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 1ygr_1_A DATA FIRST_RESID 599 DATA SEQUENCE EKQLXNVEPI HADILLETYK RKIADEGRPF LAEFQSIPRV FSKFPIKEAR DATA SEQUENCE KPFNQNKNRY VDILPYDYNR VELSEINGDA GSNYINASYI DGFKEPRKYI DATA SEQUENCE AAQGPRDETV DDFWRXIWEQ KATVIVXVTR CEEGNRNKCA EYWPSXEEGT DATA SEQUENCE RAFGDVVVKI NQHKRCPDYI IQKLNIVNKK EKATGREVTH IQFTSWPDHG DATA SEQUENCE VPEDPHLLLK LRRRVNAFSN FFSGPIVVHS SAGVGRTGTY IGIDAXLEGL DATA SEQUENCE EAENKVDVYG YVVKLRRQRC LXVQVEAQYI LIHQALVEYN QFGETEVNLS DATA SEQUENCE ELHPYLHNXK KRDPPSEPSP LEAEFQRLPS YRSWRTQHIG NQEENKSKNR DATA SEQUENCE NSNVIPYDYN RVPLKXXXXX XXXXXXXXXX XXXXXXXXXX XSKYINASFI DATA SEQUENCE XSYWKPEVXI AAQGPLKETI GDFWQXIFQR KVKVIVXLTE LKHGDQEICA DATA SEQUENCE QYWGEGKQTY GDIEVDLKDT DKSSTYTLRV FELRHSKRKD SRTVYQYQYT DATA SEQUENCE NWSVEQLPAE PKELISXIQV VKQKLPQKNX XXXXXXHKST PLLIHCRDGS DATA SEQUENCE QQTGIFCALL NLLESAETEE VVDIFQVVKA LRKARLGXVS TFEQYQFLYD DATA SEQUENCE VIASTYP 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 599 E HA 0.000 nan 4.350 nan 0.000 0.291 599 E C 0.000 176.596 176.600 -0.006 0.000 1.382 599 E CA 0.000 56.422 56.400 0.036 0.000 0.976 599 E CB 0.000 29.795 29.700 0.158 0.000 0.812 600 K N -0.820 119.576 120.400 -0.007 0.000 2.283 600 K HA 0.583 4.902 4.320 -0.002 0.000 0.257 600 K C -1.346 175.265 176.600 0.019 0.000 1.066 600 K CA -1.006 55.272 56.287 -0.015 0.000 0.891 600 K CB 0.875 33.340 32.500 -0.058 0.000 1.438 600 K HN 0.308 nan 8.250 nan 0.000 0.464 601 Q N 2.108 121.917 119.800 0.015 0.000 2.421 601 Q HA 0.339 4.678 4.340 -0.002 0.000 0.242 601 Q C -0.830 175.201 176.000 0.051 0.000 1.024 601 Q CA -0.370 55.454 55.803 0.034 0.000 0.891 601 Q CB -0.088 28.662 28.738 0.021 0.000 1.222 601 Q HN 0.616 nan 8.270 nan 0.000 0.483 605 V N 0.469 120.338 119.914 -0.075 0.000 2.743 605 V HA 0.569 4.688 4.120 -0.002 0.000 0.301 605 V C 0.467 176.571 176.094 0.017 0.000 1.057 605 V CA -0.563 61.685 62.300 -0.088 0.000 1.006 605 V CB 1.691 33.428 31.823 -0.142 0.000 1.024 605 V HN 0.598 nan 8.190 nan 0.000 0.473 606 E N 3.847 124.048 120.200 0.001 0.000 2.105 606 E HA 0.371 4.719 4.350 -0.002 0.000 0.285 606 E C -2.446 174.179 176.600 0.042 0.000 1.055 606 E CA -2.069 54.336 56.400 0.008 0.000 0.843 606 E CB 0.893 30.573 29.700 -0.035 0.000 1.067 606 E HN 0.661 nan 8.360 nan 0.000 0.398 607 P HA -0.088 nan 4.420 nan 0.000 0.258 607 P C -0.900 176.456 177.300 0.093 0.000 1.172 607 P CA 0.264 63.435 63.100 0.118 0.000 0.762 607 P CB 0.165 31.947 31.700 0.137 0.000 0.764 608 I N 3.572 124.215 120.570 0.123 0.000 2.556 608 I HA 0.061 4.230 4.170 -0.002 0.000 0.284 608 I C 1.213 177.445 176.117 0.192 0.000 1.114 608 I CA 0.263 61.633 61.300 0.117 0.000 1.418 608 I CB -0.299 37.782 38.000 0.135 0.000 1.394 608 I HN 0.377 nan 8.210 nan 0.000 0.552 609 H N 3.990 123.085 119.070 0.041 0.000 2.551 609 H HA 0.277 4.831 4.556 -0.002 0.000 0.358 609 H C 1.147 176.487 175.328 0.021 0.000 1.151 609 H CA -0.176 55.889 56.048 0.028 0.000 1.374 609 H CB 1.221 30.996 29.762 0.022 0.000 1.473 609 H HN 0.848 nan 8.280 nan 0.000 0.574 610 A N 3.522 126.395 122.820 0.088 0.000 1.877 610 A HA -0.383 3.936 4.320 -0.002 0.000 0.218 610 A C 1.841 179.449 177.584 0.040 0.000 1.301 610 A CA 2.591 54.649 52.037 0.034 0.000 0.699 610 A CB -1.055 17.937 19.000 -0.013 0.000 0.844 610 A HN 0.980 nan 8.150 nan 0.000 0.464 611 D N 0.665 121.086 120.400 0.034 0.000 2.435 611 D HA -0.298 4.341 4.640 -0.002 0.000 0.206 611 D C 1.670 177.993 176.300 0.038 0.000 1.055 611 D CA 2.001 56.016 54.000 0.026 0.000 0.908 611 D CB -1.193 39.626 40.800 0.031 0.000 1.151 611 D HN 0.895 nan 8.370 nan 0.000 0.479 612 I N -1.318 119.286 120.570 0.057 0.000 2.874 612 I HA -0.210 3.958 4.170 -0.002 0.000 0.271 612 I C 1.927 178.081 176.117 0.062 0.000 1.263 612 I CA 0.704 62.034 61.300 0.049 0.000 1.443 612 I CB -0.226 37.799 38.000 0.042 0.000 1.100 612 I HN 0.090 nan 8.210 nan 0.000 0.480 613 L N 1.062 122.329 121.223 0.073 0.000 1.971 613 L HA -0.233 4.106 4.340 -0.002 0.000 0.215 613 L C 2.302 179.245 176.870 0.121 0.000 1.072 613 L CA 1.969 56.868 54.840 0.098 0.000 0.758 613 L CB -0.989 41.112 42.059 0.072 0.000 0.889 613 L HN 0.417 nan 8.230 nan 0.000 0.433 614 L N -0.332 120.933 121.223 0.071 0.000 2.021 614 L HA -0.271 4.068 4.340 -0.002 0.000 0.215 614 L C 2.472 179.429 176.870 0.145 0.000 1.074 614 L CA 2.345 57.235 54.840 0.083 0.000 0.760 614 L CB -1.123 40.941 42.059 0.008 0.000 0.889 614 L HN 0.458 nan 8.230 nan 0.000 0.433 615 E N -1.032 119.218 120.200 0.084 0.000 2.051 615 E HA -0.101 4.247 4.350 -0.002 0.000 0.189 615 E C 1.987 178.612 176.600 0.042 0.000 0.979 615 E CA 1.502 57.936 56.400 0.056 0.000 0.803 615 E CB -0.677 29.037 29.700 0.023 0.000 0.761 615 E HN 0.395 nan 8.360 nan 0.000 0.451 616 T N 0.845 115.427 114.554 0.047 0.000 2.624 616 T HA -0.280 4.069 4.350 -0.002 0.000 0.268 616 T C 1.579 176.271 174.700 -0.013 0.000 1.041 616 T CA 1.781 63.882 62.100 0.003 0.000 1.159 616 T CB -0.681 68.206 68.868 0.032 0.000 0.863 616 T HN 0.245 nan 8.240 nan 0.000 0.434 617 Y N 2.758 123.062 120.300 0.007 0.000 2.102 617 Y HA -0.259 4.289 4.550 -0.002 0.000 0.280 617 Y C 2.205 178.134 175.900 0.047 0.000 1.178 617 Y CA 1.509 59.656 58.100 0.078 0.000 1.146 617 Y CB -0.292 38.256 38.460 0.148 0.000 0.968 617 Y HN -0.027 nan 8.280 nan 0.000 0.504 618 K N 0.647 120.984 120.400 -0.106 0.000 2.020 618 K HA -0.230 4.088 4.320 -0.002 0.000 0.212 618 K C 2.209 178.686 176.600 -0.205 0.000 1.050 618 K CA 2.348 58.534 56.287 -0.170 0.000 0.929 618 K CB -0.691 31.792 32.500 -0.029 0.000 0.714 618 K HN 0.631 nan 8.250 nan 0.000 0.443 619 R N 0.920 121.322 120.500 -0.164 0.000 2.073 619 R HA 0.016 4.355 4.340 -0.002 0.000 0.229 619 R C 1.926 178.079 176.300 -0.244 0.000 1.120 619 R CA 0.816 56.816 56.100 -0.166 0.000 0.967 619 R CB -0.316 29.906 30.300 -0.129 0.000 0.862 619 R HN -0.077 nan 8.270 nan 0.000 0.436 620 K N 1.434 121.612 120.400 -0.369 0.000 2.218 620 K HA -0.124 4.195 4.320 -0.002 0.000 0.205 620 K C 2.055 178.392 176.600 -0.438 0.000 1.046 620 K CA 1.652 57.556 56.287 -0.639 0.000 0.933 620 K CB -0.152 31.585 32.500 -1.272 0.000 0.728 620 K HN 0.590 nan 8.250 nan 0.000 0.454 621 I N -2.574 117.829 120.570 -0.277 0.000 3.968 621 I HA 0.214 4.383 4.170 -0.002 0.000 0.328 621 I C 0.751 176.813 176.117 -0.093 0.000 1.290 621 I CA -0.462 60.777 61.300 -0.102 0.000 1.163 621 I CB -0.004 37.851 38.000 -0.241 0.000 1.024 621 I HN -0.251 nan 8.210 nan 0.000 0.413 622 A N 2.950 125.700 122.820 -0.117 0.000 2.520 622 A HA 0.119 4.437 4.320 -0.002 0.000 0.235 622 A C 0.653 178.207 177.584 -0.051 0.000 1.065 622 A CA 0.537 52.527 52.037 -0.079 0.000 0.764 622 A CB -0.470 18.481 19.000 -0.081 0.000 1.002 622 A HN 0.845 nan 8.150 nan 0.000 0.502 623 D N 0.141 120.519 120.400 -0.037 0.000 2.697 623 D HA -0.191 4.448 4.640 -0.002 0.000 0.238 623 D C 0.056 176.351 176.300 -0.008 0.000 1.152 623 D CA 1.161 55.148 54.000 -0.023 0.000 0.666 623 D CB -1.704 39.082 40.800 -0.024 0.000 1.037 623 D HN 0.810 nan 8.370 nan 0.000 0.423 624 E N -0.869 119.329 120.200 -0.004 0.000 2.246 624 E HA -0.171 4.178 4.350 -0.002 0.000 0.211 624 E C 1.114 177.739 176.600 0.042 0.000 1.278 624 E CA 1.211 57.621 56.400 0.016 0.000 0.694 624 E CB -1.645 28.065 29.700 0.016 0.000 1.166 624 E HN 1.537 nan 8.360 nan 0.000 0.370 625 G N 1.711 110.541 108.800 0.050 0.000 2.359 625 G HA2 -0.376 3.582 3.960 -0.002 0.000 0.278 625 G HA3 -0.376 3.582 3.960 -0.002 0.000 0.278 625 G C 1.177 176.143 174.900 0.110 0.000 0.872 625 G CA 0.952 46.118 45.100 0.111 0.000 1.185 625 G HN 0.520 nan 8.290 nan 0.000 0.474 626 R N -0.233 120.289 120.500 0.036 0.000 2.120 626 R HA -0.107 4.232 4.340 -0.002 0.000 0.234 626 R C -0.283 176.022 176.300 0.010 0.000 1.123 626 R CA 1.570 57.687 56.100 0.028 0.000 0.975 626 R CB -0.518 29.783 30.300 0.002 0.000 0.866 626 R HN 0.422 nan 8.270 nan 0.000 0.446 627 P HA -0.114 nan 4.420 nan 0.000 0.222 627 P C 0.624 177.858 177.300 -0.110 0.000 1.147 627 P CA 1.144 64.163 63.100 -0.134 0.000 0.790 627 P CB 0.076 31.625 31.700 -0.252 0.000 0.780 628 F N -1.319 118.607 119.950 -0.039 0.000 2.274 628 F HA 0.047 4.572 4.527 -0.002 0.000 0.288 628 F C 2.116 177.884 175.800 -0.053 0.000 1.069 628 F CA 0.409 58.397 58.000 -0.021 0.000 1.343 628 F CB -1.226 37.781 39.000 0.012 0.000 1.089 628 F HN -0.234 nan 8.300 nan 0.000 0.517 629 L N 0.048 121.389 121.223 0.197 0.000 2.263 629 L HA -0.192 4.147 4.340 -0.002 0.000 0.216 629 L C 2.121 179.042 176.870 0.086 0.000 1.111 629 L CA 1.826 56.746 54.840 0.135 0.000 0.773 629 L CB -1.306 40.816 42.059 0.105 0.000 0.906 629 L HN 0.180 nan 8.230 nan 0.000 0.439 630 A N -0.745 122.107 122.820 0.054 0.000 1.861 630 A HA -0.183 4.136 4.320 -0.002 0.000 0.212 630 A C 2.183 179.783 177.584 0.027 0.000 1.199 630 A CA 1.013 53.060 52.037 0.017 0.000 0.613 630 A CB -0.451 18.541 19.000 -0.013 0.000 0.846 630 A HN 0.409 nan 8.150 nan 0.000 0.446 631 E N -1.217 119.003 120.200 0.034 0.000 2.070 631 E HA -0.241 4.108 4.350 -0.002 0.000 0.197 631 E C 1.678 178.416 176.600 0.229 0.000 1.004 631 E CA 1.775 58.245 56.400 0.118 0.000 0.805 631 E CB -0.251 29.591 29.700 0.236 0.000 0.744 631 E HN 0.602 nan 8.360 nan 0.000 0.451 632 F N 0.848 120.567 119.950 -0.385 0.000 2.456 632 F HA -0.040 4.486 4.527 -0.002 0.000 0.298 632 F C 2.193 177.935 175.800 -0.097 0.000 1.104 632 F CA 1.078 58.802 58.000 -0.461 0.000 1.435 632 F CB 0.004 38.536 39.000 -0.779 0.000 1.078 632 F HN -0.019 nan 8.300 nan 0.000 0.546 633 Q N 0.555 120.256 119.800 -0.165 0.000 2.172 633 Q HA -0.115 4.223 4.340 -0.002 0.000 0.200 633 Q C 2.171 178.074 176.000 -0.161 0.000 0.964 633 Q CA 1.969 57.648 55.803 -0.207 0.000 0.855 633 Q CB -0.421 28.280 28.738 -0.061 0.000 0.918 633 Q HN 0.408 nan 8.270 nan 0.000 0.444 634 S N -0.805 114.875 115.700 -0.032 0.000 2.489 634 S HA 0.085 4.553 4.470 -0.002 0.000 0.228 634 S C 0.709 175.317 174.600 0.014 0.000 0.995 634 S CA -0.060 58.158 58.200 0.032 0.000 0.934 634 S CB -0.306 62.981 63.200 0.145 0.000 0.771 634 S HN 0.346 nan 8.310 nan 0.000 0.522 635 I N 4.746 125.292 120.570 -0.040 0.000 2.363 635 I HA 0.225 4.394 4.170 -0.002 0.000 0.292 635 I C -2.070 173.968 176.117 -0.131 0.000 1.075 635 I CA -2.202 59.054 61.300 -0.073 0.000 1.333 635 I CB 0.216 38.182 38.000 -0.056 0.000 1.415 635 I HN 0.064 nan 8.210 nan 0.000 0.502 636 P HA 0.029 nan 4.420 nan 0.000 0.265 636 P C 0.421 177.656 177.300 -0.108 0.000 1.187 636 P CA -0.222 62.761 63.100 -0.195 0.000 0.766 636 P CB 0.856 32.314 31.700 -0.403 0.000 0.820 637 R N 1.431 121.881 120.500 -0.084 0.000 2.147 637 R HA -0.067 4.272 4.340 -0.002 0.000 0.225 637 R C 1.029 177.366 176.300 0.063 0.000 1.120 637 R CA 1.457 57.549 56.100 -0.013 0.000 0.891 637 R CB -1.347 28.947 30.300 -0.011 0.000 0.822 637 R HN 0.402 nan 8.270 nan 0.000 0.433 638 V N -0.961 118.997 119.914 0.074 0.000 3.369 638 V HA 0.350 4.469 4.120 -0.002 0.000 0.301 638 V C -0.392 175.846 176.094 0.240 0.000 1.184 638 V CA -0.716 61.725 62.300 0.236 0.000 1.013 638 V CB 0.946 32.895 31.823 0.210 0.000 1.230 638 V HN 0.066 nan 8.190 nan 0.000 0.464 639 F N 0.178 120.378 119.950 0.417 0.000 2.513 639 F HA 0.385 4.911 4.527 -0.002 0.000 0.358 639 F C 1.421 177.382 175.800 0.268 0.000 1.118 639 F CA -0.212 57.986 58.000 0.329 0.000 1.037 639 F CB 1.697 40.953 39.000 0.426 0.000 1.276 639 F HN 0.472 nan 8.300 nan 0.000 0.446 640 S N 2.688 118.506 115.700 0.196 0.000 2.426 640 S HA -0.352 4.117 4.470 -0.002 0.000 0.259 640 S C 2.343 177.006 174.600 0.105 0.000 1.096 640 S CA 2.267 60.539 58.200 0.121 0.000 1.219 640 S CB -0.355 62.864 63.200 0.030 0.000 1.124 640 S HN 0.729 nan 8.310 nan 0.000 0.436 641 K N 1.693 122.092 120.400 -0.002 0.000 1.977 641 K HA -0.139 4.180 4.320 -0.002 0.000 0.218 641 K C 0.546 177.063 176.600 -0.139 0.000 1.051 641 K CA 1.118 57.303 56.287 -0.169 0.000 0.953 641 K CB -1.437 30.812 32.500 -0.417 0.000 0.727 641 K HN 0.403 nan 8.250 nan 0.000 0.445 642 F N 4.371 124.319 119.950 -0.004 0.000 2.332 642 F HA 0.009 4.534 4.527 -0.002 0.000 0.390 642 F C -1.767 174.132 175.800 0.165 0.000 1.004 642 F CA -1.346 56.642 58.000 -0.021 0.000 0.990 642 F CB -0.895 37.877 39.000 -0.381 0.000 0.867 642 F HN 0.103 nan 8.300 nan 0.000 0.519 643 P HA -0.004 nan 4.420 nan 0.000 0.264 643 P C 0.069 177.549 177.300 0.300 0.000 1.183 643 P CA 0.462 63.705 63.100 0.239 0.000 0.763 643 P CB 0.471 32.271 31.700 0.167 0.000 0.807 644 I N 3.589 124.300 120.570 0.236 0.000 2.905 644 I HA 0.165 4.334 4.170 -0.002 0.000 0.297 644 I C 1.333 177.519 176.117 0.114 0.000 1.358 644 I CA -0.108 61.312 61.300 0.199 0.000 0.975 644 I CB 0.481 38.597 38.000 0.194 0.000 1.857 644 I HN 0.367 nan 8.210 nan 0.000 0.612 645 K N 1.645 122.107 120.400 0.103 0.000 2.323 645 K HA 0.070 4.388 4.320 -0.002 0.000 0.197 645 K C 1.319 177.937 176.600 0.029 0.000 1.043 645 K CA 0.705 57.029 56.287 0.061 0.000 0.997 645 K CB 0.605 33.145 32.500 0.067 0.000 0.807 645 K HN 0.286 nan 8.250 nan 0.000 0.497 646 E N 0.367 120.583 120.200 0.027 0.000 2.318 646 E HA 0.000 4.349 4.350 -0.002 0.000 0.193 646 E C 1.696 178.123 176.600 -0.288 0.000 0.998 646 E CA 0.649 57.029 56.400 -0.033 0.000 0.859 646 E CB 0.404 30.131 29.700 0.044 0.000 0.812 646 E HN 0.378 nan 8.360 nan 0.000 0.492 647 A N 1.771 124.430 122.820 -0.269 0.000 1.897 647 A HA -0.116 4.202 4.320 -0.002 0.000 0.215 647 A C 2.056 179.483 177.584 -0.262 0.000 1.181 647 A CA 0.762 52.525 52.037 -0.457 0.000 0.620 647 A CB -0.247 18.703 19.000 -0.084 0.000 0.821 647 A HN 0.043 nan 8.150 nan 0.000 0.443 648 R N 0.710 121.145 120.500 -0.108 0.000 2.193 648 R HA -0.013 4.326 4.340 -0.002 0.000 0.229 648 R C 0.129 176.396 176.300 -0.054 0.000 1.110 648 R CA 0.427 56.495 56.100 -0.053 0.000 0.988 648 R CB -0.476 29.813 30.300 -0.018 0.000 0.871 648 R HN 0.468 nan 8.270 nan 0.000 0.458 649 K N 1.675 122.042 120.400 -0.055 0.000 2.494 649 K HA -0.051 4.268 4.320 -0.002 0.000 0.273 649 K C -1.404 175.173 176.600 -0.039 0.000 0.970 649 K CA -0.738 55.510 56.287 -0.064 0.000 0.963 649 K CB 0.363 32.896 32.500 0.055 0.000 0.913 649 K HN -0.047 nan 8.250 nan 0.000 0.502 650 P HA -0.172 nan 4.420 nan 0.000 0.216 650 P C 0.949 178.293 177.300 0.074 0.000 1.153 650 P CA 1.611 64.660 63.100 -0.085 0.000 0.848 650 P CB -0.124 31.473 31.700 -0.172 0.000 0.787 651 F N -0.263 119.676 119.950 -0.019 0.000 2.802 651 F HA 0.206 4.731 4.527 -0.002 0.000 0.302 651 F C 0.793 176.595 175.800 0.004 0.000 1.211 651 F CA -0.920 57.079 58.000 -0.002 0.000 1.431 651 F CB -2.374 36.630 39.000 0.007 0.000 1.114 651 F HN -0.042 nan 8.300 nan 0.000 0.567 652 N N -0.773 118.159 118.700 0.386 0.000 2.118 652 N HA -0.030 4.709 4.740 -0.002 0.000 0.226 652 N C 1.237 176.805 175.510 0.097 0.000 1.305 652 N CA -0.072 53.078 53.050 0.166 0.000 0.890 652 N CB 0.287 38.758 38.487 -0.027 0.000 1.118 652 N HN 0.024 nan 8.380 nan 0.000 0.511 653 Q N 1.538 121.389 119.800 0.086 0.000 2.030 653 Q HA -0.013 4.326 4.340 -0.002 0.000 0.204 653 Q C 1.245 177.281 176.000 0.060 0.000 0.986 653 Q CA 1.683 57.518 55.803 0.053 0.000 0.843 653 Q CB -0.084 28.678 28.738 0.039 0.000 0.904 653 Q HN 0.253 nan 8.270 nan 0.000 0.420 654 N N 0.125 118.863 118.700 0.063 0.000 2.519 654 N HA -0.106 4.633 4.740 -0.002 0.000 0.186 654 N C 0.648 176.188 175.510 0.050 0.000 1.062 654 N CA 0.761 53.839 53.050 0.047 0.000 0.910 654 N CB -0.013 38.501 38.487 0.043 0.000 0.958 654 N HN 0.316 nan 8.380 nan 0.000 0.445 655 K N 0.110 120.567 120.400 0.094 0.000 2.487 655 K HA 0.096 4.415 4.320 -0.002 0.000 0.192 655 K C -0.089 176.570 176.600 0.097 0.000 1.027 655 K CA 0.161 56.515 56.287 0.111 0.000 1.054 655 K CB 0.180 32.810 32.500 0.216 0.000 0.824 655 K HN 0.207 nan 8.250 nan 0.000 0.510 656 N N 0.734 119.480 118.700 0.076 0.000 2.430 656 N HA 0.165 4.904 4.740 -0.002 0.000 0.298 656 N C 0.265 175.725 175.510 -0.083 0.000 1.130 656 N CA -0.301 52.768 53.050 0.033 0.000 0.894 656 N CB 1.805 40.338 38.487 0.076 0.000 1.209 656 N HN -0.063 nan 8.380 nan 0.000 0.503 657 R N 0.498 120.876 120.500 -0.203 0.000 2.189 657 R HA 0.129 4.468 4.340 -0.002 0.000 0.203 657 R C -0.325 175.536 176.300 -0.731 0.000 1.012 657 R CA 0.868 56.654 56.100 -0.522 0.000 1.015 657 R CB 0.380 30.239 30.300 -0.735 0.000 0.938 657 R HN 0.566 nan 8.270 nan 0.000 0.472 658 Y N -1.919 118.400 120.300 0.033 0.000 2.396 658 Y HA 0.143 4.692 4.550 -0.002 0.000 0.332 658 Y C 0.361 176.281 175.900 0.034 0.000 1.034 658 Y CA -0.708 57.412 58.100 0.034 0.000 1.057 658 Y CB 1.970 40.450 38.460 0.034 0.000 1.220 658 Y HN -0.348 nan 8.280 nan 0.000 0.440 659 V N 1.881 121.897 119.914 0.170 0.000 3.305 659 V HA -0.159 3.960 4.120 -0.002 0.000 0.269 659 V C 1.343 177.499 176.094 0.103 0.000 1.157 659 V CA 2.287 64.651 62.300 0.107 0.000 1.157 659 V CB -0.118 31.753 31.823 0.079 0.000 0.772 659 V HN 0.948 nan 8.190 nan 0.000 0.498 660 D N 0.036 120.517 120.400 0.134 0.000 2.162 660 D HA -0.035 4.604 4.640 -0.002 0.000 0.203 660 D C 0.734 177.080 176.300 0.076 0.000 0.967 660 D CA 0.646 54.700 54.000 0.090 0.000 0.840 660 D CB 0.093 40.936 40.800 0.070 0.000 0.972 660 D HN 0.411 nan 8.370 nan 0.000 0.482 661 I N 2.657 123.295 120.570 0.112 0.000 2.337 661 I HA 0.299 4.468 4.170 -0.002 0.000 0.285 661 I C -0.303 175.848 176.117 0.057 0.000 1.041 661 I CA -0.338 61.006 61.300 0.073 0.000 1.199 661 I CB 0.825 38.893 38.000 0.112 0.000 1.370 661 I HN -0.093 nan 8.210 nan 0.000 0.470 662 L N 7.774 129.002 121.223 0.008 0.000 2.386 662 L HA 0.559 4.898 4.340 -0.002 0.000 0.271 662 L C -2.284 174.550 176.870 -0.061 0.000 0.993 662 L CA -1.784 53.069 54.840 0.022 0.000 0.819 662 L CB 2.648 44.731 42.059 0.041 0.000 1.294 662 L HN 0.303 nan 8.230 nan 0.000 0.414 663 P HA 0.076 nan 4.420 nan 0.000 0.271 663 P C -0.913 176.378 177.300 -0.016 0.000 1.216 663 P CA -0.096 62.960 63.100 -0.074 0.000 0.776 663 P CB 0.419 32.125 31.700 0.009 0.000 0.881 664 Y N 0.857 121.156 120.300 -0.001 0.000 2.550 664 Y HA -0.087 4.462 4.550 -0.002 0.000 0.343 664 Y C 1.900 177.805 175.900 0.008 0.000 1.245 664 Y CA -0.047 58.068 58.100 0.025 0.000 1.462 664 Y CB 0.193 38.598 38.460 -0.091 0.000 1.340 664 Y HN 0.379 nan 8.280 nan 0.000 0.604 665 D N 0.411 120.994 120.400 0.306 0.000 2.234 665 D HA -0.151 4.488 4.640 -0.002 0.000 0.205 665 D C 1.569 177.992 176.300 0.205 0.000 0.962 665 D CA 1.198 55.334 54.000 0.226 0.000 0.855 665 D CB -0.146 40.790 40.800 0.227 0.000 0.951 665 D HN 0.691 nan 8.370 nan 0.000 0.500 666 Y N 0.303 120.702 120.300 0.165 0.000 2.457 666 Y HA 0.039 4.588 4.550 -0.002 0.000 0.292 666 Y C 1.188 177.145 175.900 0.093 0.000 1.125 666 Y CA 0.923 59.089 58.100 0.110 0.000 1.254 666 Y CB -0.468 38.048 38.460 0.093 0.000 1.012 666 Y HN -0.097 nan 8.280 nan 0.000 0.555 667 N N 1.033 119.452 118.700 -0.468 0.000 2.171 667 N HA 0.031 4.770 4.740 -0.002 0.000 0.212 667 N C 0.141 175.701 175.510 0.084 0.000 1.184 667 N CA -0.362 52.562 53.050 -0.210 0.000 0.888 667 N CB -0.281 37.957 38.487 -0.416 0.000 1.038 667 N HN 0.379 nan 8.380 nan 0.000 0.517 668 R N 1.314 121.832 120.500 0.030 0.000 2.583 668 R HA 0.055 4.394 4.340 -0.002 0.000 0.274 668 R C -0.676 175.692 176.300 0.114 0.000 0.998 668 R CA -0.112 56.021 56.100 0.055 0.000 1.081 668 R CB 0.501 30.863 30.300 0.104 0.000 0.940 668 R HN -0.127 nan 8.270 nan 0.000 0.413 669 V N 4.760 124.634 119.914 -0.067 0.000 2.555 669 V HA 0.071 4.190 4.120 -0.002 0.000 0.286 669 V C 0.430 176.501 176.094 -0.039 0.000 1.044 669 V CA 0.328 62.560 62.300 -0.112 0.000 1.026 669 V CB 1.093 32.668 31.823 -0.413 0.000 0.981 669 V HN 0.815 nan 8.190 nan 0.000 0.480 670 E N 4.104 124.334 120.200 0.049 0.000 2.191 670 E HA 0.590 4.938 4.350 -0.002 0.000 0.274 670 E C -1.124 175.469 176.600 -0.012 0.000 0.948 670 E CA -0.712 55.700 56.400 0.020 0.000 0.802 670 E CB 2.215 31.951 29.700 0.060 0.000 1.137 670 E HN 0.493 nan 8.360 nan 0.000 0.397 671 L N 1.284 122.490 121.223 -0.028 0.000 2.334 671 L HA 0.274 4.613 4.340 -0.002 0.000 0.275 671 L C 0.524 177.393 176.870 -0.002 0.000 1.036 671 L CA -0.778 54.046 54.840 -0.027 0.000 0.807 671 L CB 1.722 43.751 42.059 -0.050 0.000 1.231 671 L HN 0.443 nan 8.230 nan 0.000 0.438 672 S N 2.146 117.853 115.700 0.011 0.000 2.946 672 S HA -0.077 4.392 4.470 -0.002 0.000 0.349 672 S C 0.469 175.077 174.600 0.014 0.000 1.189 672 S CA -0.350 57.862 58.200 0.020 0.000 1.285 672 S CB -0.460 62.762 63.200 0.036 0.000 1.010 672 S HN 0.424 nan 8.310 nan 0.000 0.538 673 E N 4.342 124.549 120.200 0.011 0.000 2.757 673 E HA -0.083 4.265 4.350 -0.002 0.000 0.238 673 E C 0.271 176.875 176.600 0.006 0.000 1.057 673 E CA 0.309 56.711 56.400 0.004 0.000 0.952 673 E CB 0.028 29.734 29.700 0.010 0.000 0.934 673 E HN 0.522 nan 8.360 nan 0.000 0.518 674 I N 4.166 124.735 120.570 -0.000 0.000 2.517 674 I HA -0.085 4.084 4.170 -0.002 0.000 0.285 674 I C 0.957 177.077 176.117 0.005 0.000 1.106 674 I CA -0.088 61.215 61.300 0.005 0.000 1.402 674 I CB 0.116 38.116 38.000 0.001 0.000 1.399 674 I HN 0.417 nan 8.210 nan 0.000 0.535 675 N N 4.517 123.224 118.700 0.012 0.000 2.441 675 N HA 0.248 4.987 4.740 -0.002 0.000 0.251 675 N C 1.030 176.549 175.510 0.015 0.000 1.242 675 N CA 1.374 54.433 53.050 0.015 0.000 0.898 675 N CB 0.823 39.321 38.487 0.017 0.000 1.100 675 N HN 0.856 nan 8.380 nan 0.000 0.443 676 G N 2.665 111.478 108.800 0.021 0.000 5.426 676 G HA2 -0.355 3.603 3.960 -0.002 0.000 0.297 676 G HA3 -0.355 3.603 3.960 -0.002 0.000 0.297 676 G C -0.112 174.804 174.900 0.027 0.000 1.422 676 G CA 0.363 45.478 45.100 0.025 0.000 0.938 676 G HN 0.914 nan 8.290 nan 0.000 0.754 677 D N 3.243 123.653 120.400 0.017 0.000 2.503 677 D HA 0.464 5.103 4.640 -0.002 0.000 0.280 677 D C 0.840 177.131 176.300 -0.016 0.000 1.405 677 D CA 1.013 55.018 54.000 0.008 0.000 1.049 677 D CB -0.070 40.729 40.800 -0.003 0.000 1.127 677 D HN 1.020 nan 8.370 nan 0.000 0.551 678 A N 2.949 125.779 122.820 0.017 0.000 2.477 678 A HA 0.529 4.848 4.320 -0.002 0.000 0.246 678 A C 1.539 178.915 177.584 -0.347 0.000 1.078 678 A CA 0.161 52.195 52.037 -0.005 0.000 0.770 678 A CB 0.109 19.250 19.000 0.234 0.000 1.011 678 A HN 1.307 nan 8.150 nan 0.000 0.494 679 G N 1.240 109.678 108.800 -0.603 0.000 2.137 679 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.237 679 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.237 679 G C 0.673 175.320 174.900 -0.422 0.000 1.002 679 G CA 0.814 45.292 45.100 -1.037 0.000 0.702 679 G HN 1.926 nan 8.290 nan 0.000 0.515 680 S N -0.475 115.095 115.700 -0.217 0.000 2.605 680 S HA 0.097 4.566 4.470 -0.002 0.000 0.217 680 S C 1.458 176.023 174.600 -0.059 0.000 0.958 680 S CA 0.727 58.865 58.200 -0.103 0.000 0.919 680 S CB -0.068 63.095 63.200 -0.063 0.000 0.780 680 S HN 0.926 nan 8.310 nan 0.000 0.507 681 N N 0.005 118.675 118.700 -0.050 0.000 2.325 681 N HA 0.072 4.811 4.740 -0.002 0.000 0.182 681 N C -0.076 175.447 175.510 0.022 0.000 1.088 681 N CA -0.402 52.644 53.050 -0.007 0.000 0.879 681 N CB -0.309 38.186 38.487 0.013 0.000 0.983 681 N HN 0.502 nan 8.380 nan 0.000 0.471 682 Y N 0.906 121.147 120.300 -0.099 0.000 2.323 682 Y HA 0.597 5.146 4.550 -0.002 0.000 0.331 682 Y C -0.570 175.288 175.900 -0.069 0.000 1.092 682 Y CA -1.209 56.846 58.100 -0.074 0.000 1.150 682 Y CB 0.680 39.095 38.460 -0.074 0.000 1.200 682 Y HN 0.066 nan 8.280 nan 0.000 0.472 683 I N 5.462 125.334 120.570 -1.162 0.000 2.842 683 I HA 0.255 4.423 4.170 -0.002 0.000 0.297 683 I C -1.636 173.851 176.117 -1.049 0.000 1.380 683 I CA -0.880 59.888 61.300 -0.886 0.000 1.018 683 I CB 1.876 39.618 38.000 -0.429 0.000 1.311 683 I HN 0.645 nan 8.210 nan 0.000 0.439 684 N N 5.497 123.822 118.700 -0.624 0.000 2.508 684 N HA 0.595 5.334 4.740 -0.002 0.000 0.253 684 N C -0.934 174.439 175.510 -0.227 0.000 1.145 684 N CA 0.359 53.215 53.050 -0.323 0.000 0.973 684 N CB 0.577 39.001 38.487 -0.105 0.000 1.305 684 N HN 0.715 nan 8.380 nan 0.000 0.506 685 A N 1.511 124.188 122.820 -0.238 0.000 2.557 685 A HA 0.792 5.111 4.320 -0.002 0.000 0.292 685 A C -1.136 176.322 177.584 -0.210 0.000 1.139 685 A CA -0.541 51.362 52.037 -0.223 0.000 0.665 685 A CB 1.255 20.071 19.000 -0.306 0.000 1.285 685 A HN 0.358 nan 8.150 nan 0.000 0.433 686 S N -1.116 114.444 115.700 -0.234 0.000 2.542 686 S HA 0.521 4.990 4.470 -0.002 0.000 0.276 686 S C -1.823 172.656 174.600 -0.202 0.000 1.148 686 S CA -0.425 57.661 58.200 -0.190 0.000 0.886 686 S CB 0.620 63.751 63.200 -0.116 0.000 1.109 686 S HN 0.527 nan 8.310 nan 0.000 0.458 687 Y N 2.456 122.708 120.300 -0.079 0.000 2.359 687 Y HA 0.430 4.980 4.550 -0.001 0.000 0.330 687 Y C 0.507 176.398 175.900 -0.015 0.000 1.143 687 Y CA -0.162 57.914 58.100 -0.039 0.000 1.318 687 Y CB 0.459 38.889 38.460 -0.049 0.000 1.234 687 Y HN 0.371 nan 8.280 nan 0.000 0.522 688 I N 3.403 124.090 120.570 0.196 0.000 2.545 688 I HA 0.234 4.403 4.170 -0.002 0.000 0.292 688 I C -0.743 175.522 176.117 0.247 0.000 1.040 688 I CA -1.159 60.254 61.300 0.187 0.000 1.068 688 I CB 1.802 39.924 38.000 0.203 0.000 1.251 688 I HN 0.537 nan 8.210 nan 0.000 0.424 689 D N 3.839 124.342 120.400 0.172 0.000 2.175 689 D HA 0.477 5.115 4.640 -0.002 0.000 0.248 689 D C 0.592 177.081 176.300 0.315 0.000 1.047 689 D CA -0.020 54.077 54.000 0.162 0.000 0.883 689 D CB 2.234 43.075 40.800 0.070 0.000 1.180 689 D HN 0.724 nan 8.370 nan 0.000 0.438 690 G N 0.119 109.084 108.800 0.276 0.000 2.546 690 G HA2 0.005 3.963 3.960 -0.002 0.000 0.239 690 G HA3 0.005 3.963 3.960 -0.002 0.000 0.239 690 G C 0.367 175.519 174.900 0.420 0.000 1.476 690 G CA -0.381 44.966 45.100 0.411 0.000 1.064 690 G HN 0.438 nan 8.290 nan 0.000 0.561 691 F N -0.376 119.658 119.950 0.140 0.000 2.748 691 F HA 0.306 4.832 4.527 -0.001 0.000 0.299 691 F C 1.698 177.536 175.800 0.064 0.000 1.154 691 F CA 0.932 58.986 58.000 0.089 0.000 1.446 691 F CB 0.152 39.137 39.000 -0.025 0.000 1.112 691 F HN 0.323 nan 8.300 nan 0.000 0.584 692 K N -1.053 119.378 120.400 0.052 0.000 2.979 692 K HA 0.025 4.344 4.320 -0.002 0.000 0.274 692 K C -0.249 176.341 176.600 -0.016 0.000 2.540 692 K CA -0.526 55.729 56.287 -0.052 0.000 1.434 692 K CB 0.210 32.681 32.500 -0.047 0.000 2.788 692 K HN -0.229 nan 8.250 nan 0.000 0.378 693 E N 4.951 125.143 120.200 -0.013 0.000 3.471 693 E HA -0.095 4.254 4.350 -0.002 0.000 0.240 693 E C -2.381 174.198 176.600 -0.035 0.000 0.916 693 E CA -0.248 56.129 56.400 -0.039 0.000 0.943 693 E CB -0.130 29.526 29.700 -0.075 0.000 0.889 693 E HN 0.083 nan 8.360 nan 0.000 0.575 694 P HA -0.000 nan 4.420 nan 0.000 0.276 694 P C -0.469 176.819 177.300 -0.021 0.000 1.230 694 P CA -0.036 63.052 63.100 -0.020 0.000 0.776 694 P CB 0.775 32.456 31.700 -0.033 0.000 0.888 695 R N 0.541 121.053 120.500 0.019 0.000 3.332 695 R HA -0.191 4.147 4.340 -0.002 0.000 0.263 695 R C 1.209 177.520 176.300 0.019 0.000 1.053 695 R CA 0.788 56.935 56.100 0.079 0.000 0.705 695 R CB -1.569 28.752 30.300 0.035 0.000 1.166 695 R HN 0.572 nan 8.270 nan 0.000 0.427 696 K N -0.008 120.324 120.400 -0.113 0.000 2.116 696 K HA -0.055 4.264 4.320 -0.002 0.000 0.203 696 K C 0.070 176.399 176.600 -0.452 0.000 1.052 696 K CA 1.229 57.286 56.287 -0.383 0.000 0.952 696 K CB 0.213 32.288 32.500 -0.708 0.000 0.729 696 K HN 0.277 nan 8.250 nan 0.000 0.446 697 Y N -0.539 119.802 120.300 0.069 0.000 2.630 697 Y HA 0.479 5.028 4.550 -0.002 0.000 0.337 697 Y C -0.301 175.592 175.900 -0.012 0.000 1.051 697 Y CA -1.274 56.849 58.100 0.037 0.000 1.121 697 Y CB 1.340 39.828 38.460 0.047 0.000 1.299 697 Y HN -0.247 nan 8.280 nan 0.000 0.498 698 I N 1.856 122.488 120.570 0.103 0.000 2.439 698 I HA 0.492 4.661 4.170 -0.002 0.000 0.283 698 I C -0.803 175.289 176.117 -0.041 0.000 1.023 698 I CA -0.823 60.416 61.300 -0.101 0.000 1.100 698 I CB 1.270 39.125 38.000 -0.241 0.000 1.238 698 I HN 0.770 nan 8.210 nan 0.000 0.445 699 A N 5.956 128.747 122.820 -0.048 0.000 2.269 699 A HA 0.832 5.151 4.320 -0.002 0.000 0.302 699 A C -0.143 177.409 177.584 -0.054 0.000 1.266 699 A CA -0.205 51.814 52.037 -0.031 0.000 0.894 699 A CB 0.484 19.464 19.000 -0.033 0.000 1.147 699 A HN 0.757 nan 8.150 nan 0.000 0.537 700 A N 2.442 125.261 122.820 -0.002 0.000 2.454 700 A HA 0.660 4.978 4.320 -0.002 0.000 0.302 700 A C -0.153 177.462 177.584 0.051 0.000 1.079 700 A CA -0.678 51.355 52.037 -0.006 0.000 0.731 700 A CB 0.837 19.816 19.000 -0.034 0.000 1.299 700 A HN 0.988 nan 8.150 nan 0.000 0.413 701 Q N 1.377 121.178 119.800 0.002 0.000 2.364 701 Q HA 0.386 4.724 4.340 -0.002 0.000 0.267 701 Q C 0.446 176.409 176.000 -0.061 0.000 0.999 701 Q CA 0.094 55.898 55.803 0.003 0.000 0.886 701 Q CB 0.702 29.423 28.738 -0.028 0.000 1.243 701 Q HN 0.974 nan 8.270 nan 0.000 0.415 702 G N 4.617 113.394 108.800 -0.039 0.000 2.313 702 G HA2 0.178 4.137 3.960 -0.002 0.000 0.250 702 G HA3 0.178 4.137 3.960 -0.002 0.000 0.250 702 G C -2.222 172.515 174.900 -0.272 0.000 1.281 702 G CA -0.859 44.140 45.100 -0.168 0.000 0.917 702 G HN 0.651 nan 8.290 nan 0.000 0.501 703 P HA 0.033 nan 4.420 nan 0.000 0.267 703 P C 0.009 177.191 177.300 -0.197 0.000 1.201 703 P CA 0.167 63.049 63.100 -0.364 0.000 0.775 703 P CB 1.155 32.473 31.700 -0.636 0.000 0.854 704 R N 1.273 121.696 120.500 -0.127 0.000 2.596 704 R HA 0.171 4.510 4.340 -0.002 0.000 0.267 704 R C 1.072 177.346 176.300 -0.043 0.000 1.026 704 R CA -0.558 55.492 56.100 -0.082 0.000 1.087 704 R CB 0.246 30.503 30.300 -0.072 0.000 1.132 704 R HN 0.385 nan 8.270 nan 0.000 0.531 705 D N 0.983 121.369 120.400 -0.023 0.000 2.182 705 D HA -0.147 4.492 4.640 -0.002 0.000 0.201 705 D C 0.711 177.026 176.300 0.025 0.000 0.986 705 D CA 1.430 55.434 54.000 0.007 0.000 0.847 705 D CB 0.284 41.084 40.800 0.001 0.000 0.942 705 D HN 0.484 nan 8.370 nan 0.000 0.467 706 E N -1.150 119.056 120.200 0.010 0.000 2.478 706 E HA 0.058 4.406 4.350 -0.002 0.000 0.194 706 E C 1.118 177.732 176.600 0.023 0.000 1.045 706 E CA 0.576 56.987 56.400 0.020 0.000 0.868 706 E CB 0.473 30.181 29.700 0.013 0.000 0.885 706 E HN 0.060 nan 8.360 nan 0.000 0.505 707 T N -0.490 114.069 114.554 0.010 0.000 2.985 707 T HA -0.005 4.344 4.350 -0.002 0.000 0.254 707 T C 1.892 176.607 174.700 0.025 0.000 1.021 707 T CA 0.499 62.601 62.100 0.004 0.000 0.957 707 T CB 0.388 69.234 68.868 -0.036 0.000 1.047 707 T HN 0.191 nan 8.240 nan 0.000 0.511 708 V N 0.953 120.894 119.914 0.046 0.000 2.439 708 V HA -0.243 3.876 4.120 -0.002 0.000 0.253 708 V C 1.781 177.989 176.094 0.189 0.000 1.074 708 V CA 2.104 64.459 62.300 0.091 0.000 1.076 708 V CB -0.561 31.395 31.823 0.221 0.000 0.664 708 V HN 0.235 nan 8.190 nan 0.000 0.461 709 D N 0.251 120.776 120.400 0.209 0.000 2.137 709 D HA -0.060 4.579 4.640 -0.002 0.000 0.202 709 D C 1.902 178.297 176.300 0.158 0.000 0.970 709 D CA 1.454 55.597 54.000 0.239 0.000 0.837 709 D CB -0.414 40.496 40.800 0.182 0.000 0.981 709 D HN 0.511 nan 8.370 nan 0.000 0.475 710 D N -0.570 119.880 120.400 0.084 0.000 2.350 710 D HA -0.101 4.538 4.640 -0.002 0.000 0.216 710 D C 1.561 177.847 176.300 -0.022 0.000 0.968 710 D CA 0.185 54.196 54.000 0.019 0.000 0.894 710 D CB -0.093 40.692 40.800 -0.025 0.000 0.909 710 D HN 0.206 nan 8.370 nan 0.000 0.520 711 F N -1.079 118.761 119.950 -0.183 0.000 2.219 711 F HA -0.009 4.517 4.527 -0.002 0.000 0.294 711 F C 1.685 177.262 175.800 -0.371 0.000 1.086 711 F CA 0.782 58.558 58.000 -0.373 0.000 1.330 711 F CB -0.115 38.526 39.000 -0.599 0.000 1.047 711 F HN -0.092 nan 8.300 nan 0.000 0.495 712 W N 1.040 122.334 121.300 -0.010 0.000 2.937 712 W HA 0.083 4.742 4.660 -0.002 0.000 0.245 712 W C 1.561 178.062 176.519 -0.031 0.000 1.306 712 W CA -0.114 57.204 57.345 -0.045 0.000 1.470 712 W CB -0.073 29.356 29.460 -0.051 0.000 1.132 712 W HN -0.248 nan 8.180 nan 0.000 0.675 716 W N 3.681 124.964 121.300 -0.029 0.000 2.539 716 W HA 0.089 4.748 4.660 -0.002 0.000 0.281 716 W C 1.571 178.045 176.519 -0.075 0.000 1.220 716 W CA 1.064 58.384 57.345 -0.041 0.000 1.332 716 W CB 0.448 29.910 29.460 0.003 0.000 1.095 716 W HN 0.084 nan 8.180 nan 0.000 0.571 717 E N -0.121 120.093 120.200 0.023 0.000 2.358 717 E HA -0.145 4.204 4.350 -0.002 0.000 0.195 717 E C 1.724 178.255 176.600 -0.115 0.000 1.010 717 E CA 0.585 56.943 56.400 -0.071 0.000 0.856 717 E CB 0.097 29.805 29.700 0.014 0.000 0.795 717 E HN 0.264 nan 8.360 nan 0.000 0.504 718 Q N 0.142 119.870 119.800 -0.119 0.000 2.247 718 Q HA 0.106 4.445 4.340 -0.002 0.000 0.211 718 Q C -0.152 175.771 176.000 -0.127 0.000 0.861 718 Q CA 0.010 55.756 55.803 -0.094 0.000 0.949 718 Q CB 0.676 29.359 28.738 -0.092 0.000 1.115 718 Q HN 0.110 nan 8.270 nan 0.000 0.507 719 K N 0.516 120.769 120.400 -0.245 0.000 3.077 719 K HA -0.190 4.129 4.320 -0.002 0.000 0.264 719 K C -0.371 176.126 176.600 -0.171 0.000 1.008 719 K CA 0.481 56.544 56.287 -0.373 0.000 0.740 719 K CB -1.458 30.808 32.500 -0.389 0.000 1.273 719 K HN 0.272 nan 8.250 nan 0.000 0.477 720 A N 0.762 123.526 122.820 -0.094 0.000 2.309 720 A HA 0.481 4.800 4.320 -0.002 0.000 0.298 720 A C 0.970 178.579 177.584 0.042 0.000 1.165 720 A CA 0.253 52.286 52.037 -0.007 0.000 0.821 720 A CB 0.506 19.486 19.000 -0.034 0.000 1.102 720 A HN 0.391 nan 8.150 nan 0.000 0.500 721 T N -1.196 113.422 114.554 0.108 0.000 3.393 721 T HA 0.465 4.814 4.350 -0.002 0.000 0.298 721 T C -0.447 174.346 174.700 0.155 0.000 1.004 721 T CA -0.135 62.054 62.100 0.148 0.000 0.956 721 T CB -0.519 68.472 68.868 0.206 0.000 1.182 721 T HN 0.650 nan 8.240 nan 0.000 0.497 722 V N 1.864 121.863 119.914 0.141 0.000 2.614 722 V HA 0.439 4.558 4.120 -0.002 0.000 0.281 722 V C -0.775 175.392 176.094 0.121 0.000 1.031 722 V CA -0.875 61.519 62.300 0.156 0.000 0.899 722 V CB 1.410 33.343 31.823 0.184 0.000 1.037 722 V HN 0.519 nan 8.190 nan 0.000 0.456 723 I N 4.655 125.296 120.570 0.118 0.000 2.392 723 I HA 0.661 4.829 4.170 -0.002 0.000 0.295 723 I C -0.189 175.904 176.117 -0.040 0.000 0.985 723 I CA -0.627 60.723 61.300 0.083 0.000 1.221 723 I CB 1.990 40.108 38.000 0.196 0.000 1.366 723 I HN 0.288 nan 8.210 nan 0.000 0.467 727 T N 2.210 116.727 114.554 -0.060 0.000 2.632 727 T HA 0.524 4.873 4.350 -0.002 0.000 0.290 727 T C -1.954 172.784 174.700 0.064 0.000 1.899 727 T CA -0.554 61.539 62.100 -0.012 0.000 0.946 727 T CB 1.713 70.565 68.868 -0.026 0.000 2.024 727 T HN 0.470 nan 8.240 nan 0.000 0.471 728 R N 0.289 120.837 120.500 0.080 0.000 2.628 728 R HA 0.478 4.817 4.340 -0.002 0.000 0.288 728 R C 1.053 177.410 176.300 0.096 0.000 0.980 728 R CA -0.703 55.458 56.100 0.100 0.000 0.891 728 R CB 1.172 31.523 30.300 0.084 0.000 1.188 728 R HN 0.775 nan 8.270 nan 0.000 0.450 729 C N 0.845 120.202 119.300 0.096 0.000 2.403 729 C HA -0.077 4.381 4.460 -0.002 0.000 0.277 729 C C 0.630 175.647 174.990 0.045 0.000 1.248 729 C CA 0.794 59.846 59.018 0.056 0.000 1.762 729 C CB -0.614 27.124 27.740 -0.003 0.000 2.014 729 C HN 0.565 nan 8.230 nan 0.000 0.486 730 E N 0.970 121.197 120.200 0.046 0.000 2.199 730 E HA 0.539 4.888 4.350 -0.002 0.000 0.265 730 E C -0.894 175.739 176.600 0.054 0.000 0.882 730 E CA 0.087 56.513 56.400 0.043 0.000 0.759 730 E CB 1.498 31.214 29.700 0.026 0.000 1.148 730 E HN 0.549 nan 8.360 nan 0.000 0.412 731 E N 0.122 120.359 120.200 0.061 0.000 2.287 731 E HA 0.422 4.770 4.350 -0.002 0.000 0.274 731 E C -0.043 176.595 176.600 0.063 0.000 0.896 731 E CA -0.592 55.849 56.400 0.067 0.000 0.788 731 E CB 1.912 31.662 29.700 0.084 0.000 1.244 731 E HN 0.680 nan 8.360 nan 0.000 0.408 732 G N 3.806 112.638 108.800 0.053 0.000 2.249 732 G HA2 -0.369 3.589 3.960 -0.002 0.000 0.273 732 G HA3 -0.369 3.589 3.960 -0.002 0.000 0.273 732 G C 0.496 175.420 174.900 0.040 0.000 1.036 732 G CA 0.489 45.616 45.100 0.046 0.000 0.824 732 G HN 0.788 nan 8.290 nan 0.000 0.504 733 N N -1.923 116.799 118.700 0.036 0.000 2.828 733 N HA -0.180 4.559 4.740 -0.002 0.000 0.248 733 N C 0.596 176.126 175.510 0.034 0.000 1.044 733 N CA 1.950 55.018 53.050 0.030 0.000 0.851 733 N CB -0.392 38.110 38.487 0.025 0.000 1.136 733 N HN 0.858 nan 8.380 nan 0.000 0.572 734 R N 0.482 121.009 120.500 0.045 0.000 2.778 734 R HA 0.353 4.692 4.340 -0.002 0.000 0.277 734 R C -0.094 176.240 176.300 0.056 0.000 0.977 734 R CA -0.825 55.307 56.100 0.053 0.000 0.950 734 R CB 1.090 31.433 30.300 0.071 0.000 1.165 734 R HN -0.031 nan 8.270 nan 0.000 0.474 735 N N 1.538 120.268 118.700 0.049 0.000 2.458 735 N HA 0.047 4.786 4.740 -0.002 0.000 0.270 735 N C -0.099 175.450 175.510 0.065 0.000 1.102 735 N CA 0.094 53.167 53.050 0.039 0.000 0.967 735 N CB 0.923 39.419 38.487 0.014 0.000 1.078 735 N HN 0.387 nan 8.380 nan 0.000 0.471 736 K N 1.061 121.504 120.400 0.071 0.000 2.402 736 K HA 0.199 4.518 4.320 -0.002 0.000 0.203 736 K C -0.385 176.261 176.600 0.077 0.000 1.077 736 K CA -0.042 56.308 56.287 0.106 0.000 1.051 736 K CB -0.279 32.292 32.500 0.118 0.000 0.907 736 K HN 0.498 nan 8.250 nan 0.000 0.554 737 C N 0.467 119.795 119.300 0.046 0.000 3.259 737 C HA 0.602 5.061 4.460 -0.002 0.000 0.431 737 C C -0.975 174.015 174.990 0.001 0.000 0.967 737 C CA -1.054 57.986 59.018 0.036 0.000 1.175 737 C CB 0.228 28.045 27.740 0.129 0.000 1.566 737 C HN 0.446 nan 8.230 nan 0.000 0.615 738 A N 3.377 126.180 122.820 -0.028 0.000 2.351 738 A HA 0.549 4.868 4.320 -0.002 0.000 0.257 738 A C 0.117 177.636 177.584 -0.109 0.000 1.087 738 A CA -0.028 51.977 52.037 -0.054 0.000 0.798 738 A CB 0.265 19.244 19.000 -0.034 0.000 1.033 738 A HN 0.920 nan 8.150 nan 0.000 0.488 739 E N 1.175 121.226 120.200 -0.249 0.000 1.893 739 E HA 0.223 4.572 4.350 -0.002 0.000 0.269 739 E C -0.604 175.750 176.600 -0.410 0.000 1.129 739 E CA -0.315 55.709 56.400 -0.626 0.000 0.904 739 E CB -0.048 29.176 29.700 -0.794 0.000 1.077 739 