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 3fui_1_A DATA FIRST_RESID 5 DATA SEQUENCE DTCSLASPAS VCRTKHLHLR CSVDFTRRTL TGTAALTVQS QEDNLRSLVL DATA SEQUENCE DTKDLTIEKV VINGQEVKYA LGERQSYKGS PMEISLPIAL SKNQEIVIEI DATA SEQUENCE SFETSPKSSA LQWLTPEQTS GKEHPYLFSQ CQAIHCRAIL PCQDTPSVKL DATA SEQUENCE TYTAEVSVPK ELVALMSAIR DGETPDPEDP SRKIYKFIQK VPIPCYLIAL DATA SEQUENCE VVGALESRQI GPRTLVWSEK EQVEKSAYEF SETESMLKIA EDLGGPYVWG DATA SEQUENCE QYDLLVLPPS FPYGGMENPC LTFVTPTLLA GDKSLSNVIA HEISHSWTGN DATA SEQUENCE LVTNKTWDHF WLNEGHTVYL ERHICGRLFG EKFRHFNALG GWGELQNSVK DATA SEQUENCE TFGETHPFTK LVVDLTDIDP DVAYSSVPYE KGFALLFYLE QLLGGPEIFL DATA SEQUENCE GFLKAYVEKF SYKSITTDDW KDFLYSYFKD KVDVLNQVDW NAWLYSPGLP DATA SEQUENCE PIKPNYDMTL TNACIALSQR WITAKEDDLN SFNATDLKDL SSHQLNEFLA DATA SEQUENCE QTLQRAPLPL GHIKRMQEVY NFNAINNSEI RFRWLRLCIQ SKWEDAIPLA DATA SEQUENCE LKMATEQGRM KFTRPLFKDL AAFDKSHDQA VRTYQEHKAS MHPVTAMLVG DATA SEQUENCE KDLKVD 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.341 176.300 0.068 0.000 2.045 5 D CA 0.000 54.030 54.000 0.050 0.000 0.868 5 D CB 0.000 40.813 40.800 0.022 0.000 0.688 6 T N -1.429 113.177 114.554 0.087 0.000 3.098 6 T HA -0.038 4.272 4.350 -0.066 0.000 0.266 6 T C 1.622 176.389 174.700 0.111 0.000 1.145 6 T CA 0.695 62.849 62.100 0.090 0.000 1.092 6 T CB -0.370 68.552 68.868 0.090 0.000 0.908 6 T HN 0.390 nan 8.240 nan 0.000 0.526 7 C N 1.142 120.530 119.300 0.145 0.000 2.799 7 C HA 0.523 4.943 4.460 -0.066 0.000 0.267 7 C C 1.298 176.356 174.990 0.113 0.000 1.257 7 C CA -0.682 58.440 59.018 0.173 0.000 1.702 7 C CB -0.993 26.908 27.740 0.267 0.000 1.934 7 C HN 0.617 nan 8.230 nan 0.000 0.594 8 S N -0.218 115.532 115.700 0.083 0.000 2.532 8 S HA 0.668 5.098 4.470 -0.066 0.000 0.301 8 S C 0.235 174.847 174.600 0.020 0.000 1.083 8 S CA -0.534 57.695 58.200 0.049 0.000 1.025 8 S CB 0.775 64.006 63.200 0.052 0.000 1.056 8 S HN 0.395 nan 8.310 nan 0.000 0.494 9 L N 2.633 123.858 121.223 0.003 0.000 2.664 9 L HA 0.418 4.718 4.340 -0.066 0.000 0.233 9 L C 1.313 178.183 176.870 0.001 0.000 1.113 9 L CA -0.171 54.666 54.840 -0.006 0.000 0.896 9 L CB -0.395 41.651 42.059 -0.022 0.000 1.163 9 L HN 0.703 nan 8.230 nan 0.000 0.497 10 A N 0.240 123.062 122.820 0.004 0.000 2.386 10 A HA 0.266 4.546 4.320 -0.066 0.000 0.246 10 A C 0.623 178.211 177.584 0.007 0.000 1.089 10 A CA -0.091 51.949 52.037 0.004 0.000 0.790 10 A CB 0.145 19.146 19.000 0.002 0.000 1.042 10 A HN 0.186 nan 8.150 nan 0.000 0.497 11 S N 2.647 118.351 115.700 0.007 0.000 2.544 11 S HA 0.267 4.698 4.470 -0.066 0.000 0.290 11 S C -2.008 172.597 174.600 0.008 0.000 1.276 11 S CA -0.452 57.753 58.200 0.008 0.000 1.075 11 S CB -0.178 63.028 63.200 0.009 0.000 0.849 11 S HN 0.610 nan 8.310 nan 0.000 0.494 12 P HA 0.181 nan 4.420 nan 0.000 0.273 12 P C 0.302 177.605 177.300 0.005 0.000 1.250 12 P CA -0.400 62.704 63.100 0.007 0.000 0.793 12 P CB 0.495 32.200 31.700 0.009 0.000 1.011 13 A N 0.989 123.810 122.820 0.002 0.000 2.121 13 A HA -0.124 4.156 4.320 -0.066 0.000 0.218 13 A C 2.059 179.644 177.584 0.003 0.000 1.154 13 A CA 1.721 53.759 52.037 0.001 0.000 0.679 13 A CB -1.574 17.424 19.000 -0.003 0.000 0.795 13 A HN 0.630 nan 8.150 nan 0.000 0.458 14 S N -0.900 114.803 115.700 0.004 0.000 2.447 14 S HA -0.051 4.379 4.470 -0.066 0.000 0.233 14 S C 1.581 176.184 174.600 0.006 0.000 1.006 14 S CA 1.282 59.486 58.200 0.005 0.000 0.957 14 S CB -0.376 62.828 63.200 0.007 0.000 0.773 14 S HN 0.224 nan 8.310 nan 0.000 0.507 15 V N 1.038 120.956 119.914 0.007 0.000 2.436 15 V HA 0.203 4.283 4.120 -0.066 0.000 0.240 15 V C 1.222 177.320 176.094 0.007 0.000 1.040 15 V CA 0.884 63.188 62.300 0.007 0.000 1.052 15 V CB -0.009 31.819 31.823 0.008 0.000 0.707 15 V HN 0.928 nan 8.190 nan 0.000 0.469 16 C N 0.687 119.991 119.300 0.007 0.000 3.285 16 C HA 0.804 5.224 4.460 -0.066 0.000 0.325 16 C C -1.136 173.859 174.990 0.008 0.000 1.304 16 C CA -1.186 57.837 59.018 0.008 0.000 1.319 16 C CB 1.917 29.663 27.740 0.010 0.000 1.640 16 C HN 0.573 nan 8.230 nan 0.000 0.477 17 R N 0.732 121.237 120.500 0.009 0.000 2.621 17 R HA 0.642 4.942 4.340 -0.066 0.000 0.284 17 R C -1.043 175.267 176.300 0.016 0.000 0.998 17 R CA -0.276 55.830 56.100 0.010 0.000 0.895 17 R CB 0.923 31.227 30.300 0.008 0.000 1.195 17 R HN 0.777 nan 8.270 nan 0.000 0.450 18 T N 3.232 117.795 114.554 0.016 0.000 2.870 18 T HA 0.143 4.453 4.350 -0.066 0.000 0.300 18 T C 0.865 175.586 174.700 0.036 0.000 0.989 18 T CA -0.385 61.730 62.100 0.025 0.000 1.139 18 T CB 0.796 69.672 68.868 0.013 0.000 0.920 18 T HN 0.368 nan 8.240 nan 0.000 0.537 19 K N 1.562 121.998 120.400 0.060 0.000 2.365 19 K HA 0.145 4.425 4.320 -0.066 0.000 0.195 19 K C 0.423 177.110 176.600 0.146 0.000 1.079 19 K CA 0.435 56.768 56.287 0.078 0.000 0.979 19 K CB 0.354 32.895 32.500 0.068 0.000 0.929 19 K HN 0.758 nan 8.250 nan 0.000 0.523 20 H N -0.877 118.220 119.070 0.045 0.000 3.079 20 H HA 0.434 4.952 4.556 -0.063 0.000 0.356 20 H C -2.073 173.311 175.328 0.093 0.000 1.221 20 H CA -0.899 55.195 56.048 0.076 0.000 1.185 20 H CB 1.424 31.225 29.762 0.065 0.000 1.882 20 H HN -0.079 nan 8.280 nan 0.000 0.543 21 L N 4.417 125.444 121.223 -0.328 0.000 2.356 21 L HA 0.380 4.681 4.340 -0.066 0.000 0.277 21 L C -1.507 175.352 176.870 -0.019 0.000 0.996 21 L CA -0.354 54.430 54.840 -0.093 0.000 0.822 21 L CB 1.264 43.255 42.059 -0.114 0.000 1.256 21 L HN 0.808 nan 8.230 nan 0.000 0.413 22 H N 5.696 124.849 119.070 0.139 0.000 2.541 22 H HA 0.405 4.922 4.556 -0.065 0.000 0.316 22 H C -1.577 173.831 175.328 0.133 0.000 1.043 22 H CA -0.736 55.425 56.048 0.188 0.000 1.232 22 H CB 1.753 31.658 29.762 0.238 0.000 1.406 22 H HN 0.669 nan 8.280 nan 0.000 0.469 23 L N 6.465 127.499 121.223 -0.314 0.000 2.287 23 L HA 0.400 4.700 4.340 -0.066 0.000 0.287 23 L C -0.682 176.013 176.870 -0.292 0.000 1.022 23 L CA -0.372 54.355 54.840 -0.187 0.000 0.814 23 L CB 0.822 42.829 42.059 -0.087 0.000 1.217 23 L HN 0.595 nan 8.230 nan 0.000 0.420 24 R N 5.105 125.519 120.500 -0.144 0.000 2.393 24 R HA 0.691 4.991 4.340 -0.066 0.000 0.315 24 R C -1.100 175.174 176.300 -0.042 0.000 0.952 24 R CA -0.554 55.505 56.100 -0.067 0.000 0.842 24 R CB 1.237 31.540 30.300 0.004 0.000 1.163 24 R HN 0.898 nan 8.270 nan 0.000 0.450 25 C N -0.761 118.527 119.300 -0.020 0.000 3.241 25 C HA 0.776 5.196 4.460 -0.066 0.000 0.312 25 C C -0.410 174.572 174.990 -0.014 0.000 1.350 25 C CA -1.001 57.988 59.018 -0.050 0.000 1.415 25 C CB 1.912 29.635 27.740 -0.030 0.000 1.770 25 C HN 0.676 nan 8.230 nan 0.000 0.466 26 S N 0.217 115.896 115.700 -0.035 0.000 2.532 26 S HA 0.704 5.134 4.470 -0.066 0.000 0.299 26 S C -1.041 173.557 174.600 -0.004 0.000 1.105 26 S CA -0.326 57.872 58.200 -0.002 0.000 1.018 26 S CB 1.257 64.451 63.200 -0.010 0.000 1.021 26 S HN 1.003 nan 8.310 nan 0.000 0.483 27 V N 4.963 124.880 119.914 0.006 0.000 2.334 27 V HA 0.313 4.393 4.120 -0.066 0.000 0.267 27 V C -0.160 175.892 176.094 -0.071 0.000 1.040 27 V CA -0.570 61.706 62.300 -0.040 0.000 0.866 27 V CB 0.971 32.699 31.823 -0.157 0.000 1.019 27 V HN 0.836 nan 8.190 nan 0.000 0.468 28 D N 4.137 124.509 120.400 -0.048 0.000 2.467 28 D HA 0.275 4.875 4.640 -0.066 0.000 0.220 28 D C 0.649 176.827 176.300 -0.203 0.000 1.103 28 D CA -0.382 53.572 54.000 -0.077 0.000 0.886 28 D CB 0.778 41.531 40.800 -0.079 0.000 1.025 28 D HN 0.349 nan 8.370 nan 0.000 0.514 29 F N 1.085 121.082 119.950 0.079 0.000 2.293 29 F HA -0.098 4.387 4.527 -0.069 0.000 0.300 29 F C 2.465 178.202 175.800 -0.105 0.000 1.086 29 F CA 0.830 58.858 58.000 0.046 0.000 1.375 29 F CB -0.198 38.911 39.000 0.182 0.000 1.045 29 F HN 0.303 nan 8.300 nan 0.000 0.516 30 T N -0.557 114.041 114.554 0.073 0.000 2.904 30 T HA -0.091 4.219 4.350 -0.066 0.000 0.267 30 T C 1.801 176.437 174.700 -0.108 0.000 1.059 30 T CA 1.087 63.187 62.100 0.000 0.000 1.137 30 T CB -0.128 68.749 68.868 0.015 0.000 0.879 30 T HN 0.254 nan 8.240 nan 0.000 0.467 31 R N 0.195 120.580 120.500 -0.192 0.000 2.397 31 R HA 0.268 4.568 4.340 -0.066 0.000 0.241 31 R C 0.003 176.027 176.300 -0.459 0.000 0.914 31 R CA -0.269 55.682 56.100 -0.247 0.000 1.071 31 R CB 0.424 30.619 30.300 -0.175 0.000 1.116 31 R HN 0.159 nan 8.270 nan 0.000 0.524 32 R N 1.441 121.463 120.500 -0.796 0.000 3.322 32 R HA -0.143 4.157 4.340 -0.066 0.000 0.253 32 R C -0.590 174.979 176.300 -1.217 0.000 0.987 32 R CA 1.323 56.341 56.100 -1.803 0.000 0.666 32 R CB -2.583 26.735 30.300 -1.636 0.000 1.072 32 R HN 0.391 nan 8.270 nan 0.000 0.447 33 T N -2.452 111.718 114.554 -0.640 0.000 2.893 33 T HA 0.666 4.976 4.350 -0.066 0.000 0.291 33 T C -0.068 174.692 174.700 0.100 0.000 1.028 33 T CA -1.115 60.911 62.100 -0.122 0.000 0.995 33 T CB 2.692 71.494 68.868 -0.109 0.000 1.051 33 T HN 0.284 nan 8.240 nan 0.000 0.470 34 L N 2.413 123.756 121.223 0.200 0.000 2.282 34 L HA 0.710 5.010 4.340 -0.066 0.000 0.288 34 L C -0.805 176.055 176.870 -0.016 0.000 1.033 34 L CA -0.216 54.698 54.840 0.123 0.000 0.807 34 L CB 1.403 43.566 42.059 0.172 0.000 1.209 34 L HN 0.952 nan 8.230 nan 0.000 0.423 35 T N 3.662 118.130 114.554 -0.143 0.000 2.861 35 T HA 0.879 5.189 4.350 -0.066 0.000 0.287 35 T C 0.003 174.442 174.700 -0.435 0.000 1.003 35 T CA -0.211 61.702 62.100 -0.312 0.000 0.977 35 T CB 1.761 70.520 68.868 -0.183 0.000 0.996 35 T HN 0.970 nan 8.240 nan 0.000 0.448 36 G N 1.522 109.863 108.800 -0.764 0.000 2.399 36 G HA2 0.539 4.459 3.960 -0.066 0.000 0.256 36 G HA3 0.539 4.459 3.960 -0.066 0.000 0.256 36 G C -1.124 173.450 174.900 -0.544 0.000 1.236 36 G CA -0.195 44.591 45.100 -0.524 0.000 0.914 36 G HN 0.991 nan 8.290 nan 0.000 0.482 37 T N -2.128 112.314 114.554 -0.187 0.000 2.861 37 T HA 0.796 5.106 4.350 -0.066 0.000 0.287 37 T C -0.384 174.440 174.700 0.206 0.000 1.003 37 T CA 0.243 62.368 62.100 0.042 0.000 0.977 37 T CB 1.856 70.748 68.868 0.041 0.000 0.996 37 T HN 1.971 nan 8.240 nan 0.000 0.448 38 A N 2.214 125.214 122.820 0.300 0.000 2.267 38 A HA 0.797 5.077 4.320 -0.066 0.000 0.315 38 A C 0.356 178.012 177.584 0.120 0.000 1.297 38 A CA -0.880 51.265 52.037 0.181 0.000 0.865 38 A CB 0.099 19.152 19.000 0.089 0.000 1.165 38 A HN 1.414 nan 8.150 nan 0.000 0.513 39 A N 3.947 126.849 122.820 0.137 0.000 2.391 39 A HA 0.590 4.870 4.320 -0.066 0.000 0.316 39 A C -0.237 177.428 177.584 0.135 0.000 1.381 39 A CA -0.272 51.850 52.037 0.141 0.000 0.998 39 A CB -0.318 18.796 19.000 0.189 0.000 1.147 39 A HN 0.802 nan 8.150 nan 0.000 0.545 40 L N 2.939 124.213 121.223 0.085 0.000 2.260 40 L HA 0.272 4.572 4.340 -0.066 0.000 0.289 40 L C 0.161 177.081 176.870 0.083 0.000 1.057 40 L CA -0.297 54.586 54.840 0.072 0.000 0.811 40 L CB 1.135 43.211 42.059 0.029 0.000 1.184 40 L HN 0.551 nan 8.230 nan 0.000 0.429 41 T N 3.330 117.953 114.554 0.116 0.000 2.738 41 T HA 0.303 4.613 4.350 -0.066 0.000 0.294 41 T C 0.174 174.914 174.700 0.067 0.000 0.914 41 T CA -0.240 61.916 62.100 0.093 0.000 1.052 41 T CB 0.790 69.727 68.868 0.114 0.000 0.897 41 T HN 0.195 nan 8.240 nan 0.000 0.522 42 V N 4.362 124.302 119.914 0.044 0.000 2.513 42 V HA 0.424 4.504 4.120 -0.066 0.000 0.299 42 V C 0.077 176.185 176.094 0.023 0.000 1.035 42 V CA -0.904 61.415 62.300 0.031 0.000 0.889 42 V CB 1.850 33.688 31.823 0.025 0.000 0.988 42 V HN 0.773 nan 8.190 nan 0.000 0.440 43 Q N 2.693 122.505 119.800 0.019 0.000 2.325 43 Q HA 0.420 4.721 4.340 -0.066 0.000 0.262 43 Q C -0.168 175.838 176.000 0.010 0.000 0.968 43 Q CA -0.258 55.553 55.803 0.013 0.000 0.877 43 Q CB 1.622 30.366 28.738 0.010 0.000 1.253 43 Q HN 0.789 nan 8.270 nan 0.000 0.448 44 S N 2.677 118.382 115.700 0.009 0.000 2.560 44 S HA 0.015 4.445 4.470 -0.066 0.000 0.284 44 S C 0.419 175.022 174.600 0.005 0.000 1.327 44 S CA 0.079 58.283 58.200 0.008 0.000 1.055 44 S CB 0.613 63.818 63.200 0.007 0.000 0.868 44 S HN 0.728 nan 8.310 nan 0.000 0.506 45 Q N 2.273 122.076 119.800 0.005 0.000 2.219 45 Q HA 0.359 4.659 4.340 -0.066 0.000 0.209 45 Q C -0.381 175.622 176.000 0.004 0.000 0.854 45 Q CA 0.319 56.125 55.803 0.004 0.000 0.960 45 Q CB 0.583 29.324 28.738 0.004 0.000 1.116 45 Q HN 0.719 nan 8.270 nan 0.000 0.500 46 E N 0.286 120.489 120.200 0.005 0.000 2.317 46 E HA 0.210 4.520 4.350 -0.066 0.000 0.270 46 E C -1.416 175.187 176.600 0.005 0.000 0.885 46 E CA -0.684 55.718 56.400 0.005 0.000 0.760 46 E CB 1.698 31.402 29.700 0.006 0.000 1.227 46 E HN -0.087 nan 8.360 nan 0.000 0.434 47 D N 1.102 121.505 120.400 0.004 0.000 2.455 47 D HA -0.029 4.571 4.640 -0.066 0.000 0.241 47 D C 0.082 176.385 176.300 0.005 0.000 1.138 47 D CA 0.870 54.873 54.000 0.004 0.000 0.877 47 D CB 0.312 41.114 40.800 0.003 0.000 1.187 47 D HN 0.486 nan 8.370 nan 0.000 0.451 48 N N 1.848 120.551 118.700 0.005 0.000 2.727 48 N HA -0.224 4.476 4.740 -0.066 0.000 0.249 48 N C -1.236 174.279 175.510 0.007 0.000 1.048 48 N CA 0.159 53.212 53.050 0.006 0.000 0.714 48 N CB -1.167 37.324 38.487 0.005 0.000 0.959 48 N HN 0.402 nan 8.380 nan 0.000 0.544 49 L N 0.531 121.758 121.223 0.008 0.000 2.410 49 L HA 0.291 4.591 4.340 -0.066 0.000 0.273 49 L C 1.341 178.218 176.870 0.011 0.000 1.144 49 L CA 0.625 55.470 54.840 0.010 0.000 0.863 49 L CB 0.571 42.636 42.059 0.010 0.000 1.140 49 L HN 0.288 nan 8.230 nan 0.000 0.463 50 R N 1.779 122.286 120.500 0.013 0.000 2.517 50 R HA 0.267 4.567 4.340 -0.066 0.000 0.265 50 R C -0.452 175.859 176.300 0.018 0.000 0.921 50 R CA 0.416 56.525 56.100 0.014 0.000 1.054 50 R CB 0.518 30.826 30.300 0.012 0.000 1.340 50 R HN 0.780 nan 8.270 nan 0.000 0.551 51 S N 0.777 116.488 115.700 0.018 0.000 2.579 51 S HA 0.660 5.090 4.470 -0.066 0.000 0.272 51 S C -0.901 173.712 174.600 0.021 0.000 1.141 51 S CA -1.018 57.195 58.200 0.023 0.000 0.843 51 S CB 2.151 65.365 63.200 0.023 0.000 1.122 51 S HN 0.139 nan 8.310 nan 0.000 0.468 52 L N -0.964 120.274 121.223 0.024 0.000 2.409 52 L HA 0.955 5.255 4.340 -0.066 0.000 0.255 52 L C -1.785 175.098 176.870 0.022 0.000 1.027 52 L CA -1.088 53.764 54.840 0.020 0.000 0.834 52 L CB 1.349 43.418 42.059 0.016 0.000 1.426 52 L HN 0.585 nan 8.230 nan 0.000 0.411 53 V N 2.466 122.389 119.914 0.016 0.000 2.495 53 V HA 0.544 4.624 4.120 -0.066 0.000 0.298 53 V C 0.221 176.319 176.094 0.006 0.000 1.031 53 V CA -0.418 61.891 62.300 0.015 0.000 0.871 53 V CB 1.833 33.664 31.823 0.013 0.000 0.988 53 V HN 0.616 nan 8.190 nan 0.000 0.432 54 L N 2.638 123.862 121.223 0.001 0.000 2.322 54 L HA 0.617 4.918 4.340 -0.066 0.000 0.269 54 L C -0.288 176.572 176.870 -0.018 0.000 1.012 54 L CA -0.816 54.016 54.840 -0.014 0.000 0.815 54 L CB 1.795 43.836 42.059 -0.029 0.000 1.295 54 L HN 0.537 nan 8.230 nan 0.000 0.438 55 D N 0.976 121.361 120.400 -0.026 0.000 2.256 55 D HA 0.378 4.978 4.640 -0.066 0.000 0.250 55 D C -0.145 176.126 176.300 -0.047 0.000 1.093 55 D CA 0.241 54.224 54.000 -0.029 0.000 0.882 55 D CB 1.958 42.745 40.800 -0.021 0.000 1.185 55 D HN 0.608 nan 8.370 nan 0.000 0.437 56 T N -1.068 113.462 114.554 -0.040 0.000 2.864 56 T HA 0.595 4.905 4.350 -0.066 0.000 0.299 56 T C -0.771 173.912 174.700 -0.028 0.000 1.166 56 T CA -1.001 61.071 62.100 -0.047 0.000 1.007 56 T CB 2.577 71.422 68.868 -0.039 0.000 1.219 56 T HN 0.267 nan 8.240 nan 0.000 0.506 57 K N 1.018 121.406 120.400 -0.020 0.000 2.695 57 K HA 0.309 4.589 4.320 -0.066 0.000 0.255 57 K C -1.039 175.571 176.600 0.016 0.000 1.016 57 K CA -0.452 55.837 56.287 0.003 0.000 0.928 57 K CB 0.644 33.154 32.500 0.018 0.000 1.235 57 K HN 0.824 nan 8.250 nan 0.000 0.467 58 D N 2.271 122.684 120.400 0.021 0.000 2.870 58 D HA -0.207 4.393 4.640 -0.066 0.000 0.228 58 D C -0.276 176.048 176.300 0.041 0.000 1.147 58 D CA 1.042 55.060 54.000 0.030 0.000 0.757 58 D CB -0.782 40.039 40.800 0.034 0.000 1.091 58 D HN 0.429 nan 8.370 nan 0.000 0.429 59 L N 0.099 121.344 121.223 0.037 0.000 2.379 59 L HA 0.373 4.673 4.340 -0.066 0.000 0.269 59 L C 0.985 177.900 176.870 0.075 0.000 1.084 59 L CA -0.234 54.644 54.840 0.064 0.000 0.802 59 L CB 1.445 43.519 42.059 0.025 0.000 1.175 59 L HN -0.215 nan 8.230 nan 0.000 0.448 60 T N 3.342 117.957 114.554 0.102 0.000 2.758 60 T HA 0.472 4.782 4.350 -0.066 0.000 0.285 60 T C -0.084 174.678 174.700 0.103 0.000 0.981 60 T CA -0.375 61.778 62.100 0.087 0.000 0.965 60 T CB 0.904 69.809 68.868 0.062 0.000 0.927 60 T HN 0.165 nan 8.240 nan 0.000 0.448 61 I N 3.353 123.978 120.570 0.092 0.000 2.315 61 I HA 0.261 4.391 4.170 -0.066 0.000 0.291 61 I C 1.387 177.541 176.117 0.063 0.000 1.006 61 I CA -0.307 61.017 61.300 0.041 0.000 1.265 61 I CB 1.378 39.334 38.000 -0.074 0.000 1.387 61 I HN 0.819 nan 8.210 nan 0.000 0.475 62 E N 6.635 126.850 120.200 0.026 0.000 2.102 62 E HA -0.010 4.300 4.350 -0.066 0.000 0.190 62 E C -0.075 176.562 176.600 0.061 0.000 0.971 62 E CA 0.827 57.253 56.400 0.044 0.000 0.821 62 E CB 0.644 30.350 29.700 0.009 0.000 0.777 62 E HN 0.713 nan 8.360 nan 0.000 0.460 63 K N -1.596 118.784 120.400 -0.034 0.000 2.703 63 K HA 0.333 4.613 4.320 -0.066 0.000 0.285 63 K C -1.661 174.858 176.600 -0.136 0.000 1.014 63 K CA -0.840 55.438 56.287 -0.014 0.000 0.858 63 K CB 1.531 34.064 32.500 0.055 0.000 1.467 63 K HN -0.122 nan 8.250 nan 0.000 0.383 64 V N 1.682 121.540 119.914 -0.093 0.000 2.444 64 V HA 0.415 4.495 4.120 -0.066 0.000 0.294 64 V C -0.891 175.215 176.094 0.020 0.000 1.022 64 V CA -0.800 61.454 62.300 -0.076 0.000 0.850 64 V CB 1.647 33.401 31.823 -0.114 0.000 0.992 64 V HN 0.563 nan 8.190 nan 0.000 0.426 65 V N 6.877 126.801 119.914 0.017 0.000 2.384 65 V HA 0.561 4.641 4.120 -0.066 0.000 0.287 65 V C -0.320 175.793 176.094 0.031 0.000 1.020 65 V CA -0.301 62.017 62.300 0.030 0.000 0.850 65 V CB 1.653 33.493 31.823 0.028 0.000 0.987 65 V HN 0.708 nan 8.190 nan 0.000 0.436 66 I N 4.682 125.271 120.570 0.033 0.000 2.498 66 I HA 0.497 4.627 4.170 -0.066 0.000 0.290 66 I C 0.154 176.286 176.117 0.025 0.000 1.032 66 I CA -0.687 60.630 61.300 0.029 0.000 1.073 66 I CB 1.966 39.984 38.000 0.030 0.000 1.251 66 I HN 0.597 nan 8.210 nan 0.000 0.426 67 N N 4.653 123.365 118.700 0.021 0.000 2.721 67 N HA -0.206 4.495 4.740 -0.066 0.000 0.249 67 N C 0.881 176.401 175.510 0.017 0.000 1.072 67 N CA 1.325 54.385 53.050 0.016 0.000 0.710 67 N CB -1.076 37.420 38.487 0.015 0.000 0.993 67 N HN 1.205 nan 8.380 nan 0.000 0.547 68 G N -1.787 107.024 108.800 0.019 0.000 2.184 68 G HA2 -0.323 3.597 3.960 -0.066 0.000 0.264 68 G HA3 -0.323 3.597 3.960 -0.066 0.000 0.264 68 G C -0.228 174.684 174.900 0.020 0.000 0.975 68 G CA 0.699 45.810 45.100 0.018 0.000 0.642 68 G HN 0.483 nan 8.290 nan 0.000 0.536 69 Q N 0.174 119.988 119.800 0.024 0.000 2.394 69 Q HA 0.470 4.770 4.340 -0.066 0.000 0.273 69 Q C -0.089 175.933 176.000 0.037 0.000 1.089 69 Q CA -0.671 55.148 55.803 0.028 0.000 0.812 69 Q CB 1.610 30.363 28.738 0.025 0.000 1.353 69 Q HN 0.612 nan 8.270 nan 0.000 0.438 70 E N 0.774 121.001 120.200 0.044 0.000 2.398 70 E HA 0.317 4.627 4.350 -0.066 0.000 0.263 70 E C 0.008 176.652 176.600 0.074 0.000 1.046 70 E CA -0.278 56.161 56.400 0.065 0.000 0.908 70 E CB 0.953 30.698 29.700 0.074 0.000 0.963 70 E HN 0.398 nan 8.360 nan 0.000 0.431 71 V N -0.871 119.108 119.914 0.108 0.000 3.141 71 V HA 0.502 4.582 4.120 -0.066 0.000 0.312 71 V C -0.615 175.575 176.094 0.161 0.000 1.157 71 V CA -1.392 60.971 62.300 0.106 0.000 1.041 71 V CB 1.766 33.642 31.823 0.088 0.000 1.071 71 V HN 0.396 nan 8.190 nan 0.000 0.441 72 K N 1.870 122.332 120.400 0.102 0.000 2.350 72 K HA 0.530 4.810 4.320 -0.066 0.000 0.279 72 K C -0.834 175.861 176.600 0.157 0.000 1.027 72 K CA 0.401 56.724 56.287 0.062 0.000 0.969 72 K CB 0.299 32.804 32.500 0.009 0.000 0.954 72 K HN 0.864 nan 8.250 nan 0.000 0.474 73 Y N -0.690 119.617 120.300 0.012 0.000 2.597 73 Y HA 0.781 5.291 4.550 -0.065 0.000 0.340 73 Y C -1.234 174.672 175.900 0.009 0.000 1.097 73 Y CA -1.595 56.511 58.100 0.011 0.000 1.037 73 Y CB 1.384 39.853 38.460 0.015 0.000 1.305 73 Y HN 0.447 nan 8.280 nan 0.000 0.463 74 A N 2.769 125.624 122.820 0.059 0.000 2.449 74 A HA 0.747 5.027 4.320 -0.066 0.000 0.302 74 A C -1.891 175.749 177.584 0.094 0.000 1.048 74 A CA -0.924 51.106 52.037 -0.013 0.000 0.708 74 A CB 1.376 20.354 19.000 -0.037 0.000 1.274 74 A HN 0.824 nan 8.150 nan 0.000 0.410 75 L N 2.561 123.832 121.223 0.081 0.000 2.264 75 L HA 0.541 4.842 4.340 -0.066 0.000 0.289 75 L C 1.165 178.054 176.870 0.031 0.000 1.044 75 L CA -0.370 54.514 54.840 0.073 0.000 0.807 75 L CB 1.490 43.602 42.059 0.089 0.000 1.192 75 L HN 0.918 nan 8.230 nan 0.000 0.425 76 G N 2.019 110.832 108.800 0.022 0.000 2.588 76 G HA2 0.191 4.111 3.960 -0.066 0.000 0.278 76 G HA3 0.191 4.111 3.960 -0.066 0.000 0.278 76 G C -0.424 174.478 174.900 0.003 0.000 1.307 76 G CA -0.442 44.662 45.100 0.007 0.000 1.016 76 G HN 0.615 nan 8.290 nan 0.000 0.503 77 E N -0.898 119.299 120.200 -0.004 0.000 2.398 77 E HA 0.210 4.521 4.350 -0.066 0.000 0.263 77 E C 0.724 177.315 176.600 -0.016 0.000 1.046 77 E CA -0.362 56.033 56.400 -0.008 0.000 0.908 77 E CB 0.536 30.231 29.700 -0.009 0.000 0.963 77 E HN 0.394 nan 8.360 nan 0.000 0.431 78 R N 2.449 122.940 120.500 -0.016 0.000 2.484 78 R HA -0.048 4.252 4.340 -0.066 0.000 0.293 78 R C -0.324 175.948 176.300 -0.047 0.000 1.023 78 R CA 0.607 56.690 56.100 -0.028 0.000 1.037 78 R