN 0.297 nan 8.290 nan 0.000 0.509 939 V N 0.666 120.547 119.914 -0.053 0.000 2.851 939 V HA 0.312 4.433 4.120 0.003 0.000 0.307 939 V C -1.412 174.625 176.094 -0.096 0.000 1.129 939 V CA -0.993 61.212 62.300 -0.158 0.000 0.932 939 V CB 1.702 33.423 31.823 -0.169 0.000 1.024 939 V HN 0.640 nan 8.190 nan 0.000 0.426 940 Y N 4.015 124.202 120.300 -0.187 0.000 2.335 940 Y HA 0.828 5.380 4.550 0.003 0.000 0.323 940 Y C 0.107 175.789 175.900 -0.362 0.000 1.224 940 Y CA -1.518 56.386 58.100 -0.327 0.000 1.241 940 Y CB 1.378 39.450 38.460 -0.646 0.000 1.235 940 Y HN 0.416 nan 8.280 nan 0.000 0.492 941 L N 3.452 124.600 121.223 -0.126 0.000 2.505 941 L HA 0.428 4.769 4.340 0.003 0.000 0.259 941 L C -2.720 174.130 176.870 -0.034 0.000 0.952 941 L CA -2.264 52.513 54.840 -0.104 0.000 0.840 941 L CB 2.906 44.964 42.059 -0.002 0.000 1.358 941 L HN 0.345 nan 8.230 nan 0.000 0.409 942 P HA 0.039 nan 4.420 nan 0.000 0.268 942 P C -2.006 175.243 177.300 -0.085 0.000 1.208 942 P CA -0.842 62.275 63.100 0.028 0.000 0.777 942 P CB 0.140 31.836 31.700 -0.007 0.000 0.875 943 P HA -0.141 nan 4.420 nan 0.000 0.225 943 P C 0.391 177.560 177.300 -0.218 0.000 1.148 943 P CA 1.428 64.422 63.100 -0.176 0.000 0.779 943 P CB 0.100 31.732 31.700 -0.113 0.000 0.780 944 E N -0.249 119.862 120.200 -0.150 0.000 2.502 944 E HA 0.122 4.474 4.350 0.003 0.000 0.194 944 E C 2.023 178.541 176.600 -0.137 0.000 1.062 944 E CA 0.379 56.703 56.400 -0.126 0.000 0.867 944 E CB -0.689 28.968 29.700 -0.072 0.000 0.888 944 E HN 0.190 nan 8.360 nan 0.000 0.510 945 A N 0.965 123.663 122.820 -0.204 0.000 1.834 945 A HA 0.005 4.327 4.320 0.003 0.000 0.216 945 A C 0.706 178.289 177.584 -0.000 0.000 1.203 945 A CA 1.516 53.488 52.037 -0.108 0.000 0.621 945 A CB -0.400 18.507 19.000 -0.155 0.000 0.841 945 A HN 0.337 nan 8.150 nan 0.000 0.446 946 F N -4.583 115.234 119.950 -0.222 0.000 2.715 946 F HA 0.666 5.195 4.527 0.003 0.000 0.318 946 F C -0.501 175.081 175.800 -0.363 0.000 1.141 946 F CA -0.599 57.243 58.000 -0.264 0.000 0.950 946 F CB 1.286 40.108 39.000 -0.297 0.000 1.374 946 F HN -0.098 nan 8.300 nan 0.000 0.477 947 T N 1.425 115.898 114.554 -0.135 0.000 2.847 947 T HA 0.564 4.915 4.350 0.003 0.000 0.291 947 T C -1.079 173.557 174.700 -0.106 0.000 0.998 947 T CA -0.467 61.507 62.100 -0.210 0.000 0.967 947 T CB -0.167 68.662 68.868 -0.064 0.000 0.954 947 T HN 0.438 nan 8.240 nan 0.000 0.441 948 F N 4.135 124.139 119.950 0.089 0.000 2.629 948 F HA 0.107 4.635 4.527 0.003 0.000 0.369 948 F C 2.051 177.946 175.800 0.158 0.000 1.125 948 F CA -0.229 57.851 58.000 0.132 0.000 1.330 948 F CB 0.341 39.444 39.000 0.173 0.000 1.071 948 F HN 0.594 nan 8.300 nan 0.000 0.595 949 N N 1.897 120.798 118.700 0.334 0.000 2.635 949 N HA -0.121 4.620 4.740 0.003 0.000 0.191 949 N C 0.323 175.957 175.510 0.206 0.000 1.155 949 N CA 0.506 53.678 53.050 0.202 0.000 0.927 949 N CB -0.096 38.472 38.487 0.136 0.000 0.976 949 N HN 0.350 nan 8.380 nan 0.000 0.448 950 I N 2.299 123.056 120.570 0.312 0.000 2.421 950 I HA 0.007 4.179 4.170 0.003 0.000 0.291 950 I C 0.462 176.690 176.117 0.185 0.000 1.089 950 I CA -0.504 60.940 61.300 0.240 0.000 1.354 950 I CB 0.003 38.178 38.000 0.292 0.000 1.413 950 I HN -0.128 nan 8.210 nan 0.000 0.513 951 K N 6.715 127.187 120.400 0.120 0.000 2.323 951 K HA -0.092 4.230 4.320 0.003 0.000 0.262 951 K C 0.270 176.928 176.600 0.096 0.000 1.238 951 K CA 0.116 56.456 56.287 0.089 0.000 1.249 951 K CB -0.050 32.486 32.500 0.059 0.000 0.805 951 K HN 0.494 nan 8.250 nan 0.000 0.489 952 L N 3.195 124.477 121.223 0.100 0.000 2.776 952 L HA -0.132 4.210 4.340 0.003 0.000 0.283 952 L C 0.522 177.432 176.870 0.068 0.000 1.194 952 L CA 0.354 55.250 54.840 0.093 0.000 0.947 952 L CB 0.269 42.371 42.059 0.072 0.000 1.255 952 L HN 0.655 nan 8.230 nan 0.000 0.481 953 S N 3.816 119.556 115.700 0.066 0.000 2.811 953 S HA -0.011 4.461 4.470 0.003 0.000 0.325 953 S C 0.205 174.828 174.600 0.037 0.000 1.224 953 S CA -0.346 57.883 58.200 0.048 0.000 1.125 953 S CB -0.036 63.188 63.200 0.040 0.000 0.867 953 S HN 0.691 nan 8.310 nan 0.000 0.512 954 S N 6.074 121.793 115.700 0.032 0.000 2.489 954 S HA 0.535 5.006 4.470 0.003 0.000 0.291 954 S C -1.610 173.003 174.600 0.021 0.000 1.151 954 S CA -0.995 57.219 58.200 0.024 0.000 1.082 954 S CB 0.989 64.202 63.200 0.021 0.000 1.019 954 S HN 0.735 nan 8.310 nan 0.000 0.492 962 E N 2.057 122.251 120.200 -0.010 0.000 2.485 962 E HA 0.033 4.385 4.350 0.003 0.000 0.266 962 E C -1.796 174.789 176.600 -0.024 0.000 1.090 962 E CA -0.720 55.673 56.400 -0.013 0.000 0.987 962 E CB -0.788 28.907 29.700 -0.009 0.000 0.974 962 E HN 0.345 nan 8.360 nan 0.000 0.455 963 P HA -0.008 nan 4.420 nan 0.000 0.267 963 P C -0.147 177.119 177.300 -0.057 0.000 1.201 963 P CA -0.246 62.826 63.100 -0.047 0.000 0.775 963 P CB 0.630 32.310 31.700 -0.033 0.000 0.854 964 V N 1.674 121.521 119.914 -0.111 0.000 2.743 964 V HA 0.067 4.188 4.120 0.003 0.000 0.301 964 V C 0.474 176.563 176.094 -0.009 0.000 1.057 964 V CA -0.394 61.873 62.300 -0.055 0.000 1.006 964 V CB 1.063 32.790 31.823 -0.159 0.000 1.024 964 V HN 0.637 nan 8.190 nan 0.000 0.473 965 D N 3.215 123.639 120.400 0.040 0.000 2.419 965 D HA -0.043 4.599 4.640 0.003 0.000 0.281 965 D C 1.165 177.438 176.300 -0.046 0.000 1.398 965 D CA 0.565 54.541 54.000 -0.039 0.000 1.047 965 D CB 0.650 41.376 40.800 -0.123 0.000 1.115 965 D HN 0.624 nan 8.370 nan 0.000 0.540 966 E N 2.184 122.360 120.200 -0.039 0.000 2.136 966 E HA -0.241 4.111 4.350 0.003 0.000 0.202 966 E C 1.237 177.812 176.600 -0.042 0.000 1.019 966 E CA 1.642 58.024 56.400 -0.029 0.000 0.819 966 E CB 0.009 29.688 29.700 -0.035 0.000 0.739 966 E HN 0.581 nan 8.360 nan 0.000 0.458 967 D N -0.289 120.069 120.400 -0.071 0.000 2.234 967 D HA -0.058 4.584 4.640 0.003 0.000 0.205 967 D C 1.886 178.117 176.300 -0.114 0.000 0.962 967 D CA 0.482 54.432 54.000 -0.083 0.000 0.855 967 D CB 0.048 40.804 40.800 -0.074 0.000 0.951 967 D HN 0.088 nan 8.370 nan 0.000 0.500 968 L N -0.035 121.066 121.223 -0.204 0.000 2.095 968 L HA -0.074 4.268 4.340 0.003 0.000 0.204 968 L C 0.094 176.716 176.870 -0.414 0.000 1.080 968 L CA 1.412 56.022 54.840 -0.384 0.000 0.759 968 L CB -0.221 41.449 42.059 -0.649 0.000 0.914 968 L HN -0.095 nan 8.230 nan 0.000 0.439 969 Y N -0.188 120.094 120.300 -0.030 0.000 2.960 969 Y HA 0.368 4.919 4.550 0.003 0.000 0.343 969 Y C -1.691 174.211 175.900 0.004 0.000 1.106 969 Y CA -3.159 54.930 58.100 -0.018 0.000 1.221 969 Y CB -0.248 38.186 38.460 -0.042 0.000 1.232 969 Y HN 0.121 nan 8.280 nan 0.000 0.577 970 P HA -0.212 nan 4.420 nan 0.000 0.208 970 P C 1.304 178.665 177.300 0.101 0.000 1.189 970 P CA 1.486 64.627 63.100 0.069 0.000 0.931 970 P CB 0.494 32.214 31.700 0.032 0.000 0.783 971 E N -1.621 118.576 120.200 -0.005 0.000 2.510 971 E HA -0.205 4.147 4.350 0.003 0.000 0.202 971 E C 1.749 178.023 176.600 -0.543 0.000 1.072 971 E CA 0.319 56.499 56.400 -0.366 0.000 0.883 971 E CB -1.008 28.485 29.700 -0.345 0.000 0.818 971 E HN 0.317 nan 8.360 nan 0.000 0.548 972 H N -0.360 118.524 119.070 -0.309 0.000 2.421 972 H HA -0.213 4.345 4.556 0.003 0.000 0.298 972 H C 1.451 176.617 175.328 -0.270 0.000 1.087 972 H CA 1.788 57.672 56.048 -0.274 0.000 1.330 972 H CB -0.130 29.569 29.762 -0.105 0.000 1.388 972 H HN 0.495 nan 8.280 nan 0.000 0.526 973 Y N 0.495 120.810 120.300 0.026 0.000 2.315 973 Y HA -0.054 4.498 4.550 0.003 0.000 0.288 973 Y C 2.518 178.327 175.900 -0.151 0.000 1.154 973 Y CA 0.815 58.912 58.100 -0.006 0.000 1.229 973 Y CB -0.942 37.523 38.460 0.008 0.000 0.980 973 Y HN -0.046 nan 8.280 nan 0.000 0.540 974 R N 1.304 121.296 120.500 -0.846 0.000 2.303 974 R HA -0.064 4.278 4.340 0.003 0.000 0.225 974 R C 0.552 176.539 176.300 -0.521 0.000 1.114 974 R CA 0.847 56.483 56.100 -0.774 0.000 1.007 974 R CB -0.153 29.662 30.300 -0.808 0.000 0.861 974 R HN 0.401 nan 8.270 nan 0.000 0.471 975 K N 0.331 120.480 120.400 -0.419 0.000 3.216 975 K HA -0.072 4.250 4.320 0.003 0.000 0.277 975 K C 0.072 176.586 176.600 -0.144 0.000 1.246 975 K CA -0.119 55.989 56.287 -0.298 0.000 1.227 975 K CB 0.054 32.296 32.500 -0.430 0.000 1.487 975 K HN 0.184 nan 8.250 nan 0.000 0.341 976 Y N 0.927 121.119 120.300 -0.179 0.000 2.062 976 Y HA -0.199 4.353 4.550 0.003 0.000 0.272 976 Y C 1.617 177.497 175.900 -0.033 0.000 1.117 976 Y CA 1.490 59.547 58.100 -0.071 0.000 1.095 976 Y CB 0.052 38.497 38.460 -0.026 0.000 0.985 976 Y HN 0.163 nan 8.280 nan 0.000 0.479 985 L N 0.272 121.513 121.223 0.030 0.000 2.217 985 L HA 0.056 4.397 4.340 0.003 0.000 0.211 985 L C 0.800 177.670 176.870 -0.000 0.000 1.107 985 L CA 1.302 56.148 54.840 0.010 0.000 0.783 985 L CB -0.161 41.902 42.059 0.007 0.000 0.919 985 L HN -0.003 nan 8.230 nan 0.000 0.442 986 D N 0.448 120.848 120.400 -0.000 0.000 2.349 986 D HA 0.090 4.732 4.640 0.003 0.000 0.215 986 D C 1.004 177.284 176.300 -0.034 0.000 1.016 986 D CA 0.220 54.215 54.000 -0.010 0.000 0.870 986 D CB 0.038 40.840 40.800 0.005 0.000 0.917 986 D HN 0.145 nan 8.370 nan 0.000 0.524 987 A N 2.141 124.925 122.820 -0.060 0.000 2.545 987 A HA 0.254 4.576 4.320 0.003 0.000 0.253 987 A C -1.875 175.670 177.584 -0.066 0.000 1.074 987 A CA -0.672 51.309 52.037 -0.093 0.000 0.760 987 A CB -0.226 18.691 19.000 -0.138 0.000 1.005 987 A HN -0.014 nan 8.150 nan 0.000 0.506 988 P HA 0.179 nan 4.420 nan 0.000 0.275 988 P C -0.121 177.133 177.300 -0.077 0.000 1.270 988 P CA -0.312 62.744 63.100 -0.073 0.000 0.791 988 P CB 0.455 32.100 31.700 -0.091 0.000 1.089 989 E N 0.597 120.751 120.200 -0.078 0.000 2.277 989 E HA 0.264 4.615 4.350 0.003 0.000 0.274 989 E C -2.093 174.439 176.600 -0.113 0.000 1.022 989 E CA -1.771 54.588 56.400 -0.068 0.000 0.853 989 E CB -0.150 29.522 29.700 -0.046 0.000 1.086 989 E HN 0.326 nan 8.360 nan 0.000 0.397 990 P HA -0.086 nan 4.420 nan 0.000 0.273 990 P C -0.729 176.494 177.300 -0.129 0.000 1.258 990 P CA 0.138 63.154 63.100 -0.141 0.000 0.802 990 P CB 0.261 31.939 31.700 -0.038 0.000 1.040 991 Y N -0.002 120.183 120.300 -0.190 0.000 2.357 991 Y HA 0.134 4.685 4.550 0.003 0.000 0.340 991 Y C 1.450 177.270 175.900 -0.133 0.000 1.260 991 Y CA 0.443 58.416 58.100 -0.213 0.000 1.425 991 Y CB 0.225 38.438 38.460 -0.412 0.000 1.326 991 Y HN 0.053 nan 8.280 nan 0.000 0.580 992 R N 2.817 123.369 120.500 0.086 0.000 2.297 992 R HA 0.432 4.773 4.340 0.003 0.000 0.308 992 R C -0.830 175.556 176.300 0.143 0.000 1.029 992 R CA -0.413 55.686 56.100 -0.002 0.000 0.929 992 R CB 0.551 30.662 30.300 -0.316 0.000 1.046 992 R HN 0.639 nan 8.270 nan 0.000 0.461 993 I N 0.886 121.575 120.570 0.198 0.000 2.493 993 I HA 0.590 4.762 4.170 0.003 0.000 0.298 993 I C 0.662 177.005 176.117 0.376 0.000 0.998 993 I CA -0.642 60.793 61.300 0.225 0.000 1.137 993 I CB 2.308 40.311 38.000 0.005 0.000 1.310 993 I HN 0.576 nan 8.210 nan 0.000 0.445 994 G N 3.488 112.482 108.800 0.323 0.000 2.677 994 G HA2 0.630 4.591 3.960 0.003 0.000 0.291 994 G HA3 0.630 4.591 3.960 0.003 0.000 0.291 994 G C -1.839 173.195 174.900 0.224 0.000 1.435 994 G CA -0.758 44.483 45.100 0.235 0.000 0.826 994 G HN 0.406 nan 8.290 nan 0.000 0.491 995 R N 0.056 120.616 120.500 0.100 0.000 2.346 995 R HA 0.536 4.878 4.340 0.003 0.000 0.311 995 R C 0.300 176.630 176.300 0.050 0.000 0.983 995 R CA -0.799 55.401 56.100 0.168 0.000 0.880 995 R CB 0.661 31.099 30.300 0.229 0.000 1.100 995 R HN 0.454 nan 8.270 nan 0.000 0.453 996 I N 4.215 124.825 120.570 0.066 0.000 2.329 996 I HA 0.155 4.326 4.170 0.003 0.000 0.295 996 I C 0.949 177.093 176.117 0.046 0.000 1.109 996 I CA -0.272 61.041 61.300 0.021 0.000 1.297 996 I CB 1.003 39.012 38.000 0.014 0.000 1.433 996 I HN 0.524 nan 8.210 nan 0.000 0.509 997 K N 5.200 125.622 120.400 0.037 0.000 2.099 997 K HA 0.152 4.473 4.320 0.003 0.000 0.203 997 K C 0.335 176.980 176.600 0.075 0.000 1.047 997 K CA 1.274 57.604 56.287 0.073 0.000 0.963 997 K CB 0.432 32.973 32.500 0.067 0.000 0.759 997 K HN 0.680 nan 8.250 nan 0.000 0.451 998 E N -0.401 119.839 120.200 0.066 0.000 2.369 998 E HA 0.434 4.786 4.350 0.003 0.000 0.270 998 E C -0.956 175.681 176.600 0.062 0.000 0.909 998 E CA -0.755 55.712 56.400 0.111 0.000 0.775 998 E CB 2.517 32.339 29.700 0.203 0.000 1.270 998 E HN 0.011 nan 8.360 nan 0.000 0.445 999 I N 2.700 123.337 120.570 0.111 0.000 2.512 999 I HA 0.432 4.603 4.170 0.003 0.000 0.287 999 I C -0.983 175.257 176.117 0.205 0.000 1.069 999 I CA -0.705 60.624 61.300 0.048 0.000 1.056 999 I CB 0.679 38.723 38.000 0.074 0.000 1.229 999 I HN 0.495 nan 8.210 nan 0.000 0.429 1000 F N 4.951 124.960 119.950 0.099 0.000 3.016 1000 F HA 0.878 5.407 4.527 0.003 0.000 0.324 1000 F C -1.073 174.798 175.800 0.118 0.000 1.196 1000 F CA -1.774 56.272 58.000 0.077 0.000 0.929 1000 F CB 1.255 40.243 39.000 -0.020 0.000 1.440 1000 F HN 0.518 nan 8.300 nan 0.000 0.505 1001 C N -0.838 118.802 119.300 0.567 0.000 2.931 1001 C HA 0.751 5.212 4.460 0.003 0.000 0.370 1001 C C -3.079 172.076 174.990 0.275 0.000 1.071 1001 C CA -1.764 57.485 59.018 0.386 0.000 1.266 1001 C CB 1.323 29.250 27.740 0.312 0.000 1.691 1001 C HN 0.753 nan 8.230 nan 0.000 0.511 1002 P HA 0.319 nan 4.420 nan 0.000 0.278 1002 P C -1.060 176.283 177.300 0.071 0.000 1.270 1002 P CA 0.167 63.333 63.100 0.111 0.000 0.800 1002 P CB 0.333 32.097 31.700 0.106 0.000 1.142 1003 K N -0.933 119.489 120.400 0.035 0.000 2.583 1003 K HA 0.277 4.598 4.320 0.003 0.000 0.260 1003 K C -1.392 175.216 176.600 0.014 0.000 0.931 1003 K CA -0.975 55.328 56.287 0.027 0.000 0.849 1003 K CB 1.231 33.741 32.500 0.016 0.000 1.347 1003 K HN 0.028 nan 8.250 nan 0.000 0.425 1004 K N 2.823 123.233 120.400 0.016 0.000 2.273 1004 K HA 0.073 4.394 4.320 0.003 0.000 0.287 1004 K C -0.537 176.066 176.600 0.005 0.000 1.089 1004 K CA 0.162 56.455 56.287 0.010 0.000 0.909 1004 K CB 0.859 33.367 32.500 0.013 0.000 1.123 1004 K HN 0.764 nan 8.250 nan 0.000 0.473 1005 S N 4.665 120.364 115.700 -0.001 0.000 3.799 1005 S HA -0.183 4.289 4.470 0.003 0.000 0.454 1005 S C 0.255 174.854 174.600 -0.001 0.000 1.130 1005 S CA 1.432 59.630 58.200 -0.004 0.000 0.966 1005 S CB -0.345 62.851 63.200 -0.007 0.000 0.680 1005 S HN 0.937 nan 8.310 nan 0.000 0.496 1006 N N 1.119 119.818 118.700 -0.002 0.000 2.545 1006 N HA -0.083 4.659 4.740 0.003 0.000 0.151 1006 N C -0.073 175.440 175.510 0.004 0.000 1.658 1006 N CA 1.129 54.179 53.050 0.001 0.000 3.167 1006 N CB -1.486 37.002 38.487 0.002 0.000 1.466 1006 N HN 0.800 nan 8.380 nan 0.000 1.093 1007 G N -0.507 108.298 108.800 0.008 0.000 2.441 1007 G HA2 0.600 4.562 3.960 0.003 0.000 0.334 1007 G HA3 0.600 4.562 3.960 0.003 0.000 0.334 1007 G C 0.441 175.351 174.900 0.016 0.000 1.161 1007 G CA -0.266 44.842 45.100 0.014 0.000 0.935 1007 G HN 0.012 nan 8.290 nan 0.000 0.488 1008 R N 0.144 120.659 120.500 0.025 0.000 2.102 1008 R HA 0.197 4.539 4.340 0.003 0.000 0.208 1008 R C -1.663 174.671 176.300 0.057 0.000 1.131 1008 R CA 0.232 56.346 56.100 0.024 0.000 1.054 1008 R CB -1.279 29.031 30.300 0.017 0.000 0.954 1008 R HN 0.466 nan 8.270 nan 0.000 0.465 1009 P HA 0.148 nan 4.420 nan 0.000 0.279 1009 P C -0.931 176.434 177.300 0.108 0.000 1.282 1009 P CA -0.172 63.023 63.100 0.158 0.000 0.788 1009 P CB 0.895 32.689 31.700 0.157 0.000 1.139 1010 N N -0.746 118.022 118.700 0.114 0.000 3.392 1010 N HA 0.085 4.826 4.740 0.003 0.000 0.223 1010 N C -1.092 174.448 175.510 0.051 0.000 1.137 1010 N CA -0.297 52.797 53.050 0.073 0.000 0.991 1010 N CB 1.097 39.631 38.487 0.078 0.000 1.602 1010 N HN 0.341 nan 8.380 nan 0.000 0.702 1011 E N 1.675 121.887 120.200 0.019 0.000 2.330 1011 E HA 0.419 4.770 4.350 0.003 0.000 0.256 1011 E C 0.450 177.056 176.600 0.011 0.000 1.146 1011 E CA 0.577 56.973 56.400 -0.007 0.000 0.945 1011 E CB 1.042 30.731 29.700 -0.019 0.000 1.182 1011 E HN 0.480 nan 8.360 nan 0.000 0.480 1012 T N -0.042 114.518 114.554 0.010 0.000 7.578 1012 T HA -0.236 4.115 4.350 0.003 0.000 0.299 1012 T C -0.304 174.418 174.700 0.037 0.000 2.097 1012 T CA 1.768 63.885 62.100 0.028 0.000 3.248 1012 T CB -1.031 67.851 68.868 0.024 0.000 2.014 1012 T HN 0.640 nan 8.240 nan 0.000 1.198 1013 D N 0.416 120.836 120.400 0.035 0.000 3.060 1013 D HA 0.338 4.980 4.640 0.003 0.000 0.326 1013 D C -0.277 176.049 176.300 0.043 0.000 1.253 1013 D CA -0.361 53.666 54.000 0.046 0.000 0.737 1013 D CB -0.302 40.529 40.800 0.053 0.000 1.260 1013 D HN 0.578 nan 8.370 nan 0.000 0.542 1014 I N 1.285 121.864 120.570 0.015 0.000 2.365 1014 I HA 0.238 4.410 4.170 0.003 0.000 0.291 1014 I C 0.583 176.674 176.117 -0.043 0.000 1.004 1014 I CA -0.601 60.671 61.300 -0.047 0.000 1.311 1014 I CB 1.292 39.154 38.000 -0.231 0.000 1.401 1014 I HN -0.075 nan 8.210 nan 0.000 0.491 1015 K N 7.678 127.954 120.400 -0.207 0.000 2.211 1015 K HA 0.668 4.989 4.320 0.003 0.000 0.237 1015 K C -1.274 175.025 176.600 -0.501 0.000 1.002 1015 K CA -0.525 55.544 56.287 -0.363 0.000 0.885 1015 K CB 1.792 33.970 32.500 -0.537 0.000 1.136 1015 K HN 0.577 nan 8.250 nan 0.000 0.448 1016 I N 2.144 122.488 120.570 -0.376 0.000 2.569 1016 I HA 0.273 4.445 4.170 0.003 0.000 0.290 1016 I C -0.570 175.410 176.117 -0.228 0.000 1.088 1016 I CA -1.068 60.067 61.300 -0.275 0.000 1.047 1016 I CB 2.243 40.178 38.000 -0.108 0.000 1.237 1016 I HN 0.476 nan 8.210 nan 0.000 0.421 1017 R N 4.945 125.351 120.500 -0.158 0.000 2.234 1017 R HA 0.633 4.974 4.340 0.003 0.000 0.324 1017 R C -1.497 174.741 176.300 -0.105 0.000 1.054 1017 R CA -0.124 55.931 56.100 -0.075 0.000 0.912 1017 R CB 0.844 31.168 30.300 0.041 0.000 1.030 1017 R HN 0.429 nan 8.270 nan 0.000 0.455 1018 V N 4.595 124.403 119.914 -0.177 0.000 2.735 1018 V HA 0.384 4.505 4.120 0.003 0.000 0.310 1018 V C -0.501 175.395 176.094 -0.330 0.000 1.061 1018 V CA -1.095 61.073 62.300 -0.221 0.000 0.913 1018 V CB 2.354 34.031 31.823 -0.244 0.000 1.005 1018 V HN 0.754 nan 8.190 nan 0.000 0.428 1019 N N 4.155 122.642 118.700 -0.354 0.000 2.420 1019 N HA 0.186 4.927 4.740 0.003 0.000 0.249 1019 N C -0.256 174.855 175.510 -0.665 0.000 1.033 1019 N CA -0.529 52.170 53.050 -0.584 0.000 0.944 1019 N CB 1.368 39.373 38.487 -0.804 0.000 1.113 1019 N HN 0.672 nan 8.380 nan 0.000 0.502 1020 K N 2.900 122.930 120.400 -0.616 0.000 2.401 1020 K HA 0.124 4.445 4.320 0.003 0.000 0.278 1020 K C -0.753 175.642 176.600 -0.341 0.000 1.018 1020 K CA 0.306 56.352 56.287 -0.402 0.000 0.981 1020 K CB 0.181 32.475 32.500 -0.343 0.000 0.933 1020 K HN 0.142 nan 8.250 nan 0.000 0.477 1021 F N 2.040 122.000 119.950 0.017 0.000 2.432 1021 F HA 0.321 4.850 4.527 0.003 0.000 0.329 1021 F C -0.329 175.478 175.800 0.010 0.000 1.076 1021 F CA -0.793 57.219 58.000 0.019 0.000 1.018 1021 F CB 1.106 40.130 39.000 0.039 0.000 1.201 1021 F HN 0.396 nan 8.300 nan 0.000 0.489 1022 Y N 2.055 122.544 120.300 0.315 0.000 2.328 1022 Y HA 0.490 5.041 4.550 0.003 0.000 0.337 1022 Y C 0.116 176.035 175.900 0.031 0.000 0.966 1022 Y CA -0.736 57.374 58.100 0.017 0.000 1.136 1022 Y CB 1.139 39.585 38.460 -0.024 0.000 1.170 1022 Y HN 0.355 nan 8.280 nan 0.000 0.470 1023 R N 5.204 125.730 120.500 0.042 0.000 2.459 1023 R HA 0.208 4.550 4.340 0.003 0.000 0.281 1023 R C -1.590 174.738 176.300 0.047 0.000 1.050 1023 R CA -1.667 54.444 56.100 0.019 0.000 1.055 1023 R CB 0.610 30.902 30.300 -0.013 0.000 1.045 1023 R HN 0.406 nan 8.270 nan 0.000 0.495 1024 P HA -0.263 nan 4.420 nan 0.000 0.216 1024 P C 0.400 177.678 177.300 -0.036 0.000 1.154 1024 P CA 1.570 64.720 63.100 0.084 0.000 0.865 1024 P CB 0.091 31.834 31.700 0.071 0.000 0.789 1025 E N -0.134 120.045 120.200 -0.034 0.000 2.482 1025 E HA -0.088 4.263 4.350 0.003 0.000 0.200 1025 E C 0.809 177.370 176.600 -0.066 0.000 1.147 1025 E CA 0.491 56.861 56.400 -0.049 0.000 0.912 1025 E CB -1.174 28.519 29.700 -0.012 0.000 0.938 1025 E HN 0.466 nan 8.360 nan 0.000 0.519 1026 N N 0.496 119.125 118.700 -0.118 0.000 2.516 1026 N HA -0.031 4.710 4.740 0.003 0.000 0.197 1026 N C 0.721 176.116 175.510 -0.190 0.000 1.064 1026 N CA 0.554 53.495 53.050 -0.182 0.000 0.866 1026 N CB 0.461 38.687 38.487 -0.436 0.000 1.255 1026 N HN 0.220 nan 8.380 nan 0.000 0.447 1027 T N -0.307 114.030 114.554 -0.362 0.000 2.619 1027 T HA -0.103 4.249 4.350 0.003 0.000 0.330 1027 T C 1.478 176.010 174.700 -0.279 0.000 1.037 1027 T CA 0.003 61.718 62.100 -0.643 0.000 1.005 1027 T CB 0.112 68.280 68.868 -1.167 0.000 1.084 1027 T HN 0.277 nan 8.240 nan 0.000 0.521 1028 H N -0.536 118.476 119.070 -0.097 0.000 2.457 1028 H HA 0.015 4.573 4.556 0.003 0.000 0.294 1028 H C 1.941 177.254 175.328 -0.025 0.000 1.064 1028 H CA 1.341 57.379 56.048 -0.017 0.000 1.330 1028 H CB -0.320 29.452 29.762 0.016 0.000 1.395 1028 H HN 0.534 nan 8.280 nan 0.000 0.541 1029 K N 1.743 121.899 120.400 -0.406 0.000 2.281 1029 K HA -0.115 4.207 4.320 0.003 0.000 0.203 1029 K C 0.508 177.048 176.600 -0.100 0.000 1.046 1029 K CA 0.939 57.124 56.287 -0.170 0.000 0.938 1029 K CB -0.125 32.243 32.500 -0.221 0.000 0.737 1029 K HN 0.381 nan 8.250 nan 0.000 0.458 1030 S N -2.213 113.420 115.700 -0.113 0.000 3.654 1030 S HA -0.296 4.175 4.470 0.003 0.000 0.640 1030 S C 1.131 175.665 174.600 -0.110 0.000 2.223 1030 S CA 1.124 59.276 58.200 -0.080 0.000 2.391 1030 S CB -1.689 61.491 63.200 -0.034 0.000 0.328 1030 S HN 0.654 nan 8.310 nan 0.000 1.790 1031 T N 2.429 116.935 114.554 -0.081 0.000 2.701 1031 T HA -0.161 4.191 4.350 0.003 0.000 0.265 1031 T C -0.251 174.298 174.700 -0.252 0.000 1.032 1031 T CA 2.475 64.524 62.100 -0.085 0.000 1.158 1031 T CB -1.451 67.411 68.868 -0.010 0.000 0.854 1031 T HN 0.634 nan 8.240 nan 0.000 0.463 1032 P HA 0.054 nan 4.420 nan 0.000 0.226 1032 P C 1.208 177.967 177.300 -0.901 