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 1ygu_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 XXXXXXXXXT 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 0.000 176.699 176.600 0.165 0.000 1.382 599 E CA 0.000 56.511 56.400 0.185 0.000 0.976 599 E CB 0.000 29.753 29.700 0.088 0.000 0.812 600 K N -0.276 120.228 120.400 0.174 0.000 2.152 600 K HA 0.342 4.660 4.320 -0.002 0.000 0.257 600 K C -1.214 175.432 176.600 0.077 0.000 0.961 600 K CA -1.076 55.259 56.287 0.081 0.000 0.816 600 K CB 0.981 33.493 32.500 0.021 0.000 1.501 600 K HN 0.370 nan 8.250 nan 0.000 0.417 601 Q N 2.520 122.347 119.800 0.046 0.000 2.390 601 Q HA 0.277 4.616 4.340 -0.002 0.000 0.249 601 Q C -1.003 175.036 176.000 0.065 0.000 0.996 601 Q CA -0.468 55.367 55.803 0.053 0.000 0.899 601 Q CB 0.294 29.051 28.738 0.032 0.000 1.216 601 Q HN 0.459 nan 8.270 nan 0.000 0.465 605 V N 0.458 120.291 119.914 -0.135 0.000 2.583 605 V HA 0.451 4.570 4.120 -0.002 0.000 0.287 605 V C 0.523 176.631 176.094 0.024 0.000 1.051 605 V CA -0.317 61.920 62.300 -0.105 0.000 1.010 605 V CB 1.435 33.149 31.823 -0.182 0.000 0.988 605 V HN 0.530 nan 8.190 nan 0.000 0.478 606 E N 5.516 125.721 120.200 0.008 0.000 2.299 606 E HA 0.298 4.647 4.350 -0.002 0.000 0.272 606 E C -2.356 174.277 176.600 0.056 0.000 1.043 606 E CA -1.811 54.600 56.400 0.018 0.000 0.895 606 E CB 0.718 30.398 29.700 -0.032 0.000 1.011 606 E HN 0.683 nan 8.360 nan 0.000 0.432 607 P HA -0.010 nan 4.420 nan 0.000 0.264 607 P C -0.880 176.509 177.300 0.148 0.000 1.236 607 P CA 0.006 63.204 63.100 0.163 0.000 0.811 607 P CB 0.110 31.930 31.700 0.200 0.000 0.840 608 I N 3.696 124.354 120.570 0.148 0.000 2.752 608 I HA -0.060 4.109 4.170 -0.002 0.000 0.289 608 I C 1.224 177.488 176.117 0.246 0.000 1.197 608 I CA 0.707 62.083 61.300 0.126 0.000 1.432 608 I CB -0.368 37.718 38.000 0.143 0.000 1.359 608 I HN 0.387 nan 8.210 nan 0.000 0.571 609 H N 4.696 123.794 119.070 0.048 0.000 2.467 609 H HA 0.421 4.976 4.556 -0.002 0.000 0.331 609 H C 1.093 176.435 175.328 0.022 0.000 1.120 609 H CA -0.428 55.640 56.048 0.032 0.000 1.270 609 H CB 1.277 31.054 29.762 0.025 0.000 1.466 609 H HN 0.817 nan 8.280 nan 0.000 0.504 610 A N 3.470 126.363 122.820 0.123 0.000 1.901 610 A HA -0.420 3.898 4.320 -0.002 0.000 0.227 610 A C 1.919 179.533 177.584 0.050 0.000 1.551 610 A CA 2.745 54.815 52.037 0.055 0.000 0.769 610 A CB -1.143 17.866 19.000 0.014 0.000 0.845 610 A HN 1.013 nan 8.150 nan 0.000 0.481 611 D N 0.696 121.122 120.400 0.043 0.000 2.355 611 D HA -0.311 4.328 4.640 -0.002 0.000 0.192 611 D C 1.646 177.963 176.300 0.029 0.000 1.014 611 D CA 2.397 56.412 54.000 0.026 0.000 0.862 611 D CB -1.163 39.657 40.800 0.033 0.000 0.986 611 D HN 0.912 nan 8.370 nan 0.000 0.456 612 I N -1.913 118.683 120.570 0.044 0.000 2.850 612 I HA -0.095 4.073 4.170 -0.002 0.000 0.266 612 I C 2.064 178.207 176.117 0.043 0.000 1.257 612 I CA 0.515 61.832 61.300 0.027 0.000 1.465 612 I CB -0.208 37.794 38.000 0.003 0.000 1.091 612 I HN 0.039 nan 8.210 nan 0.000 0.467 613 L N 1.030 122.290 121.223 0.062 0.000 1.997 613 L HA -0.246 4.093 4.340 -0.002 0.000 0.216 613 L C 2.358 179.296 176.870 0.113 0.000 1.074 613 L CA 1.945 56.839 54.840 0.091 0.000 0.763 613 L CB -0.920 41.182 42.059 0.072 0.000 0.890 613 L HN 0.360 nan 8.230 nan 0.000 0.434 614 L N -0.521 120.742 121.223 0.066 0.000 1.997 614 L HA -0.272 4.067 4.340 -0.002 0.000 0.216 614 L C 2.532 179.482 176.870 0.133 0.000 1.074 614 L CA 2.307 57.194 54.840 0.079 0.000 0.763 614 L CB -1.087 40.978 42.059 0.010 0.000 0.890 614 L HN 0.443 nan 8.230 nan 0.000 0.434 615 E N -1.467 118.776 120.200 0.072 0.000 2.086 615 E HA -0.078 4.271 4.350 -0.002 0.000 0.190 615 E C 1.955 178.566 176.600 0.019 0.000 0.975 615 E CA 1.223 57.647 56.400 0.041 0.000 0.813 615 E CB -0.551 29.153 29.700 0.007 0.000 0.768 615 E HN 0.358 nan 8.360 nan 0.000 0.457 616 T N 0.927 115.496 114.554 0.025 0.000 2.620 616 T HA -0.288 4.061 4.350 -0.002 0.000 0.267 616 T C 1.526 176.200 174.700 -0.042 0.000 1.044 616 T CA 1.858 63.948 62.100 -0.016 0.000 1.161 616 T CB -0.639 68.241 68.868 0.021 0.000 0.862 616 T HN 0.233 nan 8.240 nan 0.000 0.438 617 Y N 2.385 122.672 120.300 -0.021 0.000 2.053 617 Y HA -0.226 4.323 4.550 -0.002 0.000 0.277 617 Y C 2.434 178.322 175.900 -0.020 0.000 1.159 617 Y CA 1.626 59.740 58.100 0.024 0.000 1.125 617 Y CB -0.381 38.139 38.460 0.100 0.000 0.969 617 Y HN -0.098 nan 8.280 nan 0.000 0.492 618 K N 0.630 120.956 120.400 -0.123 0.000 2.077 618 K HA -0.268 4.050 4.320 -0.002 0.000 0.213 618 K C 2.273 178.737 176.600 -0.228 0.000 1.051 618 K CA 2.434 58.625 56.287 -0.159 0.000 0.929 618 K CB -0.521 31.970 32.500 -0.016 0.000 0.715 618 K HN 0.665 nan 8.250 nan 0.000 0.451 619 R N 0.166 120.543 120.500 -0.204 0.000 2.093 619 R HA 0.019 4.358 4.340 -0.002 0.000 0.224 619 R C 1.848 177.958 176.300 -0.317 0.000 1.101 619 R CA 0.715 56.692 56.100 -0.206 0.000 0.979 619 R CB -0.210 29.998 30.300 -0.153 0.000 0.877 619 R HN -0.114 nan 8.270 nan 0.000 0.441 620 K N 1.496 121.613 120.400 -0.472 0.000 2.211 620 K HA -0.104 4.214 4.320 -0.002 0.000 0.204 620 K C 2.118 178.223 176.600 -0.825 0.000 1.047 620 K CA 1.637 57.433 56.287 -0.817 0.000 0.935 620 K CB -0.176 31.549 32.500 -1.292 0.000 0.728 620 K HN 0.555 nan 8.250 nan 0.000 0.452 621 I N -1.305 118.931 120.570 -0.557 0.000 3.030 621 I HA 0.120 4.289 4.170 -0.002 0.000 0.270 621 I C 1.056 177.085 176.117 -0.146 0.000 1.211 621 I CA -0.291 60.860 61.300 -0.248 0.000 1.479 621 I CB -0.531 37.292 38.000 -0.295 0.000 1.105 621 I HN -0.225 nan 8.210 nan 0.000 0.447 622 A N 3.143 125.860 122.820 -0.172 0.000 2.615 622 A HA -0.075 4.244 4.320 -0.002 0.000 0.230 622 A C 0.668 178.211 177.584 -0.067 0.000 1.062 622 A CA 0.701 52.676 52.037 -0.105 0.000 0.758 622 A CB -0.599 18.336 19.000 -0.107 0.000 0.995 622 A HN 0.884 nan 8.150 nan 0.000 0.511 623 D N -0.288 120.087 120.400 -0.042 0.000 2.735 623 D HA -0.189 4.449 4.640 -0.002 0.000 0.235 623 D C 0.155 176.452 176.300 -0.006 0.000 1.175 623 D CA 1.246 55.232 54.000 -0.023 0.000 0.683 623 D CB -1.406 39.379 40.800 -0.025 0.000 1.008 623 D HN 0.855 nan 8.370 nan 0.000 0.416 624 E N -0.693 119.509 120.200 0.003 0.000 2.389 624 E HA -0.201 4.147 4.350 -0.002 0.000 0.243 624 E C 1.089 177.722 176.600 0.054 0.000 1.154 624 E CA 1.331 57.748 56.400 0.027 0.000 0.723 624 E CB -1.660 28.057 29.700 0.027 0.000 1.261 624 E HN 1.636 nan 8.360 nan 0.000 0.390 625 G N 1.248 110.074 108.800 0.044 0.000 2.385 625 G HA2 -0.374 3.585 3.960 -0.002 0.000 0.284 625 G HA3 -0.374 3.585 3.960 -0.002 0.000 0.284 625 G C 1.020 175.988 174.900 0.113 0.000 0.899 625 G CA 0.906 46.054 45.100 0.081 0.000 1.204 625 G HN 0.487 nan 8.290 nan 0.000 0.486 626 R N -0.325 120.204 120.500 0.047 0.000 2.189 626 R HA -0.051 4.287 4.340 -0.002 0.000 0.218 626 R C -0.134 176.200 176.300 0.058 0.000 1.074 626 R CA 1.201 57.337 56.100 0.061 0.000 0.991 626 R CB -0.359 29.959 30.300 0.030 0.000 0.883 626 R HN 0.438 nan 8.270 nan 0.000 0.457 627 P HA -0.137 nan 4.420 nan 0.000 0.213 627 P C 0.841 178.194 177.300 0.088 0.000 1.170 627 P CA 1.166 64.233 63.100 -0.056 0.000 0.893 627 P CB -0.047 31.511 31.700 -0.238 0.000 0.784 628 F N -0.603 119.401 119.950 0.090 0.000 2.065 628 F HA -0.197 4.328 4.527 -0.002 0.000 0.298 628 F C 2.385 178.337 175.800 0.254 0.000 1.112 628 F CA 0.944 59.080 58.000 0.227 0.000 1.212 628 F CB -1.589 37.527 39.000 0.193 0.000 0.975 628 F HN -0.154 nan 8.300 nan 0.000 0.476 629 L N -0.228 121.220 121.223 0.376 0.000 2.021 629 L HA -0.289 4.050 4.340 -0.002 0.000 0.215 629 L C 2.448 179.463 176.870 0.242 0.000 1.074 629 L CA 2.342 57.345 54.840 0.273 0.000 0.760 629 L CB -1.571 40.595 42.059 0.179 0.000 0.889 629 L HN 0.219 nan 8.230 nan 0.000 0.433 630 A N -0.992 121.937 122.820 0.182 0.000 1.874 630 A HA -0.221 4.098 4.320 -0.002 0.000 0.214 630 A C 2.222 179.891 177.584 0.141 0.000 1.189 630 A CA 1.278 53.388 52.037 0.122 0.000 0.615 630 A CB -0.526 18.518 19.000 0.073 0.000 0.830 630 A HN 0.505 nan 8.150 nan 0.000 0.443 631 E N -1.329 118.994 120.200 0.205 0.000 2.130 631 E HA -0.244 4.105 4.350 -0.002 0.000 0.196 631 E C 1.655 178.445 176.600 0.317 0.000 0.998 631 E CA 1.672 58.237 56.400 0.276 0.000 0.806 631 E CB -0.239 29.727 29.700 0.442 0.000 0.738 631 E HN 0.629 nan 8.360 nan 0.000 0.459 632 F N 0.900 120.807 119.950 -0.071 0.000 2.270 632 F HA 0.054 4.580 4.527 -0.002 0.000 0.295 632 F C 2.085 177.794 175.800 -0.151 0.000 1.087 632 F CA 0.898 58.642 58.000 -0.427 0.000 1.365 632 F CB 0.069 38.693 39.000 -0.627 0.000 1.056 632 F HN -0.066 nan 8.300 nan 0.000 0.506 633 Q N -0.159 119.587 119.800 -0.091 0.000 2.436 633 Q HA -0.104 4.235 4.340 -0.002 0.000 0.209 633 Q C 2.188 178.103 176.000 -0.141 0.000 0.965 633 Q CA 1.194 56.919 55.803 -0.130 0.000 0.910 633 Q CB -0.072 28.684 28.738 0.030 0.000 0.980 633 Q HN 0.540 nan 8.270 nan 0.000 0.491 634 S N -0.255 115.400 115.700 -0.075 0.000 2.439 634 S HA 0.041 4.509 4.470 -0.002 0.000 0.224 634 S C 0.908 175.460 174.600 -0.080 0.000 1.029 634 S CA -0.171 58.023 58.200 -0.011 0.000 0.946 634 S CB -0.174 63.106 63.200 0.133 0.000 0.797 634 S HN 0.200 nan 8.310 nan 0.000 0.504 635 I N 4.960 125.417 120.570 -0.189 0.000 2.587 635 I HA 0.177 4.345 4.170 -0.002 0.000 0.284 635 I C -2.062 173.867 176.117 -0.313 0.000 1.134 635 I CA -1.755 59.388 61.300 -0.263 0.000 1.410 635 I CB -0.004 37.775 38.000 -0.367 0.000 1.392 635 I HN 0.156 nan 8.210 nan 0.000 0.545 636 P HA 0.061 nan 4.420 nan 0.000 0.268 636 P C 0.477 177.602 177.300 -0.293 0.000 1.205 636 P CA -0.356 62.523 63.100 -0.367 0.000 0.771 636 P CB 1.011 32.351 31.700 -0.601 0.000 0.858 637 R N 1.260 121.636 120.500 -0.206 0.000 2.122 637 R HA -0.089 4.249 4.340 -0.002 0.000 0.236 637 R C 0.710 176.975 176.300 -0.059 0.000 1.129 637 R CA 1.721 57.753 56.100 -0.114 0.000 0.925 637 R CB -0.571 29.683 30.300 -0.077 0.000 0.850 637 R HN 0.426 nan 8.270 nan 0.000 0.431 638 V N -1.626 118.251 119.914 -0.061 0.000 3.145 638 V HA 0.365 4.484 4.120 -0.002 0.000 0.311 638 V C -0.831 175.249 176.094 -0.024 0.000 1.238 638 V CA -0.808 61.559 62.300 0.111 0.000 1.066 638 V CB 1.699 33.615 31.823 0.156 0.000 1.144 638 V HN -0.010 nan 8.190 nan 0.000 0.465 639 F N 0.308 120.465 119.950 0.346 0.000 2.434 639 F HA 0.370 4.895 4.527 -0.002 0.000 0.355 639 F C 1.426 177.296 175.800 0.116 0.000 1.115 639 F CA -0.223 57.891 58.000 0.190 0.000 1.010 639 F CB 1.967 41.124 39.000 0.262 0.000 1.234 639 F HN 0.438 nan 8.300 nan 0.000 0.439 640 S N 2.034 117.804 115.700 0.118 0.000 2.420 640 S HA -0.247 4.222 4.470 -0.002 0.000 0.237 640 S C 2.237 176.837 174.600 0.001 0.000 1.023 640 S CA 1.534 59.772 58.200 0.063 0.000 0.991 640 S CB -0.233 62.970 63.200 0.006 0.000 0.792 640 S HN 0.704 nan 8.310 nan 0.000 0.488 641 K N 1.433 121.746 120.400 -0.146 0.000 2.001 641 K HA -0.066 4.252 4.320 -0.002 0.000 0.208 641 K C 0.193 176.643 176.600 -0.250 0.000 1.048 641 K CA 0.749 56.860 56.287 -0.293 0.000 0.932 641 K CB -0.872 31.314 32.500 -0.523 0.000 0.715 641 K HN 0.360 nan 8.250 nan 0.000 0.437 642 F N 4.358 124.311 119.950 0.005 0.000 2.495 642 F HA 0.107 4.632 4.527 -0.003 0.000 0.370 642 F C -1.861 174.031 175.800 0.153 0.000 1.117 642 F CA -1.978 56.021 58.000 -0.002 0.000 1.060 642 F CB -0.464 38.372 39.000 -0.274 0.000 1.065 642 F HN 0.021 nan 8.300 nan 0.000 0.571 643 P HA 0.007 nan 4.420 nan 0.000 0.266 643 P C -0.103 177.365 177.300 0.279 0.000 1.193 643 P CA 0.405 63.640 63.100 0.226 0.000 0.770 643 P CB 0.538 32.336 31.700 0.164 0.000 0.836 644 I N 2.807 123.498 120.570 0.202 0.000 2.871 644 I HA 0.187 4.356 4.170 -0.002 0.000 0.284 644 I C 0.825 176.984 176.117 0.070 0.000 1.390 644 I CA -0.075 61.322 61.300 0.162 0.000 0.958 644 I CB 0.582 38.679 38.000 0.162 0.000 1.618 644 I HN 0.240 nan 8.210 nan 0.000 0.595 645 K N 0.893 121.327 120.400 0.058 0.000 2.334 645 K HA 0.139 4.457 4.320 -0.002 0.000 0.195 645 K C 1.514 178.086 176.600 -0.047 0.000 1.045 645 K CA 0.293 56.585 56.287 0.008 0.000 1.004 645 K CB 0.620 33.139 32.500 0.032 0.000 0.837 645 K HN 0.278 nan 8.250 nan 0.000 0.510 646 E N 0.689 120.861 120.200 -0.046 0.000 2.140 646 E HA 0.015 4.363 4.350 -0.002 0.000 0.191 646 E C 1.908 178.246 176.600 -0.436 0.000 0.973 646 E CA 0.625 56.950 56.400 -0.126 0.000 0.829 646 E CB 0.145 29.848 29.700 0.005 0.000 0.781 646 E HN 0.223 nan 8.360 nan 0.000 0.466 647 A N 1.352 123.930 122.820 -0.403 0.000 2.067 647 A HA -0.115 4.203 4.320 -0.002 0.000 0.219 647 A C 1.993 179.336 177.584 -0.402 0.000 1.158 647 A CA 0.893 52.570 52.037 -0.599 0.000 0.661 647 A CB -0.239 18.687 19.000 -0.123 0.000 0.801 647 A HN 0.033 nan 8.150 nan 0.000 0.452 648 R N -0.212 120.129 120.500 -0.266 0.000 2.300 648 R HA 0.100 4.438 4.340 -0.002 0.000 0.199 648 R C -0.032 176.106 176.300 -0.270 0.000 0.920 648 R CA -0.043 55.935 56.100 -0.205 0.000 1.046 648 R CB 0.092 30.322 30.300 -0.118 0.000 0.984 648 R HN 0.420 nan 8.270 nan 0.000 0.493 649 K N 1.680 121.849 120.400 -0.385 0.000 2.397 649 K HA -0.014 4.305 4.320 -0.002 0.000 0.265 649 K C -1.509 174.713 176.600 -0.630 0.000 0.982 649 K CA -0.941 54.989 56.287 -0.594 0.000 0.931 649 K CB 0.430 32.374 32.500 -0.927 0.000 0.943 649 K HN -0.094 nan 8.250 nan 0.000 0.501 650 P HA -0.165 nan 4.420 nan 0.000 0.216 650 P C 0.985 178.115 177.300 -0.283 0.000 1.153 650 P CA 1.565 64.443 63.100 -0.369 0.000 0.844 650 P CB -0.092 31.465 31.700 -0.238 0.000 0.787 651 F N -0.091 119.851 119.950 -0.014 0.000 2.722 651 F HA 0.125 4.651 4.527 -0.003 0.000 0.298 651 F C 1.066 176.876 175.800 0.016 0.000 1.175 651 F CA 0.047 58.050 58.000 0.004 0.000 1.462 651 F CB -2.067 36.939 39.000 0.010 0.000 1.111 651 F HN -0.078 nan 8.300 nan 0.000 0.592 652 N N -0.480 118.227 118.700 0.012 0.000 2.170 652 N HA -0.020 4.718 4.740 -0.002 0.000 0.222 652 N C 1.221 176.732 175.510 0.002 0.000 1.218 652 N CA -0.038 53.063 53.050 0.084 0.000 0.889 652 N CB 0.123 38.565 38.487 -0.074 0.000 1.083 652 N HN 0.102 nan 8.380 nan 0.000 0.520 653 Q N 0.892 120.667 119.800 -0.043 0.000 2.389 653 Q HA 0.155 4.494 4.340 -0.002 0.000 0.204 653 Q C 0.780 176.789 176.000 0.013 0.000 0.944 653 Q CA 1.258 57.042 55.803 -0.031 0.000 0.908 653 Q CB 0.151 28.852 28.738 -0.061 0.000 1.002 653 Q HN 0.196 nan 8.270 nan 0.000 0.493 654 N N -0.666 118.054 118.700 0.035 0.000 2.463 654 N HA 0.004 4.742 4.740 -0.002 0.000 0.181 654 N C 0.524 176.060 175.510 0.043 0.000 1.078 654 N CA 0.441 53.510 53.050 0.031 0.000 0.902 654 N CB 0.265 38.773 38.487 0.036 0.000 0.970 654 N HN 0.170 nan 8.380 nan 0.000 0.451 655 K N -0.180 120.275 120.400 0.092 0.000 2.459 655 K HA 0.096 4.414 4.320 -0.002 0.000 0.193 655 K C -0.130 176.519 176.600 0.081 0.000 1.030 655 K CA 0.292 56.645 56.287 0.109 0.000 1.026 655 K CB 0.166 32.800 32.500 0.224 0.000 0.809 655 K HN 0.208 nan 8.250 nan 0.000 0.504 656 N N 0.693 119.432 118.700 0.065 0.000 2.477 656 N HA 0.160 4.899 4.740 -0.002 0.000 0.284 656 N C 0.372 175.823 175.510 -0.098 0.000 1.182 656 N CA -0.231 52.829 53.050 0.017 0.000 0.949 656 N CB 1.634 40.153 38.487 0.053 0.000 1.204 656 N HN -0.060 nan 8.380 nan 0.000 0.526 657 R N -0.091 120.273 120.500 -0.227 0.000 2.195 657 R HA 0.155 4.494 4.340 -0.002 0.000 0.197 657 R C -0.424 175.452 176.300 -0.705 0.000 0.990 657 R CA 0.719 56.494 56.100 -0.541 0.000 1.048 657 R CB 0.412 30.230 30.300 -0.803 0.000 0.997 657 R HN 0.525 nan 8.270 nan 0.000 0.502 658 Y N -1.940 118.374 120.300 0.023 0.000 2.470 658 Y HA 0.200 4.749 4.550 -0.002 0.000 0.341 658 Y C 0.285 176.195 175.900 0.018 0.000 1.021 658 Y CA -0.989 57.125 58.100 0.022 0.000 1.025 658 Y CB 1.759 40.235 38.460 0.026 0.000 1.266 658 Y HN -0.364 nan 8.280 nan 0.000 0.448 659 V N 1.345 121.350 119.914 0.151 0.000 3.573 659 V HA -0.102 4.016 4.120 -0.002 0.000 0.270 659 V C 1.100 177.243 176.094 0.082 0.000 1.221 659 V CA 1.860 64.211 62.300 0.084 0.000 1.163 659 V CB -0.214 31.638 31.823 0.049 0.000 0.847 659 V HN 0.942 nan 8.190 nan 0.000 0.468 660 D N 0.196 120.665 120.400 0.115 0.000 2.144 660 D HA -0.031 4.608 4.640 -0.002 0.000 0.200 660 D C 0.371 176.701 176.300 0.050 0.000 0.978 660 D CA 0.934 54.974 54.000 0.068 0.000 0.833 660 D CB 0.083 40.911 40.800 0.047 0.000 0.961 660 D HN 0.485 nan 8.370 nan 0.000 0.470 661 I N 1.323 121.944 120.570 0.086 0.000 2.355 661 I HA 0.325 4.494 4.170 -0.002 0.000 0.288 661 I C -0.792 175.348 176.117 0.039 0.000 0.999 661 I CA -0.311 61.017 61.300 0.047 0.000 1.163 661 I CB 1.672 39.719 38.000 0.078 0.000 1.316 661 I HN -0.108 nan 8.210 nan 0.000 0.454 662 L N 7.675 128.889 121.223 -0.014 0.000 2.401 662 L HA 0.635 4.974 4.340 -0.002 0.000 0.266 662 L C -2.434 174.392 176.870 -0.073 0.000 0.991 662 L CA -1.810 53.032 54.840 0.003 0.000 0.818 662 L CB 2.593 44.658 42.059 0.011 0.000 1.321 662 L HN 0.333 nan 8.230 nan 0.000 0.413 663 P HA 0.114 nan 4.420 nan 0.000 0.275 663 P C -0.930 176.362 177.300 -0.013 0.000 1.227 663 P CA -0.147 62.915 63.100 -0.063 0.000 0.781 663 P CB 0.490 32.210 31.700 0.034 0.000 0.906 664 Y N 0.481 120.776 120.300 -0.008 0.000 2.511 664 Y HA -0.079 4.469 4.550 -0.002 0.000 0.347 664 Y C 2.157 178.059 175.900 0.002 0.000 1.257 664 Y CA 0.119 58.224 58.100 0.008 0.000 1.469 664 Y CB 0.239 38.620 38.460 -0.131 0.000 1.353 664 Y HN 0.442 nan 8.280 nan 0.000 0.617 665 D N 0.706 121.277 120.400 0.285 0.000 2.183 665 D HA -0.171 4.468 4.640 -0.002 0.000 0.203 665 D C 1.756 178.176 176.300 0.200 0.000 0.969 665 D CA 1.292 55.419 54.000 0.212 0.000 0.842 665 D CB 0.077 41.003 40.800 0.210 0.000 0.957 665 D HN 0.753 nan 8.370 nan 0.000 0.484 666 Y N 1.766 122.149 120.300 0.137 0.000 2.263 666 Y HA -0.077 4.472 4.550 -0.002 0.000 0.292 666 Y C 1.384 177.327 175.900 0.072 0.000 1.130 666 Y CA 1.371 59.515 58.100 0.073 0.000 1.179 666 Y CB -0.578 37.887 38.460 0.008 0.000 0.998 666 Y HN -0.122 nan 8.280 nan 0.000 0.532 667 N N 1.157 119.575 118.700 -0.469 0.000 2.204 667 N HA 0.032 4.771 4.740 -0.002 0.000 0.219 667 N C 0.016 175.555 175.510 0.049 0.000 1.151 667 N CA -0.353 52.574 53.050 -0.206 0.000 0.867 667 N CB -0.314 37.911 38.487 -0.437 0.000 1.043 667 N HN 0.470 nan 8.380 nan 0.000 0.516 668 R N 1.101 121.615 120.500 0.023 0.000 2.585 668 R HA 0.114 4.453 4.340 -0.002 0.000 0.275 668 R C -0.746 175.599 176.300 0.075 0.000 1.018 668 R CA -0.241 55.883 56.100 0.039 0.000 1.072 668 R CB 0.557 30.922 30.300 0.108 0.000 0.953 668 R HN -0.127 nan 8.270 nan 0.000 0.419 669 V N 4.766 124.599 119.914 -0.135 0.000 2.555 669 V HA 0.081 4.200 4.120 -0.002 0.000 0.286 669 V C 0.372 