CB 0.375 30.665 30.300 -0.016 0.000 0.951 78 R HN 0.531 nan 8.270 nan 0.000 0.418 79 Q N 3.553 123.303 119.800 -0.083 0.000 2.923 79 Q HA 0.122 4.422 4.340 -0.066 0.000 0.363 79 Q C -0.158 175.713 176.000 -0.215 0.000 1.159 79 Q CA -0.199 55.528 55.803 -0.127 0.000 1.073 79 Q CB 0.890 29.545 28.738 -0.139 0.000 1.364 79 Q HN 0.987 nan 8.270 nan 0.000 0.466 80 S N 0.304 115.927 115.700 -0.129 0.000 3.961 80 S HA -0.340 4.090 4.470 -0.066 0.000 0.627 80 S C 0.821 175.349 174.600 -0.119 0.000 2.148 80 S CA 1.637 59.779 58.200 -0.096 0.000 4.099 80 S CB -1.169 61.985 63.200 -0.077 0.000 0.219 80 S HN 0.805 nan 8.310 nan 0.000 0.744 81 Y N 1.114 121.419 120.300 0.007 0.000 2.639 81 Y HA 0.332 4.842 4.550 -0.068 0.000 0.297 81 Y C 1.874 177.756 175.900 -0.030 0.000 1.151 81 Y CA 1.189 59.286 58.100 -0.005 0.000 1.335 81 Y CB -0.461 37.992 38.460 -0.013 0.000 0.994 81 Y HN 0.372 nan 8.280 nan 0.000 0.548 82 K N 0.809 120.884 120.400 -0.543 0.000 2.365 82 K HA 0.251 4.531 4.320 -0.066 0.000 0.197 82 K C 1.317 177.833 176.600 -0.140 0.000 1.042 82 K CA 0.520 56.624 56.287 -0.304 0.000 0.987 82 K CB -0.132 32.144 32.500 -0.373 0.000 0.779 82 K HN 0.596 nan 8.250 nan 0.000 0.484 83 G N 0.848 109.579 108.800 -0.115 0.000 2.542 83 G HA2 -0.230 3.690 3.960 -0.066 0.000 0.235 83 G HA3 -0.230 3.690 3.960 -0.066 0.000 0.235 83 G C -0.722 174.144 174.900 -0.056 0.000 1.286 83 G CA -0.458 44.608 45.100 -0.056 0.000 0.904 83 G HN 0.177 nan 8.290 nan 0.000 0.577 84 S N 2.867 118.548 115.700 -0.031 0.000 2.473 84 S HA 0.717 5.147 4.470 -0.066 0.000 0.307 84 S C -2.547 172.046 174.600 -0.012 0.000 1.094 84 S CA -0.708 57.480 58.200 -0.019 0.000 1.070 84 S CB 2.608 65.807 63.200 -0.001 0.000 1.019 84 S HN 0.748 nan 8.310 nan 0.000 0.480 85 P HA 0.200 nan 4.420 nan 0.000 0.275 85 P C -1.029 176.283 177.300 0.020 0.000 1.227 85 P CA -0.413 62.686 63.100 -0.001 0.000 0.781 85 P CB 0.570 32.269 31.700 -0.003 0.000 0.906 86 M N 2.633 122.248 119.600 0.025 0.000 2.043 86 M HA 0.250 4.691 4.480 -0.066 0.000 0.322 86 M C -0.190 176.146 176.300 0.060 0.000 0.962 86 M CA -0.525 54.810 55.300 0.058 0.000 0.927 86 M CB 0.840 33.467 32.600 0.044 0.000 1.466 86 M HN 0.310 nan 8.290 nan 0.000 0.412 87 E N 4.962 125.206 120.200 0.074 0.000 2.259 87 E HA 0.423 4.734 4.350 -0.066 0.000 0.281 87 E C -1.371 175.289 176.600 0.100 0.000 1.027 87 E CA -0.321 56.117 56.400 0.064 0.000 0.838 87 E CB 1.098 30.824 29.700 0.044 0.000 1.066 87 E HN 0.710 nan 8.360 nan 0.000 0.401 88 I N 2.801 123.419 120.570 0.081 0.000 2.433 88 I HA 0.169 4.299 4.170 -0.066 0.000 0.292 88 I C -0.340 175.820 176.117 0.072 0.000 1.001 88 I CA -0.677 60.683 61.300 0.100 0.000 1.119 88 I CB 2.097 40.140 38.000 0.071 0.000 1.289 88 I HN 0.346 nan 8.210 nan 0.000 0.438 89 S N 6.897 122.644 115.700 0.078 0.000 2.411 89 S HA 0.458 4.888 4.470 -0.066 0.000 0.294 89 S C -0.044 174.585 174.600 0.048 0.000 1.115 89 S CA -0.623 57.608 58.200 0.051 0.000 1.071 89 S CB 0.288 63.513 63.200 0.042 0.000 0.967 89 S HN 0.320 nan 8.310 nan 0.000 0.488 90 L N 5.883 127.128 121.223 0.036 0.000 2.416 90 L HA 0.210 4.510 4.340 -0.066 0.000 0.272 90 L C -0.872 176.014 176.870 0.027 0.000 1.161 90 L CA -1.428 53.430 54.840 0.031 0.000 0.845 90 L CB 0.226 42.300 42.059 0.024 0.000 1.119 90 L HN 0.445 nan 8.230 nan 0.000 0.464 91 P HA 0.007 nan 4.420 nan 0.000 0.223 91 P C 0.116 177.426 177.300 0.017 0.000 1.151 91 P CA 1.182 64.296 63.100 0.022 0.000 0.787 91 P CB 0.467 32.181 31.700 0.023 0.000 0.788 92 I N -0.943 119.636 120.570 0.016 0.000 2.607 92 I HA 0.429 4.559 4.170 -0.066 0.000 0.290 92 I C -0.201 175.923 176.117 0.012 0.000 1.129 92 I CA -1.615 59.692 61.300 0.012 0.000 1.042 92 I CB 2.180 40.186 38.000 0.010 0.000 1.242 92 I HN -0.232 nan 8.210 nan 0.000 0.421 93 A N 7.140 129.966 122.820 0.010 0.000 2.546 93 A HA 0.442 4.722 4.320 -0.066 0.000 0.243 93 A C -0.268 177.321 177.584 0.008 0.000 1.063 93 A CA 0.248 52.290 52.037 0.009 0.000 0.757 93 A CB 0.066 19.071 19.000 0.008 0.000 0.991 93 A HN 0.673 nan 8.150 nan 0.000 0.503 94 L N 2.800 124.029 121.223 0.009 0.000 2.322 94 L HA 0.400 4.700 4.340 -0.066 0.000 0.279 94 L C 0.909 177.783 176.870 0.006 0.000 1.036 94 L CA -0.521 54.323 54.840 0.007 0.000 0.807 94 L CB 1.719 43.783 42.059 0.009 0.000 1.226 94 L HN 0.918 nan 8.230 nan 0.000 0.433 95 S N 1.727 117.429 115.700 0.004 0.000 2.669 95 S HA 0.269 4.699 4.470 -0.066 0.000 0.270 95 S C -0.195 174.406 174.600 0.002 0.000 1.225 95 S CA -0.904 57.297 58.200 0.003 0.000 0.991 95 S CB 1.309 64.510 63.200 0.001 0.000 0.987 95 S HN 0.556 nan 8.310 nan 0.000 0.552 96 K N 0.801 121.202 120.400 0.002 0.000 2.484 96 K HA -0.027 4.253 4.320 -0.066 0.000 0.280 96 K C -0.129 176.471 176.600 -0.000 0.000 1.013 96 K CA 0.469 56.757 56.287 0.001 0.000 1.029 96 K CB -0.219 32.281 32.500 0.001 0.000 0.902 96 K HN 0.710 nan 8.250 nan 0.000 0.481 97 N N 1.200 119.900 118.700 0.000 0.000 2.984 97 N HA -0.220 4.481 4.740 -0.066 0.000 0.227 97 N C -0.441 175.068 175.510 -0.001 0.000 0.903 97 N CA 0.920 53.969 53.050 -0.002 0.000 0.995 97 N CB -0.831 37.653 38.487 -0.005 0.000 1.065 97 N HN 0.788 nan 8.380 nan 0.000 0.585 98 Q N 1.246 121.046 119.800 0.000 0.000 2.352 98 Q HA 0.189 4.489 4.340 -0.066 0.000 0.260 98 Q C -0.558 175.444 176.000 0.003 0.000 0.976 98 Q CA 0.389 56.193 55.803 0.001 0.000 0.881 98 Q CB 0.597 29.337 28.738 0.002 0.000 1.235 98 Q HN 0.174 nan 8.270 nan 0.000 0.419 99 E N 3.955 124.156 120.200 0.003 0.000 2.227 99 E HA 0.549 4.860 4.350 -0.066 0.000 0.268 99 E C -0.597 176.008 176.600 0.009 0.000 0.907 99 E CA -0.659 55.745 56.400 0.007 0.000 0.786 99 E CB 1.658 31.361 29.700 0.006 0.000 1.191 99 E HN 0.606 nan 8.360 nan 0.000 0.411 100 I N -2.361 118.218 120.570 0.015 0.000 3.174 100 I HA 0.625 4.756 4.170 -0.066 0.000 0.313 100 I C -0.929 175.204 176.117 0.026 0.000 1.155 100 I CA -1.384 59.927 61.300 0.017 0.000 0.977 100 I CB 1.826 39.837 38.000 0.018 0.000 1.248 100 I HN 0.168 nan 8.210 nan 0.000 0.453 101 V N 3.790 123.721 119.914 0.028 0.000 2.394 101 V HA 0.470 4.550 4.120 -0.066 0.000 0.282 101 V C -0.039 176.078 176.094 0.039 0.000 1.031 101 V CA -0.337 61.987 62.300 0.041 0.000 0.881 101 V CB 1.369 33.218 31.823 0.043 0.000 0.982 101 V HN 0.456 nan 8.190 nan 0.000 0.451 102 I N 4.083 124.678 120.570 0.042 0.000 2.355 102 I HA 0.439 4.569 4.170 -0.066 0.000 0.288 102 I C 0.005 176.147 176.117 0.041 0.000 0.999 102 I CA -0.289 61.031 61.300 0.034 0.000 1.163 102 I CB 1.582 39.597 38.000 0.024 0.000 1.316 102 I HN 0.647 nan 8.210 nan 0.000 0.454 103 E N 7.533 127.757 120.200 0.041 0.000 2.113 103 E HA 0.506 4.817 4.350 -0.066 0.000 0.273 103 E C -1.142 175.479 176.600 0.036 0.000 0.924 103 E CA -0.588 55.844 56.400 0.053 0.000 0.764 103 E CB 1.101 30.836 29.700 0.058 0.000 1.104 103 E HN 0.520 nan 8.360 nan 0.000 0.406 104 I N 3.639 124.243 120.570 0.056 0.000 2.354 104 I HA 0.182 4.312 4.170 -0.066 0.000 0.286 104 I C -0.160 176.040 176.117 0.137 0.000 1.007 104 I CA -0.564 60.764 61.300 0.047 0.000 1.167 104 I CB 1.808 39.816 38.000 0.013 0.000 1.320 104 I HN 0.368 nan 8.210 nan 0.000 0.458 105 S N 6.999 122.728 115.700 0.048 0.000 2.505 105 S HA 0.538 4.968 4.470 -0.066 0.000 0.276 105 S C -0.435 174.198 174.600 0.055 0.000 1.274 105 S CA -0.253 57.947 58.200 0.001 0.000 1.053 105 S CB 0.071 63.252 63.200 -0.032 0.000 0.919 105 S HN 0.482 nan 8.310 nan 0.000 0.490 106 F N 0.415 120.338 119.950 -0.046 0.000 2.685 106 F HA 0.807 5.294 4.527 -0.066 0.000 0.315 106 F C -0.865 174.920 175.800 -0.024 0.000 1.126 106 F CA -1.143 56.832 58.000 -0.043 0.000 0.950 106 F CB 1.401 40.372 39.000 -0.050 0.000 1.360 106 F HN 0.433 nan 8.300 nan 0.000 0.469 107 E N 0.782 121.081 120.200 0.165 0.000 2.331 107 E HA 0.418 4.728 4.350 -0.066 0.000 0.275 107 E C -1.346 175.401 176.600 0.245 0.000 0.895 107 E CA -0.913 55.530 56.400 0.073 0.000 0.753 107 E CB 2.365 32.062 29.700 -0.006 0.000 1.216 107 E HN 0.928 nan 8.360 nan 0.000 0.434 108 T N 0.364 115.057 114.554 0.232 0.000 2.882 108 T HA 0.300 4.610 4.350 -0.066 0.000 0.287 108 T C 0.481 175.241 174.700 0.101 0.000 1.014 108 T CA -0.703 61.510 62.100 0.188 0.000 1.049 108 T CB 1.577 70.576 68.868 0.217 0.000 1.001 108 T HN 0.264 nan 8.240 nan 0.000 0.525 109 S N 1.598 117.345 115.700 0.079 0.000 2.580 109 S HA 0.295 4.726 4.470 -0.066 0.000 0.274 109 S C -1.544 173.074 174.600 0.030 0.000 1.329 109 S CA -1.521 56.699 58.200 0.034 0.000 1.036 109 S CB 0.298 63.516 63.200 0.029 0.000 0.919 109 S HN 0.586 nan 8.310 nan 0.000 0.515 110 P HA -0.077 nan 4.420 nan 0.000 0.219 110 P C 0.722 178.020 177.300 -0.002 0.000 1.146 110 P CA 1.056 64.073 63.100 -0.139 0.000 0.808 110 P CB 0.039 31.616 31.700 -0.205 0.000 0.779 111 K N -0.495 119.910 120.400 0.009 0.000 2.410 111 K HA 0.102 4.382 4.320 -0.066 0.000 0.200 111 K C 0.325 176.942 176.600 0.028 0.000 1.023 111 K CA -0.110 56.186 56.287 0.015 0.000 1.149 111 K CB -0.175 32.324 32.500 -0.002 0.000 0.859 111 K HN -0.156 nan 8.250 nan 0.000 0.514 112 S N 1.678 117.417 115.700 0.065 0.000 2.673 112 S HA -0.070 4.360 4.470 -0.066 0.000 0.308 112 S C 1.161 175.753 174.600 -0.014 0.000 1.246 112 S CA 0.349 58.581 58.200 0.053 0.000 1.077 112 S CB 0.494 63.753 63.200 0.098 0.000 0.814 112 S HN 0.542 nan 8.310 nan 0.000 0.503 113 S N 4.475 120.170 115.700 -0.008 0.000 2.474 113 S HA -0.016 4.414 4.470 -0.066 0.000 0.235 113 S C 1.815 176.266 174.600 -0.248 0.000 0.997 113 S CA 0.555 58.695 58.200 -0.100 0.000 0.949 113 S CB -0.459 62.773 63.200 0.052 0.000 0.766 113 S HN 0.992 nan 8.310 nan 0.000 0.517 114 A N 0.735 123.503 122.820 -0.087 0.000 2.167 114 A HA 0.481 4.761 4.320 -0.066 0.000 0.214 114 A C 0.799 178.333 177.584 -0.083 0.000 1.151 114 A CA 0.268 52.274 52.037 -0.052 0.000 0.735 114 A CB -0.242 18.789 19.000 0.051 0.000 0.802 114 A HN 0.556 nan 8.150 nan 0.000 0.467 115 L N -0.761 120.354 121.223 -0.181 0.000 2.381 115 L HA 0.450 4.750 4.340 -0.066 0.000 0.268 115 L C -0.397 176.199 176.870 -0.456 0.000 0.997 115 L CA -0.517 54.143 54.840 -0.300 0.000 0.818 115 L CB 2.148 44.035 42.059 -0.288 0.000 1.310 115 L HN 0.255 nan 8.230 nan 0.000 0.416 116 Q N 1.680 121.065 119.800 -0.693 0.000 2.333 116 Q HA 0.340 4.640 4.340 -0.066 0.000 0.268 116 Q C -1.918 173.762 176.000 -0.533 0.000 1.007 116 Q CA -0.656 54.777 55.803 -0.617 0.000 0.810 116 Q CB 1.536 29.877 28.738 -0.661 0.000 1.264 116 Q HN 0.476 nan 8.270 nan 0.000 0.452 117 W N 5.076 126.282 121.300 -0.156 0.000 2.335 117 W HA 0.449 5.077 4.660 -0.053 0.000 0.307 117 W C -0.729 175.828 176.519 0.063 0.000 1.117 117 W CA -0.381 56.969 57.345 0.008 0.000 1.228 117 W CB 0.717 30.190 29.460 0.023 0.000 1.240 117 W HN 0.408 nan 8.180 nan 0.000 0.468 118 L N 3.943 125.371 121.223 0.341 0.000 2.322 118 L HA 0.494 4.794 4.340 -0.066 0.000 0.281 118 L C 0.923 177.937 176.870 0.239 0.000 1.014 118 L CA -1.008 53.980 54.840 0.247 0.000 0.815 118 L CB 1.448 43.637 42.059 0.217 0.000 1.247 118 L HN 0.441 nan 8.230 nan 0.000 0.421 119 T N -0.812 113.839 114.554 0.163 0.000 2.813 119 T HA 0.169 4.480 4.350 -0.066 0.000 0.297 119 T C -1.861 172.891 174.700 0.087 0.000 1.036 119 T CA -1.338 60.830 62.100 0.113 0.000 1.044 119 T CB 0.867 69.780 68.868 0.075 0.000 0.993 119 T HN 0.338 nan 8.240 nan 0.000 0.535 120 P HA -0.095 nan 4.420 nan 0.000 0.216 120 P C 1.486 178.804 177.300 0.030 0.000 1.150 120 P CA 0.946 64.064 63.100 0.030 0.000 0.843 120 P CB 0.034 31.725 31.700 -0.015 0.000 0.787 121 E N -0.554 119.663 120.200 0.028 0.000 2.338 121 E HA -0.140 4.170 4.350 -0.066 0.000 0.197 121 E C 1.715 178.336 176.600 0.036 0.000 1.007 121 E CA 0.882 57.297 56.400 0.025 0.000 0.849 121 E CB -0.484 29.228 29.700 0.021 0.000 0.774 121 E HN 0.499 nan 8.360 nan 0.000 0.506 122 Q N 0.295 120.125 119.800 0.049 0.000 2.403 122 Q HA 0.021 4.321 4.340 -0.066 0.000 0.203 122 Q C 0.616 176.632 176.000 0.027 0.000 0.932 122 Q CA 0.374 56.210 55.803 0.054 0.000 0.945 122 Q CB 0.395 29.182 28.738 0.081 0.000 1.045 122 Q HN 0.217 nan 8.270 nan 0.000 0.511 123 T N -4.527 110.041 114.554 0.023 0.000 2.922 123 T HA 0.327 4.638 4.350 -0.066 0.000 0.281 123 T C 1.076 175.782 174.700 0.010 0.000 1.005 123 T CA -0.643 61.455 62.100 -0.004 0.000 0.982 123 T CB 1.660 70.561 68.868 0.054 0.000 1.158 123 T HN -0.193 nan 8.240 nan 0.000 0.566 124 S N 0.254 115.961 115.700 0.010 0.000 2.355 124 S HA 0.080 4.511 4.470 -0.066 0.000 0.222 124 S C 2.259 176.880 174.600 0.035 0.000 1.031 124 S CA 1.146 59.360 58.200 0.023 0.000 0.993 124 S CB -0.962 62.255 63.200 0.028 0.000 0.859 124 S HN 0.947 nan 8.310 nan 0.000 0.453 125 G N 0.672 109.506 108.800 0.056 0.000 2.464 125 G HA2 -0.044 3.876 3.960 -0.066 0.000 0.217 125 G HA3 -0.044 3.876 3.960 -0.066 0.000 0.217 125 G C 0.445 175.357 174.900 0.019 0.000 1.138 125 G CA 0.521 45.654 45.100 0.055 0.000 0.793 125 G HN 0.320 nan 8.290 nan 0.000 0.539 126 K N -0.976 119.433 120.400 0.015 0.000 3.500 126 K HA -0.213 4.067 4.320 -0.066 0.000 0.313 126 K C 1.032 177.595 176.600 -0.062 0.000 1.338 126 K CA 1.557 57.837 56.287 -0.010 0.000 0.963 126 K CB -1.359 31.135 32.500 -0.009 0.000 1.267 126 K HN 0.522 nan 8.250 nan 0.000 0.448 127 E N -0.310 119.818 120.200 -0.120 0.000 2.206 127 E HA 0.105 4.416 4.350 -0.066 0.000 0.195 127 E C 0.332 176.662 176.600 -0.450 0.000 0.935 127 E CA 0.563 56.762 56.400 -0.335 0.000 0.875 127 E CB 0.368 29.758 29.700 -0.517 0.000 0.841 127 E HN 0.359 nan 8.360 nan 0.000 0.477 128 H N -0.564 118.501 119.070 -0.008 0.000 2.679 128 H HA 0.327 4.843 4.556 -0.066 0.000 0.367 128 H C -2.245 173.044 175.328 -0.064 0.000 1.162 128 H CA -2.291 53.722 56.048 -0.058 0.000 1.181 128 H CB 1.358 31.087 29.762 -0.055 0.000 1.693 128 H HN 0.047 nan 8.280 nan 0.000 0.538 129 P HA 0.183 nan 4.420 nan 0.000 0.302 129 P C -1.105 176.184 177.300 -0.017 0.000 1.307 129 P CA -0.217 62.832 63.100 -0.085 0.000 0.754 129 P CB 1.547 33.082 31.700 -0.276 0.000 1.298 130 Y N -1.388 118.931 120.300 0.032 0.000 2.558 130 Y HA 0.543 5.048 4.550 -0.075 0.000 0.333 130 Y C -1.736 174.334 175.900 0.283 0.000 1.125 130 Y CA -1.009 57.183 58.100 0.152 0.000 1.039 130 Y CB 1.464 40.004 38.460 0.133 0.000 1.331 130 Y HN 0.294 nan 8.280 nan 0.000 0.456 131 L N 6.897 128.241 121.223 0.201 0.000 2.401 131 L HA 0.835 5.135 4.340 -0.066 0.000 0.266 131 L C -1.969 174.889 176.870 -0.020 0.000 0.991 131 L CA -0.748 54.028 54.840 -0.108 0.000 0.818 131 L CB 1.614 43.345 42.059 -0.548 0.000 1.321 131 L HN 0.476 nan 8.230 nan 0.000 0.413 132 F N 1.604 121.541 119.950 -0.022 0.000 2.613 132 F HA 0.901 5.393 4.527 -0.059 0.000 0.310 132 F C -0.732 175.112 175.800 0.073 0.000 1.085 132 F CA -0.631 57.411 58.000 0.070 0.000 0.945 132 F CB 1.220 40.364 39.000 0.239 0.000 1.298 132 F HN 0.604 nan 8.300 nan 0.000 0.455 133 S N 1.625 117.590 115.700 0.442 0.000 2.621 133 S HA 0.732 5.162 4.470 -0.066 0.000 0.302 133 S C -0.966 173.938 174.600 0.507 0.000 1.093 133 S CA -0.531 57.853 58.200 0.307 0.000 1.017 133 S CB 1.835 65.097 63.200 0.104 0.000 1.077 133 S HN 1.070 nan 8.310 nan 0.000 0.517 134 Q N 1.251 121.256 119.800 0.343 0.000 2.878 134 Q HA 0.425 4.725 4.340 -0.066 0.000 0.232 134 Q C -0.735 175.356 176.000 0.151 0.000 0.893 134 Q CA -0.487 55.476 55.803 0.268 0.000 0.742 134 Q CB 0.318 29.256 28.738 0.334 0.000 1.354 134 Q HN 0.690 nan 8.270 nan 0.000 0.466 135 C N 1.925 121.294 119.300 0.115 0.000 2.485 135 C HA 0.115 4.535 4.460 -0.066 0.000 0.277 135 C C 1.017 176.090 174.990 0.138 0.000 1.376 135 C CA 0.263 59.365 59.018 0.141 0.000 1.759 135 C CB -0.288 27.508 27.740 0.092 0.000 1.970 135 C HN 0.822 nan 8.230 nan 0.000 0.509 136 Q N 0.164 119.998 119.800 0.058 0.000 2.289 136 Q HA 0.325 4.625 4.340 -0.066 0.000 0.273 136 Q C 0.810 176.622 176.000 -0.313 0.000 1.029 136 Q CA 0.144 55.845 55.803 -0.169 0.000 0.896 136 Q CB 0.950 29.551 28.738 -0.229 0.000 1.182 136 Q HN 0.527 nan 8.270 nan 0.000 0.385 137 A N 4.824 127.282 122.820 -0.603 0.000 1.871 137 A HA 0.052 4.333 4.320 -0.066 0.000 0.211 137 A C 1.137 178.445 177.584 -0.460 0.000 1.207 137 A CA 0.741 52.139 52.037 -1.064 0.000 0.620 137 A CB 0.065 17.905 19.000 -1.935 0.000 0.860 137 A HN 0.823 nan 8.150 nan 0.000 0.450 138 I N -4.777 115.503 120.570 -0.485 0.000 3.061 138 I HA 0.440 4.571 4.170 -0.066 0.000 0.341 138 I C 0.110 175.995 176.117 -0.387 0.000 1.457 138 I CA -0.319 60.813 61.300 -0.280 0.000 0.921 138 I CB 0.176 38.072 38.000 -0.174 0.000 1.845 138 I HN 0.138 nan 8.210 nan 0.000 0.535 139 H N -0.302 118.758 119.070 -0.017 0.000 2.827 139 H HA 0.162 4.674 4.556 -0.074 0.000 0.269 139 H C 1.851 177.173 175.328 -0.010 0.000 1.031 139 H CA 0.108 56.152 56.048 -0.007 0.000 1.202 139 H CB 0.674 30.434 29.762 -0.003 0.000 1.511 139 H HN 0.681 nan 8.280 nan 0.000 0.517 140 C N 2.451 121.798 119.300 0.078 0.000 2.411 140 C HA -0.144 4.276 4.460 -0.066 0.000 0.279 140 C C 3.010 177.978 174.990 -0.037 0.000 1.288 140 C CA 1.234 60.261 59.018 0.014 0.000 1.764 140 C CB -0.741 27.002 27.740 0.006 0.000 1.974 140 C HN 0.624 nan 8.230 nan 0.000 0.498 141 R N 0.954 121.439 120.500 -0.026 0.000 2.193 141 R HA -0.005 4.295 4.340 -0.066 0.000 0.229 141 R C 1.800 178.067 176.300 -0.055 0.000 1.110 141 R CA 1.682 57.748 56.100 -0.056 0.000 0.988 141 R CB -0.624 29.653 30.300 -0.037 0.000 0.871 141 R HN 0.490 nan 8.270 nan 0.000 0.458 142 A N 0.697 123.514 122.820 -0.004 0.000 2.251 142 A HA 0.224 4.504 4.320 -0.066 0.000 0.209 142 A C 1.742 179.323 177.584 -0.005 0.000 1.187 142 A CA 0.170 52.217 52.037 0.018 0.000 0.823 142 A CB -0.068 18.981 19.000 0.082 0.000 0.846 142 A HN 0.335 nan 8.150 nan 0.000 0.486 143 I N -1.225 119.309 120.570 -0.059 0.000 3.194 143 I HA 0.209 4.339 4.170 -0.066 0.000 0.271 143 I C -0.020 175.921 176.117 -0.293 0.000 1.150 143 I CA 0.366 61.617 61.300 -0.081 0.000 1.440 143 I CB 0.451 38.405 38.000 -0.076 0.000 1.276 143 I HN 0.360 nan 8.210 nan 0.000 0.457 144 L N -2.655 118.327 121.223 -0.402 0.000 2.518 144 L HA 0.652 4.952 4.340 -0.066 0.000 0.257 144 L C -3.178 173.425 176.870 -0.446 0.000 0.980 144 L CA -1.965 52.431 54.840 -0.740 0.000 0.837 144 L CB 0.879 42.532 42.059 -0.677 0.000 1.410 144 L HN -0.282 nan 8.230 nan 0.000 0.410 145 P HA 0.374 nan 4.420 nan 0.000 0.271 145 P C -0.864 176.336 177.300 -0.167 0.000 1.226 145 P CA -0.266 62.696 63.100 -0.230 0.000 0.765 145 P CB 0.549 32.137 31.700 -0.187 0.000 0.835 146 C N 0.912 120.145 119.300 -0.110 0.000 3.321 146 C HA 0.421 4.841 4.460 -0.066 0.000 0.329 146 C C -0.790 174.176 174.990 -0.042 0.000 1.394 146 C CA -0.992 57.980 59.018 -0.077 0.000 1.291 146 C CB 0.850 28.538 27.740 -0.088 0.000 1.606 146 C HN 0.446 nan 8.230 nan 0.000 0.463 147 Q N 1.155 120.941 119.800 -0.024 0.000 2.369 147 Q HA 0.228 4.528 4.340 -0.066 0.000 0.247 147 Q C -0.640 175.365 176.000 0.009 0.000 1.083 147 Q CA 0.362 56.161 55.803 -0.006 0.000 0.905 147 Q CB 0.433 29.170 28.738 -0.002 0.000 1.305 147 Q HN 0.612 nan 8.270 nan 0.000 0.465 148 D N 2.623 123.037 120.400 0.023 0.000 2.741 148 D HA 0.070 4.670 4.640 -0.066 0.000 0.233 148 D C -1.037 175.328 176.300 0.110 0.000 1.160 148 D CA 0.162 54.198 54.000 0.061 0.000 1.003 148 D CB 0.234 41.062 40.800 0.046 0.000 1.064 148 D HN 0.339 nan 8.370 nan 0.000 0.503 149 T N 0.543 115.144 114.554 0.078 0.000 2.952 149 T HA 0.392 4.702 4.350 -0.066 0.000 0.305 149 T C -2.413 172.280 174.700 -0.012 0.000 1.064 149 T CA -1.682 60.433 62.100 0.025 0.000 1.008 149 T CB 2.040 70.904 68.868 -0.007 0.000 1.078 149 T HN -0.096 nan 8.240 nan 0.000 0.459 150 P HA 0.087 nan 4.420 nan 0.000 0.245 150 P C 1.082 178.321 177.300 -0.102 0.000 1.212 150 P CA 0.188 63.232 63.100 -0.094 0.000 0.774 150 P CB -0.068 31.424 31.700 -0.347 0.000 0.999 151 S N -1.707 113.930 115.700 -0.106 0.000 2.561 151 S HA 0.083 4.513 4.470 -0.066 0.000 0.225 151 S C 0.762 175.340 174.600 -0.036 0.000 0.977 151 S CA -0.064 58.092 58.200 -0.073 0.000 0.926 151 S CB -0.601 62.560 63.200 -0.065 0.000 0.769 151 S HN -0.078 nan 8.310 nan 0.000 0.533 152 V N 1.695 121.596 119.914 -0.022 0.000 2.495 152 V HA 0.483 4.563 4.120 -0.066 0.000 0.298 152 V C -0.527 175.566 176.094 -0.001 0.000 1.031 152 V CA -0.780 61.516 62.300 -0.007 0.000 0.871 152 V CB 1.857 33.679 31.823 -0.002 0.000 0.988 152 V HN 0.230 nan 8.190 nan 0.000 0.432 153 K N 5.586 125.991 120.400 0.009 0.000 2.376 153 K HA 0.792 5.072 4.320 -0.066 0.000 0.257 153 K C -1.213 175.404 176.600 0.028 0.000 0.939 153 K CA -0.589 55.710 56.287 0.020 0.000 0.809 153 K CB 2.246 34.769 32.500 0.037 0.000 1.121 153 K HN 0.657 nan 8.250 nan 0.000 0.425 154 L N -0.895 120.348 121.223 0.034 0.000 2.371 154 L HA 0.659 4.959 4.340 -0.066 0.000 0.262 154 L C 0.038 176.946 176.870 0.062 0.000 1.006 154 L CA -0.918 53.948 54.840 0.044 0.000 0.818 154 L CB 1.791 43.865 42.059 0.024 0.000 1.354 154 L HN 0.544 nan 8.230 nan 0.000 0.415 155 T N -1.322 113.275 114.554 0.072 0.000 2.862 155 T HA 0.705 5.015 4.350 -0.066 0.000 0.276 155 T C -0.660 173.983 174.700 -0.095 0.000 0.974 155 T CA -0.359 61.777 62.100 0.061 0.000 0.966 155 T CB 1.272 70.230 68.868 0.149 0.000 1.072 155 T HN 0.900 nan 8.240 nan 0.000 0.538 156 