0.000 1.146 1032 P CA 1.295 63.713 63.100 -1.136 0.000 0.773 1032 P CB -0.349 30.962 31.700 -0.648 0.000 0.772 1033 A N 1.034 123.625 122.820 -0.381 0.000 2.066 1033 A HA -0.075 4.247 4.320 0.003 0.000 0.218 1033 A C 2.200 179.742 177.584 -0.069 0.000 1.157 1033 A CA 1.505 53.438 52.037 -0.172 0.000 0.670 1033 A CB -1.216 17.724 19.000 -0.101 0.000 0.804 1033 A HN 0.378 nan 8.150 nan 0.000 0.453 1034 S N -1.404 114.257 115.700 -0.065 0.000 2.660 1034 S HA 0.038 4.510 4.470 0.003 0.000 0.223 1034 S C 1.367 176.109 174.600 0.236 0.000 0.963 1034 S CA 0.088 58.338 58.200 0.082 0.000 0.932 1034 S CB -0.901 62.353 63.200 0.090 0.000 0.775 1034 S HN 0.678 nan 8.310 nan 0.000 0.531 1035 Y N 0.737 121.032 120.300 -0.008 0.000 2.220 1035 Y HA -0.022 4.529 4.550 0.003 0.000 0.291 1035 Y C 2.675 178.455 175.900 -0.199 0.000 1.129 1035 Y CA 0.751 58.778 58.100 -0.122 0.000 1.161 1035 Y CB -0.122 38.207 38.460 -0.217 0.000 0.997 1035 Y HN 0.480 nan 8.280 nan 0.000 0.522 1036 H N -0.865 118.335 119.070 0.217 0.000 2.705 1036 H HA 0.319 4.876 4.556 0.003 0.000 0.269 1036 H C 0.848 176.263 175.328 0.145 0.000 0.998 1036 H CA 0.223 56.362 56.048 0.152 0.000 1.193 1036 H CB 0.302 30.125 29.762 0.102 0.000 1.485 1036 H HN 0.121 nan 8.280 nan 0.000 0.521 1037 A N 1.241 124.193 122.820 0.220 0.000 2.346 1037 A HA 0.158 4.480 4.320 0.003 0.000 0.252 1037 A C -0.330 177.349 177.584 0.158 0.000 1.089 1037 A CA -0.300 51.825 52.037 0.147 0.000 0.797 1037 A CB 0.267 19.308 19.000 0.069 0.000 1.047 1037 A HN 0.104 nan 8.150 nan 0.000 0.494 1038 D N 0.311 120.769 120.400 0.096 0.000 2.264 1038 D HA 0.314 4.955 4.640 0.003 0.000 0.250 1038 D C 1.469 177.594 176.300 -0.292 0.000 1.113 1038 D CA -0.067 53.927 54.000 -0.009 0.000 0.871 1038 D CB 0.834 41.737 40.800 0.172 0.000 1.167 1038 D HN 0.446 nan 8.370 nan 0.000 0.447 1039 I N 0.053 120.163 120.570 -0.766 0.000 2.953 1039 I HA -0.174 3.998 4.170 0.003 0.000 0.271 1039 I C 0.586 176.394 176.117 -0.515 0.000 1.286 1039 I CA 0.944 61.824 61.300 -0.700 0.000 1.449 1039 I CB -0.329 36.964 38.000 -1.178 0.000 1.086 1039 I HN 0.222 nan 8.210 nan 0.000 0.483 1040 N N 1.375 119.850 118.700 -0.375 0.000 2.433 1040 N HA 0.169 4.910 4.740 0.003 0.000 0.270 1040 N C -0.504 175.133 175.510 0.211 0.000 1.354 1040 N CA -0.487 52.609 53.050 0.076 0.000 0.889 1040 N CB 0.620 38.961 38.487 -0.242 0.000 1.285 1040 N HN 0.305 nan 8.380 nan 0.000 0.503 1041 L N 0.754 121.943 121.223 -0.056 0.000 2.307 1041 L HA 0.630 4.972 4.340 0.003 0.000 0.284 1041 L C -1.095 175.585 176.870 -0.317 0.000 1.023 1041 L CA -0.570 54.039 54.840 -0.385 0.000 0.810 1041 L CB 1.090 42.901 42.059 -0.414 0.000 1.231 1041 L HN -0.016 nan 8.230 nan 0.000 0.423 1042 L N 4.460 125.456 121.223 -0.378 0.000 2.183 1042 L HA 0.621 4.962 4.340 0.003 0.000 0.253 1042 L C -1.416 175.302 176.870 -0.253 0.000 1.048 1042 L CA -0.517 54.180 54.840 -0.238 0.000 0.890 1042 L CB 1.789 43.724 42.059 -0.207 0.000 1.476 1042 L HN 0.422 nan 8.230 nan 0.000 0.455 1043 Y N -0.397 120.099 120.300 0.326 0.000 2.421 1043 Y HA 0.307 4.859 4.550 0.003 0.000 0.339 1043 Y C -0.814 175.367 175.900 0.469 0.000 0.996 1043 Y CA -0.883 57.446 58.100 0.381 0.000 1.046 1043 Y CB 1.739 40.397 38.460 0.330 0.000 1.226 1043 Y HN 0.455 nan 8.280 nan 0.000 0.445 1044 W N 4.940 126.363 121.300 0.204 0.000 2.272 1044 W HA 0.535 5.197 4.660 0.003 0.000 0.318 1044 W C -0.749 175.767 176.519 -0.004 0.000 1.255 1044 W CA -0.218 57.048 57.345 -0.131 0.000 1.200 1044 W CB 1.598 30.680 29.460 -0.630 0.000 1.170 1044 W HN 0.660 nan 8.180 nan 0.000 0.549 1045 S N 2.523 117.820 115.700 -0.672 0.000 2.704 1045 S HA 0.310 4.782 4.470 0.003 0.000 0.296 1045 S C 0.083 174.342 174.600 -0.569 0.000 1.138 1045 S CA -0.564 57.447 58.200 -0.314 0.000 0.875 1045 S CB 1.948 65.207 63.200 0.099 0.000 1.151 1045 S HN 0.487 nan 8.310 nan 0.000 0.500 1046 D N -0.774 119.506 120.400 -0.200 0.000 2.328 1046 D HA 0.131 4.773 4.640 0.003 0.000 0.221 1046 D C -0.047 176.160 176.300 -0.155 0.000 1.072 1046 D CA -0.115 53.810 54.000 -0.124 0.000 0.850 1046 D CB -0.325 40.473 40.800 -0.004 0.000 0.922 1046 D HN 0.661 nan 8.370 nan 0.000 0.516 1047 E N 0.414 120.503 120.200 -0.184 0.000 2.349 1047 E HA 0.473 4.825 4.350 0.003 0.000 0.262 1047 E C -0.132 176.306 176.600 -0.270 0.000 1.088 1047 E CA -0.314 55.990 56.400 -0.159 0.000 0.899 1047 E CB 1.234 30.895 29.700 -0.066 0.000 1.044 1047 E HN 0.157 nan 8.360 nan 0.000 0.420 1048 E N -0.327 119.728 120.200 -0.242 0.000 2.446 1048 E HA 0.757 5.109 4.350 0.003 0.000 0.276 1048 E C -1.548 174.867 176.600 -0.309 0.000 0.969 1048 E CA -1.176 55.049 56.400 -0.292 0.000 0.800 1048 E CB 2.174 31.759 29.700 -0.192 0.000 1.341 1048 E HN 0.459 nan 8.360 nan 0.000 0.460 1049 A N 0.630 123.238 122.820 -0.353 0.000 2.594 1049 A HA 0.486 4.807 4.320 0.003 0.000 0.296 1049 A C -1.614 175.819 177.584 -0.253 0.000 1.056 1049 A CA -0.573 51.269 52.037 -0.325 0.000 0.693 1049 A CB 1.302 19.991 19.000 -0.518 0.000 1.278 1049 A HN 0.240 nan 8.150 nan 0.000 0.408 1050 V N 1.952 121.780 119.914 -0.144 0.000 2.407 1050 V HA 0.562 4.684 4.120 0.003 0.000 0.278 1050 V C -0.241 175.801 176.094 -0.086 0.000 1.037 1050 V CA -0.243 62.000 62.300 -0.096 0.000 0.900 1050 V CB 1.211 33.029 31.823 -0.009 0.000 0.983 1050 V HN 0.734 nan 8.190 nan 0.000 0.459 1051 V N 3.265 123.119 119.914 -0.100 0.000 2.823 1051 V HA 0.360 4.481 4.120 0.003 0.000 0.312 1051 V C -0.418 175.639 176.094 -0.062 0.000 1.072 1051 V CA -0.971 61.292 62.300 -0.061 0.000 0.937 1051 V CB 2.310 34.108 31.823 -0.043 0.000 1.013 1051 V HN 0.875 nan 8.190 nan 0.000 0.430 1052 D N 1.673 122.054 120.400 -0.032 0.000 2.363 1052 D HA 0.055 4.697 4.640 0.003 0.000 0.263 1052 D C 0.857 177.160 176.300 0.006 0.000 1.258 1052 D CA 0.179 54.177 54.000 -0.003 0.000 0.907 1052 D CB 0.325 41.130 40.800 0.008 0.000 1.107 1052 D HN 0.439 nan 8.370 nan 0.000 0.495 1053 F N 4.530 124.407 119.950 -0.121 0.000 2.106 1053 F HA -0.336 4.193 4.527 0.003 0.000 0.299 1053 F C 2.059 177.799 175.800 -0.100 0.000 1.082 1053 F CA 2.146 60.066 58.000 -0.132 0.000 1.244 1053 F CB -0.077 38.850 39.000 -0.121 0.000 0.997 1053 F HN 0.511 nan 8.300 nan 0.000 0.486 1054 K N 0.113 120.563 120.400 0.082 0.000 2.633 1054 K HA 0.091 4.413 4.320 0.003 0.000 0.193 1054 K C 1.422 177.956 176.600 -0.111 0.000 1.033 1054 K CA 0.929 57.215 56.287 -0.002 0.000 0.980 1054 K CB -0.449 32.098 32.500 0.079 0.000 0.800 1054 K HN 0.316 nan 8.250 nan 0.000 0.493 1055 A N 1.459 124.180 122.820 -0.165 0.000 2.140 1055 A HA 0.125 4.447 4.320 0.003 0.000 0.209 1055 A C 0.983 178.443 177.584 -0.206 0.000 1.181 1055 A CA 0.154 52.106 52.037 -0.141 0.000 0.824 1055 A CB -0.036 18.910 19.000 -0.091 0.000 0.879 1055 A HN 0.290 nan 8.150 nan 0.000 0.480 1056 V N -1.181 118.521 119.914 -0.353 0.000 2.928 1056 V HA 0.083 4.205 4.120 0.003 0.000 0.307 1056 V C 0.160 176.083 176.094 -0.286 0.000 1.105 1056 V CA 0.407 62.476 62.300 -0.385 0.000 1.223 1056 V CB 0.544 31.966 31.823 -0.668 0.000 0.930 1056 V HN 0.440 nan 8.190 nan 0.000 0.499 1057 Q N 3.664 123.302 119.800 -0.269 0.000 2.165 1057 Q HA 0.495 4.836 4.340 0.003 0.000 0.245 1057 Q C 0.420 176.339 176.000 -0.135 0.000 0.841 1057 Q CA 0.663 56.325 55.803 -0.234 0.000 1.078 1057 Q CB 0.820 29.303 28.738 -0.426 0.000 1.169 1057 Q HN 1.418 nan 8.270 nan 0.000 0.475 1058 G N 0.584 109.347 108.800 -0.063 0.000 2.369 1058 G HA2 0.076 4.038 3.960 0.003 0.000 0.295 1058 G HA3 0.076 4.038 3.960 0.003 0.000 0.295 1058 G C -1.744 173.171 174.900 0.026 0.000 1.298 1058 G CA -0.975 44.163 45.100 0.062 0.000 0.940 1058 G HN 0.010 nan 8.290 nan 0.000 0.536 1059 R N -0.465 120.036 120.500 0.001 0.000 2.621 1059 R HA 0.766 5.107 4.340 0.003 0.000 0.292 1059 R C -0.128 176.012 176.300 -0.267 0.000 0.969 1059 R CA 0.167 56.270 56.100 0.004 0.000 0.887 1059 R CB 0.868 31.248 30.300 0.132 0.000 1.180 1059 R HN 1.545 nan 8.270 nan 0.000 0.450 1060 C N -0.214 118.912 119.300 -0.290 0.000 3.213 1060 C HA 0.803 5.264 4.460 0.003 0.000 0.319 1060 C C -0.508 174.490 174.990 0.014 0.000 1.386 1060 C CA -0.740 58.140 59.018 -0.230 0.000 1.494 1060 C CB 1.742 29.203 27.740 -0.465 0.000 1.905 1060 C HN 0.703 nan 8.230 nan 0.000 0.456 1061 T N 1.259 115.886 114.554 0.121 0.000 2.809 1061 T HA 0.612 4.964 4.350 0.003 0.000 0.284 1061 T C -0.849 174.033 174.700 0.303 0.000 0.992 1061 T CA -0.302 61.912 62.100 0.191 0.000 0.957 1061 T CB 1.264 70.237 68.868 0.175 0.000 0.942 1061 T HN 1.400 nan 8.240 nan 0.000 0.439 1062 V N 4.001 124.082 119.914 0.279 0.000 2.447 1062 V HA 0.638 4.759 4.120 0.003 0.000 0.292 1062 V C -1.047 175.173 176.094 0.209 0.000 1.021 1062 V CA -0.466 61.993 62.300 0.265 0.000 0.850 1062 V CB 1.405 33.295 31.823 0.112 0.000 1.005 1062 V HN 0.787 nan 8.190 nan 0.000 0.426 1063 E N 4.281 124.534 120.200 0.089 0.000 2.339 1063 E HA 0.291 4.642 4.350 0.003 0.000 0.262 1063 E C -1.331 175.041 176.600 -0.381 0.000 0.934 1063 E CA -0.671 55.679 56.400 -0.083 0.000 0.802 1063 E CB 2.643 32.245 29.700 -0.164 0.000 1.275 1063 E HN 0.830 nan 8.360 nan 0.000 0.427 1064 Y N 0.372 120.319 120.300 -0.588 0.000 2.465 1064 Y HA 0.077 4.628 4.550 0.003 0.000 0.331 1064 Y C 1.465 177.107 175.900 -0.429 0.000 1.102 1064 Y CA -0.193 57.435 58.100 -0.787 0.000 1.358 1064 Y CB 0.781 39.024 38.460 -0.363 0.000 1.213 1064 Y HN 0.739 nan 8.280 nan 0.000 0.525 1065 G N 4.608 113.399 108.800 -0.016 0.000 2.479 1065 G HA2 -0.224 3.737 3.960 0.003 0.000 0.220 1065 G HA3 -0.224 3.737 3.960 0.003 0.000 0.220 1065 G C 1.118 175.822 174.900 -0.327 0.000 1.115 1065 G CA 0.599 45.665 45.100 -0.057 0.000 0.757 1065 G HN 0.660 nan 8.290 nan 0.000 0.560 1066 E N 0.630 120.364 120.200 -0.776 0.000 2.127 1066 E HA -0.013 4.338 4.350 0.003 0.000 0.191 1066 E C 1.712 177.991 176.600 -0.535 0.000 0.964 1066 E CA 0.503 56.478 56.400 -0.708 0.000 0.832 1066 E CB -0.231 28.900 29.700 -0.949 0.000 0.790 1066 E HN 0.285 nan 8.360 nan 0.000 0.465 1067 D N 1.113 121.162 120.400 -0.585 0.000 2.392 1067 D HA -0.043 4.599 4.640 0.003 0.000 0.228 1067 D C 0.710 176.871 176.300 -0.233 0.000 1.003 1067 D CA 0.125 53.953 54.000 -0.286 0.000 0.917 1067 D CB -0.268 40.445 40.800 -0.145 0.000 0.890 1067 D HN 0.134 nan 8.370 nan 0.000 0.532 1068 L N 0.280 121.326 121.223 -0.296 0.000 2.597 1068 L HA 0.211 4.552 4.340 0.003 0.000 0.271 1068 L C -1.811 174.951 176.870 -0.180 0.000 1.157 1068 L CA -1.149 53.521 54.840 -0.284 0.000 0.928 1068 L CB 0.341 42.172 42.059 -0.379 0.000 1.216 1068 L HN -0.175 nan 8.230 nan 0.000 0.481 1069 P HA 0.023 nan 4.420 nan 0.000 0.261 1069 P C -0.772 176.495 177.300 -0.054 0.000 1.650 1069 P CA 0.367 63.422 63.100 -0.075 0.000 0.846 1069 P CB -0.295 31.377 31.700 -0.047 0.000 1.758 1070 E N -2.490 117.669 120.200 -0.069 0.000 2.310 1070 E HA 0.112 4.464 4.350 0.003 0.000 0.264 1070 E C -1.422 175.144 176.600 -0.056 0.000 1.309 1070 E CA -1.015 55.360 56.400 -0.042 0.000 0.900 1070 E CB -0.185 29.511 29.700 -0.006 0.000 1.496 1070 E HN -0.098 nan 8.360 nan 0.000 0.433 1071 C N 1.507 120.786 119.300 -0.035 0.000 2.632 1071 C HA 0.192 4.654 4.460 0.003 0.000 0.415 1071 C C 2.104 177.067 174.990 -0.045 0.000 1.332 1071 C CA -0.072 58.920 59.018 -0.044 0.000 1.874 1071 C CB -0.273 27.450 27.740 -0.029 0.000 2.596 1071 C HN 0.503 nan 8.230 nan 0.000 0.590 1072 V N 5.549 125.403 119.914 -0.099 0.000 2.392 1072 V HA -0.252 3.869 4.120 0.003 0.000 0.249 1072 V C 2.459 178.502 176.094 -0.084 0.000 1.059 1072 V CA 2.548 64.751 62.300 -0.163 0.000 1.051 1072 V CB -0.960 30.658 31.823 -0.341 0.000 0.658 1072 V HN 1.025 nan 8.190 nan 0.000 0.455 1073 Q N 0.109 119.877 119.800 -0.053 0.000 2.291 1073 Q HA -0.093 4.249 4.340 0.003 0.000 0.205 1073 Q C 1.739 177.738 176.000 -0.002 0.000 0.970 1073 Q CA 2.036 57.830 55.803 -0.015 0.000 0.876 1073 Q CB -0.493 28.234 28.738 -0.018 0.000 0.935 1073 Q HN 0.423 nan 8.270 nan 0.000 0.455 1074 V N -0.098 119.819 119.914 0.004 0.000 2.599 1074 V HA -0.123 3.999 4.120 0.003 0.000 0.245 1074 V C 1.986 178.097 176.094 0.027 0.000 1.046 1074 V CA 1.193 63.500 62.300 0.012 0.000 1.065 1074 V CB -0.820 31.011 31.823 0.014 0.000 0.703 1074 V HN 0.500 nan 8.190 nan 0.000 0.464 1075 Y N 1.604 121.862 120.300 -0.069 0.000 2.165 1075 Y HA -0.284 4.268 4.550 0.003 0.000 0.286 1075 Y C 2.622 178.498 175.900 -0.041 0.000 1.155 1075 Y CA 2.177 60.239 58.100 -0.064 0.000 1.164 1075 Y CB -0.167 38.231 38.460 -0.104 0.000 0.978 1075 Y HN 0.214 nan 8.280 nan 0.000 0.513 1076 S N 0.280 115.775 115.700 -0.341 0.000 2.383 1076 S HA -0.130 4.342 4.470 0.003 0.000 0.227 1076 S C 1.706 176.185 174.600 -0.202 0.000 1.026 1076 S CA 1.385 59.357 58.200 -0.379 0.000 0.981 1076 S CB -0.207 62.920 63.200 -0.121 0.000 0.818 1076 S HN 0.444 nan 8.310 nan 0.000 0.472 1077 M N 0.841 120.386 119.600 -0.092 0.000 2.562 1077 M HA 0.117 4.599 4.480 0.003 0.000 0.257 1077 M C 1.920 178.193 176.300 -0.045 0.000 1.099 1077 M CA 0.498 55.780 55.300 -0.030 0.000 1.099 1077 M CB -1.446 31.154 32.600 -0.000 0.000 1.427 1077 M HN 0.372 nan 8.290 nan 0.000 0.489 1078 G N -0.180 108.566 108.800 -0.089 0.000 3.141 1078 G HA2 0.391 4.353 3.960 0.003 0.000 0.218 1078 G HA3 0.391 4.353 3.960 0.003 0.000 0.218 1078 G C 0.563 175.418 174.900 -0.075 0.000 1.170 1078 G CA 0.260 45.324 45.100 -0.060 0.000 0.769 1078 G HN 0.530 nan 8.290 nan 0.000 0.546 1079 G N -0.527 108.203 108.800 -0.117 0.000 2.690 1079 G HA2 0.611 4.573 3.960 0.003 0.000 0.291 1079 G HA3 0.611 4.573 3.960 0.003 0.000 0.291 1079 G C -1.767 173.093 174.900 -0.067 0.000 1.403 1079 G CA -0.700 44.342 45.100 -0.097 0.000 0.864 1079 G HN -0.084 nan 8.290 nan 0.000 0.480 1080 P HA 0.010 nan 4.420 nan 0.000 0.203 1080 P C -0.121 177.165 177.300 -0.023 0.000 1.211 1080 P CA 0.425 63.521 63.100 -0.005 0.000 0.913 1080 P CB 0.317 32.022 31.700 0.007 0.000 0.745 1081 N N 1.381 120.064 118.700 -0.028 0.000 2.767 1081 N HA 0.209 4.950 4.740 0.003 0.000 0.238 1081 N C -0.102 175.349 175.510 -0.098 0.000 1.083 1081 N CA 0.115 53.139 53.050 -0.043 0.000 0.964 1081 N CB 0.416 38.962 38.487 0.098 0.000 1.252 1081 N HN 0.243 nan 8.380 nan 0.000 0.512 1082 R N 1.446 121.803 120.500 -0.238 0.000 2.561 1082 R HA 0.507 4.848 4.340 0.003 0.000 0.297 1082 R C -0.783 175.332 176.300 -0.310 0.000 0.969 1082 R CA -0.521 55.458 56.100 -0.203 0.000 0.879 1082 R CB 1.393 31.467 30.300 -0.377 0.000 1.178 1082 R HN 0.175 nan 8.270 nan 0.000 0.445 1083 F N 1.637 121.743 119.950 0.260 0.000 2.639 1083 F HA 0.574 5.103 4.527 0.003 0.000 0.339 1083 F C -0.412 175.607 175.800 0.366 0.000 1.071 1083 F CA -0.807 57.347 58.000 0.257 0.000 0.994 1083 F CB 1.420 40.488 39.000 0.113 0.000 1.341 1083 F HN 0.441 nan 8.300 nan 0.000 0.498 1084 Y N 0.296 120.762 120.300 0.278 0.000 2.573 1084 Y HA 0.605 5.156 4.550 0.003 0.000 0.328 1084 Y C -2.050 173.891 175.900 0.068 0.000 1.170 1084 Y CA -2.216 55.926 58.100 0.070 0.000 1.078 1084 Y CB 0.915 39.413 38.460 0.063 0.000 1.341 1084 Y HN 0.525 nan 8.280 nan 0.000 0.459 1085 F N 1.988 121.931 119.950 -0.012 0.000 2.611 1085 F HA 0.852 5.381 4.527 0.003 0.000 0.324 1085 F C -1.042 174.867 175.800 0.181 0.000 1.061 1085 F CA -1.558 56.391 58.000 -0.084 0.000 0.954 1085 F CB 1.679 40.740 39.000 0.102 0.000 1.301 1085 F HN 0.583 nan 8.300 nan 0.000 0.482 1086 L N -0.547 120.970 121.223 0.489 0.000 3.017 1086 L HA 0.412 4.754 4.340 0.003 0.000 0.265 1086 L C -0.344 176.842 176.870 0.526 0.000 1.128 1086 L CA 0.195 55.352 54.840 0.528 0.000 0.984 1086 L CB 0.807 43.075 42.059 0.349 0.000 1.464 1086 L HN 0.686 nan 8.230 nan 0.000 0.556 1087 E N -0.203 120.322 120.200 0.542 0.000 2.393 1087 E HA 0.664 5.016 4.350 0.003 0.000 0.273 1087 E C -1.099 175.830 176.600 0.548 0.000 0.918 1087 E CA -0.675 56.023 56.400 0.497 0.000 0.773 1087 E CB 2.652 32.646 29.700 0.490 0.000 1.275 1087 E HN 0.055 nan 8.360 nan 0.000 0.451 1088 A N 1.360 124.409 122.820 0.382 0.000 2.303 1088 A HA 0.530 4.852 4.320 0.003 0.000 0.317 1088 A C -1.607 176.148 177.584 0.285 0.000 1.149 1088 A CA -0.240 52.008 52.037 0.351 0.000 0.822 1088 A CB 0.454 19.614 19.000 0.266 0.000 1.131 1088 A HN 0.579 nan 8.150 nan 0.000 0.493 1089 Y N 1.461 121.773 120.300 0.019 0.000 2.429 1089 Y HA 0.581 5.132 4.550 0.003 0.000 0.342 1089 Y C -0.551 175.155 175.900 -0.324 0.000 1.004 1089 Y CA -1.145 56.747 58.100 -0.347 0.000 1.075 1089 Y CB 1.785 39.899 38.460 -0.577 0.000 1.214 1089 Y HN 0.723 nan 8.280 nan 0.000 0.455 1090 N N 3.246 121.241 118.700 -1.175 0.000 2.399 1090 N HA 0.536 5.278 4.740 0.003 0.000 0.280 1090 N C 0.058 174.879 175.510 -1.148 0.000 1.008 1090 N CA 0.270 52.819 53.050 -0.834 0.000 0.894 1090 N CB 1.868 40.078 38.487 -0.463 0.000 1.273 1090 N HN 0.817 nan 8.380 nan 0.000 0.486 1091 A N 3.808 126.202 122.820 -0.711 0.000 1.855 1091 A HA -0.131 4.191 4.320 0.003 0.000 0.215 1091 A C 1.965 179.383 177.584 -0.275 0.000 1.191 1091 A CA 1.355 53.142 52.037 -0.417 0.000 0.613 1091 A CB -0.532 18.432 19.000 -0.061 0.000 0.829 1091 A HN 0.746 nan 8.150 nan 0.000 0.442 1092 K N 0.285 120.563 120.400 -0.205 0.000 2.001 1092 K HA -0.187 4.134 4.320 0.003 0.000 0.214 1092 K C 2.003 178.497 176.600 -0.176 0.000 1.050 1092 K CA 2.131 58.329 56.287 -0.147 0.000 0.934 1092 K CB -0.277 32.155 32.500 -0.113 0.000 0.718 1092 K HN 0.585 nan 8.250 nan 0.000 0.443 1093 S N 0.303 115.872 115.700 -0.219 0.000 2.650 1093 S HA 0.072 4.544 4.470 0.003 0.000 0.219 1093 S C 0.037 174.484 174.600 -0.256 0.000 0.960 1093 S CA 0.225 58.303 58.200 -0.203 0.000 0.925 1093 S CB -0.241 62.854 63.200 -0.176 0.000 0.775 1093 S HN 0.316 nan 8.310 nan 0.000 0.525 1094 K N 1.518 121.716 120.400 -0.336 0.000 3.010 1094 K HA -0.191 4.131 4.320 0.003 0.000 0.255 1094 K C 0.112 176.563 176.600 -0.249 0.000 0.929 1094 K CA 0.756 56.864 56.287 -0.300 0.000 0.687 1094 K CB -2.313 29.976 32.500 -0.352 0.000 1.304 1094 K HN 0.798 nan 8.250 nan 0.000 0.479 1095 S N -0.787 114.658 115.700 -0.425 0.000 2.726 1095 S HA 0.729 5.201 4.470 0.003 0.000 0.308 1095 S C -0.424 173.889 174.600 -0.478 0.000 1.115 1095 S CA -1.039 56.992 58.200 -0.281 0.000 0.965 1095 S CB 1.105 64.216 63.200 -0.149 0.000 1.145 1095 S HN 0.145 nan 8.310 nan 0.000 0.532 1096 F N 1.637 121.572 119.950 -0.026 0.000 2.359 1096 F HA 0.349 4.878 4.527 0.003 0.000 0.370 1096 F C 0.796 176.603 175.800 0.011 0.000 1.077 1096 F CA -0.713 57.280 58.000 -0.013 0.000 1.136 1096 F CB 0.823 39.808 39.000 -0.026 0.000 1.387 1096 F HN 0.803 nan 8.300 nan 0.000 0.468 1097 E N 0.187 120.457 120.200 0.116 0.000 2.869 1097 E HA 0.374 4.725 4.350 0.003 0.000 0.258 1097 E C -1.091 175.601 176.600 0.154 0.000 1.354 1097 E CA -0.899 55.563 56.400 0.104 0.000 1.065 1097 E CB 0.664 30.390 29.700 0.044 0.000 1.215 1097 E HN 0.249 nan 8.360 nan 0.000 0.659 1098 D N 0.877 121.346 120.400 0.115 0.000 2.168 1098 D HA 0.277 4.918 4.640 0.003 0.000 0.246 1098 D C -2.465 173.864 176.300 0.048 0.000 1.050 1098 D CA -1.571 52.497 54.000 0.113 0.000 0.857 1098 D CB 1.224 42.083 40.800 0.099 0.000 1.169 1098 D HN 0.176 nan 8.370 nan 0.000 0.453 1099 P HA 0.069 nan 4.420 nan 0.000 0.262 1099 P C -2.351 174.761 177.300 -0.313 0.000 1.182 1099 P CA -0.623 62.319 63.100 -0.264 0.000 0.761 1099 P CB -0.077 31.379 31.700 -0.406 0.000 0.795 1100 P HA -0.022 nan 4.420 nan 0.000 0.270 1100 P C 0.753 177.868 177.300 -0.309 0.000 1.227 1100 P CA 0.128 63.086 63.100 -0.236 0.000 0.788 1100 P CB 0.464 32.073 31.700 -0.152 0.000 0.926 1101 N N 0.233 118.866 118.700 -0.111 0.000 2.331 1101 N HA -0.163 4.579 4.740 0.003 0.000 0.180 1101 N C 1.309 176.768 175.510 -0.086 0.000 1.019 1101 N CA 0.803 53.813 53.050 -0.067 0.000 0.881 1101 N CB -0.524 37.977 38.487 0.023 0.000 0.972 1101 N HN 0.557 nan 8.380 nan 0.000 0.435 1102 H N -2.081 116.927 119.070 -0.105 0.000 2.553 1102 H HA 0.404 4.962 4.556 0.003 0.000 0.269 1102 H C 1.166 176.395 175.328 -0.165 0.000 1.011 1102 H CA 0.662 56.665 56.048 -0.076 0.000 1.150 1102 H CB -0.003 29.747 29.762 -0.020 0.000 1.339 1102 H HN 0.180 nan 8.280 nan 0.000 0.604 1103 A N 0.755 123.112 122.820 -0.771 0.000 2.140 1103 A HA 0.183 4.505 4.320 0.003 0.000 0.209 1103 A C 1.304 178.684 177.584 -0.340 0.000 1.181 1103 A CA -0.466 50.979 52.037 -0.987 0.000 0.824 1103 A CB 0.111 17.958 19.000 -1.922 0.000 0.879 1103 A HN 0.354 nan 8.150 nan 0.000 0.480 1104 R N 1.429 121.824 120.500 -0.176 0.000 2.784 1104 R HA 0.278 4.620 4.340 0.003 0.000 0.266 1104 R C 0.574 176.920 176.300 0.077 0.000 1.044 1104 R CA 0.425 56.557 56.100 0.054 0.000 1.151 1104 R CB 0.133 30.525 30.300 0.153 0.000 1.037 1104 R HN 0.480 nan 8.270 nan 0.000 0.478 1105 S N 1.193 116.958 115.700 0.107 0.000 2.572 1105 S HA 0.023 4.495 4.470 0.003 0.000 0.267 1105 S C -1.562 173.088 174.600 0.083 0.000 1.361 1105 S CA -1.107 57.151 58.200 0.096 0.000 1.009 1105 S CB 0.390 63.634 63.200 0.073 0.000 0.888 1105 S HN 0.405 nan 8.310 nan 0.000 0.553 1106 P HA 0.021 nan 4.420 nan 0.000 0.219 1106 P C 1.048 178.386 177.300 0.064 0.000 1.144 1106 P CA 1.422 64.572 63.100 0.082 0.000 0.806 1106 P CB -0.604 31.150 31.700 0.091 0.000 0.771 1136 L N -1.221 120.021 121.223 0.031 0.000 2.319 1136 L HA 0.706 5.048 4.340 0.003 0.000 0.267 1136 L C -2.416 174.478 176.870 0.039 0.000 1.011 1136 L CA -1.975 52.887 54.840 0.036 0.000 0.818 1136 L CB -0.532 41.552 42.059 0.042 0.000 1.316 1136 L HN 0.405 nan 8.230 nan 0.000 0.432 1137 P HA 0.159 nan 4.420 nan 0.000 0.267 1137 P C -0.517 176.814 177.300 0.051 0.000 1.209 1137 P CA -0.005 63.121 63.100 0.044 0.000 0.763 1137 P CB 0.362 32.090 31.700 0.045 0.000 0.816 