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 3ful_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 KDLKV 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 0.000 176.338 176.300 0.064 0.000 2.045 5 D CA 0.000 54.028 54.000 0.047 0.000 0.868 5 D CB 0.000 40.814 40.800 0.023 0.000 0.688 6 T N -1.330 113.274 114.554 0.083 0.000 3.113 6 T HA 0.054 4.400 4.350 -0.006 0.000 0.256 6 T C 1.640 176.399 174.700 0.099 0.000 1.131 6 T CA 0.353 62.502 62.100 0.081 0.000 1.074 6 T CB -0.277 68.640 68.868 0.082 0.000 0.944 6 T HN 0.375 nan 8.240 nan 0.000 0.516 7 C N 1.698 121.079 119.300 0.135 0.000 2.697 7 C HA 0.516 4.972 4.460 -0.006 0.000 0.267 7 C C 1.300 176.353 174.990 0.106 0.000 1.278 7 C CA -0.604 58.511 59.018 0.161 0.000 1.708 7 C CB -1.303 26.584 27.740 0.244 0.000 1.860 7 C HN 0.631 nan 8.230 nan 0.000 0.589 8 S N -0.373 115.372 115.700 0.076 0.000 2.536 8 S HA 0.649 5.115 4.470 -0.006 0.000 0.298 8 S C 0.154 174.763 174.600 0.016 0.000 1.083 8 S CA -0.542 57.685 58.200 0.044 0.000 0.995 8 S CB 0.825 64.056 63.200 0.050 0.000 1.058 8 S HN 0.380 nan 8.310 nan 0.000 0.488 9 L N 2.511 123.734 121.223 -0.000 0.000 2.693 9 L HA 0.409 4.745 4.340 -0.006 0.000 0.235 9 L C 1.234 178.103 176.870 -0.002 0.000 1.127 9 L CA -0.151 54.684 54.840 -0.008 0.000 0.914 9 L CB -0.321 41.724 42.059 -0.023 0.000 1.193 9 L HN 0.707 nan 8.230 nan 0.000 0.502 10 A N 0.039 122.860 122.820 0.002 0.000 2.280 10 A HA 0.433 4.750 4.320 -0.006 0.000 0.268 10 A C 0.499 178.086 177.584 0.005 0.000 1.111 10 A CA -0.207 51.831 52.037 0.001 0.000 0.814 10 A CB 0.294 19.293 19.000 -0.001 0.000 1.093 10 A HN 0.167 nan 8.150 nan 0.000 0.498 11 S N 2.356 118.059 115.700 0.005 0.000 2.533 11 S HA 0.339 4.806 4.470 -0.006 0.000 0.282 11 S C -2.117 172.487 174.600 0.006 0.000 1.304 11 S CA -0.618 57.586 58.200 0.006 0.000 1.063 11 S CB 0.041 63.245 63.200 0.007 0.000 0.881 11 S HN 0.621 nan 8.310 nan 0.000 0.493 12 P HA 0.161 nan 4.420 nan 0.000 0.272 12 P C 0.472 177.774 177.300 0.004 0.000 1.240 12 P CA -0.357 62.746 63.100 0.006 0.000 0.791 12 P CB 0.532 32.237 31.700 0.008 0.000 0.978 13 A N 1.672 124.493 122.820 0.001 0.000 2.084 13 A HA -0.190 4.126 4.320 -0.006 0.000 0.221 13 A C 2.120 179.706 177.584 0.002 0.000 1.161 13 A CA 2.233 54.270 52.037 0.000 0.000 0.653 13 A CB -1.687 17.310 19.000 -0.004 0.000 0.802 13 A HN 0.669 nan 8.150 nan 0.000 0.457 14 S N -1.182 114.520 115.700 0.003 0.000 2.481 14 S HA 0.010 4.477 4.470 -0.006 0.000 0.231 14 S C 1.495 176.098 174.600 0.005 0.000 0.996 14 S CA 1.121 59.323 58.200 0.004 0.000 0.942 14 S CB -0.205 62.999 63.200 0.006 0.000 0.768 14 S HN 0.243 nan 8.310 nan 0.000 0.520 15 V N 0.923 120.841 119.914 0.006 0.000 2.581 15 V HA 0.235 4.351 4.120 -0.006 0.000 0.240 15 V C 1.170 177.268 176.094 0.006 0.000 1.054 15 V CA 0.804 63.108 62.300 0.006 0.000 1.076 15 V CB 0.088 31.916 31.823 0.007 0.000 0.748 15 V HN 0.919 nan 8.190 nan 0.000 0.474 16 C N -0.564 118.740 119.300 0.006 0.000 3.285 16 C HA 0.802 5.258 4.460 -0.006 0.000 0.325 16 C C -0.969 174.024 174.990 0.006 0.000 1.304 16 C CA -1.291 57.731 59.018 0.007 0.000 1.319 16 C CB 1.553 29.298 27.740 0.008 0.000 1.640 16 C HN 0.414 nan 8.230 nan 0.000 0.477 17 R N 0.824 121.328 120.500 0.008 0.000 2.574 17 R HA 0.667 5.003 4.340 -0.006 0.000 0.288 17 R C -0.863 175.446 176.300 0.014 0.000 1.004 17 R CA -0.264 55.841 56.100 0.009 0.000 0.895 17 R CB 2.403 32.708 30.300 0.007 0.000 1.191 17 R HN 0.866 nan 8.270 nan 0.000 0.444 18 T N 3.564 118.126 114.554 0.015 0.000 2.814 18 T HA 0.124 4.470 4.350 -0.006 0.000 0.297 18 T C 0.902 175.624 174.700 0.037 0.000 0.956 18 T CA -0.501 61.614 62.100 0.024 0.000 1.123 18 T CB 0.892 69.768 68.868 0.013 0.000 0.902 18 T HN 0.279 nan 8.240 nan 0.000 0.528 19 K N 1.528 121.964 120.400 0.061 0.000 2.308 19 K HA 0.149 4.465 4.320 -0.006 0.000 0.197 19 K C 0.454 177.146 176.600 0.153 0.000 1.049 19 K CA 0.555 56.890 56.287 0.080 0.000 0.991 19 K CB 0.171 32.711 32.500 0.068 0.000 0.836 19 K HN 0.756 nan 8.250 nan 0.000 0.500 20 H N -1.140 117.955 119.070 0.041 0.000 3.085 20 H HA 0.445 4.998 4.556 -0.006 0.000 0.356 20 H C -2.058 173.322 175.328 0.086 0.000 1.178 20 H CA -0.908 55.183 56.048 0.071 0.000 1.214 20 H CB 1.369 31.169 29.762 0.063 0.000 1.881 20 H HN -0.071 nan 8.280 nan 0.000 0.538 21 L N 4.453 125.497 121.223 -0.298 0.000 2.349 21 L HA 0.382 4.718 4.340 -0.006 0.000 0.278 21 L C -1.463 175.382 176.870 -0.040 0.000 0.996 21 L CA -0.336 54.444 54.840 -0.100 0.000 0.825 21 L CB 1.175 43.163 42.059 -0.119 0.000 1.243 21 L HN 0.794 nan 8.230 nan 0.000 0.412 22 H N 5.726 124.862 119.070 0.111 0.000 2.541 22 H HA 0.408 4.960 4.556 -0.006 0.000 0.316 22 H C -1.576 173.825 175.328 0.122 0.000 1.043 22 H CA -0.753 55.395 56.048 0.166 0.000 1.232 22 H CB 1.781 31.674 29.762 0.219 0.000 1.406 22 H HN 0.658 nan 8.280 nan 0.000 0.469 23 L N 6.471 127.510 121.223 -0.307 0.000 2.280 23 L HA 0.401 4.737 4.340 -0.006 0.000 0.287 23 L C -0.748 175.959 176.870 -0.272 0.000 1.023 23 L CA -0.381 54.357 54.840 -0.169 0.000 0.819 23 L CB 0.905 42.917 42.059 -0.078 0.000 1.212 23 L HN 0.585 nan 8.230 nan 0.000 0.420 24 R N 4.918 125.333 120.500 -0.142 0.000 2.393 24 R HA 0.738 5.074 4.340 -0.006 0.000 0.315 24 R C -1.030 175.246 176.300 -0.040 0.000 0.952 24 R CA -0.427 55.628 56.100 -0.075 0.000 0.842 24 R CB 1.169 31.465 30.300 -0.006 0.000 1.163 24 R HN 0.932 nan 8.270 nan 0.000 0.450 25 C N -0.804 118.483 119.300 -0.022 0.000 3.332 25 C HA 0.786 5.243 4.460 -0.006 0.000 0.329 25 C C -0.698 174.282 174.990 -0.016 0.000 1.434 25 C CA -0.936 58.051 59.018 -0.052 0.000 1.314 25 C CB 1.852 29.571 27.740 -0.035 0.000 1.664 25 C HN 0.669 nan 8.230 nan 0.000 0.457 26 S N -0.101 115.577 115.700 -0.036 0.000 2.538 26 S HA 0.752 5.218 4.470 -0.006 0.000 0.288 26 S C -1.228 173.373 174.600 0.002 0.000 1.108 26 S CA -0.335 57.864 58.200 -0.001 0.000 0.971 26 S CB 1.481 64.673 63.200 -0.012 0.000 1.041 26 S HN 1.117 nan 8.310 nan 0.000 0.483 27 V N 4.494 124.421 119.914 0.023 0.000 2.333 27 V HA 0.378 4.495 4.120 -0.006 0.000 0.274 27 V C -0.378 175.711 176.094 -0.009 0.000 1.028 27 V CA -0.666 61.629 62.300 -0.008 0.000 0.851 27 V CB 1.181 32.935 31.823 -0.114 0.000 1.000 27 V HN 0.853 nan 8.190 nan 0.000 0.456 28 D N 3.877 124.269 120.400 -0.014 0.000 2.454 28 D HA 0.313 4.950 4.640 -0.006 0.000 0.225 28 D C 0.459 176.674 176.300 -0.141 0.000 1.081 28 D CA -0.470 53.510 54.000 -0.034 0.000 0.864 28 D CB 0.959 41.727 40.800 -0.054 0.000 1.040 28 D HN 0.329 nan 8.370 nan 0.000 0.517 29 F N 1.390 121.391 119.950 0.085 0.000 2.502 29 F HA -0.042 4.482 4.527 -0.006 0.000 0.298 29 F C 2.382 178.122 175.800 -0.100 0.000 1.111 29 F CA 0.649 58.681 58.000 0.053 0.000 1.445 29 F CB 0.058 39.176 39.000 0.196 0.000 1.081 29 F HN 0.327 nan 8.300 nan 0.000 0.558 30 T N -0.554 114.040 114.554 0.067 0.000 2.857 30 T