Y N -1.702 118.460 120.300 -0.230 0.000 2.624 156 Y HA 0.688 5.190 4.550 -0.079 0.000 0.334 156 Y C -0.986 174.876 175.900 -0.063 0.000 1.155 156 Y CA -1.146 56.703 58.100 -0.419 0.000 1.046 156 Y CB 1.003 39.316 38.460 -0.246 0.000 1.316 156 Y HN 1.053 nan 8.280 nan 0.000 0.457 157 T N 0.233 114.952 114.554 0.274 0.000 2.896 157 T HA 0.991 5.302 4.350 -0.066 0.000 0.297 157 T C -0.874 174.073 174.700 0.412 0.000 1.108 157 T CA -0.341 61.991 62.100 0.387 0.000 1.004 157 T CB 1.716 70.908 68.868 0.541 0.000 1.159 157 T HN 1.710 nan 8.240 nan 0.000 0.499 158 A N 1.156 124.189 122.820 0.356 0.000 2.594 158 A HA 0.792 5.072 4.320 -0.066 0.000 0.295 158 A C -1.506 176.227 177.584 0.248 0.000 1.071 158 A CA -1.023 51.135 52.037 0.202 0.000 0.685 158 A CB 1.524 20.719 19.000 0.325 0.000 1.285 158 A HN 0.867 nan 8.150 nan 0.000 0.405 159 E N 0.274 120.551 120.200 0.128 0.000 2.263 159 E HA 0.553 4.863 4.350 -0.066 0.000 0.268 159 E C -1.568 175.125 176.600 0.154 0.000 0.884 159 E CA -0.765 55.730 56.400 0.157 0.000 0.766 159 E CB 2.588 32.361 29.700 0.122 0.000 1.196 159 E HN 0.339 nan 8.360 nan 0.000 0.416 160 V N 2.071 122.121 119.914 0.226 0.000 2.409 160 V HA 0.278 4.359 4.120 -0.066 0.000 0.290 160 V C -0.296 175.920 176.094 0.203 0.000 1.017 160 V CA -0.761 61.667 62.300 0.212 0.000 0.841 160 V CB 1.638 33.632 31.823 0.285 0.000 1.003 160 V HN 0.649 nan 8.190 nan 0.000 0.426 161 S N 4.562 120.338 115.700 0.127 0.000 2.489 161 S HA 0.733 5.164 4.470 -0.066 0.000 0.277 161 S C -0.408 174.276 174.600 0.140 0.000 1.230 161 S CA -0.316 57.955 58.200 0.118 0.000 1.053 161 S CB 0.902 64.142 63.200 0.067 0.000 0.955 161 S HN 1.204 nan 8.310 nan 0.000 0.488 162 V N 2.602 122.629 119.914 0.188 0.000 3.049 162 V HA 0.731 4.811 4.120 -0.066 0.000 0.309 162 V C -3.102 173.119 176.094 0.212 0.000 1.148 162 V CA -2.864 59.571 62.300 0.225 0.000 0.990 162 V CB 1.280 33.258 31.823 0.258 0.000 1.039 162 V HN 0.607 nan 8.190 nan 0.000 0.430 163 P HA 0.107 nan 4.420 nan 0.000 0.261 163 P C 0.717 178.092 177.300 0.125 0.000 1.183 163 P CA 0.173 63.372 63.100 0.165 0.000 0.761 163 P CB 0.388 32.191 31.700 0.172 0.000 0.785 164 K N 4.550 125.007 120.400 0.094 0.000 2.286 164 K HA -0.210 4.070 4.320 -0.066 0.000 0.203 164 K C 0.971 177.612 176.600 0.067 0.000 1.045 164 K CA 1.442 57.776 56.287 0.079 0.000 0.935 164 K CB -0.223 32.305 32.500 0.047 0.000 0.737 164 K HN 0.392 nan 8.250 nan 0.000 0.460 165 E N 1.391 121.606 120.200 0.024 0.000 2.435 165 E HA 0.014 4.324 4.350 -0.066 0.000 0.195 165 E C 0.866 177.391 176.600 -0.126 0.000 1.029 165 E CA 0.179 56.548 56.400 -0.051 0.000 0.865 165 E CB -0.219 29.433 29.700 -0.080 0.000 0.833 165 E HN 0.386 nan 8.360 nan 0.000 0.510 166 L N 0.620 121.806 121.223 -0.061 0.000 2.416 166 L HA 0.448 4.748 4.340 -0.066 0.000 0.263 166 L C -0.004 176.882 176.870 0.025 0.000 1.065 166 L CA -1.184 53.614 54.840 -0.069 0.000 0.798 166 L CB 1.390 43.416 42.059 -0.056 0.000 1.267 166 L HN -0.231 nan 8.230 nan 0.000 0.467 167 V N 0.123 119.969 119.914 -0.113 0.000 2.588 167 V HA 0.638 4.718 4.120 -0.066 0.000 0.304 167 V C -0.116 175.664 176.094 -0.523 0.000 1.042 167 V CA -0.661 61.424 62.300 -0.357 0.000 0.877 167 V CB 1.650 33.357 31.823 -0.193 0.000 0.996 167 V HN 0.831 nan 8.190 nan 0.000 0.425 168 A N 5.656 127.894 122.820 -0.970 0.000 2.305 168 A HA 0.934 5.214 4.320 -0.066 0.000 0.322 168 A C -0.886 176.489 177.584 -0.348 0.000 1.187 168 A CA -0.445 51.297 52.037 -0.491 0.000 0.825 168 A CB 0.694 19.602 19.000 -0.154 0.000 1.164 168 A HN 0.794 nan 8.150 nan 0.000 0.498 169 L N 2.168 123.177 121.223 -0.356 0.000 2.401 169 L HA 0.645 4.945 4.340 -0.066 0.000 0.266 169 L C -0.272 176.266 176.870 -0.554 0.000 0.991 169 L CA -0.283 54.312 54.840 -0.408 0.000 0.818 169 L CB 2.196 43.922 42.059 -0.554 0.000 1.321 169 L HN 0.779 nan 8.230 nan 0.000 0.413 170 M N 0.225 119.374 119.600 -0.751 0.000 2.745 170 M HA 0.346 4.786 4.480 -0.066 0.000 0.290 170 M C -0.028 176.138 176.300 -0.224 0.000 1.262 170 M CA -0.762 54.215 55.300 -0.538 0.000 0.795 170 M CB 2.264 34.376 32.600 -0.815 0.000 1.758 170 M HN 0.522 nan 8.290 nan 0.000 0.461 171 S N 0.359 116.003 115.700 -0.094 0.000 4.183 171 S HA 0.677 5.107 4.470 -0.066 0.000 0.195 171 S C -0.391 174.209 174.600 0.000 0.000 1.421 171 S CA -0.428 57.740 58.200 -0.054 0.000 0.920 171 S CB -0.954 62.185 63.200 -0.101 0.000 1.525 171 S HN 0.741 nan 8.310 nan 0.000 0.447 172 A N 2.130 124.943 122.820 -0.012 0.000 2.567 172 A HA 0.557 4.837 4.320 -0.066 0.000 0.291 172 A C -0.881 176.768 177.584 0.108 0.000 1.048 172 A CA -0.943 51.084 52.037 -0.016 0.000 0.661 172 A CB 0.495 19.441 19.000 -0.091 0.000 1.288 172 A HN 0.392 nan 8.150 nan 0.000 0.424 173 I N 1.470 122.104 120.570 0.107 0.000 2.496 173 I HA 0.183 4.313 4.170 -0.066 0.000 0.285 173 I C 0.986 177.213 176.117 0.182 0.000 1.080 173 I CA 0.172 61.554 61.300 0.137 0.000 1.404 173 I CB 0.394 38.451 38.000 0.094 0.000 1.403 173 I HN 0.652 nan 8.210 nan 0.000 0.539 174 R N 3.830 124.436 120.500 0.177 0.000 2.442 174 R HA 0.023 4.323 4.340 -0.066 0.000 0.291 174 R C -0.040 176.255 176.300 -0.008 0.000 1.069 174 R CA 0.020 56.176 56.100 0.094 0.000 1.022 174 R CB 0.480 30.850 30.300 0.117 0.000 0.976 174 R HN 0.467 nan 8.270 nan 0.000 0.443 175 D N 1.565 121.880 120.400 -0.141 0.000 2.593 175 D HA 0.205 4.805 4.640 -0.066 0.000 0.241 175 D C 0.072 176.306 176.300 -0.109 0.000 1.257 175 D CA 0.468 54.414 54.000 -0.090 0.000 0.828 175 D CB 0.423 41.181 40.800 -0.070 0.000 1.049 175 D HN 0.779 nan 8.370 nan 0.000 0.490 176 G N 0.844 109.577 108.800 -0.111 0.000 2.603 176 G HA2 0.028 3.948 3.960 -0.066 0.000 0.686 176 G HA3 0.028 3.948 3.960 -0.066 0.000 0.686 176 G C -0.873 173.926 174.900 -0.169 0.000 1.286 176 G CA -0.383 44.658 45.100 -0.099 0.000 0.871 176 G HN 0.355 nan 8.290 nan 0.000 0.568 177 E N -1.819 118.269 120.200 -0.187 0.000 2.390 177 E HA 0.817 5.128 4.350 -0.066 0.000 0.277 177 E C -0.452 176.003 176.600 -0.241 0.000 0.939 177 E CA -0.455 55.738 56.400 -0.346 0.000 0.769 177 E CB 2.366 31.732 29.700 -0.557 0.000 1.251 177 E HN 1.495 nan 8.360 nan 0.000 0.450 178 T N -1.381 113.024 114.554 -0.249 0.000 2.853 178 T HA 0.494 4.804 4.350 -0.066 0.000 0.311 178 T C -2.977 171.640 174.700 -0.138 0.000 1.307 178 T CA -2.044 59.965 62.100 -0.151 0.000 1.019 178 T CB 1.161 69.972 68.868 -0.095 0.000 1.264 178 T HN 0.251 nan 8.240 nan 0.000 0.497 179 P HA 0.183 nan 4.420 nan 0.000 0.266 179 P C -0.570 176.703 177.300 -0.045 0.000 1.193 179 P CA -0.039 63.027 63.100 -0.058 0.000 0.770 179 P CB 0.278 31.957 31.700 -0.034 0.000 0.836 180 D N 3.377 123.761 120.400 -0.026 0.000 2.343 180 D HA 0.068 4.668 4.640 -0.066 0.000 0.255 180 D C -1.478 174.819 176.300 -0.006 0.000 1.187 180 D CA -1.929 52.064 54.000 -0.011 0.000 0.875 180 D CB 0.557 41.361 40.800 0.006 0.000 1.136 180 D HN 0.133 nan 8.370 nan 0.000 0.469 181 P HA -0.073 nan 4.420 nan 0.000 0.218 181 P C 0.540 177.841 177.300 0.002 0.000 1.149 181 P CA 0.939 64.038 63.100 -0.003 0.000 0.817 181 P CB 0.303 32.002 31.700 -0.002 0.000 0.785 182 E N -1.149 119.054 120.200 0.004 0.000 2.502 182 E HA -0.001 4.310 4.350 -0.066 0.000 0.194 182 E C -0.114 176.491 176.600 0.008 0.000 1.062 182 E CA 0.272 56.675 56.400 0.006 0.000 0.867 182 E CB -0.006 29.698 29.700 0.005 0.000 0.888 182 E HN 0.135 nan 8.360 nan 0.000 0.510 183 D N -0.638 119.768 120.400 0.010 0.000 2.227 183 D HA -0.007 4.593 4.640 -0.066 0.000 0.176 183 D C -2.484 173.826 176.300 0.017 0.000 1.228 183 D CA -0.875 53.134 54.000 0.016 0.000 1.043 183 D CB 0.928 41.741 40.800 0.022 0.000 1.758 183 D HN -0.186 nan 8.370 nan 0.000 0.544 184 P HA -0.011 nan 4.420 nan 0.000 0.242 184 P C 0.933 178.245 177.300 0.020 0.000 1.197 184 P CA 0.288 63.395 63.100 0.012 0.000 0.765 184 P CB 0.040 31.745 31.700 0.009 0.000 0.936 185 S N -1.547 114.170 115.700 0.029 0.000 2.603 185 S HA 0.119 4.549 4.470 -0.066 0.000 0.220 185 S C 0.917 175.548 174.600 0.051 0.000 0.967 185 S CA -0.371 57.852 58.200 0.040 0.000 0.920 185 S CB -0.302 62.926 63.200 0.045 0.000 0.773 185 S HN 0.095 nan 8.310 nan 0.000 0.529 186 R N 0.295 120.821 120.500 0.044 0.000 2.873 186 R HA 0.651 4.951 4.340 -0.066 0.000 0.264 186 R C -0.869 175.446 176.300 0.026 0.000 1.026 186 R CA -0.813 55.320 56.100 0.055 0.000 1.002 186 R CB 1.336 31.674 30.300 0.062 0.000 1.174 186 R HN 0.105 nan 8.270 nan 0.000 0.488 187 K N 1.076 121.495 120.400 0.031 0.000 2.328 187 K HA 0.521 4.801 4.320 -0.066 0.000 0.246 187 K C -0.795 175.769 176.600 -0.061 0.000 0.955 187 K CA -0.667 55.577 56.287 -0.071 0.000 0.817 187 K CB 2.017 34.415 32.500 -0.169 0.000 1.208 187 K HN 0.361 nan 8.250 nan 0.000 0.432 188 I N 2.668 123.143 120.570 -0.159 0.000 2.378 188 I HA 0.282 4.413 4.170 -0.066 0.000 0.291 188 I C -1.044 174.931 176.117 -0.238 0.000 0.992 188 I CA -0.774 60.478 61.300 -0.080 0.000 1.154 188 I CB 0.866 38.847 38.000 -0.032 0.000 1.315 188 I HN 0.443 nan 8.210 nan 0.000 0.448 189 Y N 5.357 125.640 120.300 -0.027 0.000 2.361 189 Y HA 0.515 5.028 4.550 -0.061 0.000 0.332 189 Y C -0.030 175.656 175.900 -0.356 0.000 1.101 189 Y CA -0.515 57.469 58.100 -0.194 0.000 1.137 189 Y CB 1.576 39.991 38.460 -0.076 0.000 1.207 189 Y HN 0.383 nan 8.280 nan 0.000 0.463 190 K N 2.659 122.741 120.400 -0.531 0.000 2.385 190 K HA 0.736 5.016 4.320 -0.066 0.000 0.248 190 K C -1.823 174.284 176.600 -0.822 0.000 0.955 190 K CA -0.804 55.237 56.287 -0.409 0.000 0.816 190 K CB 2.101 34.513 32.500 -0.147 0.000 1.250 190 K HN 0.392 nan 8.250 nan 0.000 0.434 191 F N 1.129 121.141 119.950 0.104 0.000 2.628 191 F HA 0.502 4.997 4.527 -0.053 0.000 0.309 191 F C -0.880 174.934 175.800 0.023 0.000 1.108 191 F CA -0.876 57.162 58.000 0.063 0.000 0.971 191 F CB 1.523 40.579 39.000 0.094 0.000 1.279 191 F HN 0.337 nan 8.300 nan 0.000 0.441 192 I N 2.470 123.113 120.570 0.122 0.000 2.499 192 I HA 0.547 4.677 4.170 -0.066 0.000 0.288 192 I C -1.571 174.458 176.117 -0.145 0.000 1.048 192 I CA -0.481 60.814 61.300 -0.008 0.000 1.062 192 I CB 1.653 39.670 38.000 0.029 0.000 1.238 192 I HN 0.635 nan 8.210 nan 0.000 0.426 193 Q N 6.915 126.503 119.800 -0.354 0.000 2.381 193 Q HA 0.338 4.638 4.340 -0.066 0.000 0.263 193 Q C -0.252 175.655 176.000 -0.155 0.000 1.030 193 Q CA -0.470 55.133 55.803 -0.332 0.000 0.772 193 Q CB 1.342 29.647 28.738 -0.721 0.000 1.232 193 Q HN 0.730 nan 8.270 nan 0.000 0.476 194 K N 1.758 122.111 120.400 -0.079 0.000 2.374 194 K HA 0.225 4.505 4.320 -0.066 0.000 0.196 194 K C -0.412 176.128 176.600 -0.100 0.000 1.023 194 K CA -0.042 56.208 56.287 -0.063 0.000 1.103 194 K CB 0.637 33.098 32.500 -0.065 0.000 0.848 194 K HN 0.300 nan 8.250 nan 0.000 0.528 195 V N 3.790 123.639 119.914 -0.108 0.000 2.394 195 V HA 0.261 4.342 4.120 -0.066 0.000 0.282 195 V C -2.412 173.674 176.094 -0.012 0.000 1.031 195 V CA -2.445 59.754 62.300 -0.169 0.000 0.881 195 V CB 1.206 32.734 31.823 -0.492 0.000 0.982 195 V HN 0.126 nan 8.190 nan 0.000 0.451 196 P HA 0.211 nan 4.420 nan 0.000 0.263 196 P C -0.594 176.782 177.300 0.127 0.000 1.195 196 P CA 0.394 63.527 63.100 0.056 0.000 0.762 196 P CB 0.175 31.895 31.700 0.033 0.000 0.799 197 I N 1.123 121.758 120.570 0.107 0.000 2.828 197 I HA 0.696 4.826 4.170 -0.066 0.000 0.302 197 I C -2.786 173.325 176.117 -0.011 0.000 1.101 197 I CA -3.478 57.868 61.300 0.077 0.000 1.031 197 I CB 2.733 40.786 38.000 0.089 0.000 1.231 197 I HN 0.055 nan 8.210 nan 0.000 0.427 198 P HA 0.034 nan 4.420 nan 0.000 0.271 198 P C 0.928 178.129 177.300 -0.165 0.000 1.218 198 P CA -0.275 62.756 63.100 -0.116 0.000 0.780 198 P CB 1.082 32.701 31.700 -0.136 0.000 0.901 199 C N 1.243 120.510 119.300 -0.055 0.000 2.422 199 C HA -0.133 4.288 4.460 -0.066 0.000 0.286 199 C C 2.544 177.510 174.990 -0.040 0.000 1.412 199 C CA 0.424 59.405 59.018 -0.061 0.000 1.786 199 C CB -2.643 25.079 27.740 -0.031 0.000 1.835 199 C HN 0.645 nan 8.230 nan 0.000 0.533 200 Y N 0.563 120.891 120.300 0.047 0.000 2.574 200 Y HA 0.275 4.752 4.550 -0.120 0.000 0.294 200 Y C 1.852 177.746 175.900 -0.011 0.000 1.142 200 Y CA 0.497 58.635 58.100 0.063 0.000 1.314 200 Y CB -0.843 37.747 38.460 0.218 0.000 0.991 200 Y HN 0.267 nan 8.280 nan 0.000 0.555 201 L N 0.758 121.709 121.223 -0.454 0.000 2.558 201 L HA 0.190 4.490 4.340 -0.066 0.000 0.225 201 L C 0.372 177.110 176.870 -0.219 0.000 1.128 201 L CA -0.067 54.544 54.840 -0.383 0.000 0.868 201 L CB -0.036 41.742 42.059 -0.468 0.000 1.006 201 L HN 0.173 nan 8.230 nan 0.000 0.454 202 I N 0.955 121.407 120.570 -0.197 0.000 2.533 202 I HA 0.192 4.322 4.170 -0.066 0.000 0.284 202 I C 0.369 176.359 176.117 -0.211 0.000 1.109 202 I CA 0.140 61.289 61.300 -0.252 0.000 1.412 202 I CB 0.761 38.523 38.000 -0.396 0.000 1.396 202 I HN 0.009 nan 8.210 nan 0.000 0.543 203 A N 7.056 129.752 122.820 -0.206 0.000 2.549 203 A HA 0.855 5.135 4.320 -0.066 0.000 0.297 203 A C -1.634 175.890 177.584 -0.100 0.000 1.061 203 A CA -0.480 51.459 52.037 -0.165 0.000 0.690 203 A CB 1.791 20.562 19.000 -0.380 0.000 1.287 203 A HN 0.539 nan 8.150 nan 0.000 0.402 204 L N 1.781 123.002 121.223 -0.003 0.000 2.431 204 L HA 0.829 5.129 4.340 -0.066 0.000 0.266 204 L C -1.273 175.613 176.870 0.027 0.000 0.978 204 L CA -0.582 54.217 54.840 -0.069 0.000 0.822 204 L CB 1.997 43.972 42.059 -0.140 0.000 1.310 204 L HN 1.053 nan 8.230 nan 0.000 0.409 205 V N 5.527 125.381 119.914 -0.099 0.000 2.735 205 V HA 0.846 4.927 4.120 -0.066 0.000 0.310 205 V C -1.564 174.354 176.094 -0.294 0.000 1.061 205 V CA -0.371 61.814 62.300 -0.191 0.000 0.913 205 V CB 2.377 34.004 31.823 -0.327 0.000 1.005 205 V HN 0.560 nan 8.190 nan 0.000 0.428 206 V N 6.113 125.833 119.914 -0.323 0.000 2.482 206 V HA 0.987 5.067 4.120 -0.066 0.000 0.295 206 V C 0.432 176.292 176.094 -0.391 0.000 1.026 206 V CA 0.518 62.670 62.300 -0.247 0.000 0.856 206 V CB 0.913 32.739 31.823 0.006 0.000 1.001 206 V HN 1.330 nan 8.190 nan 0.000 0.424 207 G N 2.861 111.411 108.800 -0.417 0.000 2.554 207 G HA2 0.631 4.552 3.960 -0.066 0.000 0.306 207 G HA3 0.631 4.552 3.960 -0.066 0.000 0.306 207 G C -0.985 173.815 174.900 -0.166 0.000 1.320 207 G CA -0.090 44.778 45.100 -0.388 0.000 0.800 207 G HN 0.974 nan 8.290 nan 0.000 0.481 208 A N 0.472 123.275 122.820 -0.028 0.000 2.922 208 A HA 0.648 4.928 4.320 -0.066 0.000 0.298 208 A C 0.055 177.694 177.584 0.093 0.000 1.588 208 A CA -0.072 51.967 52.037 0.003 0.000 1.288 208 A CB -0.967 18.078 19.000 0.076 0.000 1.130 208 A HN 0.479 nan 8.150 nan 0.000 0.557 209 L N 1.381 122.656 121.223 0.087 0.000 2.344 209 L HA 0.570 4.870 4.340 -0.066 0.000 0.272 209 L C 0.224 177.229 176.870 0.226 0.000 1.035 209 L CA -0.492 54.460 54.840 0.188 0.000 0.807 209 L CB 1.591 43.778 42.059 0.213 0.000 1.237 209 L HN 0.579 nan 8.230 nan 0.000 0.442 210 E N 0.851 121.167 120.200 0.194 0.000 2.369 210 E HA 0.575 4.885 4.350 -0.066 0.000 0.270 210 E C -1.347 175.151 176.600 -0.170 0.000 0.909 210 E CA -0.698 55.726 56.400 0.041 0.000 0.775 210 E CB 2.510 32.217 29.700 0.011 0.000 1.270 210 E HN 0.599 nan 8.360 nan 0.000 0.445 211 S N 0.917 116.323 115.700 -0.491 0.000 2.570 211 S HA 0.733 5.163 4.470 -0.066 0.000 0.286 211 S C -0.616 173.723 174.600 -0.435 0.000 1.099 211 S CA -1.005 56.694 58.200 -0.835 0.000 0.913 211 S CB 2.574 64.652 63.200 -1.869 0.000 1.085 211 S HN 0.578 nan 8.310 nan 0.000 0.480 212 R N 0.946 121.244 120.500 -0.338 0.000 2.621 212 R HA 0.403 4.703 4.340 -0.066 0.000 0.284 212 R C -1.085 175.129 176.300 -0.143 0.000 0.998 212 R CA -0.476 55.517 56.100 -0.179 0.000 0.895 212 R CB 1.754 31.999 30.300 -0.091 0.000 1.195 212 R HN 0.870 nan 8.270 nan 0.000 0.450 213 Q N 4.236 123.980 119.800 -0.092 0.000 2.304 213 Q HA 0.205 4.505 4.340 -0.066 0.000 0.260 213 Q C 0.419 176.417 176.000 -0.003 0.000 0.965 213 Q CA 0.047 55.825 55.803 -0.042 0.000 0.898 213 Q CB 0.847 29.574 28.738 -0.020 0.000 1.196 213 Q HN 0.789 nan 8.270 nan 0.000 0.402 214 I N 0.065 120.651 120.570 0.026 0.000 4.338 214 I HA 0.587 4.717 4.170 -0.066 0.000 0.329 214 I C 0.318 176.468 176.117 0.056 0.000 1.378 214 I CA -0.292 61.037 61.300 0.047 0.000 1.170 214 I CB 1.065 39.111 38.000 0.077 0.000 1.206 214 I HN 0.518 nan 8.210 nan 0.000 0.432 215 G N 1.285 110.120 108.800 0.058 0.000 2.600 215 G HA2 0.444 4.364 3.960 -0.066 0.000 0.293 215 G HA3 0.444 4.364 3.960 -0.066 0.000 0.293 215 G C -2.699 172.236 174.900 0.059 0.000 1.408 215 G CA -0.517 44.619 45.100 0.060 0.000 0.782 215 G HN -0.234 nan 8.290 nan 0.000 0.482 216 P HA -0.018 nan 4.420 nan 0.000 0.221 216 P C 0.889 178.236 177.300 0.078 0.000 1.150 216 P CA 0.848 63.984 63.100 0.059 0.000 0.800 216 P CB 0.226 31.958 31.700 0.053 0.000 0.787 217 R N -1.656 118.899 120.500 0.091 0.000 2.659 217 R HA 0.380 4.680 4.340 -0.066 0.000 0.418 217 R C -0.679 175.712 176.300 0.151 0.000 1.076 217 R CA -0.274 55.901 56.100 0.124 0.000 1.093 217 R CB -0.202 30.178 30.300 0.133 0.000 1.400 217 R HN -0.179 nan 8.270 nan 0.000 0.583 218 T N 1.578 116.209 114.554 0.129 0.000 2.937 218 T HA 0.382 4.692 4.350 -0.066 0.000 0.297 218 T C -1.238 173.517 174.700 0.090 0.000 0.991 218 T CA -0.595 61.589 62.100 0.139 0.000 0.990 218 T CB 1.834 70.804 68.868 0.171 0.000 0.991 218 T HN -0.050 nan 8.240 nan 0.000 0.440 219 L N 2.974 124.249 121.223 0.086 0.000 2.322 219 L HA 0.639 4.939 4.340 -0.066 0.000 0.279 219 L C 0.090 176.942 176.870 -0.029 0.000 1.036 219 L CA -0.806 54.008 54.840 -0.042 0.000 0.807 219 L CB 1.637 43.611 42.059 -0.143 0.000 1.226 219 L HN 0.474 nan 8.230 nan 0.000 0.433 220 V N 3.129 122.992 119.914 -0.086 0.000 2.509 220 V HA 0.456 4.536 4.120 -0.066 0.000 0.284 220 V C -1.306 174.701 176.094 -0.144 0.000 1.047 220 V CA -0.349 61.955 62.300 0.007 0.000 0.952 220 V CB 1.159 33.059 31.823 0.128 0.000 0.988 220 V HN 0.733 nan 8.190 nan 0.000 0.469 221 W N 5.079 126.384 121.300 0.008 0.000 2.656 221 W HA 0.762 5.382 4.660 -0.066 0.000 0.327 221 W C 0.049 176.562 176.519 -0.009 0.000 1.041 221 W CA -0.067 57.272 57.345 -0.010 0.000 1.229 221 W CB 2.085 31.512 29.460 -0.054 0.000 1.397 221 W HN 0.817 nan 8.180 nan 0.000 0.479 222 S N 0.116 115.944 115.700 0.214 0.000 2.661 222 S HA 0.441 4.871 4.470 -0.066 0.000 0.268 222 S C -0.821 173.878 174.600 0.164 0.000 1.162 222 S CA -1.281 57.018 58.200 0.165 0.000 0.817 222 S CB 1.352 64.620 63.200 0.113 0.000 1.141 222 S HN 0.462 nan 8.310 nan 0.000 0.477 223 E N 0.763 121.058 120.200 0.157 0.000 2.422 223 E HA 0.103 4.414 4.350 -0.066 0.000 0.260 223 E C 0.818 177.473 176.600 0.091 0.000 1.108 223 E CA -0.190 56.293 56.400 0.138 0.000 0.943 223 E CB 0.490 30.269 29.700 0.131 0.000 0.961 223 E HN 0.649 nan 8.360 nan 0.000 0.443 224 K N 1.781 122.229 120.400 0.081 0.000 2.089 224 K HA -0.226 4.055 4.320 -0.066 0.000 0.210 224 K C 1.590 178.215 176.600 0.041 0.000 1.048 224 K CA 1.873 58.193 56.287 0.055 0.000 0.926 224 K CB 0.116 32.648 32.500 0.054 0.000 0.714 224 K HN 0.445 nan 8.250 nan 0.000 0.448 225 E N -0.014 120.212 120.200 0.043 0.000 2.338 225 E HA -0.193 4.117 4.350 -0.066 0.000 0.197 225 E C 1.326 177.941 176.600 0.025 0.000 1.007 225 E CA 1.034 57.451 56.400 0.029 0.000 0.849 225 E CB -0.004 29.712 29.700 0.027 0.000 0.774 225 E HN 0.406 nan 8.360 nan 0.000 0.506 226 Q N 0.110 119.931 119.800 0.035 0.000 2.281 226 Q HA 0.146 4.447 4.340 -0.066 0.000 0.215 226 Q C 2.066 178.089 176.000 0.038 0.000 0.867 226 Q CA 0.070 55.895 55.803 0.035 0.000 0.940 226 Q CB 0.600 29.367 28.738 0.048 0.000 1.111 226 Q HN 0.066 nan 8.270 nan 0.000 0.513 227 V N 0.885 120.819 119.914 0.035 0.000 2.255 227 V HA -0.321 3.760 4.120 -0.066 0.000 0.247 227 V C 2.176 178.283 176.094 0.022 0.000 1.051 227 V CA 2.365 64.681 62.300 0.027 0.000 1.018 227 V CB -0.419 31.407 31.823 0.004 0.000 0.641 227 V HN 0.482 nan 8.190 nan 0.000 0.445 228 E N 0.397 120.604 120.200 0.013 0.000 2.031 228 E HA -0.318 3.992 4.350 -0.066 0.000 0.193 228 E C 2.315 178.926 176.600 0.017 0.000 0.994 228 E CA 1.918 58.325 56.400 0.013 0.000 0.800 228 E CB -0.154 29.545 29.700 -0.001 0.000 0.752 228 E HN 0.567 nan 8.360 nan 0.000 0.447 229 K N 0.103 120.502 120.400 -0.003 0.000 2.063 229 K HA -0.137 4.143 4.320 -0.066 0.000 0.208 229 K C 2.183 178.754 176.600 -0.048 0.000 1.048 229 K CA 1.880 58.154 56.287 -0.021 0.000 0.928 229 K CB -0.071 32.410 32.500 -0.032 0.000 0.713 229 K HN 0.000 nan 8.250 nan 0.000 0.442 230 S N 0.388 116.068 115.700 -0.033 0.000 2.383 230 S HA -0.102 4.328 4.470 -0.066 0.000 0.227 230 S C 2.031 176.607 174.600 -0.039 0.000 1.026 230 S CA 1.004 59.161 58.200 -0.072 0.000 0.981 230 S CB -0.270 63.035 63.200 0.174 0.000 0.818 230 S HN 0.532 nan 8.310 nan 0.000 0.472 231 A N 0.479 123.327 122.820 0.048 0.000 1.933 231 A HA -0.121 4.159 4.320 -0.066 0.000 0.218 231 A C 1.956 179.573 177.584 0.055 0.000 1.175 231 A CA 1.493 53.575 52.037 0.075 0.000 0.628 231 A CB -0.828 18.208 19.000 0.059 0.000 0.814 231 A HN 0.597 nan 8.150 nan 0.000 0.444 232 Y N 0.162 120.417 120.300 -0.076 0.000 2.184 232 Y HA -0.103 4.408 4.550 -0.066 0.000 0.290 232 Y C 2.349 178.169 175.900 -0.134 0.000 1.129 232 Y CA 2.097 60.151 58.100 -0.077 0.000 1.144 232 Y CB -0.223 38.193 38.460 -0.074 