1138 K N 2.981 123.411 120.400 0.049 0.000 2.448 1138 K HA 0.121 4.443 4.320 0.003 0.000 0.278 1138 K C 0.280 176.915 176.600 0.059 0.000 1.009 1138 K CA 0.028 56.346 56.287 0.053 0.000 0.995 1138 K CB 0.279 32.812 32.500 0.056 0.000 0.917 1138 K HN 0.486 nan 8.250 nan 0.000 0.481 1139 L N 3.667 124.926 121.223 0.060 0.000 2.367 1139 L HA 0.143 4.484 4.340 0.003 0.000 0.275 1139 L C 0.983 177.901 176.870 0.079 0.000 1.129 1139 L CA -0.135 54.754 54.840 0.081 0.000 0.839 1139 L CB 0.348 42.462 42.059 0.091 0.000 1.133 1139 L HN 0.279 nan 8.230 nan 0.000 0.453 1140 R N 2.510 123.077 120.500 0.112 0.000 2.357 1140 R HA 0.145 4.487 4.340 0.003 0.000 0.330 1140 R C -0.405 176.008 176.300 0.189 0.000 1.102 1140 R CA -0.104 56.058 56.100 0.103 0.000 0.974 1140 R CB 0.017 30.440 30.300 0.204 0.000 1.002 1140 R HN 0.532 nan 8.270 nan 0.000 0.463 1141 T N 3.610 118.232 114.554 0.115 0.000 2.875 1141 T HA 0.324 4.675 4.350 0.003 0.000 0.284 1141 T C -0.611 174.270 174.700 0.301 0.000 0.995 1141 T CA -0.522 61.695 62.100 0.195 0.000 1.060 1141 T CB 1.127 70.073 68.868 0.131 0.000 0.967 1141 T HN 0.227 nan 8.240 nan 0.000 0.476 1142 L N 3.207 124.651 121.223 0.367 0.000 2.342 1142 L HA 0.587 4.929 4.340 0.003 0.000 0.276 1142 L C -1.143 175.871 176.870 0.240 0.000 0.997 1142 L CA -0.565 54.522 54.840 0.411 0.000 0.838 1142 L CB 1.408 43.686 42.059 0.364 0.000 1.224 1142 L HN 0.489 nan 8.230 nan 0.000 0.416 1143 D N 3.931 124.451 120.400 0.200 0.000 2.472 1143 D HA 0.273 4.915 4.640 0.003 0.000 0.234 1143 D C -0.760 175.537 176.300 -0.005 0.000 1.088 1143 D CA -0.123 53.953 54.000 0.127 0.000 0.882 1143 D CB 1.211 42.103 40.800 0.154 0.000 1.037 1143 D HN 0.396 nan 8.370 nan 0.000 0.520 1144 V N 4.303 124.174 119.914 -0.073 0.000 2.732 1144 V HA 0.362 4.484 4.120 0.003 0.000 0.297 1144 V C -0.095 175.797 176.094 -0.336 0.000 1.060 1144 V CA -0.133 61.946 62.300 -0.369 0.000 1.038 1144 V CB -0.054 31.312 31.823 -0.762 0.000 1.003 1144 V HN 0.678 nan 8.190 nan 0.000 0.481 1145 F N 3.063 122.959 119.950 -0.090 0.000 3.058 1145 F HA -0.200 4.328 4.527 0.003 0.000 0.295 1145 F C 1.759 177.515 175.800 -0.074 0.000 0.875 1145 F CA 1.025 58.962 58.000 -0.106 0.000 1.150 1145 F CB -2.527 36.350 39.000 -0.206 0.000 1.175 1145 F HN 0.749 nan 8.300 nan 0.000 0.599 1146 S N -0.529 115.189 115.700 0.030 0.000 2.399 1146 S HA 0.240 4.712 4.470 0.003 0.000 0.231 1146 S C 1.980 176.650 174.600 0.116 0.000 1.022 1146 S CA 1.193 59.380 58.200 -0.021 0.000 0.983 1146 S CB -0.481 62.467 63.200 -0.420 0.000 0.803 1146 S HN 2.036 nan 8.310 nan 0.000 0.480 1147 G N 0.990 109.877 108.800 0.146 0.000 2.564 1147 G HA2 -0.415 3.547 3.960 0.003 0.000 0.273 1147 G HA3 -0.415 3.547 3.960 0.003 0.000 0.273 1147 G C 0.931 176.026 174.900 0.325 0.000 1.242 1147 G CA 0.913 46.153 45.100 0.233 0.000 0.951 1147 G HN 1.534 nan 8.290 nan 0.000 0.564 1148 C N 0.086 119.604 119.300 0.363 0.000 2.539 1148 C HA 0.567 5.028 4.460 0.003 0.000 0.271 1148 C C 1.932 177.304 174.990 0.637 0.000 1.412 1148 C CA 0.440 59.729 59.018 0.451 0.000 1.729 1148 C CB -1.076 26.882 27.740 0.364 0.000 1.739 1148 C HN 2.784 nan 8.230 nan 0.000 0.570 1149 G N -0.009 109.165 108.800 0.625 0.000 2.392 1149 G HA2 0.120 4.082 3.960 0.003 0.000 0.215 1149 G HA3 0.120 4.082 3.960 0.003 0.000 0.215 1149 G C 0.673 175.793 174.900 0.366 0.000 1.097 1149 G CA 0.082 45.590 45.100 0.680 0.000 0.840 1149 G HN 0.901 nan 8.290 nan 0.000 0.492 1150 G N 0.092 109.050 108.800 0.263 0.000 2.496 1150 G HA2 0.178 4.139 3.960 0.003 0.000 0.214 1150 G HA3 0.178 4.139 3.960 0.003 0.000 0.214 1150 G C 1.753 176.576 174.900 -0.128 0.000 1.234 1150 G CA 1.345 46.481 45.100 0.059 0.000 0.807 1150 G HN 1.063 nan 8.290 nan 0.000 0.543 1151 L N 1.354 122.521 121.223 -0.094 0.000 2.079 1151 L HA -0.053 4.288 4.340 0.003 0.000 0.210 1151 L C 2.901 179.543 176.870 -0.379 0.000 1.081 1151 L CA 2.373 57.046 54.840 -0.278 0.000 0.752 1151 L CB -0.709 41.242 42.059 -0.181 0.000 0.896 1151 L HN 0.198 nan 8.230 nan 0.000 0.433 1152 S N -0.582 115.095 115.700 -0.039 0.000 2.368 1152 S HA -0.226 4.246 4.470 0.003 0.000 0.225 1152 S C 1.829 176.463 174.600 0.057 0.000 1.030 1152 S CA 1.303 59.566 58.200 0.105 0.000 0.999 1152 S CB -0.379 63.084 63.200 0.438 0.000 0.844 1152 S HN 0.571 nan 8.310 nan 0.000 0.459 1153 E N 1.511 121.748 120.200 0.062 0.000 2.118 1153 E HA -0.097 4.254 4.350 0.003 0.000 0.195 1153 E C 1.993 178.547 176.600 -0.076 0.000 0.992 1153 E CA 1.507 57.937 56.400 0.049 0.000 0.804 1153 E CB -0.932 28.700 29.700 -0.113 0.000 0.741 1153 E HN 0.428 nan 8.360 nan 0.000 0.458 1154 G N -0.705 107.939 108.800 -0.261 0.000 2.418 1154 G HA2 -0.232 3.729 3.960 0.003 0.000 0.217 1154 G HA3 -0.232 3.729 3.960 0.003 0.000 0.217 1154 G C 1.214 176.026 174.900 -0.146 0.000 1.158 1154 G CA 0.858 45.789 45.100 -0.281 0.000 0.771 1154 G HN 0.278 nan 8.290 nan 0.000 0.545 1155 F N 0.770 120.665 119.950 -0.092 0.000 2.186 1155 F HA 0.093 4.621 4.527 0.002 0.000 0.299 1155 F C 2.554 178.281 175.800 -0.121 0.000 1.090 1155 F CA 0.433 58.355 58.000 -0.131 0.000 1.307 1155 F CB -0.815 38.067 39.000 -0.198 0.000 1.019 1155 F HN 0.195 nan 8.300 nan 0.000 0.489 1156 H N 0.062 119.234 119.070 0.170 0.000 2.521 1156 H HA -0.043 4.515 4.556 0.003 0.000 0.286 1156 H C 1.771 177.130 175.328 0.051 0.000 1.034 1156 H CA 1.052 57.154 56.048 0.089 0.000 1.278 1156 H CB -0.121 29.669 29.762 0.046 0.000 1.386 1156 H HN 0.469 nan 8.280 nan 0.000 0.567 1157 Q N -0.511 119.371 119.800 0.137 0.000 2.297 1157 Q HA 0.163 4.504 4.340 0.003 0.000 0.203 1157 Q C 2.067 178.113 176.000 0.077 0.000 0.931 1157 Q CA 0.590 56.440 55.803 0.079 0.000 0.885 1157 Q CB 0.441 29.199 28.738 0.034 0.000 0.991 1157 Q HN 0.290 nan 8.270 nan 0.000 0.498 1158 A N 0.606 123.484 122.820 0.097 0.000 2.251 1158 A HA 0.276 4.598 4.320 0.003 0.000 0.209 1158 A C 1.321 178.952 177.584 0.077 0.000 1.187 1158 A CA 0.610 52.701 52.037 0.091 0.000 0.823 1158 A CB -0.403 18.672 19.000 0.125 0.000 0.846 1158 A HN 0.380 nan 8.150 nan 0.000 0.486 1159 G N -0.797 108.056 108.800 0.089 0.000 2.371 1159 G HA2 -0.241 3.721 3.960 0.003 0.000 0.299 1159 G HA3 -0.241 3.721 3.960 0.003 0.000 0.299 1159 G C 0.354 175.285 174.900 0.051 0.000 1.014 1159 G CA 0.729 45.875 45.100 0.076 0.000 1.097 1159 G HN 0.415 nan 8.290 nan 0.000 0.512 1160 I N -0.079 120.512 120.570 0.036 0.000 4.124 1160 I HA 0.270 4.442 4.170 0.003 0.000 0.311 1160 I C 1.457 177.546 176.117 -0.046 0.000 1.259 1160 I CA 1.393 62.681 61.300 -0.020 0.000 1.315 1160 I CB 0.605 38.553 38.000 -0.086 0.000 1.223 1160 I HN 0.545 nan 8.210 nan 0.000 0.441 1161 S N -1.566 114.102 115.700 -0.054 0.000 2.806 1161 S HA 0.604 5.075 4.470 0.003 0.000 0.315 1161 S C -0.888 173.720 174.600 0.014 0.000 1.127 1161 S CA -0.580 57.582 58.200 -0.063 0.000 0.918 1161 S CB 2.401 65.507 63.200 -0.157 0.000 1.240 1161 S HN 0.046 nan 8.310 nan 0.000 0.552 1162 D N 0.836 121.271 120.400 0.059 0.000 2.445 1162 D HA 0.237 4.878 4.640 0.003 0.000 0.236 1162 D C -1.136 175.254 176.300 0.149 0.000 1.315 1162 D CA -0.129 53.991 54.000 0.200 0.000 0.924 1162 D CB 1.255 42.106 40.800 0.086 0.000 1.447 1162 D HN 0.588 nan 8.370 nan 0.000 0.532 1163 T N 3.530 118.281 114.554 0.328 0.000 2.765 1163 T HA 0.108 4.460 4.350 0.003 0.000 0.284 1163 T C 1.779 176.500 174.700 0.035 0.000 0.946 1163 T CA 0.303 62.551 62.100 0.247 0.000 1.185 1163 T CB 0.645 69.837 68.868 0.541 0.000 0.887 1163 T HN 0.367 nan 8.240 nan 0.000 0.532 1164 L N 1.861 122.895 121.223 -0.315 0.000 2.609 1164 L HA 0.324 4.666 4.340 0.003 0.000 0.230 1164 L C 0.118 176.568 176.870 -0.700 0.000 1.087 1164 L CA 0.001 54.408 54.840 -0.721 0.000 0.874 1164 L CB 0.422 41.606 42.059 -1.457 0.000 1.114 1164 L HN 0.567 nan 8.230 nan 0.000 0.488 1165 W N 1.078 122.525 121.300 0.244 0.000 2.830 1165 W HA 0.685 5.347 4.660 0.003 0.000 0.335 1165 W C -0.655 175.986 176.519 0.204 0.000 1.043 1165 W CA -1.145 56.378 57.345 0.296 0.000 1.239 1165 W CB 1.327 31.027 29.460 0.401 0.000 1.378 1165 W HN -0.263 nan 8.180 nan 0.000 0.456 1166 A N 4.470 127.466 122.820 0.293 0.000 2.356 1166 A HA 0.859 5.181 4.320 0.003 0.000 0.310 1166 A C -1.028 176.601 177.584 0.075 0.000 1.075 1166 A CA -0.716 51.289 52.037 -0.052 0.000 0.746 1166 A CB 1.072 19.615 19.000 -0.762 0.000 1.221 1166 A HN 0.557 nan 8.150 nan 0.000 0.443 1167 I N 1.970 122.546 120.570 0.010 0.000 2.328 1167 I HA 0.459 4.630 4.170 0.003 0.000 0.287 1167 I C -0.337 175.768 176.117 -0.020 0.000 1.012 1167 I CA -0.261 61.063 61.300 0.039 0.000 1.195 1167 I CB 1.530 39.487 38.000 -0.071 0.000 1.350 1167 I HN 0.733 nan 8.210 nan 0.000 0.464 1168 E N 6.071 126.302 120.200 0.051 0.000 2.274 1168 E HA 0.283 4.635 4.350 0.003 0.000 0.269 1168 E C -0.148 176.542 176.600 0.151 0.000 0.891 1168 E CA -0.494 55.967 56.400 0.100 0.000 0.784 1168 E CB 1.873 31.621 29.700 0.079 0.000 1.225 1168 E HN 0.632 nan 8.360 nan 0.000 0.412 1169 M N 3.290 123.005 119.600 0.191 0.000 2.160 1169 M HA 0.180 4.661 4.480 0.003 0.000 0.264 1169 M C 0.052 176.513 176.300 0.268 0.000 1.073 1169 M CA 0.605 56.026 55.300 0.202 0.000 1.142 1169 M CB 0.156 32.871 32.600 0.193 0.000 1.358 1169 M HN 0.597 nan 8.290 nan 0.000 0.422 1170 W N 3.032 124.380 121.300 0.080 0.000 2.655 1170 W HA -0.039 4.623 4.660 0.002 0.000 0.333 1170 W C 1.202 177.778 176.519 0.094 0.000 1.382 1170 W CA 0.010 57.403 57.345 0.080 0.000 1.398 1170 W CB -0.166 29.338 29.460 0.072 0.000 1.481 1170 W HN 0.335 nan 8.180 nan 0.000 0.526 1171 D N 5.990 126.378 120.400 -0.020 0.000 2.133 1171 D HA -0.244 4.398 4.640 0.003 0.000 0.192 1171 D C -0.681 175.497 176.300 -0.204 0.000 1.001 1171 D CA 2.089 56.036 54.000 -0.089 0.000 0.844 1171 D CB -0.722 40.046 40.800 -0.053 0.000 0.944 1171 D HN 0.223 nan 8.370 nan 0.000 0.447 1172 P HA -0.155 nan 4.420 nan 0.000 0.213 1172 P C 1.363 178.541 177.300 -0.204 0.000 1.176 1172 P CA 2.543 65.346 63.100 -0.493 0.000 0.919 1172 P CB -0.315 30.536 31.700 -1.414 0.000 0.791 1173 A N -0.287 122.409 122.820 -0.206 0.000 1.865 1173 A HA -0.189 4.133 4.320 0.003 0.000 0.217 1173 A C 2.354 180.029 177.584 0.152 0.000 1.191 1173 A CA 2.567 54.694 52.037 0.149 0.000 0.623 1173 A CB -1.760 17.477 19.000 0.395 0.000 0.826 1173 A HN 0.196 nan 8.150 nan 0.000 0.444 1174 A N -0.954 121.927 122.820 0.102 0.000 1.884 1174 A HA -0.284 4.038 4.320 0.003 0.000 0.219 1174 A C 2.130 179.743 177.584 0.047 0.000 1.197 1174 A CA 1.980 54.067 52.037 0.084 0.000 0.637 1174 A CB -0.701 18.328 19.000 0.049 0.000 0.827 1174 A HN 0.563 nan 8.150 nan 0.000 0.450 1175 Q N -0.697 119.053 119.800 -0.084 0.000 2.077 1175 Q HA -0.220 4.122 4.340 0.003 0.000 0.206 1175 Q C 2.493 178.339 176.000 -0.257 0.000 0.989 1175 Q CA 1.802 57.423 55.803 -0.303 0.000 0.853 1175 Q CB -0.839 27.465 28.738 -0.723 0.000 0.907 1175 Q HN 0.693 nan 8.270 nan 0.000 0.418 1176 A N 0.600 123.367 122.820 -0.087 0.000 1.883 1176 A HA -0.208 4.114 4.320 0.003 0.000 0.217 1176 A C 1.987 179.605 177.584 0.056 0.000 1.186 1176 A CA 1.462 53.519 52.037 0.034 0.000 0.624 1176 A CB -0.990 18.120 19.000 0.185 0.000 0.822 1176 A HN 0.360 nan 8.150 nan 0.000 0.444 1177 F N 0.823 120.781 119.950 0.013 0.000 2.091 1177 F HA -0.244 4.285 4.527 0.003 0.000 0.299 1177 F C 2.498 178.266 175.800 -0.054 0.000 1.103 1177 F CA 2.194 60.213 58.000 0.032 0.000 1.228 1177 F CB -0.204 38.838 39.000 0.070 0.000 0.984 1177 F HN 0.139 nan 8.300 nan 0.000 0.477 1178 R N 0.174 120.722 120.500 0.080 0.000 2.127 1178 R HA -0.174 4.167 4.340 0.003 0.000 0.238 1178 R C 2.168 178.361 176.300 -0.179 0.000 1.134 1178 R CA 1.694 57.764 56.100 -0.051 0.000 0.975 1178 R CB -0.803 29.461 30.300 -0.060 0.000 0.865 1178 R HN 0.390 nan 8.270 nan 0.000 0.447 1179 L N 0.781 121.886 121.223 -0.197 0.000 2.362 1179 L HA -0.111 4.231 4.340 0.003 0.000 0.219 1179 L C 1.399 178.092 176.870 -0.295 0.000 1.134 1179 L CA 0.809 55.520 54.840 -0.216 0.000 0.807 1179 L CB -0.245 41.708 42.059 -0.177 0.000 0.927 1179 L HN 0.253 nan 8.230 nan 0.000 0.447 1180 N N -0.554 117.902 118.700 -0.407 0.000 2.332 1180 N HA 0.054 4.796 4.740 0.003 0.000 0.190 1180 N C 0.050 175.257 175.510 -0.504 0.000 1.117 1180 N CA 0.246 52.974 53.050 -0.537 0.000 0.883 1180 N CB 0.513 38.509 38.487 -0.819 0.000 1.089 1180 N HN 0.357 nan 8.380 nan 0.000 0.480 1181 N N 1.730 120.110 118.700 -0.535 0.000 2.791 1181 N HA 0.170 4.912 4.740 0.003 0.000 0.265 1181 N C -2.128 173.225 175.510 -0.261 0.000 1.580 1181 N CA -1.029 51.740 53.050 -0.468 0.000 0.809 1181 N CB 1.962 40.026 38.487 -0.705 0.000 1.178 1181 N HN 0.055 nan 8.380 nan 0.000 0.499 1182 P HA -0.088 nan 4.420 nan 0.000 0.222 1182 P C 1.226 178.460 177.300 -0.111 0.000 1.147 1182 P CA 0.966 63.980 63.100 -0.142 0.000 0.790 1182 P CB 0.294 31.912 31.700 -0.137 0.000 0.780 1183 G N -0.059 108.666 108.800 -0.125 0.000 2.920 1183 G HA2 0.035 3.996 3.960 0.003 0.000 0.208 1183 G HA3 0.035 3.996 3.960 0.003 0.000 0.208 1183 G C 0.339 175.182 174.900 -0.094 0.000 1.159 1183 G CA 0.133 45.172 45.100 -0.103 0.000 0.784 1183 G HN 0.475 nan 8.290 nan 0.000 0.535 1184 S N -0.194 115.465 115.700 -0.068 0.000 2.532 1184 S HA 0.547 5.019 4.470 0.003 0.000 0.299 1184 S C -0.316 174.281 174.600 -0.005 0.000 1.105 1184 S CA -0.533 57.642 58.200 -0.042 0.000 1.018 1184 S CB 1.623 64.850 63.200 0.045 0.000 1.021 1184 S HN 0.224 nan 8.310 nan 0.000 0.483 1185 T N 0.391 114.916 114.554 -0.049 0.000 2.814 1185 T HA 0.493 4.845 4.350 0.003 0.000 0.297 1185 T C 0.009 174.558 174.700 -0.253 0.000 0.956 1185 T CA -0.643 61.365 62.100 -0.153 0.000 1.123 1185 T CB 0.369 69.105 68.868 -0.221 0.000 0.902 1185 T HN 0.579 nan 8.240 nan 0.000 0.528 1186 V N 4.360 124.155 119.914 -0.198 0.000 2.383 1186 V HA 0.302 4.424 4.120 0.003 0.000 0.275 1186 V C -0.249 175.707 176.094 -0.229 0.000 1.036 1186 V CA -0.840 61.374 62.300 -0.142 0.000 0.889 1186 V CB 0.009 31.838 31.823 0.011 0.000 0.985 1186 V HN 0.839 nan 8.190 nan 0.000 0.459 1187 F N 2.666 122.657 119.950 0.069 0.000 2.462 1187 F HA 0.197 4.725 4.527 0.002 0.000 0.354 1187 F C 1.318 177.145 175.800 0.045 0.000 1.192 1187 F CA -0.142 57.897 58.000 0.066 0.000 1.173 1187 F CB 0.714 39.761 39.000 0.078 0.000 1.402 1187 F HN 0.443 nan 8.300 nan 0.000 0.595 1188 T N 3.370 118.014 114.554 0.150 0.000 3.781 1188 T HA 0.351 4.703 4.350 0.003 0.000 0.286 1188 T C -0.312 174.470 174.700 0.137 0.000 1.277 1188 T CA -0.236 61.935 62.100 0.120 0.000 1.136 1188 T CB -1.001 67.909 68.868 0.070 0.000 1.202 1188 T HN 0.666 nan 8.240 nan 0.000 0.884 1189 E N 1.491 121.784 120.200 0.155 0.000 2.377 1189 E HA 0.450 4.802 4.350 0.003 0.000 0.266 1189 E C -1.302 175.376 176.600 0.131 0.000 1.111 1189 E CA -0.996 55.487 56.400 0.139 0.000 0.889 1189 E CB -0.192 29.591 29.700 0.139 0.000 1.644 1189 E HN 0.138 nan 8.360 nan 0.000 0.464 1190 D N -0.622 119.850 120.400 0.120 0.000 2.372 1190 D HA 0.098 4.740 4.640 0.003 0.000 0.243 1190 D C 1.076 177.438 176.300 0.104 0.000 1.121 1190 D CA -0.020 54.053 54.000 0.121 0.000 0.898 1190 D CB 1.117 41.989 40.800 0.120 0.000 1.202 1190 D HN 0.696 nan 8.370 nan 0.000 0.428 1191 C N 2.855 122.210 119.300 0.092 0.000 2.457 1191 C HA 0.059 4.521 4.460 0.003 0.000 0.278 1191 C C 1.939 177.047 174.990 0.196 0.000 1.309 1191 C CA -0.079 58.976 59.018 0.061 0.000 1.735 1191 C CB -0.860 26.784 27.740 -0.160 0.000 1.992 1191 C HN 0.602 nan 8.230 nan 0.000 0.493 1192 N N 1.697 120.498 118.700 0.169 0.000 2.364 1192 N HA -0.019 4.722 4.740 0.003 0.000 0.183 1192 N C 1.678 177.247 175.510 0.098 0.000 1.022 1192 N CA 1.585 54.727 53.050 0.153 0.000 0.883 1192 N CB -0.319 38.245 38.487 0.130 0.000 0.965 1192 N HN 0.670 nan 8.380 nan 0.000 0.438 1193 I N 0.299 120.922 120.570 0.089 0.000 2.162 1193 I HA -0.217 3.954 4.170 0.003 0.000 0.238 1193 I C 1.870 177.998 176.117 0.018 0.000 1.076 1193 I CA 0.634 61.964 61.300 0.051 0.000 1.353 1193 I CB -0.227 37.809 38.000 0.060 0.000 1.063 1193 I HN -0.026 nan 8.210 nan 0.000 0.408 1194 L N 0.210 121.449 121.223 0.025 0.000 1.990 1194 L HA -0.243 4.099 4.340 0.003 0.000 0.213 1194 L C 2.406 179.208 176.870 -0.113 0.000 1.072 1194 L CA 1.721 56.531 54.840 -0.049 0.000 0.755 1194 L CB -1.059 40.954 42.059 -0.077 0.000 0.889 1194 L HN 0.205 nan 8.230 nan 0.000 0.432 1195 L N -0.348 120.803 121.223 -0.121 0.000 2.187 1195 L HA -0.221 4.121 4.340 0.003 0.000 0.213 1195 L C 2.416 179.149 176.870 -0.228 0.000 1.100 1195 L CA 1.688 56.344 54.840 -0.307 0.000 0.765 1195 L CB -0.627 41.210 42.059 -0.371 0.000 0.904 1195 L HN 0.265 nan 8.230 nan 0.000 0.437 1196 K N -1.284 119.042 120.400 -0.122 0.000 2.439 1196 K HA -0.063 4.258 4.320 0.003 0.000 0.197 1196 K C 1.690 178.216 176.600 -0.123 0.000 1.041 1196 K CA 0.665 56.886 56.287 -0.110 0.000 0.970 1196 K CB 0.114 32.584 32.500 -0.049 0.000 0.773 1196 K HN 0.405 nan 8.250 nan 0.000 0.479 1197 L N -0.169 120.978 121.223 -0.126 0.000 2.187 1197 L HA -0.061 4.281 4.340 0.003 0.000 0.197 1197 L C 2.330 179.110 176.870 -0.149 0.000 1.090 1197 L CA 0.495 55.269 54.840 -0.110 0.000 0.781 1197 L CB -0.730 41.281 42.059 -0.080 0.000 0.956 1197 L HN -0.003 nan 8.230 nan 0.000 0.463 1198 V N -2.350 117.458 119.914 -0.177 0.000 2.380 1198 V HA -0.335 3.787 4.120 0.003 0.000 0.251 1198 V C 2.360 178.265 176.094 -0.316 0.000 1.063 1198 V CA 1.872 64.064 62.300 -0.180 0.000 1.055 1198 V CB -0.821 30.930 31.823 -0.121 0.000 0.657 1198 V HN 0.398 nan 8.190 nan 0.000 0.455 1199 M N 0.665 119.966 119.600 -0.498 0.000 2.213 1199 M HA 0.010 4.492 4.480 0.003 0.000 0.263 1199 M C 2.212 178.318 176.300 -0.323 0.000 1.062 1199 M CA 1.981 56.900 55.300 -0.635 0.000 1.105 1199 M CB -0.478 31.780 32.600 -0.570 0.000 1.385 1199 M HN 0.551 nan 8.290 nan 0.000 0.417 1200 A N 0.272 122.961 122.820 -0.218 0.000 2.278 1200 A HA 0.391 4.713 4.320 0.003 0.000 0.212 1200 A C 1.059 178.580 177.584 -0.106 0.000 1.213 1200 A CA 0.570 52.526 52.037 -0.136 0.000 0.840 1200 A CB -0.869 18.069 19.000 -0.104 0.000 0.866 1200 A HN 0.592 nan 8.150 nan 0.000 0.489 1201 G N 0.013 108.742 108.800 -0.118 0.000 3.144 1201 G HA2 0.004 3.966 3.960 0.003 0.000 0.247 1201 G HA3 0.004 3.966 3.960 0.003 0.000 0.247 1201 G C -0.721 174.145 174.900 -0.058 0.000 0.899 1201 G CA 0.142 45.198 45.100 -0.074 0.000 0.822 1201 G HN 0.401 nan 8.290 nan 0.000 0.362 1202 E N 0.256 120.424 120.200 -0.054 0.000 2.430 1202 E HA 0.615 4.967 4.350 0.003 0.000 0.279 1202 E C 1.066 177.649 176.600 -0.027 0.000 1.003 1202 E CA -0.048 56.330 56.400 -0.037 0.000 0.801 1202 E CB 1.178 30.854 29.700 -0.039 0.000 1.313 1202 E HN 0.710 nan 8.360 nan 0.000 0.459 1203 T N -3.134 111.415 114.554 -0.007 0.000 3.038 1203 T HA 0.171 4.522 4.350 0.003 0.000 0.244 1203 T C 0.885 175.605 174.700 0.034 0.000 1.016 1203 T CA 0.583 62.688 62.100 0.008 0.000 1.098 1203 T CB 0.472 69.349 68.868 0.014 0.000 0.954 1203 T HN 0.306 nan 8.240 nan 0.000 0.469 1204 T N 2.078 116.656 114.554 0.040 0.000 2.865 1204 T HA 0.550 4.901 4.350 0.003 0.000 0.294 1204 T C -1.564 173.179 174.700 0.070 0.000 1.119 1204 T CA -0.915 61.231 62.100 0.076 0.000 1.007 1204 T CB 1.737 70.650 68.868 0.076 0.000 1.225 1204 T HN 0.489 nan 8.240 nan 0.000 0.515 1205 N N 0.648 119.414 118.700 0.110 0.000 2.563 1205 N HA 0.315 5.056 4.740 0.003 0.000 0.288 1205 N C 1.264 176.824 175.510 0.083 0.000 1.246 1205 N CA -0.267 52.843 53.050 0.099 0.000 0.946 1205 N CB 0.807 39.388 38.487 0.157 0.000 1.213 1205 N HN 0.501 nan 8.380 nan 0.000 0.578 1206 S N -0.274 115.470 115.700 0.073 0.000 2.369 1206 S HA -0.222 4.250 4.470 0.003 0.000 0.225 1206 S C 1.732 176.367 174.600 0.059 0.000 1.043 1206 S CA 1.182 59.416 58.200 0.058 0.000 1.074 1206 S CB -0.366 62.866 63.200 0.054 0.000 0.962 1206 S HN 0.554 nan 8.310 nan 0.000 0.433 1207 R N 1.091 121.633 120.500 0.070 0.000 2.127 1207 R HA -0.066 4.276 4.340 0.003 0.000 0.238 1207 R C 1.175 177.507 176.300 0.054 0.000 1.134 1207 R CA 1.265 57.399 56.100 0.057 0.000 0.975 1207 R CB -1.311 29.024 30.300 0.059 0.000 0.865 1207 R HN 0.711 nan 8.270 nan 0.000 0.447 1208 G N 1.276 110.120 108.800 0.073 0.000 2.842 1208 G HA2 -0.176 3.786 3.960 0.003 0.000 0.242 1208 G HA3 -0.176 3.786 3.960 0.003 0.000 0.242 1208 G C -0.746 174.202 174.900 0.081 0.000 1.135 1208 G CA -0.124 45.017 45.100 0.069 0.000 1.048 1208 G HN 0.383 nan 8.290 nan 0.000 0.530 1209 Q N 0.146 120.025 119.800 0.132 0.000 2.394 1209 Q HA 0.539 4.880 4.340 0.003 0.000 0.273 1209 Q C 0.425 176.576 176.000 0.252 0.000 1.089 1209 Q CA -1.292 54.606 55.803 0.159 0.000 0.812 1209 Q CB 2.003 30.807 28.738 0.110 0.000 1.353 1209 Q HN 0.555 nan 8.270 nan 0.000 0.438 1210 R N 2.467 123.111 120.500 0.240 0.000 2.404 1210 R HA 0.179 4.521 4.340 0.003 0.000 0.315 1210 R C -0.842 175.666 176.300 0.345 0.000 1.032 1210 R CA 0.098 56.344 56.100 0.243 0.000 0.992 1210 R CB -0.382 30.053 30.300 0.225 0.000 0.959 1210 R HN 0.507 nan 8.270 nan 0.000 0.428 1211 L N 4.823 126.144 121.223 0.164 0.000 2.350 1211 L HA 0.355 4.696 4.340 0.003 0.000 0.275 1211 L C -1.887 174.879 176.870 -0.172 0.000 1.099 1211 L CA -2.433 52.389 54.840 -0.029 0.000 0.808 1211 L CB 0.989 42.981 42.059 -0.112 0.000 1.149 1211 L HN 0.296 nan 8.230 nan 0.000 0.442 1212 P HA 0.085 nan 4.420 nan 0.000 0.267 1212 P C -0.799 176.348 177.300 -0.254 0.000 1.205 1212 P CA -0.021 62.735 63.100 -0.573 0.000 0.765 1212 P CB 0.613 31.854 31.700 -0.765 0.000 0.828 1213 Q N 1.975 121.600 119.800 -0.292 0.000 2.359 1213 Q HA 0.288 4.629 4.340 0.003 0.000 0.275 1213 Q C -0.079 175.628 176.000 -0.489 0.000 1.082 1213 Q CA -1.030 54.577 55.803 -0.327 