176.416 176.094 -0.083 0.000 1.044 669 V CA 0.204 62.361 62.300 -0.238 0.000 1.026 669 V CB 0.991 32.475 31.823 -0.564 0.000 0.981 669 V HN 0.829 nan 8.190 nan 0.000 0.480 670 E N 4.238 124.455 120.200 0.029 0.000 2.212 670 E HA 0.633 4.982 4.350 -0.002 0.000 0.270 670 E C -1.027 175.573 176.600 -0.000 0.000 0.956 670 E CA -0.774 55.643 56.400 0.029 0.000 0.825 670 E CB 2.230 31.977 29.700 0.080 0.000 1.167 670 E HN 0.477 nan 8.360 nan 0.000 0.400 671 L N 0.833 122.054 121.223 -0.003 0.000 2.352 671 L HA 0.314 4.653 4.340 -0.002 0.000 0.269 671 L C 0.498 177.382 176.870 0.024 0.000 1.034 671 L CA -0.885 53.954 54.840 -0.003 0.000 0.806 671 L CB 1.616 43.666 42.059 -0.015 0.000 1.244 671 L HN 0.438 nan 8.230 nan 0.000 0.447 672 S N 1.240 116.959 115.700 0.032 0.000 2.546 672 S HA -0.028 4.441 4.470 -0.002 0.000 0.290 672 S C 0.213 174.832 174.600 0.031 0.000 1.262 672 S CA -0.478 57.744 58.200 0.038 0.000 1.083 672 S CB -0.069 63.163 63.200 0.052 0.000 0.859 672 S HN 0.427 nan 8.310 nan 0.000 0.495 673 E N 4.222 124.438 120.200 0.027 0.000 2.406 673 E HA 0.008 4.356 4.350 -0.002 0.000 0.258 673 E C -0.057 176.550 176.600 0.012 0.000 1.043 673 E CA 0.173 56.583 56.400 0.016 0.000 0.929 673 E CB 0.198 29.906 29.700 0.012 0.000 0.969 673 E HN 0.526 nan 8.360 nan 0.000 0.462 674 I N 4.352 124.925 120.570 0.006 0.000 2.294 674 I HA 0.008 4.177 4.170 -0.002 0.000 0.295 674 I C 0.783 176.894 176.117 -0.009 0.000 1.098 674 I CA -0.615 60.687 61.300 0.004 0.000 1.277 674 I CB -0.235 37.769 38.000 0.007 0.000 1.434 674 I HN 0.365 nan 8.210 nan 0.000 0.498 675 N N 4.850 123.546 118.700 -0.007 0.000 2.294 675 N HA 0.098 4.836 4.740 -0.002 0.000 0.248 675 N C 1.202 176.699 175.510 -0.021 0.000 1.242 675 N CA 1.859 54.900 53.050 -0.014 0.000 0.848 675 N CB 0.673 39.156 38.487 -0.007 0.000 1.084 675 N HN 0.887 nan 8.380 nan 0.000 0.457 676 G N 2.585 111.366 108.800 -0.032 0.000 3.586 676 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.212 676 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.212 676 G C -0.146 174.720 174.900 -0.056 0.000 1.411 676 G CA 0.246 45.325 45.100 -0.035 0.000 0.898 676 G HN 0.873 nan 8.290 nan 0.000 0.575 677 D N 3.051 123.420 120.400 -0.053 0.000 2.402 677 D HA 0.503 5.141 4.640 -0.002 0.000 0.268 677 D C 0.905 177.117 176.300 -0.146 0.000 1.294 677 D CA 0.865 54.822 54.000 -0.071 0.000 0.945 677 D CB 0.356 41.132 40.800 -0.039 0.000 1.112 677 D HN 0.973 nan 8.370 nan 0.000 0.517 678 A N 3.263 125.946 122.820 -0.228 0.000 2.548 678 A HA 0.469 4.788 4.320 -0.002 0.000 0.247 678 A C 1.521 178.670 177.584 -0.726 0.000 1.067 678 A CA 0.287 52.033 52.037 -0.485 0.000 0.757 678 A CB -0.238 18.428 19.000 -0.557 0.000 0.996 678 A HN 1.195 nan 8.150 nan 0.000 0.504 679 G N 2.069 110.456 108.800 -0.688 0.000 2.273 679 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.280 679 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.280 679 G C 0.735 175.605 174.900 -0.050 0.000 1.047 679 G CA 0.916 45.785 45.100 -0.385 0.000 0.869 679 G HN 2.098 nan 8.290 nan 0.000 0.502 680 S N -0.892 114.772 115.700 -0.061 0.000 2.754 680 S HA 0.092 4.561 4.470 -0.002 0.000 0.223 680 S C 1.448 176.071 174.600 0.037 0.000 0.951 680 S CA 0.698 58.902 58.200 0.006 0.000 0.954 680 S CB -0.136 63.055 63.200 -0.014 0.000 0.780 680 S HN 0.961 nan 8.310 nan 0.000 0.509 681 N N -0.370 118.371 118.700 0.068 0.000 2.294 681 N HA 0.091 4.830 4.740 -0.002 0.000 0.186 681 N C -0.002 175.575 175.510 0.112 0.000 1.107 681 N CA -0.497 52.599 53.050 0.076 0.000 0.884 681 N CB -0.338 38.194 38.487 0.076 0.000 1.030 681 N HN 0.457 nan 8.380 nan 0.000 0.482 682 Y N 1.233 121.562 120.300 0.048 0.000 2.309 682 Y HA 0.545 5.094 4.550 -0.002 0.000 0.327 682 Y C -0.331 175.583 175.900 0.024 0.000 1.172 682 Y CA -0.918 57.213 58.100 0.052 0.000 1.280 682 Y CB 0.510 39.031 38.460 0.102 0.000 1.234 682 Y HN 0.095 nan 8.280 nan 0.000 0.512 683 I N 5.474 125.415 120.570 -1.048 0.000 2.842 683 I HA 0.212 4.380 4.170 -0.002 0.000 0.297 683 I C -1.560 173.932 176.117 -1.042 0.000 1.380 683 I CA -0.864 59.944 61.300 -0.821 0.000 1.018 683 I CB 1.793 39.557 38.000 -0.394 0.000 1.311 683 I HN 0.649 nan 8.210 nan 0.000 0.439 684 N N 5.773 124.082 118.700 -0.653 0.000 2.508 684 N HA 0.567 5.306 4.740 -0.002 0.000 0.253 684 N C -1.184 174.186 175.510 -0.233 0.000 1.145 684 N CA 0.293 53.136 53.050 -0.346 0.000 0.973 684 N CB 0.479 38.895 38.487 -0.119 0.000 1.305 684 N HN 0.680 nan 8.380 nan 0.000 0.506 685 A N 1.713 124.387 122.820 -0.243 0.000 2.577 685 A HA 0.572 4.891 4.320 -0.002 0.000 0.297 685 A C -1.100 176.350 177.584 -0.224 0.000 1.060 685 A CA -0.650 51.254 52.037 -0.222 0.000 0.697 685 A CB 1.040 19.865 19.000 -0.293 0.000 1.281 685 A HN 0.336 nan 8.150 nan 0.000 0.402 686 S N 0.402 115.988 115.700 -0.188 0.000 2.526 686 S HA 0.654 5.122 4.470 -0.002 0.000 0.293 686 S C -1.164 173.359 174.600 -0.128 0.000 1.092 686 S CA -0.299 57.811 58.200 -0.150 0.000 0.980 686 S CB 0.775 63.918 63.200 -0.094 0.000 1.048 686 S HN 0.487 nan 8.310 nan 0.000 0.483 687 Y N 2.165 122.428 120.300 -0.062 0.000 2.442 687 Y HA 0.304 4.853 4.550 -0.002 0.000 0.330 687 Y C 0.454 176.358 175.900 0.007 0.000 1.129 687 Y CA -0.143 57.944 58.100 -0.022 0.000 1.365 687 Y CB 0.375 38.815 38.460 -0.032 0.000 1.233 687 Y HN 0.359 nan 8.280 nan 0.000 0.529 688 I N 3.684 124.394 120.570 0.233 0.000 2.474 688 I HA 0.202 4.371 4.170 -0.002 0.000 0.294 688 I C -0.559 175.710 176.117 0.253 0.000 1.005 688 I CA -1.086 60.350 61.300 0.227 0.000 1.113 688 I CB 1.671 39.834 38.000 0.272 0.000 1.289 688 I HN 0.553 nan 8.210 nan 0.000 0.436 689 D N 4.102 124.612 120.400 0.184 0.000 2.256 689 D HA 0.454 5.092 4.640 -0.002 0.000 0.250 689 D C 0.542 177.019 176.300 0.295 0.000 1.093 689 D CA 0.070 54.161 54.000 0.151 0.000 0.882 689 D CB 1.923 42.767 40.800 0.073 0.000 1.185 689 D HN 0.716 nan 8.370 nan 0.000 0.437 690 G N 0.137 109.061 108.800 0.207 0.000 2.531 690 G HA2 0.080 4.039 3.960 -0.002 0.000 0.281 690 G HA3 0.080 4.039 3.960 -0.002 0.000 0.281 690 G C 0.546 175.646 174.900 0.334 0.000 1.382 690 G CA -0.543 44.753 45.100 0.326 0.000 1.045 690 G HN 0.418 nan 8.290 nan 0.000 0.533 691 F N -0.306 119.709 119.950 0.108 0.000 2.287 691 F HA -0.005 4.521 4.527 -0.002 0.000 0.301 691 F C 1.952 177.787 175.800 0.057 0.000 1.069 691 F CA 1.851 59.884 58.000 0.055 0.000 1.372 691 F CB 0.266 39.238 39.000 -0.046 0.000 1.056 691 F HN 0.300 nan 8.300 nan 0.000 0.523 692 K N -1.071 119.346 120.400 0.029 0.000 2.873 692 K HA 0.007 4.325 4.320 -0.002 0.000 0.241 692 K C -0.069 176.513 176.600 -0.029 0.000 1.985 692 K CA -0.407 55.837 56.287 -0.072 0.000 1.171 692 K CB -0.139 32.333 32.500 -0.045 0.000 2.288 692 K HN -0.126 nan 8.250 nan 0.000 0.422 693 E N 5.253 125.441 120.200 -0.020 0.000 3.250 693 E HA -0.084 4.265 4.350 -0.002 0.000 0.244 693 E C -2.324 174.246 176.600 -0.050 0.000 0.931 693 E CA -0.606 55.765 56.400 -0.048 0.000 0.954 693 E CB 0.256 29.911 29.700 -0.075 0.000 0.894 693 E HN -0.039 nan 8.360 nan 0.000 0.560 694 P HA 0.059 nan 4.420 nan 0.000 0.281 694 P C -0.954 176.319 177.300 -0.045 0.000 1.252 694 P CA -0.065 63.012 63.100 -0.039 0.000 0.778 694 P CB 0.868 32.537 31.700 -0.050 0.000 0.895 695 R N 0.963 121.458 120.500 -0.009 0.000 3.332 695 R HA -0.175 4.164 4.340 -0.002 0.000 0.263 695 R C 1.150 177.450 176.300 0.000 0.000 1.053 695 R CA 0.552 56.678 56.100 0.043 0.000 0.705 695 R CB -1.799 28.482 30.300 -0.032 0.000 1.166 695 R HN 0.586 nan 8.270 nan 0.000 0.427 696 K N 0.252 120.573 120.400 -0.132 0.000 2.103 696 K HA -0.069 4.249 4.320 -0.002 0.000 0.204 696 K C 0.218 176.590 176.600 -0.381 0.000 1.052 696 K CA 1.339 57.404 56.287 -0.370 0.000 0.945 696 K CB 0.187 32.248 32.500 -0.731 0.000 0.722 696 K HN 0.279 nan 8.250 nan 0.000 0.443 697 Y N -0.615 119.745 120.300 0.101 0.000 2.675 697 Y HA 0.502 5.051 4.550 -0.002 0.000 0.328 697 Y C -0.124 175.805 175.900 0.047 0.000 1.092 697 Y CA -1.296 56.851 58.100 0.078 0.000 1.190 697 Y CB 1.290 39.805 38.460 0.092 0.000 1.350 697 Y HN -0.251 nan 8.280 nan 0.000 0.525 698 I N 1.455 122.129 120.570 0.174 0.000 2.497 698 I HA 0.415 4.584 4.170 -0.002 0.000 0.284 698 I C -0.913 175.199 176.117 -0.007 0.000 1.060 698 I CA -0.876 60.412 61.300 -0.019 0.000 1.071 698 I CB 1.530 39.432 38.000 -0.163 0.000 1.216 698 I HN 0.743 nan 8.210 nan 0.000 0.442 699 A N 5.777 128.587 122.820 -0.017 0.000 2.376 699 A HA 0.758 5.076 4.320 -0.002 0.000 0.298 699 A C 0.156 177.713 177.584 -0.046 0.000 1.271 699 A CA -0.177 51.850 52.037 -0.017 0.000 0.926 699 A CB 0.120 19.112 19.000 -0.014 0.000 1.141 699 A HN 0.739 nan 8.150 nan 0.000 0.539 700 A N 2.795 125.613 122.820 -0.003 0.000 2.337 700 A HA 0.618 4.937 4.320 -0.002 0.000 0.329 700 A C 0.084 177.696 177.584 0.046 0.000 1.146 700 A CA -0.673 51.362 52.037 -0.004 0.000 0.800 700 A CB 0.631 19.638 19.000 0.012 0.000 1.220 700 A HN 0.937 nan 8.150 nan 0.000 0.472 701 Q N 1.963 121.760 119.800 -0.005 0.000 2.327 701 Q HA 0.405 4.743 4.340 -0.002 0.000 0.254 701 Q C 0.421 176.382 176.000 -0.065 0.000 0.952 701 Q CA -0.089 55.715 55.803 0.001 0.000 0.884 701 Q CB 0.822 29.547 28.738 -0.022 0.000 1.224 701 Q HN 0.887 nan 8.270 nan 0.000 0.422 702 G N 4.725 113.500 108.800 -0.043 0.000 2.272 702 G HA2 0.150 4.108 3.960 -0.002 0.000 0.247 702 G HA3 0.150 4.108 3.960 -0.002 0.000 0.247 702 G C -2.179 172.557 174.900 -0.273 0.000 1.272 702 G CA -0.801 44.185 45.100 -0.191 0.000 0.921 702 G HN 0.650 nan 8.290 nan 0.000 0.495 703 P HA 0.026 nan 4.420 nan 0.000 0.269 703 P C -0.107 177.087 177.300 -0.177 0.000 1.211 703 P CA 0.223 63.120 63.100 -0.338 0.000 0.781 703 P CB 1.051 32.399 31.700 -0.586 0.000 0.877 704 R N 1.160 121.596 120.500 -0.107 0.000 2.758 704 R HA 0.207 4.546 4.340 -0.002 0.000 0.265 704 R C 0.980 177.267 176.300 -0.022 0.000 1.016 704 R CA -0.672 55.389 56.100 -0.065 0.000 1.040 704 R CB 0.386 30.650 30.300 -0.060 0.000 1.152 704 R HN 0.353 nan 8.270 nan 0.000 0.503 705 D N 1.260 121.658 120.400 -0.004 0.000 2.158 705 D HA -0.173 4.466 4.640 -0.002 0.000 0.197 705 D C 0.745 177.070 176.300 0.041 0.000 0.995 705 D CA 1.544 55.561 54.000 0.028 0.000 0.846 705 D CB 0.171 40.980 40.800 0.016 0.000 0.941 705 D HN 0.538 nan 8.370 nan 0.000 0.456 706 E N -0.870 119.343 120.200 0.022 0.000 2.516 706 E HA 0.005 4.354 4.350 -0.002 0.000 0.199 706 E C 0.832 177.456 176.600 0.040 0.000 1.069 706 E CA 0.705 57.123 56.400 0.031 0.000 0.876 706 E CB 0.272 29.985 29.700 0.021 0.000 0.843 706 E HN 0.136 nan 8.360 nan 0.000 0.530 707 T N -1.336 113.239 114.554 0.035 0.000 3.041 707 T HA 0.004 4.353 4.350 -0.002 0.000 0.276 707 T C 1.806 176.545 174.700 0.064 0.000 0.948 707 T CA 0.443 62.564 62.100 0.035 0.000 0.885 707 T CB 0.432 69.295 68.868 -0.009 0.000 1.175 707 T HN 0.151 nan 8.240 nan 0.000 0.529 708 V N 1.296 121.266 119.914 0.093 0.000 2.250 708 V HA -0.288 3.831 4.120 -0.002 0.000 0.253 708 V C 1.982 178.229 176.094 0.255 0.000 1.065 708 V CA 2.246 64.640 62.300 0.157 0.000 1.039 708 V CB -0.907 31.114 31.823 0.329 0.000 0.647 708 V HN 0.230 nan 8.190 nan 0.000 0.446 709 D N 0.677 121.252 120.400 0.293 0.000 2.106 709 D HA -0.172 4.466 4.640 -0.002 0.000 0.191 709 D C 1.977 178.398 176.300 0.202 0.000 0.997 709 D CA 1.896 56.074 54.000 0.296 0.000 0.834 709 D CB -0.656 40.267 40.800 0.205 0.000 0.956 709 D HN 0.544 nan 8.370 nan 0.000 0.448 710 D N -0.856 119.615 120.400 0.120 0.000 2.265 710 D HA -0.144 4.495 4.640 -0.002 0.000 0.208 710 D C 1.729 178.026 176.300 -0.005 0.000 0.977 710 D CA 0.305 54.334 54.000 0.048 0.000 0.871 710 D CB -0.247 40.560 40.800 0.012 0.000 0.925 710 D HN 0.214 nan 8.370 nan 0.000 0.485 711 F N -0.873 118.982 119.950 -0.158 0.000 2.149 711 F HA -0.047 4.479 4.527 -0.002 0.000 0.294 711 F C 1.901 177.486 175.800 -0.359 0.000 1.095 711 F CA 1.014 58.798 58.000 -0.359 0.000 1.276 711 F CB -0.298 38.345 39.000 -0.594 0.000 1.023 711 F HN -0.072 nan 8.300 nan 0.000 0.480 712 W N 0.950 122.258 121.300 0.013 0.000 2.465 712 W HA -0.007 4.651 4.660 -0.002 0.000 0.268 712 W C 1.771 178.284 176.519 -0.010 0.000 1.242 712 W CA 0.378 57.710 57.345 -0.021 0.000 1.248 712 W CB -0.217 29.241 29.460 -0.003 0.000 1.118 712 W HN -0.236 nan 8.180 nan 0.000 0.587 716 W N 3.620 124.915 121.300 -0.008 0.000 2.444 716 W HA -0.019 4.640 4.660 -0.002 0.000 0.308 716 W C 1.885 178.368 176.519 -0.059 0.000 1.183 716 W CA 1.567 58.901 57.345 -0.018 0.000 1.340 716 W CB 0.240 29.714 29.460 0.022 0.000 1.138 716 W HN 0.079 nan 8.180 nan 0.000 0.510 717 E N 0.126 120.335 120.200 0.014 0.000 2.085 717 E HA -0.264 4.085 4.350 -0.002 0.000 0.194 717 E C 1.872 178.393 176.600 -0.132 0.000 0.994 717 E CA 1.058 57.408 56.400 -0.082 0.000 0.801 717 E CB -0.375 29.334 29.700 0.015 0.000 0.743 717 E HN 0.221 nan 8.360 nan 0.000 0.453 718 Q N 0.420 120.152 119.800 -0.113 0.000 2.444 718 Q HA 0.039 4.377 4.340 -0.002 0.000 0.206 718 Q C -0.038 175.889 176.000 -0.122 0.000 0.948 718 Q CA 0.228 55.980 55.803 -0.085 0.000 0.946 718 Q CB 0.162 28.852 28.738 -0.080 0.000 1.027 718 Q HN 0.202 nan 8.270 nan 0.000 0.513 719 K N -0.109 120.147 120.400 -0.240 0.000 3.148 719 K HA -0.192 4.127 4.320 -0.002 0.000 0.267 719 K C -0.369 176.117 176.600 -0.190 0.000 0.996 719 K CA 0.432 56.501 56.287 -0.363 0.000 0.737 719 K CB -1.588 30.710 32.500 -0.336 0.000 1.308 719 K HN 0.303 nan 8.250 nan 0.000 0.470 720 A N 0.296 123.050 122.820 -0.111 0.000 2.316 720 A HA 0.478 4.797 4.320 -0.002 0.000 0.284 720 A C 1.036 178.637 177.584 0.028 0.000 1.115 720 A CA 0.191 52.216 52.037 -0.019 0.000 0.812 720 A CB 0.487 19.465 19.000 -0.036 0.000 1.064 720 A HN 0.327 nan 8.150 nan 0.000 0.489 721 T N -0.814 113.799 114.554 0.099 0.000 3.209 721 T HA 0.383 4.732 4.350 -0.002 0.000 0.295 721 T C -0.315 174.471 174.700 0.144 0.000 0.977 721 T CA 0.038 62.224 62.100 0.144 0.000 0.922 721 T CB -0.127 68.877 68.868 0.227 0.000 1.152 721 T HN 0.443 nan 8.240 nan 0.000 0.527 722 V N 2.175 122.166 119.914 0.129 0.000 2.532 722 V HA 0.485 4.603 4.120 -0.002 0.000 0.294 722 V C -1.073 175.081 176.094 0.101 0.000 1.036 722 V CA -0.895 61.487 62.300 0.137 0.000 0.876 722 V CB 1.855 33.792 31.823 0.189 0.000 1.012 722 V HN 0.422 nan 8.190 nan 0.000 0.432 723 I N 5.385 126.005 120.570 0.083 0.000 2.378 723 I HA 0.604 4.773 4.170 -0.002 0.000 0.291 723 I C -0.172 175.893 176.117 -0.087 0.000 0.992 723 I CA -0.620 60.713 61.300 0.055 0.000 1.154 723 I CB 1.933 40.046 38.000 0.188 0.000 1.315 723 I HN 0.287 nan 8.210 nan 0.000 0.448 727 T N 2.466 116.987 114.554 -0.054 0.000 2.672 727 T HA 0.447 4.796 4.350 -0.002 0.000 0.302 727 T C -1.788 172.958 174.700 0.077 0.000 1.863 727 T CA -0.568 61.534 62.100 0.003 0.000 0.979 727 T CB 1.587 70.451 68.868 -0.006 0.000 1.905 727 T HN 0.496 nan 8.240 nan 0.000 0.507 728 R N 0.110 120.666 120.500 0.094 0.000 2.778 728 R HA 0.534 4.873 4.340 -0.002 0.000 0.277 728 R C 0.893 177.263 176.300 0.117 0.000 0.977 728 R CA -0.737 55.431 56.100 0.114 0.000 0.950 728 R CB 1.112 31.465 30.300 0.089 0.000 1.165 728 R HN 0.742 nan 8.270 nan 0.000 0.474 729 C N 0.616 119.986 119.300 0.116 0.000 2.432 729 C HA 0.017 4.475 4.460 -0.002 0.000 0.280 729 C C 0.516 175.540 174.990 0.057 0.000 1.353 729 C CA 0.635 59.701 59.018 0.081 0.000 1.766 729 C CB -0.618 27.139 27.740 0.027 0.000 1.924 729 C HN 0.534 nan 8.230 nan 0.000 0.509 730 E N 0.693 120.926 120.200 0.055 0.000 2.248 730 E HA 0.505 4.854 4.350 -0.002 0.000 0.267 730 E C -0.918 175.715 176.600 0.054 0.000 0.877 730 E CA -0.027 56.400 56.400 0.046 0.000 0.759 730 E CB 1.575 31.292 29.700 0.028 0.000 1.182 730 E HN 0.469 nan 8.360 nan 0.000 0.418 731 E N 0.211 120.444 120.200 0.056 0.000 2.378 731 E HA 0.386 4.735 4.350 -0.002 0.000 0.282 731 E C -0.203 176.425 176.600 0.046 0.000 0.910 731 E CA -0.427 56.008 56.400 0.057 0.000 0.816 731 E CB 1.638 31.383 29.700 0.074 0.000 1.359 731 E HN 0.732 nan 8.360 nan 0.000 0.397 732 G N 3.757 112.578 108.800 0.036 0.000 2.198 732 G HA2 -0.337 3.621 3.960 -0.002 0.000 0.257 732 G HA3 -0.337 3.621 3.960 -0.002 0.000 0.257 732 G C 0.349 175.263 174.900 0.025 0.000 1.042 732 G CA 0.215 45.331 45.100 0.027 0.000 0.791 732 G HN 0.714 nan 8.290 nan 0.000 0.502 733 N N -1.913 116.802 118.700 0.025 0.000 2.753 733 N HA -0.172 4.566 4.740 -0.002 0.000 0.251 733 N C 0.415 175.939 175.510 0.025 0.000 1.097 733 N CA 1.834 54.897 53.050 0.021 0.000 0.786 733 N CB -0.439 38.058 38.487 0.016 0.000 1.137 733 N HN 0.736 nan 8.380 nan 0.000 0.566 734 R N 1.086 121.607 120.500 0.034 0.000 2.514 734 R HA 0.286 4.625 4.340 -0.002 0.000 0.301 734 R C 0.045 176.376 176.300 0.052 0.000 0.962 734 R CA -0.615 55.512 56.100 0.045 0.000 0.882 734 R CB 1.285 31.618 30.300 0.056 0.000 1.143 734 R HN 0.092 nan 8.270 nan 0.000 0.452 735 N N 2.282 121.011 118.700 0.049 0.000 2.444 735 N HA 0.049 4.788 4.740 -0.002 0.000 0.271 735 N C 0.020 175.572 175.510 0.070 0.000 1.069 735 N CA 0.057 53.133 53.050 0.044 0.000 0.965 735 N CB 0.937 39.436 38.487 0.020 0.000 1.092 735 N HN 0.278 nan 8.380 nan 0.000 0.476 736 K N 1.461 121.909 120.400 0.080 0.000 2.399 736 K HA 0.153 4.472 4.320 -0.002 0.000 0.196 736 K C -0.101 176.552 176.600 0.089 0.000 1.103 736 K CA 0.093 56.451 56.287 0.117 0.000 0.986 736 K CB -0.137 32.444 32.500 0.134 0.000 0.952 736 K HN 0.520 nan 8.250 nan 0.000 0.541 737 C N 0.932 120.273 119.300 0.069 0.000 2.989 737 C HA 0.693 5.151 4.460 -0.002 0.000 0.397 737 C C -0.654 174.360 174.990 0.040 0.000 1.022 737 C CA -1.094 57.962 59.018 0.064 0.000 1.232 737 C CB 0.443 28.280 27.740 0.162 0.000 1.638 737 C HN 0.470 nan 8.230 nan 0.000 0.534 738 A N 3.476 126.301 122.820 0.008 0.000 2.406 738 A HA 0.476 4.794 4.320 -0.002 0.000 0.243 738 A C 0.067 177.646 177.584 -0.007 0.000 1.082 738 A CA 0.061 52.096 52.037 -0.003 0.000 0.786 738 A CB 0.208 19.210 19.000 0.004 0.000 1.029 738 A HN 0.925 nan 8.150 nan 0.000 0.495 739 E N 0.613 120.735 120.200 -0.131 0.000 2.089 739 E HA 0.326 4.674 4.350 -0.002 0.000 0.284 739 E C -0.701 175.774 176.600 -0.207 0.000 1.023 739 E CA -0.392 55.754 56.400 -0.423 0.000 0.819 739 E CB 0.214 29.517 29.700 -0.662 0.000 1.076 739 E HN 0.638 nan 8.360 nan 0.000 0.396 740 Y N 3.003 123.278 120.300 -0.042 0.000 2.532 740 Y HA 0.297 4.846 4.550 -0.002 0.000 0.283 740 Y C -0.714 175.359 175.900 0.288 0.000 1.181 740 Y CA -1.257 56.869 58.100 0.042 0.000 1.256 740 Y CB -0.657 37.671 38.460 -0.220 0.000 1.112 740 Y HN 0.347 nan 8.280 nan 0.000 0.521 741 W N 0.105 121.440 121.300 0.058 0.000 3.033 741 W HA 0.775 5.434 4.660 -0.002 0.000 0.336 741 