0.000 0.995 232 Y HN 0.366 nan 8.280 nan 0.000 0.513 233 E N -0.120 119.965 120.200 -0.192 0.000 2.118 233 E HA -0.184 4.126 4.350 -0.066 0.000 0.195 233 E C 0.840 177.192 176.600 -0.414 0.000 0.992 233 E CA 1.633 57.758 56.400 -0.457 0.000 0.804 233 E CB -0.342 28.772 29.700 -0.977 0.000 0.741 233 E HN 0.476 nan 8.360 nan 0.000 0.458 234 F N -0.455 119.516 119.950 0.034 0.000 2.647 234 F HA 0.242 4.747 4.527 -0.037 0.000 0.300 234 F C 1.722 177.538 175.800 0.026 0.000 1.106 234 F CA 0.151 58.183 58.000 0.054 0.000 1.313 234 F CB -0.314 38.739 39.000 0.088 0.000 1.007 234 F HN -0.028 nan 8.300 nan 0.000 0.536 235 S N -0.874 114.856 115.700 0.051 0.000 2.474 235 S HA -0.160 4.270 4.470 -0.066 0.000 0.235 235 S C 1.405 176.026 174.600 0.034 0.000 0.997 235 S CA 0.949 59.154 58.200 0.009 0.000 0.949 235 S CB -0.433 62.697 63.200 -0.116 0.000 0.766 235 S HN 0.506 nan 8.310 nan 0.000 0.517 236 E N 0.848 121.089 120.200 0.069 0.000 2.511 236 E HA 0.027 4.337 4.350 -0.066 0.000 0.196 236 E C 1.472 178.123 176.600 0.084 0.000 1.066 236 E CA 0.568 57.013 56.400 0.074 0.000 0.871 236 E CB -0.256 29.514 29.700 0.118 0.000 0.863 236 E HN 0.529 nan 8.360 nan 0.000 0.520 237 T N 1.111 115.738 114.554 0.122 0.000 2.635 237 T HA -0.248 4.063 4.350 -0.066 0.000 0.267 237 T C 1.799 176.527 174.700 0.047 0.000 1.040 237 T CA 1.814 63.986 62.100 0.119 0.000 1.156 237 T CB -0.146 68.841 68.868 0.198 0.000 0.863 237 T HN 0.194 nan 8.240 nan 0.000 0.430 238 E N 1.520 121.749 120.200 0.049 0.000 2.077 238 E HA -0.117 4.193 4.350 -0.066 0.000 0.193 238 E C 2.353 178.951 176.600 -0.004 0.000 0.989 238 E CA 1.830 58.240 56.400 0.017 0.000 0.800 238 E CB -0.492 29.227 29.700 0.032 0.000 0.746 238 E HN 0.540 nan 8.360 nan 0.000 0.452 239 S N -0.378 115.322 115.700 0.000 0.000 2.399 239 S HA -0.172 4.258 4.470 -0.066 0.000 0.231 239 S C 2.113 176.697 174.600 -0.027 0.000 1.022 239 S CA 1.354 59.544 58.200 -0.016 0.000 0.983 239 S CB -0.399 62.785 63.200 -0.025 0.000 0.803 239 S HN 0.313 nan 8.310 nan 0.000 0.480 240 M N 0.732 120.321 119.600 -0.018 0.000 2.175 240 M HA 0.069 4.509 4.480 -0.066 0.000 0.264 240 M C 2.196 178.473 176.300 -0.039 0.000 1.063 240 M CA 1.231 56.520 55.300 -0.019 0.000 1.119 240 M CB -0.625 31.983 32.600 0.015 0.000 1.377 240 M HN 0.304 nan 8.290 nan 0.000 0.415 241 L N 0.106 121.287 121.223 -0.072 0.000 2.012 241 L HA -0.243 4.057 4.340 -0.066 0.000 0.210 241 L C 2.470 179.339 176.870 -0.002 0.000 1.073 241 L CA 1.516 56.309 54.840 -0.077 0.000 0.748 241 L CB -0.539 41.408 42.059 -0.186 0.000 0.891 241 L HN 0.244 nan 8.230 nan 0.000 0.431 242 K N 0.033 120.426 120.400 -0.011 0.000 2.063 242 K HA -0.174 4.106 4.320 -0.066 0.000 0.208 242 K C 2.026 178.615 176.600 -0.019 0.000 1.048 242 K CA 1.494 57.782 56.287 0.003 0.000 0.928 242 K CB -0.221 32.279 32.500 -0.001 0.000 0.713 242 K HN 0.225 nan 8.250 nan 0.000 0.442 243 I N 0.674 121.221 120.570 -0.038 0.000 2.252 243 I HA -0.254 3.876 4.170 -0.066 0.000 0.245 243 I C 2.447 178.497 176.117 -0.113 0.000 1.102 243 I CA 1.050 62.315 61.300 -0.058 0.000 1.385 243 I CB -0.337 37.634 38.000 -0.048 0.000 1.064 243 I HN 0.144 nan 8.210 nan 0.000 0.414 244 A N 0.408 123.149 122.820 -0.132 0.000 1.908 244 A HA -0.254 4.026 4.320 -0.066 0.000 0.218 244 A C 2.237 179.461 177.584 -0.600 0.000 1.181 244 A CA 1.854 53.690 52.037 -0.334 0.000 0.627 244 A CB -0.642 18.249 19.000 -0.182 0.000 0.818 244 A HN 0.450 nan 8.150 nan 0.000 0.445 245 E N -0.790 119.283 120.200 -0.211 0.000 2.110 245 E HA -0.235 4.075 4.350 -0.066 0.000 0.193 245 E C 1.734 178.266 176.600 -0.113 0.000 0.988 245 E CA 1.213 57.590 56.400 -0.038 0.000 0.804 245 E CB -0.191 29.613 29.700 0.174 0.000 0.745 245 E HN 0.711 nan 8.360 nan 0.000 0.458 246 D N 0.314 120.650 120.400 -0.106 0.000 2.149 246 D HA -0.141 4.459 4.640 -0.066 0.000 0.198 246 D C 1.796 178.008 176.300 -0.146 0.000 0.990 246 D CA 0.978 54.924 54.000 -0.092 0.000 0.839 246 D CB 0.089 40.851 40.800 -0.063 0.000 0.948 246 D HN 0.098 nan 8.370 nan 0.000 0.460 247 L N -1.335 119.747 121.223 -0.235 0.000 2.202 247 L HA 0.257 4.557 4.340 -0.066 0.000 0.205 247 L C 2.342 179.012 176.870 -0.334 0.000 1.083 247 L CA 0.996 55.690 54.840 -0.243 0.000 0.790 247 L CB -0.074 41.851 42.059 -0.223 0.000 0.942 247 L HN 0.118 nan 8.230 nan 0.000 0.452 248 G N -1.052 107.376 108.800 -0.620 0.000 2.939 248 G HA2 0.463 4.383 3.960 -0.066 0.000 0.216 248 G HA3 0.463 4.383 3.960 -0.066 0.000 0.216 248 G C 0.705 175.357 174.900 -0.414 0.000 1.125 248 G CA 0.501 45.121 45.100 -0.798 0.000 0.766 248 G HN 0.488 nan 8.290 nan 0.000 0.541 249 G N -0.160 108.523 108.800 -0.194 0.000 2.610 249 G HA2 -0.011 3.909 3.960 -0.066 0.000 0.304 249 G HA3 -0.011 3.909 3.960 -0.066 0.000 0.304 249 G C -3.045 172.084 174.900 0.381 0.000 1.309 249 G CA -0.644 44.513 45.100 0.096 0.000 0.906 249 G HN 0.208 nan 8.290 nan 0.000 0.521 250 P HA 0.315 nan 4.420 nan 0.000 0.268 250 P C -0.617 176.959 177.300 0.460 0.000 1.205 250 P CA 0.003 63.308 63.100 0.341 0.000 0.771 250 P CB 0.278 32.078 31.700 0.167 0.000 0.858 251 Y N 3.658 124.144 120.300 0.309 0.000 2.480 251 Y HA 0.202 4.702 4.550 -0.082 0.000 0.341 251 Y C 1.170 177.059 175.900 -0.018 0.000 1.031 251 Y CA -0.026 58.125 58.100 0.086 0.000 1.295 251 Y CB 0.416 38.977 38.460 0.169 0.000 1.162 251 Y HN 0.191 nan 8.280 nan 0.000 0.523 252 V N 2.934 122.481 119.914 -0.611 0.000 3.621 252 V HA 0.074 4.154 4.120 -0.066 0.000 0.285 252 V C 0.410 176.036 176.094 -0.780 0.000 1.346 252 V CA 0.081 62.010 62.300 -0.619 0.000 1.104 252 V CB -0.736 30.711 31.823 -0.626 0.000 0.913 252 V HN 0.831 nan 8.190 nan 0.000 0.432 253 W N 1.221 122.057 121.300 -0.774 0.000 3.278 253 W HA 0.676 5.344 4.660 0.013 0.000 0.308 253 W C 1.861 178.306 176.519 -0.123 0.000 1.253 253 W CA 0.548 57.609 57.345 -0.473 0.000 1.759 253 W CB 0.086 29.204 29.460 -0.570 0.000 1.093 253 W HN 0.483 nan 8.180 nan 0.000 0.648 254 G N 0.677 109.571 108.800 0.157 0.000 4.766 254 G HA2 -0.400 3.520 3.960 -0.066 0.000 0.314 254 G HA3 -0.400 3.520 3.960 -0.066 0.000 0.314 254 G C 0.315 175.459 174.900 0.407 0.000 1.427 254 G CA 0.564 45.815 45.100 0.251 0.000 1.024 254 G HN 0.199 nan 8.290 nan 0.000 0.754 255 Q N 0.216 120.241 119.800 0.375 0.000 2.259 255 Q HA 0.671 4.971 4.340 -0.066 0.000 0.249 255 Q C -1.153 175.130 176.000 0.471 0.000 0.914 255 Q CA -0.556 55.455 55.803 0.347 0.000 0.904 255 Q CB 0.901 29.784 28.738 0.243 0.000 1.213 255 Q HN 0.595 nan 8.270 nan 0.000 0.428 256 Y N 3.188 123.610 120.300 0.203 0.000 2.805 256 Y HA 0.357 4.856 4.550 -0.086 0.000 0.339 256 Y C -1.260 174.713 175.900 0.123 0.000 1.012 256 Y CA -0.837 57.340 58.100 0.128 0.000 1.262 256 Y CB 0.531 38.934 38.460 -0.096 0.000 1.100 256 Y HN 0.625 nan 8.280 nan 0.000 0.559 257 D N 3.646 123.928 120.400 -0.195 0.000 2.277 257 D HA 0.494 5.094 4.640 -0.066 0.000 0.250 257 D C -0.803 175.364 176.300 -0.222 0.000 1.032 257 D CA -0.111 53.861 54.000 -0.046 0.000 0.947 257 D CB 1.841 42.770 40.800 0.215 0.000 1.159 257 D HN 0.476 nan 8.370 nan 0.000 0.460 258 L N 1.238 122.455 121.223 -0.011 0.000 2.346 258 L HA 0.491 4.791 4.340 -0.066 0.000 0.276 258 L C -1.024 175.883 176.870 0.061 0.000 1.006 258 L CA -1.060 53.740 54.840 -0.066 0.000 0.817 258 L CB 1.731 43.733 42.059 -0.095 0.000 1.272 258 L HN 0.094 nan 8.230 nan 0.000 0.421 259 L N 4.019 125.207 121.223 -0.058 0.000 2.349 259 L HA 0.570 4.870 4.340 -0.066 0.000 0.278 259 L C -0.867 175.883 176.870 -0.200 0.000 0.996 259 L CA -0.333 54.435 54.840 -0.121 0.000 0.825 259 L CB 1.908 43.716 42.059 -0.419 0.000 1.243 259 L HN 0.250 nan 8.230 nan 0.000 0.412 260 V N 6.484 126.353 119.914 -0.076 0.000 2.364 260 V HA 0.374 4.454 4.120 -0.066 0.000 0.272 260 V C 0.409 176.417 176.094 -0.143 0.000 1.036 260 V CA -0.395 61.865 62.300 -0.067 0.000 0.880 260 V CB 0.912 32.803 31.823 0.114 0.000 0.991 260 V HN 0.662 nan 8.190 nan 0.000 0.460 261 L N 7.120 128.168 121.223 -0.291 0.000 2.488 261 L HA 0.534 4.834 4.340 -0.066 0.000 0.249 261 L C -2.072 174.653 176.870 -0.242 0.000 1.151 261 L CA -1.589 53.041 54.840 -0.349 0.000 0.806 261 L CB 0.361 42.008 42.059 -0.686 0.000 1.261 261 L HN 0.415 nan 8.230 nan 0.000 0.484 262 P HA 0.176 nan 4.420 nan 0.000 0.274 262 P C -2.268 174.992 177.300 -0.068 0.000 1.256 262 P CA -1.138 61.833 63.100 -0.214 0.000 0.795 262 P CB 0.040 31.546 31.700 -0.322 0.000 1.038 263 P HA -0.102 nan 4.420 nan 0.000 0.223 263 P C 1.168 178.508 177.300 0.066 0.000 1.151 263 P CA 1.228 64.351 63.100 0.038 0.000 0.787 263 P CB -0.310 31.415 31.700 0.042 0.000 0.788 264 S N -1.611 114.152 115.700 0.104 0.000 2.555 264 S HA -0.073 4.357 4.470 -0.066 0.000 0.230 264 S C 0.623 175.303 174.600 0.133 0.000 0.978 264 S CA -0.335 57.955 58.200 0.150 0.000 0.934 264 S CB -1.450 61.896 63.200 0.244 0.000 0.766 264 S HN -0.031 nan 8.310 nan 0.000 0.533 265 F N 5.002 124.870 119.950 -0.135 0.000 2.580 265 F HA 0.163 4.609 4.527 -0.135 0.000 0.398 265 F C -1.441 174.200 175.800 -0.264 0.000 1.023 265 F CA -2.121 55.678 58.000 -0.335 0.000 1.188 265 F CB 0.651 39.389 39.000 -0.437 0.000 1.005 265 F HN 0.069 nan 8.300 nan 0.000 0.546 266 P HA -0.082 nan 4.420 nan 0.000 0.233 266 P C -0.853 175.712 177.300 -1.225 0.000 1.167 266 P CA 1.357 63.824 63.100 -1.056 0.000 0.770 266 P CB 0.105 31.008 31.700 -1.329 0.000 0.837 267 Y N -2.052 117.758 120.300 -0.816 0.000 2.665 267 Y HA 0.555 5.078 4.550 -0.046 0.000 0.336 267 Y C 2.108 177.925 175.900 -0.139 0.000 1.085 267 Y CA -0.628 57.209 58.100 -0.439 0.000 1.096 267 Y CB 0.077 38.300 38.460 -0.395 0.000 1.301 267 Y HN -0.339 nan 8.280 nan 0.000 0.493 268 G N -0.140 108.714 108.800 0.090 0.000 2.440 268 G HA2 0.293 4.213 3.960 -0.066 0.000 0.218 268 G HA3 0.293 4.213 3.960 -0.066 0.000 0.218 268 G C 0.357 175.406 174.900 0.248 0.000 1.154 268 G CA 1.005 46.158 45.100 0.088 0.000 0.767 268 G HN 1.001 nan 8.290 nan 0.000 0.552 269 G N -1.817 107.185 108.800 0.336 0.000 2.579 269 G HA2 0.513 4.433 3.960 -0.066 0.000 0.292 269 G HA3 0.513 4.433 3.960 -0.066 0.000 0.292 269 G C -1.779 173.331 174.900 0.351 0.000 1.484 269 G CA -0.519 44.793 45.100 0.353 0.000 0.813 269 G HN 0.424 nan 8.290 nan 0.000 0.515 270 M N 1.588 121.360 119.600 0.286 0.000 2.224 270 M HA 0.387 4.827 4.480 -0.066 0.000 0.281 270 M C 0.279 176.584 176.300 0.007 0.000 1.025 270 M CA -0.885 54.497 55.300 0.138 0.000 0.954 270 M CB 1.807 34.495 32.600 0.148 0.000 1.639 270 M HN 0.557 nan 8.290 nan 0.000 0.461 271 E N 2.553 122.750 120.200 -0.004 0.000 2.651 271 E HA 0.007 4.317 4.350 -0.066 0.000 0.236 271 E C -1.077 175.416 176.600 -0.178 0.000 1.422 271 E CA 0.094 56.481 56.400 -0.021 0.000 1.534 271 E CB -1.147 28.543 29.700 -0.016 0.000 1.381 271 E HN 0.821 nan 8.360 nan 0.000 0.435 272 N N 2.981 121.517 118.700 -0.273 0.000 2.412 272 N HA 0.042 4.742 4.740 -0.066 0.000 0.258 272 N C -2.456 172.861 175.510 -0.321 0.000 1.236 272 N CA -0.998 51.832 53.050 -0.367 0.000 0.882 272 N CB 0.398 38.523 38.487 -0.603 0.000 1.066 272 N HN 0.152 nan 8.380 nan 0.000 0.465 273 P HA -0.056 nan 4.420 nan 0.000 0.264 273 P C 0.113 177.278 177.300 -0.225 0.000 1.193 273 P CA 0.025 62.814 63.100 -0.519 0.000 0.763 273 P CB 0.426 31.797 31.700 -0.550 0.000 0.810 274 C N 1.032 120.255 119.300 -0.128 0.000 5.688 274 C HA -0.200 4.220 4.460 -0.066 0.000 0.291 274 C C 0.408 175.369 174.990 -0.047 0.000 2.111 274 C CA 0.655 59.692 59.018 0.033 0.000 1.870 274 C CB -2.280 25.504 27.740 0.073 0.000 2.828 274 C HN 0.643 nan 8.230 nan 0.000 0.449 275 L N 1.177 122.328 121.223 -0.120 0.000 2.549 275 L HA 0.463 4.764 4.340 -0.066 0.000 0.260 275 L C 0.018 176.856 176.870 -0.054 0.000 1.109 275 L CA 0.399 55.184 54.840 -0.093 0.000 0.900 275 L CB 0.822 42.876 42.059 -0.008 0.000 1.119 275 L HN 0.176 nan 8.230 nan 0.000 0.471 276 T N 3.949 118.386 114.554 -0.196 0.000 2.916 276 T HA 0.320 4.630 4.350 -0.066 0.000 0.303 276 T C -0.303 174.487 174.700 0.151 0.000 1.025 276 T CA 0.634 62.701 62.100 -0.056 0.000 1.142 276 T CB -0.018 68.810 68.868 -0.067 0.000 0.947 276 T HN 0.159 nan 8.240 nan 0.000 0.544 277 F N 3.539 123.363 119.950 -0.210 0.000 2.410 277 F HA 0.514 5.074 4.527 0.056 0.000 0.349 277 F C 0.483 176.069 175.800 -0.356 0.000 1.117 277 F CA -1.587 56.184 58.000 -0.382 0.000 1.104 277 F CB 0.799 39.477 39.000 -0.535 0.000 1.122 277 F HN 0.269 nan 8.300 nan 0.000 0.483 278 V N -0.222 119.546 119.914 -0.244 0.000 2.960 278 V HA 0.673 4.753 4.120 -0.066 0.000 0.315 278 V C -0.073 175.938 176.094 -0.137 0.000 1.087 278 V CA -0.866 61.359 62.300 -0.124 0.000 0.982 278 V CB 1.416 33.154 31.823 -0.142 0.000 1.039 278 V HN 0.695 nan 8.190 nan 0.000 0.437 279 T N 2.733 117.345 114.554 0.098 0.000 2.918 279 T HA 0.375 4.685 4.350 -0.066 0.000 0.302 279 T C -1.201 173.567 174.700 0.113 0.000 1.045 279 T CA -0.847 61.334 62.100 0.136 0.000 1.114 279 T CB 1.195 70.163 68.868 0.167 0.000 0.965 279 T HN 0.841 nan 8.240 nan 0.000 0.540 280 P HA 0.006 nan 4.420 nan 0.000 0.233 280 P C 1.310 178.690 177.300 0.133 0.000 1.167 280 P CA 0.729 63.897 63.100 0.114 0.000 0.770 280 P CB -0.386 31.351 31.700 0.061 0.000 0.837 281 T N -2.841 111.802 114.554 0.148 0.000 3.139 281 T HA -0.038 4.272 4.350 -0.066 0.000 0.267 281 T C 1.685 176.502 174.700 0.196 0.000 1.164 281 T CA 0.522 62.732 62.100 0.183 0.000 1.075 281 T CB -1.150 67.893 68.868 0.293 0.000 0.904 281 T HN 0.077 nan 8.240 nan 0.000 0.540 282 L N -0.204 121.148 121.223 0.215 0.000 2.395 282 L HA 0.281 4.581 4.340 -0.066 0.000 0.218 282 L C 1.162 178.143 176.870 0.186 0.000 1.130 282 L CA 0.387 55.382 54.840 0.259 0.000 0.826 282 L CB -0.312 42.000 42.059 0.422 0.000 0.941 282 L HN 0.320 nan 8.230 nan 0.000 0.451 283 L N 0.842 122.138 121.223 0.122 0.000 2.391 283 L HA 0.134 4.434 4.340 -0.066 0.000 0.249 283 L C 1.491 178.369 176.870 0.013 0.000 1.308 283 L CA -0.401 54.447 54.840 0.013 0.000 1.209 283 L CB 0.238 42.305 42.059 0.013 0.000 1.401 283 L HN 0.087 nan 8.230 nan 0.000 0.416 284 A N 0.861 123.692 122.820 0.019 0.000 2.123 284 A HA 0.318 4.599 4.320 -0.066 0.000 0.214 284 A C 1.806 179.392 177.584 0.002 0.000 1.152 284 A CA 0.859 52.905 52.037 0.014 0.000 0.728 284 A CB 0.013 19.024 19.000 0.018 0.000 0.814 284 A HN 0.771 nan 8.150 nan 0.000 0.464 285 G N -0.078 108.726 108.800 0.008 0.000 2.213 285 G HA2 -0.247 3.674 3.960 -0.066 0.000 0.226 285 G HA3 -0.247 3.674 3.960 -0.066 0.000 0.226 285 G C 0.255 175.202 174.900 0.079 0.000 0.992 285 G CA 0.857 45.960 45.100 0.004 0.000 0.632 285 G HN 0.904 nan 8.290 nan 0.000 0.511 286 D N -0.440 120.020 120.400 0.100 0.000 2.562 286 D HA 0.228 4.828 4.640 -0.066 0.000 0.246 286 D C 0.971 177.329 176.300 0.097 0.000 1.347 286 D CA 0.422 54.501 54.000 0.132 0.000 0.800 286 D CB -0.419 40.409 40.800 0.047 0.000 1.111 286 D HN 0.471 nan 8.370 nan 0.000 0.508 287 K N -0.199 120.244 120.400 0.073 0.000 3.472 287 K HA -0.216 4.064 4.320 -0.066 0.000 0.315 287 K C 1.097 177.749 176.600 0.087 0.000 1.320 287 K CA 1.089 57.408 56.287 0.053 0.000 0.962 287 K CB -2.251 30.259 32.500 0.017 0.000 1.251 287 K HN 0.328 nan 8.250 nan 0.000 0.443 288 S N 0.253 115.983 115.700 0.050 0.000 2.515 288 S HA -0.005 4.425 4.470 -0.066 0.000 0.231 288 S C 1.237 175.900 174.600 0.106 0.000 0.987 288 S CA 0.491 58.705 58.200 0.023 0.000 0.936 288 S CB -0.031 63.074 63.200 -0.160 0.000 0.766 288 S HN 0.400 nan 8.310 nan 0.000 0.528 289 L N 2.231 123.540 121.223 0.143 0.000 2.872 289 L HA 0.290 4.590 4.340 -0.066 0.000 0.245 289 L C 1.932 178.955 176.870 0.255 0.000 1.211 289 L CA 0.250 55.205 54.840 0.192 0.000 1.013 289 L CB -0.143 42.020 42.059 0.173 0.000 1.326 289 L HN 0.420 nan 8.230 nan 0.000 0.525 290 S N -0.441 115.426 115.700 0.279 0.000 2.507 290 S HA -0.158 4.272 4.470 -0.066 0.000 0.235 290 S C 1.705 176.482 174.600 0.295 0.000 0.988 290 S CA 0.875 59.264 58.200 0.316 0.000 0.944 290 S CB -0.472 62.919 63.200 0.318 0.000 0.762 290 S HN 0.677 nan 8.310 nan 0.000 0.526 291 N N 1.982 120.853 118.700 0.285 0.000 2.289 291 N HA -0.111 4.589 4.740 -0.066 0.000 0.184 291 N C 1.540 177.187 175.510 0.228 0.000 1.016 291 N CA 1.414 54.617 53.050 0.254 0.000 0.872 291 N CB -0.722 37.896 38.487 0.217 0.000 0.973 291 N HN 0.422 nan 8.380 nan 0.000 0.433 292 V N 1.817 121.853 119.914 0.204 0.000 2.343 292 V HA -0.183 3.897 4.120 -0.066 0.000 0.247 292 V C 2.638 178.871 176.094 0.232 0.000 1.051 292 V CA 1.015 63.426 62.300 0.185 0.000 1.036 292 V CB -0.426 31.480 31.823 0.139 0.000 0.654 292 V HN 0.208 nan 8.190 nan 0.000 0.451 293 I N 0.925 121.616 120.570 0.202 0.000 2.163 293 I HA -0.241 3.889 4.170 -0.066 0.000 0.243 293 I C 2.716 178.959 176.117 0.211 0.000 1.085 293 I CA 2.086 63.497 61.300 0.184 0.000 1.347 293 I CB -1.775 36.326 38.000 0.169 0.000 1.044 293 I HN 0.321 nan 8.210 nan 0.000 0.408 294 A N -0.139 122.808 122.820 0.212 0.000 1.933 294 A HA -0.269 4.011 4.320 -0.066 0.000 0.218 294 A C 2.293 179.992 177.584 0.193 0.000 1.175 294 A CA 1.949 54.092 52.037 0.177 0.000 0.628 294 A CB -1.063 18.046 19.000 0.183 0.000 0.814 294 A HN 0.560 nan 8.150 nan 0.000 0.444 295 H N -0.089 119.068 119.070 0.145 0.000 2.270 295 H HA -0.118 4.379 4.556 -0.099 0.000 0.299 295 H C 2.034 177.474 175.328 0.187 0.000 1.077 295 H CA 2.026 58.159 56.048 0.142 0.000 1.294 295 H CB 0.082 29.945 29.762 0.167 0.000 1.371 295 H HN 0.378 nan 8.280 nan 0.000 0.491 296 E N 0.537 120.974 120.200 0.394 0.000 2.085 296 E HA -0.160 4.150 4.350 -0.066 0.000 0.194 296 E C 2.591 179.383 176.600 0.320 0.000 0.994 296 E CA 1.198 57.839 56.400 0.401 0.000 0.801 296 E CB -0.350 29.573 29.700 0.372 0.000 0.743 296 E HN 0.619 nan 8.360 nan 0.000 0.453 297 I N 1.254 121.951 120.570 0.212 0.000 2.163 297 I HA -0.285 3.845 4.170 -0.066 0.000 0.243 297 I C 2.309 178.591 176.117 0.275 0.000 1.085 297 I CA 1.160 62.494 61.300 0.057 0.000 1.347 297 I CB -0.301 37.638 38.000 -0.102 0.000 1.044 297 I HN -0.028 nan 8.210 nan 0.000 0.408 298 S N -0.652 115.176 115.700 0.215 0.000 2.400 298 S HA -0.206 4.225 4.470 -0.066 0.000 0.232 298 S C 1.889 176.670 174.600 0.302 0.000 1.025 298 S CA 0.990 59.340 58.200 0.249 0.000 0.993 298 S CB -0.491 62.730 63.200 0.035 0.000 0.808 298 S HN 0.437 nan 8.310 nan 0.000 0.478 299 H N 1.403 120.577 119.070 0.173 0.000 2.518 299 H HA 0.090 4.644 4.556 -0.003 0.000 0.289 299 H C 2.063 177.433 175.328 0.070 0.000 1.051 299 H CA 0.874 56.989 56.048 0.112 0.000 1.280 299 H CB -0.289 29.511 29.762 0.064 0.000 1.380 299 H HN 0.312 nan 8.280 nan 0.000 0.566 300 S N -0.498 115.303 115.700 0.168 0.000 2.500 300 S HA -0.126 4.304 4.470 -0.066 0.000 0.239 300 S C 1.528 175.989 174.600 -0.232 0.000 0.989 300 S CA 0.558 58.642 58.200 -0.194 0.000 0.951 300 S CB 0.031 63.040 63.200 -0.319 0.000 0.759 300 S HN 0.548 nan 8.310 nan 0.000 0.523 301 W N 1.096 122.500 121.300 0.172 0.000 3.330 301 W HA 0.147 4.768 4.660 -0.065 0.000 0.243 301 W C 0.468 177.025 176.519 0.065 0.000 0.954 301 W CA 0.201 57.609 57.345 0.105 0.000 2.074 301 W CB -0.954 28.552 29.460 0.077 0.000 1.096 301 W HN 0.131 nan 8.180 nan 0.000 0.643 302 T N -0.354 114.410 114.554 0.350 0.000 2.794 302 T HA 0.578 4.888 4.350 -0.066 0.000 0.304 302 T C 0.690 175.565 174.700 0.292 0.000 0.973 302 T CA 0.544 62.788 62.100 0.240 0.000 0.972 302 T CB 1.033 70.047 68.868 0.244 0.000 0.952 302 T HN 0.412 nan 8.240 nan 0.000 0.509 303 G N 4.425 113.359 108.800 0.223 0.000 2.905 303 G HA2 -0.268 3.652 3.960 -0.066 0.000 0.199 303 G HA3 -0.268 3.652 3.960 -0.066 0.000 0.199 303 G C 0.991 175.985 174.900 0.158 0.000 1.370 303 G CA -0.073 45.184 45.100 0.262 0.000 0.966 303 G HN 0.549 nan 8.290 nan 0.000 0.522 304 N N 0.674 119.440 118.700 0.110 0.000 2.395 304 N HA 0.278 4.978 4.740 -0.066 0.000 0.175 304 N C 2.167 177.785 175.510 0.181 0.000 1.029 304 N CA 1.046 54.119 53.050 0.037 0.000 0.897 304 N CB 0.045 38.385 38.487 -0.245 0.000 0.991 304 N HN 0.508 nan 8.380 nan 0.000 0.441 305 L N -0.100 121.181 121.223 0.097 0.000 2.265 305 L HA 0.195 4.496 4.340 -0.066 0.000 0.195 305 L C 0.081 176.868 176.870 -0.139 0.000 1.083 305 L CA 0.375 55.157 54.840 -0.097 0.000 0.798 305 L CB 0.179 42.101 42.059 -0.229 0.000 0.989 305 L HN -0.163 nan 8.230 nan 0.000 0.472 306 V N 0.710 120.560 119.914 -0.108 0.000 2.364 306 V HA 0.266 4.346 4.120 -0.066 0.000 0.272 306 V C -0.214 175.841 176.094 -0.065 0.000 1.036 306 V CA -0.242 61.968 62.300 -0.149 0.000 0.880 306 V CB 0.939 32.584 31.823 -0.296 0.000 0.991 306 V HN 0.211 nan 8.190 nan 0.000 0.460 307 T N 4.460 118.977 114.554 -0.060 0.000 2.887 307 T HA 0.355 4.665 4.350 -0.066 0.000 0.288 307 T C 0.014 174.669 174.700 -0.076 0.000 1.021 307 T CA -0.761 61.333 62.100 -0.009 0.000 1.000 307 T CB 1.123 70.007 68.868 0.027 0.000 1.034 307 T HN 0.846 nan 8.240 nan 0.000 0.467 308 N N 1.975 120.631 118.700 -0.074 0.000 2.483 308 N HA 0.069 4.769 4.740 -0.066 0.000 0.264 308 N C 0.847 176.234 175.510 -0.205 0.000 1.197 308 N CA -0.475 52.498 53.050 -0.129 0.000 0.927 308 N CB 1.422 39.872 38.487 -0.063 0.000 1.065 308 N HN 0.581 nan 8.380 nan 0.000 0.461 309 K N 1.208 121.508 120.400 -0.166 0.000 2.057 309 K HA -0.104 4.176 4.320 -0.066 0.000 