0.000 0.849 1213 Q CB 1.336 29.958 28.738 -0.193 0.000 1.377 1213 Q HN 0.273 nan 8.270 nan 0.000 0.452 1214 K N 0.636 120.653 120.400 -0.639 0.000 2.477 1214 K HA -0.066 4.256 4.320 0.003 0.000 0.275 1214 K C 0.905 177.287 176.600 -0.363 0.000 1.054 1214 K CA 1.487 57.370 56.287 -0.673 0.000 1.135 1214 K CB -0.303 31.823 32.500 -0.625 0.000 0.854 1214 K HN 0.963 nan 8.250 nan 0.000 0.484 1215 G N 3.818 112.451 108.800 -0.278 0.000 2.284 1215 G HA2 -0.283 3.679 3.960 0.003 0.000 0.230 1215 G HA3 -0.283 3.679 3.960 0.003 0.000 0.230 1215 G C 0.822 175.717 174.900 -0.009 0.000 1.021 1215 G CA 0.300 45.332 45.100 -0.113 0.000 0.619 1215 G HN 0.635 nan 8.290 nan 0.000 0.510 1216 D N 0.472 120.855 120.400 -0.029 0.000 2.117 1216 D HA 0.009 4.650 4.640 0.003 0.000 0.197 1216 D C 1.457 177.932 176.300 0.291 0.000 0.987 1216 D CA 1.353 55.415 54.000 0.104 0.000 0.829 1216 D CB -0.056 40.708 40.800 -0.061 0.000 0.961 1216 D HN 0.383 nan 8.370 nan 0.000 0.460 1217 V N 1.879 121.933 119.914 0.233 0.000 2.432 1217 V HA 0.030 4.152 4.120 0.003 0.000 0.271 1217 V C 1.252 177.523 176.094 0.296 0.000 1.046 1217 V CA 0.112 62.652 62.300 0.400 0.000 0.945 1217 V CB 1.558 33.614 31.823 0.388 0.000 0.992 1217 V HN -0.003 nan 8.190 nan 0.000 0.471 1218 E N 3.563 123.936 120.200 0.289 0.000 2.127 1218 E HA 0.160 4.512 4.350 0.003 0.000 0.191 1218 E C 0.599 177.318 176.600 0.199 0.000 0.964 1218 E CA 0.384 56.902 56.400 0.197 0.000 0.832 1218 E CB 0.576 30.376 29.700 0.166 0.000 0.790 1218 E HN 0.668 nan 8.360 nan 0.000 0.465 1219 M N 1.337 121.070 119.600 0.222 0.000 2.465 1219 M HA 0.416 4.897 4.480 0.003 0.000 0.316 1219 M C -1.970 174.454 176.300 0.206 0.000 1.121 1219 M CA -0.901 54.526 55.300 0.212 0.000 0.934 1219 M CB 1.967 34.655 32.600 0.146 0.000 1.692 1219 M HN -0.009 nan 8.290 nan 0.000 0.444 1220 L N 6.254 127.596 121.223 0.197 0.000 2.385 1220 L HA 0.874 5.216 4.340 0.003 0.000 0.273 1220 L C -1.363 175.583 176.870 0.126 0.000 0.990 1220 L CA -0.023 54.911 54.840 0.156 0.000 0.821 1220 L CB 1.644 43.782 42.059 0.133 0.000 1.279 1220 L HN 1.046 nan 8.230 nan 0.000 0.412 1221 C N 1.561 120.988 119.300 0.212 0.000 3.288 1221 C HA 1.072 5.533 4.460 0.003 0.000 0.318 1221 C C -0.127 175.084 174.990 0.369 0.000 1.356 1221 C CA -0.071 59.111 59.018 0.273 0.000 1.359 1221 C CB 1.148 29.067 27.740 0.298 0.000 1.688 1221 C HN 1.487 nan 8.230 nan 0.000 0.467 1222 G N -0.699 108.217 108.800 0.193 0.000 2.339 1222 G HA2 0.573 4.534 3.960 0.003 0.000 0.302 1222 G HA3 0.573 4.534 3.960 0.003 0.000 0.302 1222 G C -0.732 174.013 174.900 -0.258 0.000 1.425 1222 G CA 0.086 45.180 45.100 -0.011 0.000 0.899 1222 G HN 2.085 nan 8.290 nan 0.000 0.619 1223 G N 0.672 109.363 108.800 -0.182 0.000 2.955 1223 G HA2 0.639 4.601 3.960 0.003 0.000 0.336 1223 G HA3 0.639 4.601 3.960 0.003 0.000 0.336 1223 G C -2.649 171.903 174.900 -0.580 0.000 1.264 1223 G CA -1.255 43.646 45.100 -0.331 0.000 1.096 1223 G HN 0.411 nan 8.290 nan 0.000 0.486 1224 P HA 0.128 nan 4.420 nan 0.000 0.265 1224 P C -2.185 174.664 177.300 -0.752 0.000 1.222 1224 P CA -0.869 61.517 63.100 -1.190 0.000 0.767 1224 P CB 0.623 31.959 31.700 -0.608 0.000 0.801 1225 P HA -0.051 nan 4.420 nan 0.000 0.265 1225 P C -0.407 176.642 177.300 -0.419 0.000 1.222 1225 P CA 0.132 62.933 63.100 -0.498 0.000 0.767 1225 P CB 0.360 31.777 31.700 -0.471 0.000 0.801 1226 C N 5.430 124.505 119.300 -0.374 0.000 2.158 1226 C HA 0.133 4.594 4.460 0.003 0.000 0.350 1226 C C 1.760 176.374 174.990 -0.627 0.000 1.064 1226 C CA -0.070 58.643 59.018 -0.510 0.000 1.507 1226 C CB -1.569 25.927 27.740 -0.405 0.000 1.934 1226 C HN 0.618 nan 8.230 nan 0.000 0.479 1227 Q N 3.058 122.505 119.800 -0.588 0.000 2.525 1227 Q HA 0.174 4.515 4.340 0.003 0.000 0.203 1227 Q C 1.927 177.719 176.000 -0.348 0.000 0.947 1227 Q CA 0.698 56.214 55.803 -0.479 0.000 0.881 1227 Q CB -0.566 27.864 28.738 -0.514 0.000 1.049 1227 Q HN 0.569 nan 8.270 nan 0.000 0.600 1228 G N 1.354 110.078 108.800 -0.127 0.000 2.780 1228 G HA2 -0.019 3.942 3.960 0.003 0.000 0.205 1228 G HA3 -0.019 3.942 3.960 0.003 0.000 0.205 1228 G C -0.078 175.097 174.900 0.457 0.000 1.158 1228 G CA 0.668 45.958 45.100 0.317 0.000 0.812 1228 G HN 0.523 nan 8.290 nan 0.000 0.521 1229 F N -3.703 116.201 119.950 -0.078 0.000 2.719 1229 F HA 0.328 4.856 4.527 0.002 0.000 0.423 1229 F C 0.374 175.930 175.800 -0.407 0.000 1.246 1229 F CA -1.317 56.583 58.000 -0.166 0.000 1.085 1229 F CB -0.621 38.324 39.000 -0.092 0.000 2.356 1229 F HN -0.146 nan 8.300 nan 0.000 0.469 1230 S N 0.878 116.243 115.700 -0.559 0.000 2.803 1230 S HA 0.270 4.742 4.470 0.003 0.000 0.226 1230 S C 1.551 175.891 174.600 -0.434 0.000 0.962 1230 S CA 0.289 58.023 58.200 -0.777 0.000 0.968 1230 S CB -0.545 62.374 63.200 -0.467 0.000 0.786 1230 S HN 0.841 nan 8.310 nan 0.000 0.527 1231 G N 1.014 109.653 108.800 -0.269 0.000 2.418 1231 G HA2 0.271 4.232 3.960 0.003 0.000 0.276 1231 G HA3 0.271 4.232 3.960 0.003 0.000 0.276 1231 G C 0.505 175.422 174.900 0.028 0.000 1.442 1231 G CA 0.158 45.198 45.100 -0.099 0.000 1.066 1231 G HN 0.350 nan 8.290 nan 0.000 0.553 1232 M N -1.231 118.370 119.600 0.002 0.000 1.961 1232 M HA 0.123 4.605 4.480 0.003 0.000 0.415 1232 M C 0.456 176.737 176.300 -0.033 0.000 0.843 1232 M CA -0.243 55.074 55.300 0.028 0.000 1.157 1232 M CB -0.616 32.011 32.600 0.044 0.000 2.358 1232 M HN 0.631 nan 8.290 nan 0.000 0.818 1233 N N 1.080 119.747 118.700 -0.054 0.000 2.408 1233 N HA 0.266 5.007 4.740 0.003 0.000 0.260 1233 N C -0.184 175.280 175.510 -0.076 0.000 1.242 1233 N CA -0.384 52.638 53.050 -0.047 0.000 0.959 1233 N CB 1.250 39.720 38.487 -0.028 0.000 1.201 1233 N HN 0.123 nan 8.380 nan 0.000 0.511 1234 R N 0.916 121.400 120.500 -0.027 0.000 2.697 1234 R HA -0.039 4.302 4.340 0.003 0.000 0.265 1234 R C -0.209 176.114 176.300 0.038 0.000 1.009 1234 R CA 0.410 56.516 56.100 0.011 0.000 1.099 1234 R CB 0.311 30.635 30.300 0.041 0.000 0.965 1234 R HN 0.430 nan 8.270 nan 0.000 0.428 1235 F N 2.251 122.211 119.950 0.016 0.000 2.410 1235 F HA 0.086 4.615 4.527 0.003 0.000 0.334 1235 F C 0.949 176.775 175.800 0.043 0.000 1.134 1235 F CA -0.012 58.009 58.000 0.035 0.000 1.227 1235 F CB 0.746 39.778 39.000 0.053 0.000 1.194 1235 F HN 0.619 nan 8.300 nan 0.000 0.571 1236 N N 0.296 119.254 118.700 0.430 0.000 2.329 1236 N HA 0.096 4.837 4.740 0.003 0.000 0.282 1236 N C 0.048 175.669 175.510 0.185 0.000 1.198 1236 N CA -0.173 53.002 53.050 0.208 0.000 0.790 1236 N CB 1.577 40.152 38.487 0.147 0.000 1.579 1236 N HN 0.596 nan 8.380 nan 0.000 0.475 1237 S N 1.086 116.826 115.700 0.067 0.000 2.399 1237 S HA -0.339 4.132 4.470 0.003 0.000 0.235 1237 S C 1.677 176.352 174.600 0.125 0.000 1.063 1237 S CA 1.412 59.636 58.200 0.042 0.000 1.070 1237 S CB -0.460 62.740 63.200 0.000 0.000 0.904 1237 S HN 0.736 nan 8.310 nan 0.000 0.456 1238 R N 0.494 121.069 120.500 0.124 0.000 2.062 1238 R HA -0.086 4.256 4.340 0.003 0.000 0.231 1238 R C 2.722 179.127 176.300 0.174 0.000 1.136 1238 R CA 1.908 58.083 56.100 0.125 0.000 0.948 1238 R CB -1.010 29.349 30.300 0.099 0.000 0.845 1238 R HN 0.551 nan 8.270 nan 0.000 0.430 1239 T N -0.456 114.238 114.554 0.233 0.000 2.857 1239 T HA -0.177 4.175 4.350 0.003 0.000 0.266 1239 T C 1.665 176.597 174.700 0.386 0.000 1.048 1239 T CA 1.262 63.547 62.100 0.308 0.000 1.139 1239 T CB -0.405 68.660 68.868 0.329 0.000 0.874 1239 T HN 0.439 nan 8.240 nan 0.000 0.455 1240 Y N 1.431 121.835 120.300 0.172 0.000 2.165 1240 Y HA -0.113 4.439 4.550 0.003 0.000 0.286 1240 Y C 2.798 178.656 175.900 -0.070 0.000 1.155 1240 Y CA 2.016 59.953 58.100 -0.271 0.000 1.164 1240 Y CB -0.882 37.322 38.460 -0.426 0.000 0.978 1240 Y HN 0.254 nan 8.280 nan 0.000 0.513 1241 S N -0.311 115.522 115.700 0.221 0.000 2.382 1241 S HA -0.226 4.245 4.470 0.003 0.000 0.228 1241 S C 2.039 176.660 174.600 0.036 0.000 1.027 1241 S CA 1.629 59.902 58.200 0.123 0.000 0.991 1241 S CB -0.464 62.817 63.200 0.136 0.000 0.823 1241 S HN 0.450 nan 8.310 nan 0.000 0.469 1242 K N 0.062 120.522 120.400 0.099 0.000 2.442 1242 K HA 0.049 4.370 4.320 0.003 0.000 0.198 1242 K C 1.413 178.087 176.600 0.123 0.000 1.042 1242 K CA 0.826 57.194 56.287 0.134 0.000 0.958 1242 K CB -0.470 32.153 32.500 0.206 0.000 0.766 1242 K HN 0.494 nan 8.250 nan 0.000 0.474 1243 F N 0.741 120.561 119.950 -0.217 0.000 2.220 1243 F HA 0.126 4.655 4.527 0.003 0.000 0.290 1243 F C 1.188 176.782 175.800 -0.344 0.000 1.080 1243 F CA 0.837 58.555 58.000 -0.470 0.000 1.318 1243 F CB 0.067 38.640 39.000 -0.712 0.000 1.063 1243 F HN -0.165 nan 8.300 nan 0.000 0.498 1244 K N 0.855 120.913 120.400 -0.570 0.000 2.585 1244 K HA -0.067 4.255 4.320 0.003 0.000 0.194 1244 K C 0.191 176.615 176.600 -0.293 0.000 1.037 1244 K CA 0.612 56.580 56.287 -0.532 0.000 0.964 1244 K CB -0.633 31.668 32.500 -0.332 0.000 0.787 1244 K HN 0.431 nan 8.250 nan 0.000 0.488 1245 N N 0.392 118.981 118.700 -0.185 0.000 2.241 1245 N HA -0.003 4.739 4.740 0.003 0.000 0.238 1245 N C 0.213 175.755 175.510 0.053 0.000 1.244 1245 N CA -0.003 53.023 53.050 -0.041 0.000 0.880 1245 N CB 0.825 39.319 38.487 0.011 0.000 1.179 1245 N HN 0.094 nan 8.380 nan 0.000 0.513 1246 S N -0.106 115.594 115.700 0.001 0.000 2.549 1246 S HA 0.317 4.788 4.470 0.003 0.000 0.260 1246 S C 1.114 175.808 174.600 0.156 0.000 1.217 1246 S CA -0.246 58.060 58.200 0.176 0.000 1.001 1246 S CB 0.370 63.756 63.200 0.310 0.000 1.059 1246 S HN 0.118 nan 8.310 nan 0.000 0.537 1247 L N 0.161 121.491 121.223 0.178 0.000 2.693 1247 L HA 0.245 4.587 4.340 0.003 0.000 0.235 1247 L C 1.515 178.526 176.870 0.235 0.000 1.127 1247 L CA -0.069 54.882 54.840 0.185 0.000 0.914 1247 L CB 0.157 42.239 42.059 0.037 0.000 1.193 1247 L HN 0.473 nan 8.230 nan 0.000 0.502 1248 V N -0.337 119.725 119.914 0.246 0.000 2.426 1248 V HA -0.146 3.975 4.120 0.003 0.000 0.242 1248 V C 2.418 178.702 176.094 0.317 0.000 1.036 1248 V CA 1.602 64.104 62.300 0.338 0.000 1.044 1248 V CB 0.341 32.481 31.823 0.528 0.000 0.688 1248 V HN 0.379 nan 8.190 nan 0.000 0.462 1249 V N -1.994 117.983 119.914 0.104 0.000 2.427 1249 V HA -0.163 3.959 4.120 0.003 0.000 0.248 1249 V C 2.265 178.449 176.094 0.150 0.000 1.051 1249 V CA 2.196 64.517 62.300 0.035 0.000 1.048 1249 V CB -1.125 30.583 31.823 -0.192 0.000 0.666 1249 V HN 0.454 nan 8.190 nan 0.000 0.456 1250 S N 0.402 116.221 115.700 0.199 0.000 2.400 1250 S HA -0.120 4.351 4.470 0.003 0.000 0.232 1250 S C 1.644 176.469 174.600 0.376 0.000 1.025 1250 S CA 1.992 60.353 58.200 0.269 0.000 0.993 1250 S CB -0.624 62.738 63.200 0.270 0.000 0.808 1250 S HN 0.702 nan 8.310 nan 0.000 0.478 1251 F N 2.035 122.120 119.950 0.226 0.000 2.206 1251 F HA 0.088 4.616 4.527 0.002 0.000 0.298 1251 F C 1.726 177.697 175.800 0.285 0.000 1.090 1251 F CA 0.789 58.928 58.000 0.230 0.000 1.323 1251 F CB -0.389 38.832 39.000 0.368 0.000 1.028 1251 F HN 0.096 nan 8.300 nan 0.000 0.492 1252 L N -1.006 120.378 121.223 0.268 0.000 2.093 1252 L HA -0.208 4.133 4.340 0.003 0.000 0.208 1252 L C 2.489 179.379 176.870 0.034 0.000 1.085 1252 L CA 1.314 56.185 54.840 0.053 0.000 0.755 1252 L CB -0.867 41.243 42.059 0.084 0.000 0.904 1252 L HN 0.015 nan 8.230 nan 0.000 0.435 1253 S N -1.168 114.607 115.700 0.126 0.000 2.368 1253 S HA -0.192 4.279 4.470 0.003 0.000 0.225 1253 S C 1.882 176.570 174.600 0.148 0.000 1.030 1253 S CA 1.204 59.474 58.200 0.117 0.000 0.999 1253 S CB -0.376 62.898 63.200 0.123 0.000 0.844 1253 S HN 0.345 nan 8.310 nan 0.000 0.459 1254 Y N 0.309 120.607 120.300 -0.005 0.000 2.224 1254 Y HA -0.204 4.347 4.550 0.002 0.000 0.289 1254 Y C 2.883 178.761 175.900 -0.037 0.000 1.146 1254 Y CA 1.006 59.081 58.100 -0.042 0.000 1.182 1254 Y CB -0.331 38.008 38.460 -0.202 0.000 0.983 1254 Y HN 0.380 nan 8.280 nan 0.000 0.524 1255 C N 0.090 119.400 119.300 0.017 0.000 2.472 1255 C HA -0.102 4.360 4.460 0.003 0.000 0.278 1255 C C 2.189 177.195 174.990 0.027 0.000 1.447 1255 C CA 1.495 60.467 59.018 -0.078 0.000 1.773 1255 C CB -1.294 26.139 27.740 -0.512 0.000 1.793 1255 C HN 0.604 nan 8.230 nan 0.000 0.544 1256 D N -1.464 118.971 120.400 0.060 0.000 2.269 1256 D HA -0.057 4.584 4.640 0.003 0.000 0.220 1256 D C 1.507 177.828 176.300 0.034 0.000 0.962 1256 D CA 0.540 54.568 54.000 0.046 0.000 0.884 1256 D CB -0.387 40.439 40.800 0.044 0.000 1.023 1256 D HN 0.596 nan 8.370 nan 0.000 0.484 1257 Y N -0.681 119.608 120.300 -0.018 0.000 2.471 1257 Y HA 0.095 4.647 4.550 0.003 0.000 0.321 1257 Y C -0.058 175.732 175.900 -0.182 0.000 1.195 1257 Y CA 0.506 58.538 58.100 -0.113 0.000 1.272 1257 Y CB -0.100 38.279 38.460 -0.135 0.000 1.097 1257 Y HN 0.062 nan 8.280 nan 0.000 0.507 1258 Y N -1.713 118.440 120.300 -0.245 0.000 2.491 1258 Y HA 0.210 4.761 4.550 0.002 0.000 0.276 1258 Y C 0.418 176.204 175.900 -0.190 0.000 1.041 1258 Y CA -0.702 57.255 58.100 -0.239 0.000 1.191 1258 Y CB 0.294 38.694 38.460 -0.100 0.000 1.365 1258 Y HN -0.241 nan 8.280 nan 0.000 0.566 1259 R N 0.973 121.444 120.500 -0.048 0.000 2.916 1259 R HA -0.171 4.170 4.340 0.003 0.000 0.232 1259 R C -2.821 173.559 176.300 0.133 0.000 0.833 1259 R CA 0.426 56.444 56.100 -0.136 0.000 0.566 1259 R CB -2.294 27.453 30.300 -0.922 0.000 1.058 1259 R HN 0.311 nan 8.270 nan 0.000 0.498 1260 P HA 0.055 nan 4.420 nan 0.000 0.272 1260 P C 0.789 178.270 177.300 0.301 0.000 1.230 1260 P CA -0.303 62.960 63.100 0.273 0.000 0.788 1260 P CB 0.637 32.501 31.700 0.274 0.000 0.949 1261 R N 0.167 120.735 120.500 0.113 0.000 2.073 1261 R HA -0.026 4.316 4.340 0.003 0.000 0.234 1261 R C 0.242 176.360 176.300 -0.304 0.000 1.134 1261 R CA 1.495 57.490 56.100 -0.176 0.000 0.952 1261 R CB -0.269 29.786 30.300 -0.408 0.000 0.850 1261 R HN 0.466 nan 8.270 nan 0.000 0.433 1262 F N -0.522 119.566 119.950 0.231 0.000 2.507 1262 F HA 0.286 4.815 4.527 0.003 0.000 0.328 1262 F C -0.613 175.314 175.800 0.212 0.000 1.136 1262 F CA -1.491 56.625 58.000 0.193 0.000 0.930 1262 F CB 1.432 40.471 39.000 0.065 0.000 1.166 1262 F HN -0.177 nan 8.300 nan 0.000 0.436 1263 F N 5.812 125.907 119.950 0.242 0.000 2.467 1263 F HA 0.770 5.298 4.527 0.002 0.000 0.336 1263 F C -1.964 173.927 175.800 0.151 0.000 1.123 1263 F CA -1.138 56.923 58.000 0.101 0.000 0.964 1263 F CB 1.192 40.129 39.000 -0.106 0.000 1.136 1263 F HN 0.322 nan 8.300 nan 0.000 0.447 1264 L N 7.945 128.869 121.223 -0.498 0.000 2.356 1264 L HA 0.646 4.988 4.340 0.003 0.000 0.277 1264 L C -2.115 174.515 176.870 -0.400 0.000 0.996 1264 L CA -0.883 53.768 54.840 -0.315 0.000 0.822 1264 L CB 1.684 43.754 42.059 0.018 0.000 1.256 1264 L HN 0.690 nan 8.230 nan 0.000 0.413 1265 L N 4.833 125.901 121.223 -0.259 0.000 2.366 1265 L HA 0.592 4.933 4.340 0.003 0.000 0.266 1265 L C -0.649 176.146 176.870 -0.124 0.000 1.010 1265 L CA -0.317 54.451 54.840 -0.121 0.000 0.879 1265 L CB 0.928 43.045 42.059 0.097 0.000 1.228 1265 L HN 0.781 nan 8.230 nan 0.000 0.439 1266 E N 3.728 123.834 120.200 -0.158 0.000 2.283 1266 E HA 0.664 5.016 4.350 0.003 0.000 0.271 1266 E C -0.780 175.668 176.600 -0.254 0.000 1.031 1266 E CA -0.423 55.887 56.400 -0.150 0.000 0.868 1266 E CB 1.302 30.938 29.700 -0.107 0.000 1.094 1266 E HN 0.573 nan 8.360 nan 0.000 0.401 1267 N N 0.365 118.928 118.700 -0.227 0.000 3.356 1267 N HA 0.152 4.894 4.740 0.003 0.000 0.246 1267 N C -1.076 174.363 175.510 -0.118 0.000 1.480 1267 N CA -0.097 52.803 53.050 -0.249 0.000 0.877 1267 N CB 1.408 39.590 38.487 -0.509 0.000 1.431 1267 N HN 0.534 nan 8.380 nan 0.000 0.500 1268 V N 0.676 120.560 119.914 -0.050 0.000 3.332 1268 V HA 0.189 4.311 4.120 0.003 0.000 0.305 1268 V C 1.953 178.047 176.094 0.000 0.000 1.114 1268 V CA 0.067 62.364 62.300 -0.005 0.000 1.194 1268 V CB 0.636 32.492 31.823 0.054 0.000 1.027 1268 V HN 0.787 nan 8.190 nan 0.000 0.492 1269 R N 1.852 122.329 120.500 -0.038 0.000 2.073 1269 R HA -0.106 4.235 4.340 0.003 0.000 0.234 1269 R C 1.649 177.868 176.300 -0.135 0.000 1.134 1269 R CA 2.162 58.228 56.100 -0.057 0.000 0.952 1269 R CB -0.966 29.296 30.300 -0.063 0.000 0.850 1269 R HN 0.924 nan 8.270 nan 0.000 0.433 1270 N N 0.900 119.435 118.700 -0.275 0.000 2.666 1270 N HA -0.160 4.582 4.740 0.003 0.000 0.194 1270 N C 1.168 175.973 175.510 -1.175 0.000 1.220 1270 N CA 0.360 53.025 53.050 -0.642 0.000 0.928 1270 N CB -0.396 37.677 38.487 -0.690 0.000 0.997 1270 N HN 0.213 nan 8.380 nan 0.000 0.447 1271 F N 1.601 121.153 119.950 -0.662 0.000 2.325 1271 F HA -0.100 4.429 4.527 0.003 0.000 0.299 1271 F C 1.981 177.652 175.800 -0.216 0.000 1.090 1271 F CA 0.563 58.383 58.000 -0.300 0.000 1.392 1271 F CB 0.010 39.010 39.000 -0.000 0.000 1.053 1271 F HN -0.072 nan 8.300 nan 0.000 0.521 1272 V N -1.323 118.455 119.914 -0.226 0.000 3.510 1272 V HA 0.051 4.173 4.120 0.003 0.000 0.270 1272 V C 1.247 177.181 176.094 -0.267 0.000 1.201 1272 V CA 1.381 63.530 62.300 -0.252 0.000 1.166 1272 V CB -1.173 30.584 31.823 -0.109 0.000 0.825 1272 V HN 0.447 nan 8.190 nan 0.000 0.484 1273 S N -2.591 112.904 115.700 -0.342 0.000 2.728 1273 S HA 0.399 4.871 4.470 0.003 0.000 0.257 1273 S C 0.144 174.633 174.600 -0.184 0.000 1.060 1273 S CA -0.432 57.625 58.200 -0.239 0.000 1.126 1273 S CB -0.339 62.739 63.200 -0.203 0.000 1.099 1273 S HN 0.296 nan 8.310 nan 0.000 0.617 1274 F N 3.788 123.630 119.950 -0.180 0.000 2.628 1274 F HA 0.281 4.809 4.527 0.003 0.000 0.362 1274 F C 1.323 176.980 175.800 -0.238 0.000 1.148 1274 F CA -0.086 57.802 58.000 -0.186 0.000 1.352 1274 F CB 0.095 38.991 39.000 -0.172 0.000 1.081 1274 F HN 0.036 nan 8.300 nan 0.000 0.605 1275 K N 2.125 122.491 120.400 -0.056 0.000 3.311 1275 K HA -0.306 4.016 4.320 0.003 0.000 0.270 1275 K C 0.472 176.982 176.600 -0.150 0.000 0.927 1275 K CA 1.039 57.145 56.287 -0.301 0.000 0.706 1275 K CB -1.109 30.868 32.500 -0.873 0.000 1.418 1275 K HN 0.735 nan 8.250 nan 0.000 0.459 1276 R N -0.887 119.569 120.500 -0.074 0.000 3.531 1276 R HA -0.242 4.099 4.340 0.003 0.000 0.280 1276 R C 0.102 176.381 176.300 -0.036 0.000 1.130 1276 R CA 1.074 57.152 56.100 -0.037 0.000 0.757 1276 R CB -2.080 28.214 30.300 -0.010 0.000 1.218 1276 R HN 0.551 nan 8.270 nan 0.000 0.454 1277 S N -3.146 112.511 115.700 -0.072 0.000 2.981 1277 S HA -0.353 4.119 4.470 0.003 0.000 0.274 1277 S C 1.140 175.684 174.600 -0.094 0.000 1.297 1277 S CA 1.482 59.620 58.200 -0.104 0.000 1.266 1277 S CB -1.050 62.113 63.200 -0.061 0.000 1.542 1277 S HN 0.492 nan 8.310 nan 0.000 0.674 1278 M N 1.843 121.417 119.600 -0.043 0.000 2.065 1278 M HA -0.048 4.434 4.480 0.003 0.000 0.259 1278 M C 2.238 178.516 176.300 -0.036 0.000 1.071 1278 M CA 2.397 57.711 55.300 0.023 0.000 1.109 1278 M CB -0.823 31.890 32.600 0.188 0.000 1.313 1278 M HN 0.628 nan 8.290 nan 0.000 0.408 1279 V N 0.062 119.904 119.914 -0.120 0.000 2.370 1279 V HA -0.249 3.873 4.120 0.003 0.000 0.252 1279 V C 2.133 178.117 176.094 -0.185 0.000 1.068 1279 V CA 2.268 64.438 62.300 -0.217 0.000 1.061 1279 V CB -0.900 30.813 31.823 -0.184 0.000 0.656 1279 V HN 0.578 nan 8.190 nan 0.000 0.455 1280 L N 0.605 121.629 121.223 -0.331 0.000 2.005 1280 L HA -0.057 4.284 4.340 0.003 0.000 0.207 1280 L C 2.644 179.452 176.870 -0.103 0.000 1.072 1280 L CA 2.368 57.020 54.840 -0.313 0.000 0.744 1280 L CB -0.914 40.892 42.059 -0.421 0.000 0.895 1280 L HN 0.303 nan 8.230 nan 0.000 0.433 1281 K N -0.564 119.783 120.400 -0.089 0.000 2.113 1281 K HA -0.186 4.136 4.320 0.003 0.000 0.208 1281 K C 2.066 178.691 176.600 0.042 0.000 1.047 1281 K CA 1.774 58.051 56.287 -0.018 0.000 0.928 1281 K CB -0.387 32.116 32.500 0.006 0.000 0.716 1281 K HN 0.370 nan 8.250 nan 0.000 0.446 1282 L N 0.613 121.883 121.223 0.078 0.000 2.027 1282 L HA -0.149 4.192 4.340 0.003 0.000 0.206 1282 L C 2.721 179.696 176.870 0.175 0.000 1.074 1282 L CA 1.642 56.570 54.840 0.146 0.000 0.745 1282 L CB -1.057 41.134 42.059 0.221 0.000 0.898 1282 L HN 0.365 nan 8.230 nan 0.000 0.433 1283 T N -2.326 112.363 114.554 0.225 0.000 3.007 1283 T HA -0.089 4.263 4.350 0.003 0.000 0.270 1283 T C 1.728 176.536 174.700 0.181 0.000 1.107 1283 T CA 0.802 63.060 62.100 0.264 0.000 1.118 1283 T CB -0.216 68.908 68.868 0.428 0.000 0.889 1283 T HN 0.215 nan 8.240 nan 0.000 0.506 1284 L N -0.047 121.250 121.223 0.123 0.000 2.145 1284 L HA 0.272 4.613 4.340 0.003 0.000 0.201 1284 L C 3.007 179.866 176.870 -0.020 0.000 1.075 1284 L CA 0.627 55.500 54.840 0.056 0.000 0.773 1284 L CB -0.369 41.714 42.059 0.040 0.000 0.936 1284 L HN 0.168 nan 8.230 nan 0.000 0.451 1285 R N 0.117 120.621 120.500 0.007 0.000 2.159 1285 R HA -0.185 4.156 4.340 0.003 0.000 0.237 1285 R C 2.230 178.565 176.300 0.058 0.000 1.131 1285 R CA 1.793 57.906 56.100 0.022 0.000 0.982 1285 R CB -1.346 28.992 30.300 0.063 0.000 0.868 1285 R HN 0.417 nan 8.270 nan 0.000 0.453 1286 C N -0.654 118.690 119.300 0.073 0.000 2.476 1286 C HA 0.141 4.603 4.460 0.003 0.000 0.278 1286 C C 2.404 177.435 174.990 0.069 0.000 1.274 1286 C CA 0.459 59.524 59.018 0.078 0.000 1.713 1286 C CB -1.032 26.759 27.740 0.085 0.000 2.039 1286 C HN 0.638 nan 8.230 nan 0.000 0.484 1287 L N 0.106 121.353 121.223 0.041 0.000 2.093 1287 L HA -0.061 4.281 4.340 0.003 0.000 0.208 1287 L C 2.714 179.680 176.870 0.159 0.000 1.085 1287 L CA 1.155 56.023 54.840 0.046 0.000 0.755 1287 L CB -0.746 41.289 42.059 -0.040 0.000 0.904 1287 L HN 0.290 nan 8.230 nan 0.000 0.435 1288 V N 0.266 120.216 119.914 0.061 0.000 2.515 1288 V HA -0.255 3.867 4.120 0.003 0.000 0.250 1288 V C 2.736 178.920 176.094 0.149 0.000 1.058 1288 V CA 1.667 64.005 62.300 0.063 0.000 1.064 1288 V CB -0.404 31.355 31.823 -0.107 0.000 0.675 1288 V HN 0.452 nan 8.190 nan 0.000 0.461 1289 R N -0.399 120.185 120.500 0.141 0.000 2.120 