E HN 0.644 nan 8.360 nan 0.000 0.407 740 Y N 2.824 123.023 120.300 -0.168 0.000 2.471 740 Y HA 0.216 4.765 4.550 -0.002 0.000 0.321 740 Y C -0.664 175.414 175.900 0.297 0.000 1.195 740 Y CA -1.096 56.988 58.100 -0.026 0.000 1.272 740 Y CB -0.807 37.463 38.460 -0.317 0.000 1.097 740 Y HN 0.290 nan 8.280 nan 0.000 0.507 741 W N -0.126 121.262 121.300 0.146 0.000 3.031 741 W HA 0.757 5.416 4.660 -0.002 0.000 0.337 741 W C -3.222 173.430 176.519 0.222 0.000 1.187 741 W CA -3.280 54.214 57.345 0.249 0.000 1.166 741 W CB 0.550 29.989 29.460 -0.034 0.000 1.437 741 W HN -0.266 nan 8.180 nan 0.000 0.551 742 P HA 0.127 nan 4.420 nan 0.000 0.275 742 P C 0.109 177.575 177.300 0.276 0.000 1.227 742 P CA 0.105 63.340 63.100 0.224 0.000 0.781 742 P CB 1.588 33.389 31.700 0.167 0.000 0.906 746 E N 1.653 121.846 120.200 -0.012 0.000 2.208 746 E HA -0.205 4.144 4.350 -0.002 0.000 0.202 746 E C 1.497 178.087 176.600 -0.016 0.000 1.014 746 E CA 1.445 57.831 56.400 -0.023 0.000 0.819 746 E CB -0.097 29.583 29.700 -0.033 0.000 0.735 746 E HN 0.466 nan 8.360 nan 0.000 0.469 747 G N 0.603 109.406 108.800 0.006 0.000 2.609 747 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.235 747 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.235 747 G C 0.584 175.487 174.900 0.005 0.000 1.177 747 G CA 0.961 46.066 45.100 0.008 0.000 0.707 747 G HN 0.362 nan 8.290 nan 0.000 0.513 748 T N -0.125 114.418 114.554 -0.018 0.000 3.105 748 T HA 0.614 4.962 4.350 -0.002 0.000 0.321 748 T C -0.767 173.886 174.700 -0.079 0.000 1.135 748 T CA -0.109 61.967 62.100 -0.039 0.000 1.053 748 T CB 2.322 71.159 68.868 -0.052 0.000 1.133 748 T HN 0.748 nan 8.240 nan 0.000 0.463 749 R N 1.656 122.091 120.500 -0.108 0.000 2.604 749 R HA 0.795 5.134 4.340 -0.002 0.000 0.281 749 R C -1.782 174.330 176.300 -0.314 0.000 1.020 749 R CA -0.717 55.236 56.100 -0.244 0.000 0.899 749 R CB 1.475 31.588 30.300 -0.312 0.000 1.205 749 R HN 0.724 nan 8.270 nan 0.000 0.450 750 A N 4.514 127.115 122.820 -0.365 0.000 2.287 750 A HA 0.577 4.896 4.320 -0.002 0.000 0.317 750 A C -1.326 176.056 177.584 -0.336 0.000 1.220 750 A CA -0.573 51.303 52.037 -0.269 0.000 0.835 750 A CB 0.324 19.216 19.000 -0.180 0.000 1.180 750 A HN 0.534 nan 8.150 nan 0.000 0.500 751 F N 2.733 122.610 119.950 -0.121 0.000 2.404 751 F HA 0.534 5.059 4.527 -0.002 0.000 0.358 751 F C 1.412 177.201 175.800 -0.018 0.000 1.120 751 F CA 0.652 58.647 58.000 -0.008 0.000 1.144 751 F CB 0.734 39.819 39.000 0.142 0.000 1.133 751 F HN 1.125 nan 8.300 nan 0.000 0.495 752 G N 3.354 112.217 108.800 0.104 0.000 2.591 752 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.298 752 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.298 752 G C 0.661 175.553 174.900 -0.013 0.000 1.195 752 G CA 0.523 45.654 45.100 0.051 0.000 0.989 752 G HN 0.524 nan 8.290 nan 0.000 0.551 753 D N 0.313 120.691 120.400 -0.036 0.000 2.339 753 D HA 0.268 4.906 4.640 -0.002 0.000 0.217 753 D C 0.891 177.074 176.300 -0.195 0.000 1.050 753 D CA 0.457 54.394 54.000 -0.104 0.000 0.856 753 D CB 0.476 41.215 40.800 -0.100 0.000 0.922 753 D HN 0.288 nan 8.370 nan 0.000 0.518 754 V N 1.889 121.708 119.914 -0.158 0.000 2.406 754 V HA 0.157 4.276 4.120 -0.002 0.000 0.272 754 V C 0.391 176.349 176.094 -0.228 0.000 1.043 754 V CA -0.623 61.519 62.300 -0.264 0.000 0.915 754 V CB 1.830 33.573 31.823 -0.134 0.000 0.988 754 V HN -0.216 nan 8.190 nan 0.000 0.466 755 V N 6.434 126.172 119.914 -0.294 0.000 2.348 755 V HA 0.327 4.446 4.120 -0.002 0.000 0.270 755 V C 0.053 175.992 176.094 -0.259 0.000 1.037 755 V CA -0.413 61.748 62.300 -0.231 0.000 0.872 755 V CB 1.368 33.074 31.823 -0.194 0.000 1.002 755 V HN 0.612 nan 8.190 nan 0.000 0.464 756 V N 5.726 125.493 119.914 -0.246 0.000 2.398 756 V HA 0.531 4.650 4.120 -0.002 0.000 0.286 756 V C 0.012 176.044 176.094 -0.104 0.000 1.026 756 V CA -0.697 61.441 62.300 -0.270 0.000 0.868 756 V CB 1.592 33.155 31.823 -0.433 0.000 0.982 756 V HN 0.931 nan 8.190 nan 0.000 0.443 757 K N 5.656 126.012 120.400 -0.073 0.000 2.443 757 K HA 0.634 4.952 4.320 -0.002 0.000 0.252 757 K C -1.396 175.209 176.600 0.008 0.000 0.933 757 K CA -0.651 55.622 56.287 -0.023 0.000 0.792 757 K CB 2.566 35.047 32.500 -0.032 0.000 1.185 757 K HN 0.707 nan 8.250 nan 0.000 0.425 758 I N 4.210 124.805 120.570 0.040 0.000 2.440 758 I HA 0.193 4.362 4.170 -0.002 0.000 0.294 758 I C -0.106 176.035 176.117 0.040 0.000 0.995 758 I CA -0.530 60.802 61.300 0.053 0.000 1.306 758 I CB 1.091 39.150 38.000 0.098 0.000 1.407 758 I HN 0.811 nan 8.210 nan 0.000 0.501 759 N N 4.533 123.253 118.700 0.034 0.000 2.646 759 N HA 0.129 4.868 4.740 -0.002 0.000 0.214 759 N C -0.456 175.078 175.510 0.041 0.000 1.042 759 N CA 0.289 53.356 53.050 0.028 0.000 0.925 759 N CB 0.322 38.818 38.487 0.015 0.000 1.383 759 N HN 0.630 nan 8.380 nan 0.000 0.439 760 Q N -0.120 119.704 119.800 0.040 0.000 2.301 760 Q HA 0.319 4.657 4.340 -0.002 0.000 0.267 760 Q C -1.069 174.990 176.000 0.097 0.000 1.035 760 Q CA -0.469 55.369 55.803 0.058 0.000 0.856 760 Q CB 2.550 31.303 28.738 0.025 0.000 1.337 760 Q HN 0.209 nan 8.270 nan 0.000 0.450 761 H N 1.733 120.813 119.070 0.016 0.000 3.021 761 H HA 0.245 4.800 4.556 -0.002 0.000 0.293 761 H C -1.590 173.766 175.328 0.046 0.000 1.244 761 H CA -0.291 55.771 56.048 0.023 0.000 1.596 761 H CB 0.793 30.573 29.762 0.030 0.000 1.720 761 H HN 0.526 nan 8.280 nan 0.000 0.537 762 K N 2.847 123.269 120.400 0.037 0.000 2.118 762 K HA 0.330 4.649 4.320 -0.002 0.000 0.267 762 K C -0.090 176.565 176.600 0.092 0.000 0.991 762 K CA -0.726 55.625 56.287 0.107 0.000 0.916 762 K CB 1.107 33.663 32.500 0.094 0.000 1.041 762 K HN 0.522 nan 8.250 nan 0.000 0.455 763 R N 4.687 125.296 120.500 0.182 0.000 2.547 763 R HA 0.252 4.591 4.340 -0.002 0.000 0.280 763 R C -1.306 175.134 176.300 0.232 0.000 1.630 763 R CA -0.586 55.628 56.100 0.189 0.000 1.470 763 R CB 0.003 30.450 30.300 0.245 0.000 1.178 763 R HN 0.680 nan 8.270 nan 0.000 0.591 764 C N 3.321 122.652 119.300 0.051 0.000 2.480 764 C HA 0.278 4.737 4.460 -0.002 0.000 0.358 764 C C -0.817 174.044 174.990 -0.215 0.000 1.309 764 C CA -1.486 57.440 59.018 -0.154 0.000 2.465 764 C CB 1.431 28.833 27.740 -0.564 0.000 2.379 764 C HN 0.587 nan 8.230 nan 0.000 0.642 765 P HA -0.149 nan 4.420 nan 0.000 0.218 765 P C 0.545 177.663 177.300 -0.304 0.000 1.147 765 P CA 1.785 64.645 63.100 -0.400 0.000 0.827 765 P CB 0.077 31.299 31.700 -0.798 0.000 0.778 766 D N -4.234 115.925 120.400 -0.401 0.000 2.415 766 D HA 0.078 4.717 4.640 -0.002 0.000 0.269 766 D C 0.342 176.515 176.300 -0.213 0.000 1.099 766 D CA 0.278 54.074 54.000 -0.340 0.000 0.865 766 D CB 0.562 41.228 40.800 -0.224 0.000 1.359 766 D HN 0.291 nan 8.370 nan 0.000 0.506 767 Y N 0.721 120.988 120.300 -0.054 0.000 2.545 767 Y HA 0.624 5.172 4.550 -0.002 0.000 0.348 767 Y C -0.618 175.292 175.900 0.018 0.000 1.002 767 Y CA -1.675 56.433 58.100 0.014 0.000 1.039 767 Y CB 1.223 39.760 38.460 0.129 0.000 1.271 767 Y HN -0.243 nan 8.280 nan 0.000 0.467 768 I N 1.240 121.928 120.570 0.197 0.000 2.418 768 I HA 0.617 4.786 4.170 -0.002 0.000 0.287 768 I C -1.368 174.761 176.117 0.019 0.000 1.008 768 I CA -0.958 60.374 61.300 0.053 0.000 1.104 768 I CB 1.603 39.570 38.000 -0.056 0.000 1.264 768 I HN 0.616 nan 8.210 nan 0.000 0.438 769 I N 6.063 126.653 120.570 0.032 0.000 2.315 769 I HA 0.342 4.511 4.170 -0.002 0.000 0.291 769 I C -0.087 175.952 176.117 -0.129 0.000 1.006 769 I CA -0.240 61.062 61.300 0.004 0.000 1.265 769 I CB 1.279 39.335 38.000 0.094 0.000 1.387 769 I HN 0.640 nan 8.210 nan 0.000 0.475 770 Q N 5.131 124.852 119.800 -0.132 0.000 2.306 770 Q HA 0.470 4.809 4.340 -0.002 0.000 0.265 770 Q C -0.849 175.098 176.000 -0.089 0.000 1.022 770 Q CA -1.119 54.594 55.803 -0.151 0.000 0.853 770 Q CB 2.558 31.140 28.738 -0.259 0.000 1.327 770 Q HN 0.243 nan 8.270 nan 0.000 0.449 771 K N 2.271 122.636 120.400 -0.060 0.000 2.464 771 K HA 0.361 4.679 4.320 -0.002 0.000 0.252 771 K C -1.413 175.186 176.600 -0.003 0.000 1.000 771 K CA -0.243 56.018 56.287 -0.043 0.000 0.951 771 K CB 0.431 32.904 32.500 -0.045 0.000 1.183 771 K HN 0.350 nan 8.250 nan 0.000 0.445 772 L N 1.566 122.804 121.223 0.026 0.000 2.376 772 L HA 0.558 4.896 4.340 -0.002 0.000 0.267 772 L C -0.141 176.751 176.870 0.037 0.000 1.035 772 L CA -0.718 54.148 54.840 0.042 0.000 0.800 772 L CB 0.949 43.061 42.059 0.090 0.000 1.290 772 L HN 0.502 nan 8.230 nan 0.000 0.462 773 N N 0.489 119.198 118.700 0.015 0.000 2.558 773 N HA 0.517 5.256 4.740 -0.002 0.000 0.285 773 N C -1.363 174.133 175.510 -0.023 0.000 1.112 773 N CA -0.450 52.607 53.050 0.011 0.000 0.857 773 N CB 0.867 39.354 38.487 0.000 0.000 1.376 773 N HN 0.572 nan 8.380 nan 0.000 0.526 774 I N 1.154 121.730 120.570 0.010 0.000 2.562 774 I HA 0.885 5.053 4.170 -0.002 0.000 0.301 774 I C -0.750 175.362 176.117 -0.009 0.000 1.003 774 I CA -1.046 60.220 61.300 -0.057 0.000 1.127 774 I CB 1.741 39.718 38.000 -0.038 0.000 1.304 774 I HN 0.234 nan 8.210 nan 0.000 0.446 775 V N 2.083 121.840 119.914 -0.261 0.000 3.147 775 V HA 0.517 4.635 4.120 -0.002 0.000 0.299 775 V C -1.650 173.961 176.094 -0.805 0.000 1.302 775 V CA -0.697 61.345 62.300 -0.429 0.000 1.015 775 V CB 1.873 33.613 31.823 -0.137 0.000 1.086 775 V HN 0.985 nan 8.190 nan 0.000 0.437 776 N N 3.101 121.133 118.700 -1.114 0.000 2.426 776 N HA 0.377 5.116 4.740 -0.002 0.000 0.257 776 N C 0.317 175.627 175.510 -0.332 0.000 1.002 776 N CA -0.420 52.144 53.050 -0.809 0.000 0.942 776 N CB 1.781 39.740 38.487 -0.879 0.000 1.112 776 N HN 0.785 nan 8.380 nan 0.000 0.499 777 K N 2.264 122.521 120.400 -0.239 0.000 2.400 777 K HA 0.018 4.336 4.320 -0.002 0.000 0.194 777 K C 0.309 176.859 176.600 -0.083 0.000 1.033 777 K CA 0.320 56.530 56.287 -0.130 0.000 1.021 777 K CB 0.256 32.688 32.500 -0.114 0.000 0.808 777 K HN 0.482 nan 8.250 nan 0.000 0.505 778 K N 1.615 121.960 120.400 -0.092 0.000 2.997 778 K HA 0.019 4.337 4.320 -0.002 0.000 0.249 778 K C -1.021 175.569 176.600 -0.017 0.000 1.284 778 K CA 0.196 56.454 56.287 -0.048 0.000 1.245 778 K CB -0.031 32.440 32.500 -0.050 0.000 1.670 778 K HN -0.022 nan 8.250 nan 0.000 0.385 779 E N 2.009 122.210 120.200 0.003 0.000 2.488 779 E HA -0.032 4.317 4.350 -0.002 0.000 0.275 779 E C -1.435 175.213 176.600 0.079 0.000 1.124 779 E CA -0.207 56.227 56.400 0.057 0.000 0.584 779 E CB 0.231 29.994 29.700 0.106 0.000 1.175 779 E HN 0.193 nan 8.360 nan 0.000 0.410 780 K N 1.922 122.357 120.400 0.058 0.000 2.321 780 K HA 0.179 4.497 4.320 -0.002 0.000 0.266 780 K C -0.347 176.313 176.600 0.100 0.000 1.215 780 K CA 1.220 57.545 56.287 0.063 0.000 1.225 780 K CB 0.218 32.745 32.500 0.045 0.000 0.827 780 K HN 0.387 nan 8.250 nan 0.000 0.478 781 A N 2.129 125.030 122.820 0.135 0.000 2.605 781 A HA 0.446 4.765 4.320 -0.002 0.000 0.294 781 A C -0.464 177.235 177.584 0.191 0.000 1.062 781 A CA -0.972 51.174 52.037 0.182 0.000 0.682 781 A CB 1.237 20.410 19.000 0.288 0.000 1.278 781 A HN 0.507 nan 8.150 nan 0.000 0.410 782 T N -0.065 114.593 114.554 0.173 0.000 2.907 782 T HA 0.639 4.987 4.350 -0.002 0.000 0.284 782 T C 0.810 175.630 174.700 0.199 0.000 1.004 782 T CA 0.104 62.291 62.100 0.146 0.000 1.063 782 T CB 1.280 70.201 68.868 0.088 0.000 0.992 782 T HN 1.806 nan 8.240 nan 0.000 0.483 783 G N 1.891 110.776 108.800 0.142 0.000 2.568 783 G HA2 0.350 4.308 3.960 -0.002 0.000 0.231 783 G HA3 0.350 4.308 3.960 -0.002 0.000 0.231 783 G C -0.244 174.733 174.900 0.128 0.000 1.261 783 G CA -0.721 44.466 45.100 0.144 0.000 0.855 783 G HN 0.851 nan 8.290 nan 0.000 0.576 784 R N 0.975 121.565 120.500 0.151 0.000 2.686 784 R HA 0.312 4.650 4.340 -0.002 0.000 0.286 784 R C -1.218 175.132 176.300 0.083 0.000 0.969 784 R CA -0.937 55.220 56.100 0.096 0.000 0.898 784 R CB 2.047 32.372 30.300 0.041 0.000 1.183 784 R HN 0.545 nan 8.270 nan 0.000 0.456 785 E N 1.682 121.915 120.200 0.055 0.000 2.180 785 E HA 0.245 4.593 4.350 -0.002 0.000 0.283 785 E C -0.393 176.259 176.600 0.087 0.000 1.061 785 E CA -0.454 55.976 56.400 0.051 0.000 0.861 785 E CB 0.876 30.589 29.700 0.020 0.000 1.056 785 E HN 0.185 nan 8.360 nan 0.000 0.407 786 V N 3.050 123.024 119.914 0.099 0.000 2.667 786 V HA 0.482 4.601 4.120 -0.002 0.000 0.308 786 V C 0.083 176.227 176.094 0.084 0.000 1.048 786 V CA -0.857 61.525 62.300 0.137 0.000 0.928 786 V CB 2.188 34.156 31.823 0.241 0.000 1.004 786 V HN 0.701 nan 8.190 nan 0.000 0.444 787 T N 3.669 118.261 114.554 0.064 0.000 2.786 787 T HA 0.376 4.725 4.350 -0.002 0.000 0.283 787 T C -0.755 173.990 174.700 0.076 0.000 0.992 787 T CA -0.211 61.860 62.100 -0.049 0.000 0.954 787 T CB 0.177 68.884 68.868 -0.268 0.000 0.934 787 T HN 0.742 nan 8.240 nan 0.000 0.440 788 H N 4.632 123.667 119.070 -0.059 0.000 2.587 788 H HA 0.519 5.074 4.556 -0.002 0.000 0.325 788 H C -1.118 174.162 175.328 -0.081 0.000 1.012 788 H CA -0.703 55.322 56.048 -0.039 0.000 1.213 788 H CB 0.543 30.258 29.762 -0.078 0.000 1.431 788 H HN 0.545 nan 8.280 nan 0.000 0.492 789 I N 3.954 124.374 120.570 -0.250 0.000 2.493 789 I HA 0.266 4.435 4.170 -0.002 0.000 0.298 789 I C -0.185 175.753 176.117 -0.300 0.000 0.998 789 I CA -0.817 60.400 61.300 -0.138 0.000 1.137 789 I CB 2.249 40.224 38.000 -0.043 0.000 1.310 789 I HN 0.444 nan 8.210 nan 0.000 0.445 790 Q N 5.211 124.947 119.800 -0.107 0.000 2.309 790 Q HA 0.384 4.722 4.340 -0.002 0.000 0.270 790 Q C -1.834 174.243 176.000 0.129 0.000 1.023 790 Q CA -0.652 55.122 55.803 -0.049 0.000 0.758 790 Q CB 1.824 30.559 28.738 -0.004 0.000 1.247 790 Q HN 0.614 nan 8.270 nan 0.000 0.455 791 F N 3.836 123.783 119.950 -0.005 0.000 2.390 791 F HA 0.286 4.812 4.527 -0.002 0.000 0.361 791 F C 0.530 176.403 175.800 0.121 0.000 1.124 791 F CA -0.086 57.974 58.000 0.100 0.000 1.149 791 F CB 1.197 40.257 39.000 0.100 0.000 1.160 791 F HN 0.620 nan 8.300 nan 0.000 0.501 792 T N -0.285 114.078 114.554 -0.318 0.000 3.086 792 T HA 0.051 4.400 4.350 -0.002 0.000 0.250 792 T C 0.981 175.512 174.700 -0.282 0.000 1.074 792 T CA 0.179 62.162 62.100 -0.196 0.000 0.988 792 T CB -0.108 68.708 68.868 -0.087 0.000 0.988 792 T HN 0.428 nan 8.240 nan 0.000 0.530 793 S N 1.391 116.667 115.700 -0.707 0.000 2.552 793 S HA 0.228 4.696 4.470 -0.002 0.000 0.246 793 S C -0.864 173.760 174.600 0.040 0.000 1.019 793 S CA -0.809 57.167 58.200 -0.373 0.000 1.045 793 S CB -0.253 62.676 63.200 -0.451 0.000 0.784 793 S HN 0.572 nan 8.310 nan 0.000 0.453 794 W N 3.480 124.789 121.300 0.015 0.000 2.499 794 W HA 0.444 5.103 4.660 -0.002 0.000 0.320 794 W C -3.446 173.140 176.519 0.112 0.000 1.010 794 W CA -3.140 54.327 57.345 0.204 0.000 1.267 794 W CB 1.059 30.760 29.460 0.402 0.000 1.316 794 W HN -0.006 nan 8.180 nan 0.000 0.431 795 P HA 0.023 nan 4.420 nan 0.000 0.276 795 P C -0.256 177.231 177.300 0.312 0.000 1.235 795 P CA 0.142 63.440 63.100 0.329 0.000 0.772 795 P CB 0.756 32.598 31.700 0.238 0.000 0.871 796 D N 2.529 123.045 120.400 0.193 0.000 2.531 796 D HA -0.101 4.538 4.640 -0.002 0.000 0.239 796 D C 0.399 176.867 176.300 0.280 0.000 1.144 796 D CA 0.937 55.026 54.000 0.147 0.000 0.869 796 D CB -0.028 40.884 40.800 0.186 0.000 1.160 796 D HN 0.492 nan 8.370 nan 0.000 0.484 797 H N 0.006 119.116 119.070 0.068 0.000 3.631 797 H HA -0.179 4.375 4.556 -0.002 0.000 0.202 797 H C 1.001 176.408 175.328 0.132 0.000 1.029 797 H CA 1.440 57.536 56.048 0.080 0.000 1.208 797 H CB -1.305 28.487 29.762 0.050 0.000 1.124 797 H HN 0.444 nan 8.280 nan 0.000 0.329 798 G N -0.353 108.627 108.800 0.300 0.000 3.019 798 G HA2 0.674 4.633 3.960 -0.002 0.000 0.152 798 G HA3 0.674 4.633 3.960 -0.002 0.000 0.152 798 G C -0.138 174.961 174.900 0.331 0.000 1.320 798 G CA 0.135 45.397 45.100 0.271 0.000 1.013 798 G HN 0.784 nan 8.290 nan 0.000 0.593 799 V N -3.725 116.294 119.914 0.176 0.000 3.178 799 V HA 0.677 4.795 4.120 -0.002 0.000 0.302 799 V C -2.936 173.009 176.094 -0.250 0.000 1.262 799 V CA -1.743 60.490 62.300 -0.111 0.000 1.030 799 V CB 1.342 33.105 31.823 -0.099 0.000 1.074 799 V HN 0.540 nan 8.190 nan 0.000 0.438 800 P HA 0.364 nan 4.420 nan 0.000 0.306 800 P C 0.133 177.374 177.300 -0.098 0.000 1.301 800 P CA 0.171 63.125 63.100 -0.244 0.000 0.744 800 P CB 0.589 32.124 31.700 -0.274 0.000 1.400 801 E N -0.955 119.228 120.200 -0.028 0.000 2.065 801 E HA 0.069 4.418 4.350 -0.002 0.000 0.191 801 E C 0.044 176.651 176.600 0.013 0.000 0.960 801 E CA 1.001 57.405 56.400 0.007 0.000 0.824 801 E CB -0.464 29.255 29.700 0.031 0.000 0.793 801 E HN 0.391 nan 8.360 nan 0.000 0.459 802 D N -0.648 119.766 120.400 0.024 0.000 2.375 802 D HA 0.221 4.860 4.640 -0.002 0.000 0.247 802 D C -2.114 174.201 176.300 0.025 0.000 1.061 802 D CA -2.452 51.577 54.000 0.048 0.000 0.834 802 D CB 1.804 42.658 40.800 0.090 0.000 1.247 802 D HN -0.285 nan 8.370 nan 0.000 0.489 803 P HA -0.212 nan 4.420 nan 0.000 0.217 803 P C 0.849 178.167 177.300 0.030 0.000 1.151 803 P CA 1.206 64.296 63.100 -0.017 0.000 0.849 803 P CB 0.025 31.730 31.700 0.008 0.000 0.787 804 H N -0.722 118.363 119.070 0.026 0.000 2.492 804 H HA -0.093 4.462 4.556 -0.002 0.000 0.296 804 H C 1.698 177.050 175.328 0.040 0.000 1.095 804 H CA 1.140 57.219 56.048 0.052 0.000 1.281 804 H CB -0.968 28.841 29.762 0.078 0.000 1.374 804 H HN 0.068 nan 8.280 nan 0.000 0.545 805 L N -1.016 120.167 121.223 -0.067 0.000 2.056 805 L HA -0.152 4.186 4.340 -0.002 0.000 0.207 805 L C 2.113 178.879 176.870 -0.174 0.000 1.078 805 L CA 0.615 55.429 54.840 -0.044 0.000 0.749 805 L CB -0.321 41.831 42.059 0.156 0.000 0.901 805 L HN 0.292 nan 8.230 nan 0.000 0.433 806 L N -0.676 120.393 121.223 -0.256 0.000 2.044 806 L HA -0.169 4.169 4.340 -0.002 0.000 0.205 806 L C 2.259 179.002 176.870 -0.213 0.000 1.075 806 L CA 1.504 56.148 54.840 -0.327 0.000 0.747 806 L CB -0.669 41.198 42.059 -0.320 0.000 0.903 806 L HN 0.113 nan 8.230 nan 0.000 0.435 807 L N -0.592 120.532 121.223 -0.165 0.000 2.261 807 L HA -0.212 4.127 4.340 -0.002 0.000 0.216 807 L C 2.427 179.201 176.870 -0.159 0.000 1.114 807 L CA 1.340 56.116 54.840 -0.106 0.000 0.777 807 L CB -1.326 40.769 42.059 0.060 0.000 0.910 807 L HN 0.315 nan 8.230 nan 0.000 0.440 808 K N 1.286 121.518 120.400 -0.280 0.000 1.973 808 K HA -0.139 4.179 4.320 -0.002 0.000 0.210 808 K C 2.112 178.599 176.600 -0.189 0.000 1.045 808 K CA 1.445 57.583 56.287 -0.249 0.000 0.937 808 K CB -0.650 31.710 32.500 -0.233 0.000 0.721 808 K HN 0.323 nan 8.250 nan 0.000 0.438 809 L N -0.529 120.552 121.223 -0.237 0.000 2.362 809 L HA 0.025 4.363 4.340 -0.002 0.000 0.219 809 L C 2.357 179.043 176.870 -0.307 0.000 1.134 809 L CA 1.104 55.708 54.840 -0.393 0.000 0.807 809 L CB -0.314 41.473 42.059 -0.453 0.000 0.927 809 L HN 0.109 nan 8.230 nan 0.000 0.447 810 R N 1.201 121.606 120.500 -0.158 0.000 2.057 810 R HA -0.160 4.179 4.340 -0.002 0.000 0.229 810 R C 2.465 178.673 176.300 -0.153 0.000 1.136 810 