0.206 309 K C 0.703 177.195 176.600 -0.181 0.000 1.050 309 K CA 1.368 57.561 56.287 -0.157 0.000 0.935 309 K CB 0.064 32.481 32.500 -0.138 0.000 0.715 309 K HN 0.855 nan 8.250 nan 0.000 0.439 310 T N -5.006 109.485 114.554 -0.106 0.000 2.864 310 T HA 0.216 4.526 4.350 -0.066 0.000 0.289 310 T C 0.129 174.718 174.700 -0.186 0.000 1.082 310 T CA -0.922 61.070 62.100 -0.181 0.000 1.009 310 T CB 0.337 69.233 68.868 0.047 0.000 1.234 310 T HN 0.310 nan 8.240 nan 0.000 0.526 311 W N 0.054 121.384 121.300 0.051 0.000 2.678 311 W HA 0.134 4.741 4.660 -0.089 0.000 0.256 311 W C 1.362 177.893 176.519 0.020 0.000 1.280 311 W CA -0.133 57.210 57.345 -0.002 0.000 1.345 311 W CB -0.060 29.331 29.460 -0.114 0.000 1.118 311 W HN 0.697 nan 8.180 nan 0.000 0.629 312 D N -1.021 119.470 120.400 0.151 0.000 2.265 312 D HA -0.160 4.440 4.640 -0.066 0.000 0.208 312 D C 1.391 177.599 176.300 -0.154 0.000 0.977 312 D CA 1.310 55.282 54.000 -0.046 0.000 0.871 312 D CB -0.330 40.337 40.800 -0.221 0.000 0.925 312 D HN 0.339 nan 8.370 nan 0.000 0.485 313 H N -1.222 117.982 119.070 0.223 0.000 2.505 313 H HA 0.064 4.579 4.556 -0.069 0.000 0.286 313 H C 1.225 176.620 175.328 0.111 0.000 1.072 313 H CA -0.380 55.767 56.048 0.164 0.000 1.141 313 H CB -0.127 29.656 29.762 0.035 0.000 1.550 313 H HN 0.079 nan 8.280 nan 0.000 0.547 314 F N 2.520 122.566 119.950 0.160 0.000 2.147 314 F HA -0.287 4.184 4.527 -0.094 0.000 0.301 314 F C 2.434 178.287 175.800 0.088 0.000 1.084 314 F CA 1.462 59.562 58.000 0.167 0.000 1.268 314 F CB -0.367 38.778 39.000 0.242 0.000 1.009 314 F HN 0.378 nan 8.300 nan 0.000 0.486 315 W N 1.060 122.319 121.300 -0.069 0.000 2.331 315 W HA -0.249 4.373 4.660 -0.063 0.000 0.291 315 W C 1.653 178.080 176.519 -0.153 0.000 1.214 315 W CA 1.299 58.524 57.345 -0.201 0.000 1.228 315 W CB -1.483 27.913 29.460 -0.108 0.000 1.135 315 W HN 0.156 nan 8.180 nan 0.000 0.537 316 L N 1.461 122.053 121.223 -1.051 0.000 2.013 316 L HA -0.322 3.978 4.340 -0.066 0.000 0.212 316 L C 2.597 179.323 176.870 -0.241 0.000 1.073 316 L CA 2.179 56.496 54.840 -0.872 0.000 0.753 316 L CB -1.261 40.437 42.059 -0.603 0.000 0.890 316 L HN 0.011 nan 8.230 nan 0.000 0.432 317 N N -0.388 118.200 118.700 -0.187 0.000 2.039 317 N HA -0.169 4.531 4.740 -0.066 0.000 0.193 317 N C 1.841 177.318 175.510 -0.055 0.000 1.044 317 N CA 1.266 54.305 53.050 -0.019 0.000 0.847 317 N CB -0.186 38.330 38.487 0.047 0.000 1.030 317 N HN 0.257 nan 8.380 nan 0.000 0.422 318 E N -0.224 119.778 120.200 -0.329 0.000 2.076 318 E HA 0.048 4.358 4.350 -0.066 0.000 0.190 318 E C 2.074 178.635 176.600 -0.066 0.000 0.979 318 E CA 0.837 57.028 56.400 -0.350 0.000 0.807 318 E CB -0.822 28.245 29.700 -1.055 0.000 0.761 318 E HN 0.402 nan 8.360 nan 0.000 0.454 319 G N 0.859 109.657 108.800 -0.004 0.000 2.433 319 G HA2 -0.280 3.640 3.960 -0.066 0.000 0.216 319 G HA3 -0.280 3.640 3.960 -0.066 0.000 0.216 319 G C 1.258 176.239 174.900 0.135 0.000 1.186 319 G CA 1.150 46.339 45.100 0.148 0.000 0.779 319 G HN 0.343 nan 8.290 nan 0.000 0.543 320 H N -0.158 118.991 119.070 0.132 0.000 2.421 320 H HA 0.006 4.520 4.556 -0.071 0.000 0.298 320 H C 2.851 178.305 175.328 0.210 0.000 1.087 320 H CA 1.707 57.874 56.048 0.198 0.000 1.330 320 H CB -0.032 29.804 29.762 0.123 0.000 1.388 320 H HN 0.307 nan 8.280 nan 0.000 0.526 321 T N -0.420 114.208 114.554 0.122 0.000 2.851 321 T HA -0.083 4.227 4.350 -0.066 0.000 0.262 321 T C 2.293 176.986 174.700 -0.012 0.000 1.043 321 T CA 1.031 63.045 62.100 -0.144 0.000 1.140 321 T CB -0.285 68.109 68.868 -0.790 0.000 0.872 321 T HN 0.091 nan 8.240 nan 0.000 0.446 322 V N 0.696 120.725 119.914 0.192 0.000 2.343 322 V HA -0.178 3.902 4.120 -0.066 0.000 0.247 322 V C 2.024 178.313 176.094 0.325 0.000 1.051 322 V CA 1.580 64.055 62.300 0.292 0.000 1.036 322 V CB -0.702 31.315 31.823 0.322 0.000 0.654 322 V HN 0.510 nan 8.190 nan 0.000 0.451 323 Y N 0.174 120.733 120.300 0.431 0.000 2.181 323 Y HA -0.197 4.311 4.550 -0.070 0.000 0.288 323 Y C 2.238 178.391 175.900 0.422 0.000 1.146 323 Y CA 1.666 60.093 58.100 0.546 0.000 1.164 323 Y CB -0.120 38.618 38.460 0.463 0.000 0.982 323 Y HN 0.123 nan 8.280 nan 0.000 0.515 324 L N 0.133 121.585 121.223 0.381 0.000 2.056 324 L HA -0.195 4.105 4.340 -0.066 0.000 0.207 324 L C 2.584 179.539 176.870 0.142 0.000 1.078 324 L CA 1.782 56.765 54.840 0.239 0.000 0.749 324 L CB -0.635 41.532 42.059 0.179 0.000 0.901 324 L HN 0.343 nan 8.230 nan 0.000 0.433 325 E N 0.724 120.996 120.200 0.120 0.000 2.049 325 E HA -0.284 4.027 4.350 -0.066 0.000 0.198 325 E C 2.252 178.893 176.600 0.069 0.000 1.007 325 E CA 1.545 58.011 56.400 0.111 0.000 0.809 325 E CB 0.009 29.805 29.700 0.160 0.000 0.749 325 E HN 0.420 nan 8.360 nan 0.000 0.450 326 R N -0.760 119.729 120.500 -0.019 0.000 2.148 326 R HA -0.072 4.228 4.340 -0.066 0.000 0.227 326 R C 2.461 178.690 176.300 -0.119 0.000 1.103 326 R CA 0.991 57.014 56.100 -0.128 0.000 0.983 326 R CB -0.321 29.793 30.300 -0.310 0.000 0.874 326 R HN 0.390 nan 8.270 nan 0.000 0.451 327 H N 0.697 119.732 119.070 -0.059 0.000 2.395 327 H HA 0.021 4.536 4.556 -0.069 0.000 0.299 327 H C 2.149 177.481 175.328 0.007 0.000 1.070 327 H CA 1.176 57.200 56.048 -0.040 0.000 1.356 327 H CB 0.117 29.831 29.762 -0.081 0.000 1.401 327 H HN 0.156 nan 8.280 nan 0.000 0.524 328 I N -0.385 120.262 120.570 0.129 0.000 2.252 328 I HA -0.259 3.871 4.170 -0.066 0.000 0.245 328 I C 2.527 178.690 176.117 0.076 0.000 1.102 328 I CA 0.707 62.053 61.300 0.076 0.000 1.385 328 I CB -0.151 37.889 38.000 0.067 0.000 1.064 328 I HN 0.199 nan 8.210 nan 0.000 0.414 329 C N 0.777 120.168 119.300 0.151 0.000 2.450 329 C HA 0.011 4.431 4.460 -0.066 0.000 0.279 329 C C 2.960 178.150 174.990 0.332 0.000 1.335 329 C CA 0.797 59.999 59.018 0.306 0.000 1.749 329 C CB -1.496 26.473 27.740 0.382 0.000 1.963 329 C HN 0.649 nan 8.230 nan 0.000 0.501 330 G N 0.324 109.246 108.800 0.203 0.000 2.418 330 G HA2 -0.188 3.732 3.960 -0.066 0.000 0.217 330 G HA3 -0.188 3.732 3.960 -0.066 0.000 0.217 330 G C 1.857 176.836 174.900 0.130 0.000 1.158 330 G CA 0.428 45.642 45.100 0.191 0.000 0.771 330 G HN 0.434 nan 8.290 nan 0.000 0.545 331 R N -0.108 120.437 120.500 0.074 0.000 2.070 331 R HA 0.044 4.344 4.340 -0.066 0.000 0.233 331 R C 2.710 178.948 176.300 -0.103 0.000 1.137 331 R CA 0.924 57.028 56.100 0.006 0.000 0.945 331 R CB -0.818 29.477 30.300 -0.009 0.000 0.845 331 R HN 0.386 nan 8.270 nan 0.000 0.430 332 L N -0.763 120.303 121.223 -0.262 0.000 2.027 332 L HA -0.133 4.168 4.340 -0.066 0.000 0.206 332 L C 1.373 177.847 176.870 -0.661 0.000 1.074 332 L CA 1.418 55.865 54.840 -0.654 0.000 0.745 332 L CB -0.179 41.112 42.059 -1.281 0.000 0.898 332 L HN 0.112 nan 8.230 nan 0.000 0.433 333 F N -0.938 119.031 119.950 0.032 0.000 2.729 333 F HA 0.490 4.975 4.527 -0.070 0.000 0.315 333 F C 0.883 176.691 175.800 0.014 0.000 1.102 333 F CA -0.127 57.837 58.000 -0.060 0.000 1.204 333 F CB 0.295 39.113 39.000 -0.304 0.000 1.052 333 F HN 0.012 nan 8.300 nan 0.000 0.551 334 G N 1.089 110.005 108.800 0.194 0.000 2.674 334 G HA2 -0.152 3.768 3.960 -0.066 0.000 0.686 334 G HA3 -0.152 3.768 3.960 -0.066 0.000 0.686 334 G C 0.117 175.154 174.900 0.229 0.000 1.195 334 G CA -0.351 44.853 45.100 0.174 0.000 0.776 334 G HN 0.126 nan 8.290 nan 0.000 0.654 335 E N 0.458 120.765 120.200 0.178 0.000 2.204 335 E HA -0.037 4.273 4.350 -0.066 0.000 0.195 335 E C 2.226 178.962 176.600 0.227 0.000 0.990 335 E CA 2.088 58.609 56.400 0.202 0.000 0.821 335 E CB -0.075 29.717 29.700 0.154 0.000 0.750 335 E HN 0.615 nan 8.360 nan 0.000 0.477 336 K N -0.817 119.690 120.400 0.178 0.000 2.097 336 K HA -0.111 4.169 4.320 -0.066 0.000 0.205 336 K C 1.858 178.640 176.600 0.303 0.000 1.050 336 K CA 1.198 57.594 56.287 0.183 0.000 0.938 336 K CB -0.280 32.300 32.500 0.134 0.000 0.718 336 K HN 0.162 nan 8.250 nan 0.000 0.442 337 F N 2.053 122.084 119.950 0.135 0.000 2.146 337 F HA -0.101 4.385 4.527 -0.068 0.000 0.298 337 F C 2.418 178.333 175.800 0.193 0.000 1.096 337 F CA 1.204 59.281 58.000 0.129 0.000 1.275 337 F CB -0.148 38.889 39.000 0.063 0.000 1.008 337 F HN -0.137 nan 8.300 nan 0.000 0.480 338 R N -0.557 120.031 120.500 0.145 0.000 2.094 338 R HA -0.221 4.079 4.340 -0.066 0.000 0.239 338 R C 2.436 178.725 176.300 -0.018 0.000 1.137 338 R CA 2.192 58.289 56.100 -0.004 0.000 0.943 338 R CB -0.763 29.559 30.300 0.037 0.000 0.850 338 R HN 0.434 nan 8.270 nan 0.000 0.433 339 H N -1.151 117.953 119.070 0.056 0.000 2.352 339 H HA -0.188 4.329 4.556 -0.066 0.000 0.299 339 H C 2.030 177.422 175.328 0.107 0.000 1.097 339 H CA 1.742 57.878 56.048 0.146 0.000 1.311 339 H CB -0.281 29.632 29.762 0.251 0.000 1.377 339 H HN 0.282 nan 8.280 nan 0.000 0.504 340 F N 2.250 122.228 119.950 0.046 0.000 2.069 340 F HA -0.232 4.254 4.527 -0.068 0.000 0.298 340 F C 1.952 177.640 175.800 -0.186 0.000 1.113 340 F CA 1.835 59.803 58.000 -0.053 0.000 1.214 340 F CB -0.415 38.558 39.000 -0.044 0.000 0.978 340 F HN 0.040 nan 8.300 nan 0.000 0.474 341 N N 0.267 118.802 118.700 -0.275 0.000 2.120 341 N HA -0.159 4.541 4.740 -0.066 0.000 0.188 341 N C 2.033 177.300 175.510 -0.405 0.000 1.024 341 N CA 1.168 53.976 53.050 -0.404 0.000 0.852 341 N CB -0.435 37.790 38.487 -0.438 0.000 1.003 341 N HN 0.417 nan 8.380 nan 0.000 0.424 342 A N 1.000 123.601 122.820 -0.366 0.000 1.883 342 A HA -0.143 4.137 4.320 -0.066 0.000 0.217 342 A C 2.111 179.607 177.584 -0.147 0.000 1.186 342 A CA 1.163 53.025 52.037 -0.291 0.000 0.624 342 A CB -0.773 18.052 19.000 -0.290 0.000 0.822 342 A HN 0.251 nan 8.150 nan 0.000 0.444 343 L N 0.105 121.138 121.223 -0.316 0.000 2.056 343 L HA 0.016 4.316 4.340 -0.066 0.000 0.207 343 L C 2.447 179.104 176.870 -0.355 0.000 1.078 343 L CA 2.233 56.715 54.840 -0.597 0.000 0.749 343 L CB -1.263 40.491 42.059 -0.509 0.000 0.901 343 L HN 0.321 nan 8.230 nan 0.000 0.433 344 G N -0.951 107.601 108.800 -0.413 0.000 2.469 344 G HA2 -0.279 3.641 3.960 -0.066 0.000 0.219 344 G HA3 -0.279 3.641 3.960 -0.066 0.000 0.219 344 G C 1.526 176.312 174.900 -0.191 0.000 1.150 344 G CA 0.721 45.616 45.100 -0.342 0.000 0.763 344 G HN 0.595 nan 8.290 nan 0.000 0.561 345 G N -0.164 108.529 108.800 -0.178 0.000 2.418 345 G HA2 -0.246 3.674 3.960 -0.066 0.000 0.217 345 G HA3 -0.246 3.674 3.960 -0.066 0.000 0.217 345 G C 1.605 176.515 174.900 0.017 0.000 1.158 345 G CA 0.890 45.931 45.100 -0.099 0.000 0.771 345 G HN 0.437 nan 8.290 nan 0.000 0.545 346 W N 2.104 123.348 121.300 -0.092 0.000 2.342 346 W HA -0.092 4.528 4.660 -0.067 0.000 0.297 346 W C 2.208 178.681 176.519 -0.076 0.000 1.213 346 W CA 1.637 58.958 57.345 -0.040 0.000 1.251 346 W CB -0.516 28.880 29.460 -0.106 0.000 1.136 346 W HN 0.216 nan 8.180 nan 0.000 0.526 347 G N 0.483 109.307 108.800 0.039 0.000 2.422 347 G HA2 -0.276 3.644 3.960 -0.066 0.000 0.218 347 G HA3 -0.276 3.644 3.960 -0.066 0.000 0.218 347 G C 1.374 176.210 174.900 -0.105 0.000 1.146 347 G CA 0.855 45.933 45.100 -0.037 0.000 0.769 347 G HN 0.221 nan 8.290 nan 0.000 0.547 348 E N -0.030 120.108 120.200 -0.104 0.000 2.150 348 E HA -0.048 4.262 4.350 -0.066 0.000 0.193 348 E C 2.449 178.973 176.600 -0.127 0.000 0.985 348 E CA 0.363 56.703 56.400 -0.099 0.000 0.814 348 E CB -0.265 29.385 29.700 -0.084 0.000 0.752 348 E HN 0.397 nan 8.360 nan 0.000 0.466 349 L N 1.578 122.690 121.223 -0.186 0.000 2.027 349 L HA -0.192 4.108 4.340 -0.066 0.000 0.206 349 L C 2.174 178.872 176.870 -0.287 0.000 1.074 349 L CA 1.749 56.441 54.840 -0.247 0.000 0.745 349 L CB -0.485 41.347 42.059 -0.379 0.000 0.898 349 L HN 0.031 nan 8.230 nan 0.000 0.433 350 Q N -0.569 119.014 119.800 -0.362 0.000 2.061 350 Q HA -0.232 4.068 4.340 -0.066 0.000 0.204 350 Q C 1.950 177.859 176.000 -0.152 0.000 0.984 350 Q CA 1.820 57.469 55.803 -0.255 0.000 0.846 350 Q CB -0.379 28.251 28.738 -0.181 0.000 0.902 350 Q HN 0.565 nan 8.270 nan 0.000 0.421 351 N N 0.226 118.847 118.700 -0.132 0.000 2.069 351 N HA -0.127 4.573 4.740 -0.066 0.000 0.191 351 N C 1.853 177.295 175.510 -0.114 0.000 1.031 351 N CA 1.643 54.629 53.050 -0.108 0.000 0.852 351 N CB -0.458 37.973 38.487 -0.093 0.000 1.018 351 N HN 0.098 nan 8.380 nan 0.000 0.423 352 S N 0.305 115.944 115.700 -0.102 0.000 2.368 352 S HA -0.020 4.410 4.470 -0.066 0.000 0.224 352 S C 2.268 176.875 174.600 0.011 0.000 1.029 352 S CA 0.597 58.748 58.200 -0.081 0.000 0.988 352 S CB -0.291 62.922 63.200 0.023 0.000 0.838 352 S HN 0.084 nan 8.310 nan 0.000 0.462 353 V N 1.879 121.798 119.914 0.008 0.000 2.343 353 V HA -0.177 3.903 4.120 -0.066 0.000 0.247 353 V C 2.415 178.519 176.094 0.016 0.000 1.051 353 V CA 1.674 63.996 62.300 0.037 0.000 1.036 353 V CB -0.483 31.306 31.823 -0.057 0.000 0.654 353 V HN 0.395 nan 8.190 nan 0.000 0.451 354 K N -0.463 119.912 120.400 -0.042 0.000 2.057 354 K HA -0.159 4.121 4.320 -0.066 0.000 0.206 354 K C 2.264 178.826 176.600 -0.063 0.000 1.050 354 K CA 1.830 58.088 56.287 -0.048 0.000 0.935 354 K CB -0.272 32.189 32.500 -0.065 0.000 0.715 354 K HN 0.499 nan 8.250 nan 0.000 0.439 355 T N 0.578 115.056 114.554 -0.126 0.000 2.652 355 T HA -0.143 4.167 4.350 -0.066 0.000 0.267 355 T C 1.521 176.101 174.700 -0.200 0.000 1.039 355 T CA 1.562 63.534 62.100 -0.215 0.000 1.153 355 T CB -0.316 68.325 68.868 -0.378 0.000 0.863 355 T HN 0.104 nan 8.240 nan 0.000 0.428 356 F N 1.329 121.209 119.950 -0.116 0.000 2.259 356 F HA 0.316 4.801 4.527 -0.070 0.000 0.298 356 F C 1.807 177.556 175.800 -0.085 0.000 1.088 356 F CA 0.709 58.582 58.000 -0.212 0.000 1.358 356 F CB -0.667 38.152 39.000 -0.301 0.000 1.040 356 F HN 0.422 nan 8.300 nan 0.000 0.505 357 G N 0.217 109.105 108.800 0.148 0.000 2.674 357 G HA2 -0.133 3.787 3.960 -0.066 0.000 0.686 357 G HA3 -0.133 3.787 3.960 -0.066 0.000 0.686 357 G C 0.377 175.341 174.900 0.106 0.000 1.195 357 G CA -0.201 44.961 45.100 0.103 0.000 0.776 357 G HN 0.388 nan 8.290 nan 0.000 0.654 358 E N -0.986 119.243 120.200 0.048 0.000 2.481 358 E HA 0.037 4.347 4.350 -0.066 0.000 0.195 358 E C 1.612 178.219 176.600 0.012 0.000 1.047 358 E CA 1.279 57.691 56.400 0.020 0.000 0.867 358 E CB 0.049 29.744 29.700 -0.008 0.000 0.858 358 E HN 0.871 nan 8.360 nan 0.000 0.513 359 T N -2.637 111.928 114.554 0.019 0.000 3.085 359 T HA 0.075 4.385 4.350 -0.066 0.000 0.264 359 T C 0.104 174.789 174.700 -0.024 0.000 1.019 359 T CA -0.524 61.570 62.100 -0.009 0.000 0.910 359 T CB -0.472 68.381 68.868 -0.026 0.000 1.059 359 T HN 0.229 nan 8.240 nan 0.000 0.542 360 H N 3.172 122.197 119.070 -0.074 0.000 2.886 360 H HA 0.197 4.713 4.556 -0.066 0.000 0.329 360 H C -1.376 173.839 175.328 -0.189 0.000 1.044 360 H CA -1.266 54.688 56.048 -0.157 0.000 1.456 360 H CB 1.193 30.863 29.762 -0.153 0.000 1.464 360 H HN -0.065 nan 8.280 nan 0.000 0.573 361 P HA -0.186 nan 4.420 nan 0.000 0.221 361 P C 0.650 178.039 177.300 0.148 0.000 1.145 361 P CA 1.049 64.069 63.100 -0.132 0.000 0.795 361 P CB 0.144 31.706 31.700 -0.230 0.000 0.775 362 F N 0.245 120.233 119.950 0.063 0.000 2.802 362 F HA 0.030 4.521 4.527 -0.060 0.000 0.300 362 F C 1.986 177.587 175.800 -0.333 0.000 1.168 362 F CA 0.835 58.661 58.000 -0.289 0.000 1.433 362 F CB -1.865 36.616 39.000 -0.864 0.000 1.115 362 F HN 0.062 nan 8.300 nan 0.000 0.582 363 T N -3.304 111.242 114.554 -0.014 0.000 3.086 363 T HA 0.116 4.427 4.350 -0.066 0.000 0.250 363 T C 0.700 175.398 174.700 -0.003 0.000 1.074 363 T CA -0.264 61.835 62.100 -0.002 0.000 0.988 363 T CB -0.122 68.766 68.868 0.033 0.000 0.988 363 T HN -0.040 nan 8.240 nan 0.000 0.530 364 K N 0.817 121.229 120.400 0.019 0.000 2.326 364 K HA 0.267 4.547 4.320 -0.066 0.000 0.275 364 K C 0.830 177.425 176.600 -0.009 0.000 1.018 364 K CA -0.507 55.787 56.287 0.011 0.000 0.962 364 K CB 1.126 33.663 32.500 0.061 0.000 0.953 364 K HN -0.028 nan 8.250 nan 0.000 0.475 365 L N 3.441 124.613 121.223 -0.084 0.000 2.005 365 L HA -0.069 4.231 4.340 -0.066 0.000 0.207 365 L C 0.336 177.155 176.870 -0.085 0.000 1.072 365 L CA 1.647 56.380 54.840 -0.178 0.000 0.744 365 L CB 0.285 42.086 42.059 -0.431 0.000 0.895 365 L HN 0.322 nan 8.230 nan 0.000 0.433 366 V N 1.740 121.621 119.914 -0.055 0.000 2.383 366 V HA 0.331 4.412 4.120 -0.066 0.000 0.275 366 V C -0.039 176.128 176.094 0.122 0.000 1.036 366 V CA -0.461 61.902 62.300 0.105 0.000 0.889 366 V CB 0.997 32.926 31.823 0.177 0.000 0.985 366 V HN 0.142 nan 8.190 nan 0.000 0.459 367 V N 1.634 121.610 119.914 0.102 0.000 2.850 367 V HA 0.708 4.788 4.120 -0.066 0.000 0.315 367 V C -0.440 175.706 176.094 0.086 0.000 1.064 367 V CA -0.785 61.577 62.300 0.104 0.000 0.979 367 V CB 2.048 33.924 31.823 0.088 0.000 1.039 367 V HN 0.761 nan 8.190 nan 0.000 0.452 368 D N 1.994 122.455 120.400 0.102 0.000 2.427 368 D HA 0.373 4.973 4.640 -0.066 0.000 0.226 368 D C 0.365 176.723 176.300 0.097 0.000 1.076 368 D CA -0.236 53.817 54.000 0.087 0.000 0.849 368 D CB 1.190 42.038 40.800 0.080 0.000 1.052 368 D HN 0.610 nan 8.370 nan 0.000 0.515 369 L N 2.686 123.960 121.223 0.085 0.000 2.612 369 L HA 0.121 4.422 4.340 -0.066 0.000 0.230 369 L C 0.649 177.585 176.870 0.110 0.000 1.140 369 L CA 0.040 54.929 54.840 0.081 0.000 0.896 369 L CB -0.146 41.955 42.059 0.069 0.000 1.065 369 L HN 0.340 nan 8.230 nan 0.000 0.447 370 T N 1.222 115.840 114.554 0.106 0.000 2.778 370 T HA -0.074 4.236 4.350 -0.066 0.000 0.282 370 T C 0.474 175.249 174.700 0.125 0.000 0.983 370 T CA 0.301 62.464 62.100 0.106 0.000 1.193 370 T CB 0.061 68.977 68.868 0.080 0.000 0.938 370 T HN 0.312 nan 8.240 nan 0.000 0.523 371 D N 0.430 120.928 120.400 0.164 0.000 3.079 371 D HA -0.146 4.454 4.640 -0.066 0.000 0.214 371 D C -0.164 176.276 176.300 0.233 0.000 1.145 371 D CA 0.801 54.927 54.000 0.210 0.000 0.958 371 D CB -0.693 40.188 40.800 0.136 0.000 1.117 371 D HN 0.418 nan 8.370 nan 0.000 0.416 372 I N 1.049 121.720 120.570 0.169 0.000 2.404 372 I HA 0.171 4.302 4.170 -0.066 0.000 0.293 372 I C 0.634 176.557 176.117 -0.322 0.000 0.992 372 I CA -0.743 60.560 61.300 0.006 0.000 1.149 372 I CB 1.643 39.672 38.000 0.049 0.000 1.315 372 I HN -0.206 nan 8.210 nan 0.000 0.446 373 D N 8.905 128.830 120.400 -0.792 0.000 2.382 373 D HA 0.108 4.708 4.640 -0.066 0.000 0.259 373 D C -1.692 174.292 176.300 -0.528 0.000 1.224 373 D CA -1.650 51.658 54.000 -1.153 0.000 0.894 373 D CB 1.616 41.826 40.800 -0.983 0.000 1.127 373 D HN 0.196 nan 8.370 nan 0.000 0.487 374 P HA -0.118 nan 4.420 nan 0.000 0.217 374 P C 0.639 177.734 177.300 -0.343 0.000 1.148 374 P CA 0.811 63.670 63.100 -0.402 0.000 0.828 374 P CB 0.323 31.712 31.700 -0.517 0.000 0.783 375 D N -1.210 119.029 120.400 -0.269 0.000 2.219 375 D HA -0.079 4.521 4.640 -0.066 0.000 0.205 375 D C 1.829 178.094 176.300 -0.059 0.000 0.970 375 D CA 0.882 54.807 54.000 -0.126 0.000 0.851 375 D CB -0.412 40.368 40.800 -0.032 0.000 0.943 375 D HN 0.061 nan 8.370 nan 0.000 0.488 376 V N 0.743 120.584 119.914 -0.122 0.000 2.788 376 V HA -0.025 4.055 4.120 -0.066 0.000 0.251 376 V C 2.282 178.314 176.094 -0.102 0.000 1.068 376 V CA 1.336 63.616 62.300 -0.033 0.000 1.090 376 V CB -0.170 31.651 31.823 -0.004 0.000 0.710 376 V HN 0.156 nan 8.190 nan 0.000 0.467 377 A N -1.347 121.216 122.820 -0.427 0.000 2.030 377 A HA 0.024 4.304 4.320 -0.066 0.000 0.215 377 A C 1.110 178.493 177.584 -0.334 0.000 1.164 377 A CA 0.000 51.465 52.037 -0.954 0.000 0.697 377 A CB -0.403 17.951 19.000 -1.075 0.000 0.827 377 A HN 0.507 nan 8.150 nan 0.000 0.457 378 Y N 2.251 122.420 120.300 -0.219 0.000 2.810 378 Y HA 0.242 4.753 4.550 -0.064 0.000 0.332 378 Y C 0.711 176.697 175.900 0.142 0.000 1.243 378 Y CA 0.752 58.827 58.100 -0.042 0.000 1.537 378 Y CB 0.283 38.707 38.460 -0.060 0.000 1.265 378 Y HN 0.450 nan 8.280 nan 0.000 0.572 379 S N 1.390 116.814 115.700 -0.460 0.000 2.671 379 S HA 0.210 4.640 4.470 -0.066 0.000 0.270 379 S C 0.073 174.565 174.600 -0.179 0.000 1.166 379 S CA -0.373 57.707 58.200 -0.201 0.000 0.868 379 S CB 0.786 64.140 63.200 0.257 0.000 1.190 379 S HN 0.434 nan 8.310 nan 0.000 0.494 380 S N 0.169 115.846 115.700 -0.039 0.000 2.515 380 S HA 0.025 4.455 4.470 -0.066 0.000 0.231 380 S C 1.776 176.483 174.600 0.178 0.000 0.987 380 S CA 0.862 59.084 58.200 0.036 0.000 0.936 380 S CB -0.604 62.564 63.200 -0.053 0.000 0.766 380 S HN 0.547 nan 8.310 nan 0.000 0.528 381 V N 3.343 123.348 119.914 0.152 0.000 2.233 381 V HA -0.152 3.929 4.120 -0.066 0.000 0.247 381 V C -0.329 175.846 176.094 0.134 0.000 1.050 381 V CA 1.850 64.224 62.300 0.123 0.000 1.010 381 V CB -1.770 30.117 31.823 0.107 0.000 0.637 381 V HN 0.370 nan 8.190 nan 0.000 0.444 382 P HA -0.190 nan 4.420 nan 0.000 0.216 382 P C 1.336 178.661 177.300 0.042 0.000 1.150 382 P CA 1.829 64.979 63.100 0.083 0.000 0.837 382 P CB -0.163 31.543 31.700 0.010 0.000 0.786 383 Y N 0.883 121.219 120.300 0.060 0.000 2.070 383 Y HA -0.166 4.332 4.550 -0.087 0.000 0.280 383 Y C 2.738 178.739 175.900 0.168 0.000 1.148 383 Y CA 1.569 59.731 58.100 0.104 0.000 1.125 383 Y CB -1.061 37.433 38.460 0.057 0.000 0.975 383 Y HN -0.043 nan 8.280 nan 0.000 0.492 384 E N -0.173 120.209 120.200 0.303 0.000 2.190 384 E HA -0.078 4.232 4.350 -0.066 0.000 0.191 384 E C 1.977 178.731 176.600 0.257 0.000 0.978 384 E CA 0.508 57.061 56.400 0.256 0.000 0.839 