W C -3.234 173.379 176.519 0.156 0.000 1.173 741 W CA -3.133 54.298 57.345 0.144 0.000 1.185 741 W CB 0.802 30.200 29.460 -0.103 0.000 1.425 741 W HN -0.283 nan 8.180 nan 0.000 0.536 742 P HA 0.086 nan 4.420 nan 0.000 0.276 742 P C 0.318 177.714 177.300 0.160 0.000 1.235 742 P CA 0.178 63.373 63.100 0.158 0.000 0.772 742 P CB 1.506 33.292 31.700 0.143 0.000 0.871 746 E N 1.842 122.025 120.200 -0.028 0.000 2.409 746 E HA 0.058 4.406 4.350 -0.002 0.000 0.198 746 E C 1.558 178.144 176.600 -0.023 0.000 1.024 746 E CA 0.990 57.370 56.400 -0.034 0.000 0.861 746 E CB -0.064 29.607 29.700 -0.047 0.000 0.788 746 E HN 0.301 nan 8.360 nan 0.000 0.521 747 G N 0.839 109.636 108.800 -0.005 0.000 3.718 747 G HA2 -0.369 3.589 3.960 -0.002 0.000 0.224 747 G HA3 -0.369 3.589 3.960 -0.002 0.000 0.224 747 G C 0.588 175.491 174.900 0.005 0.000 1.328 747 G CA 1.176 46.278 45.100 0.003 0.000 0.974 747 G HN 0.430 nan 8.290 nan 0.000 0.579 748 T N 0.049 114.593 114.554 -0.016 0.000 2.916 748 T HA 0.680 5.029 4.350 -0.002 0.000 0.305 748 T C -0.571 174.094 174.700 -0.059 0.000 1.119 748 T CA -0.103 61.979 62.100 -0.029 0.000 1.008 748 T CB 2.547 71.388 68.868 -0.045 0.000 1.129 748 T HN 0.739 nan 8.240 nan 0.000 0.480 749 R N 0.988 121.446 120.500 -0.070 0.000 2.566 749 R HA 0.731 5.069 4.340 -0.002 0.000 0.271 749 R C -1.873 174.292 176.300 -0.225 0.000 1.071 749 R CA -0.667 55.322 56.100 -0.184 0.000 0.915 749 R CB 1.422 31.583 30.300 -0.231 0.000 1.228 749 R HN 0.770 nan 8.270 nan 0.000 0.449 750 A N 3.946 126.575 122.820 -0.318 0.000 2.304 750 A HA 0.648 4.967 4.320 -0.002 0.000 0.323 750 A C -1.368 176.007 177.584 -0.349 0.000 1.195 750 A CA -0.473 51.427 52.037 -0.229 0.000 0.826 750 A CB 0.404 19.304 19.000 -0.166 0.000 1.184 750 A HN 0.517 nan 8.150 nan 0.000 0.496 751 F N 2.799 122.681 119.950 -0.114 0.000 2.311 751 F HA 0.539 5.065 4.527 -0.002 0.000 0.371 751 F C 1.239 177.042 175.800 0.004 0.000 1.083 751 F CA 0.589 58.593 58.000 0.007 0.000 1.113 751 F CB 1.007 40.101 39.000 0.157 0.000 1.349 751 F HN 1.164 nan 8.300 nan 0.000 0.470 752 G N 2.889 111.742 108.800 0.087 0.000 2.536 752 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.280 752 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.280 752 G C 0.662 175.553 174.900 -0.014 0.000 1.152 752 G CA 0.376 45.505 45.100 0.048 0.000 0.970 752 G HN 0.430 nan 8.290 nan 0.000 0.549 753 D N 0.511 120.890 120.400 -0.035 0.000 2.350 753 D HA 0.249 4.888 4.640 -0.002 0.000 0.213 753 D C 1.074 177.254 176.300 -0.199 0.000 1.031 753 D CA 0.727 54.660 54.000 -0.111 0.000 0.861 753 D CB 0.417 41.147 40.800 -0.116 0.000 0.926 753 D HN 0.371 nan 8.370 nan 0.000 0.520 754 V N 2.132 121.959 119.914 -0.146 0.000 2.368 754 V HA 0.160 4.278 4.120 -0.002 0.000 0.266 754 V C 0.428 176.403 176.094 -0.198 0.000 1.045 754 V CA -0.655 61.510 62.300 -0.227 0.000 0.899 754 V CB 1.435 33.213 31.823 -0.075 0.000 1.006 754 V HN -0.220 nan 8.190 nan 0.000 0.470 755 V N 6.029 125.794 119.914 -0.249 0.000 2.406 755 V HA 0.316 4.435 4.120 -0.002 0.000 0.272 755 V C 0.142 176.096 176.094 -0.234 0.000 1.043 755 V CA -0.420 61.762 62.300 -0.196 0.000 0.915 755 V CB 1.437 33.161 31.823 -0.165 0.000 0.988 755 V HN 0.611 nan 8.190 nan 0.000 0.466 756 V N 5.633 125.408 119.914 -0.231 0.000 2.347 756 V HA 0.430 4.548 4.120 -0.002 0.000 0.280 756 V C 0.086 176.117 176.094 -0.105 0.000 1.021 756 V CA -0.670 61.462 62.300 -0.280 0.000 0.847 756 V CB 1.479 32.982 31.823 -0.534 0.000 0.990 756 V HN 0.865 nan 8.190 nan 0.000 0.444 757 K N 5.252 125.607 120.400 -0.075 0.000 2.323 757 K HA 0.604 4.922 4.320 -0.002 0.000 0.259 757 K C -0.980 175.624 176.600 0.006 0.000 0.947 757 K CA -0.670 55.602 56.287 -0.024 0.000 0.819 757 K CB 2.033 34.517 32.500 -0.028 0.000 1.109 757 K HN 0.719 nan 8.250 nan 0.000 0.429 758 I N 4.349 124.941 120.570 0.037 0.000 2.396 758 I HA 0.162 4.331 4.170 -0.002 0.000 0.292 758 I C 0.073 176.216 176.117 0.044 0.000 0.999 758 I CA -0.375 60.959 61.300 0.056 0.000 1.310 758 I CB 0.870 38.932 38.000 0.104 0.000 1.404 758 I HN 0.770 nan 8.210 nan 0.000 0.496 759 N N 5.026 123.750 118.700 0.040 0.000 2.445 759 N HA 0.146 4.885 4.740 -0.002 0.000 0.204 759 N C -0.596 174.943 175.510 0.048 0.000 1.098 759 N CA 0.172 53.243 53.050 0.035 0.000 0.859 759 N CB 0.569 39.069 38.487 0.022 0.000 1.249 759 N HN 0.628 nan 8.380 nan 0.000 0.462 760 Q N -0.347 119.487 119.800 0.057 0.000 2.379 760 Q HA 0.302 4.641 4.340 -0.002 0.000 0.278 760 Q C -1.526 174.546 176.000 0.121 0.000 1.068 760 Q CA -0.530 55.318 55.803 0.075 0.000 0.816 760 Q CB 2.916 31.678 28.738 0.041 0.000 1.387 760 Q HN 0.157 nan 8.270 nan 0.000 0.413 761 H N 2.208 121.300 119.070 0.037 0.000 3.036 761 H HA 0.234 4.789 4.556 -0.002 0.000 0.295 761 H C -1.608 173.758 175.328 0.064 0.000 1.124 761 H CA -0.354 55.723 56.048 0.049 0.000 1.507 761 H CB 1.023 30.824 29.762 0.065 0.000 1.591 761 H HN 0.497 nan 8.280 nan 0.000 0.510 762 K N 5.426 125.759 120.400 -0.112 0.000 2.357 762 K HA 0.184 4.503 4.320 -0.002 0.000 0.251 762 K C -0.229 176.329 176.600 -0.070 0.000 1.069 762 K CA -0.708 55.569 56.287 -0.017 0.000 0.994 762 K CB 0.413 32.931 32.500 0.031 0.000 1.411 762 K HN 0.491 nan 8.250 nan 0.000 0.450 763 R N 4.360 124.851 120.500 -0.016 0.000 2.309 763 R HA 0.097 4.436 4.340 -0.002 0.000 0.331 763 R C -0.829 175.548 176.300 0.128 0.000 1.116 763 R CA -0.220 55.903 56.100 0.038 0.000 0.970 763 R CB -0.218 30.188 30.300 0.177 0.000 1.024 763 R HN 0.611 nan 8.270 nan 0.000 0.472 764 C N 5.426 124.679 119.300 -0.079 0.000 2.328 764 C HA 0.324 4.783 4.460 -0.002 0.000 0.378 764 C C -0.838 173.914 174.990 -0.397 0.000 1.249 764 C CA -1.666 57.166 59.018 -0.309 0.000 2.204 764 C CB 1.591 28.966 27.740 -0.610 0.000 2.218 764 C HN 0.662 nan 8.230 nan 0.000 0.564 765 P HA -0.123 nan 4.420 nan 0.000 0.216 765 P C 0.556 177.614 177.300 -0.403 0.000 1.150 765 P CA 1.751 64.476 63.100 -0.625 0.000 0.843 765 P CB 0.123 31.198 31.700 -1.042 0.000 0.787 766 D N -3.602 116.516 120.400 -0.470 0.000 2.469 766 D HA 0.090 4.729 4.640 -0.002 0.000 0.240 766 D C 0.400 176.540 176.300 -0.266 0.000 1.087 766 D CA 0.452 54.239 54.000 -0.355 0.000 0.876 766 D CB 0.566 41.295 40.800 -0.118 0.000 1.160 766 D HN 0.292 nan 8.370 nan 0.000 0.497 767 Y N 0.198 120.441 120.300 -0.095 0.000 2.615 767 Y HA 0.593 5.141 4.550 -0.002 0.000 0.341 767 Y C -0.745 175.142 175.900 -0.022 0.000 1.089 767 Y CA -1.736 56.352 58.100 -0.020 0.000 1.049 767 Y CB 1.061 39.608 38.460 0.145 0.000 1.296 767 Y HN -0.250 nan 8.280 nan 0.000 0.470 768 I N 0.707 121.378 120.570 0.169 0.000 2.418 768 I HA 0.632 4.801 4.170 -0.002 0.000 0.287 768 I C -1.533 174.595 176.117 0.019 0.000 1.008 768 I CA -0.949 60.356 61.300 0.009 0.000 1.104 768 I CB 1.687 39.623 38.000 -0.108 0.000 1.264 768 I HN 0.621 nan 8.210 nan 0.000 0.438 769 I N 6.301 126.883 120.570 0.020 0.000 2.297 769 I HA 0.328 4.497 4.170 -0.002 0.000 0.291 769 I C -0.047 176.010 176.117 -0.100 0.000 1.033 769 I CA -0.282 61.014 61.300 -0.007 0.000 1.253 769 I CB 1.205 39.247 38.000 0.071 0.000 1.396 769 I HN 0.650 nan 8.210 nan 0.000 0.476 770 Q N 5.117 124.858 119.800 -0.098 0.000 2.257 770 Q HA 0.467 4.806 4.340 -0.002 0.000 0.262 770 Q C -0.721 175.236 176.000 -0.073 0.000 0.997 770 Q CA -1.092 54.663 55.803 -0.081 0.000 0.873 770 Q CB 2.366 31.026 28.738 -0.130 0.000 1.312 770 Q HN 0.232 nan 8.270 nan 0.000 0.450 771 K N 2.051 122.431 120.400 -0.035 0.000 2.473 771 K HA 0.351 4.670 4.320 -0.002 0.000 0.246 771 K C -1.547 175.058 176.600 0.008 0.000 1.011 771 K CA -0.288 55.981 56.287 -0.030 0.000 0.984 771 K CB 0.404 32.889 32.500 -0.024 0.000 1.250 771 K HN 0.337 nan 8.250 nan 0.000 0.454 772 L N 1.870 123.110 121.223 0.028 0.000 2.358 772 L HA 0.546 4.885 4.340 -0.002 0.000 0.268 772 L C -0.234 176.661 176.870 0.041 0.000 1.032 772 L CA -0.626 54.241 54.840 0.045 0.000 0.805 772 L CB 1.352 43.466 42.059 0.092 0.000 1.253 772 L HN 0.551 nan 8.230 nan 0.000 0.452 773 N N 0.996 119.707 118.700 0.017 0.000 2.549 773 N HA 0.521 5.260 4.740 -0.002 0.000 0.281 773 N C -1.175 174.327 175.510 -0.014 0.000 1.084 773 N CA -0.508 52.554 53.050 0.019 0.000 0.862 773 N CB 0.870 39.362 38.487 0.009 0.000 1.333 773 N HN 0.553 nan 8.380 nan 0.000 0.523 774 I N 1.100 121.684 120.570 0.023 0.000 2.676 774 I HA 0.860 5.029 4.170 -0.002 0.000 0.309 774 I C -0.722 175.406 176.117 0.018 0.000 0.990 774 I CA -1.088 60.191 61.300 -0.034 0.000 1.168 774 I CB 1.743 39.749 38.000 0.010 0.000 1.343 774 I HN 0.252 nan 8.210 nan 0.000 0.482 775 V N 1.843 121.642 119.914 -0.191 0.000 2.924 775 V HA 0.478 4.597 4.120 -0.002 0.000 0.300 775 V C -1.438 174.240 176.094 -0.692 0.000 1.227 775 V CA -0.683 61.422 62.300 -0.325 0.000 0.954 775 V CB 1.594 33.339 31.823 -0.130 0.000 1.055 775 V HN 1.010 nan 8.190 nan 0.000 0.429 776 N N 3.718 121.711 118.700 -1.178 0.000 2.499 776 N HA 0.404 5.143 4.740 -0.002 0.000 0.281 776 N C 0.263 175.524 175.510 -0.414 0.000 1.098 776 N CA -0.345 52.127 53.050 -0.963 0.000 0.979 776 N CB 1.878 39.638 38.487 -1.212 0.000 1.121 776 N HN 0.774 nan 8.380 nan 0.000 0.466 777 K N 2.260 122.493 120.400 -0.280 0.000 2.354 777 K HA 0.151 4.469 4.320 -0.002 0.000 0.194 777 K C 0.040 176.580 176.600 -0.099 0.000 1.038 777 K CA 0.391 56.585 56.287 -0.156 0.000 1.052 777 K CB 0.387 32.808 32.500 -0.132 0.000 0.861 777 K HN 0.530 nan 8.250 nan 0.000 0.535 778 K N 1.384 121.724 120.400 -0.099 0.000 2.994 778 K HA 0.135 4.453 4.320 -0.002 0.000 0.231 778 K C -0.688 175.898 176.600 -0.022 0.000 1.174 778 K CA 0.018 56.275 56.287 -0.049 0.000 1.221 778 K CB 0.393 32.868 32.500 -0.041 0.000 1.166 778 K HN 0.005 nan 8.250 nan 0.000 0.453 779 E N 1.150 121.340 120.200 -0.017 0.000 2.883 779 E HA 0.032 4.381 4.350 -0.002 0.000 0.355 779 E C -1.357 175.281 176.600 0.064 0.000 0.939 779 E CA -0.350 56.075 56.400 0.043 0.000 0.783 779 E CB 0.834 30.589 29.700 0.091 0.000 1.361 779 E HN -0.009 nan 8.360 nan 0.000 0.413 780 K N 2.499 122.939 120.400 0.067 0.000 2.165 780 K HA 0.377 4.696 4.320 -0.002 0.000 0.270 780 K C -0.630 176.043 176.600 0.122 0.000 1.091 780 K CA 0.395 56.727 56.287 0.074 0.000 1.019 780 K CB 0.586 33.119 32.500 0.055 0.000 1.101 780 K HN 0.395 nan 8.250 nan 0.000 0.397 781 A N 2.025 124.946 122.820 0.167 0.000 2.587 781 A HA 0.553 4.871 4.320 -0.002 0.000 0.293 781 A C -0.521 177.208 177.584 0.242 0.000 1.087 781 A CA -0.849 51.337 52.037 0.249 0.000 0.692 781 A CB 1.397 20.666 19.000 0.449 0.000 1.291 781 A HN 0.465 nan 8.150 nan 0.000 0.407 782 T N -0.093 114.604 114.554 0.239 0.000 2.895 782 T HA 0.652 5.000 4.350 -0.002 0.000 0.283 782 T C 0.716 175.560 174.700 0.239 0.000 1.014 782 T CA -0.006 62.209 62.100 0.192 0.000 1.037 782 T CB 1.408 70.351 68.868 0.125 0.000 1.006 782 T HN 1.699 nan 8.240 nan 0.000 0.468 783 G N 2.178 111.075 108.800 0.163 0.000 2.238 783 G HA2 0.203 4.161 3.960 -0.002 0.000 0.234 783 G HA3 0.203 4.161 3.960 -0.002 0.000 0.234 783 G C -0.141 174.852 174.900 0.156 0.000 1.181 783 G CA -0.449 44.741 45.100 0.150 0.000 0.871 783 G HN 0.774 nan 8.290 nan 0.000 0.490 784 R N 1.821 122.430 120.500 0.182 0.000 2.711 784 R HA 0.338 4.676 4.340 -0.002 0.000 0.284 784 R C -0.998 175.367 176.300 0.107 0.000 0.968 784 R CA -0.970 55.215 56.100 0.141 0.000 0.924 784 R CB 1.753 32.091 30.300 0.063 0.000 1.162 784 R HN 0.519 nan 8.270 nan 0.000 0.465 785 E N 1.528 121.778 120.200 0.084 0.000 2.070 785 E HA 0.195 4.544 4.350 -0.002 0.000 0.282 785 E C -0.498 176.158 176.600 0.095 0.000 1.104 785 E CA -0.360 56.078 56.400 0.063 0.000 0.876 785 E CB 0.783 30.496 29.700 0.021 0.000 1.055 785 E HN 0.165 nan 8.360 nan 0.000 0.401 786 V N 3.420 123.395 119.914 0.102 0.000 2.532 786 V HA 0.404 4.523 4.120 -0.002 0.000 0.295 786 V C 0.098 176.233 176.094 0.068 0.000 1.041 786 V CA -0.676 61.703 62.300 0.131 0.000 0.926 786 V CB 1.991 33.956 31.823 0.235 0.000 0.992 786 V HN 0.689 nan 8.190 nan 0.000 0.457 787 T N 4.128 118.696 114.554 0.024 0.000 2.786 787 T HA 0.359 4.708 4.350 -0.002 0.000 0.283 787 T C -0.643 174.024 174.700 -0.055 0.000 0.992 787 T CA -0.238 61.776 62.100 -0.144 0.000 0.954 787 T CB 0.257 68.867 68.868 -0.430 0.000 0.934 787 T HN 0.724 nan 8.240 nan 0.000 0.440 788 H N 4.312 123.280 119.070 -0.170 0.000 2.762 788 H HA 0.453 5.008 4.556 -0.002 0.000 0.310 788 H C -1.204 174.021 175.328 -0.172 0.000 1.004 788 H CA -0.797 55.174 56.048 -0.128 0.000 1.267 788 H CB 0.270 29.953 29.762 -0.132 0.000 1.437 788 H HN 0.427 nan 8.280 nan 0.000 0.498 789 I N 3.617 123.992 120.570 -0.324 0.000 2.428 789 I HA 0.248 4.416 4.170 -0.002 0.000 0.296 789 I C 0.251 176.171 176.117 -0.328 0.000 0.985 789 I CA -0.481 60.708 61.300 -0.185 0.000 1.260 789 I CB 1.638 39.618 38.000 -0.033 0.000 1.389 789 I HN 0.484 nan 8.210 nan 0.000 0.484 790 Q N 4.855 124.585 119.800 -0.116 0.000 2.309 790 Q HA 0.426 4.765 4.340 -0.002 0.000 0.270 790 Q C -1.797 174.284 176.000 0.135 0.000 1.023 790 Q CA -0.666 55.102 55.803 -0.058 0.000 0.758 790 Q CB 1.379 30.114 28.738 -0.006 0.000 1.247 790 Q HN 0.615 nan 8.270 nan 0.000 0.455 791 F N 3.414 123.366 119.950 0.004 0.000 2.411 791 F HA 0.298 4.824 4.527 -0.002 0.000 0.355 791 F C 0.579 176.460 175.800 0.134 0.000 1.117 791 F CA -0.044 58.029 58.000 0.122 0.000 1.139 791 F CB 1.388 40.467 39.000 0.131 0.000 1.120 791 F HN 0.601 nan 8.300 nan 0.000 0.493 792 T N -0.647 113.668 114.554 -0.398 0.000 3.054 792 T HA 0.089 4.438 4.350 -0.002 0.000 0.255 792 T C 0.851 175.362 174.700 -0.315 0.000 1.035 792 T CA 0.128 62.087 62.100 -0.234 0.000 0.941 792 T CB -0.072 68.730 68.868 -0.111 0.000 1.026 792 T HN 0.411 nan 8.240 nan 0.000 0.533 793 S N 1.352 116.596 115.700 -0.760 0.000 2.552 793 S HA 0.240 4.709 4.470 -0.002 0.000 0.246 793 S C -0.882 173.760 174.600 0.069 0.000 1.019 793 S CA -0.810 57.172 58.200 -0.363 0.000 1.045 793 S CB -0.273 62.688 63.200 -0.398 0.000 0.784 793 S HN 0.583 nan 8.310 nan 0.000 0.453 794 W N 3.623 124.951 121.300 0.046 0.000 2.463 794 W HA 0.449 5.108 4.660 -0.002 0.000 0.316 794 W C -3.468 173.130 176.519 0.133 0.000 1.004 794 W CA -3.169 54.327 57.345 0.252 0.000 1.309 794 W CB 0.998 30.741 29.460 0.471 0.000 1.288 794 W HN -0.004 nan 8.180 nan 0.000 0.423 795 P HA 0.024 nan 4.420 nan 0.000 0.281 795 P C 0.002 177.489 177.300 0.312 0.000 1.252 795 P CA 0.196 63.489 63.100 0.321 0.000 0.778 795 P CB 0.825 32.658 31.700 0.221 0.000 0.895 796 D N 2.486 123.003 120.400 0.196 0.000 2.548 796 D HA -0.143 4.495 4.640 -0.002 0.000 0.231 796 D C 0.474 176.942 176.300 0.279 0.000 1.142 796 D CA 0.873 54.980 54.000 0.178 0.000 0.866 796 D CB 0.232 41.144 40.800 0.187 0.000 1.190 796 D HN 0.508 nan 8.370 nan 0.000 0.469 797 H N -0.387 118.717 119.070 0.057 0.000 3.329 797 H HA -0.208 4.346 4.556 -0.002 0.000 0.245 797 H C 0.700 176.092 175.328 0.107 0.000 1.099 797 H CA 1.565 57.651 56.048 0.063 0.000 1.186 797 H CB -1.202 28.580 29.762 0.033 0.000 1.243 797 H HN 0.475 nan 8.280 nan 0.000 0.319 798 G N -1.209 107.756 108.800 0.274 0.000 3.135 798 G HA2 0.652 4.610 3.960 -0.002 0.000 0.278 798 G HA3 0.652 4.610 3.960 -0.002 0.000 0.278 798 G C -0.547 174.544 174.900 0.319 0.000 1.302 798 G CA -0.243 45.003 45.100 0.242 0.000 0.880 798 G HN 0.685 nan 8.290 nan 0.000 0.574 799 V N -2.734 117.269 119.914 0.149 0.000 3.074 799 V HA 0.852 4.970 4.120 -0.002 0.000 0.314 799 V C -2.770 173.225 176.094 -0.165 0.000 1.117 799 V CA -2.276 59.988 62.300 -0.060 0.000 1.014 799 V CB 1.581 33.349 31.823 -0.092 0.000 1.057 799 V HN 0.557 nan 8.190 nan 0.000 0.438 800 P HA 0.348 nan 4.420 nan 0.000 0.274 800 P C 0.073 177.323 177.300 -0.084 0.000 1.260 800 P CA -0.165 62.815 63.100 -0.200 0.000 0.793 800 P CB 0.571 32.106 31.700 -0.275 0.000 1.048 801 E N -0.552 119.639 120.200 -0.015 0.000 2.106 801 E HA -0.036 4.312 4.350 -0.002 0.000 0.192 801 E C 0.154 176.760 176.600 0.011 0.000 0.984 801 E CA 1.362 57.767 56.400 0.008 0.000 0.806 801 E CB -0.265 29.450 29.700 0.025 0.000 0.750 801 E HN 0.452 nan 8.360 nan 0.000 0.458 802 D N -2.291 118.114 120.400 0.008 0.000 2.947 802 D HA 0.207 4.846 4.640 -0.002 0.000 0.224 802 D C -2.335 173.968 176.300 0.005 0.000 1.230 802 D CA -2.115 51.901 54.000 0.027 0.000 0.871 802 D CB 1.774 42.612 40.800 0.063 0.000 1.671 802 D HN -0.341 nan 8.370 nan 0.000 0.507 803 P HA -0.159 nan 4.420 nan 0.000 0.218 803 P C 0.758 178.077 177.300 0.031 0.000 1.146 803 P CA 1.025 64.109 63.100 -0.027 0.000 0.813 803 P CB 0.072 31.771 31.700 -0.002 0.000 0.778 804 H N -0.623 118.450 119.070 0.004 0.000 2.491 804 H HA -0.011 4.543 4.556 -0.002 0.000 0.290 804 H C 1.648 176.990 175.328 0.024 0.000 1.050 804 H CA 1.033 57.101 56.048 0.033 0.000 1.309 804 H CB -0.933 28.862 29.762 0.056 0.000 1.392 804 H HN 0.052 nan 8.280 nan 0.000 0.554 805 L N -0.850 120.348 121.223 -0.042 0.000 2.141 805 L HA -0.139 4.199 4.340 -0.002 0.000 0.209 805 L C 1.876 178.635 176.870 -0.184 0.000 1.094 805 L CA 0.433 55.257 54.840 -0.027 0.000 0.763 805 L CB -0.275 41.886 42.059 0.169 0.000 0.908 805 L HN 0.278 nan 8.230 nan 0.000 0.437 806 L N -0.882 120.184 121.223 -0.261 0.000 2.127 806 L HA -0.091 4.247 4.340 -0.002 0.000 0.203 806 L C 2.159 178.893 176.870 -0.226 0.000 1.080 806 L CA 1.408 56.053 54.840 -0.325 0.000 0.768 806 L CB -0.611 41.243 42.059 -0.341 0.000 0.924 806 L HN 0.090 nan 8.230 nan 0.000 0.444 807 L N -0.686 120.434 121.223 -0.172 0.000 2.450 807 L HA -0.177 4.162 4.340 -0.002 0.000 0.224 807 L C 2.298 179.065 176.870 -0.172 0.000 1.149 807 L CA 1.205 55.973 54.840 -0.120 0.000 0.816 807 L CB -0.854 41.246 42.059 0.068 0.000 0.932 807 L HN 0.192 nan 8.230 nan 0.000 0.449 808 K N 0.705 120.944 120.400 -0.269 0.000 1.991 808 K HA -0.054 4.265 4.320 -0.002 0.000 0.208 808 K C 2.000 178.476 176.600 -0.208 0.000 1.038 808 K CA 1.379 57.517 56.287 -0.247 0.000 0.943 808 K CB -0.525 31.849 32.500 -0.211 0.000 0.736 808 K HN 0.278 nan 8.250 nan 0.000 0.440 809 L N -0.442 120.628 121.223 -0.256 0.000 2.265 809 L HA -0.022 4.316 4.340 -0.002 0.000 0.215 809 L C 2.328 179.065 176.870 -0.221 0.000 1.117 809 L CA 1.269 55.891 54.840 -0.364 0.000 0.782 809 L CB -0.371 41.445 42.059 -0.405 0.000 0.914 809 L HN 0.100 nan 8.230 nan 0.000 0.441 810 R N 1.072 121.500 120.500 -0.119 0.000 2.090 810 R HA -0.100 4.239 4.340 -0.002 0.000 0.228 810 R C 2.354 178.557 176.300 -0.162 0.000 1.110 810 R CA 1.377 57.435 56.100 -0.070 0.000 0.973 810 R CB -0.347 29.854 30.300 -0.165 0.000 0.869 810 R HN 0.460 nan 8.270 nan 0.000 0.440 811 R N -0.016 120.381 120.500 -0.173 0.000 2.096 811 R HA -0.047 4.291 4.340 -0.002 0.000 0.235 811 