HA -0.077 4.269 4.350 -0.006 0.000 0.266 30 T C 1.846 176.484 174.700 -0.103 0.000 1.048 30 T CA 1.097 63.197 62.100 -0.000 0.000 1.139 30 T CB -0.084 68.791 68.868 0.012 0.000 0.874 30 T HN 0.253 nan 8.240 nan 0.000 0.455 31 R N 0.151 120.540 120.500 -0.185 0.000 2.365 31 R HA 0.289 4.625 4.340 -0.006 0.000 0.223 31 R C 0.015 176.056 176.300 -0.432 0.000 0.899 31 R CA -0.237 55.721 56.100 -0.236 0.000 1.059 31 R CB 0.446 30.644 30.300 -0.171 0.000 1.086 31 R HN 0.160 nan 8.270 nan 0.000 0.522 32 R N 1.346 121.397 120.500 -0.748 0.000 3.336 32 R HA -0.133 4.204 4.340 -0.006 0.000 0.260 32 R C -0.650 174.893 176.300 -1.262 0.000 1.032 32 R CA 1.227 56.297 56.100 -1.717 0.000 0.693 32 R CB -2.669 26.722 30.300 -1.515 0.000 1.134 32 R HN 0.404 nan 8.270 nan 0.000 0.433 33 T N -2.443 111.713 114.554 -0.663 0.000 2.916 33 T HA 0.722 5.069 4.350 -0.006 0.000 0.292 33 T C -0.053 174.700 174.700 0.089 0.000 1.055 33 T CA -1.126 60.889 62.100 -0.140 0.000 1.009 33 T CB 2.820 71.619 68.868 -0.114 0.000 1.118 33 T HN 0.263 nan 8.240 nan 0.000 0.497 34 L N 1.392 122.716 121.223 0.169 0.000 2.322 34 L HA 0.734 5.071 4.340 -0.006 0.000 0.281 34 L C -0.925 175.907 176.870 -0.063 0.000 1.014 34 L CA -0.249 54.648 54.840 0.094 0.000 0.815 34 L CB 1.703 43.856 42.059 0.156 0.000 1.247 34 L HN 0.928 nan 8.230 nan 0.000 0.421 35 T N 3.533 117.981 114.554 -0.177 0.000 2.876 35 T HA 0.888 5.234 4.350 -0.006 0.000 0.289 35 T C -0.101 174.327 174.700 -0.452 0.000 1.014 35 T CA -0.134 61.759 62.100 -0.345 0.000 0.986 35 T CB 1.811 70.560 68.868 -0.198 0.000 1.021 35 T HN 0.998 nan 8.240 nan 0.000 0.458 36 G N 1.385 109.747 108.800 -0.729 0.000 2.404 36 G HA2 0.503 4.459 3.960 -0.006 0.000 0.253 36 G HA3 0.503 4.459 3.960 -0.006 0.000 0.253 36 G C -1.035 173.583 174.900 -0.470 0.000 1.253 36 G CA -0.121 44.695 45.100 -0.473 0.000 0.917 36 G HN 0.997 nan 8.290 nan 0.000 0.480 37 T N -2.252 112.221 114.554 -0.135 0.000 2.893 37 T HA 0.838 5.184 4.350 -0.006 0.000 0.291 37 T C -0.411 174.431 174.700 0.238 0.000 1.028 37 T CA 0.222 62.371 62.100 0.083 0.000 0.995 37 T CB 1.943 70.848 68.868 0.060 0.000 1.051 37 T HN 2.097 nan 8.240 nan 0.000 0.470 38 A N 1.730 124.727 122.820 0.295 0.000 2.310 38 A HA 0.818 5.134 4.320 -0.006 0.000 0.304 38 A C 0.110 177.758 177.584 0.107 0.000 1.231 38 A CA -0.871 51.266 52.037 0.166 0.000 0.799 38 A CB 0.405 19.434 19.000 0.048 0.000 1.162 38 A HN 1.445 nan 8.150 nan 0.000 0.486 39 A N 3.676 126.571 122.820 0.124 0.000 2.280 39 A HA 0.625 4.941 4.320 -0.006 0.000 0.320 39 A C -0.345 177.310 177.584 0.119 0.000 1.366 39 A CA -0.311 51.803 52.037 0.128 0.000 0.938 39 A CB -0.204 18.901 19.000 0.174 0.000 1.157 39 A HN 0.812 nan 8.150 nan 0.000 0.536 40 L N 2.737 124.003 121.223 0.073 0.000 2.260 40 L HA 0.303 4.639 4.340 -0.006 0.000 0.289 40 L C 0.234 177.150 176.870 0.077 0.000 1.057 40 L CA -0.316 54.562 54.840 0.064 0.000 0.811 40 L CB 1.169 43.241 42.059 0.021 0.000 1.184 40 L HN 0.554 nan 8.230 nan 0.000 0.429 41 T N 3.394 118.013 114.554 0.110 0.000 2.738 41 T HA 0.309 4.655 4.350 -0.006 0.000 0.294 41 T C 0.165 174.902 174.700 0.062 0.000 0.914 41 T CA -0.236 61.916 62.100 0.087 0.000 1.052 41 T CB 0.607 69.538 68.868 0.106 0.000 0.897 41 T HN 0.216 nan 8.240 nan 0.000 0.522 42 V N 4.497 124.435 119.914 0.040 0.000 2.513 42 V HA 0.446 4.563 4.120 -0.006 0.000 0.299 42 V C 0.059 176.165 176.094 0.020 0.000 1.035 42 V CA -0.916 61.401 62.300 0.028 0.000 0.889 42 V CB 1.830 33.665 31.823 0.022 0.000 0.988 42 V HN 0.756 nan 8.190 nan 0.000 0.440 43 Q N 2.558 122.368 119.800 0.016 0.000 2.333 43 Q HA 0.439 4.775 4.340 -0.006 0.000 0.265 43 Q C -0.276 175.729 176.000 0.008 0.000 0.989 43 Q CA -0.259 55.550 55.803 0.011 0.000 0.842 43 Q CB 1.739 30.482 28.738 0.008 0.000 1.262 43 Q HN 0.820 nan 8.270 nan 0.000 0.451 44 S N 2.882 118.586 115.700 0.007 0.000 2.564 44 S HA 0.068 4.534 4.470 -0.006 0.000 0.278 44 S C 0.473 175.076 174.600 0.005 0.000 1.333 44 S CA -0.072 58.132 58.200 0.007 0.000 1.048 44 S CB 0.803 64.007 63.200 0.006 0.000 0.900 44 S HN 0.734 nan 8.310 nan 0.000 0.505 45 Q N 1.907 121.710 119.800 0.005 0.000 2.282 45 Q HA 0.224 4.561 4.340 -0.006 0.000 0.206 45 Q C -0.071 175.932 176.000 0.004 0.000 0.878 45 Q CA 0.263 56.068 55.803 0.004 0.000 0.944 45 Q CB 0.304 29.044 28.738 0.004 0.000 1.100 45 Q HN 0.931 nan 8.270 nan 0.000 0.509 46 E N -0.846 119.356 120.200 0.004 0.000 2.383 46 E HA 0.377 4.723 4.350 -0.006 0.000 0.275 46 E C -1.366 175.237 176.600 0.004 0.000 0.918 46 E CA -0.841 55.562 56.400 0.004 0.000 0.764 46 E CB 1.206 30.909 29.700 0.005 0.000 1.252 46 E HN -0.243 nan 8.360 nan 0.000 0.449 47 D N 0.790 121.192 120.400 0.004 0.000 2.449 47 D HA -0.011 4.625 4.640 -0.006 0.000 0.236 47 D C 0.156 176.458 176.300 0.005 0.000 1.149 47 D CA 1.161 55.163 54.000 0.004 0.000 0.878 47 D CB 0.291 41.092 40.800 0.003 0.000 1.198 47 D HN 0.662 nan 8.370 nan 0.000 0.446 48 N N 1.230 119.932 118.700 0.005 0.000 2.740 48 N HA -0.217 4.519 4.740 -0.006 0.000 0.248 48 N C -1.244 174.270 175.510 0.007 0.000 1.062 48 N CA 0.133 53.187 53.050 0.005 0.000 0.704 48 N CB -1.084 37.406 38.487 0.005 0.000 0.968 48 N HN 0.376 nan 8.380 nan 0.000 0.547 49 L N 0.620 121.848 121.223 0.007 0.000 2.361 49 L HA 0.266 4.602 4.340 -0.006 0.000 0.278 49 L C 1.332 178.208 176.870 0.010 0.000 1.113 49 L CA 0.598 55.443 54.840 0.009 0.000 0.849 49 L CB 0.545 42.610 42.059 0.009 0.000 1.155 49 L HN 0.249 nan 8.230 nan 0.000 0.452 50 R N 1.685 122.191 120.500 0.011 0.000 2.394 50 R HA 0.269 4.606 4.340 -0.006 0.000 0.220 50 R C -0.229 176.081 176.300 0.017 0.000 0.887 50 R CA 0.431 56.539 56.100 0.013 0.000 1.034 50 R CB 0.433 30.739 30.300 0.011 0.000 1.179 50 R HN 0.763 nan 8.270 nan 0.000 0.561 51 S N 0.136 115.846 115.700 0.017 0.000 2.627 51 S HA 0.659 5.126 4.470 -0.006 0.000 0.283 51 S C -1.046 173.566 174.600 0.019 0.000 1.127 51 S CA -0.916 57.297 58.200 0.021 0.000 0.863 51 S CB 2.408 65.620 63.200 0.020 0.000 1.121 51 S HN 0.139 nan 8.310 nan 0.000 0.479 52 L N 0.885 122.121 121.223 0.023 0.000 2.505 52 L HA 0.807 5.144 4.340 -0.006 0.000 0.259 52 L C -2.104 174.778 176.870 0.020 0.000 0.952 52 L CA -0.756 54.095 54.840 0.018 0.000 0.840 52 L CB 1.804 43.873 42.059 0.017 0.000 1.358 52 L HN 0.673 nan 8.230 nan 0.000 0.409 53 V N 5.062 124.984 119.914 0.013 0.000 2.495 53 V HA 0.547 4.664 4.120 -0.006 0.000 0.298 53 V C -0.189 175.907 176.094 0.002 0.000 1.031 53 V CA -0.463 61.844 62.300 0.012 0.000 0.871 53 V CB 1.683 33.512 31.823 0.011 0.000 0.988 53 V HN 0.605 nan 8.190 nan 0.000 0.432 54 L N 2.701 123.923 121.223 -0.003 0.000 2.333 54 L HA 0.614 4.950 4.340 -0.006 0.000 0.269 54 L C -0.469 176.387 176.870 -0.023 0.000 1.010 54 L CA -0.777 54.052 54.840 -0.018 0.000 0.818 54 L CB 2.282 44.321 42.059 -0.033 0.000 1.306 54 L HN 0.564 nan 8.230 nan 0.000 0.430 55 D N 1.287 121.668 120.400 -0.031 0.000 2.302 55 D HA 0.375 5.011 4.640 -0.006 0.000 0.248 55 D C -0.099 176.170 176.300 -0.051 0.000 1.094 55 D CA 0.307 54.288 54.000 -0.033 0.000 0.897 55 D CB 2.010 42.795 40.800 -0.025 0.000 1.200 55 D HN 0.599 nan 8.370 nan 0.000 0.429 56 T N -1.081 113.446 114.554 -0.044 0.000 2.883 56 T HA 0.572 4.918 4.350 -0.006 0.000 0.301 56 T C -0.853 173.829 174.700 -0.031 0.000 1.158 56 T CA -1.021 61.048 62.100 -0.052 0.000 1.007 56 T CB 2.656 71.496 68.868 -0.047 0.000 1.186 56 T HN 0.283 nan 8.240 nan 0.000 0.499 57 K N 1.004 121.392 120.400 -0.021 0.000 2.615 57 K HA 0.323 4.639 4.320 -0.006 0.000 0.249 57 K C -0.952 175.658 176.600 0.016 0.000 0.977 57 K CA -0.487 55.801 56.287 0.001 0.000 0.833 57 K CB 0.926 33.435 32.500 0.015 0.000 1.208 57 K HN 0.832 nan 8.250 nan 0.000 0.443 58 D N 2.555 122.968 120.400 0.021 0.000 2.751 58 D HA -0.222 4.414 4.640 -0.006 0.000 0.233 58 D C -0.412 175.911 176.300 0.039 0.000 1.149 58 D CA 1.075 55.093 54.000 0.030 0.000 0.682 58 D CB -0.560 40.261 40.800 0.035 0.000 1.068 58 D HN 0.427 nan 8.370 nan 0.000 0.429 59 L N -0.053 121.191 121.223 0.035 0.000 2.334 59 L HA 0.361 4.698 4.340 -0.006 0.000 0.275 59 L C 0.910 177.820 176.870 0.067 0.000 1.036 59 L CA -0.327 54.548 54.840 0.057 0.000 0.807 59 L CB 1.844 43.916 42.059 0.021 0.000 1.231 59 L HN -0.213 nan 8.230 nan 0.000 0.438 60 T N 3.619 118.229 114.554 0.092 0.000 2.772 60 T HA 0.444 4.790 4.350 -0.006 0.000 0.288 60 T C -0.073 174.683 174.700 0.093 0.000 0.994 60 T CA -0.386 61.761 62.100 0.079 0.000 0.951 60 T CB 0.601 69.503 68.868 0.057 0.000 0.933 60 T HN 0.146 nan 8.240 nan 0.000 0.447 61 I N 3.597 124.213 120.570 0.077 0.000 2.325 61 I HA 0.239 4.405 4.170 -0.006 0.000 0.291 61 I C 1.455 177.604 176.117 0.054 0.000 1.019 61 I CA -0.255 61.059 61.300 0.024 0.000 1.302 61 I CB 1.121 39.042 38.000 -0.132 0.000 1.401 61 I HN 0.797 nan 8.210 nan 0.000 0.485 62 E N 6.860 127.078 120.200 0.031 0.000 2.033 62 E HA -0.073 4.273 4.350 -0.006 0.000 0.189 62 E C 0.289 176.937 176.600 0.079 0.000 0.979 62 E CA 1.119 57.548 56.400 0.049 0.000 0.802 62 E CB 0.622 30.332 29.700 0.016 0.000 0.763 62 E HN 0.735 nan 8.360 nan 0.000 0.449 63 K N -2.046 118.360 120.400 0.009 0.000 2.614 63 K HA 0.453 4.770 4.320 -0.006 0.000 0.293 63 K C -1.561 174.982 176.600 -0.096 0.000 1.045 63 K CA -0.878 55.432 56.287 0.038 0.000 0.880 63 K CB 1.788 34.334 32.500 0.077 0.000 1.552 63 K HN -0.101 nan 8.250 nan 0.000 0.404 64 V N 1.012 120.913 119.914 -0.021 0.000 2.668 64 V HA 0.426 4.542 4.120 -0.006 0.000 0.304 64 V C -1.326 174.790 176.094 0.038 0.000 1.071 64 V CA -0.791 61.489 62.300 -0.033 0.000 0.894 64 V CB 1.846 33.627 31.823 -0.069 0.000 1.008 64 V HN 0.566 nan 8.190 nan 0.000 0.425 65 V N 6.296 126.228 119.914 0.029 0.000 2.531 65 V HA 0.608 4.724 4.120 -0.006 0.000 0.301 65 V C -0.532 175.583 176.094 0.035 0.000 1.034 65 V CA -0.373 61.950 62.300 0.037 0.000 0.865 65 V CB 1.960 33.804 31.823 0.035 0.000 0.995 65 V HN 0.726 nan 8.190 nan 0.000 0.424 66 I N 4.355 124.946 120.570 0.035 0.000 2.533 66 I HA 0.501 4.667 4.170 -0.006 0.000 0.290 66 I C 0.060 176.192 176.117 0.026 0.000 1.056 66 I CA -0.690 60.628 61.300 0.030 0.000 1.057 66 I CB 2.046 40.064 38.000 0.031 0.000 1.240 66 I HN 0.619 nan 8.210 nan 0.000 0.423 67 N N 4.554 123.267 118.700 0.022 0.000 2.735 67 N HA -0.190 4.546 4.740 -0.006 0.000 0.248 67 N C 0.870 176.391 175.510 0.017 0.000 1.083 67 N CA 1.365 54.426 53.050 0.017 0.000 0.703 67 N CB -0.993 37.503 38.487 0.015 0.000 1.005 67 N HN 1.205 nan 8.380 nan 0.000 0.550 68 G N -1.559 107.253 108.800 0.020 0.000 2.148 68 G HA2 -0.323 3.633 3.960 -0.006 0.000 0.254 68 G HA3 -0.323 3.633 3.960 -0.006 0.000 0.254 68 G C -0.243 174.670 174.900 0.022 0.000 0.981 68 G CA 0.809 45.920 45.100 0.019 0.000 0.670 68 G HN 0.510 nan 8.290 nan 0.000 0.528 69 Q N -0.069 119.746 119.800 0.026 0.000 2.397 69 Q HA 0.465 4.801 4.340 -0.006 0.000 0.275 69 Q C -0.321 175.702 176.000 0.039 0.000 1.090 69 Q CA -0.770 55.050 55.803 0.029 0.000 0.809 69 Q CB 1.433 30.186 28.738 0.025 0.000 1.362 69 Q HN 0.566 nan 8.270 nan 0.000 0.431 70 E N 1.074 121.300 120.200 0.044 0.000 2.376 70 E HA 0.277 4.623 4.350 -0.006 0.000 0.266 70 E C 0.049 176.691 176.600 0.071 0.000 1.009 70 E CA -0.199 56.240 56.400 0.064 0.000 0.902 70 E CB 0.907 30.649 29.700 0.070 0.000 0.972 70 E HN 0.397 nan 8.360 nan 0.000 0.439 71 V N -0.153 119.820 119.914 0.099 0.000 3.019 71 V HA 0.461 4.577 4.120 -0.006 0.000 0.317 71 V C -0.344 175.836 176.094 0.143 0.000 1.094 71 V CA -1.265 61.093 62.300 0.097 0.000 1.000 71 V CB 1.643 33.517 31.823 0.085 0.000 1.060 71 V HN 0.478 nan 8.190 nan 0.000 0.443 72 K N 1.961 122.414 120.400 0.089 0.000 2.298 72 K HA 0.513 4.829 4.320 -0.006 0.000 0.280 72 K C -1.060 175.616 176.600 0.128 0.000 1.032 72 K CA -0.019 56.294 56.287 0.043 0.000 0.958 72 K CB 0.682 33.172 32.500 -0.016 0.000 0.978 72 K HN 0.854 nan 8.250 nan 0.000 0.472 73 Y N -1.217 119.089 120.300 0.010 0.000 2.615 73 Y HA 0.755 5.301 4.550 -0.007 0.000 0.341 73 Y C -1.371 174.533 175.900 0.007 0.000 1.089 73 Y CA -1.421 56.684 58.100 0.009 0.000 1.049 73 Y CB 1.439 39.907 38.460 0.013 0.000 1.296 73 Y HN 0.526 nan 8.280 nan 0.000 0.470 74 A N 2.245 125.116 122.820 0.085 0.000 2.515 74 A HA 0.744 5.060 4.320 -0.006 0.000 0.298 74 A C -2.047 175.607 177.584 0.117 0.000 1.059 74 A CA -0.954 51.085 52.037 0.002 0.000 0.698 74 A CB 1.568 20.543 19.000 -0.041 0.000 1.289 74 A HN 0.834 nan 8.150 nan 0.000 0.404 75 L N 2.260 123.538 121.223 0.091 0.000 2.272 75 L HA 0.541 4.877 4.340 -0.006 0.000 0.289 75 L C 1.138 178.030 176.870 0.037 0.000 1.032 75 L CA -0.521 54.369 54.840 0.083 0.000 0.810 75 L CB 1.543 43.661 42.059 0.098 0.000 1.205 75 L HN 0.955 nan 8.230 nan 0.000 0.422 76 G N 2.119 110.934 108.800 0.026 0.000 2.653 76 G HA2 0.121 4.077 3.960 -0.006 0.000 0.265 76 G HA3 0.121 4.077 3.960 -0.006 0.000 0.265 76 G C -0.347 174.556 174.900 0.004 0.000 1.237 76 G CA -0.406 44.699 45.100 0.009 0.000 0.946 76 G HN 0.649 nan 8.290 nan 0.000 0.522 77 E N -0.779 119.419 120.200 -0.004 0.000 2.390 77 E HA 0.159 4.506 4.350 -0.006 0.000 0.261 77 E C 0.684 177.274 176.600 -0.016 0.000 1.076 77 E CA -0.462 55.934 56.400 -0.007 0.000 0.905 77 E CB 0.592 30.287 29.700 -0.009 0.000 0.984 77 E HN 0.382 nan 8.360 nan 0.000 0.427 78 R N 1.960 122.450 120.500 -0.016 0.000 2.623 78 R HA -0.054 4.282 4.340 -0.006 0.000 0.271 78 R C -0.256 176.015 176.300 -0.049 0.000 1.043 78 R CA 0.680 56.763 56.100 -0.029 0.000 1.083 78 R CB 0.395 30.684 30.300 -0.017 0.000 0.974 78 R HN 0.542 nan 8.270 nan 0.000 0.436 79 Q N 2.877 122.625 119.800 -0.085 0.000 2.769 79 Q HA 0.136 4.473 4.340 -0.006 0.000 0.375 79 Q C -0.156 175.718 176.000 -0.211 0.000 0.996 79 Q CA -0.272 55.452 55.803 -0.132 0.000 1.042 79 Q CB 1.182 29.831 28.738 -0.148 0.000 1.329 79 Q HN 0.945 nan 8.270 nan 