384 E CB -0.135 29.636 29.700 0.119 0.000 0.787 384 E HN 0.409 nan 8.360 nan 0.000 0.473 385 K N 0.637 121.133 120.400 0.160 0.000 2.116 385 K HA -0.041 4.240 4.320 -0.066 0.000 0.203 385 K C 2.082 178.779 176.600 0.163 0.000 1.052 385 K CA 1.061 57.431 56.287 0.139 0.000 0.952 385 K CB -0.164 32.348 32.500 0.020 0.000 0.729 385 K HN 0.099 nan 8.250 nan 0.000 0.446 386 G N 0.996 109.881 108.800 0.142 0.000 2.459 386 G HA2 -0.306 3.614 3.960 -0.066 0.000 0.217 386 G HA3 -0.306 3.614 3.960 -0.066 0.000 0.217 386 G C 1.320 176.354 174.900 0.222 0.000 1.183 386 G CA 0.818 46.031 45.100 0.189 0.000 0.776 386 G HN 0.385 nan 8.290 nan 0.000 0.552 387 F N 2.529 122.594 119.950 0.192 0.000 2.091 387 F HA -0.051 4.435 4.527 -0.067 0.000 0.299 387 F C 2.844 178.808 175.800 0.273 0.000 1.103 387 F CA 1.691 59.828 58.000 0.228 0.000 1.228 387 F CB -0.424 38.706 39.000 0.216 0.000 0.984 387 F HN 0.238 nan 8.300 nan 0.000 0.477 388 A N 0.413 123.448 122.820 0.358 0.000 1.908 388 A HA -0.212 4.068 4.320 -0.066 0.000 0.218 388 A C 2.129 179.808 177.584 0.159 0.000 1.181 388 A CA 1.826 54.115 52.037 0.419 0.000 0.627 388 A CB -1.366 18.093 19.000 0.766 0.000 0.818 388 A HN 0.535 nan 8.150 nan 0.000 0.445 389 L N -0.185 121.021 121.223 -0.029 0.000 2.012 389 L HA -0.157 4.144 4.340 -0.066 0.000 0.210 389 L C 2.277 178.868 176.870 -0.465 0.000 1.073 389 L CA 1.905 56.353 54.840 -0.653 0.000 0.748 389 L CB -0.544 41.165 42.059 -0.584 0.000 0.891 389 L HN 0.425 nan 8.230 nan 0.000 0.431 390 L N -2.184 118.846 121.223 -0.322 0.000 2.109 390 L HA -0.172 4.128 4.340 -0.066 0.000 0.207 390 L C 2.401 178.895 176.870 -0.626 0.000 1.086 390 L CA 0.889 55.459 54.840 -0.451 0.000 0.760 390 L CB -0.697 41.151 42.059 -0.351 0.000 0.910 390 L HN 0.240 nan 8.230 nan 0.000 0.437 391 F N 0.033 119.590 119.950 -0.655 0.000 2.146 391 F HA -0.269 4.220 4.527 -0.064 0.000 0.298 391 F C 2.572 178.121 175.800 -0.418 0.000 1.096 391 F CA 1.226 58.901 58.000 -0.542 0.000 1.275 391 F CB -0.524 38.055 39.000 -0.702 0.000 1.008 391 F HN 0.058 nan 8.300 nan 0.000 0.480 392 Y N 0.473 120.467 120.300 -0.509 0.000 2.181 392 Y HA -0.183 4.327 4.550 -0.068 0.000 0.288 392 Y C 2.045 177.573 175.900 -0.620 0.000 1.146 392 Y CA 1.753 59.526 58.100 -0.545 0.000 1.164 392 Y CB -0.820 37.374 38.460 -0.443 0.000 0.982 392 Y HN 0.091 nan 8.280 nan 0.000 0.515 393 L N 0.389 121.030 121.223 -0.969 0.000 2.046 393 L HA -0.231 4.069 4.340 -0.066 0.000 0.208 393 L C 2.627 178.874 176.870 -1.039 0.000 1.077 393 L CA 1.975 56.183 54.840 -1.054 0.000 0.747 393 L CB -0.765 40.781 42.059 -0.854 0.000 0.896 393 L HN 0.322 nan 8.230 nan 0.000 0.432 394 E N 0.224 119.725 120.200 -1.165 0.000 2.086 394 E HA -0.316 3.994 4.350 -0.066 0.000 0.200 394 E C 2.129 178.454 176.600 -0.458 0.000 1.012 394 E CA 1.887 57.857 56.400 -0.717 0.000 0.812 394 E CB -0.006 29.479 29.700 -0.360 0.000 0.743 394 E HN 0.580 nan 8.360 nan 0.000 0.453 395 Q N -0.256 119.214 119.800 -0.549 0.000 2.187 395 Q HA -0.097 4.203 4.340 -0.066 0.000 0.199 395 Q C 2.301 178.074 176.000 -0.377 0.000 0.957 395 Q CA 0.676 56.222 55.803 -0.427 0.000 0.857 395 Q CB -0.009 28.438 28.738 -0.485 0.000 0.929 395 Q HN 0.254 nan 8.270 nan 0.000 0.453 396 L N 0.299 121.212 121.223 -0.517 0.000 2.093 396 L HA -0.110 4.190 4.340 -0.066 0.000 0.208 396 L C 1.561 178.190 176.870 -0.401 0.000 1.085 396 L CA 1.665 56.209 54.840 -0.492 0.000 0.755 396 L CB 0.034 41.636 42.059 -0.762 0.000 0.904 396 L HN 0.162 nan 8.230 nan 0.000 0.435 397 L N -1.435 119.526 121.223 -0.438 0.000 2.667 397 L HA 0.372 4.672 4.340 -0.066 0.000 0.232 397 L C 1.108 177.868 176.870 -0.183 0.000 1.138 397 L CA 0.510 55.111 54.840 -0.399 0.000 0.921 397 L CB 0.099 41.737 42.059 -0.702 0.000 1.180 397 L HN 0.421 nan 8.230 nan 0.000 0.487 398 G N -0.946 107.772 108.800 -0.136 0.000 2.164 398 G HA2 0.110 4.030 3.960 -0.066 0.000 0.154 398 G HA3 0.110 4.030 3.960 -0.066 0.000 0.154 398 G C 0.422 175.328 174.900 0.011 0.000 1.014 398 G CA -0.337 44.737 45.100 -0.043 0.000 0.683 398 G HN 0.723 nan 8.290 nan 0.000 0.500 399 G N -0.812 107.990 108.800 0.003 0.000 2.462 399 G HA2 0.389 4.309 3.960 -0.066 0.000 0.685 399 G HA3 0.389 4.309 3.960 -0.066 0.000 0.685 399 G C -1.217 173.796 174.900 0.190 0.000 1.295 399 G CA 0.252 45.393 45.100 0.068 0.000 0.941 399 G HN 0.561 nan 8.290 nan 0.000 0.554 400 P HA -0.001 nan 4.420 nan 0.000 0.219 400 P C 1.238 178.724 177.300 0.310 0.000 1.150 400 P CA 1.589 64.927 63.100 0.396 0.000 0.814 400 P CB 0.148 32.124 31.700 0.460 0.000 0.787 401 E N -0.256 120.076 120.200 0.219 0.000 2.106 401 E HA -0.078 4.232 4.350 -0.066 0.000 0.192 401 E C 2.233 178.950 176.600 0.195 0.000 0.984 401 E CA 0.733 57.231 56.400 0.164 0.000 0.806 401 E CB -0.392 29.381 29.700 0.123 0.000 0.750 401 E HN 0.279 nan 8.360 nan 0.000 0.458 402 I N 0.241 120.956 120.570 0.242 0.000 2.202 402 I HA -0.239 3.891 4.170 -0.066 0.000 0.242 402 I C 2.195 178.572 176.117 0.434 0.000 1.091 402 I CA 0.879 62.366 61.300 0.312 0.000 1.368 402 I CB -0.098 38.079 38.000 0.296 0.000 1.058 402 I HN 0.041 nan 8.210 nan 0.000 0.410 403 F N 1.032 121.159 119.950 0.294 0.000 2.206 403 F HA -0.121 4.364 4.527 -0.069 0.000 0.298 403 F C 2.181 178.182 175.800 0.335 0.000 1.090 403 F CA 1.351 59.559 58.000 0.348 0.000 1.323 403 F CB -0.132 39.009 39.000 0.235 0.000 1.028 403 F HN -0.103 nan 8.300 nan 0.000 0.492 404 L N -0.617 120.782 121.223 0.292 0.000 2.131 404 L HA -0.173 4.127 4.340 -0.066 0.000 0.210 404 L C 2.709 179.581 176.870 0.003 0.000 1.092 404 L CA 1.236 56.142 54.840 0.110 0.000 0.759 404 L CB -1.421 40.631 42.059 -0.013 0.000 0.903 404 L HN 0.289 nan 8.230 nan 0.000 0.435 405 G N -0.139 108.690 108.800 0.048 0.000 2.418 405 G HA2 -0.343 3.577 3.960 -0.066 0.000 0.217 405 G HA3 -0.343 3.577 3.960 -0.066 0.000 0.217 405 G C 1.463 176.221 174.900 -0.236 0.000 1.158 405 G CA 0.731 45.844 45.100 0.023 0.000 0.771 405 G HN 0.382 nan 8.290 nan 0.000 0.545 406 F N 0.927 120.491 119.950 -0.642 0.000 2.146 406 F HA 0.083 4.570 4.527 -0.066 0.000 0.298 406 F C 2.208 177.661 175.800 -0.578 0.000 1.096 406 F CA 1.156 58.398 58.000 -1.263 0.000 1.275 406 F CB -0.305 37.996 39.000 -1.165 0.000 1.008 406 F HN 0.094 nan 8.300 nan 0.000 0.480 407 L N 1.140 122.030 121.223 -0.555 0.000 2.046 407 L HA -0.188 4.112 4.340 -0.066 0.000 0.208 407 L C 2.519 179.260 176.870 -0.215 0.000 1.077 407 L CA 2.032 56.671 54.840 -0.334 0.000 0.747 407 L CB -0.908 41.150 42.059 -0.002 0.000 0.896 407 L HN 0.223 nan 8.230 nan 0.000 0.432 408 K N -0.912 119.366 120.400 -0.204 0.000 2.057 408 K HA -0.124 4.156 4.320 -0.066 0.000 0.206 408 K C 1.982 178.481 176.600 -0.169 0.000 1.050 408 K CA 1.129 57.323 56.287 -0.154 0.000 0.935 408 K CB -0.175 32.256 32.500 -0.115 0.000 0.715 408 K HN 0.445 nan 8.250 nan 0.000 0.439 409 A N 0.386 123.075 122.820 -0.219 0.000 1.930 409 A HA -0.190 4.091 4.320 -0.066 0.000 0.217 409 A C 2.009 179.469 177.584 -0.207 0.000 1.175 409 A CA 1.297 53.259 52.037 -0.124 0.000 0.627 409 A CB -0.798 18.204 19.000 0.003 0.000 0.815 409 A HN 0.584 nan 8.150 nan 0.000 0.443 410 Y N 0.780 120.814 120.300 -0.443 0.000 2.145 410 Y HA -0.186 4.322 4.550 -0.070 0.000 0.286 410 Y C 2.226 177.928 175.900 -0.330 0.000 1.145 410 Y CA 1.934 59.743 58.100 -0.486 0.000 1.148 410 Y CB -0.501 37.552 38.460 -0.677 0.000 0.981 410 Y HN 0.053 nan 8.280 nan 0.000 0.507 411 V N 0.872 120.572 119.914 -0.356 0.000 2.287 411 V HA -0.322 3.758 4.120 -0.066 0.000 0.248 411 V C 2.255 178.165 176.094 -0.306 0.000 1.053 411 V CA 2.387 64.500 62.300 -0.312 0.000 1.027 411 V CB -0.737 31.055 31.823 -0.053 0.000 0.646 411 V HN 0.423 nan 8.190 nan 0.000 0.447 412 E N -0.071 119.973 120.200 -0.261 0.000 2.085 412 E HA -0.303 4.007 4.350 -0.066 0.000 0.194 412 E C 2.219 178.603 176.600 -0.360 0.000 0.994 412 E CA 1.657 57.914 56.400 -0.238 0.000 0.801 412 E CB -0.174 29.421 29.700 -0.174 0.000 0.743 412 E HN 0.448 nan 8.360 nan 0.000 0.453 413 K N 0.251 120.298 120.400 -0.589 0.000 2.057 413 K HA -0.117 4.164 4.320 -0.066 0.000 0.207 413 K C 0.819 176.853 176.600 -0.943 0.000 1.049 413 K CA 1.310 57.044 56.287 -0.922 0.000 0.931 413 K CB -0.032 31.491 32.500 -1.629 0.000 0.714 413 K HN 0.046 nan 8.250 nan 0.000 0.440 414 F N 0.588 120.234 119.950 -0.507 0.000 2.668 414 F HA 0.388 4.875 4.527 -0.067 0.000 0.301 414 F C 0.063 175.649 175.800 -0.358 0.000 1.106 414 F CA -0.572 57.178 58.000 -0.417 0.000 1.289 414 F CB 0.133 38.832 39.000 -0.502 0.000 1.006 414 F HN -0.269 nan 8.300 nan 0.000 0.535 415 S N 0.213 115.761 115.700 -0.255 0.000 2.546 415 S HA 0.008 4.439 4.470 -0.066 0.000 0.290 415 S C 0.056 174.460 174.600 -0.327 0.000 1.290 415 S CA 0.277 58.219 58.200 -0.430 0.000 1.069 415 S CB -0.356 62.514 63.200 -0.550 0.000 0.846 415 S HN 0.541 nan 8.310 nan 0.000 0.495 416 Y N -0.519 119.736 120.300 -0.075 0.000 4.841 416 Y HA -0.246 4.265 4.550 -0.066 0.000 0.242 416 Y C 0.536 176.409 175.900 -0.045 0.000 1.002 416 Y CA 0.486 58.545 58.100 -0.069 0.000 2.011 416 Y CB -1.610 36.791 38.460 -0.097 0.000 1.554 416 Y HN 0.412 nan 8.280 nan 0.000 0.618 417 K N 0.200 120.619 120.400 0.032 0.000 2.306 417 K HA 0.817 5.097 4.320 -0.066 0.000 0.236 417 K C -0.146 176.439 176.600 -0.026 0.000 1.013 417 K CA -0.909 55.394 56.287 0.026 0.000 0.857 417 K CB 1.965 34.506 32.500 0.069 0.000 1.214 417 K HN -0.086 nan 8.250 nan 0.000 0.449 418 S N 0.823 116.496 115.700 -0.044 0.000 2.502 418 S HA 0.685 5.115 4.470 -0.066 0.000 0.304 418 S C -0.119 174.398 174.600 -0.138 0.000 1.097 418 S CA -0.830 57.315 58.200 -0.091 0.000 1.045 418 S CB 0.625 63.779 63.200 -0.077 0.000 1.019 418 S HN 0.579 nan 8.310 nan 0.000 0.481 419 I N -0.159 120.284 120.570 -0.210 0.000 3.074 419 I HA 0.833 4.963 4.170 -0.066 0.000 0.310 419 I C -0.205 175.723 176.117 -0.315 0.000 1.153 419 I CA -0.865 60.256 61.300 -0.297 0.000 0.993 419 I CB 2.229 39.905 38.000 -0.539 0.000 1.237 419 I HN 0.580 nan 8.210 nan 0.000 0.443 420 T N -1.163 113.177 114.554 -0.357 0.000 2.937 420 T HA 0.365 4.676 4.350 -0.066 0.000 0.283 420 T C 0.869 175.431 174.700 -0.230 0.000 1.012 420 T CA -0.050 61.697 62.100 -0.588 0.000 0.997 420 T CB 1.413 69.931 68.868 -0.582 0.000 1.136 420 T HN 0.703 nan 8.240 nan 0.000 0.551 421 T N 1.022 115.540 114.554 -0.059 0.000 2.699 421 T HA -0.134 4.177 4.350 -0.066 0.000 0.268 421 T C 1.391 176.338 174.700 0.412 0.000 1.036 421 T CA 1.800 64.136 62.100 0.392 0.000 1.147 421 T CB -0.563 68.720 68.868 0.691 0.000 0.862 421 T HN 0.660 nan 8.240 nan 0.000 0.446 422 D N 0.944 121.490 120.400 0.244 0.000 2.178 422 D HA -0.070 4.530 4.640 -0.066 0.000 0.202 422 D C 1.919 178.311 176.300 0.155 0.000 0.974 422 D CA 0.776 54.890 54.000 0.190 0.000 0.841 422 D CB -0.306 40.570 40.800 0.127 0.000 0.953 422 D HN 0.353 nan 8.370 nan 0.000 0.478 423 D N 0.130 120.584 120.400 0.091 0.000 2.104 423 D HA -0.164 4.436 4.640 -0.066 0.000 0.194 423 D C 1.873 178.292 176.300 0.198 0.000 0.994 423 D CA 0.676 54.713 54.000 0.062 0.000 0.830 423 D CB -0.549 40.127 40.800 -0.207 0.000 0.959 423 D HN 0.360 nan 8.370 nan 0.000 0.452 424 W N 2.290 123.605 121.300 0.024 0.000 2.355 424 W HA -0.162 4.461 4.660 -0.062 0.000 0.309 424 W C 2.297 179.022 176.519 0.343 0.000 1.206 424 W CA 1.621 59.108 57.345 0.237 0.000 1.284 424 W CB -0.092 29.454 29.460 0.143 0.000 1.145 424 W HN -0.154 nan 8.180 nan 0.000 0.502 425 K N 0.219 120.752 120.400 0.221 0.000 2.057 425 K HA -0.231 4.049 4.320 -0.066 0.000 0.207 425 K C 1.917 178.474 176.600 -0.071 0.000 1.049 425 K CA 1.883 58.056 56.287 -0.190 0.000 0.931 425 K CB -0.688 31.791 32.500 -0.035 0.000 0.714 425 K HN 0.149 nan 8.250 nan 0.000 0.440 426 D N -0.280 120.159 120.400 0.064 0.000 2.104 426 D HA -0.181 4.420 4.640 -0.066 0.000 0.194 426 D C 1.788 178.225 176.300 0.228 0.000 0.994 426 D CA 1.080 55.150 54.000 0.117 0.000 0.830 426 D CB -0.019 40.878 40.800 0.161 0.000 0.959 426 D HN 0.147 nan 8.370 nan 0.000 0.452 427 F N 1.383 121.451 119.950 0.197 0.000 2.186 427 F HA -0.136 4.351 4.527 -0.066 0.000 0.299 427 F C 2.139 178.091 175.800 0.253 0.000 1.090 427 F CA 0.578 58.739 58.000 0.269 0.000 1.307 427 F CB -0.516 38.768 39.000 0.474 0.000 1.019 427 F HN -0.080 nan 8.300 nan 0.000 0.489 428 L N -0.508 120.704 121.223 -0.018 0.000 2.012 428 L HA -0.272 4.028 4.340 -0.066 0.000 0.210 428 L C 2.092 178.876 176.870 -0.143 0.000 1.073 428 L CA 1.999 56.660 54.840 -0.299 0.000 0.748 428 L CB -1.153 40.452 42.059 -0.756 0.000 0.891 428 L HN 0.192 nan 8.230 nan 0.000 0.431 429 Y N -1.202 118.999 120.300 -0.165 0.000 2.242 429 Y HA -0.208 4.301 4.550 -0.067 0.000 0.291 429 Y C 3.012 178.868 175.900 -0.074 0.000 1.137 429 Y CA 1.830 59.880 58.100 -0.083 0.000 1.181 429 Y CB -0.507 37.893 38.460 -0.099 0.000 0.989 429 Y HN 0.330 nan 8.280 nan 0.000 0.527 430 S N -0.896 114.830 115.700 0.043 0.000 2.348 430 S HA -0.289 4.142 4.470 -0.066 0.000 0.221 430 S C 2.020 176.502 174.600 -0.196 0.000 1.033 430 S CA 1.412 59.583 58.200 -0.049 0.000 1.010 430 S CB -0.784 62.416 63.200 -0.001 0.000 0.891 430 S HN 0.556 nan 8.310 nan 0.000 0.442 431 Y N 0.617 120.588 120.300 -0.549 0.000 2.207 431 Y HA -0.015 4.497 4.550 -0.063 0.000 0.287 431 Y C 0.679 176.211 175.900 -0.613 0.000 1.156 431 Y CA 1.604 59.304 58.100 -0.665 0.000 1.182 431 Y CB -0.149 37.799 38.460 -0.853 0.000 0.979 431 Y HN 0.335 nan 8.280 nan 0.000 0.521 432 F N 0.973 120.825 119.950 -0.163 0.000 2.983 432 F HA 0.227 4.713 4.527 -0.068 0.000 0.307 432 F C 1.453 177.142 175.800 -0.185 0.000 1.218 432 F CA -0.587 57.297 58.000 -0.192 0.000 1.323 432 F CB -0.233 38.649 39.000 -0.197 0.000 0.989 432 F HN -0.000 nan 8.300 nan 0.000 0.509 433 K N -1.269 119.099 120.400 -0.054 0.000 2.211 433 K HA -0.171 4.109 4.320 -0.066 0.000 0.204 433 K C 0.717 177.310 176.600 -0.011 0.000 1.047 433 K CA 1.873 58.150 56.287 -0.017 0.000 0.935 433 K CB -0.128 32.354 32.500 -0.031 0.000 0.728 433 K HN 0.037 nan 8.250 nan 0.000 0.452 434 D N 0.819 121.202 120.400 -0.027 0.000 2.363 434 D HA 0.001 4.602 4.640 -0.066 0.000 0.226 434 D C 0.378 176.675 176.300 -0.005 0.000 1.020 434 D CA 0.823 54.812 54.000 -0.018 0.000 0.892 434 D CB 0.321 41.102 40.800 -0.032 0.000 0.900 434 D HN 0.332 nan 8.370 nan 0.000 0.531 435 K N -0.108 120.293 120.400 0.001 0.000 2.706 435 K HA 0.118 4.398 4.320 -0.066 0.000 0.203 435 K C 1.055 177.600 176.600 -0.093 0.000 1.102 435 K CA -0.060 56.201 56.287 -0.043 0.000 1.058 435 K CB 1.562 34.031 32.500 -0.052 0.000 0.779 435 K HN -0.169 nan 8.250 nan 0.000 0.483 436 V N 1.048 120.932 119.914 -0.050 0.000 2.490 436 V HA -0.231 3.849 4.120 -0.066 0.000 0.250 436 V C 1.260 177.356 176.094 0.004 0.000 1.061 436 V CA 2.069 64.346 62.300 -0.040 0.000 1.064 436 V CB 0.037 31.913 31.823 0.088 0.000 0.670 436 V HN 0.362 nan 8.190 nan 0.000 0.461 437 D N -0.412 119.990 120.400 0.004 0.000 2.178 437 D HA -0.101 4.499 4.640 -0.066 0.000 0.202 437 D C 2.174 178.467 176.300 -0.013 0.000 0.974 437 D CA 1.447 55.458 54.000 0.019 0.000 0.841 437 D CB -0.044 40.763 40.800 0.012 0.000 0.953 437 D HN 0.434 nan 8.370 nan 0.000 0.478 438 V N 1.305 121.177 119.914 -0.070 0.000 2.295 438 V HA -0.202 3.878 4.120 -0.066 0.000 0.246 438 V C 2.662 178.668 176.094 -0.147 0.000 1.049 438 V CA 1.068 63.293 62.300 -0.124 0.000 1.024 438 V CB -0.420 31.292 31.823 -0.185 0.000 0.648 438 V HN 0.186 nan 8.190 nan 0.000 0.447 439 L N 0.035 121.153 121.223 -0.174 0.000 2.131 439 L HA -0.190 4.110 4.340 -0.066 0.000 0.210 439 L C 1.968 178.945 176.870 0.178 0.000 1.092 439 L CA 1.689 56.447 54.840 -0.137 0.000 0.759 439 L CB -0.686 41.062 42.059 -0.517 0.000 0.903 439 L HN 0.457 nan 8.230 nan 0.000 0.435 440 N N -0.761 118.054 118.700 0.191 0.000 2.521 440 N HA -0.111 4.589 4.740 -0.066 0.000 0.188 440 N C 1.372 176.977 175.510 0.158 0.000 1.146 440 N CA 0.101 53.322 53.050 0.285 0.000 0.893 440 N CB 0.170 38.795 38.487 0.230 0.000 0.975 440 N HN 0.467 nan 8.380 nan 0.000 0.451 441 Q N -0.025 119.809 119.800 0.057 0.000 2.408 441 Q HA 0.112 4.412 4.340 -0.066 0.000 0.205 441 Q C -0.008 175.983 176.000 -0.015 0.000 0.919 441 Q CA 0.122 55.936 55.803 0.018 0.000 0.932 441 Q CB 0.814 29.544 28.738 -0.012 0.000 1.058 441 Q HN 0.105 nan 8.270 nan 0.000 0.517 442 V N 2.607 122.437 119.914 -0.140 0.000 2.572 442 V HA -0.046 4.034 4.120 -0.066 0.000 0.291 442 V C 0.230 176.135 176.094 -0.315 0.000 1.039 442 V CA -0.022 62.061 62.300 -0.361 0.000 1.055 442 V CB 0.861 32.000 31.823 -1.139 0.000 0.969 442 V HN 0.133 nan 8.190 nan 0.000 0.482 443 D N 4.233 124.602 120.400 -0.052 0.000 2.498 443 D HA 0.058 4.658 4.640 -0.066 0.000 0.229 443 D C 0.688 177.072 176.300 0.140 0.000 1.188 443 D CA -0.025 54.011 54.000 0.059 0.000 1.028 443 D CB 0.077 40.912 40.800 0.059 0.000 1.087 443 D HN 0.584 nan 8.370 nan 0.000 0.510 444 W N 2.070 123.546 121.300 0.293 0.000 2.363 444 W HA -0.157 4.461 4.660 -0.069 0.000 0.296 444 W C 2.256 178.915 176.519 0.233 0.000 1.212 444 W CA 0.550 58.059 57.345 0.274 0.000 1.260 444 W CB -0.304 29.310 29.460 0.258 0.000 1.131 444 W HN 0.356 nan 8.180 nan 0.000 0.530 445 N N 0.454 119.430 118.700 0.460 0.000 2.142 445 N HA -0.159 4.541 4.740 -0.066 0.000 0.186 445 N C 1.724 177.395 175.510 0.268 0.000 1.023 445 N CA 2.149 55.452 53.050 0.422 0.000 0.852 445 N CB -0.503 38.178 38.487 0.323 0.000 0.998 445 N HN 0.033 nan 8.380 nan 0.000 0.424 446 A N -0.232 122.678 122.820 0.151 0.000 1.841 446 A HA -0.076 4.204 4.320 -0.066 0.000 0.214 446 A C 2.037 179.590 177.584 -0.052 0.000 1.195 446 A CA 1.309 53.347 52.037 0.001 0.000 0.611 446 A CB -1.446 17.487 19.000 -0.111 0.000 0.835 446 A HN 0.559 nan 8.150 nan 0.000 0.443 447 W N 0.131 121.380 121.300 -0.085 0.000 2.318 447 W HA -0.188 4.431 4.660 -0.068 0.000 0.313 447 W C 2.140 178.511 176.519 -0.247 0.000 1.221 447 W CA 1.704 58.955 57.345 -0.156 0.000 1.266 447 W CB -0.370 28.995 29.460 -0.159 0.000 1.150 447 W HN 0.256 nan 8.180 nan 0.000 0.496 448 L N -2.713 118.469 121.223 -0.068 0.000 2.202 448 L HA -0.073 4.228 4.340 -0.066 0.000 0.205 448 L C 1.366 177.910 176.870 -0.544 0.000 1.083 448 L CA 0.870 55.400 54.840 -0.516 0.000 0.790 448 L CB -0.601 40.882 42.059 -0.960 0.000 0.942 448 L HN -0.000 nan 8.230 nan 0.000 0.452 449 Y N -1.380 118.975 120.300 0.091 0.000 2.453 449 Y HA 0.279 4.789 4.550 -0.066 0.000 0.247 449 Y C 1.031 176.947 175.900 0.027 0.000 1.124 449 Y CA -0.686 57.454 58.100 0.066 0.000 1.243 449 Y CB 0.293 38.808 38.460 0.093 0.000 1.213 449 Y HN -0.121 nan 8.280 nan 0.000 0.523 450 S N 3.199 118.954 115.700 0.091 0.000 2.578 450 S HA 0.398 4.828 4.470 -0.066 0.000 0.283 450 S C -2.485 172.101 174.600 -0.024 0.000 1.195 450 S CA -1.296 56.919 58.200 0.026 0.000 1.050 450 S CB 1.235 64.425 63.200 -0.017 0.000 1.012 450 S HN -0.060 nan 8.310 nan 0.000 0.511 451 P HA 0.515 nan 4.420 nan 0.000 0.276 451 P C 0.356 177.618 177.300 -0.064 0.000 1.252 451 P CA 0.174 63.255 63.100 -0.032 0.000 0.802 451 P CB 0.367 32.056 31.700 -0.018 0.000 1.035 452 G N -0.182 108.581 108.800 -0.063 0.000 2.631 452 G HA2 -0.142 3.778 3.960 -0.066 0.000 0.504 452 G HA3 -0.142 3.778 3.960 -0.066 0.000 0.504 452 G C -0.896 173.911 174.900 -0.155 0.000 1.306 452 G CA -0.741 44.307 45.100 -0.087 0.000 0.897 452 G HN 0.557 nan 8.290 nan 0.000 0.520 453 L N 1.564 122.679 121.223 -0.179 0.000 2.483 453 L HA 0.286 4.586 4.340 -0.066 0.000 0.276 453 L C -1.298 175.394 176.870 -0.296 0.000 1.213 453 L CA -1.190 53.490 54.840 -0.267 0.000 0.843 453 L CB 0.181 42.115 42.059 -0.208 0.000 1.107 453 L HN 0.427 nan 8.230 nan 0.000 0.487 454 P HA -0.023 nan 4.420 nan 0.000 0.269 454 P C -1.918 175.031 177.300 -0.584 0.000 1.211 454 P CA -0.803 61.844 63.100 -0.755 0.000 0.781 454 P CB -0.067 31.052 31.700 -0.969 0.000 0.877 455 P HA 0.001 nan 4.420 nan 0.000 0.223 455 P C 0.241 177.343 177.300 -0.330 0.000 1.151 455 P CA 1.630 64.459 63.100 -0.451 0.000 0.787 455 P CB 0.471 31.905 31.700 -0.443 0.000 0.788 456 I N -0.268 120.056 120.570 -0.410 0.000 2.582 456 I HA 0.293 4.424 4.170 -0.066 0.000 0.292 456 I C 0.027 176.051 176.117 -0.155 0.000 1.066 456 I CA -1.068 60.074 61.300 -0.264 0.000 1.053 456 I CB 3.036 40.778 38.000 -0.430 0.000 1.241 456 I HN -0.206 nan 8.210 nan 0.000 0.421 457 K N 6.959 127.240 120.400 -0.199 0.000 2.213 457 K HA 0.527 4.807 4.320 -0.066 0.000 0.270 457 K C -2.446 173.987 176.600 -0.278 0.000 1.002 457 K CA -1.383 54.660 56.287 -0.407 0.000 0.868 457 K CB 1.601 33.734 32.500 -0.612 0.000 1.093 457 K HN 0.219 nan 8.250 nan 0.000 0.454 458 P HA 0.018 nan 4.420 nan 0.000 0.272 458 P C -1.089 175.931 177.300 -0.466 0.000 1.254 458 P CA -0.330 62.552 63.100 -0.365 0.000 0.795 458 P CB 0.449 31.871 31.700 -0.463 0.000 1.022 459 N N 0.455 118.871 118.700 -0.472 0.000 2.479 459 N HA 0.249 4.949 4.740 -0.066 0.000 0.285 459 N C -0.886 174.466 175.510 -0.263 0.000 1.075 459 N CA 0.041 52.938 53.050 -0.255 0.000 0.967 459 N CB 0.487 38.888 38.487 -0.143 0.000 1.137 459 N HN 0.380 nan 8.380 nan 0.000 0.472 460 Y N -0.594 119.801 120.300 0.158 0.000 2.391 460 Y HA 0.142 4.652 4.550 -0.068 0.000 0.341 460 Y C 0.139 176.221 175.900 0.304 0.000 0.965 460 Y CA -1.149 57.152 58.100 0.335 0.000 1.067 460 Y CB 1.443 40.024 38.460 0.202 0.000 1.199 460 Y HN 0.461 nan 8.280 nan 0.000 0.450 461 D N 2.525 123.271 120.400 0.576 0.000 2.455 461 D HA 0.038 4.638 4.640 -0.066 0.000 0.241 461 D C 0.536 176.991 176.300 0.259 0.000 1.138 461 D CA 0.409 54.542 54.000 0.222 0.000 0.877 461 D CB 0.807 41.570 40.800 -0.062 0.000 1.187 461 D HN 0.439 nan 8.370 nan 0.000 0.451 462 M N 2.312 122.017 119.600 0.175 0.000 2.382 462 M HA 0.003 4.443 4.480 -0.066 0.000 0.247 462 M C 1.716 178.110 176.300 0.157 0.000 1.104 462 M CA 0.206 55.605 55.300 0.164 0.000 1.030 462 M CB -0.551 32.123 32.600 0.124 0.000 1.424 462 M HN 0.446 nan 8.290 nan 0.000 0.486 463 T N 2.176 116.810 114.554 0.133 0.000 2.594 463 T HA -0.206 4.104 4.350 -0.066 0.000 0.266 463 T C 1.844 176.621 174.700 0.129 0.000 1.070 463 T CA 1.665 63.831 62.100 0.109 0.000 1.166 463 T CB -0.428 68.490 68.868 0.083 0.000 0.862 463 T HN 0.372 nan 8.240 nan 0.000 0.436 464 L N 0.214 121.543 121.223 0.177 0.000 2.446 464 L HA 0.067 4.367 4.340 -0.066 0.000 0.219 464 L C 2.648 179.692 176.870 0.290 0.000 1.116 464 L CA 0.700 55.631 54.840 0.152 0.000 0.844 464 L CB -0.451 41.620 42.059 0.019 0.000 0.970 464 L HN 0.268 nan 8.230 nan 0.000 0.457 465 T N -0.942 113.829 114.554 0.362 0.000 3.014 465 T HA -0.050 4.260 4.350 -0.066 0.000 0.263 465 T C 1.588 176.420 174.700 0.219 0.000 1.078 465 T CA 0.854 63.158 62.100 0.340 0.000 1.135 465 T CB -0.168 68.821 68.868 0.201 0.000 0.895 465 T HN 0.366 nan 8.240 nan 0.000 0.480 466 N N 1.449 120.251 118.700 0.169 0.000 2.036 466 N HA -0.119 4.581 4.740 -0.066 0.000 0.195 466 N C 2.164 177.754 175.510 0.133 0.000 1.037 466 N CA 1.151 54.279 53.050 0.131 0.000 0.855 466 N CB -0.179 38.370 38.487 0.104 0.000 1.033 466 N HN 0.334 nan 8.380 nan 0.000 0.423 467 A N 0.330 123.226 122.820 0.126 0.000 2.019 467 A HA -0.146 4.134 4.320 -0.066 0.000 0.219 467 A C 2.359 180.032 177.584 0.148 0.000 1.164 467 A CA 1.031 53.134 52.037 0.111 0.000 0.644 467 A CB -0.792 18.252 19.000 0.075 0.000 0.805 467 A HN 0.491 nan 8.150 nan 0.000 0.449 468 C N -0.890 118.529 119.300 0.197 0.000 2.466 468 C HA 0.022 4.443 4.460 -0.066 0.000 0.278 468 C C 2.511 177.682 174.990 0.301 0.000 1.288 468 C CA 0.746 59.928 59.018 0.274 0.000 1.722 468 C CB -1.193 26.730 27.740 0.306 0.000 2.017 468 C HN 0.632 nan 8.230 nan 0.000 0.488 469 I N 1.430 122.131 120.570 0.219 0.000 2.315 469 I HA -0.170 3.960 4.170 -0.066 0.000 0.248 469 I C 2.764 179.004 176.117 0.204 0.000 1.117 469 I CA 1.489 62.902 61.300 0.188 0.000 1.404 469 I CB -0.536 37.544 38.000 0.134 0.000 1.071 469 I HN 0.278 nan 8.210 nan 0.000 0.419 470 A N 0.655 123.586 122.820 0.185 0.000 1.898 470 A HA -0.201 4.079 4.320 -0.066 0.000 0.216 470 A C 2.218 179.942 177.584 0.233 0.000 1.181 470 A CA 1.367 53.508 52.037 0.172 0.000 0.620 470 A CB -0.713 18.363 19.000 0.127 0.000 0.819 470 A HN 0.347 nan 8.150 nan 0.000 0.442 471 L N -0.244 121.141 121.223 0.270 0.000 2.056 471 L HA -0.064 4.236 4.340 -0.066 0.000 0.207 471 L C 2.652 179.922 176.870 0.667 0.000 1.078 471 L CA 2.361 57.421 54.840 0.367 0.000 0.749 471 L CB -0.749 41.383 42.059 0.121 0.000 0.901 471 L HN 0.382 nan 8.230 nan 0.000 0.433 472 S N -1.307 114.796 115.700 0.672 0.000 2.353 472 S HA -0.232 4.198 4.470 -0.066 0.000 0.222 472 S C 1.988 176.833 174.600 0.409 0.000 1.035 472 S CA 1.308 59.830 58.200 0.537 0.000 1.025 472 S CB -0.239 63.118 63.200 0.261 0.000 0.902 472 S HN 0.553 nan 8.310 nan 0.000 0.440 473 Q N 0.892 120.877 119.800 0.307 0.000 2.096 473 Q HA -0.069 4.231 4.340 -0.066 0.000 0.204 473 Q C 2.409 178.571 176.000 0.270 0.000 0.982 473 Q CA 1.336 57.282 55.803 0.238 0.000 0.850 473 Q CB -0.509 28.332 28.738 0.172 0.000 0.901 473 Q HN 0.596 nan 8.270 nan 0.000 0.422 474 R N -0.914 119.775 120.500 0.316 0.000 2.091 474 R HA -0.182 4.118 4.340 -0.066 0.000 0.238 474 R C 2.136 178.663 176.300 0.377 0.000 1.136 474 R CA 1.634 57.915 56.100 0.302 0.000 0.959 474 R CB -0.329 30.167 30.300 0.327 0.000 0.856 474 R HN 0.328 nan 8.270 nan 0.000 0.437 475 W N 0.530 122.035 121.300 0.343 0.000 2.388 475 W HA -0.017 4.604 4.660 -0.065 0.000 0.294 475 W C 1.992 178.679 176.519 0.280 0.000 1.212 475 W CA 0.573 58.058 57.345 0.233 0.000 1.271 475 W CB -0.213 29.313 29.460 0.111 0.000 1.126 475 W HN 0.008 nan 8.180 nan 0.000 0.535 476 I N -0.119 120.705 120.570 0.423 0.000 2.252 476 I HA -0.270 3.861 4.170 -0.066 0.000 0.245 476 I C 2.557 178.804 176.117 0.217 0.000 1.102 476 I CA 1.891 63.347 61.300 0.261 0.000 1.385 476 I CB -0.854 37.247 38.000 0.169 0.000 1.064 476 I HN -0.025 nan 8.210 nan 0.000 0.414 477 T N -0.933 113.745 114.554 0.206 0.000 3.118 477 T HA 0.260 4.570 4.350 -0.066 0.000 0.260 477 T C 0.913 175.716 174.700 0.171 0.000 1.139 477 T CA 0.129 62.321 62.100 0.154 0.000 1.085 477 T CB -0.405 68.531 68.868 0.114 0.000 0.934 477 T HN 0.215 nan 8.240 nan 0.000 0.518 478 A N 1.319 124.286 122.820 0.245 0.000 2.483 478 A HA 0.538 4.819 4.320 -0.066 0.000 0.238 478 A C 0.288 178.029 177.584 0.262 0.000 1.070 478 A CA -0.322 51.830 52.037 0.190 0.000 0.770 478 A CB 0.204 19.303 19.000 0.165 0.000 1.008 478 A HN 0.433 nan 8.150 nan 0.000 0.497 479 K N -0.097 120.374 120.400 0.119 0.000 2.267 479 K HA 0.325 4.605 4.320 -0.066 0.000 0.236 479 K C 1.241 177.873 176.600 0.053 0.000 1.030 479 K CA -0.141 56.222 56.287 0.128 0.000 0.930 479 K CB 0.648 33.185 32.500 0.062 0.000 1.182 479 K HN 0.801 nan 8.250 nan 0.000 0.474 480 E N 0.878 121.124 120.200 0.076 0.000 2.086 480 E HA -0.294 4.016 4.350 -0.066 0.000 0.200 480 E C 0.702 177.275 176.600 -0.045 0.000 1.012 480 E CA 2.178 58.589 56.400 0.018 0.000 0.812 480 E CB 0.014 29.735 29.700 0.035 0.000 0.743 480 E HN 0.658 nan 8.360 nan 0.000 0.453 481 D N -0.210 120.164 120.400 -0.042 0.000 2.363 481 D HA -0.139 4.462 4.640 -0.066 0.000 0.226 481 D C 0.744 176.975 176.300 -0.115 0.000 1.020 481 D CA 0.609 54.569 54.000 -0.067 0.000 0.892 481 D CB -0.152 40.619 40.800 -0.049 0.000 0.900 481 D HN 0.246 nan 8.370 nan 0.000 0.531 482 D N 0.204 120.518 120.400 -0.144 0.000 2.346 482 D HA 0.058 4.658 4.640 -0.066 0.000 0.206 482 D C 2.207 178.289 176.300 -0.364 0.000 1.001 482 D CA -0.055 53.792 54.000 -0.254 0.000 0.871 482 D CB 0.392 41.053 40.800 -0.231 0.000 0.943 482 D HN 0.282 nan 8.370 nan 0.000 0.518 483 L N 0.982 122.069 121.223 -0.227 0.000 2.127 483 L HA -0.201 4.099 4.340 -0.066 0.000 0.211 483 L C 2.177 178.962 176.870 -0.141 0.000 1.089 483 L CA 0.894 55.649 54.840 -0.142 0.000 0.757 483 L CB -0.450 41.539 42.059 -0.116 0.000 0.899 483 L HN 0.011 nan 8.230 nan 0.000 0.434 484 N N -0.116 118.478 118.700 -0.177 0.000 2.223 484 N HA -0.178 4.522 4.740 -0.066 0.000 0.185 484 N C 1.926 177.309 175.510 -0.212 0.000 1.016 484 N CA 1.297 54.257 53.050 -0.150 0.000 0.863 484 N CB 0.077 38.489 38.487 -0.125 0.000 0.983 484 N HN 0.315 nan 8.380 nan 0.000 0.429 485 S N -1.100 114.373 115.700 -0.378 0.000 2.447 485 S HA -0.007 4.423 4.470 -0.066 0.000 0.233 485 S C 0.366 174.694 174.600 -0.453 0.000 1.006 485 S CA 0.146 58.085 58.200 -0.435 0.000 0.957 485 S CB -0.588 62.280 63.200 -0.554 0.000 0.773 485 S HN 0.135 nan 8.310 nan 0.000 0.507 486 F N 2.992 122.785 119.950 -0.262 0.000 2.471 486 F HA 0.540 5.028 4.527 -0.066 0.000 0.353 486 F C 0.932 176.662 175.800 -0.118 0.000 1.113 486 F CA -0.692 57.176 58.000 -0.221 0.000 1.262 486 F CB 0.240 38.984 39.000 -0.427 0.000 1.146 486 F HN 0.171 nan 8.300 nan 0.000 0.578 487 N N 0.296 119.116 118.700 0.200 0.000 2.598 487 N HA 0.299 4.999 4.740 -0.066 0.000 0.263 487 N C 0.249 175.907 175.510 0.247 0.000 1.254 487 N CA 0.033 53.158 53.050 0.126 0.000 0.863 487 N CB 1.952 40.477 38.487 0.062 0.000 1.586 487 N HN 0.549 nan 8.380 nan 0.000 0.491 488 A N 1.017 123.939 122.820 0.171 0.000 2.042 488 A HA -0.206 4.074 4.320 -0.066 0.000 0.222 488 A C 1.829 179.480 177.584 0.111 0.000 1.167 488 A CA 2.845 54.989 52.037 0.178 0.000 0.649 488 A CB -1.118 17.928 19.000 0.078 0.000 0.809 488 A HN 0.846 nan 8.150 nan 0.000 0.457 489 T N -2.562 112.044 114.554 0.087 0.000 3.007 489 T HA -0.104 4.206 4.350 -0.066 0.000 0.270 489 T C 1.090 175.816 174.700 0.044 0.000 1.107 489 T CA 1.231 63.358 62.100 0.045 0.000 1.118 489 T CB -0.455 68.430 68.868 0.029 0.000 0.889 489 T HN 0.435 nan 8.240 nan 0.000 0.506 490 D N 1.850 122.315 120.400 0.108 0.000 2.221 490 D HA -0.040 4.560 4.640 -0.066 0.000 0.204 490 D C 1.756 178.009 176.300 -0.079 0.000 0.982 490 D CA 0.897 54.942 54.000 0.075 0.000 0.857 490 D CB -0.204 40.745 40.800 0.249 0.000 0.934 490 D HN 0.462 nan 8.370 nan 0.000 0.475 491 L N -0.177 120.959 121.223 -0.146 0.000 2.585 491 L HA 0.123 4.423 4.340 -0.066 0.000 0.226 491 L C 2.130 178.935 176.870 -0.107 0.000 1.113 491 L CA -0.121 54.590 54.840 -0.214 0.000 0.876 491 L CB -0.053 41.827 42.059 -0.299 0.000 1.072 491 L HN -0.116 nan 8.230 nan 0.000 0.468 492 K N 1.063 121.426 120.400 -0.061 0.000 2.066 492 K HA -0.247 4.033 4.320 -0.066 0.000 0.221 492 K C 0.740 177.318 176.600 -0.036 0.000 1.056 492 K CA 2.215 58.481 56.287 -0.036 0.000 0.950 492 K CB 0.038 32.526 32.500 -0.020 0.000 0.726 492 K HN 0.306 nan 8.250 nan 0.000 0.456 493 D N 0.054 120.432 120.400 -0.036 0.000 2.427 493 D HA 0.088 4.688 4.640 -0.066 0.000 0.224 493 D C -0.412 175.866 176.300 -0.037 0.000 1.157 493 D CA 0.202 54.184 54.000 -0.031 0.000 0.828 493 D CB 0.245 41.033 40.800 -0.020 0.000 0.974 493 D HN 0.174 nan 8.370 nan 0.000 0.498 494 L N 1.512 122.706 121.223 -0.048 0.000 2.296 494 L HA 0.211 4.511 4.340 -0.066 0.000 0.286 494 L C 1.055 177.903 176.870 -0.037 0.000 1.023 494 L CA -0.587 54.227 54.840 -0.043 0.000 0.812 494 L CB 1.663 43.685 42.059 -0.061 0.000 1.223 494 L HN -0.078 nan 8.230 nan 0.000 0.421 495 S N 0.779 116.461 115.700 -0.031 0.000 2.617 495 S HA 0.059 4.489 4.470 -0.066 0.000 0.259 495 S C 1.339 175.940 174.600 0.001 0.000 1.301 495 S CA -0.094 58.097 58.200 -0.015 0.000 0.984 495 S CB 1.256 64.453 63.200 -0.005 0.000 0.954 495 S HN 0.739 nan 8.310 nan 0.000 0.572 496 S N 0.226 115.907 115.700 -0.032 0.000 2.400 496 S HA -0.227 4.203 4.470 -0.066 0.000 0.232 496 S C 1.492 176.041 174.600 -0.085 0.000 1.025 496 S CA 1.567 59.706 58.200 -0.102 0.000 0.993 496 S CB -1.225 61.859 63.200 -0.192 0.000 0.808 496 S HN 0.864 nan 8.310 nan 0.000 0.478 497 H N 1.454 120.552 119.070 0.047 0.000 2.389 497 H HA 0.091 4.606 4.556 -0.069 0.000 0.299 497 H C 2.499 177.978 175.328 0.251 0.000 1.081 497 H CA 1.783 57.934 56.048 0.171 0.000 1.345 497 H CB -0.264 29.619 29.762 0.202 0.000 1.393 497 H HN 0.523 nan 8.280 nan 0.000 0.520 498 Q N -0.012 119.919 119.800 0.219 0.000 2.172 498 Q HA -0.042 4.258 4.340 -0.066 0.000 0.200 498 Q C 2.139 178.271 176.000 0.220 0.000 0.964 498 Q CA 0.659 56.600 55.803 0.230 0.000 0.855 498 Q CB 0.131 28.913 28.738 0.075 0.000 0.918 498 Q HN 0.459 nan 8.270 nan 0.000 0.444 499 L N 0.652 121.949 121.223 0.123 0.000 2.017 499 L HA -0.215 4.085 4.340 -0.066 0.000 0.208 499 L C 2.224 179.159 176.870 0.108 0.000 1.073 499 L CA 1.150 56.052 54.840 0.103 0.000 0.745 499 L CB -0.470 41.586 42.059 -0.005 0.000 0.894 499 L HN 0.308 nan 8.230 nan 0.000 0.432 500 N N 0.239 118.981 118.700 0.069 0.000 2.069 500 N HA -0.269 4.431 4.740 -0.066 0.000 0.191 500 N C 1.757 177.319 175.510 0.087 0.000 1.031 500 N CA 1.715 54.794 53.050 0.049 0.000 0.852 500 N CB -0.003 38.527 38.487 0.072 0.000 1.018 500 N HN 0.192 nan 8.380 nan 0.000 0.423 501 E N -0.401 119.919 120.200 0.201 0.000 2.072 501 E HA -0.148 4.163 4.350 -0.066 0.000 0.191 501 E C 1.806 178.488 176.600 0.137 0.000 0.985 501 E CA 0.907 57.398 56.400 0.151 0.000 0.801 501 E CB -0.722 29.125 29.700 0.245 0.000 0.750 501 E HN 0.461 nan 8.360 nan 0.000 0.452 502 F N 0.764 120.754 119.950 0.068 0.000 2.091 502 F HA -0.195 4.292 4.527 -0.067 0.000 0.299 502 F C 1.783 177.580 175.800 -0.004 0.000 1.103 502 F CA 1.689 59.714 58.000 0.042 0.000 1.228 502 F CB -0.438 38.584 39.000 0.037 0.000 0.984 502 F HN 0.087 nan 8.300 nan 0.000 0.477 503 L N -0.084 120.942 121.223 -0.329 0.000 2.093 503 L HA -0.148 4.152 4.340 -0.066 0.000 0.208 503 L C 2.802 179.485 176.870 -0.313 0.000 1.085 503 L CA 1.107 55.670 54.840 -0.463 0.000 0.755 503 L CB -1.035 40.849 42.059 -0.292 0.000 0.904 503 L HN 0.302 nan 8.230 nan 0.000 0.435 504 A N -1.084 121.629 122.820 -0.178 0.000 1.930 504 A HA -0.188 4.092 4.320 -0.066 0.000 0.217 504 A C 2.234 179.739 177.584 -0.131 0.000 1.175 504 A CA 1.037 52.997 52.037 -0.129 0.000 0.627 504 A CB -0.296 18.659 19.000 -0.075 0.000 0.815 504 A HN 0.336 nan 8.150 nan 0.000 0.443 505 Q N -0.328 119.397 119.800 -0.125 0.000 2.124 505 Q HA -0.121 4.179 4.340 -0.066 0.000 0.202 505 Q C 2.130 178.059 176.000 -0.118 0.000 0.977 505 Q CA 2.168 57.921 55.803 -0.083 0.000 0.850 505 Q CB -0.742 27.986 28.738 -0.017 0.000 0.901 505 Q HN 0.698 nan 8.270 nan 0.000 0.429 506 T N 1.287 115.699 114.554 -0.236 0.000 2.852 506 T HA -0.054 4.257 4.350 -0.066 0.000 0.256 506 T C 1.869 176.460 174.700 -0.182 0.000 1.038 506 T CA 0.399 62.360 62.100 -0.232 0.000 1.141 506 T CB -0.328 68.280 68.868 -0.434 0.000 0.869 506 T HN 0.074 nan 8.240 nan 0.000 0.439 507 L N 1.705 122.803 121.223 -0.209 0.000 2.103 507 L HA -0.197 4.103 4.340 -0.066 0.000 0.215 507 L C 2.332 179.120 176.870 -0.136 0.000 1.080 507 L CA 1.783 56.516 54.840 -0.179 0.000 0.764 507 L CB -0.748 41.191 42.059 -0.200 0.000 0.890 507 L HN 0.295 nan 8.230 nan 0.000 0.435 508 Q N -1.244 118.488 119.800 -0.113 0.000 2.364 508 Q HA -0.166 4.134 4.340 -0.066 0.000 0.209 508 Q C 1.339 177.298 176.000 -0.068 0.000 0.977 508 Q CA 1.106 56.859 55.803 -0.082 0.000 0.885 508 Q CB 0.074 28.776 28.738 -0.061 0.000 0.941 508 Q HN 0.400 nan 8.270 nan 0.000 0.464 509 R N -0.744 119.714 120.500 -0.070 0.000 2.509 509 R HA 0.270 4.570 4.340 -0.066 0.000 0.300 509 R C -0.313 175.944 176.300 -0.071 0.000 0.985 509 R CA -0.008 56.059 56.100 -0.054 0.000 1.092 509 R CB 0.723 31.006 30.300 -0.028 0.000 1.237 509 R HN 0.038 nan 8.270 nan 0.000 0.546 510 A N 2.363 125.125 122.820 -0.097 0.000 2.445 510 A HA 0.353 4.633 4.320 -0.066 0.000 0.242 510 A C -1.837 175.685 177.584 -0.103 0.000 1.075 510 A CA -0.888 51.081 52.037 -0.113 0.000 0.777 510 A CB -0.278 18.635 19.000 -0.145 0.000 1.013 510 A HN 0.042 nan 8.150 nan 0.000 0.493 511 P HA 0.456 nan 4.420 nan 0.000 0.277 511 P C -1.018 176.211 177.300 -0.119 0.000 1.240 511 P CA -0.315 62.708 63.100 -0.129 0.000 0.798 511 P CB 0.736 32.356 31.700 -0.134 0.000 0.979 512 L N 3.716 124.862 121.223 -0.129 0.000 2.352 512 L HA 0.521 4.821 4.340 -0.066 0.000 0.269 512 L C -2.095 174.664 176.870 -0.185 0.000 1.034 512 L CA -2.128 52.623 54.840 -0.147 0.000 0.806 512 L CB 0.300 42.304 42.059 -0.090 0.000 1.244 512 L HN 0.292 nan 8.230 nan 0.000 0.447 513 P HA -0.007 nan 4.420 nan 0.000 0.267 513 P C 0.450 177.676 177.300 -0.124 0.000 1.200 513 P CA -0.274 62.693 63.100 -0.222 0.000 0.772 513 P CB 0.499 32.007 31.700 -0.321 0.000 0.855 514 L N 3.380 124.539 121.223 -0.107 0.000 2.141 514 L HA 0.004 4.304 4.340 -0.066 0.000 0.209 514 L C 2.131 178.899 176.870 -0.169 0.000 1.094 514 L CA 2.275 57.020 54.840 -0.159 0.000 0.763 514 L CB -1.528 40.441 42.059 -0.148 0.000 0.908 514 L HN 0.517 nan 8.230 nan 0.000 0.437 515 G N -1.904 106.872 108.800 -0.039 0.000 2.432 515 G HA2 -0.297 3.623 3.960 -0.066 0.000 0.219 515 G HA3 -0.297 3.623 3.960 -0.066 0.000 0.219 515 G C 1.257 176.224 174.900 0.112 0.000 1.135 515 G CA 1.011 46.118 45.100 0.013 0.000 0.767 515 G HN 0.524 nan 8.290 nan 0.000 0.550 516 H N 0.476 119.553 119.070 0.013 0.000 2.326 516 H HA 0.026 4.542 4.556 -0.067 0.000 0.301 516 H C 2.696 178.060 175.328 0.059 0.000 1.081 516 H CA 0.857 57.006 56.048 0.168 0.000 1.334 516 H CB -0.192 29.710 29.762 0.234 0.000 1.385 516 H HN 0.193 nan 8.280 nan 0.000 0.504 517 I N 1.068 121.671 120.570 0.055 0.000 2.163 517 I HA -0.250 3.881 4.170 -0.066 0.000 0.243 517 I C 2.007 178.041 176.117 -0.139 0.000 1.085 517 I CA 1.366 62.649 61.300 -0.028 0.000 1.347 517 I CB -0.947 36.988 38.000 -0.109 0.000 1.044 517 I HN 0.247 nan 8.210 nan 0.000 0.408 518 K N 0.281 120.394 120.400 -0.478 0.000 2.032 518 K HA -0.227 4.053 4.320 -0.066 0.000 0.209 518 K C 2.247 178.754 176.600 -0.156 0.000 1.048 518 K CA 1.428 57.360 56.287 -0.590 0.000 0.927 518 K CB -0.226 31.920 32.500 -0.589 0.000 0.712 518 K HN 0.037 nan 8.250 nan 0.000 0.441 519 R N 1.404 121.869 120.500 -0.058 0.000 2.091 519 R HA -0.084 4.217 4.340 -0.066 0.000 0.238 519 R C 2.097 178.386 176.300 -0.019 0.000 1.136 519 R CA 1.638 57.758 56.100 0.032 0.000 0.959 519 R CB -0.455 29.936 30.300 0.152 0.000 0.856 519 R HN 0.193 nan 8.270 nan 0.000 0.437 520 M N -0.187 119.342 119.600 -0.119 0.000 2.108 520 M HA -0.234 4.206 4.480 -0.066 0.000 0.261 520 M C 2.105 178.157 176.300 -0.415 0.000 1.066 520 M CA 2.154 57.163 55.300 -0.486 0.000 1.107 520 M CB -0.141 32.145 32.600 -0.525 0.000 1.356 520 M HN 0.224 nan 8.290 nan 0.000 0.406 521 Q N 0.651 120.424 119.800 -0.046 0.000 2.079 521 Q HA -0.224 4.076 4.340 -0.066 0.000 0.200 521 Q C 1.687 177.666 176.000 -0.035 0.000 0.974 521 Q CA 2.233 58.061 55.803 0.043 0.000 0.840 521 Q CB -0.387 28.710 28.738 0.599 0.000 0.898 521 Q HN 0.625 nan 8.270 nan 0.000 0.430 522 E N -0.848 119.343 120.200 -0.015 0.000 2.085 522 E HA -0.175 4.135 4.350 -0.066 0.000 0.194 522 E C 1.677 178.224 176.600 -0.089 0.000 0.994 522 E CA 1.990 58.376 56.400 -0.024 0.000 0.801 522 E CB 0.090 29.784 29.700 -0.011 0.000 0.743 522 E HN 0.408 nan 8.360 nan 0.000 0.453 523 V N -2.265 117.530 119.914 -0.198 0.000 2.949 523 V HA 0.004 4.084 4.120 -0.066 0.000 0.245 523 V C 1.548 177.528 176.094 -0.191 0.000 1.086 523 V CA 0.539 62.706 62.300 -0.221 0.000 1.097 523 V CB -0.517 31.141 31.823 -0.275 0.000 0.762 523 V HN 0.152 nan 8.190 nan 0.000 0.470 524 Y N 0.845 120.916 120.300 -0.381 0.000 2.458 524 Y HA 0.377 4.888 4.550 -0.066 0.000 0.254 524 Y C 1.367 176.911 175.900 -0.593 0.000 1.120 524 Y CA -0.722 56.992 58.100 -0.644 0.000 1.282 524 Y CB -1.185 36.491 38.460 -1.308 0.000 1.109 524 Y HN 0.495 nan 8.280 nan 0.000 0.526 525 N N 0.539 119.059 118.700 -0.300 0.000 2.699 525 N HA -0.258 4.442 4.740 -0.066 0.000 0.256 525 N C -0.014 175.387 175.510 -0.182 0.000 0.993 525 N CA -0.162 52.785 53.050 -0.171 0.000 0.759 525 N CB -0.865 37.585 38.487 -0.063 0.000 0.906 525 N HN 0.094 nan 8.380 nan 0.000 0.541 526 F N 0.633 120.305 119.950 -0.464 0.000 2.269 526 F HA -0.079 4.410 4.527 -0.064 0.000 0.301 526 F C 2.235 177.778 175.800 -0.428 0.000 1.082 526 F CA 0.742 58.285 58.000 -0.763 0.000 1.360 526 F CB -0.511 37.355 39.000 -1.892 0.000 1.041 526 F HN 0.309 nan 8.300 nan 0.000 0.512 527 N N 0.252 119.000 118.700 0.081 0.000 2.272 527 N HA -0.140 4.561 4.740 -0.066 0.000 0.185 527 N C 1.869 177.449 175.510 0.117 0.000 1.014 527 N CA 1.223 54.424 53.050 0.251 0.000 0.870 527 N CB -0.427 38.199 38.487 0.230 0.000 0.975 527 N HN 0.259 nan 8.380 nan 0.000 0.433 528 A N -0.016 122.840 122.820 0.061 0.000 2.218 528 A HA 0.200 4.480 4.320 -0.066 0.000 0.209 528 A C 0.835 178.436 177.584 0.028 0.000 1.168 528 A CA -0.208 51.851 52.037 0.037 0.000 0.804 528 A CB -0.012 19.000 19.000 0.021 0.000 0.834 528 A HN 0.125 nan 8.150 nan 0.000 0.482 529 I N 1.220 121.809 120.570 0.032 0.000 2.416 529 I HA 0.068 4.198 4.170 -0.066 0.000 0.288 529 I C 0.302 176.422 176.117 0.005 0.000 1.051 529 I CA -0.406 60.900 61.300 0.011 0.000 1.375 529 I CB 0.818 38.814 38.000 -0.006 0.000 1.407 529 I HN 0.166 nan 8.210 nan 0.000 0.516 530 N N 3.735 122.431 118.700 -0.006 0.000 2.325 530 N HA -0.034 4.667 4.740 -0.066 0.000 0.182 530 N C 0.558 176.056 175.510 -0.021 0.000 1.088 530 N CA 0.145 53.190 53.050 -0.010 0.000 0.879 530 N CB -0.040 38.443 38.487 -0.006 0.000 0.983 530 N HN 0.551 nan 8.380 nan 0.000 0.471 531 N N 2.013 120.696 118.700 -0.028 0.000 2.315 531 N HA -0.092 4.608 4.740 -0.066 0.000 0.270 531 N C 1.219 176.693 175.510 -0.060 0.000 1.329 531 N CA 0.251 53.280 53.050 -0.035 0.000 0.860 531 N CB 0.718 39.174 38.487 -0.051 0.000 1.095 531 N HN 0.180 nan 8.380 nan 0.000 0.487 532 S N 3.524 119.189 115.700 -0.058 0.000 2.383 532 S HA -0.094 4.336 4.470 -0.066 0.000 0.227 532 S C 1.269 175.640 174.600 -0.382 0.000 1.026 532 S CA 0.600 58.676 58.200 -0.206 0.000 0.981 532 S CB -0.010 63.147 63.200 -0.072 0.000 0.818 532 S HN 0.601 nan 8.310 nan 0.000 0.472 533 E N 1.602 121.744 120.200 -0.097 0.000 2.031 533 E HA -0.022 4.289 4.350 -0.066 0.000 0.193 533 E C 2.173 178.780 176.600 0.011 0.000 0.994 533 E CA 1.214 57.631 56.400 0.029 0.000 0.800 533 E CB -0.502 29.274 29.700 0.128 0.000 0.752 533 E HN 0.597 nan 8.360 nan 0.000 0.447 534 I N 0.778 121.319 120.570 -0.048 0.000 2.127 534 I HA -0.290 3.840 4.170 -0.066 0.000 0.241 534 I C 2.886 178.954 176.117 -0.081 0.000 1.075 534 I CA 1.284 62.523 61.300 -0.102 0.000 1.334 534 I CB -0.255 37.656 38.000 -0.148 0.000 1.040 534 I HN 0.030 nan 8.210 nan 0.000 0.405 535 R N 0.551 121.017 120.500 -0.058 0.000 2.066 535 R HA -0.225 4.075 4.340 -0.066 0.000 0.232 535 R C 2.467 178.754 176.300 -0.021 0.000 1.131 535 R CA 1.608 57.719 56.100 