1289 R HA -0.097 4.244 4.340 0.003 0.000 0.234 1289 R C 1.933 178.347 176.300 0.189 0.000 1.123 1289 R CA 1.840 58.036 56.100 0.159 0.000 0.975 1289 R CB -0.242 30.135 30.300 0.129 0.000 0.866 1289 R HN 0.487 nan 8.270 nan 0.000 0.446 1290 M N 0.063 119.801 119.600 0.230 0.000 2.633 1290 M HA 0.122 4.603 4.480 0.003 0.000 0.226 1290 M C 0.695 177.208 176.300 0.355 0.000 1.137 1290 M CA 0.764 56.246 55.300 0.304 0.000 1.020 1290 M CB 0.682 33.526 32.600 0.406 0.000 1.675 1290 M HN 0.477 nan 8.290 nan 0.000 0.500 1291 G N 0.645 109.599 108.800 0.256 0.000 2.249 1291 G HA2 -0.296 3.665 3.960 0.003 0.000 0.273 1291 G HA3 -0.296 3.665 3.960 0.003 0.000 0.273 1291 G C -0.272 174.667 174.900 0.065 0.000 1.036 1291 G CA -0.012 45.183 45.100 0.158 0.000 0.824 1291 G HN 0.512 nan 8.290 nan 0.000 0.504 1292 Y N -0.111 120.269 120.300 0.135 0.000 2.316 1292 Y HA 0.458 5.009 4.550 0.002 0.000 0.324 1292 Y C 1.244 177.222 175.900 0.130 0.000 1.267 1292 Y CA -0.359 57.809 58.100 0.113 0.000 1.311 1292 Y CB 0.846 39.392 38.460 0.142 0.000 1.267 1292 Y HN 0.252 nan 8.280 nan 0.000 0.516 1293 Q N 2.937 122.984 119.800 0.411 0.000 2.303 1293 Q HA 0.442 4.784 4.340 0.003 0.000 0.257 1293 Q C -1.125 175.104 176.000 0.382 0.000 0.941 1293 Q CA -0.639 55.379 55.803 0.360 0.000 0.931 1293 Q CB 0.989 29.895 28.738 0.279 0.000 1.215 1293 Q HN 0.698 nan 8.270 nan 0.000 0.437 1294 C N -0.379 119.156 119.300 0.391 0.000 3.171 1294 C HA 0.956 5.417 4.460 0.003 0.000 0.308 1294 C C -0.191 175.050 174.990 0.417 0.000 1.334 1294 C CA -0.617 58.612 59.018 0.352 0.000 1.473 1294 C CB 1.791 29.696 27.740 0.275 0.000 1.866 1294 C HN 0.844 nan 8.230 nan 0.000 0.465 1295 T N -0.113 114.648 114.554 0.346 0.000 2.731 1295 T HA 0.876 5.228 4.350 0.003 0.000 0.300 1295 T C -1.850 173.102 174.700 0.421 0.000 1.283 1295 T CA -0.265 62.016 62.100 0.302 0.000 1.005 1295 T CB 1.614 70.537 68.868 0.091 0.000 1.420 1295 T HN 1.944 nan 8.240 nan 0.000 0.503 1296 F N -0.967 119.198 119.950 0.358 0.000 2.678 1296 F HA 0.883 5.411 4.527 0.003 0.000 0.308 1296 F C -0.475 175.605 175.800 0.465 0.000 1.118 1296 F CA -0.307 57.949 58.000 0.427 0.000 0.959 1296 F CB 1.170 40.345 39.000 0.291 0.000 1.305 1296 F HN 0.923 nan 8.300 nan 0.000 0.443 1297 G N 0.529 109.621 108.800 0.485 0.000 2.548 1297 G HA2 0.591 4.553 3.960 0.003 0.000 0.301 1297 G HA3 0.591 4.553 3.960 0.003 0.000 0.301 1297 G C -2.562 172.248 174.900 -0.150 0.000 1.349 1297 G CA -0.748 44.303 45.100 -0.082 0.000 0.792 1297 G HN 0.934 nan 8.290 nan 0.000 0.481 1298 V N 0.378 120.138 119.914 -0.257 0.000 2.656 1298 V HA 0.685 4.806 4.120 0.003 0.000 0.307 1298 V C -0.315 175.639 176.094 -0.233 0.000 1.051 1298 V CA -0.575 61.624 62.300 -0.168 0.000 0.893 1298 V CB 1.455 33.242 31.823 -0.060 0.000 0.999 1298 V HN 0.645 nan 8.190 nan 0.000 0.426 1299 L N 3.103 124.216 121.223 -0.183 0.000 2.354 1299 L HA 0.639 4.981 4.340 0.003 0.000 0.269 1299 L C -0.637 176.193 176.870 -0.067 0.000 1.005 1299 L CA -0.817 53.952 54.840 -0.118 0.000 0.819 1299 L CB 2.250 44.197 42.059 -0.186 0.000 1.311 1299 L HN 0.585 nan 8.230 nan 0.000 0.423 1300 Q N 1.533 121.332 119.800 -0.002 0.000 2.509 1300 Q HA 0.389 4.731 4.340 0.003 0.000 0.236 1300 Q C 0.568 176.519 176.000 -0.081 0.000 1.073 1300 Q CA -0.031 55.694 55.803 -0.129 0.000 0.867 1300 Q CB 1.426 30.004 28.738 -0.267 0.000 1.181 1300 Q HN 0.700 nan 8.270 nan 0.000 0.526 1301 A N 3.347 126.125 122.820 -0.071 0.000 2.001 1301 A HA -0.295 4.026 4.320 0.003 0.000 0.224 1301 A C 1.759 179.311 177.584 -0.054 0.000 1.203 1301 A CA 2.331 54.359 52.037 -0.014 0.000 0.667 1301 A CB -1.258 17.704 19.000 -0.064 0.000 0.823 1301 A HN 0.857 nan 8.150 nan 0.000 0.473 1302 G N -1.374 107.199 108.800 -0.378 0.000 2.446 1302 G HA2 -0.259 3.703 3.960 0.003 0.000 0.217 1302 G HA3 -0.259 3.703 3.960 0.003 0.000 0.217 1302 G C 1.445 176.169 174.900 -0.293 0.000 1.168 1302 G CA 0.932 45.698 45.100 -0.556 0.000 0.771 1302 G HN 0.689 nan 8.290 nan 0.000 0.551 1303 Q N -0.699 118.866 119.800 -0.393 0.000 2.561 1303 Q HA -0.044 4.297 4.340 0.003 0.000 0.217 1303 Q C 0.350 176.060 176.000 -0.482 0.000 0.980 1303 Q CA 0.556 56.133 55.803 -0.376 0.000 0.927 1303 Q CB -0.064 28.330 28.738 -0.574 0.000 0.980 1303 Q HN 0.765 nan 8.270 nan 0.000 0.525 1304 Y N -1.232 119.106 120.300 0.063 0.000 2.716 1304 Y HA 0.356 4.908 4.550 0.003 0.000 0.260 1304 Y C 0.847 176.910 175.900 0.272 0.000 1.141 1304 Y CA -0.176 58.023 58.100 0.165 0.000 1.168 1304 Y CB 1.163 39.655 38.460 0.053 0.000 1.189 1304 Y HN 0.033 nan 8.280 nan 0.000 0.549 1305 G N 0.406 109.400 108.800 0.324 0.000 2.288 1305 G HA2 -0.101 3.861 3.960 0.003 0.000 0.205 1305 G HA3 -0.101 3.861 3.960 0.003 0.000 0.205 1305 G C -0.973 173.842 174.900 -0.142 0.000 1.071 1305 G CA -0.221 44.884 45.100 0.009 0.000 0.788 1305 G HN 0.142 nan 8.290 nan 0.000 0.491 1306 V N -0.433 119.368 119.914 -0.188 0.000 2.711 1306 V HA 0.739 4.861 4.120 0.003 0.000 0.304 1306 V C 0.439 176.465 176.094 -0.112 0.000 1.097 1306 V CA -0.346 61.838 62.300 -0.193 0.000 0.906 1306 V CB 1.931 33.725 31.823 -0.048 0.000 1.015 1306 V HN 1.397 nan 8.190 nan 0.000 0.427 1307 A N 4.677 127.415 122.820 -0.136 0.000 3.037 1307 A HA 0.618 4.939 4.320 0.003 0.000 0.272 1307 A C 0.020 177.755 177.584 0.251 0.000 1.723 1307 A CA 0.156 52.255 52.037 0.103 0.000 1.413 1307 A CB -0.233 18.835 19.000 0.113 0.000 1.112 1307 A HN 0.805 nan 8.150 nan 0.000 0.606 1308 Q N 0.304 120.253 119.800 0.250 0.000 2.438 1308 Q HA 0.241 4.582 4.340 0.003 0.000 0.272 1308 Q C -1.502 174.586 176.000 0.146 0.000 0.994 1308 Q CA -0.431 55.529 55.803 0.262 0.000 0.887 1308 Q CB 1.532 30.330 28.738 0.100 0.000 1.432 1308 Q HN 0.283 nan 8.270 nan 0.000 0.392 1309 T N 3.740 118.437 114.554 0.238 0.000 2.794 1309 T HA 0.358 4.710 4.350 0.003 0.000 0.304 1309 T C -0.304 174.409 174.700 0.021 0.000 0.973 1309 T CA -0.075 62.078 62.100 0.089 0.000 0.972 1309 T CB 0.020 69.043 68.868 0.258 0.000 0.952 1309 T HN 0.348 nan 8.240 nan 0.000 0.509 1310 R N 3.429 123.881 120.500 -0.079 0.000 2.718 1310 R HA 0.212 4.553 4.340 0.003 0.000 0.266 1310 R C -0.476 175.774 176.300 -0.083 0.000 1.776 1310 R CA -0.598 55.470 56.100 -0.054 0.000 1.567 1310 R CB 0.353 30.629 30.300 -0.039 0.000 1.336 1310 R HN 0.500 nan 8.270 nan 0.000 0.619 1311 R N 2.552 123.007 120.500 -0.075 0.000 2.442 1311 R HA 0.276 4.617 4.340 0.003 0.000 0.291 1311 R C -0.199 176.063 176.300 -0.065 0.000 1.069 1311 R CA 0.176 56.229 56.100 -0.079 0.000 1.022 1311 R CB 0.912 31.172 30.300 -0.066 0.000 0.976 1311 R HN 0.345 nan 8.270 nan 0.000 0.443 1312 R N 1.078 121.535 120.500 -0.072 0.000 2.771 1312 R HA 0.492 4.833 4.340 0.003 0.000 0.274 1312 R C -1.037 175.231 176.300 -0.053 0.000 0.987 1312 R CA -0.993 55.068 56.100 -0.064 0.000 0.908 1312 R CB 2.068 32.323 30.300 -0.076 0.000 1.213 1312 R HN 0.576 nan 8.270 nan 0.000 0.468 1313 A N 2.515 125.321 122.820 -0.022 0.000 2.316 1313 A HA 0.636 4.958 4.320 0.003 0.000 0.284 1313 A C -0.390 177.213 177.584 0.032 0.000 1.115 1313 A CA -0.367 51.694 52.037 0.040 0.000 0.812 1313 A CB 0.553 19.637 19.000 0.140 0.000 1.064 1313 A HN 0.450 nan 8.150 nan 0.000 0.489 1314 I N 2.106 122.750 120.570 0.124 0.000 2.534 1314 I HA 0.315 4.487 4.170 0.003 0.000 0.288 1314 I C -1.313 175.020 176.117 0.360 0.000 1.077 1314 I CA -0.402 61.011 61.300 0.190 0.000 1.051 1314 I CB 1.576 39.708 38.000 0.219 0.000 1.234 1314 I HN 0.400 nan 8.210 nan 0.000 0.425 1315 I N 6.983 127.729 120.570 0.294 0.000 2.390 1315 I HA 0.378 4.550 4.170 0.003 0.000 0.283 1315 I C -0.149 176.159 176.117 0.319 0.000 1.016 1315 I CA -0.087 61.442 61.300 0.381 0.000 1.151 1315 I CB 1.145 39.392 38.000 0.412 0.000 1.293 1315 I HN 0.231 nan 8.210 nan 0.000 0.458 1316 L N 5.625 127.037 121.223 0.315 0.000 2.309 1316 L HA 0.898 5.240 4.340 0.003 0.000 0.282 1316 L C 0.112 177.168 176.870 0.311 0.000 1.036 1316 L CA -0.559 54.424 54.840 0.238 0.000 0.806 1316 L CB 1.536 43.642 42.059 0.079 0.000 1.220 1316 L HN 0.686 nan 8.230 nan 0.000 0.429 1317 A N 2.709 125.753 122.820 0.373 0.000 2.449 1317 A HA 0.937 5.259 4.320 0.003 0.000 0.302 1317 A C -1.142 176.717 177.584 0.459 0.000 1.048 1317 A CA -0.440 51.808 52.037 0.351 0.000 0.708 1317 A CB 1.916 21.000 19.000 0.139 0.000 1.274 1317 A HN 0.746 nan 8.150 nan 0.000 0.410 1318 A N 0.816 123.943 122.820 0.511 0.000 2.449 1318 A HA 0.859 5.181 4.320 0.003 0.000 0.302 1318 A C 0.238 178.026 177.584 0.341 0.000 1.048 1318 A CA -0.032 52.277 52.037 0.452 0.000 0.708 1318 A CB 1.038 20.297 19.000 0.432 0.000 1.274 1318 A HN 2.510 nan 8.150 nan 0.000 0.410 1319 A N 2.392 125.266 122.820 0.091 0.000 2.507 1319 A HA 0.477 4.799 4.320 0.003 0.000 0.235 1319 A C -1.512 175.850 177.584 -0.370 0.000 1.070 1319 A CA -0.481 51.409 52.037 -0.244 0.000 0.768 1319 A CB -0.497 18.407 19.000 -0.159 0.000 1.011 1319 A HN 0.558 nan 8.150 nan 0.000 0.502 1320 P HA -0.079 nan 4.420 nan 0.000 0.222 1320 P C 1.021 178.153 177.300 -0.280 0.000 1.142 1320 P CA 1.799 64.588 63.100 -0.518 0.000 0.788 1320 P CB 0.194 31.396 31.700 -0.830 0.000 0.767 1321 G N -1.931 106.717 108.800 -0.253 0.000 3.502 1321 G HA2 0.069 4.031 3.960 0.003 0.000 0.267 1321 G HA3 0.069 4.031 3.960 0.003 0.000 0.267 1321 G C 0.335 175.184 174.900 -0.084 0.000 1.090 1321 G CA -0.062 44.956 45.100 -0.135 0.000 0.795 1321 G HN 0.091 nan 8.290 nan 0.000 0.535 1322 E N -0.096 120.059 120.200 -0.075 0.000 2.412 1322 E HA 0.422 4.774 4.350 0.003 0.000 0.255 1322 E C -0.828 175.820 176.600 0.079 0.000 0.933 1322 E CA -0.807 55.589 56.400 -0.007 0.000 0.823 1322 E CB 1.413 31.049 29.700 -0.106 0.000 1.352 1322 E HN -0.099 nan 8.360 nan 0.000 0.406 1323 K N 1.614 122.115 120.400 0.169 0.000 2.235 1323 K HA 0.241 4.563 4.320 0.003 0.000 0.266 1323 K C -0.719 176.015 176.600 0.223 0.000 0.980 1323 K CA -0.856 55.524 56.287 0.156 0.000 0.849 1323 K CB 0.793 33.360 32.500 0.111 0.000 1.098 1323 K HN 0.292 nan 8.250 nan 0.000 0.445 1324 L N 7.321 128.652 121.223 0.180 0.000 2.530 1324 L HA 0.183 4.524 4.340 0.003 0.000 0.273 1324 L C -2.269 174.642 176.870 0.069 0.000 1.141 1324 L CA -1.109 53.835 54.840 0.173 0.000 0.905 1324 L CB 0.044 42.204 42.059 0.169 0.000 1.202 1324 L HN 0.491 nan 8.230 nan 0.000 0.473 1325 P HA 0.027 nan 4.420 nan 0.000 0.266 1325 P C -0.507 176.692 177.300 -0.169 0.000 1.193 1325 P CA 0.139 63.175 63.100 -0.107 0.000 0.770 1325 P CB 0.469 32.047 31.700 -0.203 0.000 0.836 1326 L N 1.924 123.068 121.223 -0.133 0.000 2.431 1326 L HA 0.407 4.749 4.340 0.003 0.000 0.260 1326 L C 0.404 177.181 176.870 -0.155 0.000 1.098 1326 L CA -0.758 53.997 54.840 -0.141 0.000 0.800 1326 L CB 0.268 42.319 42.059 -0.013 0.000 1.210 1326 L HN 0.226 nan 8.230 nan 0.000 0.465 1327 F N 0.855 120.816 119.950 0.018 0.000 2.399 1327 F HA 0.323 4.852 4.527 0.002 0.000 0.342 1327 F C -1.748 174.072 175.800 0.034 0.000 1.106 1327 F CA -2.390 55.616 58.000 0.010 0.000 1.196 1327 F CB 0.050 39.049 39.000 -0.003 0.000 1.163 1327 F HN 0.139 nan 8.300 nan 0.000 0.547 1328 P HA -0.038 nan 4.420 nan 0.000 0.265 1328 P C -0.868 176.630 177.300 0.330 0.000 1.187 1328 P CA 0.125 63.364 63.100 0.233 0.000 0.766 1328 P CB 0.464 32.212 31.700 0.080 0.000 0.820 1329 E N 4.273 124.625 120.200 0.253 0.000 2.146 1329 E HA 0.301 4.653 4.350 0.003 0.000 0.282 1329 E C -2.316 174.302 176.600 0.030 0.000 0.989 1329 E CA -2.802 53.681 56.400 0.139 0.000 0.799 1329 E CB -0.145 29.604 29.700 0.081 0.000 1.088 1329 E HN 0.252 nan 8.360 nan 0.000 0.397 1330 P HA -0.121 nan 4.420 nan 0.000 0.257 1330 P C -0.100 176.956 177.300 -0.407 0.000 1.153 1330 P CA 0.738 63.513 63.100 -0.541 0.000 0.762 1330 P CB 0.395 31.857 31.700 -0.396 0.000 0.743 1331 L N 2.159 123.108 121.223 -0.458 0.000 2.408 1331 L HA 0.103 4.444 4.340 0.003 0.000 0.215 1331 L C 1.013 177.515 176.870 -0.613 0.000 1.081 1331 L CA 0.491 55.043 54.840 -0.479 0.000 0.840 1331 L CB -0.166 41.692 42.059 -0.334 0.000 1.002 1331 L HN 0.493 nan 8.230 nan 0.000 0.468 1332 H N -0.367 118.586 119.070 -0.196 0.000 2.622 1332 H HA 0.388 4.946 4.556 0.003 0.000 0.363 1332 H C -0.598 174.652 175.328 -0.130 0.000 1.151 1332 H CA -0.820 55.175 56.048 -0.090 0.000 1.184 1332 H CB 2.395 32.161 29.762 0.006 0.000 1.643 1332 H HN -0.217 nan 8.280 nan 0.000 0.531 1333 V N 0.365 120.293 119.914 0.024 0.000 2.881 1333 V HA 0.446 4.567 4.120 0.003 0.000 0.303 1333 V C -0.312 175.817 176.094 0.059 0.000 1.070 1333 V CA -0.242 62.035 62.300 -0.039 0.000 1.074 1333 V CB 0.492 32.264 31.823 -0.085 0.000 1.012 1333 V HN 0.540 nan 8.190 nan 0.000 0.482 1334 F N 1.509 121.365 119.950 -0.157 0.000 2.654 1334 F HA 0.720 5.248 4.527 0.003 0.000 0.308 1334 F C 0.346 176.048 175.800 -0.164 0.000 1.108 1334 F CA -0.451 57.435 58.000 -0.191 0.000 0.957 1334 F CB 1.597 40.460 39.000 -0.228 0.000 1.309 1334 F HN 0.959 nan 8.300 nan 0.000 0.446 1335 A N 5.199 127.782 122.820 -0.395 0.000 2.540 1335 A HA 0.234 4.556 4.320 0.003 0.000 0.264 1335 A C -2.004 175.620 177.584 0.067 0.000 1.080 1335 A CA -0.637 51.315 52.037 -0.143 0.000 0.776 1335 A CB -0.602 18.288 19.000 -0.182 0.000 1.011 1335 A HN 0.606 nan 8.150 nan 0.000 0.514 1336 P HA -0.212 nan 4.420 nan 0.000 0.219 1336 P C 1.622 178.952 177.300 0.049 0.000 1.144 1336 P CA 1.327 64.447 63.100 0.033 0.000 0.806 1336 P CB 0.097 31.801 31.700 0.006 0.000 0.771 1337 R N 0.198 120.740 120.500 0.070 0.000 2.073 1337 R HA -0.035 4.307 4.340 0.003 0.000 0.234 1337 R C 1.378 177.732 176.300 0.090 0.000 1.134 1337 R CA 1.575 57.722 56.100 0.079 0.000 0.952 1337 R CB -0.631 29.730 30.300 0.103 0.000 0.850 1337 R HN 0.057 nan 8.270 nan 0.000 0.433 1338 A N -0.325 122.579 122.820 0.140 0.000 2.648 1338 A HA 0.193 4.515 4.320 0.003 0.000 0.269 1338 A C -0.078 177.517 177.584 0.018 0.000 1.392 1338 A CA -0.286 51.815 52.037 0.107 0.000 1.019 1338 A CB -0.336 18.781 19.000 0.194 0.000 1.009 1338 A HN 0.451 nan 8.150 nan 0.000 0.565 1339 C N -0.229 119.081 119.300 0.016 0.000 3.025 1339 C HA 0.249 4.711 4.460 0.003 0.000 0.240 1339 C C 0.795 175.770 174.990 -0.024 0.000 2.061 1339 C CA -0.438 58.564 59.018 -0.026 0.000 1.571 1339 C CB -1.142 26.588 27.740 -0.016 0.000 3.075 1339 C HN 0.700 nan 8.230 nan 0.000 0.479 1340 Q N 0.808 120.597 119.800 -0.018 0.000 2.945 1340 Q HA 0.203 4.545 4.340 0.003 0.000 0.323 1340 Q C 1.364 177.350 176.000 -0.023 0.000 1.188 1340 Q CA -0.042 55.751 55.803 -0.016 0.000 0.929 1340 Q CB 0.115 28.847 28.738 -0.009 0.000 1.531 1340 Q HN 0.749 nan 8.270 nan 0.000 0.444 1341 L N -0.127 121.075 121.223 -0.036 0.000 2.089 1341 L HA -0.207 4.135 4.340 0.003 0.000 0.213 1341 L C 1.383 178.241 176.870 -0.021 0.000 1.079 1341 L CA 0.647 55.459 54.840 -0.047 0.000 0.758 1341 L CB -1.015 41.002 42.059 -0.070 0.000 0.891 1341 L HN 0.362 nan 8.230 nan 0.000 0.433 1342 S N -0.249 115.445 115.700 -0.009 0.000 2.550 1342 S HA 0.248 4.720 4.470 0.003 0.000 0.285 1342 S C -0.241 174.393 174.600 0.057 0.000 1.326 1342 S CA -0.744 57.468 58.200 0.020 0.000 1.037 1342 S CB 1.031 64.235 63.200 0.007 0.000 0.838 1342 S HN 0.031 nan 8.310 nan 0.000 0.519 1343 V N 1.985 121.972 119.914 0.122 0.000 2.808 1343 V HA 0.681 4.802 4.120 0.003 0.000 0.308 1343 V C -0.436 175.772 176.094 0.190 0.000 1.099 1343 V CA -0.854 61.549 62.300 0.173 0.000 0.920 1343 V CB 1.715 33.724 31.823 0.309 0.000 1.014 1343 V HN 0.968 nan 8.190 nan 0.000 0.425 1344 V N 5.570 125.552 119.914 0.115 0.000 2.604 1344 V HA 0.855 4.976 4.120 0.003 0.000 0.305 1344 V C -1.131 175.025 176.094 0.103 0.000 1.043 1344 V CA -0.260 62.074 62.300 0.057 0.000 0.888 1344 V CB 2.060 33.872 31.823 -0.018 0.000 0.995 1344 V HN 0.679 nan 8.190 nan 0.000 0.429 1345 V N 5.848 125.846 119.914 0.140 0.000 2.482 1345 V HA 0.497 4.619 4.120 0.003 0.000 0.295 1345 V C -0.637 175.530 176.094 0.121 0.000 1.026 1345 V CA -0.661 61.748 62.300 0.183 0.000 0.856 1345 V CB 1.388 33.432 31.823 0.368 0.000 1.001 1345 V HN 1.025 nan 8.190 nan 0.000 0.424 1346 D N 3.788 124.227 120.400 0.064 0.000 2.904 1346 D HA -0.206 4.436 4.640 0.003 0.000 0.231 1346 D C 0.580 176.885 176.300 0.008 0.000 1.185 1346 D CA 1.491 55.516 54.000 0.042 0.000 0.783 1346 D CB -0.570 40.270 40.800 0.067 0.000 0.961 1346 D HN 1.134 nan 8.370 nan 0.000 0.409 1347 D N -0.428 119.959 120.400 -0.021 0.000 2.837 1347 D HA -0.235 4.407 4.640 0.003 0.000 0.230 1347 D C -0.843 175.393 176.300 -0.106 0.000 1.152 1347 D CA 1.363 55.332 54.000 -0.051 0.000 0.736 1347 D CB -0.426 40.355 40.800 -0.032 0.000 1.084 1347 D HN 0.523 nan 8.370 nan 0.000 0.429 1348 K N 0.639 120.930 120.400 -0.182 0.000 2.640 1348 K HA 0.212 4.534 4.320 0.003 0.000 0.245 1348 K C -0.492 175.690 176.600 -0.696 0.000 0.962 1348 K CA -0.843 55.186 56.287 -0.430 0.000 0.896 1348 K CB 1.614 33.835 32.500 -0.466 0.000 1.147 1348 K HN 0.008 nan 8.250 nan 0.000 0.445 1349 K N 3.905 124.007 120.400 -0.497 0.000 2.316 1349 K HA 0.230 4.552 4.320 0.003 0.000 0.289 1349 K C -1.161 175.189 176.600 -0.417 0.000 1.070 1349 K CA -0.148 55.932 56.287 -0.346 0.000 0.928 1349 K CB 0.356 32.762 32.500 -0.157 0.000 1.039 1349 K HN 0.249 nan 8.250 nan 0.000 0.480 1350 F N 3.786 123.793 119.950 0.095 0.000 2.480 1350 F HA 0.326 4.854 4.527 0.003 0.000 0.329 1350 F C 0.608 176.422 175.800 0.024 0.000 1.091 1350 F CA -0.758 57.290 58.000 0.080 0.000 0.972 1350 F CB 1.463 40.558 39.000 0.159 0.000 1.150 1350 F HN 0.310 nan 8.300 nan 0.000 0.467 1351 V N -1.105 118.902 119.914 0.156 0.000 4.665 1351 V HA 0.918 5.040 4.120 0.003 0.000 0.293 1351 V C -0.295 175.717 176.094 -0.136 0.000 1.444 1351 V CA -0.323 61.972 62.300 -0.008 0.000 0.868 1351 V CB 1.143 32.932 31.823 -0.055 0.000 1.311 1351 V HN 0.803 nan 8.190 nan 0.000 0.455 1352 S N -0.684 114.853 115.700 -0.272 0.000 2.794 1352 S HA 0.425 4.897 4.470 0.003 0.000 0.299 1352 S C -0.037 174.202 174.600 -0.601 0.000 1.179 1352 S CA -0.077 57.958 58.200 -0.276 0.000 0.838 1352 S CB 1.111 64.268 63.200 -0.072 0.000 1.206 1352 S HN 1.156 nan 8.310 nan 0.000 0.523 1353 N N -0.260 118.261 118.700 -0.298 0.000 2.434 1353 N HA 0.170 4.911 4.740 0.003 0.000 0.196 1353 N C -0.152 175.325 175.510 -0.054 0.000 1.183 1353 N CA -0.085 52.829 53.050 -0.226 0.000 0.849 1353 N CB -0.656 37.860 38.487 0.048 0.000 0.992 1353 N HN 0.630 nan 8.380 nan 0.000 0.460 1354 I N 0.209 120.746 120.570 -0.055 0.000 2.496 1354 I HA 0.030 4.201 4.170 0.003 0.000 0.285 1354 I C 0.705 176.810 176.117 -0.020 0.000 1.080 1354 I CA -0.141 61.156 61.300 -0.003 0.000 1.404 1354 I CB 1.236 39.231 38.000 -0.009 0.000 1.403 1354 I HN 0.124 nan 8.210 nan 0.000 0.539 1355 T N 4.367 118.930 114.554 0.015 0.000 2.988 1355 T HA 0.077 4.429 4.350 0.003 0.000 0.240 1355 T C 0.831 175.538 174.700 0.012 0.000 1.014 1355 T CA 0.255 62.370 62.100 0.025 0.000 1.155 1355 T CB 0.040 68.940 68.868 0.054 0.000 0.872 1355 T HN 0.467 nan 8.240 nan 0.000 0.440 1356 R N 1.957 122.462 120.500 0.009 0.000 2.413 1356 R HA 0.225 4.567 4.340 0.003 0.000 0.333 1356 R C 0.503 176.759 176.300 -0.074 0.000 1.074 1356 R CA -0.031 56.049 56.100 -0.034 0.000 0.982 1356 R CB -0.034 30.220 30.300 -0.077 0.000 0.981 1356 R HN 0.293 nan 8.270 nan 0.000 0.452 1357 L N 1.437 122.622 121.223 -0.065 0.000 2.664 1357 L HA 0.027 4.369 4.340 0.003 0.000 0.233 1357 L C 1.026 177.849 176.870 -0.079 0.000 1.113 1357 L CA 0.382 55.181 54.840 -0.068 0.000 0.896 1357 L CB 0.352 42.383 42.059 -0.046 0.000 1.163 1357 L HN 0.690 nan 8.230 nan 0.000 0.497 1358 S N -2.513 113.127 115.700 -0.100 0.000 3.248 1358 S HA 0.250 4.721 4.470 0.003 0.000 0.173 1358 S C 0.828 175.315 174.600 -0.189 0.000 0.749 1358 S CA -0.203 57.930 58.200 -0.112 0.000 0.898 1358 S CB 0.104 63.252 63.200 -0.086 0.000 1.027 1358 S HN 0.085 nan 8.310 nan 0.000 0.781 1359 S N 0.767 116.307 115.700 -0.267 0.000 2.634 1359 S HA 0.669 5.141 4.470 0.003 0.000 0.254 1359 S C 0.397 174.571 174.600 -0.711 0.000 1.299 1359 S CA 0.061 57.973 58.200 -0.480 0.000 0.974 1359 S CB 0.223 63.070 63.200 -0.588 0.000 1.001 1359 S HN 1.109 nan 8.310 nan 0.000 0.584 1360 G N -0.659 107.553 108.800 -0.980 0.000 2.559 1360 G HA2 0.477 4.438 3.960 0.003 0.000 0.291 1360 G HA3 0.477 4.438 3.960 0.003 0.000 0.291 1360 G C -3.042 171.385 174.900 -0.789 0.000 1.424 1360 G CA -0.855 43.723 45.100 -0.869 0.000 0.786 1360 G HN 0.359 nan 8.290 nan 0.000 0.485 1361 P HA 0.121 nan 4.420 nan 0.000 0.214 1361 P C 0.199 177.382 177.300 -0.195 0.000 1.162 1361 P CA 0.886 63.677 63.100 -0.515 0.000 0.874 1361 P CB 0.123 31.325 31.700 -0.829 0.000 0.784 1362 F N -0.686 119.168 119.950 -0.160 0.000 2.432 1362 F HA 0.371 4.900 4.527 0.003 0.000 0.329 1362 F C 1.338 177.155 175.800 0.027 0.000 1.076 1362 F CA -1.666 56.287 58.000 -0.078 0.000 1.018 1362 F CB 0.945 39.783 39.000 -0.270 0.000 1.201 1362 F HN -0.339 nan 8.300 nan 0.000 0.489 1363 R N -0.135 120.541 120.500 0.292 0.000 2.738 1363 R HA 0.214 4.556 4.340 0.003 0.000 0.268 1363 R C -0.005 176.420 176.300 0.208 0.000 1.062 1363 R CA -0.628 55.574 56.100 0.171 0.000 1.158 1363 R CB 0.194 30.559 30.300 0.108 0.000 1.046 1363 R HN 0.588 nan 8.270 nan 0.000 0.493 1364 T N 0.927 115.529 114.554 0.080 0.000 2.900 1364 T HA 0.181 4.532 4.350 0.003 0.000 0.307 1364 T C 0.399 175.069 174.700 -0.050 0.000 1.065 1364 T CA -0.531 61.573 62.100 0.007 0.000 1.105 1364 T CB 0.280 69.090 68.868 -0.096 0.000 0.979 1364 T HN 0.339 nan 8.240 nan 0.000 0.544 1365 I N 4.511 124.998 120.570 -0.138 0.000 2.365 1365 I HA 0.285 4.457 4.170 0.003 0.000 0.291 1365 I C 1.197 177.281 176.117 -0.054 0.000 1.004 1365 I CA -0.320 60.876 61.300 -0.174 0.000 1.311 