0.000 0.427 80 S N 0.393 116.021 115.700 -0.120 0.000 4.059 80 S HA -0.356 4.110 4.470 -0.006 0.000 0.624 80 S C 0.952 175.495 174.600 -0.094 0.000 2.019 80 S CA 1.861 60.013 58.200 -0.079 0.000 4.197 80 S CB -1.184 61.985 63.200 -0.053 0.000 0.215 80 S HN 0.829 nan 8.310 nan 0.000 0.609 81 Y N 1.159 121.460 120.300 0.001 0.000 2.403 81 Y HA 0.236 4.780 4.550 -0.010 0.000 0.291 81 Y C 1.938 177.815 175.900 -0.037 0.000 1.143 81 Y CA 1.471 59.563 58.100 -0.013 0.000 1.257 81 Y CB -0.502 37.945 38.460 -0.022 0.000 0.984 81 Y HN 0.382 nan 8.280 nan 0.000 0.550 82 K N 0.938 121.010 120.400 -0.546 0.000 2.366 82 K HA 0.234 4.550 4.320 -0.006 0.000 0.198 82 K C 1.310 177.826 176.600 -0.140 0.000 1.044 82 K CA 0.542 56.652 56.287 -0.294 0.000 0.973 82 K CB -0.231 32.052 32.500 -0.362 0.000 0.767 82 K HN 0.624 nan 8.250 nan 0.000 0.475 83 G N 0.617 109.345 108.800 -0.120 0.000 2.527 83 G HA2 -0.225 3.732 3.960 -0.006 0.000 0.227 83 G HA3 -0.225 3.732 3.960 -0.006 0.000 0.227 83 G C -0.785 174.081 174.900 -0.057 0.000 1.291 83 G CA -0.442 44.623 45.100 -0.059 0.000 0.904 83 G HN 0.161 nan 8.290 nan 0.000 0.577 84 S N 2.854 118.535 115.700 -0.032 0.000 2.519 84 S HA 0.710 5.176 4.470 -0.006 0.000 0.309 84 S C -2.601 171.991 174.600 -0.013 0.000 1.100 84 S CA -0.707 57.480 58.200 -0.020 0.000 1.059 84 S CB 2.578 65.777 63.200 -0.003 0.000 1.008 84 S HN 0.753 nan 8.310 nan 0.000 0.478 85 P HA 0.189 nan 4.420 nan 0.000 0.275 85 P C -0.980 176.331 177.300 0.019 0.000 1.227 85 P CA -0.364 62.735 63.100 -0.002 0.000 0.781 85 P CB 0.506 32.203 31.700 -0.004 0.000 0.906 86 M N 2.574 122.187 119.600 0.022 0.000 2.072 86 M HA 0.240 4.716 4.480 -0.006 0.000 0.331 86 M C -0.194 176.140 176.300 0.057 0.000 1.004 86 M CA -0.513 54.819 55.300 0.053 0.000 0.952 86 M CB 0.826 33.442 32.600 0.026 0.000 1.511 86 M HN 0.328 nan 8.290 nan 0.000 0.422 87 E N 5.400 125.647 120.200 0.079 0.000 2.146 87 E HA 0.417 4.763 4.350 -0.006 0.000 0.282 87 E C -1.419 175.243 176.600 0.104 0.000 0.989 87 E CA -0.379 56.062 56.400 0.067 0.000 0.799 87 E CB 1.047 30.774 29.700 0.046 0.000 1.088 87 E HN 0.705 nan 8.360 nan 0.000 0.397 88 I N 3.127 123.748 120.570 0.084 0.000 2.377 88 I HA 0.172 4.338 4.170 -0.006 0.000 0.293 88 I C -0.231 175.928 176.117 0.071 0.000 0.987 88 I CA -0.645 60.717 61.300 0.103 0.000 1.185 88 I CB 2.013 40.056 38.000 0.071 0.000 1.341 88 I HN 0.402 nan 8.210 nan 0.000 0.455 89 S N 6.957 122.701 115.700 0.074 0.000 2.430 89 S HA 0.432 4.898 4.470 -0.006 0.000 0.289 89 S C -0.040 174.587 174.600 0.044 0.000 1.143 89 S CA -0.636 57.592 58.200 0.047 0.000 1.067 89 S CB 0.331 63.553 63.200 0.037 0.000 0.964 89 S HN 0.328 nan 8.310 nan 0.000 0.485 90 L N 5.728 126.971 121.223 0.034 0.000 2.455 90 L HA 0.167 4.503 4.340 -0.006 0.000 0.272 90 L C -0.830 176.055 176.870 0.025 0.000 1.174 90 L CA -1.398 53.459 54.840 0.029 0.000 0.869 90 L CB 0.271 42.343 42.059 0.023 0.000 1.130 90 L HN 0.456 nan 8.230 nan 0.000 0.474 91 P HA -0.020 nan 4.420 nan 0.000 0.221 91 P C 0.133 177.443 177.300 0.016 0.000 1.150 91 P CA 1.278 64.390 63.100 0.021 0.000 0.800 91 P CB 0.450 32.163 31.700 0.022 0.000 0.787 92 I N -1.068 119.511 120.570 0.015 0.000 2.607 92 I HA 0.427 4.593 4.170 -0.006 0.000 0.290 92 I C -0.128 175.996 176.117 0.011 0.000 1.129 92 I CA -1.620 59.687 61.300 0.012 0.000 1.042 92 I CB 2.148 40.154 38.000 0.010 0.000 1.242 92 I HN -0.214 nan 8.210 nan 0.000 0.421 93 A N 7.107 129.933 122.820 0.009 0.000 2.531 93 A HA 0.441 4.757 4.320 -0.006 0.000 0.236 93 A C -0.320 177.268 177.584 0.008 0.000 1.062 93 A CA 0.352 52.394 52.037 0.009 0.000 0.760 93 A CB 0.193 19.197 19.000 0.007 0.000 0.995 93 A HN 0.680 nan 8.150 nan 0.000 0.501 94 L N 2.116 123.344 121.223 0.008 0.000 2.331 94 L HA 0.454 4.790 4.340 -0.006 0.000 0.275 94 L C 0.736 177.609 176.870 0.005 0.000 1.022 94 L CA -0.590 54.254 54.840 0.006 0.000 0.812 94 L CB 1.994 44.058 42.059 0.008 0.000 1.257 94 L HN 0.916 nan 8.230 nan 0.000 0.435 95 S N 1.101 116.803 115.700 0.003 0.000 2.707 95 S HA 0.364 4.830 4.470 -0.006 0.000 0.276 95 S C -0.155 174.446 174.600 0.002 0.000 1.179 95 S CA -1.026 57.176 58.200 0.002 0.000 0.992 95 S CB 1.259 64.459 63.200 0.001 0.000 1.030 95 S HN 0.399 nan 8.310 nan 0.000 0.554 96 K N 1.703 122.104 120.400 0.001 0.000 2.504 96 K HA -0.042 4.274 4.320 -0.006 0.000 0.278 96 K C -0.006 176.594 176.600 -0.001 0.000 1.025 96 K CA 0.584 56.872 56.287 0.001 0.000 1.093 96 K CB -0.271 32.229 32.500 0.000 0.000 0.873 96 K HN 0.709 nan 8.250 nan 0.000 0.483 97 N N 0.922 119.621 118.700 -0.000 0.000 2.936 97 N HA -0.227 4.509 4.740 -0.006 0.000 0.236 97 N C 0.054 175.562 175.510 -0.002 0.000 0.930 97 N CA 0.930 53.979 53.050 -0.002 0.000 0.966 97 N CB -0.775 37.709 38.487 -0.005 0.000 1.090 97 N HN 0.717 nan 8.380 nan 0.000 0.592 98 Q N 0.857 120.656 119.800 -0.000 0.000 2.394 98 Q HA 0.218 4.554 4.340 -0.006 0.000 0.248 98 Q C -0.544 175.457 176.000 0.002 0.000 0.992 98 Q CA 0.369 56.172 55.803 0.000 0.000 0.888 98 Q CB 0.625 29.364 28.738 0.002 0.000 1.257 98 Q HN 0.170 nan 8.270 nan 0.000 0.462 99 E N 3.193 123.394 120.200 0.002 0.000 2.222 99 E HA 0.490 4.836 4.350 -0.006 0.000 0.267 99 E C -0.827 175.778 176.600 0.008 0.000 0.884 99 E CA -0.569 55.835 56.400 0.005 0.000 0.764 99 E CB 1.633 31.335 29.700 0.003 0.000 1.169 99 E HN 0.561 nan 8.360 nan 0.000 0.413 100 I N -1.848 118.730 120.570 0.014 0.000 2.934 100 I HA 0.606 4.772 4.170 -0.006 0.000 0.306 100 I C -0.791 175.341 176.117 0.024 0.000 1.110 100 I CA -1.348 59.962 61.300 0.016 0.000 1.019 100 I CB 1.784 39.794 38.000 0.017 0.000 1.227 100 I HN 0.128 nan 8.210 nan 0.000 0.434 101 V N 4.532 124.461 119.914 0.027 0.000 2.439 101 V HA 0.465 4.581 4.120 -0.006 0.000 0.282 101 V C -0.006 176.110 176.094 0.037 0.000 1.039 101 V CA -0.287 62.036 62.300 0.039 0.000 0.913 101 V CB 1.262 33.109 31.823 0.041 0.000 0.983 101 V HN 0.480 nan 8.190 nan 0.000 0.460 102 I N 3.900 124.494 120.570 0.040 0.000 2.389 102 I HA 0.421 4.588 4.170 -0.006 0.000 0.288 102 I C 0.043 176.184 176.117 0.039 0.000 0.999 102 I CA -0.242 61.077 61.300 0.033 0.000 1.129 102 I CB 1.708 39.721 38.000 0.022 0.000 1.288 102 I HN 0.609 nan 8.210 nan 0.000 0.444 103 E N 7.224 127.448 120.200 0.040 0.000 2.092 103 E HA 0.513 4.859 4.350 -0.006 0.000 0.271 103 E C -1.172 175.450 176.600 0.038 0.000 0.919 103 E CA -0.624 55.807 56.400 0.052 0.000 0.760 103 E CB 1.205 30.940 29.700 0.058 0.000 1.106 103 E HN 0.471 nan 8.360 nan 0.000 0.408 104 I N 2.886 123.489 120.570 0.056 0.000 2.382 104 I HA 0.176 4.343 4.170 -0.006 0.000 0.286 104 I C -0.186 176.023 176.117 0.154 0.000 1.002 104 I CA -0.458 60.869 61.300 0.045 0.000 1.135 104 I CB 1.961 39.957 38.000 -0.008 0.000 1.288 104 I HN 0.268 nan 8.210 nan 0.000 0.448 105 S N 6.882 122.629 115.700 0.078 0.000 2.430 105 S HA 0.638 5.104 4.470 -0.006 0.000 0.289 105 S C -0.517 174.134 