R CA 1.597 57.666 56.100 -0.051 0.000 0.952 810 R CB -0.406 29.858 30.300 -0.060 0.000 0.848 810 R HN 0.448 nan 8.270 nan 0.000 0.430 811 R N 0.479 120.887 120.500 -0.153 0.000 2.154 811 R HA -0.127 4.212 4.340 -0.002 0.000 0.248 811 R C 1.942 178.116 176.300 -0.209 0.000 1.155 811 R CA 1.688 57.708 56.100 -0.134 0.000 0.979 811 R CB -0.036 30.223 30.300 -0.067 0.000 0.869 811 R HN 0.232 nan 8.270 nan 0.000 0.452 812 R N -0.187 120.121 120.500 -0.319 0.000 2.280 812 R HA -0.001 4.338 4.340 -0.002 0.000 0.195 812 R C 2.070 177.728 176.300 -1.072 0.000 0.935 812 R CA 0.829 56.607 56.100 -0.537 0.000 1.033 812 R CB 0.429 30.445 30.300 -0.474 0.000 0.964 812 R HN 0.248 nan 8.270 nan 0.000 0.489 813 V N -2.315 117.155 119.914 -0.739 0.000 2.992 813 V HA 0.021 4.140 4.120 -0.002 0.000 0.250 813 V C 1.186 177.045 176.094 -0.391 0.000 1.090 813 V CA 1.075 62.933 62.300 -0.737 0.000 1.101 813 V CB -0.314 31.332 31.823 -0.295 0.000 0.743 813 V HN 0.162 nan 8.190 nan 0.000 0.468 814 N N 1.444 119.991 118.700 -0.256 0.000 2.381 814 N HA 0.048 4.787 4.740 -0.002 0.000 0.182 814 N C 1.790 177.237 175.510 -0.105 0.000 1.025 814 N CA 1.078 54.054 53.050 -0.122 0.000 0.888 814 N CB -0.162 38.262 38.487 -0.105 0.000 0.965 814 N HN 0.641 nan 8.380 nan 0.000 0.438 815 A N 0.648 123.349 122.820 -0.197 0.000 2.072 815 A HA 0.078 4.397 4.320 -0.002 0.000 0.216 815 A C 0.180 177.860 177.584 0.160 0.000 1.156 815 A CA 0.276 52.281 52.037 -0.054 0.000 0.701 815 A CB -0.069 18.884 19.000 -0.077 0.000 0.816 815 A HN 0.045 nan 8.150 nan 0.000 0.458 816 F N 1.505 121.460 119.950 0.007 0.000 2.471 816 F HA 0.305 4.831 4.527 -0.002 0.000 0.353 816 F C 1.306 177.132 175.800 0.043 0.000 1.113 816 F CA -1.124 56.891 58.000 0.024 0.000 1.262 816 F CB 0.368 39.379 39.000 0.018 0.000 1.146 816 F HN 0.131 nan 8.300 nan 0.000 0.578 817 S N 1.410 117.261 115.700 0.251 0.000 2.505 817 S HA 0.221 4.690 4.470 -0.002 0.000 0.276 817 S C -0.226 174.491 174.600 0.195 0.000 1.274 817 S CA -0.789 57.519 58.200 0.181 0.000 1.053 817 S CB 0.454 63.751 63.200 0.160 0.000 0.919 817 S HN 0.574 nan 8.310 nan 0.000 0.490 818 N N 2.817 121.618 118.700 0.168 0.000 2.816 818 N HA 0.248 4.987 4.740 -0.002 0.000 0.236 818 N C -0.175 175.450 175.510 0.191 0.000 1.076 818 N CA -1.019 52.143 53.050 0.187 0.000 0.902 818 N CB -0.220 38.343 38.487 0.127 0.000 1.149 818 N HN 0.699 nan 8.380 nan 0.000 0.506 819 F N 1.833 121.845 119.950 0.104 0.000 2.333 819 F HA 0.074 4.599 4.527 -0.002 0.000 0.300 819 F C 0.311 175.988 175.800 -0.206 0.000 1.083 819 F CA 1.175 59.149 58.000 -0.043 0.000 1.395 819 F CB 0.184 39.157 39.000 -0.045 0.000 1.056 819 F HN 0.403 nan 8.300 nan 0.000 0.529 820 F N -0.390 119.674 119.950 0.190 0.000 2.668 820 F HA 0.248 4.773 4.527 -0.002 0.000 0.301 820 F C 1.223 177.031 175.800 0.014 0.000 1.106 820 F CA -0.232 57.825 58.000 0.095 0.000 1.289 820 F CB -0.589 38.463 39.000 0.088 0.000 1.006 820 F HN -0.256 nan 8.300 nan 0.000 0.535 821 S N 0.386 116.157 115.700 0.118 0.000 3.477 821 S HA -0.192 4.277 4.470 -0.002 0.000 0.357 821 S C 1.054 175.696 174.600 0.070 0.000 1.083 821 S CA 0.389 58.620 58.200 0.052 0.000 1.042 821 S CB -1.670 61.531 63.200 0.002 0.000 0.911 821 S HN 0.672 nan 8.310 nan 0.000 0.490 822 G N 1.719 110.586 108.800 0.112 0.000 2.588 822 G HA2 0.566 4.525 3.960 -0.002 0.000 0.281 822 G HA3 0.566 4.525 3.960 -0.002 0.000 0.281 822 G C -1.913 173.011 174.900 0.039 0.000 1.236 822 G CA -1.219 43.925 45.100 0.073 0.000 0.969 822 G HN 0.321 nan 8.290 nan 0.000 0.504 823 P HA 0.291 nan 4.420 nan 0.000 0.274 823 P C -0.598 176.713 177.300 0.019 0.000 1.246 823 P CA -0.236 62.871 63.100 0.012 0.000 0.795 823 P CB 1.391 33.108 31.700 0.028 0.000 1.006 824 I N 0.852 121.448 120.570 0.043 0.000 2.330 824 I HA 0.162 4.331 4.170 -0.002 0.000 0.289 824 I C 0.147 176.343 176.117 0.132 0.000 1.001 824 I CA -1.089 60.279 61.300 0.114 0.000 1.193 824 I CB 1.636 39.762 38.000 0.210 0.000 1.345 824 I HN -0.020 nan 8.210 nan 0.000 0.461 825 V N 7.877 127.829 119.914 0.064 0.000 2.427 825 V HA 0.132 4.250 4.120 -0.002 0.000 0.268 825 V C 0.159 176.299 176.094 0.077 0.000 1.046 825 V CA -0.225 62.097 62.300 0.036 0.000 0.970 825 V CB 1.204 33.012 31.823 -0.025 0.000 1.001 825 V HN 0.403 nan 8.190 nan 0.000 0.476 826 V N 6.552 126.510 119.914 0.073 0.000 2.325 826 V HA 0.436 4.555 4.120 -0.002 0.000 0.280 826 V C -0.312 175.797 176.094 0.025 0.000 1.016 826 V CA -0.611 61.694 62.300 0.008 0.000 0.818 826 V CB 0.961 32.799 31.823 0.024 0.000 1.019 826 V HN 1.131 nan 8.190 nan 0.000 0.434 827 H N 2.430 121.476 119.070 -0.041 0.000 2.834 827 H HA 0.934 5.489 4.556 -0.002 0.000 0.369 827 H C 0.119 175.406 175.328 -0.069 0.000 1.174 827 H CA -0.026 56.001 56.048 -0.035 0.000 1.165 827 H CB 2.243 32.022 29.762 0.028 0.000 1.820 827 H HN 0.490 nan 8.280 nan 0.000 0.558 828 S N 0.373 116.108 115.700 0.058 0.000 4.323 828 S HA 0.262 4.731 4.470 -0.002 0.000 0.245 828 S C 1.095 175.782 174.600 0.144 0.000 1.102 828 S CA 0.054 58.235 58.200 -0.031 0.000 1.550 828 S CB 0.553 63.652 63.200 -0.168 0.000 1.359 828 S HN 0.577 nan 8.310 nan 0.000 0.725 829 S N 0.285 116.031 115.700 0.077 0.000 2.355 829 S HA 0.381 4.849 4.470 -0.002 0.000 0.216 829 S C 1.756 176.505 174.600 0.248 0.000 1.037 829 S CA 0.932 59.231 58.200 0.164 0.000 0.955 829 S CB -0.779 62.530 63.200 0.182 0.000 0.877 829 S HN 0.961 nan 8.310 nan 0.000 0.488 830 A N -0.741 122.219 122.820 0.233 0.000 2.197 830 A HA 0.555 4.874 4.320 -0.002 0.000 0.210 830 A C 1.618 179.264 177.584 0.102 0.000 1.180 830 A CA 0.964 53.165 52.037 0.274 0.000 0.846 830 A CB -0.493 18.630 19.000 0.204 0.000 0.884 830 A HN 1.294 nan 8.150 nan 0.000 0.487 831 G N -1.200 107.627 108.800 0.045 0.000 2.176 831 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.253 831 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.253 831 G C 1.181 176.065 174.900 -0.027 0.000 0.979 831 G CA 1.040 46.148 45.100 0.013 0.000 0.641 831 G HN 1.504 nan 8.290 nan 0.000 0.530 832 V N -1.940 117.953 119.914 -0.035 0.000 2.690 832 V HA 0.601 4.720 4.120 -0.002 0.000 0.240 832 V C 2.470 178.532 176.094 -0.053 0.000 1.078 832 V CA 1.725 64.003 62.300 -0.037 0.000 1.102 832 V CB -0.923 30.888 31.823 -0.020 0.000 0.800 832 V HN 0.869 nan 8.190 nan 0.000 0.479 833 G N 0.730 109.472 108.800 -0.096 0.000 2.705 833 G HA2 -0.167 3.791 3.960 -0.002 0.000 0.214 833 G HA3 -0.167 3.791 3.960 -0.002 0.000 0.214 833 G C 1.655 176.463 174.900 -0.153 0.000 1.321 833 G CA 1.038 46.071 45.100 -0.112 0.000 0.826 833 G HN 0.457 nan 8.290 nan 0.000 0.595 834 R N -0.190 120.108 120.500 -0.337 0.000 2.096 834 R HA -0.053 4.286 4.340 -0.002 0.000 0.235 834 R C 3.008 179.005 176.300 -0.505 0.000 1.127 834 R CA 1.771 57.449 56.100 -0.702 0.000 0.968 834 R CB -0.655 28.893 30.300 -1.254 0.000 0.861 834 R HN 0.545 nan 8.270 nan 0.000 0.440 835 T N -1.202 113.164 114.554 -0.314 0.000 2.708 835 T HA -0.091 4.258 4.350 -0.002 0.000 0.266 835 T C 2.112 176.762 174.700 -0.082 0.000 1.037 835 T CA 1.486 63.483 62.100 -0.172 0.000 1.146 835 T CB -0.554 68.241 68.868 -0.120 0.000 0.865 835 T HN 0.338 nan 8.240 nan 0.000 0.435 836 G N 0.775 109.533 108.800 -0.069 0.000 2.469 836 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.219 836 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.219 836 G C 1.802 176.696 174.900 -0.011 0.000 1.150 836 G CA 1.601 46.682 45.100 -0.031 0.000 0.763 836 G HN 0.573 nan 8.290 nan 0.000 0.561 837 T N -0.069 114.501 114.554 0.027 0.000 2.684 837 T HA -0.199 4.149 4.350 -0.002 0.000 0.267 837 T C 1.970 176.714 174.700 0.073 0.000 1.036 837 T CA 1.416 63.572 62.100 0.094 0.000 1.148 837 T CB -0.372 68.664 68.868 0.280 0.000 0.863 837 T HN 0.377 nan 8.240 nan 0.000 0.436 838 Y N 1.961 122.264 120.300 0.004 0.000 2.097 838 Y HA -0.148 4.400 4.550 -0.002 0.000 0.282 838 Y C 2.009 177.804 175.900 -0.175 0.000 1.152 838 Y CA 0.868 58.935 58.100 -0.056 0.000 1.136 838 Y CB -0.705 37.684 38.460 -0.117 0.000 0.975 838 Y HN 0.192 nan 8.280 nan 0.000 0.498 839 I N 0.196 120.474 120.570 -0.486 0.000 2.163 839 I HA -0.318 3.850 4.170 -0.002 0.000 0.243 839 I C 2.778 178.627 176.117 -0.447 0.000 1.085 839 I CA 1.489 62.386 61.300 -0.671 0.000 1.347 839 I CB -1.309 36.369 38.000 -0.536 0.000 1.044 839 I HN 0.398 nan 8.210 nan 0.000 0.408 840 G N 1.826 110.491 108.800 -0.224 0.000 2.599 840 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.219 840 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.219 840 G C 1.606 176.277 174.900 -0.381 0.000 1.193 840 G CA 1.484 46.465 45.100 -0.197 0.000 0.778 840 G HN 0.388 nan 8.290 nan 0.000 0.589 841 I N 0.575 120.922 120.570 -0.372 0.000 2.099 841 I HA -0.172 3.996 4.170 -0.002 0.000 0.239 841 I C 2.510 178.353 176.117 -0.457 0.000 1.066 841 I CA 1.574 62.641 61.300 -0.387 0.000 1.324 841 I CB -0.563 37.243 38.000 -0.323 0.000 1.037 841 I HN 0.121 nan 8.210 nan 0.000 0.401 842 D N 1.439 121.495 120.400 -0.572 0.000 2.154 842 D HA -0.155 4.484 4.640 -0.002 0.000 0.190 842 D C 1.272 177.354 176.300 -0.364 0.000 1.003 842 D CA 1.537 55.251 54.000 -0.477 0.000 0.849 842 D CB -0.136 40.336 40.800 -0.547 0.000 0.942 842 D HN 0.327 nan 8.370 nan 0.000 0.446 846 E N 1.173 121.103 120.200 -0.451 0.000 2.058 846 E HA -0.175 4.173 4.350 -0.002 0.000 0.194 846 E C 1.882 178.040 176.600 -0.736 0.000 0.997 846 E CA 1.527 57.664 56.400 -0.439 0.000 0.801 846 E CB -0.208 29.300 29.700 -0.320 0.000 0.746 846 E HN 0.539 nan 8.360 nan 0.000 0.450 847 G N 0.930 108.990 108.800 -1.234 0.000 2.501 847 G HA2 -0.221 3.737 3.960 -0.002 0.000 0.220 847 G HA3 -0.221 3.737 3.960 -0.002 0.000 0.220 847 G C 1.415 175.941 174.900 -0.623 0.000 1.114 847 G CA 0.326 44.448 45.100 -1.629 0.000 0.757 847 G HN 0.150 nan 8.290 nan 0.000 0.559 848 L N -0.688 120.283 121.223 -0.421 0.000 2.286 848 L HA 0.258 4.597 4.340 -0.002 0.000 0.203 848 L C 2.178 178.955 176.870 -0.156 0.000 1.068 848 L CA 0.396 55.107 54.840 -0.215 0.000 0.811 848 L CB 0.084 42.041 42.059 -0.170 0.000 0.989 848 L HN 0.204 nan 8.230 nan 0.000 0.467 849 E N 0.111 120.200 120.200 -0.184 0.000 2.505 849 E HA -0.035 4.313 4.350 -0.002 0.000 0.197 849 E C 1.131 177.676 176.600 -0.092 0.000 1.111 849 E CA 0.494 56.831 56.400 -0.104 0.000 0.887 849 E CB 0.254 29.886 29.700 -0.114 0.000 0.913 849 E HN 0.528 nan 8.360 nan 0.000 0.517 850 A N 0.604 123.352 122.820 -0.120 0.000 1.933 850 A HA 0.103 4.422 4.320 -0.002 0.000 0.198 850 A C 1.354 178.951 177.584 0.022 0.000 1.617 850 A CA -0.092 51.929 52.037 -0.027 0.000 1.039 850 A CB 0.570 19.584 19.000 0.022 0.000 1.066 850 A HN 0.077 nan 8.150 nan 0.000 0.484 851 E N -0.458 119.742 120.200 0.000 0.000 2.715 851 E HA 0.144 4.493 4.350 -0.002 0.000 0.224 851 E C -0.636 175.948 176.600 -0.027 0.000 0.962 851 E CA -0.140 56.276 56.400 0.026 0.000 1.145 851 E CB 0.308 30.076 29.700 0.113 0.000 1.083 851 E HN 0.477 nan 8.360 nan 0.000 0.506 852 N N 2.025 120.695 118.700 -0.050 0.000 2.693 852 N HA -0.234 4.505 4.740 -0.002 0.000 0.249 852 N C -1.017 174.468 175.510 -0.040 0.000 1.119 852 N CA 1.700 54.714 53.050 -0.060 0.000 0.717 852 N CB -1.055 37.377 38.487 -0.090 0.000 1.071 852 N HN 0.399 nan 8.380 nan 0.000 0.555 853 K N -2.321 118.081 120.400 0.003 0.000 2.533 853 K HA 0.806 5.125 4.320 -0.002 0.000 0.272 853 K C -1.071 175.562 176.600 0.056 0.000 0.985 853 K CA -1.031 55.311 56.287 0.091 0.000 0.876 853 K CB 2.289 34.895 32.500 0.177 0.000 1.452 853 K HN 0.055 nan 8.250 nan 0.000 0.439 854 V N -1.700 118.268 119.914 0.089 0.000 2.697 854 V HA 0.355 4.474 4.120 -0.002 0.000 0.300 854 V C -1.669 174.496 176.094 0.119 0.000 1.115 854 V CA -0.664 61.668 62.300 0.053 0.000 0.912 854 V CB 1.528 33.340 31.823 -0.017 0.000 1.024 854 V HN 0.923 nan 8.190 nan 0.000 0.431 855 D N 3.652 124.146 120.400 0.156 0.000 2.638 855 D HA 0.436 5.075 4.640 -0.002 0.000 0.245 855 D C 0.975 177.414 176.300 0.231 0.000 1.176 855 D CA 0.034 54.162 54.000 0.213 0.000 0.996 855 D CB 1.192 42.129 40.800 0.229 0.000 1.012 855 D HN 0.354 nan 8.370 nan 0.000 0.515 856 V N 2.231 122.254 119.914 0.181 0.000 2.233 856 V HA -0.300 3.819 4.120 -0.002 0.000 0.247 856 V C 1.913 178.163 176.094 0.259 0.000 1.050 856 V CA 1.726 64.090 62.300 0.107 0.000 1.010 856 V CB -0.955 30.782 31.823 -0.143 0.000 0.637 856 V HN 0.564 nan 8.190 nan 0.000 0.444 857 Y N 1.709 122.173 120.300 0.273 0.000 2.030 857 Y HA -0.344 4.205 4.550 -0.002 0.000 0.272 857 Y C 2.348 178.412 175.900 0.275 0.000 1.185 857 Y CA 2.184 60.500 58.100 0.360 0.000 1.120 857 Y CB -1.128 37.541 38.460 0.349 0.000 0.955 857 Y HN 0.213 nan 8.280 nan 0.000 0.495 858 G N -1.640 107.348 108.800 0.314 0.000 2.491 858 G HA2 -0.387 3.572 3.960 -0.002 0.000 0.218 858 G HA3 -0.387 3.572 3.960 -0.002 0.000 0.218 858 G C 1.635 176.606 174.900 0.119 0.000 1.180 858 G CA 1.098 46.308 45.100 0.183 0.000 0.774 858 G HN 0.601 nan 8.290 nan 0.000 0.562 859 Y N 0.867 121.213 120.300 0.078 0.000 2.333 859 Y HA -0.075 4.473 4.550 -0.002 0.000 0.290 859 Y C 2.782 178.698 175.900 0.026 0.000 1.144 859 Y CA 1.243 59.374 58.100 0.051 0.000 1.228 859 Y CB 0.120 38.609 38.460 0.048 0.000 0.985 859 Y HN 0.064 nan 8.280 nan 0.000 0.542 860 V N -1.570 118.405 119.914 0.101 0.000 2.346 860 V HA -0.251 3.868 4.120 -0.002 0.000 0.244 860 V C 2.221 178.318 176.094 0.004 0.000 1.037 860 V CA 1.544 63.891 62.300 0.079 0.000 1.029 860 V CB -0.742 31.197 31.823 0.193 0.000 0.663 860 V HN 0.246 nan 8.190 nan 0.000 0.454 861 V N 0.261 120.143 119.914 -0.053 0.000 2.332 861 V HA -0.317 3.801 4.120 -0.002 0.000 0.248 861 V C 2.416 178.485 176.094 -0.041 0.000 1.055 861 V CA 2.413 64.697 62.300 -0.027 0.000 1.038 861 V CB -0.775 30.989 31.823 -0.098 0.000 0.651 861 V HN 0.547 nan 8.190 nan 0.000 0.450 862 K N -0.277 120.048 120.400 -0.126 0.000 2.097 862 K HA -0.140 4.179 4.320 -0.002 0.000 0.206 862 K C 2.103 178.554 176.600 -0.249 0.000 1.049 862 K CA 1.372 57.535 56.287 -0.207 0.000 0.933 862 K CB -0.129 32.215 32.500 -0.261 0.000 0.717 862 K HN 0.406 nan 8.250 nan 0.000 0.442 863 L N -0.057 121.013 121.223 -0.256 0.000 2.023 863 L HA -0.085 4.254 4.340 -0.002 0.000 0.205 863 L C 2.458 179.308 176.870 -0.034 0.000 1.073 863 L CA 0.764 55.497 54.840 -0.178 0.000 0.745 863 L CB -0.279 41.695 42.059 -0.142 0.000 0.900 863 L HN 0.049 nan 8.230 nan 0.000 0.435 864 R N 0.257 120.787 120.500 0.050 0.000 2.316 864 R HA -0.147 4.192 4.340 -0.002 0.000 0.232 864 R C 2.099 178.557 176.300 0.264 0.000 1.137 864 R CA 1.160 57.380 56.100 0.200 0.000 1.012 864 R CB -0.395 30.072 30.300 0.278 0.000 0.859 864 R HN 0.207 nan 8.270 nan 0.000 0.474 865 R N -1.314 119.147 120.500 -0.066 0.000 2.246 865 R HA 0.059 4.397 4.340 -0.002 0.000 0.199 865 R C 1.512 177.622 176.300 -0.316 0.000 0.984 865 R CA 0.804 56.609 56.100 -0.491 0.000 1.015 865 R CB 0.275 30.148 30.300 -0.711 0.000 0.930 865 R HN 0.257 nan 8.270 nan 0.000 0.475 866 Q N -0.865 118.922 119.800 -0.021 0.000 2.373 866 Q HA 0.116 4.455 4.340 -0.002 0.000 0.210 866 Q C 0.053 176.160 176.000 0.179 0.000 0.913 866 Q CA 0.387 56.217 55.803 0.045 0.000 0.911 866 Q CB 0.828 29.544 28.738 -0.036 0.000 1.040 866 Q HN -0.071 nan 8.270 nan 0.000 0.521 867 R N 0.301 120.872 120.500 0.119 0.000 2.535 867 R HA 0.288 4.626 4.340 -0.002 0.000 0.274 867 R C -1.136 175.128 176.300 -0.059 0.000 1.090 867 R CA -0.642 55.392 56.100 -0.109 0.000 0.930 867 R CB 0.847 31.100 30.300 -0.079 0.000 1.223 867 R HN 0.278 nan 8.270 nan 0.000 0.441 868 C N 3.551 122.721 119.300 -0.216 0.000 2.703 868 C HA 0.571 5.029 4.460 -0.002 0.000 0.411 868 C C 0.924 175.924 174.990 0.016 0.000 1.290 868 C CA -0.645 58.349 59.018 -0.040 0.000 2.054 868 C CB -0.404 27.281 27.740 -0.092 0.000 2.732 868 C HN 1.114 nan 8.230 nan 0.000 0.650 872 Q N 0.044 119.964 119.800 0.199 0.000 2.541 872 Q HA 0.141 4.480 4.340 -0.002 0.000 0.215 872 Q C 0.145 176.345 176.000 0.332 0.000 0.977 872 Q CA 0.982 56.946 55.803 0.267 0.000 0.934 872 Q CB 0.609 29.414 28.738 0.113 0.000 0.988 872 Q HN 0.482 nan 8.270 nan 0.000 0.521 873 V N 1.185 121.153 119.914 0.090 0.000 2.760 873 V HA 0.077 4.196 4.120 -0.002 0.000 0.309 873 V C -0.064 175.656 176.094 -0.624 0.000 1.077 873 V CA -0.860 61.386 62.300 -0.090 0.000 0.910 873 V CB 2.168 34.019 31.823 0.046 0.000 1.008 873 V HN 0.103 nan 8.190 nan 0.000 0.424 874 E N 2.751 122.569 120.200 -0.636 0.000 2.130 874 E HA -0.209 4.140 4.350 -0.002 0.000 0.196 874 E C 2.053 178.493 176.600 -0.266 0.000 0.998 874 E CA 1.724 57.770 56.400 -0.589 0.000 0.806 874 E CB -0.290 29.363 29.700 -0.079 0.000 0.738 874 E HN 0.810 nan 8.360 nan 0.000 0.459 875 A N 0.891 123.628 122.820 -0.138 0.000 1.898 875 A HA -0.236 4.083 4.320 -0.002 0.000 0.216 875 A C 2.076 179.624 177.584 -0.060 0.000 1.181 875 A CA 1.549 53.550 52.037 -0.061 0.000 0.620 875 A CB -0.430 18.569 19.000 -0.002 0.000 0.819 875 A HN 0.268 nan 8.150 nan 0.000 0.442 876 Q N -2.146 117.621 119.800 -0.055 0.000 2.172 876 Q HA -0.142 4.197 4.340 -0.002 0.000 0.200 876 Q C 1.942 177.909 176.000 -0.055 0.000 0.964 876 Q CA 1.446 57.246 55.803 -0.004 0.000 0.855 876 Q CB -0.338 28.446 28.738 0.077 0.000 0.918 876 Q HN 0.815 nan 8.270 nan 0.000 0.444 877 Y N 1.597 121.739 120.300 -0.263 0.000 2.089 877 Y HA -0.239 4.310 4.550 -0.002 0.000 0.282 877 Y C 1.979 177.827 175.900 -0.087 0.000 1.139 877 Y CA 1.659 59.646 58.100 -0.188 0.000 1.123 877 Y CB -0.111 38.127 38.460 -0.369 0.000 0.980 877 Y HN -0.020 nan 8.280 nan 0.000 0.493 878 I N -0.059 120.488 120.570 -0.038 0.000 2.423 878 I HA -0.312 3.857 4.170 -0.002 0.000 0.254 878 I C 2.452 178.510 176.117 -0.097 0.000 1.151 878 I CA 1.087 62.228 61.300 -0.265 0.000 1.421 878 I CB -0.428 37.396 38.000 -0.294 0.000 1.079 878 I HN 0.372 nan 8.210 nan 0.000 0.431 879 L N 0.958 122.129 121.223 -0.087 0.000 1.994 879 L HA -0.223 4.116 4.340 -0.002 0.000 0.208 879 L C 2.602 179.392 176.870 -0.133 0.000 1.071 879 L CA 1.691 56.470 54.840 -0.101 0.000 0.745 879 L CB -0.169 41.823 42.059 -0.112 0.000 0.892 879 L HN 0.119 nan 8.230 nan 0.000 0.431 880 I N -0.677 119.785 120.570 -0.179 0.000 2.185 880 I HA -0.420 3.749 4.170 -0.002 0.000 0.246 880 I C 2.516 178.453 176.117 -0.299 0.000 1.088 880 I CA 1.398 62.535 61.300 -0.272 0.000 1.347 880 I CB -0.780 36.987 38.000 -0.388 0.000 1.041 880 I HN 0.433 nan 8.210 nan 0.000 0.415 881 H N 0.667 119.631 119.070 -0.176 0.000 2.299 881 H HA -0.152 4.403 4.556 -0.002 0.000 0.302 881 H C 2.331 177.545 175.328 -0.189 0.000 1.078 881 H CA 1.536 57.533 56.048 -0.086 0.000 1.323 881 H CB -0.330 29.487 29.762 0.092 0.000 1.381 881 H HN 0.486 nan 8.280 nan 0.000 0.498 882 Q N 0.419 120.130 119.800 -0.147 0.000 2.096 882 Q HA -0.129 4.210 4.340 -0.002 0.000 0.204 882 Q C 2.583 178.481 176.000 -0.170 0.000 0.982 882 Q CA 1.301 56.923 55.803 -0.302 