1365 I CB 0.911 38.656 38.000 -0.425 0.000 1.401 1365 I HN 0.831 nan 8.210 nan 0.000 0.491 1366 T N 2.135 116.695 114.554 0.009 0.000 2.948 1366 T HA 0.465 4.817 4.350 0.003 0.000 0.285 1366 T C 1.209 176.004 174.700 0.159 0.000 1.019 1366 T CA -0.741 61.417 62.100 0.096 0.000 1.013 1366 T CB 1.893 70.810 68.868 0.081 0.000 1.117 1366 T HN 0.208 nan 8.240 nan 0.000 0.533 1367 V N 0.842 120.888 119.914 0.221 0.000 2.594 1367 V HA -0.113 4.009 4.120 0.003 0.000 0.253 1367 V C 2.920 179.235 176.094 0.368 0.000 1.069 1367 V CA 1.904 64.384 62.300 0.299 0.000 1.082 1367 V CB -1.120 30.740 31.823 0.062 0.000 0.680 1367 V HN 0.906 nan 8.190 nan 0.000 0.469 1368 R N 0.502 121.214 120.500 0.354 0.000 2.070 1368 R HA -0.200 4.142 4.340 0.003 0.000 0.233 1368 R C 2.016 178.404 176.300 0.147 0.000 1.137 1368 R CA 2.324 58.591 56.100 0.278 0.000 0.945 1368 R CB -0.378 29.848 30.300 -0.123 0.000 0.845 1368 R HN 0.477 nan 8.270 nan 0.000 0.430 1369 D N -0.667 119.799 120.400 0.109 0.000 2.218 1369 D HA -0.102 4.540 4.640 0.003 0.000 0.204 1369 D C 1.590 178.084 176.300 0.323 0.000 0.976 1369 D CA 1.548 55.649 54.000 0.168 0.000 0.853 1369 D CB 0.012 40.911 40.800 0.165 0.000 0.939 1369 D HN 0.296 nan 8.370 nan 0.000 0.481 1370 T N 0.042 114.792 114.554 0.328 0.000 2.770 1370 T HA -0.005 4.346 4.350 0.003 0.000 0.258 1370 T C 1.108 175.996 174.700 0.314 0.000 1.039 1370 T CA 0.883 63.233 62.100 0.416 0.000 1.143 1370 T CB 0.001 69.054 68.868 0.308 0.000 0.866 1370 T HN 0.240 nan 8.240 nan 0.000 0.428 1371 M N 0.796 120.590 119.600 0.323 0.000 2.400 1371 M HA 0.560 5.041 4.480 0.003 0.000 0.241 1371 M C 0.317 176.839 176.300 0.370 0.000 1.158 1371 M CA -0.630 54.845 55.300 0.293 0.000 0.613 1371 M CB 1.452 34.229 32.600 0.295 0.000 1.615 1371 M HN 0.054 nan 8.290 nan 0.000 0.371 1372 S N -1.323 114.532 115.700 0.257 0.000 2.524 1372 S HA 0.046 4.517 4.470 0.003 0.000 0.222 1372 S C 0.917 175.583 174.600 0.110 0.000 1.040 1372 S CA 0.535 58.843 58.200 0.179 0.000 0.915 1372 S CB -0.059 63.119 63.200 -0.037 0.000 0.831 1372 S HN 0.699 nan 8.310 nan 0.000 0.492 1373 D N 1.756 122.209 120.400 0.088 0.000 2.340 1373 D HA 0.123 4.765 4.640 0.003 0.000 0.220 1373 D C 0.406 176.763 176.300 0.096 0.000 1.039 1373 D CA -0.161 53.875 54.000 0.060 0.000 0.866 1373 D CB -0.444 40.352 40.800 -0.006 0.000 0.913 1373 D HN 0.399 nan 8.370 nan 0.000 0.523 1374 L N 1.161 122.460 121.223 0.127 0.000 2.331 1374 L HA 0.322 4.664 4.340 0.003 0.000 0.278 1374 L C -1.902 175.050 176.870 0.135 0.000 1.106 1374 L CA -1.834 53.049 54.840 0.072 0.000 0.824 1374 L CB 0.450 42.560 42.059 0.085 0.000 1.142 1374 L HN -0.251 nan 8.230 nan 0.000 0.443 1375 P HA -0.020 nan 4.420 nan 0.000 0.269 1375 P C -0.550 176.868 177.300 0.198 0.000 1.217 1375 P CA -0.351 62.824 63.100 0.125 0.000 0.783 1375 P CB 0.466 32.215 31.700 0.083 0.000 0.898 1376 E N 1.180 121.455 120.200 0.126 0.000 2.299 1376 E HA 0.254 4.605 4.350 0.003 0.000 0.272 1376 E C -1.166 175.479 176.600 0.074 0.000 1.043 1376 E CA -0.306 56.141 56.400 0.079 0.000 0.895 1376 E CB 0.247 29.968 29.700 0.035 0.000 1.011 1376 E HN 0.072 nan 8.360 nan 0.000 0.432 1377 V N 4.684 124.627 119.914 0.048 0.000 2.823 1377 V HA 0.439 4.561 4.120 0.003 0.000 0.312 1377 V C -0.428 175.654 176.094 -0.020 0.000 1.072 1377 V CA -1.092 61.219 62.300 0.019 0.000 0.937 1377 V CB 1.945 33.763 31.823 -0.008 0.000 1.013 1377 V HN 0.697 nan 8.190 nan 0.000 0.430 1378 R N 1.550 122.045 120.500 -0.008 0.000 2.528 1378 R HA 0.312 4.653 4.340 0.003 0.000 0.271 1378 R C 0.355 176.653 176.300 -0.004 0.000 1.056 1378 R CA -0.537 55.561 56.100 -0.002 0.000 1.117 1378 R CB 0.176 30.482 30.300 0.010 0.000 1.085 1378 R HN 0.833 nan 8.270 nan 0.000 0.530 1379 N N 0.538 119.245 118.700 0.010 0.000 2.359 1379 N HA -0.024 4.718 4.740 0.003 0.000 0.261 1379 N C 0.656 176.171 175.510 0.009 0.000 1.267 1379 N CA 1.008 54.067 53.050 0.015 0.000 0.864 1379 N CB 0.247 38.753 38.487 0.032 0.000 1.063 1379 N HN 0.745 nan 8.380 nan 0.000 0.474 1380 G N 2.207 111.010 108.800 0.005 0.000 2.336 1380 G HA2 -0.324 3.638 3.960 0.003 0.000 0.233 1380 G HA3 -0.324 3.638 3.960 0.003 0.000 0.233 1380 G C 0.268 175.166 174.900 -0.003 0.000 1.053 1380 G CA 0.147 45.249 45.100 0.004 0.000 0.625 1380 G HN 1.084 nan 8.290 nan 0.000 0.511 1381 A N 0.585 123.399 122.820 -0.009 0.000 2.567 1381 A HA 0.415 4.736 4.320 0.003 0.000 0.263 1381 A C 1.001 178.574 177.584 -0.018 0.000 1.030 1381 A CA 1.668 53.697 52.037 -0.013 0.000 0.833 1381 A CB -0.102 18.888 19.000 -0.018 0.000 0.924 1381 A HN 1.222 nan 8.150 nan 0.000 0.518 1382 S N 2.208 117.901 115.700 -0.011 0.000 2.460 1382 S HA 0.431 4.903 4.470 0.003 0.000 0.211 1382 S C 0.381 174.974 174.600 -0.012 0.000 1.312 1382 S CA 0.231 58.423 58.200 -0.013 0.000 1.256 1382 S CB 0.320 63.513 63.200 -0.012 0.000 1.086 1382 S HN 1.101 nan 8.310 nan 0.000 0.507 1383 A N 1.871 124.686 122.820 -0.007 0.000 2.366 1383 A HA 0.493 4.814 4.320 0.003 0.000 0.322 1383 A C 1.157 178.740 177.584 -0.001 0.000 1.397 1383 A CA -0.492 51.544 52.037 -0.003 0.000 0.984 1383 A CB -0.137 18.866 19.000 0.006 0.000 1.149 1383 A HN 0.650 nan 8.150 nan 0.000 0.540 1384 L N 0.906 122.123 121.223 -0.010 0.000 1.997 1384 L HA -0.167 4.175 4.340 0.003 0.000 0.216 1384 L C 0.873 177.737 176.870 -0.010 0.000 1.074 1384 L CA 1.507 56.340 54.840 -0.011 0.000 0.763 1384 L CB -0.080 41.969 42.059 -0.018 0.000 0.890 1384 L HN 0.684 nan 8.230 nan 0.000 0.434 1385 E N -0.674 119.515 120.200 -0.018 0.000 2.222 1385 E HA 0.622 4.974 4.350 0.003 0.000 0.267 1385 E C -0.818 175.753 176.600 -0.047 0.000 0.884 1385 E CA -0.368 56.010 56.400 -0.037 0.000 0.764 1385 E CB 3.145 32.825 29.700 -0.033 0.000 1.169 1385 E HN 0.081 nan 8.360 nan 0.000 0.413 1386 I N 0.394 120.910 120.570 -0.091 0.000 3.149 1386 I HA 0.312 4.483 4.170 0.003 0.000 0.310 1386 I C -1.109 174.887 176.117 -0.202 0.000 1.343 1386 I CA -0.565 60.674 61.300 -0.101 0.000 0.955 1386 I CB 2.173 40.139 38.000 -0.057 0.000 1.309 1386 I HN 0.699 nan 8.210 nan 0.000 0.478 1387 S N 2.240 117.843 115.700 -0.162 0.000 2.693 1387 S HA 0.507 4.979 4.470 0.003 0.000 0.276 1387 S C -1.079 173.388 174.600 -0.221 0.000 1.192 1387 S CA -0.377 57.708 58.200 -0.192 0.000 0.994 1387 S CB 0.966 64.131 63.200 -0.058 0.000 1.012 1387 S HN 0.412 nan 8.310 nan 0.000 0.550 1388 Y N 1.105 121.390 120.300 -0.026 0.000 2.535 1388 Y HA 0.324 4.876 4.550 0.003 0.000 0.349 1388 Y C 0.484 176.372 175.900 -0.020 0.000 0.992 1388 Y CA -0.840 57.239 58.100 -0.036 0.000 1.248 1388 Y CB -0.328 38.107 38.460 -0.042 0.000 1.124 1388 Y HN 0.648 nan 8.280 nan 0.000 0.520 1389 N N 3.052 121.821 118.700 0.115 0.000 3.103 1389 N HA 0.376 5.118 4.740 0.003 0.000 0.305 1389 N C -0.195 175.361 175.510 0.077 0.000 1.232 1389 N CA 0.229 53.325 53.050 0.076 0.000 1.190 1389 N CB -0.055 38.464 38.487 0.054 0.000 1.461 1389 N HN 0.851 nan 8.380 nan 0.000 0.538 1390 G N 0.513 109.360 108.800 0.079 0.000 2.312 1390 G HA2 0.080 4.042 3.960 0.003 0.000 0.322 1390 G HA3 0.080 4.042 3.960 0.003 0.000 0.322 1390 G C -0.969 173.945 174.900 0.023 0.000 1.645 1390 G CA -1.097 44.032 45.100 0.049 0.000 0.919 1390 G HN 0.279 nan 8.290 nan 0.000 0.699 1391 E N 1.611 121.810 120.200 -0.001 0.000 2.392 1391 E HA 0.605 4.957 4.350 0.003 0.000 0.256 1391 E C -2.427 174.145 176.600 -0.046 0.000 1.145 1391 E CA -1.789 54.587 56.400 -0.040 0.000 0.929 1391 E CB -0.327 29.355 29.700 -0.030 0.000 0.998 1391 E HN 0.348 nan 8.360 nan 0.000 0.442 1392 P HA -0.042 nan 4.420 nan 0.000 0.265 1392 P C -0.592 176.725 177.300 0.029 0.000 1.187 1392 P CA 0.338 63.394 63.100 -0.074 0.000 0.766 1392 P CB 0.281 31.914 31.700 -0.111 0.000 0.820 1393 Q N 0.142 119.968 119.800 0.043 0.000 2.089 1393 Q HA 0.326 4.667 4.340 0.003 0.000 0.248 1393 Q C -0.751 175.240 176.000 -0.014 0.000 0.828 1393 Q CA -0.048 55.826 55.803 0.119 0.000 1.102 1393 Q CB 0.628 29.420 28.738 0.091 0.000 1.221 1393 Q HN 0.340 nan 8.270 nan 0.000 0.455 1394 S N -1.122 114.606 115.700 0.046 0.000 2.565 1394 S HA 0.103 4.575 4.470 0.003 0.000 0.274 1394 S C -0.933 173.753 174.600 0.144 0.000 1.144 1394 S CA -0.938 57.314 58.200 0.088 0.000 0.849 1394 S CB 0.676 63.926 63.200 0.083 0.000 1.103 1394 S HN 0.494 nan 8.310 nan 0.000 0.455 1395 W N 2.488 123.834 121.300 0.076 0.000 2.353 1395 W HA -0.123 4.539 4.660 0.003 0.000 0.319 1395 W C 1.606 178.176 176.519 0.086 0.000 1.207 1395 W CA 1.578 58.967 57.345 0.074 0.000 1.291 1395 W CB -0.460 29.046 29.460 0.078 0.000 1.159 1395 W HN 0.757 nan 8.180 nan 0.000 0.478 1396 F N 1.669 121.654 119.950 0.058 0.000 2.346 1396 F HA -0.247 4.282 4.527 0.003 0.000 0.301 1396 F C 2.102 177.742 175.800 -0.266 0.000 1.070 1396 F CA 2.283 60.167 58.000 -0.193 0.000 1.407 1396 F CB -0.467 38.589 39.000 0.093 0.000 1.072 1396 F HN 0.129 nan 8.300 nan 0.000 0.543 1397 Q N -0.745 118.913 119.800 -0.237 0.000 2.200 1397 Q HA 0.009 4.351 4.340 0.003 0.000 0.197 1397 Q C 2.281 178.072 176.000 -0.349 0.000 0.953 1397 Q CA 0.444 56.077 55.803 -0.285 0.000 0.851 1397 Q CB -0.172 28.494 28.738 -0.119 0.000 0.938 1397 Q HN 0.273 nan 8.270 nan 0.000 0.488 1398 R N 0.410 120.726 120.500 -0.307 0.000 2.249 1398 R HA -0.148 4.193 4.340 0.003 0.000 0.230 1398 R C 2.017 178.090 176.300 -0.378 0.000 1.121 1398 R CA 0.945 56.871 56.100 -0.290 0.000 0.997 1398 R CB 0.162 30.340 30.300 -0.202 0.000 0.867 1398 R HN 0.289 nan 8.270 nan 0.000 0.465 1399 Q N 0.279 119.744 119.800 -0.558 0.000 1.990 1399 Q HA -0.026 4.316 4.340 0.003 0.000 0.195 1399 Q C 2.313 178.059 176.000 -0.423 0.000 0.977 1399 Q CA 0.976 56.447 55.803 -0.553 0.000 0.828 1399 Q CB -0.434 27.808 28.738 -0.826 0.000 0.896 1399 Q HN 0.311 nan 8.270 nan 0.000 0.447 1400 L N 0.861 121.775 121.223 -0.514 0.000 2.127 1400 L HA -0.171 4.171 4.340 0.003 0.000 0.211 1400 L C 2.607 179.322 176.870 -0.259 0.000 1.089 1400 L CA 1.054 55.662 54.840 -0.387 0.000 0.757 1400 L CB -0.547 41.213 42.059 -0.499 0.000 0.899 1400 L HN 0.188 nan 8.230 nan 0.000 0.434 1401 R N 0.769 121.093 120.500 -0.294 0.000 2.133 1401 R HA -0.100 4.242 4.340 0.003 0.000 0.247 1401 R C 0.938 177.135 176.300 -0.171 0.000 1.151 1401 R CA 1.177 57.116 56.100 -0.269 0.000 0.971 1401 R CB -0.415 29.687 30.300 -0.331 0.000 0.866 1401 R HN 0.478 nan 8.270 nan 0.000 0.447 1402 G N -3.251 105.452 108.800 -0.162 0.000 2.728 1402 G HA2 0.003 3.964 3.960 0.003 0.000 0.294 1402 G HA3 0.003 3.964 3.960 0.003 0.000 0.294 1402 G C -0.081 174.765 174.900 -0.091 0.000 1.342 1402 G CA -0.199 44.840 45.100 -0.101 0.000 0.866 1402 G HN 0.627 nan 8.290 nan 0.000 0.534 1403 A N -0.411 122.377 122.820 -0.054 0.000 2.589 1403 A HA 0.602 4.924 4.320 0.003 0.000 0.283 1403 A C 0.814 178.399 177.584 0.001 0.000 1.187 1403 A CA 1.082 53.095 52.037 -0.040 0.000 0.957 1403 A CB 0.091 19.068 19.000 -0.037 0.000 1.175 1403 A HN 1.530 nan 8.150 nan 0.000 0.532 1404 Q N -1.328 118.483 119.800 0.018 0.000 2.395 1404 Q HA 0.158 4.499 4.340 0.003 0.000 0.271 1404 Q C 0.205 176.275 176.000 0.117 0.000 1.026 1404 Q CA 0.043 55.885 55.803 0.065 0.000 0.900 1404 Q CB -0.002 28.771 28.738 0.059 0.000 1.266 1404 Q HN 0.386 nan 8.270 nan 0.000 0.430 1405 Y N 0.422 120.719 120.300 -0.005 0.000 2.583 1405 Y HA 0.001 4.553 4.550 0.003 0.000 0.293 1405 Y C -0.159 175.747 175.900 0.011 0.000 1.157 1405 Y CA 0.445 58.544 58.100 -0.000 0.000 1.315 1405 Y CB 0.626 39.083 38.460 -0.006 0.000 1.021 1405 Y HN 0.593 nan 8.280 nan 0.000 0.536 1406 Q N 1.029 120.959 119.800 0.216 0.000 2.430 1406 Q HA 0.243 4.584 4.340 0.003 0.000 0.245 1406 Q C -2.122 173.951 176.000 0.121 0.000 1.021 1406 Q CA -2.299 53.592 55.803 0.147 0.000 0.867 1406 Q CB 1.176 29.969 28.738 0.093 0.000 1.210 1406 Q HN 0.029 nan 8.270 nan 0.000 0.487 1407 P HA -0.061 nan 4.420 nan 0.000 0.261 1407 P C -0.510 176.843 177.300 0.088 0.000 1.297 1407 P CA 0.319 63.540 63.100 0.202 0.000 0.757 1407 P CB 0.042 31.834 31.700 0.154 0.000 1.149 1408 I N 0.709 121.302 120.570 0.038 0.000 2.576 1408 I HA -0.056 4.116 4.170 0.003 0.000 0.288 1408 I C 0.784 176.803 176.117 -0.163 0.000 1.126 1408 I CA -0.660 60.598 61.300 -0.069 0.000 1.362 1408 I CB -0.736 37.255 38.000 -0.016 0.000 1.419 1408 I HN -0.050 nan 8.210 nan 0.000 0.533 1409 L N 9.019 129.982 121.223 -0.433 0.000 2.375 1409 L HA 0.291 4.633 4.340 0.003 0.000 0.276 1409 L C 0.523 177.289 176.870 -0.174 0.000 1.162 1409 L CA -0.080 54.464 54.840 -0.493 0.000 0.991 1409 L CB -0.302 41.207 42.059 -0.917 0.000 1.315 1409 L HN 0.425 nan 8.230 nan 0.000 0.431 1410 R N 3.606 124.071 120.500 -0.059 0.000 2.441 1410 R HA 0.261 4.603 4.340 0.003 0.000 0.284 1410 R C -0.136 176.179 176.300 0.025 0.000 1.070 1410 R CA -0.438 55.656 56.100 -0.009 0.000 1.047 1410 R CB 0.377 30.683 30.300 0.012 0.000 1.016 1410 R HN 0.555 nan 8.270 nan 0.000 0.477 1411 D N 1.114 121.528 120.400 0.022 0.000 2.723 1411 D HA -0.182 4.460 4.640 0.003 0.000 0.236 1411 D C -0.356 175.984 176.300 0.067 0.000 1.138 1411 D CA 1.024 55.037 54.000 0.021 0.000 0.676 1411 D CB -1.032 39.767 40.800 -0.003 0.000 1.069 1411 D HN 0.641 nan 8.370 nan 0.000 0.430 1412 H N 0.312 119.368 119.070 -0.024 0.000 2.638 1412 H HA 0.377 4.934 4.556 0.003 0.000 0.293 1412 H C 0.402 175.736 175.328 0.010 0.000 1.316 1412 H CA -0.342 55.706 56.048 0.001 0.000 1.099 1412 H CB -0.393 29.369 29.762 0.000 0.000 1.515 1412 H HN 0.429 nan 8.280 nan 0.000 0.505 1413 I N -1.113 119.412 120.570 -0.075 0.000 2.441 1413 I HA 0.453 4.625 4.170 0.003 0.000 0.295 1413 I C -0.198 175.885 176.117 -0.057 0.000 0.994 1413 I CA -1.171 60.079 61.300 -0.083 0.000 1.144 1413 I CB 1.375 39.353 38.000 -0.037 0.000 1.314 1413 I HN 0.237 nan 8.210 nan 0.000 0.445 1414 C N 2.875 122.156 119.300 -0.032 0.000 2.630 1414 C HA 0.628 5.090 4.460 0.003 0.000 0.346 1414 C C 0.300 175.326 174.990 0.059 0.000 1.245 1414 C CA -1.063 57.987 59.018 0.055 0.000 1.804 1414 C CB 1.358 29.118 27.740 0.033 0.000 2.279 1414 C HN 0.931 nan 8.230 nan 0.000 0.498 1415 K N 0.637 121.086 120.400 0.082 0.000 2.336 1415 K HA 0.184 4.506 4.320 0.003 0.000 0.262 1415 K C -0.438 176.173 176.600 0.019 0.000 0.992 1415 K CA 0.312 56.622 56.287 0.039 0.000 0.927 1415 K CB 0.249 32.747 32.500 -0.004 0.000 0.956 1415 K HN 0.753 nan 8.250 nan 0.000 0.495 1416 D N 2.455 122.863 120.400 0.013 0.000 2.499 1416 D HA 0.074 4.716 4.640 0.003 0.000 0.225 1416 D C -0.284 176.023 176.300 0.012 0.000 1.124 1416 D CA -0.370 53.636 54.000 0.012 0.000 0.938 1416 D CB 0.235 41.041 40.800 0.009 0.000 1.014 1416 D HN 0.241 nan 8.370 nan 0.000 0.517 1417 M N 1.187 120.797 119.600 0.016 0.000 2.252 1417 M HA 0.009 4.491 4.480 0.003 0.000 0.333 1417 M C 1.025 177.344 176.300 0.031 0.000 1.111 1417 M CA 0.049 55.363 55.300 0.024 0.000 1.140 1417 M CB 0.505 33.130 32.600 0.041 0.000 1.538 1417 M HN 0.281 nan 8.290 nan 0.000 0.448 1418 S N 1.429 117.150 115.700 0.036 0.000 2.559 1418 S HA 0.182 4.653 4.470 0.003 0.000 0.282 1418 S C 1.337 175.963 174.600 0.042 0.000 1.336 1418 S CA 0.195 58.417 58.200 0.036 0.000 1.037 1418 S CB 0.551 63.776 63.200 0.042 0.000 0.853 1418 S HN 0.684 nan 8.310 nan 0.000 0.523 1419 A N 3.755 126.595 122.820 0.033 0.000 1.940 1419 A HA -0.084 4.237 4.320 0.003 0.000 0.219 1419 A C 2.010 179.619 177.584 0.042 0.000 1.176 1419 A CA 1.784 53.840 52.037 0.032 0.000 0.631 1419 A CB -0.783 18.231 19.000 0.024 0.000 0.814 1419 A HN 0.900 nan 8.150 nan 0.000 0.446 1420 L N -0.154 121.097 121.223 0.046 0.000 2.072 1420 L HA -0.052 4.289 4.340 0.003 0.000 0.205 1420 L C 2.319 179.231 176.870 0.070 0.000 1.079 1420 L CA 1.854 56.725 54.840 0.052 0.000 0.752 1420 L CB -0.596 41.493 42.059 0.050 0.000 0.906 1420 L HN 0.133 nan 8.230 nan 0.000 0.436 1421 V N 0.425 120.395 119.914 0.094 0.000 2.343 1421 V HA -0.261 3.861 4.120 0.003 0.000 0.247 1421 V C 2.862 179.040 176.094 0.139 0.000 1.051 1421 V CA 1.515 63.908 62.300 0.156 0.000 1.036 1421 V CB -1.590 30.334 31.823 0.168 0.000 0.654 1421 V HN 0.595 nan 8.190 nan 0.000 0.451 1422 A N 0.034 122.910 122.820 0.093 0.000 1.978 1422 A HA -0.135 4.187 4.320 0.003 0.000 0.220 1422 A C 2.398 180.014 177.584 0.053 0.000 1.170 1422 A CA 2.154 54.234 52.037 0.072 0.000 0.636 1422 A CB -0.629 18.398 19.000 0.046 0.000 0.810 1422 A HN 0.580 nan 8.150 nan 0.000 0.448 1423 A N -0.047 122.813 122.820 0.067 0.000 1.854 1423 A HA -0.107 4.214 4.320 0.003 0.000 0.214 1423 A C 2.208 179.891 177.584 0.164 0.000 1.192 1423 A CA 1.348 53.447 52.037 0.103 0.000 0.611 1423 A CB -0.481 18.584 19.000 0.108 0.000 0.832 1423 A HN 0.538 nan 8.150 nan 0.000 0.442 1424 R N -0.718 119.835 120.500 0.090 0.000 2.103 1424 R HA -0.153 4.188 4.340 0.003 0.000 0.242 1424 R C 2.309 178.651 176.300 0.071 0.000 1.142 1424 R CA 1.931 58.035 56.100 0.008 0.000 0.960 1424 R CB -0.511 29.650 30.300 -0.232 0.000 0.858 1424 R HN 0.549 nan 8.270 nan 0.000 0.439 1425 M N 0.437 120.115 119.600 0.131 0.000 2.086 1425 M HA -0.153 4.328 4.480 0.003 0.000 0.261 1425 M C 2.300 178.669 176.300 0.115 0.000 1.067 1425 M CA 1.803 57.211 55.300 0.179 0.000 1.116 1425 M CB -0.414 32.307 32.600 0.203 0.000 1.348 1425 M HN 0.078 nan 8.290 nan 0.000 0.407 1426 R N -0.248 120.207 120.500 -0.074 0.000 2.249 1426 R HA -0.124 4.218 4.340 0.003 0.000 0.230 1426 R C 1.125 177.195 176.300 -0.382 0.000 1.121 1426 R CA 1.554 57.350 56.100 -0.506 0.000 0.997 1426 R CB -1.038 28.905 30.300 -0.595 0.000 0.867 1426 R HN 0.461 nan 8.270 nan 0.000 0.465 1427 H N -0.129 118.909 119.070 -0.054 0.000 2.537 1427 H HA 0.308 4.865 4.556 0.003 0.000 0.295 1427 H C -0.294 175.053 175.328 0.031 0.000 1.054 1427 H CA -0.158 55.888 56.048 -0.004 0.000 1.156 1427 H CB 0.125 29.890 29.762 0.004 0.000 1.468 1427 H HN 0.173 nan 8.280 nan 0.000 0.551 1428 I N 2.553 123.202 120.570 0.131 0.000 2.330 1428 I HA 0.215 4.387 4.170 0.003 0.000 0.289 1428 I C -2.202 173.969 176.117 0.090 0.000 1.001 1428 I CA -2.052 59.313 61.300 0.108 0.000 1.193 1428 I CB 1.864 39.940 38.000 0.126 0.000 1.345 1428 I HN -0.181 nan 8.210 nan 0.000 0.461 1429 P HA 0.029 nan 4.420 nan 0.000 0.264 1429 P C 0.686 178.001 177.300 0.024 0.000 1.183 1429 P CA 0.065 63.179 63.100 0.023 0.000 0.763 1429 P CB 0.546 32.229 31.700 -0.028 0.000 0.807 1430 L N 1.460 122.704 121.223 0.034 0.000 2.551 1430 L HA 0.013 4.355 4.340 0.003 0.000 0.228 1430 L C 1.162 178.041 176.870 0.014 0.000 1.153 1430 L CA 0.074 54.929 54.840 0.025 0.000 0.851 1430 L CB -0.671 41.418 42.059 0.049 0.000 0.959 1430 L HN 0.390 nan 8.230 nan 0.000 0.451 1431 A N 1.214 124.037 122.820 0.006 0.000 2.545 1431 A HA 0.210 4.532 4.320 0.003 0.000 0.253 1431 A C -2.044 175.527 177.584 -0.023 0.000 1.074 1431 A CA -0.969 51.066 52.037 -0.003 0.000 0.760 1431 A CB -0.655 18.336 19.000 -0.015 0.000 1.005 1431 A HN 0.004 nan 8.150 nan 0.000 0.506 1432 P HA 0.132 nan 4.420 nan 0.000 0.255 1432 P C 1.029 178.291 177.300 -0.063 0.000 1.161 1432 P CA 2.197 65.269 63.100 -0.046 0.000 0.768 1432 P CB 0.221 31.906 31.700 -0.025 0.000 0.746 1433 G N 1.765 110.515 108.800 -0.083 0.000 2.163 1433 G HA2 -0.198 3.764 3.960 0.003 0.000 0.213 1433 G HA3 -0.198 3.764 3.960 0.003 0.000 0.213 1433 G C 0.311 175.168 174.900 -0.071 0.000 0.991 1433 G CA -0.332 44.719 45.100 -0.082 0.000 0.653 1433 G HN 0.527 nan 8.290 nan 0.000 0.518 1434 S N 1.508 117.171 115.700 -0.061 0.000 2.565 1434 S HA 0.567 5.039 4.470 0.003 0.000 0.276 1434 S C 0.182 174.772 174.600 -0.016 0.000 1.326 1434 S CA 0.529 58.697 58.200 -0.054 0.000 1.045 1434 S CB 1.469 64.646 63.200 -0.038 0.000 0.918 1434 S HN 0.818 nan 8.310 nan 0.000 0.505 1435 D N 0.280 120.669 120.400 -0.018 0.000 2.825 1435 D HA 0.156 4.798 4.640 0.003 0.000 0.327 1435 D C 1.142 177.481 176.300 0.066 0.000 1.277 1435 D CA -0.867 53.187 54.000 0.091 0.000 0.950 1435 D CB -0.489 40.408 40.800 0.162 0.000 1.438 1435 D HN 0.589 nan 8.370 nan 0.000 0.526 1436 W N 0.893 122.225 121.300 0.054 0.000 2.308 1436 W HA -0.205 4.457 4.660 0.003 0.000 0.301 1436 W C 1.162 177.670 176.519 -0.018 0.000 1.220 1436 W CA 1.161 58.504 57.345 -0.003 0.000 1.240 1436 W CB -1.093 28.378 29.460 0.019 0.000 1.142 1436 W HN 0.327 nan 8.180 nan 0.000 0.521 1437 R N 0.747 120.506 120.500 -1.235 0.000 2.261 1437 R HA -0.129 4.212 4.340 0.003 0.000 0.236 1437 R C 0.446 176.431 176.300 -0.524 0.000 1.141 1437 R CA 1.560 56.946 56.100 -1.190 0.000 1.001 1437 R CB -0.383 29.273 30.300 -1.073 0.000 0.866 1437 R HN 0.111 nan 8.270 nan 0.000 0.468 1438 D N 0.129 120.340 120.400 -0.316 0.000 2.643 1438 D HA 0.139 4.780 4.640 0.003 0.000 0.244 1438 D C -0.265 175.973 176.300 -0.102 0.000 1.257 1438 D CA 0.067 53.950 54.000 -0.196 0.000 0.831 1438 D CB 0.295 40.980 40.800 -0.192 0.000 1.043 1438 D HN 0.094 nan 8.370 nan 0.000 0.488 1439 L N 1.289 122.503 121.223 -0.015 0.000 2.350 1439 L HA 0.333 4.675 4.340 0.003 0.000 0.275 1439 L C -2.153 174.841 176.870 0.207 0.000 1.099 1439 L CA -1.744 53.145 54.840 0.081 0.000 0.808 1439 L CB 1.115 43.202 42.059 0.046 0.000 1.149 1439 L HN -0.330 nan 8.230 nan 0.000 0.442 1440 P HA 0.040 nan 4.420 nan 0.000 0.271 1440 P C -0.879 176.416 177.300 -0.008 0.000 1.216 1440 P CA -0.196 62.991 63.100 0.144 0.000 0.771 1440 P CB 0.443 32.182 31.700 0.065 0.000 0.864 1441 N N 3.741 122.426 118.700 -0.025 0.000 3.083 1441 N HA 0.264 5.006 4.740 0.003 0.000 0.260 1441 N C -0.484 174.999 175.510 -0.045 0.000 1.163 1441 N CA -0.287 52.762 53.050 -0.001 0.000 1.060 1441 N CB -0.800 37.726 38.487 0.066 0.000 1.345 1441 N HN 0.308 nan 8.380 nan 0.000 0.515 1442 I N -2.986 117.539 120.570 -0.076 0.000 3.354 1442 I HA 0.624 4.796 4.170 0.003 