174.600 0.083 0.000 1.143 105 S CA -0.466 57.761 58.200 0.045 0.000 1.067 105 S CB 0.132 63.327 63.200 -0.008 0.000 0.964 105 S HN 0.462 nan 8.310 nan 0.000 0.485 106 F N 0.459 120.381 119.950 -0.046 0.000 2.664 106 F HA 0.797 5.321 4.527 -0.006 0.000 0.317 106 F C -0.670 175.114 175.800 -0.026 0.000 1.108 106 F CA -1.216 56.757 58.000 -0.045 0.000 0.957 106 F CB 1.295 40.263 39.000 -0.053 0.000 1.365 106 F HN 0.386 nan 8.300 nan 0.000 0.475 107 E N 0.937 121.204 120.200 0.112 0.000 2.275 107 E HA 0.384 4.730 4.350 -0.006 0.000 0.270 107 E C -1.118 175.616 176.600 0.223 0.000 0.882 107 E CA -0.888 55.538 56.400 0.043 0.000 0.758 107 E CB 2.249 31.942 29.700 -0.011 0.000 1.195 107 E HN 0.920 nan 8.360 nan 0.000 0.419 108 T N 0.381 115.072 114.554 0.228 0.000 2.849 108 T HA 0.281 4.627 4.350 -0.006 0.000 0.284 108 T C 0.459 175.220 174.700 0.101 0.000 1.004 108 T CA -0.690 61.524 62.100 0.191 0.000 1.021 108 T CB 1.573 70.571 68.868 0.217 0.000 1.013 108 T HN 0.234 nan 8.240 nan 0.000 0.527 109 S N 0.948 116.698 115.700 0.082 0.000 2.585 109 S HA 0.411 4.877 4.470 -0.006 0.000 0.277 109 S C -1.742 172.880 174.600 0.036 0.000 1.241 109 S CA -1.810 56.412 58.200 0.036 0.000 1.041 109 S CB 0.594 63.813 63.200 0.032 0.000 0.987 109 S HN 0.593 nan 8.310 nan 0.000 0.512 110 P HA 0.092 nan 4.420 nan 0.000 0.228 110 P C 0.439 177.745 177.300 0.011 0.000 1.151 110 P CA 0.733 63.771 63.100 -0.103 0.000 0.770 110 P CB 0.154 31.735 31.700 -0.200 0.000 0.786 111 K N -0.709 119.700 120.400 0.015 0.000 2.404 111 K HA 0.136 4.452 4.320 -0.006 0.000 0.194 111 K C 0.335 176.952 176.600 0.028 0.000 1.023 111 K CA -0.072 56.225 56.287 0.017 0.000 1.094 111 K CB -0.517 31.988 32.500 0.008 0.000 0.841 111 K HN -0.112 nan 8.250 nan 0.000 0.523 112 S N 0.712 116.447 115.700 0.059 0.000 2.784 112 S HA -0.095 4.371 4.470 -0.006 0.000 0.322 112 S C 1.241 175.835 174.600 -0.011 0.000 1.234 112 S CA 0.344 58.574 58.200 0.050 0.000 1.064 112 S CB 0.171 63.422 63.200 0.086 0.000 0.787 112 S HN 0.479 nan 8.310 nan 0.000 0.506 113 S N 4.456 120.160 115.700 0.007 0.000 2.474 113 S HA -0.031 4.436 4.470 -0.006 0.000 0.235 113 S C 1.746 176.198 174.600 -0.248 0.000 0.997 113 S CA 0.564 58.719 58.200 -0.075 0.000 0.949 113 S CB -0.375 62.887 63.200 0.103 0.000 0.766 113 S HN 0.957 nan 8.310 nan 0.000 0.517 114 A N 0.691 123.455 122.820 -0.093 0.000 2.206 114 A HA 0.500 4.816 4.320 -0.006 0.000 0.211 114 A C 0.735 178.258 177.584 -0.101 0.000 1.158 114 A CA 0.172 52.162 52.037 -0.078 0.000 0.761 114 A CB -0.208 18.812 19.000 0.033 0.000 0.801 114 A HN 0.549 nan 8.150 nan 0.000 0.473 115 L N -0.710 120.395 121.223 -0.196 0.000 2.381 115 L HA 0.466 4.802 4.340 -0.006 0.000 0.268 115 L C -0.505 176.084 176.870 -0.468 0.000 0.997 115 L CA -0.519 54.138 54.840 -0.305 0.000 0.818 115 L CB 2.152 44.058 42.059 -0.255 0.000 1.310 115 L HN 0.273 nan 8.230 nan 0.000 0.416 116 Q N 1.727 121.122 119.800 -0.676 0.000 2.325 116 Q HA 0.357 4.693 4.340 -0.006 0.000 0.270 116 Q C -1.993 173.739 176.000 -0.447 0.000 1.020 116 Q CA -0.636 54.819 55.803 -0.580 0.000 0.785 116 Q CB 1.709 30.066 28.738 -0.636 0.000 1.259 116 Q HN 0.488 nan 8.270 nan 0.000 0.452 117 W N 5.201 126.416 121.300 -0.142 0.000 2.349 117 W HA 0.464 5.119 4.660 -0.007 0.000 0.309 117 W C -0.800 175.765 176.519 0.077 0.000 1.083 117 W CA -0.426 56.929 57.345 0.017 0.000 1.224 117 W CB 0.810 30.286 29.460 0.026 0.000 1.256 117 W HN 0.416 nan 8.180 nan 0.000 0.461 118 L N 4.077 125.519 121.223 0.364 0.000 2.322 118 L HA 0.488 4.825 4.340 -0.006 0.000 0.281 118 L C 0.906 177.931 176.870 0.258 0.000 1.014 118 L CA -1.034 53.965 54.840 0.265 0.000 0.815 118 L CB 1.228 43.425 42.059 0.231 0.000 1.247 118 L HN 0.431 nan 8.230 nan 0.000 0.421 119 T N -0.627 114.032 114.554 0.176 0.000 2.855 119 T HA 0.121 4.467 4.350 -0.006 0.000 0.314 119 T C -1.845 172.911 174.700 0.093 0.000 1.077 119 T CA -1.217 60.955 62.100 0.120 0.000 1.095 119 T CB 0.736 69.651 68.868 0.078 0.000 0.987 119 T HN 0.358 nan 8.240 nan 0.000 0.546 120 P HA -0.100 nan 4.420 nan 0.000 0.216 120 P C 1.422 178.746 177.300 0.040 0.000 1.150 120 P CA 0.950 64.073 63.100 0.040 0.000 0.843 120 P CB 0.049 31.746 31.700 -0.005 0.000 0.787 121 E N -0.649 119.572 120.200 0.035 0.000 2.418 121 E HA -0.111 4.235 4.350 -0.006 0.000 0.197 121 E C 1.648 178.274 176.600 0.042 0.000 1.026 121 E CA 0.758 57.177 56.400 0.032 0.000 0.862 121 E CB -0.403 29.311 29.700 0.024 0.000 0.799 121 E HN 0.508 nan 8.360 nan 0.000 0.518 122 Q N 0.406 120.240 119.800 0.056 0.000 2.403 122 Q HA 0.016 4.352 4.340 -0.006 0.000 0.203 122 Q C 0.726 176.748 176.000 0.036 0.000 0.932 122 Q CA 0.420 56.260 55.803 0.062 0.000 0.945 122 Q CB 0.417 29.208 28.738 0.088 0.000 1.045 122 Q HN 0.205 nan 8.270 nan 0.000 0.511 123 T N -4.435 110.138 114.554 0.032 0.000 2.937 123 T HA 0.315 4.661 4.350 -0.006 0.000 0.283 123 T C 1.058 175.768 174.700 0.017 0.000 1.012 123 T CA -0.654 61.447 62.100 0.002 0.000 0.997 123 T CB 1.696 70.596 68.868 0.054 0.000 1.136 123 T HN -0.208 nan 8.240 nan 0.000 0.551 124 S N 0.305 116.013 115.700 0.013 0.000 2.368 124 S HA 0.064 4.530 4.470 -0.006 0.000 0.224 124 S C 2.246 176.871 174.600 0.042 0.000 1.029 124 S CA 1.300 59.516 58.200 0.027 0.000 0.988 124 S CB -0.986 62.231 63.200 0.028 0.000 0.838 124 S HN 0.937 nan 8.310 nan 0.000 0.462 125 G N 0.506 109.344 108.800 0.064 0.000 2.421 125 G HA2 -0.074 3.883 3.960 -0.006 0.000 0.217 125 G HA3 -0.074 3.883 3.960 -0.006 0.000 0.217 125 G C 0.522 175.447 174.900 0.041 0.000 1.143 125 G CA 0.712 45.853 45.100 0.069 0.000 0.784 125 G HN 0.297 nan 8.290 nan 0.000 0.541 126 K N -1.057 119.364 120.400 0.035 0.000 3.547 126 K HA -0.195 4.121 4.320 -0.006 0.000 0.309 126 K C 1.037 177.620 176.600 -0.028 0.000 1.324 126 K CA 1.636 57.928 56.287 0.010 0.000 0.988 126 K CB -1.470 31.034 32.500 0.005 0.000 1.261 126 K HN 0.591 nan 8.250 nan 0.000 0.444 127 E N -0.667 119.501 120.200 -0.053 0.000 2.290 127 E HA 0.078 4.424 4.350 -0.006 0.000 0.199 127 E C 0.133 176.513 176.600 -0.368 0.000 0.912 127 E CA 0.107 56.374 56.400 -0.221 0.000 0.924 127 E CB 0.514 30.041 29.700 -0.288 0.000 0.901 127 E HN 0.326 nan 8.360 nan 0.000 0.487 128 H N -0.157 118.911 119.070 -0.004 0.000 2.679 128 H HA 0.323 4.875 4.556 -0.006 0.000 0.367 128 H C -2.323 172.969 175.328 -0.060 0.000 1.162 128 H CA -2.164 53.854 56.048 -0.050 0.000 1.181 128 H CB 1.628 31.366 29.762 -0.041 0.000 1.693 128 H HN 0.082 nan 8.280 nan 0.000 0.538 129 P HA 0.216 nan 4.420 nan 0.000 0.293 129 P C -1.162 176.119 177.300 -0.033 0.000 1.304 129 P CA -0.288 62.756 63.100 -0.093 0.000 0.767 129 P CB 1.668 33.187 31.700 -0.303 0.000 1.247 130 Y N -1.272 119.060 120.300 0.053 0.000 2.581 130 Y HA 0.583 5.129 4.550 -0.007 0.000 0.337 130 Y C -1.653 174.455 175.900 0.345 0.000 1.108 130 Y CA -1.004 57.212 58.100 0.192 0.000 1.033 130 Y CB 1.739 