0.000 0.850 882 Q CB -0.140 28.485 28.738 -0.189 0.000 0.901 882 Q HN 0.406 nan 8.270 nan 0.000 0.422 883 A N 0.866 123.608 122.820 -0.129 0.000 1.892 883 A HA -0.201 4.117 4.320 -0.002 0.000 0.218 883 A C 2.061 179.607 177.584 -0.064 0.000 1.188 883 A CA 1.432 53.413 52.037 -0.094 0.000 0.631 883 A CB -0.714 18.200 19.000 -0.144 0.000 0.822 883 A HN 0.308 nan 8.150 nan 0.000 0.447 884 L N -0.705 120.455 121.223 -0.105 0.000 2.072 884 L HA -0.105 4.234 4.340 -0.002 0.000 0.205 884 L C 2.452 179.298 176.870 -0.040 0.000 1.079 884 L CA 0.806 55.603 54.840 -0.072 0.000 0.752 884 L CB -0.547 41.449 42.059 -0.105 0.000 0.906 884 L HN 0.226 nan 8.230 nan 0.000 0.436 885 V N -0.172 119.681 119.914 -0.101 0.000 2.490 885 V HA -0.248 3.871 4.120 -0.002 0.000 0.250 885 V C 2.286 178.292 176.094 -0.146 0.000 1.061 885 V CA 1.739 63.953 62.300 -0.143 0.000 1.064 885 V CB -0.496 31.130 31.823 -0.328 0.000 0.670 885 V HN 0.468 nan 8.190 nan 0.000 0.461 886 E N -1.258 118.895 120.200 -0.079 0.000 2.190 886 E HA -0.128 4.221 4.350 -0.002 0.000 0.191 886 E C 2.045 178.678 176.600 0.054 0.000 0.978 886 E CA 0.852 57.254 56.400 0.002 0.000 0.839 886 E CB -0.082 29.718 29.700 0.167 0.000 0.787 886 E HN 0.734 nan 8.360 nan 0.000 0.473 887 Y N 2.162 122.443 120.300 -0.031 0.000 2.263 887 Y HA -0.148 4.401 4.550 -0.002 0.000 0.292 887 Y C 1.960 177.813 175.900 -0.077 0.000 1.130 887 Y CA 1.521 59.609 58.100 -0.020 0.000 1.179 887 Y CB -0.134 38.299 38.460 -0.045 0.000 0.998 887 Y HN -0.009 nan 8.280 nan 0.000 0.532 888 N N -0.476 118.237 118.700 0.022 0.000 2.006 888 N HA -0.316 4.423 4.740 -0.002 0.000 0.196 888 N C 1.956 177.328 175.510 -0.230 0.000 1.057 888 N CA 1.392 54.400 53.050 -0.071 0.000 0.853 888 N CB -0.251 38.205 38.487 -0.052 0.000 1.051 888 N HN 0.324 nan 8.380 nan 0.000 0.423 889 Q N 0.482 120.082 119.800 -0.332 0.000 1.978 889 Q HA -0.183 4.156 4.340 -0.002 0.000 0.211 889 Q C 1.575 177.197 176.000 -0.630 0.000 1.013 889 Q CA 2.293 57.744 55.803 -0.586 0.000 0.869 889 Q CB -0.669 27.499 28.738 -0.950 0.000 0.953 889 Q HN 0.560 nan 8.270 nan 0.000 0.415 890 F N -1.061 118.811 119.950 -0.131 0.000 2.714 890 F HA 0.402 4.928 4.527 -0.002 0.000 0.294 890 F C 1.619 177.172 175.800 -0.411 0.000 1.120 890 F CA 0.167 58.021 58.000 -0.244 0.000 1.398 890 F CB -0.150 38.766 39.000 -0.140 0.000 1.120 890 F HN 0.362 nan 8.300 nan 0.000 0.589 891 G N 1.107 109.691 108.800 -0.360 0.000 2.598 891 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.244 891 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.244 891 G C -0.455 174.118 174.900 -0.545 0.000 1.302 891 G CA -0.320 44.372 45.100 -0.680 0.000 0.903 891 G HN 0.346 nan 8.290 nan 0.000 0.575 892 E N 0.910 120.860 120.200 -0.417 0.000 2.092 892 E HA 0.541 4.889 4.350 -0.002 0.000 0.271 892 E C -0.045 176.514 176.600 -0.068 0.000 0.919 892 E CA 0.055 56.387 56.400 -0.113 0.000 0.760 892 E CB 0.393 30.125 29.700 0.052 0.000 1.106 892 E HN 0.683 nan 8.360 nan 0.000 0.408 893 T N 2.131 116.659 114.554 -0.044 0.000 3.053 893 T HA 0.374 4.723 4.350 -0.002 0.000 0.363 893 T C -0.024 174.712 174.700 0.060 0.000 1.239 893 T CA -0.762 61.347 62.100 0.015 0.000 1.071 893 T CB 0.527 69.366 68.868 -0.049 0.000 1.089 893 T HN 0.538 nan 8.240 nan 0.000 0.527 894 E N 2.357 122.550 120.200 -0.012 0.000 3.152 894 E HA 0.170 4.519 4.350 -0.002 0.000 0.320 894 E C -0.191 176.329 176.600 -0.133 0.000 1.108 894 E CA -0.257 56.126 56.400 -0.028 0.000 1.032 894 E CB 1.076 30.802 29.700 0.043 0.000 1.351 894 E HN 0.556 nan 8.360 nan 0.000 0.391 895 V N 1.530 121.292 119.914 -0.252 0.000 3.230 895 V HA 0.021 4.140 4.120 -0.002 0.000 0.302 895 V C -0.230 175.768 176.094 -0.161 0.000 1.158 895 V CA 0.796 62.904 62.300 -0.320 0.000 1.279 895 V CB 0.634 32.278 31.823 -0.299 0.000 0.983 895 V HN 0.506 nan 8.190 nan 0.000 0.506 896 N N 4.292 122.913 118.700 -0.132 0.000 2.405 896 N HA 0.358 5.097 4.740 -0.002 0.000 0.299 896 N C 0.746 176.195 175.510 -0.101 0.000 1.075 896 N CA -0.752 52.240 53.050 -0.097 0.000 0.884 896 N CB 1.684 40.132 38.487 -0.064 0.000 1.194 896 N HN 0.664 nan 8.380 nan 0.000 0.491 897 L N 1.151 122.290 121.223 -0.140 0.000 2.197 897 L HA -0.276 4.063 4.340 -0.002 0.000 0.215 897 L C 2.534 179.334 176.870 -0.116 0.000 1.095 897 L CA 1.229 55.961 54.840 -0.180 0.000 0.764 897 L CB -0.599 41.305 42.059 -0.258 0.000 0.897 897 L HN 0.669 nan 8.230 nan 0.000 0.436 898 S N -0.244 115.410 115.700 -0.076 0.000 2.343 898 S HA -0.192 4.277 4.470 -0.002 0.000 0.219 898 S C 1.202 175.781 174.600 -0.035 0.000 1.033 898 S CA 0.876 59.047 58.200 -0.048 0.000 1.014 898 S CB -0.314 62.871 63.200 -0.026 0.000 0.915 898 S HN 0.492 nan 8.310 nan 0.000 0.435 899 E N 0.923 121.113 120.200 -0.017 0.000 2.462 899 E HA 0.311 4.660 4.350 -0.002 0.000 0.255 899 E C 0.431 177.076 176.600 0.075 0.000 1.311 899 E CA -0.240 56.177 56.400 0.029 0.000 1.629 899 E CB 0.595 30.313 29.700 0.031 0.000 1.510 899 E HN 0.362 nan 8.360 nan 0.000 0.438 900 L N -0.427 120.837 121.223 0.069 0.000 2.130 900 L HA -0.002 4.337 4.340 -0.002 0.000 0.200 900 L C 1.907 178.970 176.870 0.321 0.000 1.075 900 L CA 1.824 56.767 54.840 0.170 0.000 0.768 900 L CB -0.263 41.858 42.059 0.102 0.000 0.933 900 L HN 0.357 nan 8.230 nan 0.000 0.451 901 H N -0.627 118.507 119.070 0.108 0.000 2.422 901 H HA -0.099 4.455 4.556 -0.002 0.000 0.298 901 H C -0.681 174.726 175.328 0.131 0.000 1.098 901 H CA 1.217 57.327 56.048 0.102 0.000 1.315 901 H CB -0.888 28.907 29.762 0.056 0.000 1.382 901 H HN 0.409 nan 8.280 nan 0.000 0.523 902 P HA -0.184 nan 4.420 nan 0.000 0.212 902 P C 1.273 178.714 177.300 0.236 0.000 1.180 902 P CA 1.029 64.259 63.100 0.217 0.000 0.902 902 P CB -0.273 31.529 31.700 0.170 0.000 0.778 903 Y N 0.624 120.989 120.300 0.108 0.000 2.030 903 Y HA -0.272 4.277 4.550 -0.002 0.000 0.272 903 Y C 2.183 178.124 175.900 0.068 0.000 1.185 903 Y CA 1.616 59.766 58.100 0.083 0.000 1.120 903 Y CB -1.297 37.218 38.460 0.092 0.000 0.955 903 Y HN -0.220 nan 8.280 nan 0.000 0.495 904 L N -0.075 121.233 121.223 0.141 0.000 2.042 904 L HA -0.208 4.131 4.340 -0.002 0.000 0.210 904 L C 2.434 179.276 176.870 -0.047 0.000 1.076 904 L CA 2.565 57.388 54.840 -0.028 0.000 0.749 904 L CB -1.358 40.787 42.059 0.143 0.000 0.893 904 L HN 0.500 nan 8.230 nan 0.000 0.432 905 H N -0.095 118.952 119.070 -0.037 0.000 2.353 905 H HA -0.078 4.477 4.556 -0.002 0.000 0.298 905 H C 0.854 176.144 175.328 -0.063 0.000 1.103 905 H CA 1.494 57.517 56.048 -0.042 0.000 1.293 905 H CB -0.134 29.624 29.762 -0.007 0.000 1.372 905 H HN 0.442 nan 8.280 nan 0.000 0.501 909 K N 2.660 122.954 120.400 -0.176 0.000 2.174 909 K HA 0.309 4.628 4.320 -0.002 0.000 0.275 909 K C -0.596 175.937 176.600 -0.112 0.000 1.015 909 K CA -0.370 55.825 56.287 -0.152 0.000 0.933 909 K CB 0.724 33.092 32.500 -0.220 0.000 1.025 909 K HN 0.052 nan 8.250 nan 0.000 0.463 910 R N 2.461 122.911 120.500 -0.083 0.000 2.487 910 R HA 0.295 4.633 4.340 -0.002 0.000 0.288 910 R C -0.801 175.467 176.300 -0.054 0.000 1.394 910 R CA -0.713 55.347 56.100 -0.067 0.000 1.155 910 R CB 0.874 31.136 30.300 -0.064 0.000 1.156 910 R HN 0.545 nan 8.270 nan 0.000 0.553 911 D N 2.692 123.062 120.400 -0.050 0.000 2.133 911 D HA -0.082 4.557 4.640 -0.002 0.000 0.195 911 D C -1.054 175.228 176.300 -0.030 0.000 0.997 911 D CA 1.485 55.462 54.000 -0.037 0.000 0.840 911 D CB -0.377 40.403 40.800 -0.033 0.000 0.947 911 D HN 0.456 nan 8.370 nan 0.000 0.452 912 P HA 0.233 nan 4.420 nan 0.000 0.227 912 P C -2.359 174.924 177.300 -0.029 0.000 1.815 912 P CA -1.379 61.706 63.100 -0.025 0.000 1.134 912 P CB 1.293 32.978 31.700 -0.024 0.000 1.795 913 P HA -0.174 nan 4.420 nan 0.000 0.220 913 P C 1.182 178.464 177.300 -0.030 0.000 1.144 913 P CA 1.478 64.559 63.100 -0.030 0.000 0.808 913 P CB -0.257 31.428 31.700 -0.023 0.000 0.763 914 S N -1.501 114.183 115.700 -0.025 0.000 2.603 914 S HA -0.005 4.463 4.470 -0.002 0.000 0.229 914 S C 0.706 175.289 174.600 -0.029 0.000 0.972 914 S CA 0.653 58.838 58.200 -0.024 0.000 0.935 914 S CB -0.380 62.809 63.200 -0.019 0.000 0.769 914 S HN 0.206 nan 8.310 nan 0.000 0.536 915 E N 0.568 120.747 120.200 -0.035 0.000 2.392 915 E HA 0.462 4.811 4.350 -0.002 0.000 0.269 915 E C -2.914 173.653 176.600 -0.056 0.000 0.924 915 E CA -2.364 54.012 56.400 -0.041 0.000 0.784 915 E CB 1.136 30.814 29.700 -0.037 0.000 1.292 915 E HN -0.037 nan 8.360 nan 0.000 0.447 916 P HA 0.131 nan 4.420 nan 0.000 0.279 916 P C -0.523 176.726 177.300 -0.085 0.000 1.276 916 P CA -0.429 62.614 63.100 -0.096 0.000 0.801 916 P CB 0.555 32.193 31.700 -0.104 0.000 1.127 917 S N -0.493 115.145 115.700 -0.103 0.000 2.610 917 S HA 0.316 4.785 4.470 -0.002 0.000 0.273 917 S C -1.883 172.686 174.600 -0.051 0.000 1.274 917 S CA -1.047 57.108 58.200 -0.075 0.000 1.023 917 S CB 0.349 63.512 63.200 -0.062 0.000 0.962 917 S HN 0.197 nan 8.310 nan 0.000 0.523 918 P HA -0.157 nan 4.420 nan 0.000 0.216 918 P C 1.587 178.883 177.300 -0.006 0.000 1.154 918 P CA 0.893 63.962 63.100 -0.051 0.000 0.865 918 P CB 0.012 31.652 31.700 -0.100 0.000 0.789 919 L N -0.323 120.901 121.223 0.002 0.000 2.012 919 L HA -0.216 4.123 4.340 -0.002 0.000 0.210 919 L C 2.285 179.353 176.870 0.330 0.000 1.073 919 L CA 1.762 56.674 54.840 0.120 0.000 0.748 919 L CB -0.564 41.544 42.059 0.082 0.000 0.891 919 L HN -0.006 nan 8.230 nan 0.000 0.431 920 E N -0.341 120.002 120.200 0.239 0.000 2.118 920 E HA -0.264 4.084 4.350 -0.002 0.000 0.195 920 E C 2.129 178.823 176.600 0.156 0.000 0.992 920 E CA 1.072 57.550 56.400 0.131 0.000 0.804 920 E CB -0.174 29.377 29.700 -0.249 0.000 0.741 920 E HN 0.655 nan 8.360 nan 0.000 0.458 921 A N 1.470 124.341 122.820 0.084 0.000 1.883 921 A HA -0.275 4.044 4.320 -0.002 0.000 0.217 921 A C 2.043 179.685 177.584 0.096 0.000 1.186 921 A CA 1.706 53.776 52.037 0.055 0.000 0.624 921 A CB -0.500 18.511 19.000 0.017 0.000 0.822 921 A HN 0.231 nan 8.150 nan 0.000 0.444 922 E N -1.326 118.962 120.200 0.146 0.000 2.038 922 E HA -0.228 4.121 4.350 -0.002 0.000 0.195 922 E C 1.782 178.538 176.600 0.261 0.000 1.000 922 E CA 1.537 58.062 56.400 0.207 0.000 0.803 922 E CB -0.296 29.589 29.700 0.310 0.000 0.750 922 E HN 0.588 nan 8.360 nan 0.000 0.448 923 F N 1.505 121.429 119.950 -0.042 0.000 2.202 923 F HA -0.222 4.304 4.527 -0.002 0.000 0.301 923 F C 2.167 177.930 175.800 -0.062 0.000 1.082 923 F CA 1.353 59.157 58.000 -0.327 0.000 1.313 923 F CB -0.086 38.814 39.000 -0.166 0.000 1.024 923 F HN 0.046 nan 8.300 nan 0.000 0.495 924 Q N 0.220 119.937 119.800 -0.137 0.000 2.230 924 Q HA -0.063 4.275 4.340 -0.002 0.000 0.202 924 Q C 2.378 178.322 176.000 -0.094 0.000 0.963 924 Q CA 1.024 56.700 55.803 -0.212 0.000 0.866 924 Q CB -0.384 28.318 28.738 -0.060 0.000 0.931 924 Q HN 0.472 nan 8.270 nan 0.000 0.452 925 R N -0.177 120.365 120.500 0.070 0.000 2.189 925 R HA 0.071 4.410 4.340 -0.002 0.000 0.218 925 R C 0.579 177.092 176.300 0.355 0.000 1.074 925 R CA -0.050 56.182 56.100 0.219 0.000 0.991 925 R CB -0.068 30.387 30.300 0.258 0.000 0.883 925 R HN 0.151 nan 8.270 nan 0.000 0.457 926 L N 2.974 124.308 121.223 0.186 0.000 2.562 926 L HA 0.048 4.387 4.340 -0.002 0.000 0.271 926 L C -1.922 174.893 176.870 -0.092 0.000 1.167 926 L CA -1.548 53.225 54.840 -0.111 0.000 0.917 926 L CB 0.527 42.319 42.059 -0.445 0.000 1.187 926 L HN -0.096 nan 8.230 nan 0.000 0.482 927 P HA -0.003 nan 4.420 nan 0.000 0.273 927 P C -0.943 176.414 177.300 0.095 0.000 1.252 927 P CA -0.268 62.861 63.100 0.050 0.000 0.809 927 P CB 0.482 32.180 31.700 -0.004 0.000 1.017 928 S N -0.861 114.924 115.700 0.141 0.000 2.417 928 S HA 0.209 4.678 4.470 -0.002 0.000 0.189 928 S C -0.618 174.142 174.600 0.267 0.000 1.005 928 S CA -0.374 57.962 58.200 0.227 0.000 1.116 928 S CB -0.846 62.408 63.200 0.090 0.000 1.343 928 S HN 0.191 nan 8.310 nan 0.000 0.406 929 Y N 2.290 122.609 120.300 0.032 0.000 2.810 929 Y HA -0.040 4.509 4.550 -0.002 0.000 0.356 929 Y C 1.974 178.020 175.900 0.244 0.000 1.199 929 Y CA 0.344 58.525 58.100 0.136 0.000 1.280 929 Y CB -1.132 37.266 38.460 -0.104 0.000 1.235 929 Y HN 0.671 nan 8.280 nan 0.000 0.474 930 R N 0.433 121.109 120.500 0.293 0.000 2.327 930 R HA -0.330 4.009 4.340 -0.002 0.000 0.239 930 R C 1.196 177.671 176.300 0.291 0.000 1.085 930 R CA 2.597 58.842 56.100 0.241 0.000 0.890 930 R CB -0.688 29.704 30.300 0.153 0.000 0.983 930 R HN 0.251 nan 8.270 nan 0.000 0.419 931 S N -1.587 114.277 115.700 0.274 0.000 2.754 931 S HA 0.052 4.521 4.470 -0.002 0.000 0.247 931 S C -0.020 174.750 174.600 0.283 0.000 1.031 931 S CA -0.127 58.235 58.200 0.270 0.000 1.014 931 S CB 0.025 63.319 63.200 0.156 0.000 0.918 931 S HN 0.534 nan 8.310 nan 0.000 0.519 932 W N 3.204 124.576 121.300 0.121 0.000 2.198 932 W HA -0.274 4.385 4.660 -0.002 0.000 0.320 932 W C 0.804 177.262 176.519 -0.101 0.000 1.315 932 W CA 2.130 59.480 57.345 0.008 0.000 1.355 932 W CB 0.075 29.561 29.460 0.043 0.000 1.109 932 W HN 0.296 nan 8.180 nan 0.000 0.514 933 R N -1.858 118.587 120.500 -0.092 0.000 2.762 933 R HA 0.203 4.542 4.340 -0.002 0.000 0.271 933 R C -0.492 175.839 176.300 0.052 0.000 1.038 933 R CA -0.067 55.870 56.100 -0.270 0.000 0.906 933 R CB 0.364 30.269 30.300 -0.657 0.000 1.259 933 R HN -0.176 nan 8.270 nan 0.000 0.457 934 T N 0.430 114.984 114.554 0.000 0.000 2.902 934 T HA 0.120 4.468 4.350 -0.002 0.000 0.301 934 T C -0.172 174.526 174.700 -0.003 0.000 1.012 934 T CA -0.083 61.983 62.100 -0.057 0.000 1.151 934 T CB 0.443 69.366 68.868 0.092 0.000 0.946 934 T HN 0.546 nan 8.240 nan 0.000 0.542 935 Q N 1.779 121.405 119.800 -0.291 0.000 3.557 935 Q HA 0.250 4.588 4.340 -0.002 0.000 0.264 935 Q C -0.225 175.631 176.000 -0.240 0.000 0.850 935 Q CA -0.938 54.800 55.803 -0.108 0.000 0.833 935 Q CB 0.283 29.037 28.738 0.026 0.000 1.505 935 Q HN 0.769 nan 8.270 nan 0.000 0.402 936 H N 0.912 120.022 119.070 0.067 0.000 2.370 936 H HA 0.061 4.616 4.556 -0.002 0.000 0.304 936 H C 1.944 177.253 175.328 -0.031 0.000 1.055 936 H CA 0.607 56.666 56.048 0.018 0.000 1.373 936 H CB 0.517 30.292 29.762 0.022 0.000 1.423 936 H HN 0.346 nan 8.280 nan 0.000 0.533 937 I N 1.175 121.803 120.570 0.097 0.000 2.103 937 I HA -0.238 3.930 4.170 -0.002 0.000 0.241 937 I C 2.637 178.601 176.117 -0.255 0.000 1.036 937 I CA 1.804 63.099 61.300 -0.009 0.000 1.300 937 I CB -1.585 36.469 38.000 0.090 0.000 1.010 937 I HN 0.286 nan 8.210 nan 0.000 0.406 938 G N 0.905 109.577 108.800 -0.214 0.000 2.498 938 G HA2 -0.197 3.761 3.960 -0.002 0.000 0.219 938 G HA3 -0.197 3.761 3.960 -0.002 0.000 0.219 938 G C 1.131 175.846 174.900 -0.308 0.000 1.119 938 G CA 0.320 45.176 45.100 -0.407 0.000 0.766 938 G HN 0.405 nan 8.290 nan 0.000 0.552 939 N N 0.570 119.170 118.700 -0.167 0.000 2.380 939 N HA 0.131 4.870 4.740 -0.002 0.000 0.255 939 N C -0.065 175.396 175.510 -0.081 0.000 1.158 939 N CA 0.017 53.011 53.050 -0.094 0.000 0.878 939 N CB 0.605 39.077 38.487 -0.024 0.000 1.138 939 N HN 0.209 nan 8.380 nan 0.000 0.509 940 Q N 0.457 120.174 119.800 -0.139 0.000 2.256 940 Q HA 0.108 4.447 4.340 -0.002 0.000 0.232 940 Q C 1.220 177.178 176.000 -0.070 0.000 0.965 940 Q CA -0.306 55.444 55.803 -0.089 0.000 0.908 940 Q CB 1.210 29.889 28.738 -0.099 0.000 1.209 940 Q HN 0.051 nan 8.270 nan 0.000 0.489 941 E N 1.665 121.842 120.200 -0.038 0.000 2.048 941 E HA -0.247 4.102 4.350 -0.002 0.000 0.202 941 E C 1.465 178.053 176.600 -0.021 0.000 1.021 941 E CA 2.075 58.461 56.400 -0.023 0.000 0.825 941 E CB 0.151 29.844 29.700 -0.012 0.000 0.756 941 E HN 0.672 nan 8.360 nan 0.000 0.454 942 E N 0.202 120.391 120.200 -0.019 0.000 2.150 942 E HA -0.175 4.174 4.350 -0.002 0.000 0.193 942 E C 1.482 178.080 176.600 -0.003 0.000 0.985 942 E CA 1.384 57.782 56.400 -0.003 0.000 0.814 942 E CB -0.830 28.876 29.700 0.010 0.000 0.752 942 E HN 0.461 nan 8.360 nan 0.000 0.466 943 N N 0.871 119.540 118.700 -0.051 0.000 2.396 943 N HA -0.024 4.715 4.740 -0.002 0.000 0.180 943 N C 1.679 177.161 175.510 -0.046 0.000 1.028 943 N CA 0.355 53.353 53.050 -0.086 0.000 0.893 943 N CB 0.018 38.263 38.487 -0.403 0.000 0.967 943 N HN 0.120 nan 8.380 nan 0.000 0.440 944 K N 0.931 121.302 120.400 -0.048 0.000 2.360 944 K HA -0.038 4.281 4.320 -0.002 0.000 0.201 944 K C 1.194 177.800 176.600 0.010 0.000 1.046 944 K CA 0.909 57.184 56.287 -0.020 0.000 0.945 944 K CB 0.006 32.494 32.500 -0.020 0.000 0.750 944 K HN 0.242 nan 8.250 nan 0.000 0.464 945 S N -0.182 115.529 115.700 0.019 0.000 2.574 945 S HA 0.207 4.675 4.470 -0.002 0.000 0.242 945 S C 0.643 175.270 174.600 0.045 0.000 0.982 945 S CA -0.462 57.754 58.200 0.025 0.000 0.977 945 S CB 0.283 63.495 63.200 0.019 0.000 0.814 945 S HN 0.123 nan 8.310 nan 0.000 0.464 946 K N 1.093 121.542 120.400 0.080 0.000 2.469 946 K HA 0.262 4.580 4.320 -0.002 0.000 0.204 946 K C -0.769 175.902 176.600 0.118 0.000 1.047 946 K CA -0.109 56.249 56.287 0.118 0.000 1.072 946 K CB 0.422 33.064 32.500 0.237 0.000 0.863 946 K HN 0.387 nan 8.250 nan 0.000 0.530 947 N N 1.226 119.975 118.700 0.082 0.000 2.442 947 N HA 0.140 4.879 4.740 -0.002 0.000 0.274 947 N C 0.309 175.825 175.510 0.011 0.000 1.002 947 N CA -0.398 52.686 53.050 0.057 0.000 0.910 947 N CB 1.694 40.225 38.487 0.072 0.000 1.244 947 N HN -0.065 nan 8.380 nan 0.000 0.492 948 R N 2.341 122.831 120.500 -0.016 0.000 2.249 948 R HA -0.053 4.286 4.340 -0.002 0.000 0.230 948 R C -0.358 175.930 176.300 -0.019 0.000 1.121 948 R CA 1.420 57.502 56.100 -0.029 0.000 0.997 948 R CB -0.172 30.097 30.300 -0.052 0.000 0.867 948 R HN 0.636 nan 8.270 nan 0.000 0.465 949 N N -1.065 117.629 118.700 -0.010 0.000 2.549 949 N HA 0.029 4.767 4.740 -0.002 0.000 0.290 949 N C -0.426 175.086 175.510 0.002 0.000 1.122 949 N CA -0.009 53.037 53.050 -0.007 0.000 0.885 949 N CB 1.541 40.020 38.487 -0.013 0.000 1.455 949 N HN 0.040 nan 8.380 nan 0.000 0.521 950 S N 2.968 118.671 115.700 0.004 0.000 2.400 950 S HA -0.149 4.320 4.470 -0.002 0.000 0.232 950 S C 0.474 175.076 174.600 0.002 0.000 1.025 950 S CA 1.390 59.594 58.200 0.006 0.000 0.993 950 S CB -0.387 62.815 63.200 0.004 0.000 0.808 950 S HN 0.793 nan 8.310 nan 0.000 0.478 951 N N 0.210 118.911 118.700 0.001 0.000 2.839 951 N HA 0.382 5.120 4.740 -0.002 0.000 0.314 951 N C -0.861 174.643 175.510 -0.010 0.000 1.449 951 N CA -0.418 52.632 53.050 0.000 0.000 1.050 951 N CB 1.383 39.877 38.487 0.011 0.000 1.364 951 N HN 0.124 nan 8.380 nan 0.000 0.512 952 V N 0.896 120.798 119.914 -0.021 0.000 3.829 952 V HA 0.175 4.294 4.120 -0.002 0.000 0.578 952 V C -0.300 175.767 176.094 -0.045 0.000 1.802 952 V CA -0.438 61.839 62.300 -0.038 0.000 2.505 952 V CB -0.270 31.539 31.823 -0.024 0.000 1.157 952 V HN 0.440 nan 8.190 nan 0.000 0.649 953 I N 4.105 124.640 120.570 -0.059 0.000 2.440 953 I HA 0.372 4.541 4.170 -0.002 0.000 0.294 953 I C -1.806 174.239 176.117 -0.118 0.000 0.995 953 I CA -1.933 59.352 61.300 -0.025 0.000 1.306 953 I CB 1.970 39.970 38.000 -0.000 0.000 1.407 953 I HN 0.152 nan 8.210 nan 0.000 0.501 954 P HA 0.003 nan 4.420 nan 0.000 0.271 954 P C -1.180 176.089 177.300 -0.053 0.000 1.218 954 P CA 0.006 63.062 63.100 -0.073 0.000 0.780 954 P CB 0.330 32.043 31.700 0.021 0.000 0.901 955 Y N 1.046 121.413 120.300 0.112 0.000 2.497 955 Y HA -0.041 4.507 4.550 -0.002 0.000 0.334 955 Y C 2.016 177.994 175.900 0.131 0.000 1.199 955 Y CA 0.551 58.765 58.100 0.190 0.000 1.425 955 Y CB -0.273 38.456 38.460 0.448 0.000 1.291 955 Y HN 0.400 nan 8.280 nan 0.000 0.562 956 D N 1.518 122.103 120.400 0.308 0.000 2.190 956 D HA -0.290 4.349 4.640 -0.002 0.000 0.200 956 D C 1.788 178.213 176.300 0.208 0.000 0.992 956 D CA 1.686 55.815 54.000 0.215 0.000 0.854 956 D CB -0.354 40.567 40.800 0.202 0.000 0.936 956 D HN 0.828 nan 8.370 nan 0.000 0.462 957 Y N 1.729 122.136 120.300 0.179 0.000 2.639 957 Y HA -0.090 4.459 4.550 -0.002 0.000 0.297 957 Y C 0.839 176.803 175.900 0.106 0.000 1.151 957 Y CA 1.315 59.495 58.100 0.134 0.000 1.335 957 Y CB -0.533 38.019 38.460 0.154 0.000 0.994 957 Y HN 0.145 nan 8.280 nan 0.000 0.548 958 N N -0.757 117.731 118.700 -0.353 0.000 1.938 958 N HA 0.047 4.785 4.740 -0.002 0.000 0.225 958 N C -0.474 174.952 175.510 -0.141 0.000 1.400 958 N CA -0.668 52.135 53.050 -0.412 0.000 0.772 958 N CB -0.081 38.021 38.487 -0.641 0.000 1.124 958 N HN 0.224 nan 8.380 nan 0.000 0.513 959 R N 1.245 121.727 120.500 -0.030 0.000 2.638 959 R HA 0.143 4.482 4.340 -0.002 0.000 0.268 959 R C -0.344 176.005 176.300 0.082 0.000 1.006 959 R CA -0.290 55.845 56.100 0.059 0.000 1.088 959 R CB 0.402 30.771 30.300 0.115 0.000 0.950 959 R HN -0.109 nan 8.270 nan 0.000 0.419 960 V N 5.139 125.158 119.914 0.174 0.000 2.397 960 V HA 0.129 4.248 4.120 -0.002 0.000 0.262 960 V C -1.761 174.407 176.094 0.123 0.000 1.047 960 V CA -1.516 60.967 62.300 0.305 0.000 1.003 960 V CB 0.290 32.245 31.823 0.220 0.000 1.037 960 V HN 0.812 nan 8.190 nan 0.000 0.480 961 P HA 0.105 nan 4.420 nan 0.000 0.268 961 P C -0.023 177.317 177.300 0.067 0.000 1.208 961 P CA -0.091 63.050 63.100 0.068 0.000 0.777 961 P CB 0.604 32.330 31.700 0.043 0.000 0.875 962 L N 2.104 123.362 121.223 0.057 0.000 3.100 962 L HA 0.204 4.543 4.340 -0.002 0.000 0.259 962 L C 0.474 177.380 176.870 0.059 0.000 1.316 962 L CA -0.460 54.408 54.840 0.048 0.000 0.992 962 L CB -0.407 41.673 42.059 0.035 0.000 1.390 962 L HN 0.315 nan 8.230 nan 0.000 0.550 991 K N 1.403 121.857 120.400 0.089 0.000 2.372 991 K HA 0.563 4.882 4.320 -0.002 0.000 0.251 991 K C -1.829 174.868 176.600 0.160 0.000 1.055 991 K CA -0.769 55.586 56.287 0.114 0.000 0.879 991 K CB 1.456 34.011 32.500 0.092 0.000 1.384 991 K HN 0.624 nan 8.250 nan 0.000 0.465 992 Y N 1.276 121.598 120.300 0.037 0.000 2.361 992 Y HA 0.597 5.146 4.550 -0.002 0.000 0.332 992 Y C -1.145 174.773 175.900 0.031 0.000 1.101 992 Y CA -0.764 57.357 58.100 0.034 0.000 1.137 992 Y CB 0.991 39.469 38.460 0.030 0.000 1.207 992 Y HN 0.449 nan 8.280 nan 0.000 0.463 993 I N 5.874 125.907 120.570 -0.895 0.000 2.685 993 I HA 0.223 4.392 4.170 -0.002 0.000 0.289 993 I C -1.406 174.185 176.117 -0.876 0.000 1.292 993 I CA -0.568 60.325 61.300 -0.677 0.000 1.050 993 I CB 1.514 39.350 38.000 -0.273 0.000 1.301 993 I HN 0.713 nan 8.210 nan 0.000 0.425 994 N N 6.480 124.781 118.700 -0.664 0.000 2.892 994 N HA 0.406 5.145 4.740 -0.002 0.000 0.300 994 N C -1.078 174.326 175.510 -0.176 0.000 1.211 994 N CA 0.418 53.266 53.050 -0.336 0.000 1.158 994 N CB -0.128 38.293 38.487 -0.110 0.000 1.455 994 N HN 0.649 nan 8.380 nan 0.000 0.524 995 A N 0.950 123.674 122.820 -0.160 0.000 2.422 995 A HA 0.621 4.940 4.320 -0.002 0.000 0.302 995 A C -0.628 176.941 177.584 -0.024 0.000 1.041 995 A CA -0.637 51.346 52.037 -0.090 0.000 0.708 995 A CB 1.299 20.229 19.000 -0.117 0.000 1.257 995 A HN 0.302 nan 8.150 nan 0.000 0.414 996 S N 0.884 116.577 115.700 -0.012 0.000 2.472 996 S HA 0.639 5.108 4.470 -0.002 0.000 0.303 996 S C -0.638 174.006 174.600 0.073 0.000 1.099 996 S CA -0.257 57.973 58.200 0.050 0.000 1.077 996 S CB 0.596 63.803 63.200 0.012 0.000 1.031 996 S HN 0.483 nan 8.310 nan 0.000 0.487 997 F N 2.845 122.736 119.950 -0.098 0.000 2.443 997 F HA 0.319 4.845 4.527 -0.002 0.000 0.353 997 F C 0.603 176.362 175.800 -0.069 0.000 1.101 997 F CA -0.049 57.901 58.000 -0.082 0.000 1.226 997 F CB 0.481 39.428 39.000 -0.087 0.000 1.140 997 F HN 0.283 nan 8.300 nan 0.000 0.557 1001 Y N 2.878 123.107 120.300 -0.120 0.000 2.096 1001 Y HA -0.112 4.436 4.550 -0.002 0.000 0.276 1001 Y C 0.339 176.035 175.900 -0.340 0.000 1.209 1001 Y CA 2.426 60.355 58.100 -0.286 0.000 1.137 1001 Y CB -0.056 38.142 38.460 -0.436 0.000 0.956 1001 Y HN 0.653 nan 8.280 nan 0.000 0.506 1002 W N 3.420 124.693 121.300 -0.045 0.000 2.367 1002 W HA 0.300 4.959 4.660 -0.002 0.000 0.329 1002 W C -0.080 176.382 176.519 -0.095 0.000 1.066 1002 W CA -0.966 56.305 57.345 -0.123 0.000 1.435 1002 W CB 0.296 29.749 29.460 -0.012 0.000 1.296 1002 W HN -0.240 nan 8.180 nan 0.000 0.401 1003 K N 4.219 124.648 120.400 0.049 0.000 2.326 1003 K HA 0.098 4.417 4.320 -0.002 0.000 0.275 1003 K C -1.253 175.396 176.600 0.081 0.000 1.018 1003 K CA -0.959 55.350 56.287 0.037 0.000 0.962 1003 K CB 0.939 33.422 32.500 -0.029 0.000 0.953 1003 K HN 0.279 nan 8.250 nan 0.000 0.475 1004 P HA 0.073 nan 4.420 nan 0.000 0.257 1004 P C -0.633 176.715 177.300 0.081 0.000 1.325 1004 P CA 0.014 63.155 63.100 0.068 0.000 0.850 1004 P CB 0.342 32.082 31.700 0.065 0.000 1.324 1005 E N 0.147 120.403 120.200 0.094 0.000 2.502 1005 E HA 0.162 4.511 4.350 -0.002 0.000 0.261 1005 E C -0.055 176.587 176.600 0.069 0.000 0.974 1005 E CA 0.325 56.775 56.400 0.083 0.000 0.936 1005 E CB 0.725 30.491 29.700 0.110 0.000 0.926 1005 E HN -0.025 nan 8.360 nan 0.000 0.459 1009 A N 4.640 127.399 122.820 -0.102 0.000 2.644 1009 A HA 0.903 5.222 4.320 -0.002 0.000 0.343 1009 A C -0.112 177.454 177.584 -0.030 0.000 1.324 1009 A CA -0.116 51.900 52.037 -0.036 0.000 0.846 1009 A CB 0.590 19.584 19.000 -0.009 0.000 1.128 1009 A HN 0.805 nan 8.150 nan 0.000 0.484 1010 A N 1.752 124.565 122.820 -0.012 0.000 2.284 1010 A HA 0.779 5.098 4.320 -0.002 0.000 0.317 1010 A C 0.090 177.689 177.584 0.024 0.000 1.120 1010 A CA -0.640 51.394 52.037 -0.006 0.000 0.900 1010 A CB 0.551 19.549 19.000 -0.003 0.000 1.319 1010 A HN 0.904 nan 8.150 nan 0.000 0.494 1011 Q N 0.018 119.792 119.800 -0.043 0.000 2.226 1011 Q HA 0.574 4.912 4.340 -0.002 0.000 0.256 1011 Q C 0.341 176.162 176.000 -0.299 0.000 0.962 1011 Q CA -0.445 55.301 55.803 -0.095 0.000 0.887 1011 Q CB 1.083 29.760 28.738 -0.101 0.000 1.282 1011 Q HN 0.916 nan 8.270 nan 0.000 0.449 1012 G N 2.864 111.470 108.800 -0.324 0.000 2.287 1012 G HA2 0.142 4.101 3.960 -0.002 0.000 0.235 1012 G HA3 0.142 4.101 3.960 -0.002 0.000 0.235 1012 G C -2.040 172.459 174.900 -0.668 0.000 1.258 1012 G CA -0.716 43.981 45.100 -0.672 0.000 0.884 1012 G HN 0.638 nan 8.290 nan 0.000 0.518 1013 P HA 0.034 nan 4.420 nan 0.000 0.268 1013 P C -0.087 176.989 177.300 -0.372 0.000 1.208 1013 P CA 0.034 62.647 63.100 -0.812 0.000 0.777 1013 P CB 1.075 32.093 31.700 -1.137 0.000 0.875 1014 L N 2.920 124.001 121.223 -0.237 0.000 2.325 1014 L HA 0.231 4.570 4.340 -0.002 0.000 0.279 1014 L C 2.064 178.887 176.870 -0.079 0.000 1.054 1014 L CA -0.550 54.215 54.840 -0.125 0.000 0.804 1014 L CB 0.918 42.931 42.059 -0.077 0.000 1.200 1014 L HN 0.476 nan 8.230 nan 0.000 0.436 1015 K N 1.535 121.905 120.400 -0.050 0.000 2.525 1015 K HA -0.196 4.123 4.320 -0.002 0.000 0.199 1015 K C 0.938 177.544 176.600 0.010 0.000 1.047 1015 K CA 1.741 58.018 56.287 -0.017 0.000 0.930 1015 K CB 0.309 32.800 32.500 -0.015 0.000 0.763 1015 K HN 0.635 nan 8.250 nan 0.000 0.492 1016 E N -1.835 118.368 120.200 0.005 0.000 2.485 1016 E HA -0.003 4.346 4.350 -0.002 0.000 0.213 1016 E C 1.022 177.646 176.600 0.038 0.000 0.923 1016 E CA 0.568 56.986 56.400 0.029 0.000 1.054 1016 E CB 0.439 30.154 29.700 0.025 0.000 1.077 1016 E HN 0.285 nan 8.360 nan 0.000 0.509 1017 T N -0.234 114.325 114.554 0.008 0.000 3.060 1017 T HA 0.281 4.630 4.350 -0.002 0.000 0.249 1017 T C 1.989 176.704 174.700 0.024 0.000 1.079 1017 T CA -0.297 61.810 62.100 0.012 0.000 1.013 1017 T CB -0.297 68.552 68.868 -0.033 0.000 0.975 1017 T HN -0.004 nan 8.240 nan 0.000 0.518 1018 I N 2.016 122.594 120.570 0.013 0.000 2.367 1018 I HA -0.226 3.943 4.170 -0.002 0.000 0.256 1018 I C 2.650 178.854 176.117 0.145 0.000 1.132 1018 I CA 1.570 62.898 61.300 0.046 0.000 1.397 1018 I CB -0.774 37.292 38.000 0.110 0.000 1.074 1018 I HN 0.449 nan 8.210 nan 0.000 0.435 1019 G N 0.574 109.485 108.800 0.185 0.000 2.425 1019 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.213 1019 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.213 1019 G C 1.259 176.283 174.900 0.206 0.000 1.201 1019 G CA 0.603 45.853 45.100 0.250 0.000 0.799 1019 G HN 0.298 nan 8.290 nan 0.000 0.534 1020 D N 0.490 120.972 120.400 0.138 0.000 2.116 1020 D HA -0.165 4.473 4.640 -0.002 0.000 0.193 1020 D C 2.051 178.393 176.300 0.069 0.000 0.998 1020 D CA 0.849 54.904 54.000 0.092 0.000 0.836 1020 D CB -0.402 40.430 40.800 0.053 0.000 0.951 1020 D HN 0.199 nan 8.370 nan 0.000 0.449 1021 F N 0.740 120.598 119.950 -0.154 0.000 2.048 1021 F HA -0.281 4.245 4.527 -0.002 0.000 0.296 1021 F C 2.110 177.681 175.800 -0.381 0.000 1.109 1021 F CA 1.752 59.544 58.000 -0.348 0.000 1.214 1021 F CB -0.766 37.917 39.000 -0.528 0.000 0.963 1021 F HN 0.026 nan 8.300 nan 0.000 0.491 1022 W N 0.116 121.363 121.300 -0.087 0.000 2.402 1022 W HA -0.080 4.579 4.660 -0.002 0.000 0.286 1022 W C 1.681 178.169 176.519 -0.052 0.000 1.221 1022 W CA 0.610 57.880 57.345 -0.125 0.000 1.257 1022 W CB -0.959 28.441 29.460 -0.101 0.000 1.120 1022 W HN -0.011 nan 8.180 nan 0.000 0.551 1026 F N 1.631 121.524 119.950 -0.095 0.000 2.514 1026 F HA 0.323 4.849 4.527 -0.002 0.000 0.281 1026 F C 2.285 178.081 175.800 -0.007 0.000 1.060 1026 F CA 1.096 59.091 58.000 -0.010 0.000 1.397 1026 F CB 0.333 39.364 39.000 0.051 0.000 1.129 1026 F HN -0.067 nan 8.300 nan 0.000 0.620 1027 Q N -0.035 119.877 119.800 0.187 0.000 2.016 1027 Q HA -0.137 4.202 4.340 -0.002 0.000 0.200 1027 Q C 1.621 177.619 176.000 -0.003 0.000 0.978 1027 Q CA 1.201 57.077 55.803 0.121 0.000 0.833 1027 Q CB -0.223 28.582 28.738 0.113 0.000 0.895 1027 Q HN 0.097 nan 8.270 nan 0.000 0.427 1028 R N 1.070 121.536 120.500 -0.057 0.000 2.328 1028 R HA 0.075 4.413 4.340 -0.002 0.000 0.200 1028 R C -0.317 175.887 176.300 -0.160 0.000 0.983 1028 R CA 0.204 56.239 56.100 -0.108 0.000 1.062 1028 R CB -0.237 29.970 30.300 -0.155 0.000 0.956 1028 R HN 0.148 nan 8.270 nan 0.000 0.479 1029 K N -0.152 120.142 120.400 -0.176 0.000 3.653 1029 K HA -0.153 4.165 4.320 -0.002 0.000 0.275 1029 K C -0.686 175.807 176.600 -0.178 0.000 0.962 1029 K CA 0.322 56.483 56.287 -0.210 0.000 0.773 1029 K CB -1.647 30.748 32.500 -0.174 0.000 1.463 1029 K HN -0.012 nan 8.250 nan 0.000 0.450 1030 V N 1.152 120.956 119.914 -0.183 0.000 2.715 1030 V HA 0.012 4.131 4.120 -0.002 0.000 0.299 1030 V C 1.410 177.451 176.094 -0.088 0.000 1.054 1030 V CA 0.341 62.547 62.300 -0.158 0.000 1.077 1030 V CB 1.568 33.264 31.823 -0.212 0.000 0.972 1030 V HN 0.419 nan 8.190 nan 0.000 0.484 1031 K N 3.113 123.487 120.400 -0.044 0.000 2.387 1031 K HA 0.321 4.640 4.320 -0.002 0.000 0.197 1031 K C -0.324 176.342 176.600 0.109 0.000 1.127 1031 K CA 0.558 56.867 56.287 0.036 0.000 0.950 1031 K CB 0.690 33.198 32.500 0.013 0.000 1.017 1031 K HN 0.480 nan 8.250 nan 0.000 0.519 1032 V N 2.019 121.965 119.914 0.054 0.000 2.808 1032 V HA 0.458 4.577 4.120 -0.002 0.000 0.308 1032 V C -0.845 175.281 176.094 0.055 0.000 1.099 1032 V CA -0.859 61.510 62.300 0.115 0.000 0.920 1032 V CB 2.030 33.900 31.823 0.078 0.000 1.014 1032 V HN 0.015 nan 8.190 nan 0.000 0.425 1033 I N 3.996 124.623 120.570 0.095 0.000 2.474 1033 I HA 0.685 4.854 4.170 -0.002 0.000 0.294 1033 I C -0.480 175.667 176.117 0.050 0.000 1.005 1033 I CA -0.755 60.565 61.300 0.032 0.000 1.113 1033 I CB 2.111 40.131 38.000 0.033 0.000 1.289 1033 I HN 0.309 nan 8.210 nan 0.000 0.436 1037 T N -3.512 111.002 114.554 -0.067 0.000 2.907 1037 T HA 0.759 5.108 4.350 -0.002 0.000 0.290 1037 T C -0.136 174.596 174.700 0.054 0.000 1.066 1037 T CA -0.532 61.552 62.100 -0.026 0.000 1.012 1037 T CB 2.901 71.767 68.868 -0.003 0.000 1.184 1037 T HN -0.100 nan 8.240 nan 0.000 0.522 1038 E N -0.256 119.972 120.200 0.046 0.000 2.312 1038 E HA 0.461 4.810 4.350 -0.002 0.000 0.259 1038 E C 0.976 177.638 176.600 0.104 0.000 1.122 1038 E CA -0.678 55.767 56.400 0.074 0.000 0.922 1038 E CB 0.703 30.425 29.700 0.036 0.000 1.109 1038 E HN 0.639 nan 8.360 nan 0.000 0.442 1039 L N 0.923 122.216 121.223 0.117 0.000 2.201 1039 L HA -0.030 4.308 4.340 -0.002 0.000 0.212 1039 L C 0.322 177.220 176.870 0.047 0.000 1.105 1039 L CA 1.148 56.041 54.840 0.089 0.000 0.775 1039 L CB -0.376 41.714 42.059 0.052 0.000 0.913 1039 L HN 0.488 nan 8.230 nan 0.000 0.440 1040 K N -2.042 118.389 120.400 0.051 0.000 2.622 1040 K HA 0.201 4.520 4.320 -0.002 0.000 0.273 1040 K C -1.156 175.498 176.600 0.090 0.000 0.957 1040 K CA -0.871 55.452 56.287 0.059 0.000 0.861 1040 K CB 0.910 33.431 32.500 0.036 0.000 1.405 1040 K HN -0.225 nan 8.250 nan 0.000 0.406 1041 H N 1.411 120.478 119.070 -0.005 0.000 2.527 1041 H HA 0.333 4.888 4.556 -0.002 0.000 0.321 1041 H C 1.091 176.416 175.328 -0.005 0.000 1.087 1041 H CA 1.690 57.735 56.048 -0.005 0.000 1.337 1041 H CB 1.100 30.857 29.762 -0.009 0.000 1.440 1041 H HN 0.929 nan 8.280 nan 0.000 0.490 1042 G N 5.544 114.448 108.800 0.173 0.000 3.284 1042 G HA2 -0.441 3.517 3.960 -0.002 0.000 0.351 1042 G HA3 -0.441 3.517 3.960 -0.002 0.000 0.351 1042 G C 0.781 175.747 174.900 0.111 0.000 1.232 1042 G CA 1.354 46.559 45.100 0.175 0.000 1.001 1042 G HN 0.757 nan 8.290 nan 0.000 0.639 1043 D N 0.105 120.575 120.400 0.117 0.000 2.448 1043 D HA 0.065 4.703 4.640 -0.002 0.000 0.256 1043 D C 1.016 177.339 176.300 0.038 0.000 1.108 1043 D CA 0.698 54.730 54.000 0.054 0.000 0.848 1043 D CB -0.448 40.373 40.800 0.035 0.000 1.281 1043 D HN 0.664 nan 8.370 nan 0.000 0.509 1044 Q N 2.347 122.172 119.800 0.043 0.000 2.286 1044 Q HA 0.145 4.484 4.340 -0.002 0.000 0.257 1044 Q C 0.039 176.051 176.000 0.021 0.000 0.941 1044 Q CA -0.222 55.585 55.803 0.007 0.000 0.912 1044 Q CB 1.163 29.875 28.738 -0.042 0.000 1.192 1044 Q HN 0.408 nan 8.270 nan 0.000 0.410 1045 E N 3.158 123.359 120.200 0.003 0.000 2.299 1045 E HA 0.120 4.469 4.350 -0.002 0.000 0.272 1045 E C -0.186 176.413 176.600 -0.001 0.000 1.043 1045 E CA -0.289 56.112 56.400 0.002 0.000 0.895 1045 E CB 0.541 30.232 29.700 -0.014 0.000 1.011 1045 E HN 0.708 nan 8.360 nan 0.000 0.432 1046 I N 2.325 122.905 120.570 0.015 0.000 3.228 1046 I HA 0.081 4.249 4.170 -0.002 0.000 0.279 1046 I C 0.787 176.903 176.117 -0.001 0.000 1.221 1046 I CA 0.141 61.446 61.300 0.008 0.000 1.458 1046 I CB 0.551 38.568 38.000 0.028 0.000 1.105 1046 I HN 0.653 nan 8.210 nan 0.000 0.445 1047 C N -0.965 118.339 119.300 0.007 0.000 3.318 1047 C HA 0.736 5.195 4.460 -0.002 0.000 0.322 1047 C C 0.789 175.770 174.990 -0.016 0.000 1.398 1047 C CA -0.310 58.705 59.018 -0.005 0.000 1.339 1047 C CB 0.958 28.744 27.740 0.078 0.000 1.668 1047 C HN 0.352 nan 8.230 nan 0.000 0.462 1048 A N 0.864 123.661 122.820 -0.037 0.000 3.754 1048 A HA 0.624 4.943 4.320 -0.002 0.000 0.165 1048 A C 0.023 177.565 177.584 -0.069 0.000 1.775 1048 A CA 0.393 52.403 52.037 -0.045 0.000 1.457 1048 A CB -0.024 18.945 19.000 -0.051 0.000 1.597 1048 A HN 0.860 nan 8.150 nan 0.000 0.658 1049 Q N -0.723 119.026 119.800 -0.085 0.000 4.079 1049 Q HA 0.138 4.476 4.340 -0.002 0.000 0.178 1049 Q C -0.784 175.109 176.000 -0.178 0.000 0.810 1049 Q CA -0.155 55.405 55.803 -0.405 0.000 0.819 1049 Q CB 0.551 28.920 28.738 -0.615 0.000 1.558 1049 Q HN 0.797 nan 8.270 nan 0.000 0.423 1050 Y N -1.022 119.344 120.300 0.111 0.000 2.821 1050 Y HA -0.063 4.486 4.550 -0.002 0.000 0.300 1050 Y C 0.035 176.339 175.900 0.674 0.000 1.162 1050 Y CA -0.089 58.256 58.100 0.408 0.000 1.424 1050 Y CB -0.654 38.109 38.460 0.505 0.000 0.972 1050 Y HN 0.360 nan 8.280 nan 0.000 0.561 1051 W N -0.157 121.283 121.300 0.233 0.000 3.033 1051 W HA 0.833 5.492 4.660 -0.002 0.000 0.336 1051 W C -0.550 176.069 176.519 0.166 0.000 1.173 1051 W CA -1.342 56.184 57.345 0.302 0.000 1.185 1051 W CB 1.089 30.806 29.460 0.429 0.000 1.425 1051 W HN 0.038 nan 8.180 nan 0.000 0.536 1052 G N 0.808 109.766 108.800 0.263 0.000 2.798 1052 G HA2 0.394 4.353 3.960 -0.002 0.000 0.286 1052 G HA3 0.394 4.353 3.960 -0.002 0.000 0.286 1052 G C -0.255 174.734 174.900 0.147 0.000 1.389 1052 G CA -0.688 44.462 45.100 0.084 0.000 0.894 1052 G HN 0.469 nan 8.290 nan 0.000 0.488 1053 E N -0.116 120.124 120.200 0.067 0.000 2.216 1053 E HA 0.057 4.405 4.350 -0.002 0.000 0.192 1053 E C 1.881 178.488 176.600 0.011 0.000 0.988 1053 E CA 0.775 57.200 56.400 0.042 0.000 0.834 1053 E CB -0.275 29.437 29.700 0.020 0.000 0.772 1053 E HN 0.462 nan 8.360 nan 0.000 0.479 1054 G N 1.153 109.955 108.800 0.003 0.000 2.711 1054 G HA2 -0.034 3.925 3.960 -0.002 0.000 0.186 1054 G HA3 -0.034 3.925 3.960 -0.002 0.000 0.186 1054 G C 0.273 175.161 174.900 -0.020 0.000 1.635 1054 G CA -0.245 44.845 45.100 -0.017 0.000 1.065 1054 G HN 0.096 nan 8.290 nan 0.000 0.545 1055 K N 0.306 120.681 120.400 -0.042 0.000 3.167 1055 K HA 0.166 4.484 4.320 -0.002 0.000 0.208 1055 K C -0.147 176.392 176.600 -0.102 0.000 1.159 1055 K CA -0.371 55.885 56.287 -0.051 0.000 1.018 1055 K CB 0.018 32.488 32.500 -0.050 0.000 0.927 1055 K HN 0.223 nan 8.250 nan 0.000 0.476 1056 Q N 0.794 120.528 119.800 -0.111 0.000 2.431 1056 Q HA -0.099 4.240 4.340 -0.002 0.000 0.349 1056 Q C -0.126 175.617 176.000 -0.428 0.000 1.119 1056 Q CA 0.946 56.574 55.803 -0.292 0.000 1.065 1056 Q CB 0.862 29.495 28.738 -0.175 0.000 1.149 1056 Q HN 0.268 nan 8.270 nan 0.000 0.403 1057 T N 2.939 117.105 114.554 -0.648 0.000 2.881 1057 T HA 0.562 4.911 4.350 -0.002 0.000 0.291 1057 T C -1.614 172.722 174.700 -0.607 0.000 0.990 1057 T CA -0.577 61.247 62.100 -0.459 0.000 0.976 1057 T CB 0.171 68.901 68.868 -0.230 0.000 0.970 1057 T HN 0.330 nan 8.240 nan 0.000 0.438 1058 Y N 3.882 124.132 120.300 -0.084 0.000 2.388 1058 Y HA 0.579 5.128 4.550 -0.002 0.000 0.328 1058 Y C 1.288 177.185 175.900 -0.005 0.000 0.963 1058 Y CA -0.096 57.994 58.100 -0.017 0.000 1.240 1058 Y CB 1.214 39.697 38.460 0.038 0.000 1.118 1058 Y HN 1.100 nan 8.280 nan 0.000 0.484 1059 G N 2.405 111.258 108.800 0.089 0.000 2.574 1059 G HA2 -0.410 3.549 3.960 -0.002 0.000 0.286 1059 G HA3 -0.410 3.549 3.960 -0.002 0.000 0.286 1059 G C 1.037 175.951 174.900 0.023 0.000 1.212 1059 G CA 0.594 45.730 45.100 0.060 0.000 0.979 1059 G HN 0.632 nan 