0.000 0.316 1442 I C -0.787 175.291 176.117 -0.066 0.000 1.182 1442 I CA -1.081 60.175 61.300 -0.073 0.000 0.942 1442 I CB 1.982 39.928 38.000 -0.090 0.000 1.299 1442 I HN -0.020 nan 8.210 nan 0.000 0.473 1443 E N 1.210 121.384 120.200 -0.043 0.000 2.204 1443 E HA 0.694 5.046 4.350 0.003 0.000 0.276 1443 E C -1.392 175.197 176.600 -0.019 0.000 0.974 1443 E CA -0.879 55.505 56.400 -0.027 0.000 0.815 1443 E CB 2.840 32.533 29.700 -0.010 0.000 1.119 1443 E HN 0.405 nan 8.360 nan 0.000 0.393 1444 V N 2.240 122.151 119.914 -0.006 0.000 2.851 1444 V HA 0.297 4.419 4.120 0.003 0.000 0.307 1444 V C -0.384 175.728 176.094 0.030 0.000 1.129 1444 V CA -0.952 61.364 62.300 0.025 0.000 0.932 1444 V CB 2.112 33.976 31.823 0.067 0.000 1.024 1444 V HN 0.615 nan 8.190 nan 0.000 0.426 1445 R N 3.375 123.894 120.500 0.031 0.000 2.389 1445 R HA 0.567 4.909 4.340 0.003 0.000 0.295 1445 R C -0.766 175.552 176.300 0.030 0.000 1.075 1445 R CA -0.282 55.833 56.100 0.025 0.000 1.005 1445 R CB 0.469 30.780 30.300 0.019 0.000 0.987 1445 R HN 0.681 nan 8.270 nan 0.000 0.452 1446 L N 2.171 123.410 121.223 0.026 0.000 2.488 1446 L HA 0.209 4.550 4.340 0.003 0.000 0.249 1446 L C 1.610 178.491 176.870 0.018 0.000 1.151 1446 L CA -0.525 54.331 54.840 0.027 0.000 0.806 1446 L CB 1.155 43.231 42.059 0.027 0.000 1.261 1446 L HN 0.759 nan 8.230 nan 0.000 0.484 1447 S N -2.543 113.167 115.700 0.016 0.000 2.723 1447 S HA -0.054 4.417 4.470 0.003 0.000 0.231 1447 S C 0.299 174.905 174.600 0.011 0.000 0.967 1447 S CA 0.520 58.727 58.200 0.012 0.000 0.958 1447 S CB -0.499 62.707 63.200 0.011 0.000 0.778 1447 S HN 0.664 nan 8.310 nan 0.000 0.537 1448 D N -0.020 120.387 120.400 0.012 0.000 2.469 1448 D HA 0.375 5.017 4.640 0.003 0.000 0.215 1448 D C 1.512 177.817 176.300 0.008 0.000 1.154 1448 D CA 0.608 54.614 54.000 0.009 0.000 0.832 1448 D CB 0.494 41.300 40.800 0.009 0.000 1.008 1448 D HN 0.378 nan 8.370 nan 0.000 0.506 1449 G N 0.854 109.660 108.800 0.009 0.000 2.480 1449 G HA2 -0.353 3.609 3.960 0.003 0.000 0.246 1449 G HA3 -0.353 3.609 3.960 0.003 0.000 0.246 1449 G C 0.867 175.773 174.900 0.009 0.000 1.073 1449 G CA 0.908 46.013 45.100 0.008 0.000 0.643 1449 G HN 0.502 nan 8.290 nan 0.000 0.525 1450 T N 0.058 114.618 114.554 0.009 0.000 2.928 1450 T HA 0.544 4.895 4.350 0.003 0.000 0.305 1450 T C 0.492 175.200 174.700 0.013 0.000 1.035 1450 T CA 0.143 62.248 62.100 0.009 0.000 1.145 1450 T CB 1.002 69.875 68.868 0.008 0.000 0.963 1450 T HN 0.400 nan 8.240 nan 0.000 0.545 1451 M N 2.706 122.314 119.600 0.013 0.000 2.300 1451 M HA 0.520 5.002 4.480 0.003 0.000 0.348 1451 M C 0.271 176.580 176.300 0.016 0.000 1.151 1451 M CA -0.873 54.435 55.300 0.014 0.000 1.046 1451 M CB 1.758 34.365 32.600 0.011 0.000 1.647 1451 M HN 0.903 nan 8.290 nan 0.000 0.451 1452 A N 4.272 127.101 122.820 0.016 0.000 2.301 1452 A HA 0.623 4.945 4.320 0.003 0.000 0.298 1452 A C 0.020 177.610 177.584 0.010 0.000 1.185 1452 A CA -0.766 51.282 52.037 0.017 0.000 0.830 1452 A CB 0.507 19.516 19.000 0.016 0.000 1.112 1452 A HN 0.784 nan 8.150 nan 0.000 0.508 1453 R N 1.337 121.847 120.500 0.016 0.000 2.652 1453 R HA 0.348 4.690 4.340 0.003 0.000 0.272 1453 R C 0.150 176.455 176.300 0.007 0.000 1.162 1453 R CA -0.552 55.555 56.100 0.011 0.000 1.199 1453 R CB 0.187 30.498 30.300 0.018 0.000 1.166 1453 R HN 0.609 nan 8.270 nan 0.000 0.597 1454 K N 0.623 121.028 120.400 0.008 0.000 2.362 1454 K HA 0.388 4.710 4.320 0.003 0.000 0.245 1454 K C 0.021 176.631 176.600 0.016 0.000 1.040 1454 K CA -0.699 55.594 56.287 0.011 0.000 0.961 1454 K CB 0.407 32.916 32.500 0.015 0.000 1.252 1454 K HN 0.330 nan 8.250 nan 0.000 0.503 1455 L N 1.354 122.590 121.223 0.022 0.000 2.322 1455 L HA 0.398 4.739 4.340 0.003 0.000 0.279 1455 L C -0.413 176.441 176.870 -0.028 0.000 1.036 1455 L CA -0.839 53.984 54.840 -0.029 0.000 0.807 1455 L CB 1.434 43.437 42.059 -0.093 0.000 1.226 1455 L HN 0.376 nan 8.230 nan 0.000 0.433 1456 R N 2.332 122.784 120.500 -0.080 0.000 2.393 1456 R HA 0.300 4.641 4.340 0.003 0.000 0.315 1456 R C -1.519 174.726 176.300 -0.091 0.000 0.952 1456 R CA -0.343 55.749 56.100 -0.012 0.000 0.842 1456 R CB 0.679 30.982 30.300 0.006 0.000 1.163 1456 R HN 0.303 nan 8.270 nan 0.000 0.450 1457 Y N 2.926 123.232 120.300 0.011 0.000 2.817 1457 Y HA 0.135 4.686 4.550 0.003 0.000 0.339 1457 Y C 1.091 176.950 175.900 -0.069 0.000 1.281 1457 Y CA -0.490 57.616 58.100 0.009 0.000 1.564 1457 Y CB 0.494 38.975 38.460 0.034 0.000 1.628 1457 Y HN 0.585 nan 8.280 nan 0.000 0.489 1458 T N -2.338 112.140 114.554 -0.128 0.000 3.509 1458 T HA 0.116 4.467 4.350 0.003 0.000 0.250 1458 T C 0.216 174.525 174.700 -0.652 0.000 1.076 1458 T CA 0.261 62.148 62.100 -0.355 0.000 0.966 1458 T CB -0.610 68.000 68.868 -0.431 0.000 1.046 1458 T HN 0.359 nan 8.240 nan 0.000 0.591 1459 H N -0.598 118.549 119.070 0.129 0.000 2.943 1459 H HA 0.461 5.018 4.556 0.003 0.000 0.323 1459 H C -1.165 174.262 175.328 0.164 0.000 1.296 1459 H CA -0.819 55.305 56.048 0.127 0.000 1.155 1459 H CB 1.253 31.073 29.762 0.097 0.000 1.882 1459 H HN 0.276 nan 8.280 nan 0.000 0.553 1460 H N 0.710 119.899 119.070 0.200 0.000 2.622 1460 H HA 0.193 4.750 4.556 0.003 0.000 0.363 1460 H C -1.259 174.128 175.328 0.099 0.000 1.151 1460 H CA -0.384 55.733 56.048 0.114 0.000 1.184 1460 H CB 2.154 31.959 29.762 0.070 0.000 1.643 1460 H HN 0.574 nan 8.280 nan 0.000 0.531 1461 D N 3.649 123.689 120.400 -0.600 0.000 2.441 1461 D HA 0.112 4.754 4.640 0.003 0.000 0.231 1461 D C 0.628 176.706 176.300 -0.371 0.000 1.073 1461 D CA -0.499 53.320 54.000 -0.302 0.000 0.850 1461 D CB 0.831 41.541 40.800 -0.151 0.000 1.062 1461 D HN 0.473 nan 8.370 nan 0.000 0.524 1462 R N 2.607 123.114 120.500 0.012 0.000 2.366 1462 R HA -0.091 4.250 4.340 0.003 0.000 0.201 1462 R C 0.760 177.086 176.300 0.044 0.000 1.057 1462 R CA 0.456 56.647 56.100 0.152 0.000 1.086 1462 R CB 0.119 30.514 30.300 0.157 0.000 0.914 1462 R HN 0.243 nan 8.270 nan 0.000 0.476 1463 K N -1.016 119.371 120.400 -0.021 0.000 2.517 1463 K HA 0.161 4.482 4.320 0.003 0.000 0.210 1463 K C 0.294 176.869 176.600 -0.042 0.000 1.166 1463 K CA 0.199 56.474 56.287 -0.020 0.000 1.030 1463 K CB 0.615 33.111 32.500 -0.007 0.000 0.974 1463 K HN -0.076 nan 8.250 nan 0.000 0.585 1464 N N -0.780 117.862 118.700 -0.096 0.000 2.325 1464 N HA 0.245 4.987 4.740 0.003 0.000 0.220 1464 N C 0.378 175.750 175.510 -0.231 0.000 1.176 1464 N CA 0.712 53.675 53.050 -0.145 0.000 0.861 1464 N CB 1.244 39.669 38.487 -0.103 0.000 1.230 1464 N HN 0.218 nan 8.380 nan 0.000 0.479 1465 G N 1.251 109.903 108.800 -0.248 0.000 2.525 1465 G HA2 -0.277 3.684 3.960 0.003 0.000 0.248 1465 G HA3 -0.277 3.684 3.960 0.003 0.000 0.248 1465 G C -0.491 174.278 174.900 -0.218 0.000 1.238 1465 G CA 0.327 45.326 45.100 -0.168 0.000 0.926 1465 G HN 0.571 nan 8.290 nan 0.000 0.574 1466 R N -0.326 120.102 120.500 -0.119 0.000 2.810 1466 R HA 0.860 5.201 4.340 0.003 0.000 0.245 1466 R C 0.616 176.801 176.300 -0.192 0.000 1.168 1466 R CA -0.028 55.998 56.100 -0.122 0.000 1.096 1466 R CB 0.385 30.669 30.300 -0.028 0.000 1.259 1466 R HN 1.112 nan 8.270 nan 0.000 0.518 1467 S N -0.879 114.716 115.700 -0.173 0.000 2.655 1467 S HA 0.133 4.605 4.470 0.003 0.000 0.265 1467 S C 0.555 175.092 174.600 -0.105 0.000 1.240 1467 S CA -0.338 57.761 58.200 -0.168 0.000 0.986 1467 S CB 0.491 63.603 63.200 -0.146 0.000 0.985 1467 S HN 0.568 nan 8.310 nan 0.000 0.562 1468 S N 1.196 116.848 115.700 -0.080 0.000 2.465 1468 S HA -0.069 4.403 4.470 0.003 0.000 0.241 1468 S C 1.301 175.873 174.600 -0.046 0.000 1.000 1468 S CA 1.147 59.316 58.200 -0.052 0.000 0.964 1468 S CB -0.320 62.858 63.200 -0.036 0.000 0.763 1468 S HN 0.795 nan 8.310 nan 0.000 0.512 1469 S N -0.064 115.604 115.700 -0.053 0.000 2.588 1469 S HA 0.507 4.979 4.470 0.003 0.000 0.245 1469 S C 1.101 175.675 174.600 -0.044 0.000 1.021 1469 S CA 0.086 58.259 58.200 -0.045 0.000 1.006 1469 S CB 0.194 63.367 63.200 -0.046 0.000 0.830 1469 S HN 0.585 nan 8.310 nan 0.000 0.468 1470 G N 0.855 109.627 108.800 -0.047 0.000 2.203 1470 G HA2 -0.167 3.795 3.960 0.003 0.000 0.263 1470 G HA3 -0.167 3.795 3.960 0.003 0.000 0.263 1470 G C 0.359 175.236 174.900 -0.038 0.000 1.012 1470 G CA 0.040 45.118 45.100 -0.036 0.000 0.749 1470 G HN 1.302 nan 8.290 nan 0.000 0.512 1471 A N -0.791 121.989 122.820 -0.067 0.000 2.322 1471 A HA 0.774 5.096 4.320 0.003 0.000 0.269 1471 A C 0.590 178.118 177.584 -0.094 0.000 1.094 1471 A CA -0.349 51.641 52.037 -0.079 0.000 0.807 1471 A CB 0.500 19.429 19.000 -0.118 0.000 1.047 1471 A HN 0.771 nan 8.150 nan 0.000 0.487 1472 L N 0.704 121.893 121.223 -0.055 0.000 2.464 1472 L HA 0.389 4.731 4.340 0.003 0.000 0.264 1472 L C 1.472 178.272 176.870 -0.116 0.000 1.199 1472 L CA 0.751 55.585 54.840 -0.010 0.000 0.818 1472 L CB 0.253 42.367 42.059 0.092 0.000 1.102 1472 L HN 0.831 nan 8.230 nan 0.000 0.473 1473 R N -0.001 120.485 120.500 -0.024 0.000 2.549 1473 R HA 0.266 4.607 4.340 0.003 0.000 0.361 1473 R C 0.161 176.685 176.300 0.373 0.000 0.969 1473 R CA -0.162 55.967 56.100 0.048 0.000 1.158 1473 R CB 0.935 31.189 30.300 -0.077 0.000 1.456 1473 R HN 0.783 nan 8.270 nan 0.000 0.540 1474 G N 0.122 109.108 108.800 0.310 0.000 2.338 1474 G HA2 0.280 4.242 3.960 0.003 0.000 0.298 1474 G HA3 0.280 4.242 3.960 0.003 0.000 0.298 1474 G C 0.457 175.512 174.900 0.258 0.000 1.140 1474 G CA -0.430 44.827 45.100 0.262 0.000 0.860 1474 G HN 0.014 nan 8.290 nan 0.000 0.470 1475 V N 2.129 122.089 119.914 0.077 0.000 2.575 1475 V HA 0.158 4.280 4.120 0.003 0.000 0.242 1475 V C 1.045 177.157 176.094 0.030 0.000 1.045 1475 V CA 1.067 63.297 62.300 -0.116 0.000 1.065 1475 V CB -0.269 31.251 31.823 -0.504 0.000 0.717 1475 V HN 0.710 nan 8.190 nan 0.000 0.467 1476 C N 0.805 120.029 119.300 -0.128 0.000 2.470 1476 C HA 0.602 5.064 4.460 0.003 0.000 0.341 1476 C C 2.002 176.727 174.990 -0.441 0.000 1.190 1476 C CA -0.010 58.894 59.018 -0.190 0.000 1.904 1476 C CB 1.442 28.931 27.740 -0.419 0.000 2.354 1476 C HN 0.653 nan 8.230 nan 0.000 0.509 1477 S N 1.116 116.457 115.700 -0.598 0.000 2.803 1477 S HA -0.056 4.416 4.470 0.003 0.000 0.226 1477 S C 0.998 175.464 174.600 -0.223 0.000 0.962 1477 S CA 0.676 58.507 58.200 -0.616 0.000 0.968 1477 S CB -1.140 61.840 63.200 -0.366 0.000 0.786 1477 S HN 1.020 nan 8.310 nan 0.000 0.527 1478 C N -1.736 117.484 119.300 -0.133 0.000 2.964 1478 C HA 0.479 4.940 4.460 0.003 0.000 0.358 1478 C C 1.168 176.163 174.990 0.009 0.000 1.289 1478 C CA -0.261 58.746 59.018 -0.019 0.000 1.856 1478 C CB -1.296 26.478 27.740 0.057 0.000 2.488 1478 C HN 0.350 nan 8.230 nan 0.000 0.604 1485 C N 1.637 120.969 119.300 0.053 0.000 2.648 1485 C HA 0.417 4.879 4.460 0.003 0.000 0.419 1485 C C 0.478 175.486 174.990 0.029 0.000 1.352 1485 C CA 0.373 59.428 59.018 0.062 0.000 1.816 1485 C CB -0.523 27.300 27.740 0.137 0.000 2.598 1485 C HN 0.743 nan 8.230 nan 0.000 0.598 1486 D N 3.599 124.003 120.400 0.006 0.000 2.485 1486 D HA 0.261 4.903 4.640 0.003 0.000 0.221 1486 D C -1.374 174.924 176.300 -0.002 0.000 1.112 1486 D CA -2.072 51.930 54.000 0.003 0.000 0.911 1486 D CB 0.882 41.681 40.800 -0.001 0.000 1.019 1486 D HN 0.245 nan 8.370 nan 0.000 0.516 1487 P HA -0.171 nan 4.420 nan 0.000 0.218 1487 P C 0.813 178.070 177.300 -0.072 0.000 1.147 1487 P CA 1.111 64.185 63.100 -0.044 0.000 0.827 1487 P CB 0.305 31.991 31.700 -0.023 0.000 0.778 1488 A N -0.736 122.062 122.820 -0.035 0.000 2.167 1488 A HA 0.198 4.520 4.320 0.003 0.000 0.214 1488 A C 2.054 179.617 177.584 -0.036 0.000 1.151 1488 A CA 1.136 53.157 52.037 -0.026 0.000 0.735 1488 A CB -0.959 18.042 19.000 0.002 0.000 0.802 1488 A HN 0.201 nan 8.150 nan 0.000 0.467 1489 A N 0.311 123.118 122.820 -0.021 0.000 2.251 1489 A HA 0.160 4.482 4.320 0.003 0.000 0.209 1489 A C 1.302 178.837 177.584 -0.082 0.000 1.187 1489 A CA -0.102 51.972 52.037 0.062 0.000 0.823 1489 A CB -0.299 18.819 19.000 0.198 0.000 0.846 1489 A HN 0.490 nan 8.150 nan 0.000 0.486 1490 R N 0.977 121.186 120.500 -0.485 0.000 2.543 1490 R HA 0.330 4.672 4.340 0.003 0.000 0.277 1490 R C -1.217 174.335 176.300 -1.247 0.000 1.074 1490 R CA 0.233 55.488 56.100 -1.408 0.000 1.076 1490 R CB -0.161 29.335 30.300 -1.339 0.000 0.993 1490 R HN 0.409 nan 8.270 nan 0.000 0.459 1491 Q N 2.257 121.086 119.800 -1.619 0.000 2.356 1491 Q HA 0.508 4.849 4.340 0.003 0.000 0.270 1491 Q C -1.144 174.343 176.000 -0.856 0.000 1.058 1491 Q CA -0.579 54.734 55.803 -0.818 0.000 0.802 1491 Q CB 2.101 30.713 28.738 -0.209 0.000 1.303 1491 Q HN 0.548 nan 8.270 nan 0.000 0.444 1492 F N 0.204 120.071 119.950 -0.138 0.000 2.613 1492 F HA 0.393 4.922 4.527 0.003 0.000 0.342 1492 F C 0.913 176.694 175.800 -0.032 0.000 1.066 1492 F CA -1.181 56.771 58.000 -0.080 0.000 1.002 1492 F CB 0.780 39.725 39.000 -0.091 0.000 1.319 1492 F HN 0.575 nan 8.300 nan 0.000 0.495 1493 N N 1.157 119.973 118.700 0.193 0.000 2.688 1493 N HA -0.219 4.523 4.740 0.003 0.000 0.258 1493 N C -0.859 174.691 175.510 0.067 0.000 1.016 1493 N CA 0.918 54.030 53.050 0.104 0.000 0.747 1493 N CB -0.654 37.883 38.487 0.085 0.000 0.895 1493 N HN 0.838 nan 8.380 nan 0.000 0.543 1494 T N 0.194 114.782 114.554 0.057 0.000 2.893 1494 T HA 0.434 4.786 4.350 0.003 0.000 0.291 1494 T C 1.593 176.300 174.700 0.012 0.000 1.028 1494 T CA -0.644 61.475 62.100 0.032 0.000 0.995 1494 T CB 1.390 70.281 68.868 0.038 0.000 1.051 1494 T HN 0.186 nan 8.240 nan 0.000 0.470 1495 L N 3.285 124.501 121.223 -0.012 0.000 1.956 1495 L HA 0.093 4.435 4.340 0.003 0.000 0.216 1495 L C 0.913 177.757 176.870 -0.044 0.000 1.073 1495 L CA 1.470 56.282 54.840 -0.046 0.000 0.762 1495 L CB -0.096 41.910 42.059 -0.088 0.000 0.889 1495 L HN 0.649 nan 8.230 nan 0.000 0.433 1496 I N 1.084 121.655 120.570 0.002 0.000 2.347 1496 I HA 0.088 4.259 4.170 0.003 0.000 0.294 1496 I C -2.043 174.102 176.117 0.047 0.000 1.090 1496 I CA -1.850 59.485 61.300 0.058 0.000 1.314 1496 I CB 0.463 38.538 38.000 0.124 0.000 1.423 1496 I HN -0.052 nan 8.210 nan 0.000 0.503 1497 P HA -0.167 nan 4.420 nan 0.000 0.256 1497 P C 0.336 177.645 177.300 0.015 0.000 1.173 1497 P CA 0.372 63.469 63.100 -0.006 0.000 0.768 1497 P CB 0.269 31.911 31.700 -0.097 0.000 0.758 1498 W N 6.129 127.357 121.300 -0.120 0.000 2.304 1498 W HA -0.356 4.306 4.660 0.003 0.000 0.315 1498 W C 2.027 178.489 176.519 -0.095 0.000 1.233 1498 W CA 2.183 59.445 57.345 -0.139 0.000 1.261 1498 W CB -0.929 28.402 29.460 -0.216 0.000 1.150 1498 W HN 0.500 nan 8.180 nan 0.000 0.494 1499 C N -0.087 119.296 119.300 0.139 0.000 2.393 1499 C HA -0.259 4.203 4.460 0.003 0.000 0.276 1499 C C 2.635 177.453 174.990 -0.288 0.000 1.215 1499 C CA 1.327 60.323 59.018 -0.037 0.000 1.743 1499 C CB -1.678 26.097 27.740 0.058 0.000 2.044 1499 C HN 0.496 nan 8.230 nan 0.000 0.464 1500 L N 1.542 122.500 121.223 -0.442 0.000 1.997 1500 L HA -0.175 4.166 4.340 0.003 0.000 0.227 1500 L C 0.069 176.811 176.870 -0.213 0.000 1.087 1500 L CA 2.569 56.991 54.840 -0.695 0.000 0.797 1500 L CB -2.039 39.247 42.059 -1.287 0.000 0.902 1500 L HN 0.201 nan 8.230 nan 0.000 0.441 1501 P HA -0.171 nan 4.420 nan 0.000 0.220 1501 P C 1.360 178.700 177.300 0.067 0.000 1.148 1501 P CA 1.407 64.614 63.100 0.178 0.000 0.803 1501 P CB -0.164 31.626 31.700 0.150 0.000 0.782 1502 H N -0.268 118.615 119.070 -0.310 0.000 2.267 1502 H HA -0.124 4.433 4.556 0.003 0.000 0.297 1502 H C 1.597 176.869 175.328 -0.093 0.000 1.080 1502 H CA 2.213 58.032 56.048 -0.382 0.000 1.278 1502 H CB -0.027 29.271 29.762 -0.773 0.000 1.365 1502 H HN 0.121 nan 8.280 nan 0.000 0.489 1503 T N -2.750 111.786 114.554 -0.031 0.000 3.044 1503 T HA 0.135 4.487 4.350 0.003 0.000 0.255 1503 T C 2.243 177.139 174.700 0.326 0.000 1.073 1503 T CA 0.566 62.718 62.100 0.088 0.000 1.125 1503 T CB -0.612 68.442 68.868 0.310 0.000 0.908 1503 T HN 0.493 nan 8.240 nan 0.000 0.480 1504 G N 3.031 112.153 108.800 0.537 0.000 2.984 1504 G HA2 -0.451 3.510 3.960 0.003 0.000 0.239 1504 G HA3 -0.451 3.510 3.960 0.003 0.000 0.239 1504 G C 1.540 176.535 174.900 0.159 0.000 1.090 1504 G CA 1.581 46.967 45.100 0.478 0.000 0.731 1504 G HN 0.588 nan 8.290 nan 0.000 0.659 1505 N N 0.298 119.066 118.700 0.114 0.000 2.519 1505 N HA -0.043 4.699 4.740 0.003 0.000 0.186 1505 N C 1.733 177.146 175.510 -0.162 0.000 1.062 1505 N CA 0.842 53.894 53.050 0.004 0.000 0.910 1505 N CB -0.044 38.473 38.487 0.050 0.000 0.958 1505 N HN 0.473 nan 8.380 nan 0.000 0.445 1506 R N -0.561 119.790 120.500 -0.248 0.000 2.590 1506 R HA 0.176 4.518 4.340 0.003 0.000 0.410 1506 R C -0.261 175.638 176.300 -0.668 0.000 1.010 1506 R CA -0.117 55.739 56.100 -0.405 0.000 1.155 1506 R CB 0.611 30.673 30.300 -0.396 0.000 1.455 1506 R HN 0.181 nan 8.270 nan 0.000 0.567 1507 H N -0.124 118.668 119.070 -0.463 0.000 2.767 1507 H HA 0.144 4.701 4.556 0.003 0.000 0.235 1507 H C -0.253 174.682 175.328 -0.655 0.000 1.256 1507 H CA -0.518 55.110 56.048 -0.699 0.000 0.957 1507 H CB 0.410 29.353 29.762 -1.365 0.000 2.117 1507 H HN 0.120 nan 8.280 nan 0.000 0.602 1508 N N 1.708 120.159 118.700 -0.415 0.000 2.741 1508 N HA -0.258 4.483 4.740 0.003 0.000 0.250 1508 N C -0.438 174.956 175.510 -0.193 0.000 1.115 1508 N CA 1.086 53.935 53.050 -0.335 0.000 0.724 1508 N CB -1.471 36.912 38.487 -0.174 0.000 1.090 1508 N HN 0.603 nan 8.380 nan 0.000 0.558 1509 H N -3.754 115.317 119.070 0.001 0.000 2.899 1509 H HA -0.219 4.338 4.556 0.003 0.000 0.282 1509 H C 0.143 175.757 175.328 0.477 0.000 1.198 1509 H CA 1.196 57.391 56.048 0.244 0.000 1.140 1509 H CB -2.069 27.797 29.762 0.173 0.000 1.317 1509 H HN 0.649 nan 8.280 nan 0.000 0.375 1510 W N -1.366 120.094 121.300 0.267 0.000 6.502 1510 W HA -0.166 4.496 4.660 0.003 0.000 0.383 1510 W C 1.054 177.764 176.519 0.319 0.000 1.377 1510 W CA 0.734 58.182 57.345 0.171 0.000 1.064 1510 W CB -1.762 27.648 29.460 -0.084 0.000 2.497 1510 W HN 0.665 nan 8.180 nan 0.000 1.636 1511 A N 0.574 123.650 122.820 0.427 0.000 2.561 1511 A HA 0.416 4.738 4.320 0.003 0.000 0.251 1511 A C 1.482 179.216 177.584 0.250 0.000 1.062 1511 A CA 1.561 53.793 52.037 0.325 0.000 0.761 1511 A CB -0.252 18.859 19.000 0.184 0.000 0.986 1511 A HN 1.500 nan 8.150 nan 0.000 0.510 1512 G N 1.639 110.592 108.800 0.256 0.000 2.561 1512 G HA2 -0.163 3.798 3.960 0.003 0.000 0.203 1512 G HA3 -0.163 3.798 3.960 0.003 0.000 0.203 1512 G C 0.245 175.262 174.900 0.194 0.000 1.101 1512 G CA -0.201 44.997 45.100 0.163 0.000 0.711 1512 G HN 0.793 nan 8.290 nan 0.000 0.511 1513 L N 1.024 122.395 121.223 0.248 0.000 2.593 1513 L HA 0.112 4.454 4.340 0.003 0.000 0.287 1513 L C 1.486 178.528 176.870 0.287 0.000 1.243 1513 L CA 1.268 56.200 54.840 0.152 0.000 0.890 1513 L CB -0.975 41.096 42.059 0.020 0.000 1.134 1513 L HN 0.603 nan 8.230 nan 0.000 0.502 1514 Y N -0.024 120.310 120.300 0.057 0.000 4.079 1514 Y HA -0.222 4.329 4.550 0.003 0.000 0.223 1514 Y C 1.192 177.153 175.900 0.101 0.000 1.155 1514 Y CA 0.966 59.114 58.100 0.081 0.000 1.805 1514 Y CB -1.398 37.139 38.460 0.127 0.000 1.571 1514 Y HN 0.730 nan 8.280 nan 0.000 0.654 1515 G N 0.248 109.158 108.800 0.183 0.000 2.477 1515 G HA2 0.670 4.632 3.960 0.003 0.000 0.304 1515 G HA3 0.670 4.632 3.960 0.003 0.000 0.304 1515 G C -0.332 174.577 174.900 0.015 0.000 1.175 1515 G CA -1.048 44.114 45.100 0.102 0.000 0.907 1515 G HN 0.199 nan 8.290 nan 0.000 0.509 1516 R N -0.342 120.139 120.500 -0.031 0.000 2.540 1516 R HA 0.398 4.740 4.340 0.003 0.000 0.287 1516 R C -0.401 175.777 176.300 -0.203 0.000 0.980 1516 R CA -0.735 55.303 56.100 -0.103 0.000 0.966 1516 R CB 1.782 32.034 30.300 -0.080 0.000 1.106 1516 R HN 0.300 nan 8.270 nan 0.000 0.480 1517 L N 2.816 123.846 121.223 -0.321 0.000 2.367 1517 L HA 0.144 4.486 4.340 0.003 0.000 0.275 1517 L C 0.728 177.317 176.870 -0.469 0.000 1.129 1517 L CA -0.085 54.488 54.840 -0.446 0.000 0.839 1517 L CB 0.453 42.110 42.059 -0.669 0.000 1.133 1517 L HN 0.620 nan 8.230 nan 0.000 0.453 1518 E N 1.975 121.949 120.200 -0.376 0.000 2.216 1518 E HA 0.062 4.414 4.350 0.003 0.000 0.279 1518 E C -0.052 176.397 176.600 -0.251 0.000 0.997 1518 E CA -0.713 55.511 56.400 -0.293 0.000 0.817 1518 E CB 0.816 30.416 29.700 -0.167 0.000 1.096 1518 E HN 0.510 nan 8.360 nan 0.000 0.393 1519 W N 2.405 123.640 121.300 -0.109 0.000 2.305 1519 W HA -0.223 4.439 4.660 0.003 0.000 0.308 1519 W C 1.396 177.863 176.519 -0.087 0.000 1.226 1519 W CA 1.213 58.498 57.345 -0.100 0.000 1.253 1519 W CB -0.065 29.338 29.460 -0.095 0.000 1.146 1519 W HN 0.612 nan 8.180 nan 0.000 0.507 1520 D N -0.782 119.709 120.400 0.151 0.000 2.347 1520 D HA 0.024 4.665 4.640 0.003 0.000 0.215 1520 D C 1.656 177.980 176.300 0.040 0.000 0.976 1520 D CA 1.076 55.130 54.000 0.090 0.000 0.884 1520 D CB -0.573 40.276 40.800 0.081 0.000 0.915 1520 D HN 0.135 nan 8.370 nan 0.000 0.526 1521 G N 0.407 109.169 108.800 -0.063 0.000 2.580 1521 G HA2 0.420 4.381 3.960 0.003 0.000 0.225 1521 G HA3 0.420 4.381 3.960 0.003 0.000 0.225 1521 G C -0.357 174.505 174.900 -0.062 0.000 1.521 1521 G CA -0.380 44.575 45.100 -0.242 0.000 1.068 1521 G HN 0.196 nan 8.290 nan 0.000 0.564 1522 F N -3.517 116.419 119.950 -0.023 0.000 2.672 1522 F HA 0.549 5.077 4.527 0.003 0.000 0.311 1522 F C -0.781 175.108 175.800 0.148 0.000 1.113 1522 F CA -2.092 55.972 58.000 0.107 0.000 0.996 1522 F CB 0.418 39.484 39.000 0.110 0.000 1.286 1522 F HN 0.379 nan 8.300 nan 0.000 0.441 1523 F N 1.526 121.577 119.950 0.167 0.000 2.628 1523 F HA 0.232 4.761 4.527 0.003 0.000 0.362 1523 F C 1.166 177.074 175.800 0.181 0.000 1.148 1523 F CA 0.468 58.526 58.000 0.098 0.000 1.352 1523 F CB 0.428 39.478 39.000 0.083 0.000 1.081 1523 F