R C 2.410 178.569 176.300 -0.234 0.000 1.127 811 R CA 1.295 57.301 56.100 -0.156 0.000 0.968 811 R CB 0.003 30.247 30.300 -0.094 0.000 0.861 811 R HN 0.153 nan 8.270 nan 0.000 0.440 812 R N -0.093 120.216 120.500 -0.318 0.000 2.057 812 R HA -0.087 4.252 4.340 -0.002 0.000 0.229 812 R C 2.367 178.030 176.300 -1.063 0.000 1.136 812 R CA 1.676 57.468 56.100 -0.513 0.000 0.952 812 R CB -0.667 29.372 30.300 -0.434 0.000 0.848 812 R HN 0.221 nan 8.270 nan 0.000 0.430 813 V N -0.255 119.167 119.914 -0.821 0.000 2.343 813 V HA -0.203 3.915 4.120 -0.002 0.000 0.247 813 V C 1.452 177.253 176.094 -0.490 0.000 1.051 813 V CA 1.967 63.799 62.300 -0.781 0.000 1.036 813 V CB -1.036 30.666 31.823 -0.202 0.000 0.654 813 V HN 0.293 nan 8.190 nan 0.000 0.451 814 N N 1.110 119.635 118.700 -0.291 0.000 2.635 814 N HA 0.104 4.843 4.740 -0.002 0.000 0.191 814 N C 1.535 176.944 175.510 -0.169 0.000 1.155 814 N CA 0.808 53.763 53.050 -0.157 0.000 0.927 814 N CB -0.098 38.316 38.487 -0.122 0.000 0.976 814 N HN 0.666 nan 8.380 nan 0.000 0.448 815 A N 0.293 122.923 122.820 -0.317 0.000 2.085 815 A HA 0.180 4.499 4.320 -0.002 0.000 0.208 815 A C 0.261 177.834 177.584 -0.019 0.000 1.191 815 A CA -0.127 51.796 52.037 -0.189 0.000 0.799 815 A CB 0.133 19.000 19.000 -0.222 0.000 0.877 815 A HN 0.022 nan 8.150 nan 0.000 0.473 816 F N 1.766 121.729 119.950 0.022 0.000 2.490 816 F HA 0.331 4.857 4.527 -0.002 0.000 0.336 816 F C 1.429 177.264 175.800 0.058 0.000 1.178 816 F CA -0.887 57.136 58.000 0.038 0.000 1.301 816 F CB 0.222 39.242 39.000 0.034 0.000 1.175 816 F HN 0.137 nan 8.300 nan 0.000 0.593 817 S N 0.518 116.394 115.700 0.293 0.000 2.549 817 S HA 0.202 4.671 4.470 -0.002 0.000 0.279 817 S C -0.020 174.718 174.600 0.229 0.000 1.321 817 S CA -0.678 57.654 58.200 0.219 0.000 1.054 817 S CB 0.622 63.941 63.200 0.198 0.000 0.899 817 S HN 0.631 nan 8.310 nan 0.000 0.497 818 N N 1.635 120.459 118.700 0.207 0.000 2.599 818 N HA 0.194 4.933 4.740 -0.002 0.000 0.309 818 N C 0.058 175.705 175.510 0.230 0.000 1.743 818 N CA -0.918 52.258 53.050 0.210 0.000 0.918 818 N CB -0.714 37.856 38.487 0.139 0.000 1.339 818 N HN 0.668 nan 8.380 nan 0.000 0.493 819 F N 0.220 120.237 119.950 0.111 0.000 2.269 819 F HA -0.196 4.330 4.527 -0.002 0.000 0.300 819 F C 0.257 175.931 175.800 -0.209 0.000 1.035 819 F CA 1.612 59.595 58.000 -0.028 0.000 1.373 819 F CB 0.019 39.010 39.000 -0.015 0.000 1.094 819 F HN 0.257 nan 8.300 nan 0.000 0.535 820 F N -1.097 118.902 119.950 0.080 0.000 2.688 820 F HA 0.249 4.774 4.527 -0.003 0.000 0.310 820 F C 1.272 177.048 175.800 -0.041 0.000 1.098 820 F CA 0.131 58.129 58.000 -0.004 0.000 1.228 820 F CB -0.388 38.634 39.000 0.037 0.000 1.042 820 F HN -0.273 nan 8.300 nan 0.000 0.557 821 S N 0.701 116.452 115.700 0.084 0.000 3.521 821 S HA -0.177 4.292 4.470 -0.002 0.000 0.362 821 S C 0.908 175.544 174.600 0.060 0.000 1.044 821 S CA 0.379 58.599 58.200 0.034 0.000 1.091 821 S CB -1.605 61.583 63.200 -0.019 0.000 0.908 821 S HN 0.646 nan 8.310 nan 0.000 0.473 822 G N 1.607 110.470 108.800 0.106 0.000 2.547 822 G HA2 0.592 4.551 3.960 -0.002 0.000 0.291 822 G HA3 0.592 4.551 3.960 -0.002 0.000 0.291 822 G C -2.038 172.891 174.900 0.049 0.000 1.211 822 G CA -1.343 43.802 45.100 0.074 0.000 0.950 822 G HN 0.297 nan 8.290 nan 0.000 0.504 823 P HA 0.257 nan 4.420 nan 0.000 0.274 823 P C -0.530 176.798 177.300 0.047 0.000 1.246 823 P CA -0.169 62.957 63.100 0.044 0.000 0.795 823 P CB 1.392 33.138 31.700 0.078 0.000 1.006 824 I N 1.166 121.784 120.570 0.080 0.000 2.321 824 I HA 0.150 4.319 4.170 -0.002 0.000 0.291 824 I C 0.176 176.376 176.117 0.138 0.000 0.998 824 I CA -1.073 60.309 61.300 0.137 0.000 1.227 824 I CB 1.598 39.744 38.000 0.243 0.000 1.368 824 I HN -0.012 nan 8.210 nan 0.000 0.466 825 V N 7.994 127.944 119.914 0.061 0.000 2.405 825 V HA 0.152 4.271 4.120 -0.002 0.000 0.264 825 V C 0.180 176.303 176.094 0.048 0.000 1.048 825 V CA -0.234 62.081 62.300 0.024 0.000 0.966 825 V CB 1.031 32.829 31.823 -0.041 0.000 1.015 825 V HN 0.385 nan 8.190 nan 0.000 0.477 826 V N 6.173 126.110 119.914 0.038 0.000 2.448 826 V HA 0.647 4.766 4.120 -0.002 0.000 0.295 826 V C -0.435 175.664 176.094 0.008 0.000 1.025 826 V CA -0.574 61.690 62.300 -0.060 0.000 0.859 826 V CB 1.645 33.414 31.823 -0.090 0.000 0.988 826 V HN 1.161 nan 8.190 nan 0.000 0.431 827 H N 1.981 120.996 119.070 -0.092 0.000 3.037 827 H HA 0.865 5.420 4.556 -0.002 0.000 0.355 827 H C -0.317 174.954 175.328 -0.095 0.000 1.263 827 H CA -0.026 55.982 56.048 -0.067 0.000 1.129 827 H CB 1.856 31.616 29.762 -0.003 0.000 1.861 827 H HN 0.573 nan 8.280 nan 0.000 0.546 828 S N 1.000 116.729 115.700 0.048 0.000 4.341 828 S HA 0.341 4.810 4.470 -0.002 0.000 0.220 828 S C 0.999 175.690 174.600 0.153 0.000 1.133 828 S CA 0.090 58.279 58.200 -0.017 0.000 1.679 828 S CB 0.634 63.738 63.200 -0.160 0.000 1.237 828 S HN 0.551 nan 8.310 nan 0.000 0.744 829 S N 0.328 116.090 115.700 0.102 0.000 2.355 829 S HA 0.371 4.839 4.470 -0.002 0.000 0.216 829 S C 1.820 176.575 174.600 0.259 0.000 1.037 829 S CA 0.809 59.123 58.200 0.189 0.000 0.955 829 S CB -0.798 62.542 63.200 0.232 0.000 0.877 829 S HN 0.867 nan 8.310 nan 0.000 0.488 830 A N -0.417 122.555 122.820 0.253 0.000 2.147 830 A HA 0.520 4.838 4.320 -0.002 0.000 0.211 830 A C 1.483 179.133 177.584 0.110 0.000 1.160 830 A CA 0.917 53.122 52.037 0.280 0.000 0.781 830 A CB -0.594 18.515 19.000 0.182 0.000 0.842 830 A HN 1.306 nan 8.150 nan 0.000 0.475 831 G N -1.170 107.663 108.800 0.056 0.000 2.149 831 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.235 831 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.235 831 G C 0.728 175.619 174.900 -0.015 0.000 1.018 831 G CA 0.797 45.910 45.100 0.020 0.000 0.728 831 G HN 1.608 nan 8.290 nan 0.000 0.508 832 V N -4.290 115.604 119.914 -0.033 0.000 3.177 832 V HA 0.638 4.756 4.120 -0.002 0.000 0.220 832 V C 2.303 178.367 176.094 -0.050 0.000 1.395 832 V CA 1.390 63.669 62.300 -0.036 0.000 1.317 832 V CB -0.790 31.014 31.823 -0.032 0.000 1.148 832 V HN 1.056 nan 8.190 nan 0.000 0.499 833 G N 1.244 109.989 108.800 -0.092 0.000 2.879 833 G HA2 -0.137 3.821 3.960 -0.002 0.000 0.200 833 G HA3 -0.137 3.821 3.960 -0.002 0.000 0.200 833 G C 1.422 176.246 174.900 -0.127 0.000 1.437 833 G CA 1.221 46.257 45.100 -0.107 0.000 0.835 833 G HN 0.480 nan 8.290 nan 0.000 0.640 834 R N -0.482 119.846 120.500 -0.286 0.000 2.103 834 R HA -0.112 4.227 4.340 -0.002 0.000 0.242 834 R C 2.882 178.862 176.300 -0.533 0.000 1.142 834 R CA 1.853 57.557 56.100 -0.660 0.000 0.960 834 R CB -0.854 28.687 30.300 -1.265 0.000 0.858 834 R HN 0.521 nan 8.270 nan 0.000 0.439 835 T N -0.620 113.730 114.554 -0.340 0.000 2.674 835 T HA -0.117 4.231 4.350 -0.002 0.000 0.265 835 T C 2.053 176.713 174.700 -0.066 0.000 1.039 835 T CA 1.702 63.682 62.100 -0.199 0.000 1.150 835 T CB -0.509 68.274 68.868 -0.142 0.000 0.864 835 T HN 0.430 nan 8.240 nan 0.000 0.427 836 G N 0.208 108.982 108.800 -0.043 0.000 2.442 836 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.219 836 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.219 836 G C 1.794 176.724 174.900 0.051 0.000 1.141 836 G CA 1.530 46.636 45.100 0.010 0.000 0.763 836 G HN 0.574 nan 8.290 nan 0.000 0.554 837 T N 0.015 114.618 114.554 0.082 0.000 2.684 837 T HA -0.209 4.140 4.350 -0.002 0.000 0.267 837 T C 1.941 176.727 174.700 0.144 0.000 1.036 837 T CA 1.393 63.591 62.100 0.163 0.000 1.148 837 T CB -0.399 68.674 68.868 0.341 0.000 0.863 837 T HN 0.388 nan 8.240 nan 0.000 0.436 838 Y N 1.981 122.324 120.300 0.073 0.000 2.053 838 Y HA -0.195 4.353 4.550 -0.002 0.000 0.277 838 Y C 2.068 177.893 175.900 -0.124 0.000 1.159 838 Y CA 1.113 59.218 58.100 0.009 0.000 1.125 838 Y CB -0.685 37.719 38.460 -0.093 0.000 0.969 838 Y HN 0.170 nan 8.280 nan 0.000 0.492 839 I N 0.387 120.792 120.570 -0.276 0.000 2.248 839 I HA -0.333 3.836 4.170 -0.002 0.000 0.248 839 I C 2.694 178.633 176.117 -0.297 0.000 1.107 839 I CA 1.406 62.431 61.300 -0.459 0.000 1.373 839 I CB -1.160 36.621 38.000 -0.365 0.000 1.055 839 I HN 0.460 nan 8.210 nan 0.000 0.418 840 G N 1.656 110.376 108.800 -0.132 0.000 2.514 840 G HA2 -0.244 3.714 3.960 -0.002 0.000 0.217 840 G HA3 -0.244 3.714 3.960 -0.002 0.000 0.217 840 G C 1.606 176.337 174.900 -0.281 0.000 1.198 840 G CA 1.079 46.120 45.100 -0.099 0.000 0.780 840 G HN 0.345 nan 8.290 nan 0.000 0.565 841 I N 0.824 121.206 120.570 -0.314 0.000 2.091 841 I HA -0.204 3.964 4.170 -0.002 0.000 0.239 841 I C 2.506 178.362 176.117 -0.435 0.000 1.061 841 I CA 1.687 62.769 61.300 -0.363 0.000 1.317 841 I CB -0.538 37.249 38.000 -0.354 0.000 1.031 841 I HN 0.132 nan 8.210 nan 0.000 0.401 842 D N 1.297 121.355 120.400 -0.570 0.000 2.127 842 D HA -0.148 4.491 4.640 -0.002 0.000 0.190 842 D C 1.284 177.396 176.300 -0.313 0.000 1.000 842 D CA 1.572 55.292 54.000 -0.467 0.000 0.839 842 D CB -0.193 40.295 40.800 -0.520 0.000 0.955 842 D HN 0.343 nan 8.370 nan 0.000 0.446 846 E N 1.033 120.977 120.200 -0.427 0.000 2.046 846 E HA -0.081 4.268 4.350 -0.002 0.000 0.190 846 E C 1.991 178.164 176.600 -0.712 0.000 0.982 846 E CA 1.239 57.384 56.400 -0.425 0.000 0.800 846 E CB -0.086 29.428 29.700 -0.311 0.000 0.756 846 E HN 0.495 nan 8.360 nan 0.000 0.449 847 G N 1.519 109.635 108.800 -1.141 0.000 2.469 847 G HA2 -0.273 3.685 3.960 -0.002 0.000 0.220 847 G HA3 -0.273 3.685 3.960 -0.002 0.000 0.220 847 G C 1.549 176.070 174.900 -0.632 0.000 1.136 847 G CA 0.517 44.685 45.100 -1.553 0.000 0.759 847 G HN 0.114 nan 8.290 nan 0.000 0.562 848 L N -0.172 120.809 121.223 -0.403 0.000 2.023 848 L HA 0.031 4.370 4.340 -0.002 0.000 0.205 848 L C 2.834 179.612 176.870 -0.153 0.000 1.073 848 L CA 1.160 55.878 54.840 -0.203 0.000 0.745 848 L CB -0.263 41.715 42.059 -0.135 0.000 0.900 848 L HN 0.285 nan 8.230 nan 0.000 0.435 849 E N -0.388 119.713 120.200 -0.164 0.000 2.455 849 E HA -0.191 4.158 4.350 -0.002 0.000 0.202 849 E C 1.518 178.064 176.600 -0.090 0.000 1.045 849 E CA 0.734 57.079 56.400 -0.092 0.000 0.872 849 E CB 0.027 29.673 29.700 -0.089 0.000 0.792 849 E HN 0.561 nan 8.360 nan 0.000 0.542 850 A N 0.895 123.634 122.820 -0.135 0.000 2.011 850 A HA 0.044 4.363 4.320 -0.002 0.000 0.204 850 A C 1.573 179.149 177.584 -0.014 0.000 1.520 850 A CA 0.049 52.052 52.037 -0.056 0.000 0.819 850 A CB 0.250 19.240 19.000 -0.017 0.000 1.087 850 A HN 0.052 nan 8.150 nan 0.000 0.526 851 E N -0.174 120.016 120.200 -0.018 0.000 2.481 851 E HA 0.130 4.479 4.350 -0.002 0.000 0.198 851 E C -0.602 175.968 176.600 -0.050 0.000 1.027 851 E CA 0.018 56.422 56.400 0.007 0.000 0.900 851 E CB 0.106 29.862 29.700 0.092 0.000 0.993 851 E HN 0.556 nan 8.360 nan 0.000 0.482 852 N N 1.647 120.310 118.700 -0.063 0.000 2.735 852 N HA -0.223 4.516 4.740 -0.002 0.000 0.248 852 N C -1.145 174.336 175.510 -0.049 0.000 1.083 852 N CA 1.579 54.593 53.050 -0.060 0.000 0.703 852 N CB -1.055 37.392 38.487 -0.067 0.000 1.005 852 N HN 0.382 nan 8.380 nan 0.000 0.550 853 K N -2.910 117.481 120.400 -0.016 0.000 2.578 853 K HA 0.794 5.113 4.320 -0.002 0.000 0.287 853 K C -1.224 175.417 176.600 0.069 0.000 1.010 853 K CA -0.987 55.347 56.287 0.078 0.000 0.889 853 K CB 1.953 34.516 32.500 0.106 0.000 1.514 853 K HN 0.118 nan 8.250 nan 0.000 0.424 854 V N -1.766 118.221 119.914 0.123 0.000 2.697 854 V HA 0.400 4.518 4.120 -0.002 0.000 0.300 854 V C -1.723 174.470 176.094 0.165 0.000 1.115 854 V CA -0.623 61.735 62.300 0.095 0.000 0.912 854 V CB 1.604 33.442 31.823 0.025 0.000 1.024 854 V HN 0.906 nan 8.190 nan 0.000 0.431 855 D N 3.532 124.052 120.400 0.199 0.000 2.781 855 D HA 0.430 5.069 4.640 -0.002 0.000 0.254 855 D C 1.029 177.502 176.300 0.289 0.000 1.213 855 D CA 0.086 54.240 54.000 0.257 0.000 0.994 855 D CB 1.162 42.120 40.800 0.264 0.000 1.019 855 D HN 0.379 nan 8.370 nan 0.000 0.514 856 V N 1.965 122.030 119.914 0.251 0.000 2.252 856 V HA -0.307 3.812 4.120 -0.002 0.000 0.249 856 V C 1.908 178.225 176.094 0.371 0.000 1.056 856 V CA 1.762 64.187 62.300 0.209 0.000 1.022 856 V CB -0.849 30.963 31.823 -0.019 0.000 0.641 856 V HN 0.584 nan 8.190 nan 0.000 0.445 857 Y N 1.538 122.058 120.300 0.367 0.000 2.081 857 Y HA -0.261 4.288 4.550 -0.002 0.000 0.280 857 Y C 2.312 178.399 175.900 0.311 0.000 1.163 857 Y CA 2.088 60.442 58.100 0.423 0.000 1.135 857 Y CB -1.002 37.682 38.460 0.374 0.000 0.970 857 Y HN 0.205 nan 8.280 nan 0.000 0.498 858 G N -1.261 107.758 108.800 0.364 0.000 2.480 858 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.216 858 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.216 858 G C 1.624 176.610 174.900 0.145 0.000 1.200 858 G CA 1.086 46.320 45.100 0.223 0.000 0.782 858 G HN 0.585 nan 8.290 nan 0.000 0.554 859 Y N 0.890 121.263 120.300 0.121 0.000 2.151 859 Y HA -0.192 4.356 4.550 -0.002 0.000 0.284 859 Y C 2.979 178.930 175.900 0.084 0.000 1.166 859 Y CA 1.745 59.906 58.100 0.101 0.000 1.163 859 Y CB -0.163 38.364 38.460 0.111 0.000 0.974 859 Y HN 0.051 nan 8.280 nan 0.000 0.511 860 V N -1.130 118.879 119.914 0.159 0.000 2.490 860 V HA -0.300 3.818 4.120 -0.002 0.000 0.250 860 V C 2.169 178.261 176.094 -0.004 0.000 1.061 860 V CA 1.622 63.989 62.300 0.111 0.000 1.064 860 V CB -0.580 31.399 31.823 0.260 0.000 0.670 860 V HN 0.342 nan 8.190 nan 0.000 0.461 861 V N -0.252 119.623 119.914 -0.065 0.000 2.358 861 V HA -0.256 3.862 4.120 -0.002 0.000 0.246 861 V C 2.357 178.448 176.094 -0.005 0.000 1.047 861 V CA 2.123 64.413 62.300 -0.016 0.000 1.035 861 V CB -0.682 31.103 31.823 -0.063 0.000 0.658 861 V HN 0.515 nan 8.190 nan 0.000 0.452 862 K N -0.200 120.129 120.400 -0.118 0.000 2.147 862 K HA -0.116 4.202 4.320 -0.002 0.000 0.205 862 K C 2.052 178.540 176.600 -0.186 0.000 1.049 862 K CA 1.229 57.402 56.287 -0.190 0.000 0.936 862 K CB -0.107 32.226 32.500 -0.277 0.000 0.722 862 K HN 0.405 nan 8.250 nan 0.000 0.446 863 L N -0.238 120.869 121.223 -0.193 0.000 2.023 863 L HA -0.079 4.259 4.340 -0.002 0.000 0.205 863 L C 2.252 179.163 176.870 0.069 0.000 1.073 863 L CA 0.853 55.636 54.840 -0.096 0.000 0.745 863 L CB -0.225 41.783 42.059 -0.085 0.000 0.900 863 L HN -0.018 nan 8.230 nan 0.000 0.435 864 R N -0.179 120.406 120.500 0.143 0.000 2.377 864 R HA -0.093 4.246 4.340 -0.002 0.000 0.207 864 R C 2.033 178.664 176.300 0.552 0.000 1.075 864 R CA 0.765 57.045 56.100 0.300 0.000 1.035 864 R CB -0.349 30.115 30.300 0.272 0.000 0.857 864 R HN 0.189 nan 8.270 nan 0.000 0.475 865 R N -1.264 119.391 120.500 0.258 0.000 2.265 865 R HA 0.120 4.459 4.340 -0.002 0.000 0.194 865 R C 1.327 177.606 176.300 -0.036 0.000 0.931 865 R CA 0.549 56.622 56.100 -0.045 0.000 1.032 865 R CB 0.413 30.471 30.300 -0.402 0.000 0.980 865 R HN 0.230 nan 8.270 nan 0.000 0.497 866 Q N -0.876 119.019 119.800 0.158 0.000 2.396 866 Q HA 0.121 4.460 4.340 -0.002 0.000 0.220 866 Q C 0.008 176.171 176.000 0.271 0.000 0.900 866 Q CA 0.320 56.203 55.803 0.133 0.000 0.925 866 Q CB 0.901 29.656 28.738 0.030 0.000 1.065 866 Q HN -0.079 nan 8.270 nan 0.000 0.535 867 R N 0.008 120.640 120.500 0.221 0.000 2.535 867 R HA 0.234 4.573 4.340 -0.002 0.000 0.274 867 R C -1.315 174.929 176.300 -0.093 0.000 1.090 867 R CA -0.579 55.470 56.100 -0.086 0.000 0.930 867 R CB 1.318 31.581 30.300 -0.063 0.000 1.223 867 R HN 0.188 nan 8.270 nan 0.000 0.441 868 C N 6.546 125.637 119.300 -0.349 0.000 2.334 868 C HA 0.158 4.616 4.460 -0.002 0.000 0.395 868 C C 1.241 176.207 174.990 -0.041 0.000 1.507 868 C CA 0.722 59.638 59.018 -0.169 0.000 1.494 868 C CB -1.754 25.858 27.740 -0.213 0.000 2.509 868 C HN 1.073 nan 8.230 nan 0.000 0.599 872 Q N 2.003 121.900 119.800 0.161 0.000 2.373 872 Q HA 0.392 4.731 4.340 -0.002 0.000 0.206 872 Q C -0.209 175.879 176.000 0.146 0.000 0.942 872 Q CA 0.380 56.289 55.803 0.176 0.000 0.953 872 Q CB 1.015 29.755 28.738 0.004 0.000 1.022 872 Q HN 0.487 nan 8.270 nan 0.000 0.502 873 V N 1.325 121.211 119.914 -0.046 0.000 2.817 873 V HA 0.058 4.176 4.120 -0.002 0.000 0.303 873 V C -0.232 175.488 176.094 -0.622 0.000 1.151 873 V CA -0.852 61.297 62.300 -0.251 0.000 0.929 873 V CB 2.205 33.997 31.823 -0.052 0.000 1.030 873 V HN 0.148 nan 8.190 nan 0.000 0.427 874 E N 2.659 122.387 120.200 -0.785 0.000 2.233 874 E HA -0.218 4.131 4.350 -0.002 0.000 0.199 874 E C 1.961 178.422 176.600 -0.232 0.000 1.004 874 E CA 1.720 57.752 56.400 -0.615 0.000 0.819 874 E CB -0.253 29.309 29.700 -0.230 0.000 0.738 874 E HN 0.797 nan 8.360 nan 0.000 0.478 875 A N 0.577 123.308 122.820 -0.148 0.000 1.898 875 A HA -0.153 4.166 4.320 -0.002 0.000 0.214 875 A C 2.093 179.648 177.584 -0.048 0.000 1.183 875 A CA 1.232 53.234 52.037 -0.057 0.000 0.622 875 A CB -0.391 18.603 19.000 -0.010 0.000 0.824 875 A HN 0.209 nan 8.150 nan 0.000 0.444 876 Q N -2.019 117.762 119.800 -0.031 0.000 2.224 876 Q HA -0.155 4.183 4.340 -0.002 0.000 0.203 876 Q C 1.858 177.869 176.000 0.019 0.000 0.970 876 Q CA 1.550 57.376 55.803 0.038 0.000 0.865 876 Q CB -0.295 28.511 28.738 0.113 0.000 0.922 876 Q HN 0.795 nan 8.270 nan 0.000 0.445 877 Y N 0.846 121.027 120.300 -0.197 0.000 2.133 877 Y HA -0.183 4.365 4.550 -0.002 0.000 0.287 877 Y C 1.732 177.571 175.900 -0.101 0.000 1.134 877 Y CA 1.371 59.388 58.100 -0.139 0.000 1.133 877 Y CB -0.117 38.189 38.460 -0.256 0.000 0.987 877 Y HN 0.024 nan 8.280 nan 0.000 0.502 878 I N -0.315 120.141 120.570 -0.191 0.000 2.493 878 I HA -0.292 3.877 4.170 -0.002 0.000 0.254 878 I C 2.539 178.587 176.117 -0.115 0.000 1.160 878 I CA 0.908 62.024 61.300 -0.307 0.000 1.445 878 I CB -0.411 37.441 38.000 -0.246 0.000 1.086 878 I HN 0.300 nan 8.210 nan 0.000 0.433 879 L N 0.958 122.116 121.223 -0.108 0.000 2.042 879 L HA -0.235 4.104 4.340 -0.002 0.000 0.210 879 L C 2.572 179.343 176.870 -0.165 0.000 1.076 879 L CA 1.804 56.575 54.840 -0.116 0.000 0.749 879 L CB -0.156 41.834 42.059 -0.114 0.000 0.893 879 L HN 0.207 nan 8.230 nan 0.000 0.432 880 I N -1.078 119.357 120.570 -0.225 0.000 2.208 880 I HA -0.356 3.812 4.170 -0.002 0.000 0.245 880 I C 2.524 178.432 176.117 -0.349 0.000 1.097 880 I CA 1.090 62.205 61.300 -0.308 0.000 1.363 880 I CB -0.713 37.052 38.000 -0.390 0.000 1.051 880 I HN 0.374 nan 8.210 nan 0.000 0.413 881 H N 1.162 120.100 119.070 -0.219 0.000 2.299 881 H HA -0.147 4.407 4.556 -0.002 0.000 0.302 881 H C 2.300 177.483 175.328 -0.242 0.000 1.078 881 H CA 1.553 57.511 56.048 -0.150 0.000 1.323 881 H CB -0.465 29.284 29.762 -0.021 0.000 1.381 881 H HN 0.496 nan 8.280 nan 0.000 0.498 882 Q N 0.582 120.262 119.800 -0.200 0.000 2.135 882 Q HA -0.107 4.231 4.340 -0.002 0.000 0.204 882 Q C 2.563 178.456 176.000 -0.177 0.000 0.981 882 Q CA 1.177 56.771 55.803 -0.348 0.000 0.856 882 Q