8.290 nan 0.000 0.557 1060 D N 0.412 120.822 120.400 0.016 0.000 2.219 1060 D HA -0.035 4.603 4.640 -0.002 0.000 0.205 1060 D C 1.474 177.742 176.300 -0.054 0.000 0.970 1060 D CA 1.389 55.383 54.000 -0.010 0.000 0.851 1060 D CB -0.226 40.571 40.800 -0.005 0.000 0.943 1060 D HN 0.685 nan 8.370 nan 0.000 0.488 1061 I N -1.112 119.409 120.570 -0.083 0.000 2.577 1061 I HA 0.453 4.622 4.170 -0.002 0.000 0.300 1061 I C -0.390 175.679 176.117 -0.080 0.000 0.990 1061 I CA -0.881 60.311 61.300 -0.179 0.000 1.283 1061 I CB 1.431 39.279 38.000 -0.252 0.000 1.411 1061 I HN -0.234 nan 8.210 nan 0.000 0.515 1062 E N 3.721 123.854 120.200 -0.112 0.000 2.244 1062 E HA 0.564 4.912 4.350 -0.002 0.000 0.260 1062 E C -1.107 175.449 176.600 -0.074 0.000 0.884 1062 E CA -0.903 55.448 56.400 -0.083 0.000 0.777 1062 E CB 1.903 31.562 29.700 -0.067 0.000 1.197 1062 E HN 0.760 nan 8.360 nan 0.000 0.416 1063 V N 1.034 120.891 119.914 -0.096 0.000 3.109 1063 V HA 0.742 4.861 4.120 -0.002 0.000 0.317 1063 V C -0.512 175.585 176.094 0.005 0.000 1.074 1063 V CA -0.342 61.904 62.300 -0.090 0.000 1.033 1063 V CB 1.822 33.434 31.823 -0.352 0.000 1.111 1063 V HN 0.785 nan 8.190 nan 0.000 0.458 1064 D N 1.400 121.845 120.400 0.075 0.000 2.251 1064 D HA 0.247 4.885 4.640 -0.002 0.000 0.210 1064 D C -0.703 175.587 176.300 -0.017 0.000 1.304 1064 D CA -0.342 53.671 54.000 0.023 0.000 0.912 1064 D CB 0.852 41.654 40.800 0.002 0.000 1.553 1064 D HN 1.084 nan 8.370 nan 0.000 0.526 1065 L N 1.057 122.201 121.223 -0.132 0.000 2.426 1065 L HA 0.577 4.915 4.340 -0.002 0.000 0.271 1065 L C 0.193 176.922 176.870 -0.235 0.000 1.169 1065 L CA -0.387 54.213 54.840 -0.399 0.000 0.836 1065 L CB 1.271 42.899 42.059 -0.719 0.000 1.112 1065 L HN 0.149 nan 8.230 nan 0.000 0.465 1066 K N 0.986 121.244 120.400 -0.236 0.000 2.399 1066 K HA 0.323 4.642 4.320 -0.002 0.000 0.196 1066 K C -0.794 175.713 176.600 -0.155 0.000 1.103 1066 K CA 0.307 56.502 56.287 -0.152 0.000 0.986 1066 K CB 0.554 32.985 32.500 -0.115 0.000 0.952 1066 K HN 0.793 nan 8.250 nan 0.000 0.541 1067 D N -1.104 119.169 120.400 -0.212 0.000 2.655 1067 D HA 0.281 4.920 4.640 -0.002 0.000 0.229 1067 D C -1.072 175.101 176.300 -0.212 0.000 1.229 1067 D CA -0.342 53.554 54.000 -0.172 0.000 0.807 1067 D CB 2.393 43.110 40.800 -0.138 0.000 1.514 1067 D HN -0.272 nan 8.370 nan 0.000 0.444 1068 T N 1.199 115.662 114.554 -0.152 0.000 3.078 1068 T HA 0.276 4.625 4.350 -0.002 0.000 0.328 1068 T C -1.435 173.213 174.700 -0.087 0.000 0.987 1068 T CA -0.738 61.273 62.100 -0.148 0.000 1.049 1068 T CB 1.047 69.838 68.868 -0.128 0.000 1.011 1068 T HN 0.129 nan 8.240 nan 0.000 0.463 1069 D N 3.039 123.396 120.400 -0.072 0.000 2.414 1069 D HA 0.257 4.896 4.640 -0.002 0.000 0.232 1069 D C -0.073 176.219 176.300 -0.013 0.000 1.070 1069 D CA -0.473 53.509 54.000 -0.030 0.000 0.839 1069 D CB 1.602 42.400 40.800 -0.004 0.000 1.079 1069 D HN 0.234 nan 8.370 nan 0.000 0.521 1070 K N 1.042 121.427 120.400 -0.025 0.000 2.201 1070 K HA 0.384 4.703 4.320 -0.002 0.000 0.278 1070 K C -0.138 176.419 176.600 -0.073 0.000 1.027 1070 K CA -0.372 55.894 56.287 -0.035 0.000 0.909 1070 K CB 1.760 34.244 32.500 -0.027 0.000 1.062 1070 K HN 0.280 nan 8.250 nan 0.000 0.465 1071 S N 0.616 116.232 115.700 -0.139 0.000 2.599 1071 S HA 0.129 4.598 4.470 -0.002 0.000 0.294 1071 S C 1.087 175.576 174.600 -0.184 0.000 1.094 1071 S CA -0.564 57.500 58.200 -0.226 0.000 0.931 1071 S CB 1.441 64.324 63.200 -0.528 0.000 1.093 1071 S HN 0.627 nan 8.310 nan 0.000 0.488 1072 S N 1.780 117.393 115.700 -0.144 0.000 2.462 1072 S HA -0.125 4.344 4.470 -0.002 0.000 0.243 1072 S C 1.383 175.934 174.600 -0.083 0.000 1.003 1072 S CA 1.881 60.027 58.200 -0.090 0.000 0.970 1072 S CB -1.063 62.101 63.200 -0.061 0.000 0.762 1072 S HN 0.946 nan 8.310 nan 0.000 0.510 1073 T N -2.075 112.401 114.554 -0.129 0.000 3.138 1073 T HA 0.363 4.712 4.350 -0.002 0.000 0.245 1073 T C 0.634 175.378 174.700 0.073 0.000 0.982 1073 T CA 0.149 62.246 62.100 -0.005 0.000 1.134 1073 T CB -0.327 68.632 68.868 0.153 0.000 1.032 1073 T HN 0.607 nan 8.240 nan 0.000 0.442 1074 Y N 1.630 122.037 120.300 0.178 0.000 2.914 1074 Y HA 0.821 5.369 4.550 -0.002 0.000 0.315 1074 Y C -0.708 175.253 175.900 0.102 0.000 1.345 1074 Y CA -1.087 57.131 58.100 0.197 0.000 1.121 1074 Y CB 0.750 39.416 38.460 0.344 0.000 1.363 1074 Y HN 0.201 nan 8.280 nan 0.000 0.566 1075 T N -0.028 114.783 114.554 0.428 0.000 3.143 1075 T HA 0.495 4.844 4.350 -0.002 0.000 0.312 1075 T C -1.689 173.089 174.700 0.129 0.000 0.986 1075 T CA -0.597 61.622 62.100 0.199 0.000 1.024 1075 T CB 0.959 69.859 68.868 0.053 0.000 1.030 1075 T HN 0.953 nan 8.240 nan 0.000 0.448 1076 L N 3.192 124.449 121.223 0.056 0.000 2.312 1076 L HA 0.747 5.085 4.340 -0.002 0.000 0.281 1076 L C -0.269 176.483 176.870 -0.196 0.000 1.070 1076 L CA -0.195 54.519 54.840 -0.211 0.000 0.805 1076 L CB 0.693 42.590 42.059 -0.269 0.000 1.174 1076 L HN 0.746 nan 8.230 nan 0.000 0.434 1077 R N 4.197 124.566 120.500 -0.218 0.000 2.513 1077 R HA 0.628 4.967 4.340 -0.002 0.000 0.301 1077 R C -1.508 174.686 176.300 -0.176 0.000 0.968 1077 R CA -0.897 55.046 56.100 -0.262 0.000 0.872 1077 R CB 2.117 32.212 30.300 -0.341 0.000 1.177 1077 R HN 0.489 nan 8.270 nan 0.000 0.444 1078 V N 4.821 124.556 119.914 -0.298 0.000 2.347 1078 V HA 0.422 4.541 4.120 -0.002 0.000 0.280 1078 V C -0.480 175.470 176.094 -0.239 0.000 1.021 1078 V CA -0.515 61.634 62.300 -0.252 0.000 0.847 1078 V CB 0.418 32.041 31.823 -0.334 0.000 0.990 1078 V HN 0.505 nan 8.190 nan 0.000 0.444 1079 F N 2.081 121.975 119.950 -0.094 0.000 2.457 1079 F HA 0.624 5.149 4.527 -0.002 0.000 0.330 1079 F C 0.527 176.315 175.800 -0.019 0.000 1.069 1079 F CA -1.145 56.851 58.000 -0.007 0.000 1.009 1079 F CB 1.259 40.338 39.000 0.130 0.000 1.276 1079 F HN 0.371 nan 8.300 nan 0.000 0.492 1080 E N 1.542 121.859 120.200 0.195 0.000 2.244 1080 E HA 0.470 4.819 4.350 -0.002 0.000 0.260 1080 E C -1.500 175.185 176.600 0.141 0.000 0.884 1080 E CA -0.379 56.092 56.400 0.118 0.000 0.777 1080 E CB 1.323 31.053 29.700 0.049 0.000 1.197 1080 E HN 0.447 nan 8.360 nan 0.000 0.416 1081 L N 3.250 124.575 121.223 0.169 0.000 2.344 1081 L HA 0.689 5.028 4.340 -0.002 0.000 0.272 1081 L C 0.303 177.249 176.870 0.126 0.000 1.035 1081 L CA -0.725 54.226 54.840 0.185 0.000 0.807 1081 L CB 1.607 43.886 42.059 0.366 0.000 1.237 1081 L HN 0.481 nan 8.230 nan 0.000 0.442 1082 R N -0.486 119.998 120.500 -0.027 0.000 2.756 1082 R HA 0.477 4.816 4.340 -0.002 0.000 0.273 1082 R C -1.683 174.389 176.300 -0.379 0.000 1.030 1082 R CA -0.799 55.166 56.100 -0.224 0.000 0.887 1082 R CB 2.338 32.631 30.300 -0.012 0.000 1.274 1082 R HN 0.803 nan 8.270 nan 0.000 0.461 1083 H N -1.852 117.176 119.070 -0.070 0.000 3.048 1083 H HA 0.349 4.904 4.556 -0.002 0.000 0.296 1083 H C 0.296 175.601 175.328 -0.040 0.000 1.508 1083 H CA -0.614 55.367 56.048 -0.113 0.000 1.250 1083 H CB 0.404 30.077 29.762 -0.148 0.000 1.896 1083 H HN 0.426 nan 8.280 nan 0.000 0.604 1084 S N -1.129 114.642 115.700 0.120 0.000 2.555 1084 S HA -0.100 4.368 4.470 -0.002 0.000 0.230 1084 S C 1.118 175.729 174.600 0.019 0.000 0.978 1084 S CA 0.700 58.928 58.200 0.048 0.000 0.934 1084 S CB -0.474 62.732 63.200 0.010 0.000 0.766 1084 S HN 0.505 nan 8.310 nan 0.000 0.533 1085 K N 1.827 122.191 120.400 -0.060 0.000 2.836 1085 K HA 0.073 4.392 4.320 -0.002 0.000 0.236 1085 K C 0.568 177.180 176.600 0.021 0.000 1.015 1085 K CA -0.309 55.840 56.287 -0.230 0.000 1.194 1085 K CB -0.076 31.872 32.500 -0.920 0.000 1.002 1085 K HN 0.391 nan 8.250 nan 0.000 0.479 1086 R N 0.598 121.169 120.500 0.118 0.000 3.213 1086 R HA -0.167 4.172 4.340 -0.002 0.000 0.282 1086 R C 0.370 176.736 176.300 0.110 0.000 0.952 1086 R CA 0.512 56.692 56.100 0.133 0.000 1.176 1086 R CB -0.123 30.224 30.300 0.077 0.000 1.142 1086 R HN 0.045 nan 8.270 nan 0.000 0.495 1087 K N 0.011 120.464 120.400 0.088 0.000 3.020 1087 K HA -0.201 4.118 4.320 -0.002 0.000 0.266 1087 K C -0.575 176.077 176.600 0.085 0.000 1.067 1087 K CA 1.854 58.184 56.287 0.071 0.000 0.780 1087 K CB -1.301 31.229 32.500 0.049 0.000 1.220 1087 K HN 0.844 nan 8.250 nan 0.000 0.483 1088 D N -2.705 117.768 120.400 0.122 0.000 2.895 1088 D HA 0.726 5.365 4.640 -0.002 0.000 0.320 1088 D C -1.017 175.367 176.300 0.140 0.000 1.249 1088 D CA -0.035 54.048 54.000 0.138 0.000 0.997 1088 D CB 1.791 42.712 40.800 0.202 0.000 1.430 1088 D HN -0.018 nan 8.370 nan 0.000 0.558 1089 S N -1.314 114.469 115.700 0.138 0.000 2.841 1089 S HA 0.271 4.740 4.470 -0.002 0.000 0.283 1089 S C -2.007 172.646 174.600 0.088 0.000 0.839 1089 S CA -0.699 57.567 58.200 0.111 0.000 0.843 1089 S CB 0.347 63.598 63.200 0.085 0.000 1.059 1089 S HN 0.576 nan 8.310 nan 0.000 0.502 1090 R N 1.737 122.289 120.500 0.086 0.000 2.494 1090 R HA 0.576 4.914 4.340 -0.002 0.000 0.305 1090 R C -0.454 175.895 176.300 0.082 0.000 0.959 1090 R CA -0.711 55.421 56.100 0.054 0.000 0.864 1090 R CB 1.928 32.209 30.300 -0.033 0.000 1.159 1090 R HN 0.546 nan 8.270 nan 0.000 0.446 1091 T N 1.763 116.363 114.554 0.076 0.000 2.771 1091 T HA 0.387 4.736 4.350 -0.002 0.000 0.291 1091 T C -0.414 174.344 174.700 0.096 0.000 0.954 1091 T CA -0.480 61.652 62.100 0.054 0.000 1.045 1091 T CB 0.543 69.410 68.868 -0.003 0.000 0.917 1091 T HN 0.219 nan 8.240 nan 0.000 0.484 1092 V N 7.033 127.017 119.914 0.116 0.000 2.407 1092 V HA 0.398 4.517 4.120 -0.002 0.000 0.291 1092 V C -0.911 175.310 176.094 0.212 0.000 1.018 1092 V CA -1.038 61.382 62.300 0.200 0.000 0.842 1092 V CB 0.659 32.597 31.823 0.192 0.000 0.996 1092 V HN 0.837 nan 8.190 nan 0.000 0.426 1093 Y N 2.756 123.143 120.300 0.145 0.000 2.299 1093 Y HA 0.536 5.084 4.550 -0.002 0.000 0.326 1093 Y C 0.502 176.475 175.900 0.121 0.000 1.164 1093 Y CA -0.460 57.713 58.100 0.121 0.000 1.234 1093 Y CB 0.821 39.358 38.460 0.127 0.000 1.219 1093 Y HN 0.615 nan 8.280 nan 0.000 0.497 1094 Q N 2.765 122.681 119.800 0.192 0.000 2.292 1094 Q HA 0.361 4.700 4.340 -0.002 0.000 0.270 1094 Q C -2.225 173.759 176.000 -0.027 0.000 1.024 1094 Q CA -0.775 55.117 55.803 0.148 0.000 0.768 1094 Q CB 1.056 29.911 28.738 0.195 0.000 1.250 1094 Q HN 0.760 nan 8.270 nan 0.000 0.447 1095 Y N 2.131 122.446 120.300 0.025 0.000 2.342 1095 Y HA 0.233 4.781 4.550 -0.002 0.000 0.338 1095 Y C -0.102 175.793 175.900 -0.008 0.000 0.965 1095 Y CA -0.487 57.596 58.100 -0.027 0.000 1.159 1095 Y CB 1.819 40.188 38.460 -0.151 0.000 1.157 1095 Y HN 0.543 nan 8.280 nan 0.000 0.486 1096 Q N 3.840 123.730 119.800 0.150 0.000 2.314 1096 Q HA 0.264 4.602 4.340 -0.002 0.000 0.259 1096 Q C -1.768 174.392 176.000 0.268 0.000 0.951 1096 Q CA -0.822 55.063 55.803 0.135 0.000 0.909 1096 Q CB 0.856 29.627 28.738 0.056 0.000 1.236 1096 Q HN 0.702 nan 8.270 nan 0.000 0.444 1097 Y N 3.539 123.898 120.300 0.097 0.000 2.313 1097 Y HA 0.266 4.815 4.550 -0.002 0.000 0.332 1097 Y C 0.238 176.232 175.900 0.155 0.000 1.071 1097 Y CA 0.069 58.270 58.100 0.169 0.000 1.169 1097 Y CB 1.525 40.087 38.460 0.169 0.000 1.192 1097 Y HN 0.756 nan 8.280 nan 0.000 0.487 1098 T N 2.228 116.499 114.554 -0.471 0.000 3.523 1098 T HA -0.033 4.316 4.350 -0.002 0.000 0.216 1098 T C 0.377 174.843 174.700 -0.390 0.000 0.922 1098 T CA -0.206 61.701 62.100 -0.322 0.000 1.558 1098 T CB -0.317 68.435 68.868 -0.192 0.000 1.424 1098 T HN 0.557 nan 8.240 nan 0.000 0.452 1099 N N 1.877 120.323 118.700 -0.423 0.000 2.705 1099 N HA -0.139 4.600 4.740 -0.002 0.000 0.278 1099 N C -1.239 174.306 175.510 0.058 0.000 1.190 1099 N CA 0.762 53.701 53.050 -0.185 0.000 1.052 1099 N CB -0.607 37.793 38.487 -0.145 0.000 1.183 1099 N HN 0.467 nan 8.380 nan 0.000 0.567 1100 W N 0.631 121.857 121.300 -0.125 0.000 2.945 1100 W HA 0.137 4.796 4.660 -0.002 0.000 0.282 1100 W C -1.136 175.373 176.519 -0.016 0.000 1.112 1100 W CA -0.995 56.338 57.345 -0.020 0.000 1.121 1100 W CB -0.487 29.031 29.460 0.096 0.000 0.772 1100 W HN -0.236 nan 8.180 nan 0.000 0.279 1101 S N 1.856 117.661 115.700 0.176 0.000 2.601 1101 S HA 0.183 4.652 4.470 -0.002 0.000 0.271 1101 S C 1.295 175.867 174.600 -0.047 0.000 1.305 1101 S CA 0.083 58.300 58.200 0.028 0.000 1.022 1101 S CB 1.620 64.855 63.200 0.059 0.000 0.940 1101 S HN 1.000 nan 8.310 nan 0.000 0.525 1102 V N 1.248 121.095 119.914 -0.111 0.000 3.061 1102 V HA -0.207 3.912 4.120 -0.002 0.000 0.269 1102 V C 0.779 176.856 176.094 -0.028 0.000 1.154 1102 V CA 1.862 64.081 62.300 -0.136 0.000 1.168 1102 V CB -1.033 30.736 31.823 -0.090 0.000 0.758 1102 V HN 0.766 nan 8.190 nan 0.000 0.530 1103 E N 0.877 121.100 120.200 0.038 0.000 2.799 1103 E HA 0.227 4.575 4.350 -0.002 0.000 0.298 1103 E C 0.446 177.112 176.600 0.109 0.000 0.805 1103 E CA 0.095 56.535 56.400 0.067 0.000 1.265 1103 E CB -0.458 29.280 29.700 0.064 0.000 2.052 1103 E HN 0.740 nan 8.360 nan 0.000 0.541 1104 Q N 1.647 121.511 119.800 0.107 0.000 2.394 1104 Q HA -0.052 4.287 4.340 -0.002 0.000 0.347 1104 Q C -0.372 175.703 176.000 0.125 0.000 1.144 1104 Q CA 0.480 56.339 55.803 0.093 0.000 1.050 1104 Q CB -0.041 28.746 28.738 0.081 0.000 1.188 1104 Q HN 0.213 nan 8.270 nan 0.000 0.406 1105 L N 3.345 124.553 121.223 -0.025 0.000 2.473 1105 L HA 0.218 4.557 4.340 -0.002 0.000 0.268 1105 L C -1.797 174.834 176.870 -0.399 0.000 1.215 1105 L CA -2.124 52.557 54.840 -0.265 0.000 0.823 1105 L CB 0.240 41.972 42.059 -0.545 0.000 1.099 1105 L HN 0.631 nan 8.230 nan 0.000 0.483 1106 P HA -0.169 nan 4.420 nan 0.000 0.255 1106 P C 0.005 177.166 177.300 -0.232 0.000 1.141 1106 P CA 0.532 63.138 63.100 -0.824 0.000 0.767 1106 P CB 0.432 31.585 31.700 -0.912 0.000 0.726 1107 A N 5.561 128.340 122.820 -0.068 0.000 1.912 1107 A HA -0.214 4.105 4.320 -0.002 0.000 0.217 1107 A C 0.962 178.565 177.584 0.031 0.000 1.309 1107 A CA 1.727 53.770 52.037 0.009 0.000 0.726 1107 A CB -0.755 18.267 19.000 0.037 0.000 0.840 1107 A HN 0.620 nan 8.150 nan 0.000 0.473 1108 E N -0.304 119.930 120.200 0.058 0.000 2.267 1108 E HA 0.371 4.720 4.350 -0.002 0.000 0.241 1108 E C -2.598 174.045 176.600 0.071 0.000 0.950 1108 E CA -1.897 54.540 56.400 0.061 0.000 0.776 1108 E CB 0.908 30.640 29.700 0.054 0.000 1.207 1108 E HN 0.195 nan 8.360 nan 0.000 0.436 1109 P HA -0.309 nan 4.420 nan 0.000 0.219 1109 P C 1.421 178.716 177.300 -0.009 0.000 1.158 1109 P CA 2.542 65.661 63.100 0.032 0.000 0.895 1109 P CB 0.046 31.751 31.700 0.009 0.000 0.792 1110 K N 0.470 120.865 120.400 -0.009 0.000 2.207 1110 K HA -0.270 4.049 4.320 -0.002 0.000 0.208 1110 K C 1.777 178.374 176.600 -0.005 0.000 1.046 1110 K CA 2.259 58.534 56.287 -0.020 0.000 0.929 1110 K CB -0.735 31.760 32.500 -0.008 0.000 0.720 1110 K HN 0.380 nan 8.250 nan 0.000 0.463 1111 E N 0.480 120.701 120.200 0.036 0.000 2.307 1111 E HA -0.061 4.288 4.350 -0.002 0.000 0.195 1111 E C 2.202 178.822 176.600 0.035 0.000 0.975 1111 E CA -0.113 56.332 56.400 0.075 0.000 0.878 1111 E CB -0.190 29.600 29.700 0.150 0.000 0.845 1111 E HN 0.175 nan 8.360 nan 0.000 0.488 1112 L N 1.781 122.990 121.223 -0.024 0.000 2.079 1112 L HA -0.156 4.183 4.340 -0.002 0.000 0.210 1112 L C 2.138 178.923 176.870 -0.143 0.000 1.081 1112 L CA 1.455 56.166 54.840 -0.215 0.000 0.752 1112 L CB -0.716 41.246 42.059 -0.161 0.000 0.896 1112 L HN 0.233 nan 8.230 nan 0.000 0.433 1113 I N -0.246 120.264 120.570 -0.099 0.000 2.127 1113 I HA -0.210 3.959 4.170 -0.002 0.000 0.241 1113 I C 1.686 177.749 176.117 -0.090 0.000 1.075 1113 I CA 0.543 61.777 61.300 -0.111 0.000 1.334 1113 I CB -1.173 36.761 38.000 -0.110 0.000 1.040 1113 I HN 0.213 nan 8.210 nan 0.000 0.405 1117 Q N 1.140 120.850 119.800 -0.150 0.000 2.008 1117 Q HA -0.070 4.269 4.340 -0.002 0.000 0.196 1117 Q C 2.321 178.231 176.000 -0.150 0.000 0.973 1117 Q CA 2.046 57.771 55.803 -0.129 0.000 0.826 1117 Q CB 0.166 28.848 28.738 -0.093 0.000 0.894 1117 Q HN 0.423 nan 8.270 nan 0.000 0.439 1118 V N 0.700 120.517 119.914 -0.162 0.000 2.392 1118 V HA -0.208 3.911 4.120 -0.002 0.000 0.249 1118 V C 2.224 178.098 176.094 -0.366 0.000 1.059 1118 V CA 1.553 63.739 62.300 -0.189 0.000 1.051 1118 V CB -0.368 31.380 31.823 -0.126 0.000 0.658 1118 V HN 0.136 nan 8.190 nan 0.000 0.455 1119 V N 0.143 119.742 119.914 -0.526 0.000 2.237 1119 V HA -0.289 3.830 4.120 -0.002 0.000 0.245 1119 V C 2.560 178.459 176.094 -0.326 0.000 1.046 1119 V CA 2.660 64.580 62.300 -0.633 0.000 1.007 1119 V CB -0.912 30.630 31.823 -0.468 0.000 0.638 1119 V HN 0.584 nan 8.190 nan 0.000 0.445 1120 K N 0.186 120.452 120.400 -0.222 0.000 2.127 1120 K HA -0.298 4.021 4.320 -0.002 0.000 0.208 1120 K C 2.262 178.784 176.600 -0.130 0.000 1.047 1120 K CA 2.202 58.401 56.287 -0.146 0.000 0.927 1120 K CB -0.178 32.252 32.500 -0.118 0.000 0.716 1120 K HN 0.780 nan 8.250 nan 0.000 0.450 1121 Q N -0.483 119.234 119.800 -0.138 0.000 2.436 1121 Q HA -0.122 4.216 4.340 -0.002 0.000 0.209 1121 Q C 1.506 177.430 176.000 -0.127 0.000 0.965 1121 Q CA 1.164 56.902 55.803 -0.108 0.000 0.910 1121 Q CB 0.179 28.866 28.738 -0.084 0.000 0.980 1121 Q HN -0.043 nan 8.270 nan 0.000 0.491 1122 K N 0.389 120.681 120.400 -0.181 0.000 2.323 1122 K HA 0.240 4.558 4.320 -0.002 0.000 0.197 1122 K C 0.095 176.568 176.600 -0.213 0.000 1.043 1122 K CA 0.149 56.286 56.287 -0.250 0.000 0.997 1122 K CB 0.306 32.582 32.500 -0.374 0.000 0.807 1122 K HN 0.216 nan 8.250 nan 0.000 0.497 1123 L N 1.458 122.590 121.223 -0.151 0.000 2.439 1123 L HA 0.318 4.657 4.340 -0.002 0.000 0.261 1123 L C -1.760 175.062 176.870 -0.080 0.000 1.153 1123 L CA -2.204 52.576 54.840 -0.101 0.000 0.808 1123 L CB 0.143 42.155 42.059 -0.079 0.000 1.126 1123 L HN -0.041 nan 8.230 nan 0.000 0.460 1124 P HA 0.066 nan 4.420 nan 0.000 0.336 1124 P C -0.604 176.662 177.300 -0.055 0.000 1.435 1124 P CA -0.117 62.953 63.100 -0.050 0.000 0.860 1124 P CB 0.230 31.909 31.700 -0.034 0.000 2.095 1125 Q N -2.641 117.123 119.800 -0.061 0.000 2.815 1125 Q HA 0.054 4.393 4.340 -0.002 0.000 0.162 1125 Q C -0.154 175.778 176.000 -0.114 0.000 0.538 1125 Q CA 0.102 55.853 55.803 -0.087 0.000 1.057 1125 Q CB -0.948 27.739 28.738 -0.086 0.000 1.463 1125 Q HN 0.061 nan 8.270 nan 0.000 0.332 1126 K N 0.138 120.485 120.400 -0.088 0.000 2.308 1126 K HA 0.306 4.625 4.320 -0.002 0.000 0.197 1126 K C 0.278 176.818 176.600 -0.101 0.000 1.049 1126 K CA 0.351 56.586 56.287 -0.088 0.000 0.991 1126 K CB 0.281 32.751 32.500 -0.050 0.000 0.836 1126 K HN 0.437 nan 8.250 nan 0.000 0.500 1136 K N 1.293 121.697 120.400 0.007 0.000 2.989 1136 K HA 0.113 4.432 4.320 -0.002 0.000 0.264 1136 K C 0.116 176.677 176.600 -0.065 0.000 1.228 1136 K CA 0.523 56.831 56.287 0.034 0.000 1.186 1136 K CB -0.129 32.460 32.500 0.148 0.000 1.409 1136 K HN 0.396 nan 8.250 nan 0.000 0.271 1137 S N 0.056 115.575 115.700 -0.302 0.000 3.681 1137 S HA 0.017 4.485 4.470 -0.002 0.000 0.203 1137 S C 0.392 174.843 174.600 -0.249 0.000 1.408 1137 S CA -0.954 57.046 58.200 -0.334 0.000 0.942 1137 S CB -0.181 62.675 63.200 -0.573 0.000 1.437 1137 S HN 0.362 nan 8.310 nan 0.000 0.482 1138 T N 0.774 115.207 114.554 -0.201 0.000 2.784 1138 T HA 0.243 4.592 4.350 -0.002 0.000 0.291 1138 T C -1.889 172.709 174.700 -0.171 0.000 0.942 1138 T CA -1.103 60.881 62.100 -0.192 0.000 1.161 1138 T CB 0.568 69.260 68.868 -0.293 0.000 0.885 1138 T HN 0.193 nan 8.240 nan 0.000 0.534 1139 P HA 0.126 nan 4.420 nan 0.000 0.220 1139 P C 0.284 177.530 177.300 -0.090 0.000 1.152 1139 P CA 0.123 63.167 63.100 -0.095 0.000 0.812 1139 P CB 0.165 31.827 31.700 -0.063 0.000 0.792 1140 L N -0.766 120.402 121.223 -0.092 0.000 2.344 1140 L HA 0.578 4.917 4.340 -0.002 0.000 0.272 1140 L C -0.962 175.841 176.870 -0.111 0.000 1.035 1140 L CA -0.664 54.132 54.840 -0.073 0.000 0.807 1140 L CB 1.285 43.324 42.059 -0.034 0.000 1.237 1140 L HN -0.229 nan 8.230 nan 0.000 0.442 1141 L N 4.970 126.136 121.223 -0.094 0.000 2.505 1141 L HA 0.581 4.920 4.340 -0.002 0.000 0.266 1141 L C -1.587 175.244 176.870 -0.066 0.000 0.954 1141 L CA -0.284 54.483 54.840 -0.123 0.000 0.852 1141 L CB 1.642 43.578 42.059 -0.205 0.000 1.282 1141 L HN 0.615 nan 8.230 nan 0.000 0.403 1142 I N 3.431 123.976 120.570 -0.042 0.000 2.530 1142 I HA 0.513 4.682 4.170 -0.002 0.000 0.297 1142 I C -1.069 175.046 176.117 -0.002 0.000 1.011 1142 I CA -0.620 60.642 61.300 -0.062 0.000 1.107 1142 I CB 1.975 39.975 38.000 -0.000 0.000 1.285 1142 I HN 0.666 nan 8.210 nan 0.000 0.436 1143 H N 3.630 122.655 119.070 -0.076 0.000 3.046 1143 H HA 0.780 5.335 4.556 -0.002 0.000 0.363 1143 H C -1.087 174.182 175.328 -0.098 0.000 1.203 1143 H CA -1.156 54.850 56.048 -0.070 0.000 1.169 1143 H CB 1.390 31.129 29.762 -0.039 0.000 1.851 1143 H HN 0.851 nan 8.280 nan 0.000 0.546 1144 C N 1.123 120.482 119.300 0.097 0.000 3.321 1144 C HA 0.584 5.043 4.460 -0.002 0.000 0.363 1144 C C 1.715 176.716 174.990 0.019 0.000 1.705 1144 C CA -0.953 58.068 59.018 0.004 0.000 1.298 1144 C CB 1.318 28.962 27.740 -0.162 0.000 2.086 1144 C HN 1.077 nan 8.230 nan 0.000 0.438 1145 R N 1.402 121.881 120.500 -0.035 0.000 2.179 1145 R HA -0.210 4.129 4.340 -0.002 0.000 0.238 1145 R C 1.227 177.498 176.300 -0.050 0.000 1.119 1145 R CA 2.908 58.982 56.100 -0.044 0.000 0.915 1145 R CB -0.714 29.555 30.300 -0.052 0.000 0.870 1145 R HN 0.960 nan 8.270 nan 0.000 0.432 1146 D N -2.080 118.294 120.400 -0.045 0.000 2.349 1146 D HA 0.142 4.781 4.640 -0.002 0.000 0.214 1146 D C 0.836 177.117 176.300 -0.032 0.000 1.063 1146 D CA 0.516 54.493 54.000 -0.039 0.000 0.847 1146 D CB 0.525 41.306 40.800 -0.031 0.000 0.933 1146 D HN 0.446 nan 8.370 nan 0.000 0.513 1147 G N -0.508 108.277 108.800 -0.025 0.000 2.221 1147 G HA2 -0.298 3.660 3.960 -0.002 0.000 0.265 1147 G HA3 -0.298 3.660 3.960 -0.002 0.000 0.265 1147 G C 0.795 175.689 174.900 -0.010 0.000 1.041 1147 G CA 0.596 45.690 45.100 -0.010 0.000 0.807 1147 G HN 0.394 nan 8.290 nan 0.000 0.502 1148 S N -1.740 113.952 115.700 -0.014 0.000 3.050 1148 S HA 0.085 4.553 4.470 -0.002 0.000 0.261 1148 S C 1.562 176.166 174.600 0.006 0.000 1.057 1148 S CA 0.908 59.109 58.200 0.002 0.000 1.012 1148 S CB -0.212 62.988 63.200 -0.001 0.000 0.919 1148 S HN 0.386 nan 8.310 nan 0.000 0.429 1149 Q N 2.896 122.685 119.800 -0.018 0.000 1.991 1149 Q HA -0.251 4.087 4.340 -0.002 0.000 0.213 1149 Q C 1.686 177.670 176.000 -0.026 0.000 1.022 1149 Q CA 2.820 58.606 55.803 -0.029 0.000 0.877 1149 Q CB -0.376 28.320 28.738 -0.071 0.000 0.970 1149 Q HN 0.764 nan 8.270 nan 0.000 0.414 1150 Q N -3.197 116.534 119.800 -0.115 0.000 2.214 1150 Q HA 0.228 4.567 4.340 -0.002 0.000 0.229 1150 Q C 1.399 177.410 176.000 0.019 0.000 0.835 1150 Q CA 0.581 56.304 55.803 -0.133 0.000 0.953 1150 Q CB 0.352 28.575 28.738 -0.859 0.000 1.131 1150 Q HN 0.163 nan 8.270 nan 0.000 0.501 1151 T N 0.979 115.531 114.554 -0.003 0.000 2.995 1151 T HA -0.023 4.326 4.350 -0.002 0.000 0.269 1151 T C 1.728 176.520 174.700 0.154 0.000 1.091 1151 T CA 1.185 63.327 62.100 0.070 0.000 1.128 1151 T CB -0.056 68.823 68.868 0.019 0.000 0.891 1151 T HN 0.585 nan 8.240 nan 0.000 0.492 1152 G N 1.783 110.659 108.800 0.127 0.000 2.394 1152 G HA2 -0.086 3.872 3.960 -0.002 0.000 0.214 1152 G HA3 -0.086 3.872 3.960 -0.002 0.000 0.214 1152 G C 1.464 176.462 174.900 0.163 0.000 1.176 1152 G CA 0.152 45.322 45.100 0.115 0.000 0.786 1152 G HN 0.363 nan 8.290 nan 0.000 0.533 1153 I N 0.260 120.977 120.570 0.245 0.000 2.151 1153 I HA -0.154 4.015 4.170 -0.002 0.000 0.243 1153 I C 2.446 178.731 176.117 0.281 0.000 1.080 1153 I CA 1.133 62.609 61.300 0.293 0.000 1.339 1153 I CB -1.029 37.241 38.000 0.450 0.000 1.039 1153 I HN 0.104 nan 8.210 nan 0.000 0.409 1154 F N 1.668 121.738 119.950 0.201 0.000 2.046 1154 F HA -0.273 4.252 4.527 -0.002 0.000 0.297 1154 F C 2.884 178.706 175.800 0.035 0.000 1.123 1154 F CA 1.840 59.912 58.000 0.120 0.000 1.199 1154 F CB -0.660 38.417 39.000 0.129 0.000 0.972 1154 F HN 0.120 nan 8.300 nan 0.000 0.474 1155 C N 0.369 119.762 119.300 0.155 0.000 2.391 1155 C HA -0.225 4.234 4.460 -0.002 0.000 0.276 1155 C C 3.036 177.990 174.990 -0.060 0.000 1.217 1155 C CA 0.932 59.965 59.018 0.025 0.000 1.766 1155 C CB -2.022 25.750 27.740 0.053 0.000 2.046 1155 C HN 0.632 nan 8.230 nan 0.000 0.475 1156 A N 0.812 123.610 122.820 -0.037 0.000 1.829 1156 A HA -0.129 4.190 4.320 -0.002 0.000 0.216 1156 A C 2.134 179.626 177.584 -0.153 0.000 1.207 1156 A CA 1.688 53.676 52.037 -0.082 0.000 0.622 1156 A CB -0.994 17.972 19.000 -0.057 0.000 0.846 1156 A HN 0.540 nan 8.150 nan 0.000 0.447 1157 L N -0.623 120.495 121.223 -0.175 0.000 2.085 1157 L HA -0.304 4.035 4.340 -0.002 0.000 0.218 1157 L C 2.707 179.405 176.870 -0.286 0.000 1.080 1157 L CA 1.809 56.501 54.840 -0.247 0.000 0.776 1157 L CB -0.874 41.016 42.059 -0.283 0.000 0.891 1157 L HN 0.466 nan 8.230 nan 0.000 0.437 1158 L N -0.410 120.612 121.223 -0.336 0.000 1.971 1158 L HA -0.284 4.054 4.340 -0.002 0.000 0.215 1158 L C 2.425 179.169 176.870 -0.209 0.000 1.072 1158 L CA 1.713 56.375 54.840 -0.297 0.000 0.758 1158 L CB -0.612 41.289 42.059 -0.264 0.000 0.889 1158 L HN 0.435 nan 8.230 nan 0.000 0.433 1159 N N -0.020 118.580 118.700 -0.167 0.000 2.188 1159 N HA -0.121 4.618 4.740 -0.002 0.000 0.184 1159 N C 1.896 177.258 175.510 -0.247 0.000 1.018 1159 N CA 1.112 54.071 53.050 -0.152 0.000 0.858 1159 N CB -0.362 38.089 38.487 -0.060 0.000 0.989 1159 N HN 0.319 nan 8.380 nan 0.000 0.426 1160 L N 0.422 121.511 121.223 -0.225 0.000 2.191 1160 L HA -0.061 4.278 4.340 -0.002 0.000 0.212 1160 L C 2.076 178.785 176.870 -0.269 0.000 1.103 1160 L CA 0.674 55.364 54.840 -0.250 0.000 0.769 1160 L CB -0.356 41.558 42.059 -0.243 0.000 0.908 1160 L HN 0.109 nan 8.230 nan 0.000 0.438 1161 L N -0.932 120.149 121.223 -0.237 0.000 2.095 1161 L HA -0.076 4.263 4.340 -0.002 0.000 0.204 1161 L C 2.543 179.275 176.870 -0.229 0.000 1.080 1161 L CA 0.694 55.430 54.840 -0.173 0.000 0.759 1161 L CB -0.374 41.598 42.059 -0.146 0.000 0.914 1161 L HN 0.151 nan 8.230 nan 0.000 0.439 1162 E N -0.465 119.544 120.200 -0.318 0.000 2.409 1162 E HA -0.167 4.182 4.350 -0.002 0.000 0.198 1162 E C 2.168 178.262 176.600 -0.842 0.000 1.024 1162 E CA 0.971 57.127 56.400 -0.407 0.000 0.861 1162 E CB 0.169 29.684 29.700 -0.309 0.000 0.788 1162 E HN 0.298 nan 8.360 nan 0.000 0.521 1163 S N -0.549 114.608 115.700 -0.905 0.000 2.475 1163 S HA 0.134 4.602 4.470 -0.002 0.000 0.224 1163 S C 1.942 176.286 174.600 -0.427 0.000 1.042 1163 S CA 0.586 58.236 58.200 -0.918 0.000 0.935 1163 S CB 0.225 63.011 63.200 -0.690 0.000 0.801 1163 S HN 0.212 nan 8.310 nan 0.000 0.509 1164 A N 1.217 123.824 122.820 -0.354 0.000 2.121 1164 A HA 0.039 4.358 4.320 -0.002 0.000 0.218 1164 A C 2.061 179.528 177.584 -0.195 0.000 1.154 1164 A CA 1.147 52.985 52.037 -0.332 0.000 0.679 1164 A CB -0.306 18.431 19.000 -0.438 0.000 0.795 1164 A HN 0.520 nan 8.150 nan 0.000 0.458 1165 E N -0.682 119.437 120.200 -0.136 0.000 2.099 1165 E HA -0.069 4.279 4.350 -0.002 0.000 0.191 1165 E C 2.262 178.854 176.600 -0.014 0.000 0.962 1165 E CA 1.710 58.093 56.400 -0.029 0.000 0.826 1165 E CB -0.665 29.034 29.700 -0.002 0.000 0.788 1165 E HN 0.730 nan 8.360 nan 0.000 0.461 1166 T N -1.564 112.961 114.554 -0.047 0.000 3.085 1166 T HA 0.088 4.437 4.350 -0.002 0.000 0.263 1166 T C 1.201 175.927 174.700 0.043 0.000 1.127 1166 T CA 0.692 62.825 62.100 0.056 0.000 1.103 1166 T CB 0.077 69.034 68.868 0.149 0.000 0.921 1166 T HN 0.051 nan 8.240 nan 0.000 0.510 1167 E N 0.188 120.376 120.200 -0.019 0.000 2.703 1167 E HA 0.113 4.461 4.350 -0.002 0.000 0.214 1167 E C -0.223 176.363 176.600 -0.022 0.000 0.944 1167 E CA -0.150 56.259 56.400 0.016 0.000 1.299 1167 E CB 0.561 30.286 29.700 0.041 0.000 1.189 1167 E HN 0.520 nan 8.360 nan 0.000 0.597 1168 E N -0.103 120.053 120.200 -0.074 0.000 2.971 1168 E HA -0.226 4.123 4.350 -0.002 0.000 0.271 1168 E C -0.219 176.299 176.600 -0.136 0.000 1.053 1168 E CA 0.685 57.016 56.400 -0.115 0.000 0.817 1168 E CB -1.273 28.392 29.700 -0.058 0.000 1.410 1168 E HN 0.072 nan 8.360 nan 0.000 0.445 1169 V N 0.074 119.913 119.914 -0.125 0.000 2.960 1169 V HA 0.647 4.765 4.120 -0.002 0.000 0.315 1169 V C -0.634 175.371 176.094 -0.149 0.000 1.087 1169 V CA -0.703 61.533 62.300 -0.108 0.000 0.982 1169 V CB 2.413 34.217 31.823 -0.032 0.000 1.039 1169 V HN -0.022 nan 8.190 nan 0.000 0.437 1170 V N 3.603 123.435 119.914 -0.136 0.000 2.752 1170 V HA 0.426 4.545 4.120 -0.002 0.000 0.302 1170 V C -1.363 174.665 176.094 -0.109 0.000 1.133 1170 V CA -0.630 61.575 62.300 -0.157 0.000 0.919 1170 V CB 1.970 33.656 31.823 -0.229 0.000 1.026 1170 V HN 0.918 nan 8.190 nan 0.000 0.429 1171 D N 4.669 125.026 120.400 -0.071 0.000 2.458 1171 D HA 0.393 5.031 4.640 -0.002 0.000 0.258 1171 D C 0.927 177.197 176.300 -0.050 0.000 1.134 1171 D CA -0.270 53.724 54.000 -0.010 0.000 0.915 1171 D CB 1.128 41.974 40.800 0.077 0.000 1.028 1171 D HN 0.471 nan 8.370 nan 0.000 0.508 1172 I N 1.964 122.446 120.570 -0.146 0.000 2.315 1172 I HA -0.192 3.977 4.170 -0.002 0.000 0.248 1172 I C 2.010 178.098 176.117 -0.049 0.000 1.117 1172 I CA 0.615 61.759 61.300 -0.259 0.000 1.404 1172 I CB -0.208 37.367 38.000 -0.710 0.000 1.071 1172 I HN 0.304 nan 8.210 nan 0.000 0.419 1173 F N 1.869 121.838 119.950 0.031 0.000 2.026 1173 F HA -0.296 4.230 4.527 -0.002 0.000 0.296 1173 F C 2.789 178.598 175.800 0.015 0.000 1.133 1173 F CA 1.817 59.932 58.000 0.191 0.000 1.188 1173 F CB -0.319 38.803 39.000 0.203 0.000 0.968 1173 F HN -0.007 nan 8.300 nan 0.000 0.476 1174 Q N 0.200 120.092 119.800 0.153 0.000 2.152 1174 Q HA -0.173 4.166 4.340 -0.002 0.000 0.206 1174 Q C 2.480 178.410 176.000 -0.117 0.000 0.985 1174 Q CA 1.715 57.473 55.803 -0.076 0.000 0.863 1174 Q CB -0.962 27.659 28.738 -0.195 0.000 0.904 1174 Q HN 0.415 nan 8.270 nan 0.000 0.422 1175 V N 0.201 120.069 119.914 -0.077 0.000 2.343 1175 V HA -0.212 3.906 4.120 -0.002 0.000 0.247 1175 V C 2.424 178.449 176.094 -0.114 0.000 1.051 1175 V CA 1.509 63.758 62.300 -0.085 0.000 1.036 1175 V CB -0.519 31.248 31.823 -0.093 0.000 0.654 1175 V HN 0.116 nan 8.190 nan 0.000 0.451 1176 V N -0.104 119.736 119.914 -0.123 0.000 2.667 1176 V HA -0.202 3.917 4.120 -0.002 0.000 0.252 1176 V C 2.320 178.287 176.094 -0.212 0.000 1.065 1176 V CA 1.944 64.178 62.300 -0.109 0.000 1.083 1176 V CB -0.702 31.129 31.823 0.013 0.000 0.692 1176 V HN 0.571 nan 8.190 nan 0.000 0.468 1177 K N 0.779 120.990 120.400 -0.315 0.000 2.211 1177 K HA -0.086 4.232 4.320 -0.002 0.000 0.203 1177 K C 2.004 178.384 176.600 -0.367 0.000 1.050 1177 K CA 1.352 57.407 56.287 -0.387 0.000 0.945 1177 K CB -0.159 32.076 32.500 -0.441 0.000 0.732 1177 K HN 0.448 nan 8.250 nan 0.000 0.451 1178 A N 0.632 123.294 122.820 -0.263 0.000 2.030 1178 A HA 0.077 4.396 4.320 -0.002 0.000 0.215 1178 A C 1.904 179.339 177.584 -0.247 0.000 1.164 1178 A CA 0.381 52.275 52.037 -0.237 0.000 0.697 1178 A CB -0.162 18.764 19.000 -0.124 0.000 0.827 1178 A HN 0.249 nan 8.150 nan 0.000 0.457 1179 L N -1.445 119.655 121.223 -0.205 0.000 2.049 1179 L HA -0.056 4.283 4.340 -0.002 0.000 0.203 1179 L C 2.662 179.405 176.870 -0.212 0.000 1.074 1179 L CA 1.140 55.891 54.840 -0.149 0.000 0.749 1179 L CB -0.345 41.663 42.059 -0.085 0.000 0.907 1179 L HN 0.222 nan 8.230 nan 0.000 0.439 1180 R N 0.427 120.764 120.500 -0.273 0.000 2.154 1180 R HA -0.213 4.125 4.340 -0.002 0.000 0.248 1180 R C 2.166 178.104 176.300 -0.602 0.000 1.155 1180 R CA 1.454 57.364 56.100 -0.317 0.000 0.979 1180 R CB -0.254 29.864 30.300 -0.304 0.000 0.869 1180 R HN 0.175 nan 8.270 nan 0.000 0.452 1181 K N -1.258 118.603 120.400 -0.898 0.000 2.305 1181 K HA 0.056 4.375 4.320 -0.002 0.000 0.199 1181 K C 1.566 177.789 176.600 -0.630 0.000 1.047 1181 K CA 0.912 56.432 56.287 -1.278 0.000 0.976 1181 K CB 0.147 31.904 32.500 -1.239 0.000 0.765 1181 K HN 0.218 nan 8.250 nan 0.000 0.474 1182 A N 1.230 123.921 122.820 -0.215 0.000 1.903 1182 A HA -0.001 4.318 4.320 -0.002 0.000 0.213 1182 A C 1.008 178.746 177.584 0.256 0.000 1.185 1182 A CA 0.521 52.597 52.037 0.066 0.000 0.628 1182 A CB 0.066 19.072 19.000 0.011 0.000 0.830 1182 A HN 0.294 nan 8.150 nan 0.000 0.446 1183 R N -1.036 119.562 120.500 0.164 0.000 2.680 1183 R HA 0.484 4.823 4.340 -0.002 0.000 0.269 1183 R C -1.804 174.515 176.300 0.032 0.000 1.026 1183 R CA -0.760 55.381 56.100 0.068 0.000 0.889 1183 R CB 0.732 31.024 30.300 -0.013 0.000 1.241 1183 R HN 0.168 nan 8.270 nan 0.000 0.463 1184 L N 2.787 123.953 121.223 -0.095 0.000 2.371 1184 L HA 0.577 4.916 4.340 -0.002 0.000 0.272 1184 L C 0.565 177.434 176.870 -0.002 0.000 1.124 1184 L CA 1.713 56.551 54.840 -0.003 0.000 0.816 1184 L CB 0.898 42.949 42.059 -0.013 0.000 1.129 1184 L HN 1.047 nan 8.230 nan 0.000 0.448 1188 S N -0.153 115.657 115.700 0.182 0.000 2.851 1188 S HA 0.237 4.706 4.470 -0.002 0.000 0.227 1188 S C 0.758 175.548 174.600 0.318 0.000 0.958 1188 S CA 0.520 58.870 58.200 0.250 0.000 0.990 1188 S CB -0.254 63.044 63.200 0.164 0.000 0.790 1188 S HN 1.115 nan 8.310 nan 0.000 0.509 1189 T N -2.507 112.163 114.554 0.193 0.000 2.933 1189 T HA 0.529 4.877 4.350 -0.002 0.000 0.305 1189 T C 0.105 174.545 174.700 -0.433 0.000 1.092 1189 T CA -0.925 61.211 62.100 0.059 0.000 1.008 1189 T CB 0.946 69.852 68.868 0.063 0.000 1.102 1189 T HN 0.020 nan 8.240 nan 0.000 0.469 1190 F N 2.116 121.613 119.950 -0.754 0.000 2.202 1190 F HA 0.013 4.538 4.527 -0.002 0.000 0.301 1190 F C 1.911 177.533 175.800 -0.296 0.000 1.082 1190 F CA 1.706 59.156 58.000 -0.918 0.000 1.313 1190 F CB -0.144 38.612 39.000 -0.406 0.000 1.024 1190 F HN 0.718 nan 8.300 nan 0.000 0.495 1191 E N 0.555 120.705 120.200 -0.084 0.000 2.070 1191 E HA -0.263 4.086 4.350 -0.002 0.000 0.197 1191 E C 2.207 178.735 176.600 -0.119 0.000 1.004 1191 E CA 1.989 58.358 56.400 -0.052 0.000 0.805 1191 E CB -0.546 29.180 29.700 0.043 0.000 0.744 1191 E HN 0.585 nan 8.360 nan 0.000 0.451 1192 Q N -0.891 118.854 119.800 -0.092 0.000 2.020 1192 Q HA -0.187 4.152 4.340 -0.002 0.000 0.202 1192 Q C 2.088 178.089 176.000 0.002 0.000 0.982 1192 Q CA 1.494 57.295 55.803 -0.002 0.000 0.838 1192 Q CB -0.405 28.354 28.738 0.034 0.000 0.899 1192 Q HN 0.337 nan 8.270 nan 0.000 0.423 1193 Y N 1.846 121.983 120.300 -0.272 0.000 2.040 1193 Y HA -0.382 4.167 4.550 -0.002 0.000 0.275 1193 Y C 2.547 178.342 175.900 -0.175 0.000 1.171 1193 Y CA 2.370 60.328 58.100 -0.237 0.000 1.123 1193 Y CB -0.286 37.911 38.460 -0.438 0.000 0.963 1193 Y HN 0.140 nan 8.280 nan 0.000 0.493 1194 Q N -0.781 118.805 119.800 -0.356 0.000 2.181 1194 Q HA -0.248 4.091 4.340 -0.002 0.000 0.205 1194 Q C 2.297 178.259 176.000 -0.063 0.000 0.980 1194 Q CA 1.786 57.409 55.803 -0.300 0.000 0.862 1194 Q CB -0.593 27.746 28.738 -0.666 0.000 0.905 1194 Q HN 0.594 nan 8.270 nan 0.000 0.429 1195 F N 1.333 121.171 119.950 -0.186 0.000 2.065 1195 F HA -0.286 4.240 4.527 -0.002 0.000 0.298 1195 F C 1.853 177.582 175.800 -0.117 0.000 1.112 1195 F CA 1.632 59.559 58.000 -0.122 0.000 1.212 1195 F CB -0.562 38.372 39.000 -0.111 0.000 0.975 1195 F HN 0.054 nan 8.300 nan 0.000 0.476 1196 L N -1.062 120.033 121.223 -0.214 0.000 1.978 1196 L HA -0.345 3.994 4.340 -0.002 0.000 0.218 1196 L C 2.470 179.114 176.870 -0.377 0.000 1.075 1196 L CA 2.085 56.704 54.840 -0.369 0.000 0.767 1196 L CB -1.386 40.458 42.059 -0.359 0.000 0.890 1196 L HN 0.154 nan 8.230 nan 0.000 0.434 1197 Y N 0.607 120.725 120.300 -0.303 0.000 2.069 1197 Y HA -0.352 4.196 4.550 -0.002 0.000 0.278 1197 Y C 2.576 178.364 175.900 -0.187 0.000 1.175 1197 Y CA 1.870 59.850 58.100 -0.200 0.000 1.134 1197 Y CB -0.560 37.811 38.460 -0.148 0.000 0.965 1197 Y HN 0.289 nan 8.280 nan 0.000 0.498 1198 D N -0.463 119.904 120.400 -0.054 0.000 2.120 1198 D HA -0.216 4.423 4.640 -0.002 0.000 0.191 1198 D C 2.424 178.601 176.300 -0.204 0.000 0.994 1198 D CA 2.326 56.254 54.000 -0.120 0.000 0.838 1198 D CB -1.132 39.591 40.800 -0.128 0.000 0.976 1198 D HN 0.320 nan 8.370 nan 0.000 0.447 1199 V N -0.049 119.609 119.914 -0.426 0.000 2.324 1199 V HA -0.231 3.887 4.120 -0.002 0.000 0.250 1199 V C 2.396 178.371 176.094 -0.199 0.000 1.060 1199 V CA 1.322 63.389 62.300 -0.388 0.000 1.042 1199 V CB -0.789 30.646 31.823 -0.646 0.000 0.650 1199 V HN 0.106 nan 8.190 nan 0.000 0.450 1200 I N 1.151 121.605 120.570 -0.193 0.000 2.335 1200 I HA -0.182 3.987 4.170 -0.002 0.000 0.251 1200 I C 2.754 178.925 176.117 0.091 0.000 1.129 1200 I CA 1.972 63.232 61.300 -0.066 0.000 1.402 1200 I CB -1.495 36.403 38.000 -0.171 0.000 1.069 1200 I HN 0.494 nan 8.210 nan 0.000 0.424 1201 A N 0.835 123.697 122.820 0.070 0.000 1.861 1201 A HA -0.119 4.200 4.320 -0.002 0.000 0.212 1201 A C 2.456 180.211 177.584 0.285 0.000 1.199 1201 A CA 1.522 53.694 52.037 0.226 0.000 0.613 1201 A CB -0.767 18.314 19.000 0.135 0.000 0.846 1201 A HN 0.493 nan 8.150 nan 0.000 0.446 1202 S N 0.413 116.159 115.700 0.075 0.000 2.419 1202 S HA -0.138 4.331 4.470 -0.002 0.000 0.235 1202 S C 1.471 176.100 174.600 0.048 0.000 1.019 1202 S CA 1.658 59.885 58.200 0.045 0.000 0.982 1202 S CB -1.302 61.878 63.200 -0.034 0.000 0.789 1202 S HN 0.771 nan 8.310 nan 0.000 0.490 1203 T N -1.721 112.848 114.554 0.026 0.000 3.330 1203 T HA 0.383 4.731 4.350 -0.002 0.000 0.249 1203 T C -0.519 174.013 174.700 -0.281 0.000 0.980 1203 T CA -0.553 61.474 62.100 -0.123 0.000 0.920 1203 T CB -0.946 67.806 68.868 -0.194 0.000 1.065 1203 T HN 0.448 nan 8.240 nan 0.000 0.588 1204 Y N -0.387 119.916 120.300 0.004 0.000 2.462 1204 Y HA 0.318 4.867 4.550 -0.002 0.000 0.316 1204 Y C -2.735 173.098 175.900 -0.112 0.000 1.163 1204 Y CA -1.936 56.137 58.100 -0.045 0.000 1.421 1204 Y CB 0.626 39.045 38.460 -0.068 0.000 1.149 1204 Y HN 0.197 nan 8.280 nan 0.000 0.513 1205 P HA 0.000 nan 4.420 nan 0.000 0.216 1205 P CA 0.000 63.069 63.100 -0.052 0.000 0.800 1205 P CB 0.000 31.714 31.700 0.023 0.000 0.726