40.298 38.460 0.165 0.000 1.318 130 Y HN 0.317 nan 8.280 nan 0.000 0.459 131 L N 6.225 127.560 121.223 0.186 0.000 2.493 131 L HA 0.747 5.083 4.340 -0.006 0.000 0.265 131 L C -2.093 174.740 176.870 -0.062 0.000 0.954 131 L CA -0.639 54.133 54.840 -0.113 0.000 0.844 131 L CB 1.530 43.245 42.059 -0.572 0.000 1.302 131 L HN 0.473 nan 8.230 nan 0.000 0.405 132 F N 1.677 121.623 119.950 -0.006 0.000 2.588 132 F HA 0.935 5.458 4.527 -0.007 0.000 0.314 132 F C -0.375 175.465 175.800 0.066 0.000 1.069 132 F CA -0.568 57.480 58.000 0.080 0.000 0.931 132 F CB 1.380 40.550 39.000 0.282 0.000 1.260 132 F HN 0.607 nan 8.300 nan 0.000 0.465 133 S N 1.272 117.182 115.700 0.350 0.000 2.651 133 S HA 0.714 5.180 4.470 -0.006 0.000 0.291 133 S C -0.939 173.905 174.600 0.406 0.000 1.141 133 S CA -0.562 57.769 58.200 0.220 0.000 1.027 133 S CB 1.816 65.047 63.200 0.052 0.000 1.043 133 S HN 0.938 nan 8.310 nan 0.000 0.530 134 Q N 0.835 120.792 119.800 0.262 0.000 2.444 134 Q HA 0.454 4.790 4.340 -0.006 0.000 0.251 134 Q C -0.757 175.297 176.000 0.090 0.000 0.939 134 Q CA -0.519 55.407 55.803 0.205 0.000 0.740 134 Q CB 0.504 29.416 28.738 0.289 0.000 1.308 134 Q HN 0.756 nan 8.270 nan 0.000 0.461 135 C N 2.206 121.540 119.300 0.057 0.000 2.551 135 C HA 0.198 4.654 4.460 -0.006 0.000 0.277 135 C C 0.974 176.032 174.990 0.113 0.000 1.349 135 C CA 0.063 59.144 59.018 0.105 0.000 1.750 135 C CB -0.141 27.634 27.740 0.057 0.000 2.058 135 C HN 0.802 nan 8.230 nan 0.000 0.518 136 Q N 0.437 120.256 119.800 0.032 0.000 2.300 136 Q HA 0.294 4.631 4.340 -0.006 0.000 0.280 136 Q C 0.837 176.667 176.000 -0.284 0.000 1.033 136 Q CA 0.269 55.968 55.803 -0.175 0.000 0.903 136 Q CB 0.872 29.465 28.738 -0.241 0.000 1.195 136 Q HN 0.532 nan 8.270 nan 0.000 0.386 137 A N 4.750 127.219 122.820 -0.585 0.000 1.887 137 A HA 0.066 4.382 4.320 -0.006 0.000 0.210 137 A C 1.080 178.369 177.584 -0.491 0.000 1.221 137 A CA 0.666 52.069 52.037 -1.056 0.000 0.635 137 A CB 0.080 17.879 19.000 -2.001 0.000 0.881 137 A HN 0.810 nan 8.150 nan 0.000 0.456 138 I N -4.620 115.638 120.570 -0.520 0.000 3.064 138 I HA 0.455 4.621 4.170 -0.006 0.000 0.340 138 I C 0.169 176.037 176.117 -0.416 0.000 1.405 138 I CA -0.309 60.809 61.300 -0.304 0.000 0.912 138 I CB 0.209 38.089 38.000 -0.200 0.000 1.993 138 I HN 0.112 nan 8.210 nan 0.000 0.547 139 H N -0.227 118.822 119.070 -0.036 0.000 2.827 139 H HA 0.164 4.717 4.556 -0.006 0.000 0.269 139 H C 1.837 177.151 175.328 -0.023 0.000 1.031 139 H CA 0.098 56.132 56.048 -0.023 0.000 1.202 139 H CB 0.639 30.389 29.762 -0.021 0.000 1.511 139 H HN 0.686 nan 8.280 nan 0.000 0.517 140 C N 2.389 121.727 119.300 0.063 0.000 2.413 140 C HA -0.153 4.303 4.460 -0.006 0.000 0.277 140 C C 2.964 177.928 174.990 -0.043 0.000 1.265 140 C CA 1.331 60.349 59.018 0.001 0.000 1.752 140 C CB -0.724 27.010 27.740 -0.010 0.000 1.998 140 C HN 0.621 nan 8.230 nan 0.000 0.489 141 R N 0.930 121.410 120.500 -0.033 0.000 2.241 141 R HA 0.007 4.343 4.340 -0.006 0.000 0.224 141 R C 1.728 177.995 176.300 -0.056 0.000 1.101 141 R CA 1.599 57.663 56.100 -0.060 0.000 0.995 141 R CB -0.576 29.699 30.300 -0.042 0.000 0.870 141 R HN 0.499 nan 8.270 nan 0.000 0.463 142 A N 0.676 123.491 122.820 -0.008 0.000 2.275 142 A HA 0.258 4.574 4.320 -0.006 0.000 0.212 142 A C 1.706 179.291 177.584 0.001 0.000 1.201 142 A CA 0.024 52.072 52.037 0.018 0.000 0.843 142 A CB -0.012 19.036 19.000 0.080 0.000 0.873 142 A HN 0.308 nan 8.150 nan 0.000 0.492 143 I N -1.096 119.443 120.570 -0.052 0.000 3.300 143 I HA 0.208 4.374 4.170 -0.006 0.000 0.279 143 I C -0.115 175.843 176.117 -0.266 0.000 1.172 143 I CA 0.366 61.628 61.300 -0.063 0.000 1.431 143 I CB 0.533 38.493 38.000 -0.067 0.000 1.240 143 I HN 0.365 nan 8.210 nan 0.000 0.453 144 L N -2.480 118.499 121.223 -0.406 0.000 2.556 144 L HA 0.646 4.982 4.340 -0.006 0.000 0.257 144 L C -3.214 173.383 176.870 -0.456 0.000 0.955 144 L CA -1.909 52.473 54.840 -0.764 0.000 0.850 144 L CB 0.929 42.588 42.059 -0.666 0.000 1.398 144 L HN -0.283 nan 8.230 nan 0.000 0.412 145 P HA 0.389 nan 4.420 nan 0.000 0.271 145 P C -0.841 176.350 177.300 -0.180 0.000 1.220 145 P CA -0.266 62.689 63.100 -0.242 0.000 0.768 145 P CB 0.636 32.215 31.700 -0.201 0.000 0.848 146 C N 0.776 120.005 119.300 -0.120 0.000 3.321 146 C HA 0.405 4.861 4.460 -0.006 0.000 0.329 146 C C -0.557 174.405 174.990 -0.047 0.000 1.394 146 C CA -1.003 57.965 59.018 -0.084 0.000 1.291 146 C CB 0.809 28.494 27.740 -0.092 0.000 1.606 146 C HN 0.459 nan 8.230 nan 0.000 0.463 147 Q N 1.146 120.929 119.800 -0.029 0.000 2.431 147 Q HA 0.160 4.497 4.340 -0.006 0.000 0.234 147 Q C -0.497 175.506 176.000 0.005 0.000 1.203 147 Q CA 0.356 56.153 55.803 -0.010 0.000 0.902 147 Q CB 0.179 28.914 28.738 -0.005 0.000 1.455 147 Q HN 0.600 nan 8.270 nan 0.000 0.515 148 D N 2.521 122.930 120.400 0.015 0.000 2.688 148 D HA 0.042 4.678 4.640 -0.006 0.000 0.228 148 D C -0.891 175.472 176.300 0.104 0.000 1.116 148 D CA 0.268 54.298 54.000 0.051 0.000 1.023 148 D CB 0.129 40.949 40.800 0.033 0.000 1.100 148 D HN 0.329 nan 8.370 nan 0.000 0.487 149 T N 0.373 114.978 114.554 0.085 0.000 2.923 149 T HA 0.407 4.753 4.350 -0.006 0.000 0.311 149 T C -2.483 172.221 174.700 0.007 0.000 1.183 149 T CA -1.568 60.560 62.100 0.048 0.000 1.020 149 T CB 2.072 70.942 68.868 0.004 0.000 1.165 149 T HN -0.116 nan 8.240 nan 0.000 0.482 150 P HA 0.117 nan 4.420 nan 0.000 0.249 150 P C 1.053 178.292 177.300 -0.102 0.000 1.229 150 P CA 0.146 63.188 63.100 -0.097 0.000 0.788 150 P CB -0.100 31.360 31.700 -0.400 0.000 1.072 151 S N -1.700 113.940 115.700 -0.100 0.000 2.607 151 S HA 0.105 4.571 4.470 -0.006 0.000 0.224 151 S C 0.700 175.278 174.600 -0.036 0.000 0.969 151 S CA -0.056 58.101 58.200 -0.073 0.000 0.927 151 S CB -0.559 62.605 63.200 -0.061 0.000 0.772 151 S HN -0.072 nan 8.310 nan 0.000 0.533 152 V N 1.381 121.282 119.914 -0.021 0.000 2.638 152 V HA 0.480 4.596 4.120 -0.006 0.000 0.306 152 V C -0.718 175.377 176.094 0.002 0.000 1.052 152 V CA -0.811 61.486 62.300 -0.006 0.000 0.885 152 V CB 2.145 33.967 31.823 -0.002 0.000 0.999 152 V HN 0.209 nan 8.190 nan 0.000 0.424 153 K N 5.263 125.669 120.400 0.011 0.000 2.345 153 K HA 0.826 5.143 4.320 -0.006 0.000 0.255 153 K C -1.256 175.361 176.600 0.028 0.000 0.934 153 K CA -0.631 55.669 56.287 0.022 0.000 0.801 153 K CB 2.386 34.909 32.500 0.039 0.000 1.137 153 K HN 0.642 nan 8.250 nan 0.000 0.424 154 L N -1.087 120.158 121.223 0.036 0.000 2.376 154 L HA 0.658 4.994 4.340 -0.006 0.000 0.258 154 L C -0.012 176.900 176.870 0.069 0.000 1.013 154 L CA -0.911 53.957 54.840 0.047 0.000 0.822 154 L CB 1.806 43.882 42.059 0.028 0.000 1.388 154 L HN 0.574 nan 8.230 nan 0.000 0.413 155 T N -1.407 113.197 114.554 0.083 0.000 2.862 155 T HA 0.736 5.082 4.350 -0.006 0.000 0.276 155 T C -0.710 173.935 174.700 -0.092 0.000 0.974 155 T CA -0.382 61.764 62.100 0.077 0.000 0.966 