0.018 0.000 0.955 535 R CB -0.466 29.828 30.300 -0.011 0.000 0.851 535 R HN 0.205 nan 8.270 nan 0.000 0.432 536 F N 1.702 121.466 119.950 -0.310 0.000 2.032 536 F HA -0.304 4.188 4.527 -0.058 0.000 0.297 536 F C 2.172 177.866 175.800 -0.177 0.000 1.125 536 F CA 2.117 59.911 58.000 -0.343 0.000 1.202 536 F CB -0.413 38.213 39.000 -0.623 0.000 0.958 536 F HN -0.045 nan 8.300 nan 0.000 0.491 537 R N -0.479 119.783 120.500 -0.397 0.000 2.096 537 R HA -0.226 4.074 4.340 -0.066 0.000 0.235 537 R C 2.412 178.540 176.300 -0.287 0.000 1.127 537 R CA 1.621 57.448 56.100 -0.454 0.000 0.968 537 R CB -1.076 29.097 30.300 -0.212 0.000 0.861 537 R HN 0.710 nan 8.270 nan 0.000 0.440 538 W N 1.464 122.562 121.300 -0.337 0.000 2.381 538 W HA -0.153 4.466 4.660 -0.068 0.000 0.301 538 W C 1.183 177.592 176.519 -0.183 0.000 1.205 538 W CA 1.041 58.234 57.345 -0.253 0.000 1.285 538 W CB -0.126 29.190 29.460 -0.240 0.000 1.133 538 W HN 0.066 nan 8.180 nan 0.000 0.521 539 L N 0.742 121.704 121.223 -0.435 0.000 2.109 539 L HA -0.145 4.155 4.340 -0.066 0.000 0.207 539 L C 2.892 179.487 176.870 -0.459 0.000 1.086 539 L CA 1.100 55.621 54.840 -0.531 0.000 0.760 539 L CB -0.892 40.975 42.059 -0.320 0.000 0.910 539 L HN -0.112 nan 8.230 nan 0.000 0.437 540 R N -0.050 120.178 120.500 -0.454 0.000 2.091 540 R HA -0.214 4.086 4.340 -0.066 0.000 0.238 540 R C 2.240 178.326 176.300 -0.356 0.000 1.136 540 R CA 1.477 57.329 56.100 -0.413 0.000 0.959 540 R CB -0.580 29.401 30.300 -0.533 0.000 0.856 540 R HN 0.212 nan 8.270 nan 0.000 0.437 541 L N 0.561 121.564 121.223 -0.366 0.000 2.056 541 L HA -0.151 4.149 4.340 -0.066 0.000 0.207 541 L C 2.184 178.851 176.870 -0.339 0.000 1.078 541 L CA 1.621 56.279 54.840 -0.304 0.000 0.749 541 L CB -0.477 41.449 42.059 -0.223 0.000 0.901 541 L HN 0.166 nan 8.230 nan 0.000 0.433 542 C N -0.267 118.737 119.300 -0.494 0.000 2.413 542 C HA -0.160 4.260 4.460 -0.066 0.000 0.276 542 C C 2.697 177.525 174.990 -0.271 0.000 1.248 542 C CA 0.649 59.436 59.018 -0.385 0.000 1.742 542 C CB -0.992 26.407 27.740 -0.568 0.000 2.017 542 C HN 0.557 nan 8.230 nan 0.000 0.481 543 I N 0.595 120.978 120.570 -0.312 0.000 2.286 543 I HA -0.140 3.990 4.170 -0.066 0.000 0.245 543 I C 2.538 178.394 176.117 -0.436 0.000 1.104 543 I CA 1.533 62.647 61.300 -0.310 0.000 1.397 543 I CB -1.552 36.338 38.000 -0.182 0.000 1.072 543 I HN 0.507 nan 8.210 nan 0.000 0.417 544 Q N 0.176 119.783 119.800 -0.321 0.000 2.291 544 Q HA -0.079 4.221 4.340 -0.066 0.000 0.205 544 Q C 1.738 177.555 176.000 -0.304 0.000 0.970 544 Q CA 1.201 56.833 55.803 -0.285 0.000 0.876 544 Q CB -0.019 28.590 28.738 -0.215 0.000 0.935 544 Q HN 0.359 nan 8.270 nan 0.000 0.455 545 S N 0.185 115.704 115.700 -0.302 0.000 2.577 545 S HA 0.092 4.522 4.470 -0.066 0.000 0.219 545 S C -0.253 174.181 174.600 -0.276 0.000 0.962 545 S CA -0.150 57.903 58.200 -0.245 0.000 0.921 545 S CB 0.334 63.422 63.200 -0.186 0.000 0.789 545 S HN 0.250 nan 8.310 nan 0.000 0.497 546 K N 0.261 120.355 120.400 -0.509 0.000 3.161 546 K HA -0.165 4.115 4.320 -0.066 0.000 0.270 546 K C -0.984 175.533 176.600 -0.138 0.000 1.115 546 K CA 0.464 56.313 56.287 -0.730 0.000 0.789 546 K CB -1.814 30.447 32.500 -0.397 0.000 1.256 546 K HN 0.496 nan 8.250 nan 0.000 0.492 547 W N 2.797 123.931 121.300 -0.276 0.000 2.367 547 W HA 0.210 4.830 4.660 -0.066 0.000 0.329 547 W C 1.023 177.574 176.519 0.054 0.000 1.066 547 W CA -0.885 56.409 57.345 -0.085 0.000 1.435 547 W CB 0.073 29.447 29.460 -0.143 0.000 1.296 547 W HN 0.162 nan 8.180 nan 0.000 0.401 548 E N 1.873 122.321 120.200 0.413 0.000 2.160 548 E HA -0.246 4.064 4.350 -0.066 0.000 0.195 548 E C 1.156 177.714 176.600 -0.070 0.000 0.991 548 E CA 1.673 58.205 56.400 0.220 0.000 0.810 548 E CB 0.324 30.142 29.700 0.196 0.000 0.742 548 E HN 0.377 nan 8.360 nan 0.000 0.466 549 D N 0.316 120.505 120.400 -0.351 0.000 2.178 549 D HA -0.133 4.467 4.640 -0.066 0.000 0.201 549 D C 1.657 177.613 176.300 -0.573 0.000 0.980 549 D CA 1.168 54.842 54.000 -0.544 0.000 0.842 549 D CB -0.182 40.079 40.800 -0.899 0.000 0.948 549 D HN 0.194 nan 8.370 nan 0.000 0.472 550 A N 0.069 122.496 122.820 -0.656 0.000 2.168 550 A HA -0.003 4.277 4.320 -0.066 0.000 0.215 550 A C 2.158 179.598 177.584 -0.241 0.000 1.152 550 A CA 0.215 51.977 52.037 -0.458 0.000 0.716 550 A CB -0.526 18.200 19.000 -0.457 0.000 0.794 550 A HN 0.183 nan 8.150 nan 0.000 0.465 551 I N 0.728 121.212 120.570 -0.144 0.000 2.179 551 I HA -0.156 3.975 4.170 -0.066 0.000 0.242 551 I C -0.264 175.789 176.117 -0.107 0.000 1.088 551 I CA 1.475 62.730 61.300 -0.074 0.000 1.357 551 I CB -1.019 36.962 38.000 -0.032 0.000 1.051 551 I HN 0.253 nan 8.210 nan 0.000 0.409 552 P HA -0.095 nan 4.420 nan 0.000 0.222 552 P C 1.936 179.170 177.300 -0.109 0.000 1.153 552 P CA 1.319 64.360 63.100 -0.098 0.000 0.798 552 P CB 0.020 31.671 31.700 -0.082 0.000 0.796 553 L N -0.328 120.815 121.223 -0.133 0.000 2.046 553 L HA -0.107 4.193 4.340 -0.066 0.000 0.208 553 L C 2.739 179.529 176.870 -0.134 0.000 1.077 553 L CA 1.749 56.515 54.840 -0.124 0.000 0.747 553 L CB -1.276 40.699 42.059 -0.140 0.000 0.896 553 L HN -0.044 nan 8.230 nan 0.000 0.432 554 A N -0.080 122.643 122.820 -0.161 0.000 1.968 554 A HA -0.067 4.214 4.320 -0.066 0.000 0.217 554 A C 2.268 179.722 177.584 -0.216 0.000 1.169 554 A CA 0.917 52.848 52.037 -0.176 0.000 0.638 554 A CB -0.473 18.420 19.000 -0.179 0.000 0.812 554 A HN 0.316 nan 8.150 nan 0.000 0.446 555 L N -0.546 120.555 121.223 -0.203 0.000 2.046 555 L HA -0.197 4.104 4.340 -0.066 0.000 0.208 555 L C 2.638 179.379 176.870 -0.214 0.000 1.077 555 L CA 1.975 56.669 54.840 -0.243 0.000 0.747 555 L CB -0.346 41.624 42.059 -0.148 0.000 0.896 555 L HN 0.473 nan 8.230 nan 0.000 0.432 556 K N 0.241 120.557 120.400 -0.140 0.000 2.025 556 K HA -0.224 4.057 4.320 -0.066 0.000 0.207 556 K C 2.242 178.784 176.600 -0.096 0.000 1.049 556 K CA 1.510 57.739 56.287 -0.097 0.000 0.933 556 K CB -0.079 32.382 32.500 -0.066 0.000 0.714 556 K HN 0.142 nan 8.250 nan 0.000 0.438 557 M N 0.179 119.719 119.600 -0.101 0.000 2.229 557 M HA -0.091 4.349 4.480 -0.066 0.000 0.264 557 M C 1.925 178.178 176.300 -0.078 0.000 1.063 557 M CA 1.587 56.843 55.300 -0.074 0.000 1.114 557 M CB -0.043 32.515 32.600 -0.069 0.000 1.387 557 M HN 0.273 nan 8.290 nan 0.000 0.420 558 A N -0.347 122.369 122.820 -0.173 0.000 2.015 558 A HA -0.140 4.140 4.320 -0.066 0.000 0.219 558 A C 2.044 179.572 177.584 -0.093 0.000 1.163 558 A CA 2.053 53.959 52.037 -0.219 0.000 0.646 558 A CB -0.940 17.638 19.000 -0.703 0.000 0.806 558 A HN 0.687 nan 8.150 nan 0.000 0.448 559 T N -4.285 110.187 114.554 -0.137 0.000 2.990 559 T HA 0.206 4.516 4.350 -0.066 0.000 0.250 559 T C 1.346 176.016 174.700 -0.050 0.000 1.041 559 T CA 0.662 62.685 62.100 -0.128 0.000 1.010 559 T CB 0.101 68.722 68.868 -0.412 0.000 1.003 559 T HN 0.487 nan 8.240 nan 0.000 0.499 560 E N 1.047 121.230 120.200 -0.027 0.000 2.299 560 E HA 0.044 4.354 4.350 -0.066 0.000 0.193 560 E C 0.589 177.211 176.600 0.036 0.000 0.998 560 E CA 0.496 56.904 56.400 0.013 0.000 0.851 560 E CB 0.202 29.905 29.700 0.004 0.000 0.795 560 E HN 0.743 nan 8.360 nan 0.000 0.492 561 Q N -1.848 117.978 119.800 0.043 0.000 2.496 561 Q HA 0.546 4.846 4.340 -0.066 0.000 0.286 561 Q C 0.274 176.312 176.000 0.063 0.000 1.103 561 Q CA -0.777 55.064 55.803 0.064 0.000 0.813 561 Q CB 1.216 30.008 28.738 0.090 0.000 1.444 561 Q HN -0.049 nan 8.270 nan 0.000 0.443 562 G N -0.312 108.514 108.800 0.043 0.000 3.839 562 G HA2 0.097 4.017 3.960 -0.066 0.000 0.286 562 G HA3 0.097 4.017 3.960 -0.066 0.000 0.286 562 G C -0.427 174.408 174.900 -0.108 0.000 1.005 562 G CA -0.561 44.544 45.100 0.008 0.000 0.824 562 G HN 0.427 nan 8.290 nan 0.000 0.489 563 R N 0.939 121.371 120.500 -0.114 0.000 2.446 563 R HA 0.173 4.473 4.340 -0.066 0.000 0.325 563 R C 1.433 177.537 176.300 -0.326 0.000 0.997 563 R CA -0.170 55.761 56.100 -0.280 0.000 1.010 563 R CB 0.166 30.276 30.300 -0.317 0.000 0.946 563 R HN 0.182 nan 8.270 nan 0.000 0.422 564 M N 3.510 122.864 119.600 -0.409 0.000 2.358 564 M HA -0.209 4.231 4.480 -0.066 0.000 0.264 564 M C 2.029 178.174 176.300 -0.259 0.000 1.064 564 M CA 1.556 56.675 55.300 -0.301 0.000 1.093 564 M CB -0.129 32.244 32.600 -0.378 0.000 1.401 564 M HN 0.596 nan 8.290 nan 0.000 0.440 565 K N 0.395 120.547 120.400 -0.412 0.000 2.113 565 K HA -0.191 4.090 4.320 -0.066 0.000 0.208 565 K C 1.230 177.495 176.600 -0.559 0.000 1.047 565 K CA 1.606 57.594 56.287 -0.498 0.000 0.928 565 K CB 0.095 32.133 32.500 -0.769 0.000 0.716 565 K HN 0.195 nan 8.250 nan 0.000 0.446 566 F N -0.246 119.397 119.950 -0.512 0.000 2.419 566 F HA 0.120 4.614 4.527 -0.055 0.000 0.283 566 F C 2.452 178.196 175.800 -0.093 0.000 1.044 566 F CA 0.526 58.160 58.000 -0.611 0.000 1.376 566 F CB -0.922 37.799 39.000 -0.466 0.000 1.131 566 F HN -0.111 nan 8.300 nan 0.000 0.585 567 T N 0.651 115.275 114.554 0.117 0.000 2.788 567 T HA -0.127 4.183 4.350 -0.066 0.000 0.268 567 T C 2.124 176.963 174.700 0.231 0.000 1.044 567 T CA 1.298 63.496 62.100 0.164 0.000 1.139 567 T CB -0.175 68.783 68.868 0.150 0.000 0.867 567 T HN 0.125 nan 8.240 nan 0.000 0.454 568 R N 0.659 121.234 120.500 0.126 0.000 2.066 568 R HA -0.028 4.272 4.340 -0.066 0.000 0.232 568 R C -0.546 175.841 176.300 0.145 0.000 1.131 568 R CA 1.318 57.488 56.100 0.116 0.000 0.955 568 R CB -1.119 29.196 30.300 0.025 0.000 0.851 568 R HN 0.358 nan 8.270 nan 0.000 0.432 569 P HA -0.052 nan 4.420 nan 0.000 0.220 569 P C 1.112 178.496 177.300 0.141 0.000 1.152 569 P CA 0.921 64.121 63.100 0.167 0.000 0.812 569 P CB 0.068 31.931 31.700 0.271 0.000 0.792 570 L N -2.184 119.151 121.223 0.186 0.000 2.017 570 L HA -0.183 4.117 4.340 -0.066 0.000 0.208 570 L C 2.333 179.185 176.870 -0.030 0.000 1.073 570 L CA 1.580 56.440 54.840 0.034 0.000 0.745 570 L CB -0.933 41.126 42.059 0.000 0.000 0.894 570 L HN -0.089 nan 8.230 nan 0.000 0.432 571 F N 0.425 120.385 119.950 0.015 0.000 2.095 571 F HA -0.246 4.239 4.527 -0.069 0.000 0.298 571 F C 2.653 178.438 175.800 -0.024 0.000 1.104 571 F CA 1.545 59.534 58.000 -0.019 0.000 1.232 571 F CB -0.386 38.585 39.000 -0.049 0.000 0.987 571 F HN -0.078 nan 8.300 nan 0.000 0.475 572 K N -0.071 120.432 120.400 0.172 0.000 2.103 572 K HA -0.198 4.082 4.320 -0.066 0.000 0.207 572 K C 1.674 178.313 176.600 0.066 0.000 1.048 572 K CA 1.735 58.074 56.287 0.086 0.000 0.930 572 K CB -0.294 32.232 32.500 0.043 0.000 0.716 572 K HN 0.188 nan 8.250 nan 0.000 0.444 573 D N 0.775 121.199 120.400 0.040 0.000 2.097 573 D HA -0.114 4.486 4.640 -0.066 0.000 0.197 573 D C 1.887 178.230 176.300 0.071 0.000 0.984 573 D CA 0.839 54.847 54.000 0.012 0.000 0.826 573 D CB -0.156 40.611 40.800 -0.055 0.000 0.973 573 D HN 0.103 nan 8.370 nan 0.000 0.460 574 L N 0.375 121.638 121.223 0.068 0.000 2.131 574 L HA -0.141 4.160 4.340 -0.066 0.000 0.210 574 L C 2.299 179.252 176.870 0.138 0.000 1.092 574 L CA 1.116 56.016 54.840 0.100 0.000 0.759 574 L CB -0.266 41.798 42.059 0.007 0.000 0.903 574 L HN -0.000 nan 8.230 nan 0.000 0.435 575 A N -0.596 122.307 122.820 0.138 0.000 2.021 575 A HA 0.090 4.370 4.320 -0.066 0.000 0.216 575 A C 2.422 180.182 177.584 0.293 0.000 1.163 575 A CA 1.090 53.239 52.037 0.187 0.000 0.676 575 A CB -0.376 18.698 19.000 0.123 0.000 0.818 575 A HN 0.347 nan 8.150 nan 0.000 0.453 576 A N -1.196 121.737 122.820 0.188 0.000 2.067 576 A HA 0.225 4.506 4.320 -0.066 0.000 0.217 576 A C 0.694 178.404 177.584 0.211 0.000 1.156 576 A CA 0.212 52.339 52.037 0.149 0.000 0.683 576 A CB -0.336 18.711 19.000 0.077 0.000 0.808 576 A HN 0.437 nan 8.150 nan 0.000 0.455 577 F N 2.475 122.447 119.950 0.038 0.000 2.444 577 F HA 0.276 4.763 4.527 -0.067 0.000 0.360 577 F C 1.017 176.849 175.800 0.054 0.000 1.106 577 F CA -1.707 56.307 58.000 0.023 0.000 1.170 577 F CB 0.612 39.613 39.000 0.001 0.000 1.113 577 F HN 0.357 nan 8.300 nan 0.000 0.521 578 D N 4.121 124.616 120.400 0.158 0.000 2.144 578 D HA -0.214 4.386 4.640 -0.066 0.000 0.199 578 D C 1.302 177.463 176.300 -0.232 0.000 0.984 578 D CA 1.434 55.413 54.000 -0.036 0.000 0.834 578 D CB -0.217 40.580 40.800 -0.005 0.000 0.955 578 D HN 0.444 nan 8.370 nan 0.000 0.465 579 K N 0.034 120.047 120.400 -0.645 0.000 2.283 579 K HA 0.004 4.284 4.320 -0.066 0.000 0.202 579 K C 1.868 178.161 176.600 -0.512 0.000 1.048 579 K CA 1.203 57.102 56.287 -0.646 0.000 0.948 579 K CB -0.022 31.935 32.500 -0.904 0.000 0.742 579 K HN 0.430 nan 8.250 nan 0.000 0.458 580 S N -0.940 114.441 115.700 -0.533 0.000 2.559 580 S HA 0.010 4.440 4.470 -0.066 0.000 0.226 580 S C 1.621 176.189 174.600 -0.053 0.000 1.000 580 S CA -0.393 57.677 58.200 -0.217 0.000 0.948 580 S CB -0.192 62.932 63.200 -0.127 0.000 0.870 580 S HN 0.281 nan 8.310 nan 0.000 0.497 581 H N 2.766 121.779 119.070 -0.095 0.000 2.265 581 H HA -0.153 4.363 4.556 -0.066 0.000 0.295 581 H C 0.948 176.282 175.328 0.010 0.000 1.084 581 H CA 2.489 58.529 56.048 -0.013 0.000 1.261 581 H CB -0.423 29.332 29.762 -0.011 0.000 1.360 581 H HN 0.334 nan 8.280 nan 0.000 0.487 582 D N 0.460 120.882 120.400 0.038 0.000 2.144 582 D HA -0.134 4.466 4.640 -0.066 0.000 0.199 582 D C 2.475 178.756 176.300 -0.032 0.000 0.984 582 D CA 0.842 54.842 54.000 -0.000 0.000 0.834 582 D CB -0.388 40.448 40.800 0.060 0.000 0.955 582 D HN 0.546 nan 8.370 nan 0.000 0.465 583 Q N 0.216 120.003 119.800 -0.022 0.000 2.050 583 Q HA -0.089 4.211 4.340 -0.066 0.000 0.202 583 Q C 2.252 178.275 176.000 0.038 0.000 0.980 583 Q CA 1.424 57.228 55.803 0.001 0.000 0.840 583 Q CB -0.125 28.602 28.738 -0.019 0.000 0.898 583 Q HN 0.242 nan 8.270 nan 0.000 0.424 584 A N 0.448 123.282 122.820 0.024 0.000 1.873 584 A HA -0.198 4.082 4.320 -0.066 0.000 0.218 584 A C 2.262 179.955 177.584 0.182 0.000 1.193 584 A CA 1.897 54.017 52.037 0.139 0.000 0.629 584 A CB -1.159 17.901 19.000 0.099 0.000 0.826 584 A HN 0.370 nan 8.150 nan 0.000 0.447 585 V N -0.603 119.306 119.914 -0.009 0.000 2.453 585 V HA -0.158 3.922 4.120 -0.066 0.000 0.247 585 V C 2.308 178.460 176.094 0.096 0.000 1.048 585 V CA 2.252 64.568 62.300 0.026 0.000 1.049 585 V CB -0.773 31.001 31.823 -0.082 0.000 0.672 585 V HN 0.550 nan 8.190 nan 0.000 0.457 586 R N 0.212 120.751 120.500 0.064 0.000 2.096 586 R HA -0.153 4.148 4.340 -0.066 0.000 0.240 586 R C 2.316 178.688 176.300 0.119 0.000 1.139 586 R CA 2.526 58.667 56.100 0.069 0.000 0.952 586 R CB -1.133 29.197 30.300 0.049 0.000 0.854 586 R HN 0.674 nan 8.270 nan 0.000 0.436 587 T N 0.181 114.852 114.554 0.196 0.000 2.737 587 T HA -0.183 4.127 4.350 -0.066 0.000 0.265 587 T C 1.524 176.445 174.700 0.369 0.000 1.038 587 T CA 1.518 63.804 62.100 0.310 0.000 1.144 587 T CB -0.563 68.499 68.868 0.323 0.000 0.866 587 T HN 0.386 nan 8.240 nan 0.000 0.434 588 Y N 2.036 122.430 120.300 0.157 0.000 2.165 588 Y HA -0.190 4.320 4.550 -0.068 0.000 0.286 588 Y C 2.480 178.376 175.900 -0.007 0.000 1.155 588 Y CA 1.370 59.420 58.100 -0.083 0.000 1.164 588 Y CB -0.500 37.729 38.460 -0.385 0.000 0.978 588 Y HN 0.233 nan 8.280 nan 0.000 0.513 589 Q N 0.027 119.731 119.800 -0.160 0.000 2.084 589 Q HA -0.200 4.100 4.340 -0.066 0.000 0.202 589 Q C 2.165 178.054 176.000 -0.185 0.000 0.978 589 Q CA 1.885 57.544 55.803 -0.241 0.000 0.844 589 Q CB -0.183 28.510 28.738 -0.075 0.000 0.898 589 Q HN 0.639 nan 8.270 nan 0.000 0.426 590 E N -0.295 119.861 120.200 -0.074 0.000 2.110 590 E HA -0.195 4.115 4.350 -0.066 0.000 0.193 590 E C 1.597 178.082 176.600 -0.191 0.000 0.988 590 E CA 1.127 57.461 56.400 -0.109 0.000 0.804 590 E CB -0.005 29.652 29.700 -0.072 0.000 0.745 590 E HN 0.494 nan 8.360 nan 0.000 0.458 591 H N -0.134 118.883 119.070 -0.087 0.000 2.547 591 H HA 0.082 4.598 4.556 -0.067 0.000 0.272 591 H C 1.783 177.038 175.328 -0.121 0.000 0.971 591 H CA 0.666 56.682 56.048 -0.052 0.000 1.245 591 H CB 0.242 30.033 29.762 0.048 0.000 1.440 591 H HN -0.034 nan 8.280 nan 0.000 0.540 592 K N 1.175 121.455 120.400 -0.199 0.000 2.049 592 K HA -0.307 3.973 4.320 -0.066 0.000 0.219 592 K C 2.222 178.743 176.600 -0.131 0.000 1.056 592 K CA 1.935 58.032 56.287 -0.315 0.000 0.946 592 K CB -0.315 31.831 32.500 -0.590 0.000 0.723 592 K HN 0.300 nan 8.250 nan 0.000 0.453 593 A N 0.038 122.789 122.820 -0.114 0.000 2.024 593 A HA -0.132 4.148 4.320 -0.066 0.000 0.220 593 A C 1.860 179.430 177.584 -0.024 0.000 1.164 593 A CA 2.086 54.084 52.037 -0.066 0.000 0.643 593 A CB -0.430 18.529 19.000 -0.068 0.000 0.806 593 A HN 0.554 nan 8.150 nan 0.000 0.451 594 S N -1.917 113.781 115.700 -0.003 0.000 2.568 594 S HA 0.511 4.941 4.470 -0.066 0.000 0.232 594 S C 0.420 175.068 174.600 0.080 0.000 0.975 594 S CA -0.433 57.791 58.200 0.040 0.000 0.949 594 S CB -0.242 62.982 63.200 0.040 0.000 0.829 594 S HN 0.427 nan 8.310 nan 0.000 0.479 595 M N 1.919 121.561 119.600 0.069 0.000 2.371 595 M HA 0.303 4.744 4.480 -0.066 0.000 0.301 595 M C 0.531 176.887 176.300 0.093 0.000 1.173 595 M CA -0.640 54.723 55.300 0.105 0.000 1.020 595 M CB 0.620 33.281 32.600 0.103 0.000 1.490 595 M HN 0.288 nan 8.290 nan 0.000 0.485 596 H N 3.061 122.152 119.070 0.034 0.000 2.964 596 H HA 0.054 4.573 4.556 -0.063 0.000 0.328 596 H C -1.867 173.445 175.328 -0.026 0.000 1.030 596 H CA -0.769 55.278 56.048 -0.002 0.000 1.445 596 H CB 0.975 30.740 29.762 0.004 0.000 1.449 596 H HN 0.340 nan 8.280 nan 0.000 0.581 597 P HA -0.183 nan 4.420 nan 0.000 0.216 597 P C 1.630 178.909 177.300 -0.035 0.000 1.150 597 P CA 0.877 63.875 63.100 -0.170 0.000 0.843 597 P CB 0.333 31.884 31.700 -0.250 0.000 0.787 598 V N -0.285 119.660 119.914 0.051 0.000 2.407 598 V HA -0.151 3.929 4.120 -0.066 0.000 0.245 598 V C 2.585 178.716 176.094 0.062 0.000 1.041 598 V CA 2.317 64.662 62.300 0.075 0.000 1.040 598 V CB -1.869 29.992 31.823 0.064 0.000 0.671 598 V HN 0.151 nan 8.190 nan 0.000 0.455 599 T N 0.857 115.474 114.554 0.105 0.000 2.652 599 T HA -0.228 4.082 4.350 -0.066 0.000 0.267 599 T C 2.105 176.830 174.700 0.041 0.000 1.039 599 T CA 1.886 63.990 62.100 0.007 0.000 1.153 599 T CB -0.506 68.365 68.868 0.005 0.000 0.863 599 T HN 0.560 nan 8.240 nan 0.000 0.428 600 A N 1.848 124.726 122.820 0.097 0.000 1.908 600 A HA -0.117 4.164 4.320 -0.066 0.000 0.218 600 A C 2.310 179.984 177.584 0.150 0.000 1.181 600 A CA 1.796 53.936 52.037 0.172 0.000 0.627 600 A CB -0.714 18.348 19.000 0.104 0.000 0.818 600 A HN 0.407 nan 8.150 nan 0.000 0.445 601 M N -0.403 119.241 119.600 0.074 0.000 2.086 601 M HA -0.087 4.353 4.480 -0.066 0.000 0.261 601 M C 2.024 178.325 176.300 0.001 0.000 1.067 601 M CA 1.792 57.122 55.300 0.050 0.000 1.116 601 M CB -0.716 31.911 32.600 0.045 0.000 1.348 601 M HN 0.434 nan 8.290 nan 0.000 0.407 602 L N -0.762 120.448 121.223 -0.021 0.000 2.109 602 L HA -0.146 4.154 4.340 -0.066 0.000 0.207 602 L C 2.379 179.177 176.870 -0.120 0.000 1.086 602 L CA 0.457 55.269 54.840 -0.047 0.000 0.760 602 L CB -0.620 41.419 42.059 -0.033 0.000 0.910 602 L HN 0.085 nan 8.230 nan 0.000 0.437 603 V N 0.201 119.999 119.914 -0.193 0.000 2.307 603 V HA -0.196 3.884 4.120 -0.066 0.000 0.245 603 V C 2.669 178.374 176.094 -0.648 0.000 1.045 603 V CA 1.990 64.046 62.300 -0.406 0.000 1.024 603 V CB -1.344 30.171 31.823 -0.512 0.000 0.651 603 V HN 0.554 nan 8.190 nan 0.000 0.449 604 G N -0.066 108.324 108.800 -0.683 0.000 2.513 604 G HA2 -0.305 3.615 3.960 -0.066 0.000 0.219 604 G HA3 -0.305 3.615 3.960 -0.066 0.000 0.219 604 G C 1.660 176.422 174.900 -0.231 0.000 1.160 604 G CA 1.163 45.962 45.100 -0.500 0.000 0.767 604 G HN 0.481 nan 8.290 nan 0.000 0.571 605 K N 0.107 120.429 120.400 -0.131 0.000 2.057 605 K HA -0.079 4.201 4.320 -0.066 0.000 0.207 605 K C 2.186 178.743 176.600 -0.072 0.000 1.049 605 K CA 1.280 57.529 56.287 -0.063 0.000 0.931 605 K CB -0.151 32.338 32.500 -0.019 0.000 0.714 605 K HN 0.154 nan 8.250 nan 0.000 0.440 606 D N 0.912 121.246 120.400 -0.110 0.000 2.117 606 D HA -0.121 4.479 4.640 -0.066 0.000 0.197 606 D C 1.679 177.926 176.300 -0.088 0.000 0.987 606 D CA 1.047 54.995 54.000 -0.086 0.000 0.829 606 D CB 0.010 40.752 40.800 -0.097 0.000 0.961 606 D HN 0.153 nan 8.370 nan 0.000 0.460 607 L N -0.246 120.877 121.223 -0.166 0.000 2.591 607 L HA 0.105 4.405 4.340 -0.066 0.000 0.228 607 L C 0.332 177.165 176.870 -0.061 0.000 1.133 607 L CA 0.056 54.817 54.840 -0.132 0.000 0.880 607 L CB -0.091 41.809 42.059 -0.265 0.000 1.033 607 L HN -0.039 nan 8.230 nan 0.000 0.450 608 K N 0.270 120.637 120.400 -0.056 0.000 3.096 608 K HA -0.152 4.128 4.320 -0.066 0.000 0.266 608 K C -0.584 176.018 176.600 0.003 0.000 1.043 608 K CA 0.000 56.281 56.287 -0.011 0.000 0.758 608 K CB -1.501 31.010 32.500 0.019 0.000 1.260 608 K HN 0.070 nan 8.250 nan 0.000 0.481 609 V N 1.339 121.242 119.914 -0.018 0.000 2.547 609 V HA 0.372 4.452 4.120 -0.066 0.000 0.299 609 V C 0.427 176.567 176.094 0.076 0.000 1.040 609 V CA -0.231 62.096 62.300 0.045 0.000 0.913 609 V CB 1.807 33.688 31.823 0.097 0.000 0.992 609 V HN 0.586 nan 8.190 nan 0.000 0.449 610 D N 0.000 120.447 120.400 0.078 0.000 6.856 610 D HA 0.000 4.600 4.640 -0.066 0.000 0.175 610 D CA 0.000 54.038 54.000 0.063 0.000 0.868 610 D CB 0.000 40.845 40.800 0.075 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683