CB -0.195 28.418 28.738 -0.208 0.000 0.902 882 Q HN 0.389 nan 8.270 nan 0.000 0.425 883 A N 1.370 124.106 122.820 -0.141 0.000 1.865 883 A HA -0.196 4.123 4.320 -0.002 0.000 0.217 883 A C 2.138 179.682 177.584 -0.067 0.000 1.191 883 A CA 1.410 53.383 52.037 -0.107 0.000 0.623 883 A CB -0.799 18.102 19.000 -0.165 0.000 0.826 883 A HN 0.289 nan 8.150 nan 0.000 0.444 884 L N -0.616 120.545 121.223 -0.103 0.000 1.994 884 L HA -0.170 4.168 4.340 -0.002 0.000 0.208 884 L C 2.587 179.447 176.870 -0.017 0.000 1.071 884 L CA 1.349 56.154 54.840 -0.058 0.000 0.745 884 L CB -0.810 41.204 42.059 -0.074 0.000 0.892 884 L HN 0.266 nan 8.230 nan 0.000 0.431 885 V N -0.088 119.778 119.914 -0.080 0.000 2.231 885 V HA -0.340 3.778 4.120 -0.002 0.000 0.248 885 V C 2.466 178.505 176.094 -0.091 0.000 1.054 885 V CA 2.105 64.339 62.300 -0.110 0.000 1.015 885 V CB -0.695 30.969 31.823 -0.265 0.000 0.638 885 V HN 0.467 nan 8.190 nan 0.000 0.444 886 E N -0.978 119.201 120.200 -0.036 0.000 2.097 886 E HA -0.290 4.059 4.350 -0.002 0.000 0.196 886 E C 2.112 178.781 176.600 0.115 0.000 1.000 886 E CA 2.075 58.533 56.400 0.098 0.000 0.804 886 E CB -0.292 29.523 29.700 0.192 0.000 0.740 886 E HN 0.793 nan 8.360 nan 0.000 0.454 887 Y N 1.785 122.078 120.300 -0.011 0.000 2.220 887 Y HA -0.157 4.391 4.550 -0.002 0.000 0.291 887 Y C 2.048 177.903 175.900 -0.075 0.000 1.129 887 Y CA 1.767 59.858 58.100 -0.015 0.000 1.161 887 Y CB -0.244 38.189 38.460 -0.045 0.000 0.997 887 Y HN -0.008 nan 8.280 nan 0.000 0.522 888 N N -0.493 118.181 118.700 -0.043 0.000 2.188 888 N HA -0.254 4.485 4.740 -0.002 0.000 0.184 888 N C 1.882 177.228 175.510 -0.274 0.000 1.018 888 N CA 1.142 54.112 53.050 -0.133 0.000 0.858 888 N CB -0.092 38.370 38.487 -0.043 0.000 0.989 888 N HN 0.390 nan 8.380 nan 0.000 0.426 889 Q N 0.124 119.705 119.800 -0.364 0.000 2.016 889 Q HA -0.046 4.292 4.340 -0.002 0.000 0.200 889 Q C 0.985 176.475 176.000 -0.851 0.000 0.978 889 Q CA 1.925 57.331 55.803 -0.661 0.000 0.833 889 Q CB -0.147 28.054 28.738 -0.895 0.000 0.895 889 Q HN 0.487 nan 8.270 nan 0.000 0.427 890 F N -1.673 118.157 119.950 -0.200 0.000 2.712 890 F HA 0.449 4.974 4.527 -0.002 0.000 0.297 890 F C 1.418 176.953 175.800 -0.441 0.000 1.114 890 F CA 0.149 57.947 58.000 -0.337 0.000 1.305 890 F CB 0.303 39.118 39.000 -0.309 0.000 1.086 890 F HN 0.250 nan 8.300 nan 0.000 0.599 891 G N 1.134 109.712 108.800 -0.370 0.000 2.553 891 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.242 891 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.242 891 G C -0.449 174.216 174.900 -0.392 0.000 1.277 891 G CA -0.392 44.346 45.100 -0.604 0.000 0.910 891 G HN 0.286 nan 8.290 nan 0.000 0.576 892 E N 0.760 120.815 120.200 -0.242 0.000 2.092 892 E HA 0.541 4.890 4.350 -0.002 0.000 0.271 892 E C 0.989 177.588 176.600 -0.002 0.000 0.919 892 E CA 0.204 56.594 56.400 -0.015 0.000 0.760 892 E CB 0.468 30.218 29.700 0.084 0.000 1.106 892 E HN 0.679 nan 8.360 nan 0.000 0.408 893 T N 0.451 115.019 114.554 0.023 0.000 3.129 893 T HA 0.150 4.499 4.350 -0.002 0.000 0.267 893 T C 0.443 175.208 174.700 0.110 0.000 1.018 893 T CA -0.445 61.699 62.100 0.074 0.000 0.903 893 T CB 0.111 68.996 68.868 0.028 0.000 1.067 893 T HN 0.374 nan 8.240 nan 0.000 0.549 894 E N 2.134 122.373 120.200 0.064 0.000 2.069 894 E HA 0.362 4.710 4.350 -0.002 0.000 0.254 894 E C -0.134 176.414 176.600 -0.086 0.000 1.088 894 E CA -0.432 55.980 56.400 0.021 0.000 1.017 894 E CB 0.485 30.227 29.700 0.070 0.000 1.226 894 E HN 0.312 nan 8.360 nan 0.000 0.458 895 V N 3.986 123.804 119.914 -0.160 0.000 2.763 895 V HA 0.063 4.182 4.120 -0.002 0.000 0.306 895 V C -0.205 175.775 176.094 -0.190 0.000 1.059 895 V CA 0.096 62.215 62.300 -0.302 0.000 1.138 895 V CB 0.715 32.316 31.823 -0.370 0.000 0.940 895 V HN 0.611 nan 8.190 nan 0.000 0.489 896 N N 4.993 123.588 118.700 -0.176 0.000 2.509 896 N HA 0.314 5.053 4.740 -0.002 0.000 0.287 896 N C 0.904 176.341 175.510 -0.121 0.000 1.121 896 N CA -0.691 52.285 53.050 -0.123 0.000 0.977 896 N CB 1.587 40.026 38.487 -0.081 0.000 1.167 896 N HN 0.670 nan 8.380 nan 0.000 0.476 897 L N 0.894 122.035 121.223 -0.136 0.000 2.129 897 L HA -0.238 4.100 4.340 -0.002 0.000 0.212 897 L C 2.663 179.504 176.870 -0.049 0.000 1.087 897 L CA 1.076 55.831 54.840 -0.141 0.000 0.757 897 L CB -0.507 41.440 42.059 -0.188 0.000 0.896 897 L HN 0.648 nan 8.230 nan 0.000 0.434 898 S N 0.194 115.878 115.700 -0.027 0.000 2.365 898 S HA -0.239 4.230 4.470 -0.002 0.000 0.225 898 S C 1.631 176.251 174.600 0.034 0.000 1.039 898 S CA 1.851 60.059 58.200 0.012 0.000 1.033 898 S CB -0.085 63.120 63.200 0.008 0.000 0.887 898 S HN 0.567 nan 8.310 nan 0.000 0.447 899 E N 0.133 120.339 120.200 0.010 0.000 2.498 899 E HA 0.147 4.495 4.350 -0.002 0.000 0.203 899 E C 1.578 178.230 176.600 0.087 0.000 1.013 899 E CA -0.075 56.353 56.400 0.046 0.000 0.927 899 E CB 0.053 29.760 29.700 0.011 0.000 1.012 899 E HN 0.390 nan 8.360 nan 0.000 0.482 900 L N 1.664 122.906 121.223 0.031 0.000 1.997 900 L HA -0.278 4.061 4.340 -0.002 0.000 0.216 900 L C 2.109 179.056 176.870 0.128 0.000 1.074 900 L CA 2.087 56.959 54.840 0.053 0.000 0.763 900 L CB -0.645 41.361 42.059 -0.089 0.000 0.890 900 L HN 0.229 nan 8.230 nan 0.000 0.434 901 H N -0.424 118.714 119.070 0.113 0.000 2.267 901 H HA -0.095 4.459 4.556 -0.002 0.000 0.297 901 H C -0.066 175.335 175.328 0.122 0.000 1.080 901 H CA 2.516 58.625 56.048 0.102 0.000 1.278 901 H CB -1.754 28.041 29.762 0.056 0.000 1.365 901 H HN 0.347 nan 8.280 nan 0.000 0.489 902 P HA -0.179 nan 4.420 nan 0.000 0.213 902 P C 1.440 178.893 177.300 0.256 0.000 1.170 902 P CA 1.248 64.469 63.100 0.201 0.000 0.898 902 P CB -0.381 31.415 31.700 0.159 0.000 0.787 903 Y N 0.625 120.990 120.300 0.108 0.000 1.956 903 Y HA -0.302 4.247 4.550 -0.002 0.000 0.258 903 Y C 2.259 178.204 175.900 0.075 0.000 1.152 903 Y CA 1.682 59.832 58.100 0.082 0.000 1.093 903 Y CB -1.426 37.077 38.460 0.072 0.000 0.945 903 Y HN -0.229 nan 8.280 nan 0.000 0.488 904 L N 0.257 121.559 121.223 0.131 0.000 1.997 904 L HA -0.363 3.976 4.340 -0.002 0.000 0.227 904 L C 2.474 179.316 176.870 -0.047 0.000 1.087 904 L CA 2.859 57.668 54.840 -0.051 0.000 0.797 904 L CB -1.639 40.474 42.059 0.090 0.000 0.902 904 L HN 0.621 nan 8.230 nan 0.000 0.441 905 H N 0.264 119.328 119.070 -0.011 0.000 2.304 905 H HA -0.187 4.368 4.556 -0.002 0.000 0.287 905 H C 0.920 176.222 175.328 -0.044 0.000 1.112 905 H CA 2.066 58.114 56.048 -0.001 0.000 1.200 905 H CB -0.353 29.433 29.762 0.041 0.000 1.349 905 H HN 0.573 nan 8.280 nan 0.000 0.477 909 K N 3.824 124.119 120.400 -0.175 0.000 2.447 909 K HA 0.027 4.346 4.320 -0.002 0.000 0.281 909 K C -0.297 176.238 176.600 -0.109 0.000 1.031 909 K CA 0.308 56.500 56.287 -0.158 0.000 1.019 909 K CB 0.156 32.530 32.500 -0.211 0.000 0.918 909 K HN 0.138 nan 8.250 nan 0.000 0.476 910 R N 2.003 122.453 120.500 -0.083 0.000 2.868 910 R HA 0.237 4.575 4.340 -0.002 0.000 0.289 910 R C -0.363 175.902 176.300 -0.059 0.000 1.443 910 R CA -0.656 55.402 56.100 -0.071 0.000 1.651 910 R CB 0.292 30.549 30.300 -0.072 0.000 1.242 910 R HN 0.734 nan 8.270 nan 0.000 0.621 911 D N 2.598 122.964 120.400 -0.057 0.000 2.855 911 D HA -0.185 4.453 4.640 -0.002 0.000 0.242 911 D C -1.283 174.995 176.300 -0.036 0.000 1.105 911 D CA 1.720 55.694 54.000 -0.044 0.000 0.977 911 D CB -0.529 40.247 40.800 -0.039 0.000 1.241 911 D HN 0.373 nan 8.370 nan 0.000 0.500 912 P HA 0.080 nan 4.420 nan 0.000 0.266 912 P C -2.207 175.073 177.300 -0.033 0.000 1.419 912 P CA -0.521 62.562 63.100 -0.029 0.000 1.112 912 P CB 1.121 32.805 31.700 -0.028 0.000 1.438 913 P HA -0.178 nan 4.420 nan 0.000 0.221 913 P C 0.865 178.145 177.300 -0.034 0.000 1.141 913 P CA 1.418 64.498 63.100 -0.034 0.000 0.794 913 P CB -0.199 31.485 31.700 -0.026 0.000 0.764 914 S N -1.566 114.116 115.700 -0.030 0.000 2.547 914 S HA -0.028 4.440 4.470 -0.002 0.000 0.235 914 S C 0.820 175.399 174.600 -0.034 0.000 0.980 914 S CA 0.811 58.995 58.200 -0.028 0.000 0.941 914 S CB -0.382 62.804 63.200 -0.023 0.000 0.763 914 S HN 0.223 nan 8.310 nan 0.000 0.532 915 E N 0.641 120.817 120.200 -0.040 0.000 2.320 915 E HA 0.478 4.826 4.350 -0.002 0.000 0.264 915 E C -2.848 173.716 176.600 -0.061 0.000 0.923 915 E CA -2.515 53.857 56.400 -0.046 0.000 0.796 915 E CB 0.769 30.444 29.700 -0.042 0.000 1.262 915 E HN -0.018 nan 8.360 nan 0.000 0.428 916 P HA 0.116 nan 4.420 nan 0.000 0.277 916 P C -0.410 176.837 177.300 -0.088 0.000 1.271 916 P CA -0.406 62.635 63.100 -0.098 0.000 0.795 916 P CB 0.521 32.160 31.700 -0.102 0.000 1.101 917 S N -0.588 115.048 115.700 -0.107 0.000 2.652 917 S HA 0.333 4.802 4.470 -0.002 0.000 0.270 917 S C -1.885 172.691 174.600 -0.040 0.000 1.243 917 S CA -1.074 57.083 58.200 -0.073 0.000 0.999 917 S CB 0.219 63.382 63.200 -0.061 0.000 0.973 917 S HN 0.202 nan 8.310 nan 0.000 0.544 918 P HA -0.096 nan 4.420 nan 0.000 0.216 918 P C 1.583 178.890 177.300 0.012 0.000 1.150 918 P CA 0.751 63.825 63.100 -0.044 0.000 0.843 918 P CB 0.031 31.669 31.700 -0.103 0.000 0.787 919 L N -0.352 120.895 121.223 0.039 0.000 1.976 919 L HA -0.205 4.134 4.340 -0.002 0.000 0.209 919 L C 2.352 179.465 176.870 0.404 0.000 1.071 919 L CA 1.805 56.755 54.840 0.183 0.000 0.746 919 L CB -0.642 41.533 42.059 0.192 0.000 0.890 919 L HN -0.050 nan 8.230 nan 0.000 0.432 920 E N -0.419 119.982 120.200 0.336 0.000 2.130 920 E HA -0.300 4.048 4.350 -0.002 0.000 0.196 920 E C 2.095 178.791 176.600 0.160 0.000 0.998 920 E CA 1.229 57.729 56.400 0.166 0.000 0.806 920 E CB -0.176 29.349 29.700 -0.291 0.000 0.738 920 E HN 0.631 nan 8.360 nan 0.000 0.459 921 A N 1.226 124.097 122.820 0.085 0.000 1.873 921 A HA -0.323 3.995 4.320 -0.002 0.000 0.218 921 A C 2.045 179.688 177.584 0.098 0.000 1.193 921 A CA 1.947 54.014 52.037 0.049 0.000 0.629 921 A CB -0.623 18.385 19.000 0.013 0.000 0.826 921 A HN 0.301 nan 8.150 nan 0.000 0.447 922 E N -1.361 118.936 120.200 0.161 0.000 2.021 922 E HA -0.237 4.112 4.350 -0.002 0.000 0.200 922 E C 1.816 178.611 176.600 0.325 0.000 1.015 922 E CA 1.586 58.131 56.400 0.242 0.000 0.824 922 E CB -0.340 29.568 29.700 0.347 0.000 0.762 922 E HN 0.552 nan 8.360 nan 0.000 0.454 923 F N 1.607 121.538 119.950 -0.032 0.000 2.192 923 F HA -0.237 4.289 4.527 -0.002 0.000 0.301 923 F C 2.109 177.868 175.800 -0.070 0.000 1.079 923 F CA 1.438 59.229 58.000 -0.348 0.000 1.303 923 F CB -0.198 38.638 39.000 -0.273 0.000 1.024 923 F HN 0.094 nan 8.300 nan 0.000 0.494 924 Q N -0.004 119.718 119.800 -0.131 0.000 2.369 924 Q HA -0.065 4.274 4.340 -0.002 0.000 0.206 924 Q C 2.343 178.294 176.000 -0.080 0.000 0.963 924 Q CA 0.823 56.492 55.803 -0.222 0.000 0.894 924 Q CB -0.399 28.276 28.738 -0.106 0.000 0.965 924 Q HN 0.473 nan 8.270 nan 0.000 0.475 925 R N -0.300 120.258 120.500 0.097 0.000 2.200 925 R HA 0.132 4.471 4.340 -0.002 0.000 0.208 925 R C 0.458 177.007 176.300 0.416 0.000 1.033 925 R CA -0.090 56.160 56.100 0.250 0.000 1.000 925 R CB 0.127 30.606 30.300 0.299 0.000 0.906 925 R HN 0.139 nan 8.270 nan 0.000 0.462 926 L N 4.494 125.870 121.223 0.255 0.000 2.742 926 L HA 0.031 4.369 4.340 -0.002 0.000 0.275 926 L C -1.779 175.051 176.870 -0.068 0.000 1.141 926 L CA -0.997 53.819 54.840 -0.041 0.000 0.987 926 L CB 0.387 42.282 42.059 -0.273 0.000 1.319 926 L HN -0.045 nan 8.230 nan 0.000 0.478 927 P HA -0.011 nan 4.420 nan 0.000 0.259 927 P C 0.101 177.154 177.300 -0.412 0.000 1.635 927 P CA -0.133 62.858 63.100 -0.182 0.000 1.199 927 P CB 0.533 32.145 31.700 -0.147 0.000 1.850 928 S N 3.288 118.866 115.700 -0.202 0.000 2.558 928 S HA -0.068 4.401 4.470 -0.002 0.000 0.293 928 S C 0.052 174.550 174.600 -0.171 0.000 1.292 928 S CA -0.075 58.078 58.200 -0.079 0.000 1.063 928 S CB -0.221 62.972 63.200 -0.012 0.000 0.831 928 S HN 0.298 nan 8.310 nan 0.000 0.499 929 Y N 4.673 124.950 120.300 -0.038 0.000 2.955 929 Y HA 0.265 4.814 4.550 -0.002 0.000 0.386 929 Y C 1.343 177.370 175.900 0.213 0.000 1.069 929 Y CA -0.288 57.812 58.100 -0.001 0.000 1.764 929 Y CB -0.695 37.506 38.460 -0.431 0.000 1.646 929 Y HN 0.799 nan 8.280 nan 0.000 0.486 930 R N 0.938 121.577 120.500 0.231 0.000 2.902 930 R HA -0.328 4.010 4.340 -0.002 0.000 0.482 930 R C 1.000 177.507 176.300 0.344 0.000 0.689 930 R CA 2.477 58.717 56.100 0.233 0.000 0.717 930 R CB -1.185 29.206 30.300 0.152 0.000 0.616 930 R HN 0.269 nan 8.270 nan 0.000 0.322 931 S N -0.551 115.329 115.700 0.300 0.000 2.602 931 S HA 0.059 4.528 4.470 -0.002 0.000 0.246 931 S C 0.349 175.157 174.600 0.346 0.000 1.009 931 S CA 0.194 58.590 58.200 0.326 0.000 1.052 931 S CB -0.445 62.878 63.200 0.206 0.000 0.778 931 S HN 0.497 nan 8.310 nan 0.000 0.455 932 W N 3.072 124.474 121.300 0.170 0.000 2.207 932 W HA -0.283 4.376 4.660 -0.002 0.000 0.335 932 W C 0.726 177.182 176.519 -0.106 0.000 1.370 932 W CA 1.766 59.124 57.345 0.022 0.000 1.396 932 W CB 0.098 29.526 29.460 -0.052 0.000 1.095 932 W HN 0.247 nan 8.180 nan 0.000 0.490 933 R N -2.110 118.256 120.500 -0.225 0.000 2.846 933 R HA 0.255 4.593 4.340 -0.002 0.000 0.263 933 R C -0.032 176.265 176.300 -0.005 0.000 1.080 933 R CA -0.164 55.711 56.100 -0.374 0.000 0.961 933 R CB 0.786 30.639 30.300 -0.745 0.000 1.231 933 R HN -0.136 nan 8.270 nan 0.000 0.465 934 T N -0.294 114.197 114.554 -0.104 0.000 2.934 934 T HA 0.023 4.372 4.350 -0.002 0.000 0.306 934 T C 0.303 174.951 174.700 -0.086 0.000 1.042 934 T CA 0.011 61.972 62.100 -0.231 0.000 1.145 934 T CB 0.495 69.069 68.868 -0.490 0.000 0.982 934 T HN 0.546 nan 8.240 nan 0.000 0.544 935 Q N 0.760 120.487 119.800 -0.121 0.000 2.141 935 Q HA 0.129 4.468 4.340 -0.002 0.000 0.295 935 Q C 0.407 176.447 176.000 0.066 0.000 0.870 935 Q CA -0.608 55.220 55.803 0.041 0.000 1.096 935 Q CB 0.453 29.264 28.738 0.120 0.000 1.288 935 Q HN 0.749 nan 8.270 nan 0.000 0.418 936 H N 0.934 120.032 119.070 0.045 0.000 2.270 936 H HA -0.102 4.452 4.556 -0.002 0.000 0.299 936 H C 2.014 177.308 175.328 -0.057 0.000 1.077 936 H CA 1.023 57.071 56.048 -0.000 0.000 1.294 936 H CB 0.067 29.832 29.762 0.006 0.000 1.371 936 H HN 0.200 nan 8.280 nan 0.000 0.491 937 I N 0.886 121.484 120.570 0.047 0.000 2.074 937 I HA -0.230 3.939 4.170 -0.002 0.000 0.238 937 I C 2.692 178.585 176.117 -0.373 0.000 1.037 937 I CA 1.780 63.019 61.300 -0.102 0.000 1.301 937 I CB -1.784 36.194 38.000 -0.036 0.000 1.016 937 I HN 0.351 nan 8.210 nan 0.000 0.400 938 G N 1.052 109.635 108.800 -0.363 0.000 2.501 938 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.220 938 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.220 938 G C 1.221 175.937 174.900 -0.308 0.000 1.114 938 G CA 0.543 45.316 45.100 -0.546 0.000 0.757 938 G HN 0.440 nan 8.290 nan 0.000 0.559 939 N N 0.065 118.668 118.700 -0.162 0.000 2.273 939 N HA 0.123 4.861 4.740 -0.002 0.000 0.231 939 N C 0.158 175.624 175.510 -0.074 0.000 1.134 939 N CA -0.021 52.984 53.050 -0.074 0.000 0.856 939 N CB 0.582 39.071 38.487 0.003 0.000 1.068 939 N HN 0.196 nan 8.380 nan 0.000 0.510 940 Q N 0.801 120.524 119.800 -0.129 0.000 2.382 940 Q HA 0.068 4.407 4.340 -0.002 0.000 0.229 940 Q C 1.264 177.226 176.000 -0.064 0.000 1.006 940 Q CA -0.065 55.687 55.803 -0.086 0.000 0.916 940 Q CB 0.886 29.564 28.738 -0.099 0.000 1.235 940 Q HN 0.056 nan 8.270 nan 0.000 0.512 941 E N 1.584 121.763 120.200 -0.035 0.000 2.012 941 E HA -0.256 4.092 4.350 -0.002 0.000 0.211 941 E C 1.430 178.023 176.600 -0.011 0.000 1.029 941 E CA 2.037 58.426 56.400 -0.018 0.000 0.867 941 E CB -0.110 29.584 29.700 -0.009 0.000 0.790 941 E HN 0.733 nan 8.360 nan 0.000 0.482 942 E N 0.860 121.059 120.200 -0.001 0.000 2.147 942 E HA -0.274 4.075 4.350 -0.002 0.000 0.199 942 E C 1.470 178.089 176.600 0.032 0.000 1.005 942 E CA 1.950 58.361 56.400 0.018 0.000 0.810 942 E CB -1.036 28.680 29.700 0.027 0.000 0.736 942 E HN 0.501 nan 8.360 nan 0.000 0.460 943 N N 0.347 119.046 118.700 -0.001 0.000 2.515 943 N HA -0.020 4.719 4.740 -0.002 0.000 0.185 943 N C 1.523 177.043 175.510 0.016 0.000 1.109 943 N CA 0.133 53.187 53.050 0.006 0.000 0.903 943 N CB 0.129 38.438 38.487 -0.296 0.000 0.969 943 N HN 0.064 nan 8.380 nan 0.000 0.450 944 K N 0.818 121.216 120.400 -0.004 0.000 2.217 944 K HA -0.012 4.307 4.320 -0.002 0.000 0.202 944 K C 1.741 178.369 176.600 0.046 0.000 1.051 944 K CA 0.733 57.028 56.287 0.013 0.000 0.952 944 K CB -0.133 32.367 32.500 -0.000 0.000 0.736 944 K HN 0.196 nan 8.250 nan 0.000 0.453 945 S N 0.344 116.074 115.700 0.050 0.000 2.710 945 S HA 0.132 4.601 4.470 -0.002 0.000 0.224 945 S C 0.869 175.507 174.600 0.064 0.000 0.948 945 S CA 0.018 58.246 58.200 0.047 0.000 0.949 945 S CB -0.001 63.221 63.200 0.036 0.000 0.778 945 S HN 0.155 nan 8.310 nan 0.000 0.498 946 K N 0.886 121.353 120.400 0.111 0.000 2.469 946 K HA 0.250 4.569 4.320 -0.002 0.000 0.204 946 K C -0.709 175.952 176.600 0.101 0.000 1.047 946 K CA -0.122 56.235 56.287 0.116 0.000 1.072 946 K CB 0.425 33.054 32.500 0.214 0.000 0.863 946 K HN 0.400 nan 8.250 nan 0.000 0.530 947 N N 1.488 120.245 118.700 0.094 0.000 2.518 947 N HA 0.116 4.855 4.740 -0.002 0.000 0.254 947 N C 0.490 176.009 175.510 0.015 0.000 0.979 947 N CA -0.334 52.755 53.050 0.066 0.000 0.930 947 N CB 1.563 40.109 38.487 0.099 0.000 1.152 947 N HN -0.033 nan 8.380 nan 0.000 0.505 948 R N 2.962 123.450 120.500 -0.019 0.000 2.119 948 R HA -0.147 4.191 4.340 -0.002 0.000 0.246 948 R C -0.048 176.243 176.300 -0.015 0.000 1.146 948 R CA 1.719 57.800 56.100 -0.031 0.000 0.962 948 R CB -0.105 30.159 30.300 -0.060 0.000 0.863 948 R HN 0.606 nan 8.270 nan 0.000 0.442 949 N N -0.626 118.068 118.700 -0.009 0.000 2.483 949 N HA 0.084 4.822 4.740 -0.002 0.000 0.267 949 N C 0.016 175.532 175.510 0.009 0.000 0.998 949 N CA 0.112 53.161 53.050 -0.002 0.000 0.918 949 N CB 1.505 39.987 38.487 -0.008 0.000 1.215 949 N HN 0.181 nan 8.380 nan 0.000 0.500 950 S N 3.537 119.245 115.700 0.013 0.000 2.389 950 S HA -0.276 4.193 4.470 -0.002 0.000 0.229 950 S C 0.952 175.563 174.600 0.018 0.000 1.048 950 S CA 2.035 60.245 58.200 0.018 0.000 1.117 950 S CB -0.522 62.688 63.200 0.016 0.000 1.020 950 S HN 0.864 nan 8.310 nan 0.000 0.430 951 N N -0.006 118.703 118.700 0.016 0.000 2.466 951 N HA 0.173 4.912 4.740 -0.002 0.000 0.251 951 N C -0.664 174.848 175.510 0.004 0.000 1.164 951 N CA -0.277 52.783 53.050 0.016 0.000 0.888 951 N CB 0.511 39.013 38.487 0.025 0.000 1.177 951 N HN 0.235 nan 8.380 nan 0.000 0.498 952 V N 1.795 121.707 119.914 -0.003 0.000 2.464 952 V HA 0.317 4.436 4.120 -0.002 0.000 0.255 952 V C -0.417 175.664 176.094 -0.021 0.000 0.946 952 V CA -0.457 61.830 62.300 -0.022 0.000 0.988 952 V CB 0.117 31.931 31.823 -0.015 0.000 