HN 0.572 nan 8.300 nan 0.000 0.605 1524 S N 0.513 116.365 115.700 0.254 0.000 2.632 1524 S HA 0.121 4.592 4.470 0.003 0.000 0.271 1524 S C -0.188 174.530 174.600 0.195 0.000 1.260 1524 S CA -0.964 57.364 58.200 0.212 0.000 1.010 1524 S CB 1.041 64.304 63.200 0.104 0.000 0.965 1524 S HN 0.615 nan 8.310 nan 0.000 0.534 1525 T N 3.716 118.359 114.554 0.148 0.000 2.328 1525 T HA -0.078 4.273 4.350 0.003 0.000 0.214 1525 T C 0.456 175.208 174.700 0.086 0.000 1.138 1525 T CA 0.579 62.736 62.100 0.095 0.000 2.037 1525 T CB -1.063 67.839 68.868 0.056 0.000 1.069 1525 T HN 0.620 nan 8.240 nan 0.000 0.439 1526 T N 3.576 118.187 114.554 0.094 0.000 2.939 1526 T HA 0.190 4.541 4.350 0.003 0.000 0.312 1526 T C 0.627 175.352 174.700 0.043 0.000 1.064 1526 T CA -0.293 61.858 62.100 0.084 0.000 1.136 1526 T CB 0.711 69.610 68.868 0.051 0.000 1.035 1526 T HN 0.446 nan 8.240 nan 0.000 0.538 1527 V N 2.465 122.401 119.914 0.035 0.000 3.181 1527 V HA 0.500 4.621 4.120 0.003 0.000 0.314 1527 V C 1.479 177.575 176.094 0.003 0.000 1.173 1527 V CA -0.001 62.300 62.300 0.003 0.000 1.052 1527 V CB 2.129 33.941 31.823 -0.018 0.000 1.123 1527 V HN 1.093 nan 8.190 nan 0.000 0.454 1528 T N -0.392 114.149 114.554 -0.022 0.000 3.088 1528 T HA 0.166 4.518 4.350 0.003 0.000 0.259 1528 T C 0.520 175.212 174.700 -0.014 0.000 1.122 1528 T CA 0.538 62.630 62.100 -0.013 0.000 1.095 1528 T CB -0.270 68.563 68.868 -0.059 0.000 0.930 1528 T HN 0.526 nan 8.240 nan 0.000 0.508 1529 N N 1.565 120.221 118.700 -0.074 0.000 2.699 1529 N HA 0.276 5.017 4.740 0.003 0.000 0.271 1529 N C -3.526 171.865 175.510 -0.198 0.000 1.216 1529 N CA -1.018 51.940 53.050 -0.154 0.000 0.844 1529 N CB 2.027 40.452 38.487 -0.104 0.000 1.462 1529 N HN -0.028 nan 8.380 nan 0.000 0.555 1530 P HA 0.181 nan 4.420 nan 0.000 0.266 1530 P C -0.954 176.222 177.300 -0.207 0.000 1.215 1530 P CA 0.474 63.432 63.100 -0.236 0.000 0.763 1530 P CB 0.537 32.071 31.700 -0.278 0.000 0.806 1531 E N 4.773 124.864 120.200 -0.180 0.000 2.294 1531 E HA 0.162 4.514 4.350 0.003 0.000 0.272 1531 E C -2.025 174.412 176.600 -0.272 0.000 0.896 1531 E CA -1.915 54.364 56.400 -0.202 0.000 0.802 1531 E CB 1.790 31.390 29.700 -0.168 0.000 1.267 1531 E HN 0.127 nan 8.360 nan 0.000 0.406 1532 P HA -0.169 nan 4.420 nan 0.000 0.219 1532 P C 0.892 177.821 177.300 -0.618 0.000 1.153 1532 P CA 1.661 64.335 63.100 -0.710 0.000 0.865 1532 P CB 0.220 31.051 31.700 -1.447 0.000 0.788 1533 M N -1.796 117.521 119.600 -0.471 0.000 2.475 1533 M HA 0.202 4.684 4.480 0.003 0.000 0.261 1533 M C 0.827 176.983 176.300 -0.239 0.000 1.177 1533 M CA -0.333 54.765 55.300 -0.337 0.000 0.979 1533 M CB 0.309 32.727 32.600 -0.302 0.000 1.482 1533 M HN -0.170 nan 8.290 nan 0.000 0.484 1534 G N 0.845 109.537 108.800 -0.181 0.000 2.415 1534 G HA2 0.262 4.223 3.960 0.003 0.000 0.269 1534 G HA3 0.262 4.223 3.960 0.003 0.000 0.269 1534 G C 0.633 175.513 174.900 -0.035 0.000 1.209 1534 G CA -0.616 44.421 45.100 -0.106 0.000 0.835 1534 G HN 0.337 nan 8.290 nan 0.000 0.534 1535 K N 0.884 121.291 120.400 0.012 0.000 2.037 1535 K HA -0.269 4.053 4.320 0.003 0.000 0.229 1535 K C 1.417 178.049 176.600 0.054 0.000 1.040 1535 K CA 1.540 57.867 56.287 0.068 0.000 0.981 1535 K CB -0.325 32.192 32.500 0.029 0.000 0.749 1535 K HN 0.452 nan 8.250 nan 0.000 0.451 1536 Q N 1.157 120.969 119.800 0.020 0.000 2.655 1536 Q HA 0.255 4.597 4.340 0.003 0.000 0.228 1536 Q C 0.149 176.147 176.000 -0.003 0.000 1.186 1536 Q CA 0.195 56.011 55.803 0.022 0.000 1.004 1536 Q CB 0.607 29.360 28.738 0.025 0.000 1.242 1536 Q HN 0.526 nan 8.270 nan 0.000 0.558 1537 G N 2.652 111.444 108.800 -0.013 0.000 3.519 1537 G HA2 0.040 4.002 3.960 0.003 0.000 0.269 1537 G HA3 0.040 4.002 3.960 0.003 0.000 0.269 1537 G C 0.485 175.346 174.900 -0.066 0.000 1.028 1537 G CA -0.434 44.628 45.100 -0.063 0.000 0.809 1537 G HN 0.430 nan 8.290 nan 0.000 0.521 1538 R N 1.039 121.519 120.500 -0.033 0.000 3.152 1538 R HA 0.252 4.594 4.340 0.003 0.000 0.209 1538 R C 0.067 176.306 176.300 -0.102 0.000 1.649 1538 R CA -0.034 56.036 56.100 -0.050 0.000 1.185 1538 R CB 0.048 30.319 30.300 -0.049 0.000 1.258 1538 R HN 0.082 nan 8.270 nan 0.000 0.656 1539 V N 4.876 124.726 119.914 -0.105 0.000 3.253 1539 V HA 0.154 4.275 4.120 0.003 0.000 0.320 1539 V C -0.581 175.442 176.094 -0.119 0.000 1.442 1539 V CA -0.276 61.951 62.300 -0.121 0.000 1.097 1539 V CB 0.488 32.264 31.823 -0.079 0.000 1.008 1539 V HN 0.429 nan 8.190 nan 0.000 0.463 1540 L N 1.868 123.033 121.223 -0.095 0.000 2.410 1540 L HA 0.306 4.647 4.340 0.003 0.000 0.273 1540 L C 0.738 177.557 176.870 -0.086 0.000 1.144 1540 L CA 0.288 55.103 54.840 -0.041 0.000 0.863 1540 L CB -0.065 42.011 42.059 0.027 0.000 1.140 1540 L HN 0.275 nan 8.230 nan 0.000 0.463 1541 H N 6.382 125.366 119.070 -0.143 0.000 3.173 1541 H HA -0.074 4.483 4.556 0.003 0.000 0.311 1541 H C -1.610 173.552 175.328 -0.276 0.000 0.972 1541 H CA -0.868 55.058 56.048 -0.203 0.000 1.384 1541 H CB 0.833 30.523 29.762 -0.121 0.000 1.349 1541 H HN 0.454 nan 8.280 nan 0.000 0.582 1542 P HA -0.211 nan 4.420 nan 0.000 0.219 1542 P C 0.591 177.825 177.300 -0.109 0.000 1.161 1542 P CA 2.428 65.253 63.100 -0.459 0.000 0.909 1542 P CB 0.383 31.299 31.700 -1.307 0.000 0.793 1543 E N -2.114 118.170 120.200 0.140 0.000 2.419 1543 E HA 0.077 4.428 4.350 0.003 0.000 0.197 1543 E C 0.650 177.097 176.600 -0.255 0.000 0.920 1543 E CA -0.175 56.234 56.400 0.014 0.000 1.085 1543 E CB -0.223 29.578 29.700 0.168 0.000 1.084 1543 E HN 0.261 nan 8.360 nan 0.000 0.490 1544 Q N 1.487 121.037 119.800 -0.416 0.000 2.414 1544 Q HA -0.007 4.334 4.340 0.003 0.000 0.288 1544 Q C -0.270 175.492 176.000 -0.397 0.000 1.086 1544 Q CA 0.388 55.877 55.803 -0.525 0.000 0.943 1544 Q CB 0.322 28.636 28.738 -0.707 0.000 1.282 1544 Q HN 0.310 nan 8.270 nan 0.000 0.438 1545 H N 3.306 122.334 119.070 -0.071 0.000 2.680 1545 H HA 0.205 4.762 4.556 0.003 0.000 0.224 1545 H C -0.015 175.311 175.328 -0.004 0.000 1.866 1545 H CA 0.056 56.093 56.048 -0.019 0.000 1.302 1545 H CB -0.458 29.293 29.762 -0.018 0.000 1.709 1545 H HN 0.543 nan 8.280 nan 0.000 0.537 1546 R N -1.294 119.252 120.500 0.077 0.000 2.829 1546 R HA 0.537 4.878 4.340 0.003 0.000 0.267 1546 R C -1.061 175.283 176.300 0.073 0.000 1.051 1546 R CA -0.968 55.173 56.100 0.068 0.000 0.927 1546 R CB 1.004 31.322 30.300 0.031 0.000 1.292 1546 R HN 0.010 nan 8.270 nan 0.000 0.445 1547 V N -0.425 119.520 119.914 0.051 0.000 2.837 1547 V HA 0.612 4.733 4.120 0.003 0.000 0.310 1547 V C 0.906 177.042 176.094 0.069 0.000 1.059 1547 V CA -0.742 61.578 62.300 0.032 0.000 1.004 1547 V CB 1.388 33.203 31.823 -0.013 0.000 1.045 1547 V HN 0.699 nan 8.190 nan 0.000 0.465 1548 V N 2.024 121.978 119.914 0.067 0.000 2.928 1548 V HA 0.397 4.518 4.120 0.003 0.000 0.307 1548 V C 0.700 176.895 176.094 0.169 0.000 1.105 1548 V CA 0.550 62.925 62.300 0.126 0.000 1.223 1548 V CB 0.029 31.956 31.823 0.173 0.000 0.930 1548 V HN 1.506 nan 8.190 nan 0.000 0.499 1549 S N 2.731 118.517 115.700 0.143 0.000 2.707 1549 S HA 0.495 4.967 4.470 0.003 0.000 0.276 1549 S C 0.900 175.534 174.600 0.057 0.000 1.179 1549 S CA -0.173 58.075 58.200 0.081 0.000 0.992 1549 S CB 1.407 64.542 63.200 -0.108 0.000 1.030 1549 S HN 0.792 nan 8.310 nan 0.000 0.554 1550 V N 1.044 120.872 119.914 -0.142 0.000 2.287 1550 V HA -0.154 3.967 4.120 0.003 0.000 0.248 1550 V C 2.893 178.926 176.094 -0.101 0.000 1.053 1550 V CA 2.375 64.476 62.300 -0.331 0.000 1.027 1550 V CB -1.141 30.466 31.823 -0.359 0.000 0.646 1550 V HN 0.916 nan 8.190 nan 0.000 0.447 1551 R N 0.513 121.027 120.500 0.024 0.000 2.096 1551 R HA -0.164 4.178 4.340 0.003 0.000 0.235 1551 R C 2.149 178.520 176.300 0.117 0.000 1.127 1551 R CA 1.755 57.915 56.100 0.100 0.000 0.968 1551 R CB -0.439 29.994 30.300 0.221 0.000 0.861 1551 R HN 0.656 nan 8.270 nan 0.000 0.440 1552 E N -1.043 119.263 120.200 0.176 0.000 2.150 1552 E HA -0.179 4.172 4.350 0.003 0.000 0.193 1552 E C 2.009 178.660 176.600 0.085 0.000 0.985 1552 E CA 1.303 57.818 56.400 0.191 0.000 0.814 1552 E CB -0.110 29.752 29.700 0.271 0.000 0.752 1552 E HN 0.388 nan 8.360 nan 0.000 0.466 1553 C N 0.648 119.986 119.300 0.063 0.000 2.450 1553 C HA 0.040 4.502 4.460 0.003 0.000 0.279 1553 C C 2.857 177.790 174.990 -0.094 0.000 1.335 1553 C CA 0.562 59.578 59.018 -0.004 0.000 1.749 1553 C CB -0.790 26.983 27.740 0.056 0.000 1.963 1553 C HN 0.496 nan 8.230 nan 0.000 0.501 1554 A N 0.812 123.582 122.820 -0.083 0.000 1.933 1554 A HA -0.143 4.179 4.320 0.003 0.000 0.218 1554 A C 2.244 179.834 177.584 0.010 0.000 1.175 1554 A CA 1.298 53.282 52.037 -0.090 0.000 0.628 1554 A CB -0.361 18.612 19.000 -0.045 0.000 0.814 1554 A HN 0.508 nan 8.150 nan 0.000 0.444 1555 R N 0.519 121.018 120.500 -0.001 0.000 2.092 1555 R HA -0.092 4.249 4.340 0.003 0.000 0.231 1555 R C 2.599 178.890 176.300 -0.016 0.000 1.119 1555 R CA 1.592 57.713 56.100 0.034 0.000 0.970 1555 R CB -1.251 29.087 30.300 0.064 0.000 0.864 1555 R HN 0.748 nan 8.270 nan 0.000 0.440 1556 S N 0.667 116.183 115.700 -0.307 0.000 2.370 1556 S HA -0.124 4.348 4.470 0.003 0.000 0.226 1556 S C 1.173 175.665 174.600 -0.180 0.000 1.033 1556 S CA 0.676 58.515 58.200 -0.601 0.000 1.011 1556 S CB -0.015 62.683 63.200 -0.836 0.000 0.852 1556 S HN 0.145 nan 8.310 nan 0.000 0.457 1557 Q N 0.305 120.084 119.800 -0.035 0.000 2.247 1557 Q HA 0.446 4.788 4.340 0.003 0.000 0.184 1557 Q C 1.574 177.697 176.000 0.206 0.000 1.067 1557 Q CA 0.488 56.361 55.803 0.116 0.000 1.115 1557 Q CB -0.036 28.848 28.738 0.243 0.000 1.147 1557 Q HN 0.437 nan 8.270 nan 0.000 0.599 1558 G N -0.449 108.469 108.800 0.197 0.000 2.939 1558 G HA2 0.036 3.998 3.960 0.003 0.000 0.210 1558 G HA3 0.036 3.998 3.960 0.003 0.000 0.210 1558 G C -0.006 174.902 174.900 0.014 0.000 1.160 1558 G CA -0.257 44.921 45.100 0.131 0.000 0.770 1558 G HN 0.259 nan 8.290 nan 0.000 0.543 1559 F N 1.817 121.697 119.950 -0.116 0.000 2.604 1559 F HA 0.164 4.692 4.527 0.002 0.000 0.393 1559 F C -1.449 174.279 175.800 -0.120 0.000 1.043 1559 F CA -1.419 56.474 58.000 -0.179 0.000 1.227 1559 F CB 0.333 39.197 39.000 -0.228 0.000 1.016 1559 F HN 0.005 nan 8.300 nan 0.000 0.556 1560 P HA 0.070 nan 4.420 nan 0.000 0.277 1560 P C 0.228 177.577 177.300 0.082 0.000 1.276 1560 P CA -0.225 62.870 63.100 -0.008 0.000 0.788 1560 P CB 0.727 32.419 31.700 -0.014 0.000 1.114 1561 D N -1.220 119.205 120.400 0.042 0.000 2.305 1561 D HA -0.041 4.601 4.640 0.003 0.000 0.206 1561 D C 1.358 177.725 176.300 0.111 0.000 0.974 1561 D CA 1.187 55.242 54.000 0.092 0.000 0.871 1561 D CB -0.412 40.450 40.800 0.104 0.000 0.947 1561 D HN 0.310 nan 8.370 nan 0.000 0.516 1562 T N 0.066 114.672 114.554 0.087 0.000 2.995 1562 T HA -0.135 4.216 4.350 0.003 0.000 0.269 1562 T C 0.800 175.549 174.700 0.081 0.000 1.091 1562 T CA 0.245 62.383 62.100 0.063 0.000 1.128 1562 T CB -0.210 68.672 68.868 0.024 0.000 0.891 1562 T HN 0.130 nan 8.240 nan 0.000 0.492 1563 Y N 3.108 123.430 120.300 0.037 0.000 2.497 1563 Y HA 0.202 4.753 4.550 0.003 0.000 0.334 1563 Y C 0.639 176.581 175.900 0.070 0.000 1.199 1563 Y CA -0.359 57.782 58.100 0.069 0.000 1.425 1563 Y CB 0.444 39.012 38.460 0.181 0.000 1.291 1563 Y HN -0.118 nan 8.280 nan 0.000 0.562 1564 R N 5.299 125.773 120.500 -0.044 0.000 2.643 1564 R HA 0.618 4.960 4.340 0.003 0.000 0.272 1564 R C -1.020 175.369 176.300 0.149 0.000 0.995 1564 R CA -0.821 55.303 56.100 0.039 0.000 1.032 1564 R CB 1.042 31.308 30.300 -0.056 0.000 1.126 1564 R HN 0.756 nan 8.270 nan 0.000 0.505 1565 L N 0.094 121.401 121.223 0.139 0.000 2.230 1565 L HA 0.647 4.989 4.340 0.003 0.000 0.255 1565 L C -0.957 176.043 176.870 0.217 0.000 1.039 1565 L CA -0.976 53.962 54.840 0.162 0.000 0.846 1565 L CB 1.428 43.542 42.059 0.092 0.000 1.419 1565 L HN 0.344 nan 8.230 nan 0.000 0.435 1566 F N -0.375 119.563 119.950 -0.021 0.000 2.654 1566 F HA 0.735 5.263 4.527 0.002 0.000 0.308 1566 F C 0.125 175.868 175.800 -0.095 0.000 1.108 1566 F CA 0.418 58.383 58.000 -0.059 0.000 0.957 1566 F CB 2.036 40.994 39.000 -0.071 0.000 1.309 1566 F HN 0.634 nan 8.300 nan 0.000 0.446 1567 G N 3.294 111.585 108.800 -0.848 0.000 2.549 1567 G HA2 -0.025 3.937 3.960 0.003 0.000 0.404 1567 G HA3 -0.025 3.937 3.960 0.003 0.000 0.404 1567 G C -1.297 173.405 174.900 -0.329 0.000 1.292 1567 G CA -0.494 44.261 45.100 -0.576 0.000 0.935 1567 G HN 1.327 nan 8.290 nan 0.000 0.512 1568 N N -0.868 117.713 118.700 -0.198 0.000 2.322 1568 N HA 0.481 5.222 4.740 0.003 0.000 0.270 1568 N C 1.872 177.353 175.510 -0.047 0.000 1.286 1568 N CA 0.077 53.063 53.050 -0.106 0.000 0.948 1568 N CB 0.586 39.039 38.487 -0.057 0.000 1.164 1568 N HN 0.967 nan 8.380 nan 0.000 0.551 1569 I N -0.881 119.681 120.570 -0.013 0.000 2.208 1569 I HA -0.237 3.935 4.170 0.003 0.000 0.245 1569 I C 1.538 177.718 176.117 0.106 0.000 1.097 1569 I CA 1.415 62.730 61.300 0.026 0.000 1.363 1569 I CB -0.069 37.958 38.000 0.045 0.000 1.051 1569 I HN 0.506 nan 8.210 nan 0.000 0.413 1570 L N 0.097 121.390 121.223 0.116 0.000 2.156 1570 L HA -0.169 4.172 4.340 0.003 0.000 0.208 1570 L C 2.071 179.067 176.870 0.209 0.000 1.095 1570 L CA 0.888 55.826 54.840 0.164 0.000 0.770 1570 L CB -0.801 41.323 42.059 0.109 0.000 0.914 1570 L HN 0.225 nan 8.230 nan 0.000 0.439 1571 D N 0.539 121.051 120.400 0.187 0.000 2.144 1571 D HA -0.160 4.482 4.640 0.003 0.000 0.199 1571 D C 2.161 178.614 176.300 0.256 0.000 0.984 1571 D CA 1.178 55.352 54.000 0.289 0.000 0.834 1571 D CB 0.034 40.850 40.800 0.028 0.000 0.955 1571 D HN 0.275 nan 8.370 nan 0.000 0.465 1572 K N -0.303 120.157 120.400 0.101 0.000 2.001 1572 K HA -0.112 4.210 4.320 0.003 0.000 0.208 1572 K C 2.181 178.803 176.600 0.037 0.000 1.048 1572 K CA 0.769 57.076 56.287 0.033 0.000 0.932 1572 K CB -0.237 32.221 32.500 -0.070 0.000 0.715 1572 K HN 0.238 nan 8.250 nan 0.000 0.437 1573 H N 0.755 119.852 119.070 0.044 0.000 2.357 1573 H HA -0.151 4.406 4.556 0.003 0.000 0.296 1573 H C 2.273 177.613 175.328 0.019 0.000 1.108 1573 H CA 1.711 57.769 56.048 0.016 0.000 1.273 1573 H CB 0.040 29.810 29.762 0.013 0.000 1.367 1573 H HN 0.153 nan 8.280 nan 0.000 0.498 1574 R N 0.783 121.404 120.500 0.201 0.000 2.092 1574 R HA -0.112 4.230 4.340 0.003 0.000 0.231 1574 R C 2.380 178.748 176.300 0.113 0.000 1.119 1574 R CA 1.215 57.379 56.100 0.106 0.000 0.970 1574 R CB 0.159 30.482 30.300 0.039 0.000 0.864 1574 R HN 0.467 nan 8.270 nan 0.000 0.440 1575 Q N -0.398 119.530 119.800 0.214 0.000 2.020 1575 Q HA -0.149 4.193 4.340 0.003 0.000 0.202 1575 Q C 2.155 178.155 176.000 0.000 0.000 0.982 1575 Q CA 1.881 57.795 55.803 0.185 0.000 0.838 1575 Q CB -0.128 28.726 28.738 0.193 0.000 0.899 1575 Q HN 0.195 nan 8.270 nan 0.000 0.423 1576 V N 0.966 120.809 119.914 -0.118 0.000 2.407 1576 V HA -0.210 3.911 4.120 0.003 0.000 0.248 1576 V C 2.282 178.292 176.094 -0.139 0.000 1.055 1576 V CA 1.955 64.074 62.300 -0.302 0.000 1.049 1576 V CB -1.292 30.343 31.823 -0.313 0.000 0.662 1576 V HN 0.563 nan 8.190 nan 0.000 0.455 1577 G N 0.160 108.937 108.800 -0.038 0.000 2.418 1577 G HA2 -0.244 3.717 3.960 0.003 0.000 0.217 1577 G HA3 -0.244 3.717 3.960 0.003 0.000 0.217 1577 G C 1.458 176.345 174.900 -0.022 0.000 1.158 1577 G CA 0.902 45.995 45.100 -0.012 0.000 0.771 1577 G HN 0.531 nan 8.290 nan 0.000 0.545 1578 N N 1.348 120.037 118.700 -0.020 0.000 2.173 1578 N HA 0.051 4.792 4.740 0.003 0.000 0.184 1578 N C 1.723 177.237 175.510 0.007 0.000 1.025 1578 N CA 0.692 53.728 53.050 -0.023 0.000 0.852 1578 N CB -0.477 37.995 38.487 -0.025 0.000 0.998 1578 N HN 0.340 nan 8.380 nan 0.000 0.427 1579 A N 1.380 124.229 122.820 0.048 0.000 2.641 1579 A HA 0.080 4.402 4.320 0.003 0.000 0.239 1579 A C 0.288 177.939 177.584 0.112 0.000 1.123 1579 A CA 0.302 52.421 52.037 0.137 0.000 0.822 1579 A CB 0.143 19.307 19.000 0.273 0.000 1.050 1579 A HN 0.024 nan 8.150 nan 0.000 0.520 1580 V N 2.020 121.997 119.914 0.106 0.000 2.459 1580 V HA 0.346 4.467 4.120 0.003 0.000 0.295 1580 V C -2.296 173.792 176.094 -0.010 0.000 1.029 1580 V CA -1.526 60.778 62.300 0.007 0.000 0.874 1580 V CB 1.604 33.379 31.823 -0.080 0.000 0.985 1580 V HN 0.745 nan 8.190 nan 0.000 0.438 1581 P HA 0.068 nan 4.420 nan 0.000 0.256 1581 P C -2.089 175.127 177.300 -0.141 0.000 1.189 1581 P CA -0.613 62.470 63.100 -0.028 0.000 0.808 1581 P CB 0.137 31.831 31.700 -0.011 0.000 0.793 1582 P HA -0.191 nan 4.420 nan 0.000 0.216 1582 P C -1.228 175.980 177.300 -0.153 0.000 1.154 1582 P CA 2.229 65.146 63.100 -0.305 0.000 0.865 1582 P CB -1.406 30.035 31.700 -0.433 0.000 0.789 1583 P HA -0.122 nan 4.420 nan 0.000 0.221 1583 P C 1.621 178.938 177.300 0.028 0.000 1.145 1583 P CA 1.041 64.174 63.100 0.056 0.000 0.795 1583 P CB -0.339 31.456 31.700 0.159 0.000 0.775 1584 L N -1.173 120.012 121.223 -0.063 0.000 2.102 1584 L HA -0.020 4.321 4.340 0.003 0.000 0.202 1584 L C 2.197 178.936 176.870 -0.218 0.000 1.076 1584 L CA 1.405 56.131 54.840 -0.189 0.000 0.761 1584 L CB -0.764 41.179 42.059 -0.194 0.000 0.921 1584 L HN -0.065 nan 8.230 nan 0.000 0.444 1585 A N 0.224 122.905 122.820 -0.233 0.000 1.908 1585 A HA -0.293 4.028 4.320 0.003 0.000 0.218 1585 A C 2.333 179.792 177.584 -0.207 0.000 1.181 1585 A CA 2.159 53.989 52.037 -0.345 0.000 0.627 1585 A CB -0.549 18.119 19.000 -0.554 0.000 0.818 1585 A HN 0.467 nan 8.150 nan 0.000 0.445 1586 K N -0.297 120.031 120.400 -0.120 0.000 1.973 1586 K HA -0.105 4.217 4.320 0.003 0.000 0.212 1586 K C 2.134 178.762 176.600 0.046 0.000 1.047 1586 K CA 1.438 57.726 56.287 0.001 0.000 0.937 1586 K CB -0.442 32.069 32.500 0.019 0.000 0.721 1586 K HN 0.315 nan 8.250 nan 0.000 0.440 1587 A N 1.264 124.102 122.820 0.031 0.000 2.076 1587 A HA -0.158 4.163 4.320 0.003 0.000 0.220 1587 A C 2.076 179.668 177.584 0.013 0.000 1.160 1587 A CA 1.512 53.581 52.037 0.054 0.000 0.653 1587 A CB -0.587 18.482 19.000 0.116 0.000 0.801 1587 A HN 0.594 nan 8.150 nan 0.000 0.455 1588 I N -1.370 119.188 120.570 -0.020 0.000 2.852 1588 I HA 0.013 4.185 4.170 0.003 0.000 0.264 1588 I C 2.118 178.317 176.117 0.136 0.000 1.179 1588 I CA 1.017 62.337 61.300 0.033 0.000 1.480 1588 I CB -0.146 37.859 38.000 0.009 0.000 1.111 1588 I HN 0.310 nan 8.210 nan 0.000 0.441 1589 G N 0.873 109.811 108.800 0.230 0.000 2.430 1589 G HA2 -0.101 3.861 3.960 0.003 0.000 0.216 1589 G HA3 -0.101 3.861 3.960 0.003 0.000 0.216 1589 G C 1.577 176.500 174.900 0.040 0.000 1.146 1589 G CA 0.173 45.412 45.100 0.231 0.000 0.793 1589 G HN 0.330 nan 8.290 nan 0.000 0.537 1590 L N 0.436 121.693 121.223 0.056 0.000 2.131 1590 L HA -0.015 4.327 4.340 0.003 0.000 0.210 1590 L C 2.549 179.415 176.870 -0.007 0.000 1.092 1590 L CA 0.736 55.591 54.840 0.025 0.000 0.759 1590 L CB -0.255 41.832 42.059 0.047 0.000 0.903 1590 L HN 0.131 nan 8.230 nan 0.000 0.435 1591 E N 0.091 120.288 120.200 -0.006 0.000 2.472 1591 E HA -0.087 4.265 4.350 0.003 0.000 0.200 1591 E C 2.058 178.594 176.600 -0.106 0.000 1.046 1591 E CA 0.854 57.237 56.400 -0.029 0.000 0.871 1591 E CB 0.154 29.851 29.700 -0.004 0.000 0.806 1591 E HN 0.590 nan 8.360 nan 0.000 0.533 1592 I N 0.703 121.173 120.570 -0.166 0.000 3.081 1592 I HA -0.143 4.028 4.170 0.003 0.000 0.274 1592 I C 2.365 178.342 176.117 -0.233 0.000 1.178 1592 I CA 0.343 61.436 61.300 -0.345 0.000 1.460 1592 I CB 0.003 37.684 38.000 -0.531 0.000 1.137 1592 I HN 0.032 nan 8.210 nan 0.000 0.443 1593 K N 1.784 122.112 120.400 -0.120 0.000 2.103 1593 K HA -0.140 4.182 4.320 0.003 0.000 0.207 1593 K C 1.779 178.367 176.600 -0.019 0.000 1.048 1593 K CA 1.449 57.707 56.287 -0.049 0.000 0.930 1593 K CB -0.461 32.029 32.500 -0.016 0.000 0.716 1593 K HN 0.292 nan 8.250 nan 0.000 0.444 1594 L N 0.895 122.102 121.223 -0.025 0.000 2.633 1594 L HA -0.078 4.264 4.340 0.003 0.000 0.235 1594 L C 1.585 178.461 176.870 0.009 0.000 1.163 1594 L CA 0.096 54.934 54.840 -0.003 0.000 0.859 1594 L CB -0.235 41.823 42.059 -0.003 0.000 0.973 1594 L HN 0.456 nan 8.230 nan 0.000 0.451 1595 C N -1.533 117.770 119.300 0.006 0.000 2.689 1595 C HA 0.097 4.559 4.460 0.003 0.000 0.336 1595 C C 2.557 177.644 174.990 0.162 0.000 1.304 1595 C CA -0.280 58.786 59.018 0.081 0.000 1.860 1595 C CB -0.016 27.763 27.740 0.066 0.000 2.405 1595 C HN 0.459 nan 8.230 nan 0.000 0.557 1596 M N 0.515 120.199 119.600 0.141 0.000 2.254 1596 M HA -0.043 4.439 4.480 0.003 0.000 0.265 1596 M C 1.477 177.834 176.300 0.096 0.000 1.066 1596 M CA 1.521 56.921 55.300 0.167 0.000 1.123 1596 M CB -0.335 32.351 32.600 0.143 0.000 1.388 1596 M HN 0.233 nan 8.290 nan 0.000 0.425 1597 L N 0.107 121.369 121.223 0.065 0.000 2.478 1597 L HA 0.080 4.421 4.340 0.003 0.000 0.223 1597 L C 2.577 179.472 176.870 0.041 0.000 1.140 1597 L CA 0.909 55.776 54.840 0.045 0.000 0.842 1597 L CB -1.126 40.952 42.059 0.031 0.000 0.953 1597 L HN 0.181 nan 8.230 nan 0.000 0.452 1598 A N -0.832 122.020 122.820 0.053 0.000 1.929 1598 A HA -0.147 4.175 4.320 0.003 0.000 0.216 1598 A C 1.821 179.428 177.584 0.040 0.000 1.176 1598 A CA 1.260 53.324 52.037 0.044 0.000 0.628 1598 A CB -0.093 18.940 19.000 0.055 0.000 0.816 1598 A HN 0.380 nan 8.150 nan 0.000 0.444 1599 K N -2.298 118.134 120.400 0.052 0.000 8.933 1599 K HA -0.305 4.016 4.320 0.003 0.000 0.433 1599 K C 0.815 177.429 176.600 0.023 0.000 0.526 1599 K CA 1.946 58.255 56.287 0.038 0.000 1.517 1599 K CB -1.829 30.689 32.500 0.030 0.000 0.800 1599 K HN 2.086 nan 8.250 nan 0.000 1.082 1600 A N 0.000 122.829 122.820 0.015 0.000 2.254 1600 A HA 0.000 4.322 4.320 0.003 0.000 0.244 1600 A CA 0.000 52.040 52.037 0.005 0.000 0.836 1600 A CB 0.000 19.001 19.000 0.002 0.000 0.831 1600 A HN 0.000 nan 8.150 nan 0.000 0.486