1.210 952 V HN 0.329 nan 8.190 nan 0.000 0.523 953 I N 4.839 125.387 120.570 -0.037 0.000 2.377 953 I HA 0.434 4.602 4.170 -0.002 0.000 0.293 953 I C -1.959 174.113 176.117 -0.074 0.000 0.987 953 I CA -2.159 59.142 61.300 0.001 0.000 1.185 953 I CB 2.617 40.633 38.000 0.026 0.000 1.341 953 I HN 0.248 nan 8.210 nan 0.000 0.455 954 P HA -0.047 nan 4.420 nan 0.000 0.267 954 P C -1.146 176.161 177.300 0.012 0.000 1.200 954 P CA 0.147 63.236 63.100 -0.019 0.000 0.772 954 P CB 0.339 32.079 31.700 0.066 0.000 0.855 955 Y N 0.800 121.193 120.300 0.156 0.000 2.411 955 Y HA -0.031 4.517 4.550 -0.002 0.000 0.333 955 Y C 2.040 178.020 175.900 0.133 0.000 1.186 955 Y CA 0.496 58.719 58.100 0.205 0.000 1.381 955 Y CB -0.226 38.505 38.460 0.452 0.000 1.273 955 Y HN 0.400 nan 8.280 nan 0.000 0.546 956 D N 1.362 121.914 120.400 0.254 0.000 2.228 956 D HA -0.275 4.364 4.640 -0.002 0.000 0.203 956 D C 1.834 178.233 176.300 0.165 0.000 0.988 956 D CA 1.583 55.664 54.000 0.134 0.000 0.864 956 D CB -0.242 40.558 40.800 0.001 0.000 0.928 956 D HN 0.820 nan 8.370 nan 0.000 0.469 957 Y N 1.848 122.211 120.300 0.106 0.000 2.497 957 Y HA -0.121 4.427 4.550 -0.002 0.000 0.292 957 Y C 0.995 176.962 175.900 0.111 0.000 1.137 957 Y CA 1.576 59.718 58.100 0.069 0.000 1.285 957 Y CB -0.396 38.068 38.460 0.007 0.000 0.991 957 Y HN 0.128 nan 8.280 nan 0.000 0.556 958 N N -0.956 117.570 118.700 -0.289 0.000 1.986 958 N HA 0.078 4.817 4.740 -0.002 0.000 0.227 958 N C -0.406 175.182 175.510 0.130 0.000 1.387 958 N CA -0.641 52.253 53.050 -0.260 0.000 0.810 958 N CB 0.020 38.150 38.487 -0.595 0.000 1.140 958 N HN 0.178 nan 8.380 nan 0.000 0.504 959 R N 0.864 121.442 120.500 0.129 0.000 2.767 959 R HA 0.080 4.418 4.340 -0.002 0.000 0.264 959 R C -0.363 176.110 176.300 0.287 0.000 0.987 959 R CA -0.164 56.041 56.100 0.175 0.000 1.114 959 R CB 0.135 30.554 30.300 0.198 0.000 0.976 959 R HN -0.120 nan 8.270 nan 0.000 0.437 960 V N 3.152 123.173 119.914 0.177 0.000 2.385 960 V HA 0.202 4.320 4.120 -0.002 0.000 0.269 960 V C -1.902 174.302 176.094 0.184 0.000 1.043 960 V CA -2.061 60.391 62.300 0.253 0.000 0.906 960 V CB 0.918 32.619 31.823 -0.205 0.000 0.995 960 V HN 0.768 nan 8.190 nan 0.000 0.467 961 P HA 0.075 nan 4.420 nan 0.000 0.263 961 P C -0.314 177.049 177.300 0.104 0.000 1.195 961 P CA 0.033 63.222 63.100 0.149 0.000 0.762 961 P CB 0.445 32.225 31.700 0.133 0.000 0.799 962 L N 4.374 125.644 121.223 0.078 0.000 2.352 962 L HA 0.194 4.532 4.340 -0.002 0.000 0.272 962 L C 0.649 177.557 176.870 0.062 0.000 1.109 962 L CA -0.533 54.337 54.840 0.049 0.000 0.952 962 L CB -0.180 41.895 42.059 0.028 0.000 1.314 962 L HN 0.328 nan 8.230 nan 0.000 0.427 991 K N 0.174 120.636 120.400 0.103 0.000 2.587 991 K HA 0.417 4.736 4.320 -0.002 0.000 0.276 991 K C -2.250 174.450 176.600 0.168 0.000 0.956 991 K CA -0.517 55.840 56.287 0.117 0.000 0.857 991 K CB 1.917 34.467 32.500 0.083 0.000 1.431 991 K HN 0.675 nan 8.250 nan 0.000 0.420 992 Y N 2.607 122.928 120.300 0.035 0.000 2.320 992 Y HA 0.634 5.182 4.550 -0.002 0.000 0.334 992 Y C -0.548 175.365 175.900 0.022 0.000 1.055 992 Y CA -0.741 57.377 58.100 0.031 0.000 1.143 992 Y CB 0.678 39.156 38.460 0.030 0.000 1.193 992 Y HN 0.537 nan 8.280 nan 0.000 0.477 993 I N 6.269 126.354 120.570 -0.807 0.000 2.607 993 I HA 0.283 4.452 4.170 -0.002 0.000 0.290 993 I C -1.081 174.495 176.117 -0.903 0.000 1.129 993 I CA -0.748 60.129 61.300 -0.705 0.000 1.042 993 I CB 1.544 39.366 38.000 -0.297 0.000 1.242 993 I HN 0.636 nan 8.210 nan 0.000 0.421 994 N N 6.649 124.932 118.700 -0.695 0.000 3.103 994 N HA 0.396 5.134 4.740 -0.002 0.000 0.305 994 N C -1.064 174.327 175.510 -0.198 0.000 1.232 994 N CA 0.222 53.046 53.050 -0.376 0.000 1.190 994 N CB 0.044 38.423 38.487 -0.180 0.000 1.461 994 N HN 0.641 nan 8.380 nan 0.000 0.538 995 A N 0.538 123.248 122.820 -0.183 0.000 2.549 995 A HA 0.677 4.996 4.320 -0.002 0.000 0.297 995 A C -0.738 176.768 177.584 -0.130 0.000 1.061 995 A CA -0.636 51.314 52.037 -0.145 0.000 0.690 995 A CB 1.144 20.039 19.000 -0.175 0.000 1.287 995 A HN 0.354 nan 8.150 nan 0.000 0.402 996 S N 0.123 115.751 115.700 -0.119 0.000 2.599 996 S HA 0.818 5.286 4.470 -0.002 0.000 0.294 996 S C -0.781 173.743 174.600 -0.126 0.000 1.094 996 S CA -0.640 57.523 58.200 -0.061 0.000 0.931 996 S CB 0.925 64.136 63.200 0.018 0.000 1.093 996 S HN 0.468 nan 8.310 nan 0.000 0.488 997 F N 1.618 121.528 119.950 -0.067 0.000 2.467 997 F HA 0.406 4.932 4.527 -0.002 0.000 0.362 997 F C 0.521 176.295 175.800 -0.043 0.000 1.090 997 F CA -0.362 57.605 58.000 -0.054 0.000 1.202 997 F CB 0.387 39.348 39.000 -0.065 0.000 1.113 997 F HN 0.323 nan 8.300 nan 0.000 0.541 1001 Y N 2.381 122.653 120.300 -0.046 0.000 2.040 1001 Y HA 0.047 4.595 4.550 -0.002 0.000 0.275 1001 Y C 0.334 176.087 175.900 -0.245 0.000 1.171 1001 Y CA 2.032 60.016 58.100 -0.195 0.000 1.123 1001 Y CB -0.243 38.043 38.460 -0.289 0.000 0.963 1001 Y HN 0.646 nan 8.280 nan 0.000 0.493 1002 W N 3.803 125.018 121.300 -0.142 0.000 2.481 1002 W HA 0.288 4.947 4.660 -0.002 0.000 0.320 1002 W C 0.037 176.471 176.519 -0.141 0.000 1.209 1002 W CA -0.642 56.566 57.345 -0.228 0.000 1.400 1002 W CB 0.109 29.515 29.460 -0.090 0.000 1.361 1002 W HN -0.160 nan 8.180 nan 0.000 0.456 1003 K N 4.567 124.958 120.400 -0.015 0.000 2.237 1003 K HA 0.139 4.458 4.320 -0.002 0.000 0.270 1003 K C -1.265 175.362 176.600 0.045 0.000 1.015 1003 K CA -1.177 55.113 56.287 0.005 0.000 0.949 1003 K CB 1.014 33.483 32.500 -0.051 0.000 0.976 1003 K HN 0.251 nan 8.250 nan 0.000 0.472 1004 P HA 0.066 nan 4.420 nan 0.000 0.254 1004 P C -0.697 176.639 177.300 0.060 0.000 1.494 1004 P CA -0.042 63.081 63.100 0.038 0.000 0.961 1004 P CB 0.359 32.074 31.700 0.024 0.000 1.493 1005 E N 0.355 120.605 120.200 0.084 0.000 2.467 1005 E HA 0.137 4.485 4.350 -0.002 0.000 0.264 1005 E C 0.404 177.060 176.600 0.094 0.000 1.020 1005 E CA 0.318 56.772 56.400 0.090 0.000 0.945 1005 E CB 1.126 30.899 29.700 0.122 0.000 0.942 1005 E HN 0.010 nan 8.360 nan 0.000 0.449 1009 A N 5.191 127.947 122.820 -0.105 0.000 2.478 1009 A HA 0.876 5.195 4.320 -0.002 0.000 0.327 1009 A C 0.172 177.725 177.584 -0.052 0.000 1.431 1009 A CA -0.007 52.004 52.037 -0.043 0.000 1.014 1009 A CB 0.385 19.378 19.000 -0.012 0.000 1.143 1009 A HN 0.767 nan 8.150 nan 0.000 0.532 1010 A N 2.433 125.241 122.820 -0.021 0.000 2.284 1010 A HA 0.774 5.093 4.320 -0.002 0.000 0.317 1010 A C 0.066 177.646 177.584 -0.007 0.000 1.120 1010 A CA -0.668 51.355 52.037 -0.022 0.000 0.900 1010 A CB 0.643 19.660 19.000 0.029 0.000 1.319 1010 A HN 0.909 nan 8.150 nan 0.000 0.494 1011 Q N -0.370 119.376 119.800 -0.090 0.000 2.240 1011 Q HA 0.612 4.951 4.340 -0.002 0.000 0.260 1011 Q C 0.315 176.114 176.000 -0.337 0.000 1.018 1011 Q CA -0.578 55.146 55.803 -0.132 0.000 0.898 1011 Q CB 0.882 29.543 28.738 -0.129 0.000 1.301 1011 Q HN 0.868 nan 8.270 nan 0.000 0.469 1012 G N 2.198 110.818 108.800 -0.299 0.000 2.272 1012 G HA2 0.233 4.191 3.960 -0.002 0.000 0.247 1012 G HA3 0.233 4.191 3.960 -0.002 0.000 0.247 1012 G C -2.085 172.473 174.900 -0.570 0.000 1.272 1012 G CA -0.746 44.047 45.100 -0.512 0.000 0.921 1012 G HN 0.556 nan 8.290 nan 0.000 0.495 1013 P HA 0.053 nan 4.420 nan 0.000 0.269 1013 P C -0.129 176.971 177.300 -0.335 0.000 1.217 1013 P CA 0.017 62.690 63.100 -0.712 0.000 0.783 1013 P CB 1.178 32.250 31.700 -1.047 0.000 0.898 1014 L N 2.206 123.301 121.223 -0.215 0.000 2.322 1014 L HA 0.300 4.638 4.340 -0.002 0.000 0.279 1014 L C 1.989 178.818 176.870 -0.068 0.000 1.036 1014 L CA -0.657 54.114 54.840 -0.115 0.000 0.807 1014 L CB 1.020 43.032 42.059 -0.078 0.000 1.226 1014 L HN 0.415 nan 8.230 nan 0.000 0.433 1015 K N 1.363 121.741 120.400 -0.038 0.000 2.589 1015 K HA -0.135 4.184 4.320 -0.002 0.000 0.195 1015 K C 0.568 177.181 176.600 0.021 0.000 1.042 1015 K CA 1.153 57.439 56.287 -0.000 0.000 0.940 1015 K CB 0.299 32.797 32.500 -0.002 0.000 0.776 1015 K HN 0.548 nan 8.250 nan 0.000 0.487 1016 E N -0.610 119.593 120.200 0.005 0.000 2.569 1016 E HA 0.022 4.371 4.350 -0.002 0.000 0.205 1016 E C 0.335 176.946 176.600 0.018 0.000 1.006 1016 E CA 0.223 56.636 56.400 0.021 0.000 0.985 1016 E CB 0.821 30.531 29.700 0.017 0.000 1.060 1016 E HN 0.329 nan 8.360 nan 0.000 0.460 1017 T N -3.548 111.007 114.554 0.001 0.000 3.259 1017 T HA 0.240 4.588 4.350 -0.002 0.000 0.287 1017 T C 1.613 176.308 174.700 -0.009 0.000 0.874 1017 T CA -0.352 61.741 62.100 -0.012 0.000 0.878 1017 T CB -0.874 67.954 68.868 -0.067 0.000 1.223 1017 T HN 0.039 nan 8.240 nan 0.000 0.630 1018 I N 2.115 122.685 120.570 -0.000 0.000 2.462 1018 I HA -0.204 3.964 4.170 -0.002 0.000 0.259 1018 I C 2.488 178.626 176.117 0.035 0.000 1.156 1018 I CA 1.909 63.228 61.300 0.032 0.000 1.417 1018 I CB -0.389 37.686 38.000 0.126 0.000 1.088 1018 I HN 0.577 nan 8.210 nan 0.000 0.442 1019 G N 0.336 109.175 108.800 0.065 0.000 2.473 1019 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.212 1019 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.212 1019 G C 1.185 176.143 174.900 0.096 0.000 1.211 1019 G CA 0.508 45.661 45.100 0.087 0.000 0.813 1019 G HN 0.288 nan 8.290 nan 0.000 0.541 1020 D N 0.667 121.108 120.400 0.069 0.000 2.172 1020 D HA -0.188 4.451 4.640 -0.002 0.000 0.196 1020 D C 1.988 178.291 176.300 0.004 0.000 0.999 1020 D CA 0.842 54.864 54.000 0.037 0.000 0.856 1020 D CB -0.390 40.413 40.800 0.006 0.000 0.934 1020 D HN 0.235 nan 8.370 nan 0.000 0.453 1021 F N 0.378 120.188 119.950 -0.233 0.000 2.091 1021 F HA -0.209 4.317 4.527 -0.002 0.000 0.299 1021 F C 2.067 177.590 175.800 -0.461 0.000 1.103 1021 F CA 1.405 59.144 58.000 -0.434 0.000 1.228 1021 F CB -0.687 37.927 39.000 -0.643 0.000 0.984 1021 F HN -0.019 nan 8.300 nan 0.000 0.477 1022 W N 0.392 121.567 121.300 -0.208 0.000 2.388 1022 W HA -0.057 4.602 4.660 -0.002 0.000 0.294 1022 W C 1.626 178.078 176.519 -0.112 0.000 1.212 1022 W CA 0.528 57.735 57.345 -0.230 0.000 1.271 1022 W CB -0.798 28.551 29.460 -0.185 0.000 1.126 1022 W HN -0.033 nan 8.180 nan 0.000 0.535 1026 F N 1.860 121.771 119.950 -0.065 0.000 2.148 1026 F HA 0.185 4.711 4.527 -0.002 0.000 0.285 1026 F C 2.450 178.250 175.800 -0.000 0.000 1.092 1026 F CA 1.974 59.973 58.000 -0.002 0.000 1.218 1026 F CB -0.034 38.990 39.000 0.040 0.000 1.059 1026 F HN -0.006 nan 8.300 nan 0.000 0.490 1027 Q N 0.043 120.027 119.800 0.307 0.000 2.096 1027 Q HA -0.255 4.084 4.340 -0.002 0.000 0.208 1027 Q C 1.802 177.851 176.000 0.081 0.000 0.993 1027 Q CA 1.958 57.884 55.803 0.206 0.000 0.862 1027 Q CB -0.298 28.527 28.738 0.144 0.000 0.915 1027 Q HN 0.135 nan 8.270 nan 0.000 0.416 1028 R N 0.885 121.395 120.500 0.018 0.000 2.323 1028 R HA 0.081 4.420 4.340 -0.002 0.000 0.198 1028 R C -0.350 175.914 176.300 -0.061 0.000 0.988 1028 R CA 0.219 56.309 56.100 -0.017 0.000 1.041 1028 R CB -0.105 30.152 30.300 -0.071 0.000 0.926 1028 R HN 0.159 nan 8.270 nan 0.000 0.476 1029 K N -0.049 120.284 120.400 -0.112 0.000 3.689 1029 K HA -0.155 4.164 4.320 -0.002 0.000 0.276 1029 K C -0.718 175.800 176.600 -0.137 0.000 0.932 1029 K CA 0.331 56.510 56.287 -0.180 0.000 0.758 1029 K CB -1.749 30.672 32.500 -0.132 0.000 1.500 1029 K HN -0.024 nan 8.250 nan 0.000 0.448 1030 V N 1.480 121.304 119.914 -0.150 0.000 2.572 1030 V HA -0.020 4.099 4.120 -0.002 0.000 0.291 1030 V C 1.475 177.530 176.094 -0.066 0.000 1.039 1030 V CA 0.350 62.578 62.300 -0.120 0.000 1.055 1030 V CB 1.474 33.189 31.823 -0.181 0.000 0.969 1030 V HN 0.412 nan 8.190 nan 0.000 0.482 1031 K N 4.618 125.008 120.400 -0.016 0.000 2.214 1031 K HA 0.226 4.545 4.320 -0.002 0.000 0.201 1031 K C 0.007 176.694 176.600 0.144 0.000 1.049 1031 K CA 0.845 57.168 56.287 0.059 0.000 0.978 1031 K CB 0.453 32.974 32.500 0.035 0.000 0.842 1031 K HN 0.470 nan 8.250 nan 0.000 0.474 1032 V N 2.062 122.031 119.914 0.091 0.000 2.656 1032 V HA 0.449 4.568 4.120 -0.002 0.000 0.307 1032 V C -0.541 175.610 176.094 0.096 0.000 1.051 1032 V CA -0.867 61.529 62.300 0.159 0.000 0.893 1032 V CB 1.909 33.799 31.823 0.112 0.000 0.999 1032 V HN 0.070 nan 8.190 nan 0.000 0.426 1033 I N 3.977 124.631 120.570 0.139 0.000 2.493 1033 I HA 0.675 4.844 4.170 -0.002 0.000 0.298 1033 I C -0.484 175.682 176.117 0.082 0.000 0.998 1033 I CA -0.680 60.653 61.300 0.055 0.000 1.137 1033 I CB 2.124 40.142 38.000 0.031 0.000 1.310 1033 I HN 0.316 nan 8.210 nan 0.000 0.445 1037 T N -4.263 110.289 114.554 -0.004 0.000 2.807 1037 T HA 0.813 5.161 4.350 -0.002 0.000 0.277 1037 T C 0.074 174.813 174.700 0.065 0.000 1.006 1037 T CA -0.455 61.654 62.100 0.015 0.000 1.006 1037 T CB 2.800 71.682 68.868 0.024 0.000 1.274 1037 T HN -0.082 nan 8.240 nan 0.000 0.569 1038 E N -0.792 119.434 120.200 0.042 0.000 2.803 1038 E HA 0.541 4.889 4.350 -0.002 0.000 0.250 1038 E C 0.769 177.419 176.600 0.084 0.000 1.102 1038 E CA -0.672 55.760 56.400 0.053 0.000 1.017 1038 E CB 0.548 30.239 29.700 -0.014 0.000 1.346 1038 E HN 0.605 nan 8.360 nan 0.000 0.532 1039 L N -0.277 120.990 121.223 0.074 0.000 2.416 1039 L HA 0.225 4.563 4.340 -0.002 0.000 0.216 1039 L C 0.072 176.953 176.870 0.017 0.000 1.098 1039 L CA 0.532 55.403 54.840 0.051 0.000 0.840 1039 L CB -0.138 41.930 42.059 0.016 0.000 0.981 1039 L HN 0.437 nan 8.230 nan 0.000 0.462 1040 K N -2.938 117.471 120.400 0.015 0.000 2.772 1040 K HA 0.237 4.556 4.320 -0.002 0.000 0.292 1040 K C -1.044 175.574 176.600 0.031 0.000 1.049 1040 K CA -0.891 55.414 56.287 0.029 0.000 0.846 1040 K CB 0.906 33.421 32.500 0.024 0.000 1.514 1040 K HN -0.277 nan 8.250 nan 0.000 0.373 1041 H N 0.486 119.557 119.070 0.001 0.000 2.680 1041 H HA 0.251 4.806 4.556 -0.002 0.000 0.260 1041 H C 0.942 176.271 175.328 0.001 0.000 1.328 1041 H CA 1.115 57.164 56.048 0.003 0.000 1.269 1041 H CB 0.543 30.305 29.762 0.001 0.000 1.446 1041 H HN 0.944 nan 8.280 nan 0.000 0.527 1042 G N 5.128 114.006 108.800 0.129 0.000 4.608 1042 G HA2 -0.486 3.472 3.960 -0.002 0.000 0.352 1042 G HA3 -0.486 3.472 3.960 -0.002 0.000 0.352 1042 G C 0.924 175.857 174.900 0.056 0.000 1.395 1042 G CA 1.316 46.468 45.100 0.086 0.000 1.148 1042 G HN 0.554 nan 8.290 nan 0.000 0.804 1043 D N 1.325 121.757 120.400 0.054 0.000 2.527 1043 D HA 0.177 4.816 4.640 -0.002 0.000 0.249 1043 D C 1.318 177.636 176.300 0.029 0.000 1.029 1043 D CA 0.823 54.840 54.000 0.028 0.000 0.951 1043 D CB -0.423 40.386 40.800 0.015 0.000 1.093 1043 D HN 0.711 nan 8.370 nan 0.000 0.464 1044 Q N 2.435 122.256 119.800 0.035 0.000 2.264 1044 Q HA -0.067 4.272 4.340 -0.002 0.000 0.296 1044 Q C -0.242 175.785 176.000 0.046 0.000 1.103 1044 Q CA 0.294 56.116 55.803 0.031 0.000 0.967 1044 Q CB -0.496 28.253 28.738 0.019 0.000 1.090 1044 Q HN 0.490 nan 8.270 nan 0.000 0.379 1045 E N 2.991 123.202 120.200 0.020 0.000 2.257 1045 E HA 0.182 4.530 4.350 -0.002 0.000 0.278 1045 E C -0.116 176.491 176.600 0.012 0.000 1.049 1045 E CA -0.378 56.029 56.400 0.011 0.000 0.876 1045 E CB 0.515 30.208 29.700 -0.011 0.000 1.035 1045 E HN 0.689 nan 8.360 nan 0.000 0.419 1046 I N 2.261 122.844 120.570 0.022 0.000 3.603 1046 I HA 0.121 4.289 4.170 -0.002 0.000 0.297 1046 I C 0.663 176.781 176.117 0.002 0.000 1.269 1046 I CA 0.019 61.331 61.300 0.020 0.000 1.361 1046 I CB 0.367 38.388 38.000 0.035 0.000 1.063 1046 I HN 0.628 nan 8.210 nan 0.000 0.448 1047 C N -0.642 118.656 119.300 -0.004 0.000 3.292 1047 C HA 0.691 5.150 4.460 -0.002 0.000 0.338 1047 C C 0.558 175.525 174.990 -0.039 0.000 1.323 1047 C CA -0.476 58.527 59.018 -0.024 0.000 1.232 1047 C CB 0.784 28.553 27.740 0.049 0.000 1.517 1047 C HN 0.358 nan 8.230 nan 0.000 0.470 1048 A N 1.300 124.083 122.820 -0.063 0.000 3.037 1048 A HA 0.632 4.951 4.320 -0.002 0.000 0.192 1048 A C 0.082 177.593 177.584 -0.121 0.000 2.048 1048 A CA 0.356 52.351 52.037 -0.069 0.000 0.928 1048 A CB 0.025 18.992 19.000 -0.054 0.000 1.895 1048 A HN 0.888 nan 8.150 nan 0.000 0.777 1049 Q N -0.768 118.939 119.800 -0.156 0.000 3.576 1049 Q HA 0.173 4.512 4.340 -0.002 0.000 0.249 1049 Q C -0.773 175.066 176.000 -0.268 0.000 0.771 1049 Q CA -0.215 55.288 55.803 -0.500 0.000 0.897 1049 Q CB 0.554 28.897 28.738 -0.658 0.000 1.551 1049 Q HN 0.782 nan 8.270 nan 0.000 0.388 1050 Y N -0.992 119.401 120.300 0.155 0.000 2.821 1050 Y HA -0.062 4.487 4.550 -0.002 0.000 0.300 1050 Y C -0.092 176.305 175.900 0.829 0.000 1.162 1050 Y CA -0.056 58.341 58.100 0.495 0.000 1.424 1050 Y CB -0.783 37.969 38.460 0.485 0.000 0.972 1050 Y HN 0.339 nan 8.280 nan 0.000 0.561 1051 W N -0.111 121.360 121.300 0.285 0.000 2.936 1051 W HA 0.833 5.492 4.660 -0.002 0.000 0.338 1051 W C -0.500 176.154 176.519 0.225 0.000 1.121 1051 W CA -1.518 56.066 57.345 0.397 0.000 1.209 1051 W CB 1.118 30.916 29.460 0.564 0.000 1.420 1051 W HN 0.064 nan 8.180 nan 0.000 0.516 1052 G N 1.242 110.236 108.800 0.324 0.000 2.730 1052 G HA2 0.373 4.332 3.960 -0.002 0.000 0.289 1052 G HA3 0.373 4.332 3.960 -0.002 0.000 0.289 1052 G C -0.155 174.851 174.900 0.177 0.000 1.341 1052 G CA -0.669 44.504 45.100 0.120 0.000 0.932 1052 G HN 0.493 nan 8.290 nan 0.000 0.481 1053 E N -0.001 120.252 120.200 0.088 0.000 2.152 1053 E HA 0.016 4.365 4.350 -0.002 0.000 0.192 1053 E C 1.912 178.527 176.600 0.025 0.000 0.983 1053 E CA 0.849 57.285 56.400 0.060 0.000 0.818 1053 E CB -0.341 29.378 29.700 0.031 0.000 0.758 1053 E HN 0.473 nan 8.360 nan 0.000 0.467 1054 G N 0.820 109.629 108.800 0.017 0.000 2.529 1054 G HA2 -0.041 3.917 3.960 -0.002 0.000 0.234 1054 G HA3 -0.041 3.917 3.960 -0.002 0.000 0.234 1054 G C 0.387 175.282 174.900 -0.008 0.000 1.527 1054 G CA -0.248 44.849 45.100 -0.006 0.000 1.062 1054 G HN 0.091 nan 8.290 nan 0.000 0.558 1055 K N 0.235 120.618 120.400 -0.030 0.000 2.832 1055 K HA 0.137 4.456 4.320 -0.002 0.000 0.211 1055 K C -0.012 176.542 176.600 -0.078 0.000 1.112 1055 K CA -0.326 55.938 56.287 -0.039 0.000 1.108 1055 K CB -0.099 32.377 32.500 -0.040 0.000 0.899 1055 K HN 0.256 nan 8.250 nan 0.000 0.464 1056 Q N 0.824 120.571 119.800 -0.089 0.000 2.636 1056 Q HA -0.153 4.185 4.340 -0.002 0.000 0.384 1056 Q C -0.002 175.774 176.000 -0.373 0.000 1.200 1056 Q CA 1.074 56.735 55.803 -0.237 0.000 1.120 1056 Q CB 0.422 29.073 28.738 -0.144 0.000 1.170 1056 Q HN 0.323 nan 8.270 nan 0.000 0.445 1057 T N 1.531 115.711 114.554 -0.622 0.000 2.912 1057 T HA 0.674 5.022 4.350 -0.002 0.000 0.299 1057 T C -1.816 172.480 174.700 -0.673 0.000 1.052 1057 T CA -0.591 61.227 62.100 -0.471 0.000 0.996 1057 T CB 0.561 69.299 68.868 -0.216 0.000 1.070 1057 T HN 0.360 nan 8.240 nan 0.000 0.465 1058 Y N 2.820 123.104 120.300 -0.027 0.000 2.317 1058 Y HA 0.575 5.123 4.550 -0.002 0.000 0.325 1058 Y C 0.982 176.895 175.900 0.023 0.000 1.066 1058 Y CA -0.214 57.900 58.100 0.022 0.000 1.203 1058 Y CB 1.487 39.995 38.460 0.080 0.000 1.127 1058 Y HN 1.194 nan 8.280 nan 0.000 0.451 1059 G N 2.203 111.082 108.800 0.132 0.000 2.574 1059 G HA2 -0.388 3.570 3.960 -0.002 0.000 0.286 1059 G HA3 -0.388 3.570 3.960 -0.002 0.000 0.286 1059 G C 0.882 175.810 174.900 0.047 0.000 1.212 1059 G CA 0.550 45.701 45.100 0.084 0.000 0.979 1059 G HN 0.727 nan 8.290 nan 0.000 0.557 1060 D N 0.497 120.914 120.400 0.029 0.000 2.378 1060 D HA 0.042 4.681 4.640 -0.002 0.000 0.222 1060 D C 1.022 177.316 176.300 -0.009 0.000 0.980 1060 D CA 1.324 55.322 54.000 -0.003 0.000 0.907 1060 D CB -0.241 40.543 40.800 -0.027 0.000 0.899 1060 D HN 0.693 nan 8.370 nan 0.000 0.527 1061 I N -1.523 119.049 120.570 0.004 0.000 2.785 1061 I HA 0.481 4.649 4.170 -0.002 0.000 0.302 1061 I C -1.165 174.975 176.117 0.038 0.000 1.069 1061 I CA -1.118 60.168 61.300 -0.024 0.000 1.045 1061 I CB 2.294 40.235 38.000 -0.098 0.000 1.236 1061 I HN -0.123 nan 8.210 nan 0.000 0.429 1062 E N 4.675 124.876 120.200 0.001 0.000 2.275 1062 E HA 0.646 4.995 4.350 -0.002 0.000 0.270 1062 E C -0.976 175.597 176.600 -0.045 0.000 0.882 1062 E CA -1.046 55.341 56.400 -0.022 0.000 0.758 1062 E CB 2.253 31.925 29.700 -0.045 0.000 1.195 1062 E HN 0.810 nan 8.360 nan 0.000 0.419 1063 V N 0.125 119.977 119.914 -0.103 0.000 3.369 1063 V HA 0.697 4.816 4.120 -0.002 0.000 0.309 1063 V C -0.501 175.587 176.094 -0.010 0.000 1.069 1063 V CA -0.290 61.924 62.300 -0.143 0.000 1.042 1063 V CB 1.488 33.031 31.823 -0.466 0.000 1.192 1063 V HN 0.919 nan 8.190 nan 0.000 0.447 1064 D N 0.582 121.024 120.400 0.070 0.000 2.266 1064 D HA 0.195 4.834 4.640 -0.002 0.000 0.218 1064 D C -0.911 175.371 176.300 -0.030 0.000 1.311 1064 D CA -0.279 53.735 54.000 0.023 0.000 0.918 1064 D CB 0.786 41.585 40.800 -0.002 0.000 1.530 1064 D HN 1.039 nan 8.370 nan 0.000 0.514 1065 L N 2.920 124.073 121.223 -0.116 0.000 2.513 1065 L HA 0.313 4.652 4.340 -0.002 0.000 0.272 1065 L C 0.514 177.225 176.870 -0.265 0.000 1.187 1065 L CA 0.225 54.807 54.840 -0.431 0.000 0.895 1065 L CB 0.701 42.509 42.059 -0.418 0.000 1.147 1065 L HN 0.262 nan 8.230 nan 0.000 0.483 1066 K N 2.263 122.489 120.400 -0.290 0.000 2.262 1066 K HA 0.289 4.607 4.320 -0.002 0.000 0.200 1066 K C -0.475 176.019 176.600 -0.175 0.000 1.058 1066 K CA 0.644 56.822 56.287 -0.182 0.000 0.974 1066 K CB 0.482 32.893 32.500 -0.149 0.000 0.910 1066 K HN 0.746 nan 8.250 nan 0.000 0.484 1067 D N -0.918 119.346 120.400 -0.227 0.000 2.645 1067 D HA 0.307 4.946 4.640 -0.002 0.000 0.228 1067 D C -1.041 175.129 176.300 -0.217 0.000 1.148 1067 D CA -0.347 53.547 54.000 -0.177 0.000 0.860 1067 D CB 2.417 43.132 40.800 -0.142 0.000 1.548 1067 D HN -0.205 nan 8.370 nan 0.000 0.460 1068 T N 1.020 115.479 114.554 -0.158 0.000 3.089 1068 T HA 0.240 4.588 4.350 -0.002 0.000 0.340 1068 T C -1.227 173.406 174.700 -0.112 0.000 1.008 1068 T CA -0.756 61.250 62.100 -0.157 0.000 1.096 1068 T CB 0.847 69.642 68.868 -0.121 0.000 1.024 1068 T HN 0.132 nan 8.240 nan 0.000 0.477 1069 D N 2.993 123.325 120.400 -0.114 0.000 2.373 1069 D HA 0.284 4.923 4.640 -0.002 0.000 0.227 1069 D C 0.039 176.266 176.300 -0.122 0.000 1.091 1069 D CA -0.362 53.581 54.000 -0.095 0.000 0.840 1069 D CB 1.463 42.221 40.800 -0.071 0.000 1.060 1069 D HN 0.257 nan 8.370 nan 0.000 0.502 1070 K N 0.943 121.275 120.400 -0.115 0.000 2.138 1070 K HA 0.505 4.823 4.320 -0.002 0.000 0.263 1070 K C -0.259 176.238 176.600 -0.172 0.000 0.965 1070 K CA -0.549 55.655 56.287 -0.138 0.000 0.868 1070 K CB 2.032 34.481 32.500 -0.084 0.000 1.083 1070 K HN 0.259 nan 8.250 nan 0.000 0.443 1071 S N 0.059 115.611 115.700 -0.248 0.000 2.595 1071 S HA 0.135 4.604 4.470 -0.002 0.000 0.281 1071 S C 0.986 175.492 174.600 -0.156 0.000 1.117 1071 S CA -0.553 57.506 58.200 -0.235 0.000 0.873 1071 S CB 1.404 64.355 63.200 -0.416 0.000 1.108 1071 S HN 0.647 nan 8.310 nan 0.000 0.477 1072 S N 1.662 117.310 115.700 -0.086 0.000 2.440 1072 S HA -0.152 4.317 4.470 -0.002 0.000 0.240 1072 S C 1.508 176.093 174.600 -0.025 0.000 1.014 1072 S CA 2.053 60.227 58.200 -0.042 0.000 0.980 1072 S CB -1.177 62.014 63.200 -0.015 0.000 0.775 1072 S HN 0.905 nan 8.310 nan 0.000 0.499 1073 T N -1.171 113.381 114.554 -0.003 0.000 3.082 1073 T HA 0.328 4.676 4.350 -0.002 0.000 0.235 1073 T C 0.599 175.394 174.700 0.158 0.000 0.991 1073 T CA 0.247 62.419 62.100 0.119 0.000 1.220 1073 T CB -0.520 68.551 68.868 0.339 0.000 0.909 1073 T HN 0.674 nan 8.240 nan 0.000 0.424 1074 Y N 1.113 121.500 120.300 0.147 0.000 2.634 1074 Y HA 0.771 5.320 4.550 -0.002 0.000 0.340 1074 Y C -0.681 175.285 175.900 0.110 0.000 1.058 1074 Y CA -1.235 56.973 58.100 0.179 0.000 1.081 1074 Y CB 1.417 40.089 38.460 0.353 0.000 1.295 1074 Y HN 0.204 nan 8.280 nan 0.000 0.487 1075 T N 1.094 115.715 114.554 0.113 0.000 2.861 1075 T HA 0.606 4.954 4.350 -0.002 0.000 0.287 1075 T C -1.606 173.138 174.700 0.073 0.000 1.003 1075 T CA -0.716 61.359 62.100 -0.043 0.000 0.977 1075 T CB 1.311 70.151 68.868 -0.046 0.000 0.996 1075 T HN 1.090 nan 8.240 nan 0.000 0.448 1076 L N 3.110 124.317 121.223 -0.026 0.000 2.313 1076 L HA 0.782 5.120 4.340 -0.002 0.000 0.283 1076 L C -0.536 176.229 176.870 -0.175 0.000 1.013 1076 L CA -0.588 54.166 54.840 -0.142 0.000 0.816 1076 L CB 1.305 43.246 42.059 -0.196 0.000 1.236 1076 L HN 0.735 nan 8.230 nan 0.000 0.419 1077 R N 4.322 124.714 120.500 -0.181 0.000 2.437 1077 R HA 0.672 5.010 4.340 -0.002 0.000 0.310 1077 R C -1.268 174.922 176.300 -0.183 0.000 0.955 1077 R CA -0.971 54.981 56.100 -0.248 0.000 0.851 1077 R CB 2.089 32.182 30.300 -0.344 0.000 1.161 1077 R HN 0.535 nan 8.270 nan 0.000 0.446 1078 V N 4.752 124.481 119.914 -0.308 0.000 2.383 1078 V HA 0.380 4.499 4.120 -0.002 0.000 0.275 1078 V C -0.439 175.463 176.094 -0.320 0.000 1.036 1078 V CA -0.374 61.764 62.300 -0.269 0.000 0.889 1078 V CB 0.388 32.017 31.823 -0.323 0.000 0.985 1078 V HN 0.501 nan 8.190 nan 0.000 0.459 1079 F N 2.219 122.104 119.950 -0.109 0.000 2.483 1079 F HA 0.606 5.131 4.527 -0.002 0.000 0.329 1079 F C 0.456 176.220 175.800 -0.061 0.000 1.064 1079 F CA -0.980 56.999 58.000 -0.035 0.000 0.986 1079 F CB 1.508 40.559 39.000 0.085 0.000 1.218 1079 F HN 0.378 nan 8.300 nan 0.000 0.484 1080 E N 1.833 122.111 120.200 0.131 0.000 2.224 1080 E HA 0.513 4.861 4.350 -0.002 0.000 0.265 1080 E C -1.461 175.195 176.600 0.093 0.000 0.878 1080 E CA -0.508 55.931 56.400 0.066 0.000 0.759 1080 E CB 1.703 31.410 29.700 0.010 0.000 1.164 1080 E HN 0.452 nan 8.360 nan 0.000 0.414 1081 L N 3.560 124.845 121.223 0.103 0.000 2.334 1081 L HA 0.655 4.993 4.340 -0.002 0.000 0.276 1081 L C -0.015 176.931 176.870 0.127 0.000 1.014 1081 L CA -0.638 54.281 54.840 0.132 0.000 0.815 1081 L CB 1.610 43.808 42.059 0.232 0.000 1.268 1081 L HN 0.439 nan 8.230 nan 0.000 0.428 1082 R N 0.475 121.015 120.500 0.066 0.000 2.692 1082 R HA 0.471 4.809 4.340 -0.002 0.000 0.269 1082 R C -1.717 174.529 176.300 -0.090 0.000 1.030 1082 R CA -0.948 55.135 56.100 -0.028 0.000 0.882 1082 R CB 2.574 32.896 30.300 0.036 0.000 1.250 1082 R HN 0.703 nan 8.270 nan 0.000 0.465 1083 H N -1.473 117.566 119.070 -0.052 0.000 2.834 1083 H HA 0.343 4.898 4.556 -0.002 0.000 0.369 1083 H C 0.601 175.897 175.328 -0.054 0.000 1.174 1083 H CA -1.058 54.920 56.048 -0.116 0.000 1.165 1083 H CB 1.126 30.740 29.762 -0.247 0.000 1.820 1083 H HN 0.481 nan 8.280 nan 0.000 0.558 1084 S N -0.424 115.326 115.700 0.084 0.000 2.448 1084 S HA -0.259 4.210 4.470 -0.002 0.000 0.247 1084 S C 1.156 175.756 174.600 0.001 0.000 1.033 1084 S CA 1.717 59.928 58.200 0.019 0.000 1.003 1084 S CB -0.484 62.703 63.200 -0.023 0.000 0.786 1084 S HN 0.612 nan 8.310 nan 0.000 0.495 1085 K N 1.441 121.805 120.400 -0.061 0.000 3.277 1085 K HA 0.108 4.426 4.320 -0.002 0.000 0.280 1085 K C 0.365 177.041 176.600 0.127 0.000 1.182 1085 K CA -0.354 55.878 56.287 -0.090 0.000 1.219 1085 K CB -0.093 32.153 32.500 -0.423 0.000 1.373 1085 K HN 0.324 nan 8.250 nan 0.000 0.392 1086 R N 0.911 121.487 120.500 0.127 0.000 2.906 1086 R HA -0.174 4.164 4.340 -0.002 0.000 0.284 1086 R C 0.100 176.469 176.300 0.114 0.000 0.964 1086 R CA 0.736 56.910 56.100 0.124 0.000 1.151 1086 R CB 0.027 30.369 30.300 0.069 0.000 1.082 1086 R HN 0.162 nan 8.270 nan 0.000 0.473 1087 K N 0.522 120.975 120.400 0.089 0.000 3.372 1087 K HA -0.167 4.152 4.320 -0.002 0.000 0.272 1087 K C -0.606 176.052 176.600 0.098 0.000 1.037 1087 K CA 1.481 57.812 56.287 0.074 0.000 0.777 1087 K CB -1.309 31.226 32.500 0.058 0.000 1.347 1087 K HN 0.889 nan 8.250 nan 0.000 0.460 1088 D N -3.221 117.244 120.400 0.109 0.000 2.249 1088 D HA -0.003 4.635 4.640 -0.002 0.000 0.371 1088 D C -0.231 176.118 176.300 0.082 0.000 1.055 1088 D CA 0.035 54.109 54.000 0.123 0.000 0.897 1088 D CB -0.013 40.926 40.800 0.232 0.000 1.466 1088 D HN 0.061 nan 8.370 nan 0.000 0.516 1089 S N 1.022 116.763 115.700 0.068 0.000 4.357 1089 S HA -0.178 4.291 4.470 -0.002 0.000 0.524 1089 S C 0.144 174.766 174.600 0.037 0.000 1.014 1089 S CA 0.233 58.464 58.200 0.051 0.000 1.149 1089 S CB -0.497 62.726 63.200 0.037 0.000 0.837 1089 S HN 0.227 nan 8.310 nan 0.000 0.497 1090 R N 3.310 123.829 120.500 0.032 0.000 2.229 1090 R HA 0.230 4.569 4.340 -0.002 0.000 0.332 1090 R C 0.268 176.579 176.300 0.019 0.000 0.989 1090 R CA -0.332 55.763 56.100 -0.009 0.000 0.842 1090 R CB 1.376 31.603 30.300 -0.122 0.000 1.119 1090 R HN 0.590 nan 8.270 nan 0.000 0.456 1091 T N 2.469 117.033 114.554 0.016 0.000 2.814 1091 T HA 0.260 4.608 4.350 -0.002 0.000 0.297 1091 T C -0.271 174.448 174.700 0.032 0.000 0.956 1091 T CA -0.337 61.756 62.100 -0.012 0.000 1.123 1091 T CB 0.347 69.168 68.868 -0.078 0.000 0.902 1091 T HN 0.180 nan 8.240 nan 0.000 0.528 1092 V N 7.146 127.099 119.914 0.064 0.000 2.483 1092 V HA 0.396 4.514 4.120 -0.002 0.000 0.297 1092 V C -1.020 175.200 176.094 0.210 0.000 1.027 1092 V CA -1.020 61.388 62.300 0.179 0.000 0.855 1092 V CB 1.086 33.024 31.823 0.191 0.000 0.995 1092 V HN 0.837 nan 8.190 nan 0.000 0.424 1093 Y N 2.893 123.293 120.300 0.166 0.000 2.308 1093 Y HA 0.561 5.110 4.550 -0.002 0.000 0.329 1093 Y C 0.436 176.424 175.900 0.147 0.000 1.111 1093 Y CA -0.432 57.752 58.100 0.140 0.000 1.179 1093 Y CB 0.957 39.498 38.460 0.135 0.000 1.201 1093 Y HN 0.599 nan 8.280 nan 0.000 0.483 1094 Q N 3.022 122.962 119.800 0.233 0.000 2.337 1094 Q HA 0.401 4.740 4.340 -0.002 0.000 0.270 1094 Q C -2.131 173.874 176.000 0.008 0.000 1.043 1094 Q CA -0.799 55.117 55.803 0.189 0.000 0.794 1094 Q CB 1.295 30.174 28.738 0.236 0.000 1.281 1094 Q HN 0.775 nan 8.270 nan 0.000 0.446 1095 Y N 1.512 121.883 120.300 0.119 0.000 2.377 1095 Y HA 0.294 4.843 4.550 -0.002 0.000 0.339 1095 Y C -0.301 175.659 175.900 0.100 0.000 1.011 1095 Y CA -0.559 57.620 58.100 0.132 0.000 1.093 1095 Y CB 2.163 40.640 38.460 0.029 0.000 1.201 1095 Y HN 0.559 nan 8.280 nan 0.000 0.455 1096 Q N 3.430 123.406 119.800 0.294 0.000 2.394 1096 Q HA 0.252 4.590 4.340 -0.002 0.000 0.261 1096 Q C -1.913 174.274 176.000 0.312 0.000 1.023 1096 Q CA -0.858 55.071 55.803 0.209 0.000 0.720 1096 Q CB 0.819 29.616 28.738 0.099 0.000 1.241 1096 Q HN 0.737 nan 8.270 nan 0.000 0.483 1097 Y N 3.532 123.923 120.300 0.151 0.000 2.480 1097 Y HA 0.131 4.680 4.550 -0.002 0.000 0.341 1097 Y C 0.708 176.714 175.900 0.177 0.000 1.031 1097 Y CA 0.658 58.878 58.100 0.199 0.000 1.295 1097 Y CB 1.013 39.594 38.460 0.200 0.000 1.162 1097 Y HN 0.681 nan 8.280 nan 0.000 0.523 1098 T N 2.875 117.311 114.554 -0.197 0.000 2.755 1098 T HA -0.118 4.231 4.350 -0.002 0.000 0.251 1098 T C 0.963 175.531 174.700 -0.219 0.000 1.044 1098 T CA 0.463 62.474 62.100 -0.148 0.000 1.154 1098 T CB -0.205 68.596 68.868 -0.112 0.000 0.866 1098 T HN 0.550 nan 8.240 nan 0.000 0.416 1099 N N 1.428 119.859 118.700 -0.448 0.000 2.905 1099 N HA -0.110 4.628 4.740 -0.002 0.000 0.310 1099 N C -1.216 174.293 175.510 -0.002 0.000 1.342 1099 N CA 0.603 53.471 53.050 -0.303 0.000 1.115 1099 N CB -0.494 37.735 38.487 -0.430 0.000 1.416 1099 N HN 0.440 nan 8.380 nan 0.000 0.577 1100 W N 0.517 121.750 121.300 -0.111 0.000 2.275 1100 W HA 0.150 4.809 4.660 -0.002 0.000 0.285 1100 W C -0.987 175.535 176.519 0.004 0.000 1.057 1100 W CA -1.036 56.316 57.345 0.011 0.000 0.978 1100 W CB -0.459 29.095 29.460 0.157 0.000 0.807 1100 W HN -0.249 nan 8.180 nan 0.000 0.254 1101 S N 1.659 117.500 115.700 0.235 0.000 2.584 1101 S HA 0.193 4.662 4.470 -0.002 0.000 0.273 1101 S C 1.030 175.644 174.600 0.024 0.000 1.311 1101 S CA -0.145 58.101 58.200 0.077 0.000 1.034 1101 S CB 1.740 64.995 63.200 0.092 0.000 0.939 1101 S HN 0.725 nan 8.310 nan 0.000 0.513 1102 V N -0.003 119.888 119.914 -0.037 0.000 3.546 1102 V HA 0.012 4.131 4.120 -0.002 0.000 0.272 1102 V C 0.740 176.848 176.094 0.022 0.000 1.228 1102 V CA 1.134 63.396 62.300 -0.062 0.000 1.184 1102 V CB -1.255 30.533 31.823 -0.057 0.000 0.886 1102 V HN 0.695 nan 8.190 nan 0.000 0.508 1103 E N 0.856 121.098 120.200 0.069 0.000 2.101 1103 E HA 0.152 4.501 4.350 -0.002 0.000 0.194 1103 E C 1.288 177.942 176.600 0.090 0.000 0.950 1103 E CA 0.804 57.251 56.400 0.078 0.000 0.917 1103 E CB -0.234 29.521 29.700 0.092 0.000 0.963 1103 E HN 0.852 nan 8.360 nan 0.000 0.476 1104 Q N 0.305 120.172 119.800 0.111 0.000 2.306 1104 Q HA 0.429 4.767 4.340 -0.002 0.000 0.175 1104 Q C -0.192 175.900 176.000 0.153 0.000 1.107 1104 Q CA -0.161 55.700 55.803 0.098 0.000 1.170 1104 Q CB 0.265 29.049 28.738 0.077 0.000 1.376 1104 Q HN 0.110 nan 8.270 nan 0.000 0.618 1105 L N -0.848 120.395 121.223 0.033 0.000 2.257 1105 L HA 0.525 4.864 4.340 -0.002 0.000 0.257 1105 L C -2.324 174.324 176.870 -0.371 0.000 1.033 1105 L CA -2.986 51.777 54.840 -0.129 0.000 0.835 1105 L CB 2.291 44.036 42.059 -0.524 0.000 1.398 1105 L HN 0.461 nan 8.230 nan 0.000 0.429 1106 P HA -0.109 nan 4.420 nan 0.000 0.253 1106 P C -0.131 177.038 177.300 -0.218 0.000 1.159 1106 P CA 0.456 63.196 63.100 -0.601 0.000 0.779 1106 P CB 0.530 31.886 31.700 -0.574 0.000 0.745 1107 A N 5.228 127.999 122.820 -0.083 0.000 1.877 1107 A HA -0.157 4.162 4.320 -0.002 0.000 0.216 1107 A C 0.891 178.482 177.584 0.011 0.000 1.186 1107 A CA 1.474 53.498 52.037 -0.021 0.000 0.620 1107 A CB -0.312 18.690 19.000 0.002 0.000 0.822 1107 A HN 0.498 nan 8.150 nan 0.000 0.443 1108 E N -0.833 119.394 120.200 0.044 0.000 3.167 1108 E HA 0.254 4.603 4.350 -0.002 0.000 0.212 1108 E C -2.286 174.362 176.600 0.079 0.000 1.143 1108 E CA -1.828 54.610 56.400 0.064 0.000 1.002 1108 E CB 0.466 30.210 29.700 0.073 0.000 1.315 1108 E HN 0.239 nan 8.360 nan 0.000 0.422 1109 P HA -0.327 nan 4.420 nan 0.000 0.219 1109 P C 1.561 178.859 177.300 -0.005 0.000 1.161 1109 P CA 2.105 65.238 63.100 0.055 0.000 0.909 1109 P CB 0.111 31.882 31.700 0.119 0.000 0.793 1110 K N 0.573 120.973 120.400 -0.001 0.000 2.189 1110 K HA -0.274 4.045 4.320 -0.002 0.000 0.207 1110 K C 1.843 178.429 176.600 -0.024 0.000 1.046 1110 K CA 2.363 58.635 56.287 -0.025 0.000 0.928 1110 K CB -0.805 31.690 32.500 -0.008 0.000 0.720 1110 K HN 0.372 nan 8.250 nan 0.000 0.458 1111 E N 0.769 120.984 120.200 0.025 0.000 2.318 1111 E HA -0.076 4.272 4.350 -0.002 0.000 0.193 1111 E C 2.224 178.813 176.600 -0.017 0.000 0.998 1111 E CA 0.080 56.518 56.400 0.063 0.000 0.859 1111 E CB -0.156 29.647 29.700 0.172 0.000 0.812 1111 E HN 0.279 nan 8.360 nan 0.000 0.492 1112 L N 1.317 122.470 121.223 -0.117 0.000 2.141 1112 L HA -0.089 4.250 4.340 -0.002 0.000 0.209 1112 L C 2.036 178.731 176.870 -0.293 0.000 1.094 1112 L CA 1.148 55.726 54.840 -0.437 0.000 0.763 1112 L CB -0.411 41.410 42.059 -0.396 0.000 0.908 1112 L HN 0.242 nan 8.230 nan 0.000 0.437 1113 I N -0.013 120.436 120.570 -0.201 0.000 2.252 1113 I HA -0.151 4.017 4.170 -0.002 0.000 0.245 1113 I C 1.665 177.673 176.117 -0.182 0.000 1.102 1113 I CA 0.460 61.639 61.300 -0.202 0.000 1.385 1113 I CB -1.008 36.889 38.000 -0.172 0.000 1.064 1113 I HN 0.236 nan 8.210 nan 0.000 0.414 1117 Q N 1.350 121.028 119.800 -0.205 0.000 1.942 1117 Q HA -0.154 4.184 4.340 -0.002 0.000 0.203 1117 Q C 2.345 178.235 176.000 -0.184 0.000 0.987 1117 Q CA 2.244 57.949 55.803 -0.163 0.000 0.844 1117 Q CB -0.569 28.096 28.738 -0.123 0.000 0.911 1117 Q HN 0.455 nan 8.270 nan 0.000 0.423 1118 V N 0.974 120.762 119.914 -0.210 0.000 2.324 1118 V HA -0.238 3.881 4.120 -0.002 0.000 0.250 1118 V C 2.339 178.212 176.094 -0.368 0.000 1.060 1118 V CA 1.842 64.005 62.300 -0.228 0.000 1.042 1118 V CB -0.464 31.246 31.823 -0.188 0.000 0.650 1118 V HN 0.188 nan 8.190 nan 0.000 0.450 1119 V N 0.191 119.795 119.914 -0.517 0.000 2.233 1119 V HA -0.295 3.823 4.120 -0.002 0.000 0.247 1119 V C 2.557 178.489 176.094 -0.270 0.000 1.050 1119 V CA 2.701 64.691 62.300 -0.517 0.000 1.010 1119 V CB -0.922 30.670 31.823 -0.385 0.000 0.637 1119 V HN 0.622 nan 8.190 nan 0.000 0.444 1120 K N 0.055 120.335 120.400 -0.201 0.000 2.209 1120 K HA -0.225 4.094 4.320 -0.002 0.000 0.204 1120 K C 2.169 178.695 176.600 -0.123 0.000 1.048 1120 K CA 1.531 57.738 56.287 -0.133 0.000 0.940 1120 K CB -0.105 32.328 32.500 -0.111 0.000 0.729 1120 K HN 0.635 nan 8.250 nan 0.000 0.451 1121 Q N 0.175 119.892 119.800 -0.138 0.000 2.451 1121 Q HA -0.093 4.246 4.340 -0.002 0.000 0.206 1121 Q C 1.024 176.950 176.000 -0.124 0.000 0.947 1121 Q CA 0.957 56.694 55.803 -0.110 0.000 0.937 1121 Q CB 0.365 29.049 28.738 -0.091 0.000 1.025 1121 Q HN -0.029 nan 8.270 nan 0.000 0.511 1122 K N 0.177 120.474 120.400 -0.171 0.000 2.358 1122 K HA 0.304 4.622 4.320 -0.002 0.000 0.197 1122 K C -0.165 176.320 176.600 -0.193 0.000 1.025 1122 K CA 0.026 56.173 56.287 -0.235 0.000 1.104 1122 K CB 0.404 32.697 32.500 -0.346 0.000 0.855 1122 K HN 0.145 nan 8.250 nan 0.000 0.531 1123 L N 2.340 123.484 121.223 -0.130 0.000 2.309 1123 L HA 0.452 4.790 4.340 -0.002 0.000 0.282 1123 L C -2.225 174.602 176.870 -0.072 0.000 1.036 1123 L CA -2.199 52.589 54.840 -0.087 0.000 0.806 1123 L CB 1.370 43.388 42.059 -0.068 0.000 1.220 1123 L HN -0.035 nan 8.230 nan 0.000 0.429 1124 P HA 0.208 nan 4.420 nan 0.000 0.288 1124 P C -0.934 176.331 177.300 -0.058 0.000 1.363 1124 P CA -0.770 62.298 63.100 -0.052 0.000 0.837 1124 P CB 0.917 32.596 31.700 -0.035 0.000 0.981 1125 Q N 3.564 123.317 119.800 -0.078 0.000 2.247 1125 Q HA 0.027 4.366 4.340 -0.002 0.000 0.288 1125 Q C -0.009 175.927 176.000 -0.108 0.000 1.079 1125 Q CA 0.830 56.569 55.803 -0.107 0.000 0.932 1125 Q CB -0.152 28.494 28.738 -0.153 0.000 1.133 1125 Q HN 0.279 nan 8.270 nan 0.000 0.377 1126 K N 2.460 122.801 120.400 -0.097 0.000 4.215 1126 K HA -0.266 4.052 4.320 -0.002 0.000 0.318 1126 K C -0.207 176.365 176.600 -0.047 0.000 1.077 1126 K CA 0.330 56.570 56.287 -0.078 0.000 0.979 1126 K CB -1.335 31.095 32.500 -0.117 0.000 1.497 1126 K HN 0.852 nan 8.250 nan 0.000 0.436 1139 P HA 0.158 nan 4.420 nan 0.000 0.217 1139 P C 0.396 177.679 177.300 -0.028 0.000 1.151 1139 P CA 0.155 63.242 63.100 -0.023 0.000 0.828 1139 P CB 0.239 31.930 31.700 -0.015 0.000 0.788 1140 L N -1.075 120.134 121.223 -0.023 0.000 2.322 1140 L HA 0.607 4.946 4.340 -0.002 0.000 0.269 1140 L C -1.050 175.788 176.870 -0.052 0.000 1.012 1140 L CA -0.796 54.031 54.840 -0.021 0.000 0.815 1140 L CB 1.550 43.615 42.059 0.010 0.000 1.295 1140 L HN -0.242 nan 8.230 nan 0.000 0.438 1141 L N 4.481 125.670 121.223 -0.056 0.000 2.493 1141 L HA 0.618 4.957 4.340 -0.002 0.000 0.265 1141 L C -1.702 175.138 176.870 -0.050 0.000 0.954 1141 L CA -0.347 54.442 54.840 -0.085 0.000 0.844 1141 L CB 1.756 43.716 42.059 -0.164 0.000 1.302 1141 L HN 0.611 nan 8.230 nan 0.000 0.405 1142 I N 3.751 124.299 120.570 -0.036 0.000 2.498 1142 I HA 0.460 4.628 4.170 -0.002 0.000 0.290 1142 I C -0.979 175.121 176.117 -0.030 0.000 1.032 1142 I CA -0.542 60.708 61.300 -0.084 0.000 1.073 1142 I CB 1.873 39.847 38.000 -0.042 0.000 1.251 1142 I HN 0.686 nan 8.210 nan 0.000 0.426 1143 H N 4.200 123.223 119.070 -0.078 0.000 2.977 1143 H HA 0.898 5.453 4.556 -0.002 0.000 0.350 1143 H C -0.849 174.418 175.328 -0.101 0.000 1.238 1143 H CA -1.170 54.831 56.048 -0.078 0.000 1.124 1143 H CB 1.849 31.576 29.762 -0.058 0.000 1.866 1143 H HN 0.854 nan 8.280 nan 0.000 0.550 1144 C N -0.482 118.914 119.300 0.161 0.000 3.249 1144 C HA 0.465 4.923 4.460 -0.002 0.000 0.350 1144 C C 1.528 176.527 174.990 0.014 0.000 1.431 1144 C CA -0.879 58.174 59.018 0.058 0.000 1.209 1144 C CB 1.056 28.724 27.740 -0.121 0.000 1.546 1144 C HN 1.135 nan 8.230 nan 0.000 0.450 1145 R N 1.410 121.896 120.500 -0.024 0.000 2.271 1145 R HA -0.275 4.064 4.340 -0.002 0.000 0.235 1145 R C 1.262 177.529 176.300 -0.055 0.000 1.112 1145 R CA 2.984 59.059 56.100 -0.042 0.000 0.886 1145 R CB -0.715 29.561 30.300 -0.041 0.000 0.934 1145 R HN 0.992 nan 8.270 nan 0.000 0.420 1146 D N -2.233 118.137 120.400 -0.049 0.000 2.379 1146 D HA 0.128 4.766 4.640 -0.002 0.000 0.208 1146 D C 0.884 177.160 176.300 -0.041 0.000 1.065 1146 D CA 0.561 54.535 54.000 -0.044 0.000 0.848 1146 D CB 0.524 41.306 40.800 -0.031 0.000 0.949 1146 D HN 0.496 nan 8.370 nan 0.000 0.509 1147 G N -0.624 108.153 108.800 -0.038 0.000 2.198 1147 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.257 1147 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.257 1147 G C 0.804 175.692 174.900 -0.020 0.000 1.042 1147 G CA 0.556 45.641 45.100 -0.025 0.000 0.791 1147 G HN 0.390 nan 8.290 nan 0.000 0.502 1148 S N -1.642 114.044 115.700 -0.024 0.000 3.102 1148 S HA 0.105 4.574 4.470 -0.002 0.000 0.265 1148 S C 1.628 176.225 174.600 -0.006 0.000 1.072 1148 S CA 0.973 59.172 58.200 -0.001 0.000 0.946 1148 S CB -0.076 63.127 63.200 0.005 0.000 0.901 1148 S HN 0.439 nan 8.310 nan 0.000 0.437 1149 Q N 2.506 122.284 119.800 -0.036 0.000 1.943 1149 Q HA -0.233 4.106 4.340 -0.002 0.000 0.213 1149 Q C 1.864 177.807 176.000 -0.096 0.000 1.017 1149 Q CA 2.690 58.457 55.803 -0.058 0.000 0.874 1149 Q CB -0.234 28.445 28.738 -0.099 0.000 0.960 1149 Q HN 0.670 nan 8.270 nan 0.000 0.417 1150 Q N -2.326 117.326 119.800 -0.247 0.000 2.349 1150 Q HA 0.101 4.439 4.340 -0.002 0.000 0.209 1150 Q C 2.060 177.978 176.000 -0.137 0.000 0.920 1150 Q CA 1.023 56.555 55.803 -0.450 0.000 0.901 1150 Q CB 0.087 28.048 28.738 -1.296 0.000 1.021 1150 Q HN 0.287 nan 8.270 nan 0.000 0.519 1151 T N 1.622 116.117 114.554 -0.100 0.000 2.822 1151 T HA -0.161 4.187 4.350 -0.002 0.000 0.270 1151 T C 1.832 176.612 174.700 0.133 0.000 1.064 1151 T CA 1.473 63.591 62.100 0.029 0.000 1.131 1151 T CB -0.485 68.379 68.868 -0.007 0.000 0.858 1151 T HN 0.603 nan 8.240 nan 0.000 0.483 1152 G N 1.880 110.741 108.800 0.102 0.000 2.414 1152 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.215 1152 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.215 1152 G C 1.416 176.415 174.900 0.166 0.000 1.188 1152 G CA 0.397 45.565 45.100 0.114 0.000 0.783 1152 G HN 0.410 nan 8.290 nan 0.000 0.537 1153 I N 0.154 120.879 120.570 0.258 0.000 2.335 1153 I HA -0.091 4.078 4.170 -0.002 0.000 0.251 1153 I C 2.380 178.684 176.117 0.311 0.000 1.129 1153 I CA 0.758 62.257 61.300 0.333 0.000 1.402 1153 I CB -1.130 37.237 38.000 0.611 0.000 1.069 1153 I HN 0.105 nan 8.210 nan 0.000 0.424 1154 F N 1.477 121.567 119.950 0.234 0.000 2.074 1154 F HA -0.211 4.315 4.527 -0.002 0.000 0.293 1154 F C 2.813 178.636 175.800 0.037 0.000 1.116 1154 F CA 1.624 59.710 58.000 0.144 0.000 1.212 1154 F CB -0.503 38.589 39.000 0.153 0.000 0.998 1154 F HN 0.055 nan 8.300 nan 0.000 0.471 1155 C N 0.450 119.863 119.300 0.189 0.000 2.398 1155 C HA -0.218 4.241 4.460 -0.002 0.000 0.276 1155 C C 3.124 178.090 174.990 -0.041 0.000 1.222 1155 C CA 1.195 60.249 59.018 0.061 0.000 1.746 1155 C CB -1.861 25.928 27.740 0.083 0.000 2.039 1155 C HN 0.620 nan 8.230 nan 0.000 0.470 1156 A N -0.004 122.797 122.820 -0.030 0.000 1.908 1156 A HA -0.154 4.165 4.320 -0.002 0.000 0.218 1156 A C 2.168 179.649 177.584 -0.172 0.000 1.181 1156 A CA 1.607 53.589 52.037 -0.092 0.000 0.627 1156 A CB -0.629 18.323 19.000 -0.079 0.000 0.818 1156 A HN 0.644 nan 8.150 nan 0.000 0.445 1157 L N -0.792 120.305 121.223 -0.211 0.000 2.056 1157 L HA -0.146 4.193 4.340 -0.002 0.000 0.207 1157 L C 2.582 179.266 176.870 -0.310 0.000 1.078 1157 L CA 0.958 55.619 54.840 -0.298 0.000 0.749 1157 L CB -0.433 41.406 42.059 -0.366 0.000 0.901 1157 L HN 0.412 nan 8.230 nan 0.000 0.433 1158 L N -0.399 120.627 121.223 -0.328 0.000 2.012 1158 L HA -0.252 4.087 4.340 -0.002 0.000 0.210 1158 L C 2.350 179.110 176.870 -0.183 0.000 1.073 1158 L CA 1.209 55.890 54.840 -0.265 0.000 0.748 1158 L CB -0.663 41.270 42.059 -0.210 0.000 0.891 1158 L HN 0.379 nan 8.230 nan 0.000 0.431 1159 N N 0.106 118.715 118.700 -0.150 0.000 2.142 1159 N HA -0.113 4.626 4.740 -0.002 0.000 0.186 1159 N C 1.936 177.288 175.510 -0.262 0.000 1.023 1159 N CA 1.177 54.147 53.050 -0.133 0.000 0.852 1159 N CB -0.237 38.213 38.487 -0.061 0.000 0.998 1159 N HN 0.300 nan 8.380 nan 0.000 0.424 1160 L N 0.454 121.522 121.223 -0.259 0.000 2.156 1160 L HA -0.011 4.327 4.340 -0.002 0.000 0.208 1160 L C 2.147 178.829 176.870 -0.313 0.000 1.095 1160 L CA 0.472 55.131 54.840 -0.302 0.000 0.770 1160 L CB -0.264 41.613 42.059 -0.303 0.000 0.914 1160 L HN 0.110 nan 8.230 nan 0.000 0.439 1161 L N -0.790 120.276 121.223 -0.261 0.000 2.109 1161 L HA -0.133 4.206 4.340 -0.002 0.000 0.207 1161 L C 2.716 179.457 176.870 -0.216 0.000 1.086 1161 L CA 0.833 55.561 54.840 -0.186 0.000 0.760 1161 L CB -0.345 41.616 42.059 -0.164 0.000 0.910 1161 L HN 0.255 nan 8.230 nan 0.000 0.437 1162 E N 0.109 120.122 120.200 -0.312 0.000 2.028 1162 E HA -0.183 4.166 4.350 -0.002 0.000 0.191 1162 E C 2.362 178.533 176.600 -0.714 0.000 0.988 1162 E CA 1.738 57.907 56.400 -0.385 0.000 0.799 1162 E CB -0.230 29.269 29.700 -0.334 0.000 0.755 1162 E HN 0.459 nan 8.360 nan 0.000 0.447 1163 S N 0.680 115.671 115.700 -1.182 0.000 2.447 1163 S HA 0.002 4.471 4.470 -0.002 0.000 0.233 1163 S C 2.117 176.449 174.600 -0.447 0.000 1.006 1163 S CA 0.975 58.585 58.200 -0.984 0.000 0.957 1163 S CB -0.045 62.697 63.200 -0.765 0.000 0.773 1163 S HN 0.232 nan 8.310 nan 0.000 0.507 1164 A N 1.466 124.048 122.820 -0.396 0.000 2.015 1164 A HA 0.005 4.324 4.320 -0.002 0.000 0.219 1164 A C 2.250 179.708 177.584 -0.210 0.000 1.163 1164 A CA 1.181 53.005 52.037 -0.356 0.000 0.646 1164 A CB -0.271 18.475 19.000 -0.423 0.000 0.806 1164 A HN 0.557 nan 8.150 nan 0.000 0.448 1165 E N -0.794 119.334 120.200 -0.119 0.000 2.162 1165 E HA -0.056 4.293 4.350 -0.002 0.000 0.193 1165 E C 1.991 178.601 176.600 0.016 0.000 0.953 1165 E CA 1.509 57.910 56.400 0.001 0.000 0.849 1165 E CB -0.588 29.135 29.700 0.038 0.000 0.810 1165 E HN 0.716 nan 8.360 nan 0.000 0.470 1166 T N -1.970 112.584 114.554 -0.000 0.000 3.129 1166 T HA 0.185 4.533 4.350 -0.002 0.000 0.251 1166 T C 1.243 175.964 174.700 0.036 0.000 1.117 1166 T CA 0.432 62.587 62.100 0.092 0.000 1.034 1166 T CB 0.235 69.260 68.868 0.261 0.000 0.968 1166 T HN 0.034 nan 8.240 nan 0.000 0.526 1167 E N 0.135 120.313 120.200 -0.035 0.000 2.641 1167 E HA 0.077 4.426 4.350 -0.002 0.000 0.201 1167 E C -0.082 176.491 176.600 -0.046 0.000 0.921 1167 E CA 0.124 56.513 56.400 -0.019 0.000 1.551 1167 E CB 0.739 30.429 29.700 -0.017 0.000 1.640 1167 E HN 0.517 nan 8.360 nan 0.000 0.906 1168 E N -0.016 120.118 120.200 -0.109 0.000 3.413 1168 E HA -0.163 4.186 4.350 -0.002 0.000 0.300 1168 E C -0.601 175.905 176.600 -0.157 0.000 0.891 1168 E CA 0.493 56.806 56.400 -0.146 0.000 1.050 1168 E CB -1.357 28.299 29.700 -0.073 0.000 1.534 1168 E HN 0.031 nan 8.360 nan 0.000 0.436 1169 V N 0.847 120.672 119.914 -0.148 0.000 2.680 1169 V HA 0.569 4.688 4.120 -0.002 0.000 0.309 1169 V C -0.520 175.471 176.094 -0.173 0.000 1.052 1169 V CA -0.669 61.555 62.300 -0.126 0.000 0.908 1169 V CB 2.164 33.956 31.823 -0.051 0.000 1.001 1169 V HN 0.018 nan 8.190 nan 0.000 0.431 1170 V N 4.811 124.622 119.914 -0.171 0.000 2.569 1170 V HA 0.471 4.590 4.120 -0.002 0.000 0.301 1170 V C -0.765 175.247 176.094 -0.136 0.000 1.044 1170 V CA -0.572 61.608 62.300 -0.200 0.000 0.874 1170 V CB 1.925 33.579 31.823 -0.282 0.000 1.002 1170 V HN 0.893 nan 8.190 nan 0.000 0.424 1171 D N 4.588 124.932 120.400 -0.093 0.000 2.551 1171 D HA 0.344 4.983 4.640 -0.002 0.000 0.294 1171 D C 1.105 177.369 176.300 -0.059 0.000 1.201 1171 D CA -0.233 53.759 54.000 -0.013 0.000 0.941 1171 D CB 0.897 41.756 40.800 0.099 0.000 0.995 1171 D HN 0.494 nan 8.370 nan 0.000 0.502 1172 I N 1.024 121.484 120.570 -0.183 0.000 2.248 1172 I HA -0.269 3.900 4.170 -0.002 0.000 0.248 1172 I C 2.074 178.126 176.117 -0.109 0.000 1.107 1172 I CA 0.984 62.100 61.300 -0.305 0.000 1.373 1172 I CB -0.270 37.290 38.000 -0.733 0.000 1.055 1172 I HN 0.285 nan 8.210 nan 0.000 0.418 1173 F N 1.512 121.452 119.950 -0.017 0.000 2.046 1173 F HA -0.280 4.246 4.527 -0.002 0.000 0.297 1173 F C 2.754 178.544 175.800 -0.017 0.000 1.123 1173 F CA 1.780 59.864 58.000 0.141 0.000 1.199 1173 F CB -0.248 38.850 39.000 0.164 0.000 0.972 1173 F HN 0.005 nan 8.300 nan 0.000 0.474 1174 Q N 0.050 119.911 119.800 0.102 0.000 2.124 1174 Q HA -0.138 4.201 4.340 -0.002 0.000 0.202 1174 Q C 2.500 178.434 176.000 -0.110 0.000 0.977 1174 Q CA 1.560 57.307 55.803 -0.093 0.000 0.850 1174 Q CB -0.852 27.752 28.738 -0.223 0.000 0.901 1174 Q HN 0.390 nan 8.270 nan 0.000 0.429 1175 V N 0.321 120.186 119.914 -0.080 0.000 2.343 1175 V HA -0.205 3.914 4.120 -0.002 0.000 0.247 1175 V C 2.399 178.429 176.094 -0.107 0.000 1.051 1175 V CA 1.417 63.665 62.300 -0.087 0.000 1.036 1175 V CB -0.482 31.273 31.823 -0.113 0.000 0.654 1175 V HN 0.104 nan 8.190 nan 0.000 0.451 1176 V N -0.193 119.645 119.914 -0.127 0.000 2.591 1176 V HA -0.174 3.945 4.120 -0.002 0.000 0.249 1176 V C 2.324 178.327 176.094 -0.152 0.000 1.053 1176 V CA 1.876 64.117 62.300 -0.098 0.000 1.068 1176 V CB -0.619 31.200 31.823 -0.007 0.000 0.689 1176 V HN 0.558 nan 8.190 nan 0.000 0.462 1177 K N 0.722 120.963 120.400 -0.265 0.000 2.283 1177 K HA -0.110 4.208 4.320 -0.002 0.000 0.202 1177 K C 2.020 178.459 176.600 -0.269 0.000 1.048 1177 K CA 1.354 57.467 56.287 -0.289 0.000 0.948 1177 K CB -0.152 32.110 32.500 -0.396 0.000 0.742 1177 K HN 0.443 nan 8.250 nan 0.000 0.458 1178 A N 1.007 123.697 122.820 -0.215 0.000 1.935 1178 A HA 0.016 4.335 4.320 -0.002 0.000 0.214 1178 A C 1.996 179.463 177.584 -0.195 0.000 1.178 1178 A CA 0.587 52.498 52.037 -0.211 0.000 0.640 1178 A CB -0.332 18.602 19.000 -0.110 0.000 0.825 1178 A HN 0.247 nan 8.150 nan 0.000 0.447 1179 L N -1.160 119.989 121.223 -0.123 0.000 1.976 1179 L HA -0.177 4.162 4.340 -0.002 0.000 0.209 1179 L C 2.742 179.563 176.870 -0.082 0.000 1.071 1179 L CA 1.637 56.439 54.840 -0.064 0.000 0.746 1179 L CB -0.533 41.513 42.059 -0.021 0.000 0.890 1179 L HN 0.237 nan 8.230 nan 0.000 0.432 1180 R N 0.328 120.776 120.500 -0.088 0.000 2.153 1180 R HA -0.220 4.119 4.340 -0.002 0.000 0.252 1180 R C 2.118 178.279 176.300 -0.232 0.000 1.158 1180 R CA 1.484 57.560 56.100 -0.040 0.000 0.975 1180 R CB -0.277 30.064 30.300 0.069 0.000 0.871 1180 R HN 0.191 nan 8.270 nan 0.000 0.450 1181 K N -1.236 118.769 120.400 -0.658 0.000 2.555 1181 K HA 0.040 4.358 4.320 -0.002 0.000 0.193 1181 K C 1.087 177.360 176.600 -0.545 0.000 1.032 1181 K CA 0.809 56.328 56.287 -1.280 0.000 1.004 1181 K CB 0.321 31.948 32.500 -1.456 0.000 0.804 1181 K HN 0.242 nan 8.250 nan 0.000 0.496 1182 A N -0.134 122.673 122.820 -0.021 0.000 2.138 1182 A HA 0.229 4.548 4.320 -0.002 0.000 0.203 1182 A C 0.462 178.302 177.584 0.427 0.000 1.286 1182 A CA -0.088 52.124 52.037 0.293 0.000 0.929 1182 A CB 0.506 19.586 19.000 0.132 0.000 0.975 1182 A HN 0.111 nan 8.150 nan 0.000 0.480 1183 R N -0.131 120.545 120.500 0.293 0.000 2.566 1183 R HA 0.369 4.707 4.340 -0.002 0.000 0.271 1183 R C -1.674 174.668 176.300 0.070 0.000 1.071 1183 R CA -0.655 55.511 56.100 0.110 0.000 0.915 1183 R CB 1.241 31.567 30.300 0.043 0.000 1.228 1183 R HN 0.216 nan 8.270 nan 0.000 0.449 1184 L N 4.647 125.811 121.223 -0.098 0.000 2.433 1184 L HA 0.481 4.820 4.340 -0.002 0.000 0.275 1184 L C -0.034 176.848 176.870 0.020 0.000 1.128 1184 L CA 1.581 56.422 54.840 0.002 0.000 0.875 1184 L CB 0.072 42.096 42.059 -0.057 0.000 1.171 1184 L HN 0.952 nan 8.230 nan 0.000 0.463 1188 S N -0.053 115.769 115.700 0.204 0.000 2.511 1188 S HA 0.192 4.661 4.470 -0.002 0.000 0.214 1188 S C 0.788 175.633 174.600 0.408 0.000 0.997 1188 S CA 0.425 58.791 58.200 0.276 0.000 0.908 1188 S CB 0.642 63.948 63.200 0.177 0.000 0.803 1188 S HN 1.027 nan 8.310 nan 0.000 0.504 1189 T N -1.631 113.076 114.554 0.256 0.000 2.887 1189 T HA 0.598 4.947 4.350 -0.002 0.000 0.288 1189 T C 0.262 174.819 174.700 -0.238 0.000 1.021 1189 T CA -0.872 61.360 62.100 0.220 0.000 1.000 1189 T CB 1.170 70.136 68.868 0.163 0.000 1.034 1189 T HN -0.003 nan 8.240 nan 0.000 0.467 1190 F N 1.576 121.283 119.950 -0.406 0.000 2.202 1190 F HA -0.043 4.483 4.527 -0.002 0.000 0.301 1190 F C 1.972 177.654 175.800 -0.196 0.000 1.082 1190 F CA 1.628 59.239 58.000 -0.648 0.000 1.313 1190 F CB -0.221 38.736 39.000 -0.072 0.000 1.024 1190 F HN 0.695 nan 8.300 nan 0.000 0.495 1191 E N 0.513 120.745 120.200 0.053 0.000 2.049 1191 E HA -0.279 4.070 4.350 -0.002 0.000 0.198 1191 E C 2.208 178.797 176.600 -0.019 0.000 1.007 1191 E CA 2.097 58.529 56.400 0.053 0.000 0.809 1191 E CB -0.601 29.151 29.700 0.087 0.000 0.749 1191 E HN 0.567 nan 8.360 nan 0.000 0.450 1192 Q N -0.920 118.874 119.800 -0.010 0.000 2.050 1192 Q HA -0.187 4.152 4.340 -0.002 0.000 0.202 1192 Q C 2.119 178.131 176.000 0.020 0.000 0.980 1192 Q CA 1.442 57.293 55.803 0.079 0.000 0.840 1192 Q CB -0.393 28.405 28.738 0.101 0.000 0.898 1192 Q HN 0.328 nan 8.270 nan 0.000 0.424 1193 Y N 1.968 122.058 120.300 -0.349 0.000 2.014 1193 Y HA -0.377 4.171 4.550 -0.002 0.000 0.270 1193 Y C 2.635 178.356 175.900 -0.299 0.000 1.145 1193 Y CA 2.451 60.309 58.100 -0.402 0.000 1.106 1193 Y CB -0.451 37.534 38.460 -0.792 0.000 0.968 1193 Y HN 0.152 nan 8.280 nan 0.000 0.484 1194 Q N -0.991 118.543 119.800 -0.443 0.000 2.308 1194 Q HA -0.271 4.068 4.340 -0.002 0.000 0.209 1194 Q C 2.075 178.044 176.000 -0.051 0.000 0.985 1194 Q CA 1.826 57.420 55.803 -0.347 0.000 0.881 1194 Q CB -0.617 27.761 28.738 -0.601 0.000 0.917 1194 Q HN 0.576 nan 8.270 nan 0.000 0.443 1195 F N 0.568 120.411 119.950 -0.178 0.000 2.206 1195 F HA -0.077 4.449 4.527 -0.002 0.000 0.298 1195 F C 1.497 177.217 175.800 -0.133 0.000 1.090 1195 F CA 0.998 58.931 58.000 -0.112 0.000 1.323 1195 F CB -0.184 38.767 39.000 -0.082 0.000 1.028 1195 F HN 0.059 nan 8.300 nan 0.000 0.492 1196 L N -1.101 119.920 121.223 -0.335 0.000 2.042 1196 L HA -0.282 4.057 4.340 -0.002 0.000 0.210 1196 L C 2.364 178.949 176.870 -0.475 0.000 1.076 1196 L CA 1.582 56.121 54.840 -0.502 0.000 0.749 1196 L CB -1.113 40.643 42.059 -0.505 0.000 0.893 1196 L HN 0.122 nan 8.230 nan 0.000 0.432 1197 Y N 0.555 120.639 120.300 -0.360 0.000 2.145 1197 Y HA -0.276 4.272 4.550 -0.002 0.000 0.286 1197 Y C 2.519 178.285 175.900 -0.223 0.000 1.145 1197 Y CA 1.563 59.513 58.100 -0.251 0.000 1.148 1197 Y CB -0.399 37.954 38.460 -0.179 0.000 0.981 1197 Y HN 0.230 nan 8.280 nan 0.000 0.507 1198 D N -0.417 119.956 120.400 -0.047 0.000 2.108 1198 D HA -0.210 4.429 4.640 -0.002 0.000 0.190 1198 D C 2.391 178.596 176.300 -0.158 0.000 0.995 1198 D CA 2.297 56.262 54.000 -0.059 0.000 0.834 1198 D CB -1.013 39.795 40.800 0.013 0.000 0.967 1198 D HN 0.318 nan 8.370 nan 0.000 0.446 1199 V N -0.446 119.246 119.914 -0.371 0.000 2.343 1199 V HA -0.182 3.936 4.120 -0.002 0.000 0.247 1199 V C 2.412 178.368 176.094 -0.229 0.000 1.051 1199 V CA 1.039 63.129 62.300 -0.350 0.000 1.036 1199 V CB -0.686 30.783 31.823 -0.590 0.000 0.654 1199 V HN 0.068 nan 8.190 nan 0.000 0.451 1200 I N 1.427 121.838 120.570 -0.264 0.000 2.208 1200 I HA -0.218 3.951 4.170 -0.002 0.000 0.245 1200 I C 2.897 178.969 176.117 -0.074 0.000 1.097 1200 I CA 2.166 63.362 61.300 -0.173 0.000 1.363 1200 I CB -1.558 36.267 38.000 -0.291 0.000 1.051 1200 I HN 0.455 nan 8.210 nan 0.000 0.413 1201 A N 1.008 123.741 122.820 -0.146 0.000 1.855 1201 A HA -0.179 4.139 4.320 -0.002 0.000 0.215 1201 A C 2.494 179.988 177.584 -0.150 0.000 1.191 1201 A CA 2.194 54.080 52.037 -0.251 0.000 0.613 1201 A CB -0.936 17.903 19.000 -0.268 0.000 0.829 1201 A HN 0.538 nan 8.150 nan 0.000 0.442 1202 S N 0.012 115.701 115.700 -0.018 0.000 2.442 1202 S HA -0.114 4.354 4.470 -0.002 0.000 0.236 1202 S C 1.371 176.001 174.600 0.050 0.000 1.007 1202 S CA 1.614 59.864 58.200 0.083 0.000 0.965 1202 S CB -1.225 62.004 63.200 0.047 0.000 0.773 1202 S HN 0.769 nan 8.310 nan 0.000 0.504 1203 T N -1.617 112.939 114.554 0.002 0.000 3.284 1203 T HA 0.428 4.777 4.350 -0.002 0.000 0.249 1203 T C -0.592 173.948 174.700 -0.266 0.000 0.944 1203 T CA -0.617 61.409 62.100 -0.124 0.000 0.919 1203 T CB -0.976 67.771 68.868 -0.202 0.000 1.089 1203 T HN 0.433 nan 8.240 nan 0.000 0.576 1204 Y N -0.557 119.738 120.300 -0.009 0.000 2.577 1204 Y HA 0.306 4.854 4.550 -0.002 0.000 0.294 1204 Y C -2.803 173.180 175.900 0.139 0.000 1.120 1204 Y CA -1.912 56.194 58.100 0.010 0.000 1.411 1204 Y CB 0.492 38.918 38.460 -0.055 0.000 1.148 1204 Y HN 0.216 nan 8.280 nan 0.000 0.515 1205 P HA 0.000 nan 4.420 nan 0.000 0.216 1205 P CA 0.000 63.252 63.100 0.253 0.000 0.800 1205 P CB 0.000 31.742 31.700 0.070 0.000 0.726