155 T CB 1.300 70.283 68.868 0.192 0.000 1.072 155 T HN 0.948 nan 8.240 nan 0.000 0.538 156 Y N -1.775 118.372 120.300 -0.254 0.000 2.592 156 Y HA 0.665 5.211 4.550 -0.006 0.000 0.334 156 Y C -0.926 174.924 175.900 -0.085 0.000 1.136 156 Y CA -1.157 56.674 58.100 -0.449 0.000 1.042 156 Y CB 0.916 39.230 38.460 -0.243 0.000 1.325 156 Y HN 1.047 nan 8.280 nan 0.000 0.457 157 T N 0.322 115.025 114.554 0.248 0.000 2.916 157 T HA 1.007 5.353 4.350 -0.006 0.000 0.292 157 T C -0.734 174.198 174.700 0.387 0.000 1.055 157 T CA -0.353 61.974 62.100 0.379 0.000 1.009 157 T CB 1.795 70.981 68.868 0.529 0.000 1.118 157 T HN 1.712 nan 8.240 nan 0.000 0.497 158 A N 0.861 123.885 122.820 0.340 0.000 2.606 158 A HA 0.791 5.107 4.320 -0.006 0.000 0.293 158 A C -1.473 176.249 177.584 0.231 0.000 1.082 158 A CA -0.955 51.196 52.037 0.190 0.000 0.685 158 A CB 1.546 20.724 19.000 0.297 0.000 1.284 158 A HN 0.856 nan 8.150 nan 0.000 0.408 159 E N 0.222 120.492 120.200 0.117 0.000 2.260 159 E HA 0.533 4.879 4.350 -0.006 0.000 0.266 159 E C -1.719 174.964 176.600 0.138 0.000 0.887 159 E CA -0.602 55.874 56.400 0.128 0.000 0.777 159 E CB 2.483 32.239 29.700 0.094 0.000 1.205 159 E HN 0.362 nan 8.360 nan 0.000 0.414 160 V N 2.275 122.310 119.914 0.202 0.000 2.409 160 V HA 0.247 4.363 4.120 -0.006 0.000 0.290 160 V C -0.213 175.995 176.094 0.190 0.000 1.017 160 V CA -0.685 61.740 62.300 0.208 0.000 0.841 160 V CB 1.693 33.700 31.823 0.306 0.000 1.003 160 V HN 0.589 nan 8.190 nan 0.000 0.426 161 S N 4.364 120.133 115.700 0.116 0.000 2.513 161 S HA 0.734 5.200 4.470 -0.006 0.000 0.276 161 S C -0.397 174.285 174.600 0.138 0.000 1.254 161 S CA -0.338 57.923 58.200 0.101 0.000 1.053 161 S CB 0.872 64.104 63.200 0.053 0.000 0.958 161 S HN 1.112 nan 8.310 nan 0.000 0.491 162 V N 2.680 122.701 119.914 0.177 0.000 3.114 162 V HA 0.729 4.845 4.120 -0.006 0.000 0.308 162 V C -3.054 173.162 176.094 0.203 0.000 1.168 162 V CA -2.887 59.550 62.300 0.229 0.000 1.015 162 V CB 1.205 33.205 31.823 0.296 0.000 1.050 162 V HN 0.597 nan 8.190 nan 0.000 0.433 163 P HA 0.057 nan 4.420 nan 0.000 0.261 163 P C 0.650 178.029 177.300 0.131 0.000 1.173 163 P CA 0.340 63.539 63.100 0.165 0.000 0.760 163 P CB 0.316 32.120 31.700 0.174 0.000 0.783 164 K N 4.159 124.614 120.400 0.091 0.000 2.360 164 K HA -0.189 4.127 4.320 -0.006 0.000 0.201 164 K C 0.972 177.614 176.600 0.070 0.000 1.046 164 K CA 1.372 57.701 56.287 0.069 0.000 0.940 164 K CB -0.208 32.314 32.500 0.037 0.000 0.748 164 K HN 0.411 nan 8.250 nan 0.000 0.465 165 E N 1.323 121.550 120.200 0.044 0.000 2.442 165 E HA 0.045 4.392 4.350 -0.006 0.000 0.195 165 E C 0.643 177.181 176.600 -0.102 0.000 1.030 165 E CA 0.034 56.423 56.400 -0.019 0.000 0.869 165 E CB -0.102 29.588 29.700 -0.016 0.000 0.857 165 E HN 0.354 nan 8.360 nan 0.000 0.505 166 L N 1.014 122.216 121.223 -0.035 0.000 2.416 166 L HA 0.411 4.747 4.340 -0.006 0.000 0.262 166 L C 0.030 176.946 176.870 0.077 0.000 1.093 166 L CA -1.144 53.675 54.840 -0.036 0.000 0.801 166 L CB 1.575 43.626 42.059 -0.013 0.000 1.191 166 L HN -0.221 nan 8.230 nan 0.000 0.459 167 V N 0.531 120.410 119.914 -0.059 0.000 2.513 167 V HA 0.666 4.782 4.120 -0.006 0.000 0.299 167 V C 0.068 175.887 176.094 -0.459 0.000 1.035 167 V CA -0.599 61.529 62.300 -0.286 0.000 0.889 167 V CB 1.616 33.320 31.823 -0.199 0.000 0.988 167 V HN 0.856 nan 8.190 nan 0.000 0.440 168 A N 5.568 127.847 122.820 -0.902 0.000 2.317 168 A HA 0.949 5.266 4.320 -0.006 0.000 0.327 168 A C -0.952 176.394 177.584 -0.396 0.000 1.178 168 A CA -0.466 51.282 52.037 -0.483 0.000 0.817 168 A CB 0.794 19.730 19.000 -0.108 0.000 1.189 168 A HN 0.771 nan 8.150 nan 0.000 0.489 169 L N 1.695 122.693 121.223 -0.375 0.000 2.376 169 L HA 0.734 5.070 4.340 -0.006 0.000 0.258 169 L C -0.165 176.339 176.870 -0.610 0.000 1.013 169 L CA -0.414 54.164 54.840 -0.436 0.000 0.822 169 L CB 2.251 43.945 42.059 -0.609 0.000 1.388 169 L HN 0.771 nan 8.230 nan 0.000 0.413 170 M N -0.348 118.779 119.600 -0.789 0.000 2.948 170 M HA 0.338 4.814 4.480 -0.006 0.000 0.278 170 M C -0.400 175.753 176.300 -0.245 0.000 1.293 170 M CA -0.719 54.249 55.300 -0.553 0.000 0.777 170 M CB 2.280 34.396 32.600 -0.807 0.000 1.713 170 M HN 0.520 nan 8.290 nan 0.000 0.444 171 S N 0.237 115.885 115.700 -0.086 0.000 4.120 171 S HA 0.720 5.186 4.470 -0.006 0.000 0.196 171 S C -0.413 174.179 174.600 -0.012 0.000 1.447 171 S CA -0.411 57.769 58.200 -0.034 0.000 0.939 171 S CB -0.830 62.337 63.200 -0.055 0.000 1.496 171 S HN 0.739 nan 8.310 nan 0.000 0.460 172 A N 1.904 124.698 122.820 -0.043 0.000 2.540 172 A HA 0.627 4.943 4.320 -0.006 0.000 0.291 172 A C -1.183 176.447 177.584 0.075 0.000 1.083 172 A CA -0.916 51.088 52.037 -0.054 0.000 0.650 172 A CB 0.486 19.393 19.000 -0.156 0.000 1.292 172 A HN 0.370 nan 8.150 nan 0.000 0.435 173 I N 1.343 121.968 120.570 0.091 0.000 2.441 173 I HA 0.267 4.434 4.170 -0.006 0.000 0.287 173 I C 0.874 177.105 176.117 0.189 0.000 1.049 173 I CA -0.068 61.310 61.300 0.130 0.000 1.381 173 I CB 0.695 38.747 38.000 0.087 0.000 1.409 173 I HN 0.655 nan 8.210 nan 0.000 0.523 174 R N 3.665 124.280 120.500 0.190 0.000 2.489 174 R HA 0.021 4.357 4.340 -0.006 0.000 0.287 174 R C -0.170 176.143 176.300 0.021 0.000 1.053 174 R CA 0.174 56.345 56.100 0.117 0.000 1.036 174 R CB 0.400 30.776 30.300 0.127 0.000 0.966 174 R HN 0.469 nan 8.270 nan 0.000 0.432 175 D N 1.266 121.609 120.400 -0.094 0.000 2.720 175 D HA 0.222 4.858 4.640 -0.006 0.000 0.285 175 D C -0.337 175.915 176.300 -0.081 0.000 1.359 175 D CA 0.428 54.394 54.000 -0.057 0.000 0.818 175 D CB 0.532 41.314 40.800 -0.031 0.000 1.108 175 D HN 0.773 nan 8.370 nan 0.000 0.474 176 G N 0.878 109.628 108.800 -0.085 0.000 2.539 176 G HA2 0.072 4.028 3.960 -0.006 0.000 0.686 176 G HA3 0.072 4.028 3.960 -0.006 0.000 0.686 176 G C -0.912 173.918 174.900 -0.117 0.000 1.258 176 G CA -0.532 44.528 45.100 -0.067 0.000 0.846 176 G HN 0.271 nan 8.290 nan 0.000 0.647 177 E N -1.300 118.826 120.200 -0.123 0.000 2.312 177 E HA 0.854 5.201 4.350 -0.006 0.000 0.267 177 E C -0.213 176.266 176.600 -0.201 0.000 0.894 177 E CA -0.494 55.748 56.400 -0.263 0.000 0.773 177 E CB 2.584 32.039 29.700 -0.408 0.000 1.241 177 E HN 1.325 nan 8.360 nan 0.000 0.432 178 T N -1.473 112.944 114.554 -0.228 0.000 2.853 178 T HA 0.475 4.821 4.350 -0.006 0.000 0.311 178 T C -2.947 171.662 174.700 -0.151 0.000 1.307 178 T CA -2.163 59.849 62.100 -0.146 0.000 1.019 178 T CB 1.233 70.045 68.868 -0.093 0.000 1.264 178 T HN 0.216 nan 8.240 nan 0.000 0.497 179 P HA 0.181 nan 4.420 nan 0.000 0.267 179 P C -0.566 176.699 177.300 -0.059 0.000 1.200 179 P CA -0.096 62.959 63.100 -0.075 0.000 0.772 179 P CB 0.298 31.971 31.700 -0.045 0.000 0.855 180 D N 3.463 123.837 120.400 -0.043 0.000 2.371 180 D HA 0.039 4.675 4.640 -0.006 0.000 0.256 180 D C -1.502 174.789 176.300 -0.015 0.000 1.193 180 D CA -1.740 52.246 54.000 -0.024 0.000 0.881 180 D CB 0.568 41.364 40.800 -0.007 0.000 1.143 180 D HN 0.131 nan 8.370 nan 0.000 0.473 181 P HA -0.085 nan 4.420 nan 0.000 0.218 181 P C 0.288 177.586 177.300 -0.003 0.000 1.149 181 P CA 1.039 64.134 63.100 -0.008 0.000 0.817 181 P CB 0.255 31.951 31.700 -0.007 0.000 0.785 182 E N -1.013 119.186 120.200 -0.001 0.000 2.445 182 E HA 0.051 4.398 4.350 -0.006 0.000 0.189 182 E C -0.146 176.456 176.600 0.004 0.000 1.069 182 E CA 0.122 56.523 56.400 0.001 0.000 0.871 182 E CB -0.108 29.593 29.700 0.001 0.000 0.991 182 E HN 0.123 nan 8.360 nan 0.000 0.481 183 D N -0.305 120.097 120.400 0.005 0.000 2.342 183 D HA -0.010 4.626 4.640 -0.006 0.000 0.154 183 D C -2.431 173.876 176.300 0.011 0.000 1.159 183 D CA -0.937 53.069 54.000 0.010 0.000 1.206 183 D CB 0.976 41.786 40.800 0.016 0.000 1.872 183 D HN -0.183 nan 8.370 nan 0.000 0.617 184 P HA -0.033 nan 4.420 nan 0.000 0.237 184 P C 0.986 178.295 177.300 0.014 0.000 1.178 184 P CA 0.371 63.475 63.100 0.007 0.000 0.766 184 P CB 0.069 31.773 31.700 0.006 0.000 0.876 185 S N -1.429 114.285 115.700 0.024 0.000 2.603 185 S HA 0.106 4.572 4.470 -0.006 0.000 0.220 185 S C 0.847 175.474 174.600 0.044 0.000 0.967 185 S CA -0.326 57.895 58.200 0.036 0.000 0.920 185 S CB -0.414 62.812 63.200 0.043 0.000 0.773 185 S HN 0.106 nan 8.310 nan 0.000 0.529 186 R N 0.149 120.668 120.500 0.032 0.000 2.807 186 R HA 0.599 4.935 4.340 -0.006 0.000 0.276 186 R C -1.068 175.230 176.300 -0.004 0.000 0.979 186 R CA -0.799 55.323 56.100 0.037 0.000 0.928 186 R CB 1.573 31.901 30.300 0.046 0.000 1.191 186 R HN 0.092 nan 8.270 nan 0.000 0.471 187 K N 1.522 121.911 120.400 -0.019 0.000 2.259 187 K HA 0.506 4.822 4.320 -0.006 0.000 0.249 187 K C -0.620 175.890 176.600 -0.151 0.000 0.942 187 K CA -0.620 55.578 56.287 -0.148 0.000 0.816 187 K CB 1.843 34.168 32.500 -0.292 0.000 1.155 187 K HN 0.380 nan 8.250 nan 0.000 0.428 188 I N 3.179 123.621 120.570 -0.214 0.000 2.339 188 I HA 0.247 4.413 4.170 -0.006 0.000 0.290 188 I C -0.904 175.037 176.117 -0.292 0.000 0.994 188 I CA -0.775 60.439 61.300 -0.144 0.000 1.191 188 I CB 0.616 38.575 38.000 -0.068 0.000 1.343 188 I HN 0.420 nan 8.210 nan 0.000 0.458 189 Y N 5.495 125.755 120.300 -0.065 0.000 2.360 189 Y HA 0.467 5.013 4.550 -0.006 0.000 0.337 189 Y C 0.044 175.670 175.900 -0.457 0.000 1.039 189 Y CA -0.589 57.360 58.100 -0.251 0.000 1.109 189 Y CB 1.522 39.884 38.460 -0.164 0.000 1.201 189 Y HN 0.381 nan 8.280 nan 0.000 0.458 190 K N 3.151 123.228 120.400 -0.538 0.000 2.259 190 K HA 0.699 5.016 4.320 -0.006 0.000 0.249 190 K C -1.750 174.382 176.600 -0.781 0.000 0.942 190 K CA -0.784 55.239 56.287 -0.440 0.000 0.816 190 K CB 1.821 34.223 32.500 -0.163 0.000 1.155 190 K HN 0.395 nan 8.250 nan 0.000 0.428 191 F N 1.573 121.582 119.950 0.097 0.000 2.608 191 F HA 0.500 5.024 4.527 -0.006 0.000 0.309 191 F C -0.577 175.233 175.800 0.017 0.000 1.103 191 F CA -0.907 57.126 58.000 0.055 0.000 0.954 191 F CB 1.531 40.580 39.000 0.081 0.000 1.267 191 F HN 0.327 nan 8.300 nan 0.000 0.444 192 I N 2.606 123.251 120.570 0.125 0.000 2.499 192 I HA 0.501 4.667 4.170 -0.006 0.000 0.288 192 I C -1.581 174.443 176.117 -0.154 0.000 1.048 192 I CA -0.624 60.674 61.300 -0.002 0.000 1.062 192 I CB 1.630 39.652 38.000 0.036 0.000 1.238 192 I HN 0.611 nan 8.210 nan 0.000 0.426 193 Q N 7.289 126.860 119.800 -0.381 0.000 2.394 193 Q HA 0.274 4.610 4.340 -0.006 0.000 0.259 193 Q C 0.151 176.060 176.000 -0.153 0.000 1.021 193 Q CA -0.421 55.172 55.803 -0.350 0.000 0.805 193 Q CB 1.338 29.645 28.738 -0.719 0.000 1.226 193 Q HN 0.740 nan 8.270 nan 0.000 0.476 194 K N 2.127 122.479 120.400 -0.080 0.000 2.400 194 K HA 0.132 4.448 4.320 -0.006 0.000 0.194 194 K C -0.396 176.142 176.600 -0.102 0.000 1.033 194 K CA 0.194 56.444 56.287 -0.062 0.000 1.021 194 K CB 0.519 32.978 32.500 -0.069 0.000 0.808 194 K HN 0.327 nan 8.250 nan 0.000 0.505 195 V N 3.909 123.756 119.914 -0.112 0.000 2.370 195 V HA 0.257 4.373 4.120 -0.006 0.000 0.279 195 V C -2.439 173.640 176.094 -0.025 0.000 1.029 195 V CA -2.354 59.840 62.300 -0.177 0.000 0.870 195 V CB 1.186 32.739 31.823 -0.449 0.000 0.984 195 V HN 0.123 nan 8.190 nan 0.000 0.451 196 P HA 0.260 nan 4.420 nan 0.000 0.264 196 P C -0.545 176.828 177.300 0.123 0.000 1.193 196 P CA 0.323 63.449 63.100 0.044 0.000 0.763 196 P CB 0.296 32.002 31.700 0.010 0.000 0.810 197 I N 0.709 121.346 120.570 0.112 0.000 2.865 197 I HA 0.696 4.862 4.170 -0.006 0.000 0.302 197 I C -2.790 173.326 176.117 -0.003 0.000 1.140 197 I CA -3.481 57.873 61.300 0.091 0.000 1.021 197 I CB 2.731 40.792 38.000 0.101 0.000 1.233 197 I HN 0.067 nan 8.210 nan 0.000 0.427 198 P HA 0.044 nan 4.420 nan 0.000 0.272 198 P C 0.797 177.995 177.300 -0.171 0.000 1.223 198 P CA -0.277 62.759 63.100 -0.106 0.000 0.784 198 P CB 1.125 32.760 31.700 -0.108 0.000 0.923 199 C N 0.874 120.141 119.300 -0.055 0.000 2.472 199 C HA -0.054 4.402 4.460 -0.006 0.000 0.278 199 C C 2.506 177.474 174.990 -0.036 0.000 1.447 199 C CA 0.078 59.056 59.018 -0.067 0.000 1.773 199 C CB -2.633 25.082 27.740 -0.040 0.000 1.793 199 C HN 0.628 nan 8.230 nan 0.000 0.544 200 Y N 0.531 120.858 120.300 0.045 0.000 2.574 200 Y HA 0.257 4.804 4.550 -0.005 0.000 0.294 200 Y C 1.798 177.689 175.900 -0.015 0.000 1.142 200 Y CA 0.501 58.637 58.100 0.061 0.000 1.314 200 Y CB -0.824 37.776 38.460 0.233 0.000 0.991 200 Y HN 0.272 nan 8.280 nan 0.000 0.555 201 L N 0.899 121.854 121.223 -0.447 0.000 2.592 201 L HA 0.208 4.545 4.340 -0.006 0.000 0.227 201 L C 0.393 177.133 176.870 -0.216 0.000 1.127 201 L CA -0.097 54.508 54.840 -0.392 0.000 0.884 201 L CB -0.020 41.745 42.059 -0.490 0.000 1.065 201 L HN 0.188 nan 8.230 nan 0.000 0.457 202 I N 0.758 121.211 120.570 -0.195 0.000 2.529 202 I HA 0.249 4.415 4.170 -0.006 0.000 0.284 202 I C 0.355 176.343 176.117 -0.214 0.000 1.082 202 I CA 0.037 61.189 61.300 -0.246 0.000 1.406 202 I CB 0.990 38.766 38.000 -0.374 0.000 1.405 202 I HN 0.011 nan 8.210 nan 0.000 0.548 203 A N 6.812 129.510 122.820 -0.203 0.000 2.572 203 A HA 0.867 5.184 4.320 -0.006 0.000 0.295 203 A C -1.640 175.872 177.584 -0.119 0.000 1.072 203 A CA -0.467 51.462 52.037 -0.180 0.000 0.691 203 A CB 1.992 20.784 19.000 -0.347 0.000 1.291 203 A HN 0.554 nan 8.150 nan 0.000 0.404 204 L N 1.145 122.355 121.223 -0.022 0.000 2.466 204 L HA 0.878 5.214 4.340 -0.006 0.000 0.258 204 L C -1.660 175.217 176.870 0.011 0.000 0.973 204 L CA -0.559 54.233 54.840 -0.080 0.000 0.826 204 L CB 2.071 44.043 42.059 -0.145 0.000 1.372 204 L HN 1.195 nan 8.230 nan 0.000 0.409 205 V N 4.779 124.618 119.914 -0.126 0.000 2.888 205 V HA 0.846 4.963 4.120 -0.006 0.000 0.309 205 V C -1.684 174.232 176.094 -0.295 0.000 1.114 205 V CA -0.326 61.855 62.300 -0.198 0.000 0.940 205 V CB 2.475 34.113 31.823 -0.309 0.000 1.021 205 V HN 0.621 nan 8.190 nan 0.000 0.426 206 V N 5.670 125.395 119.914 -0.316 0.000 2.577 206 V HA 1.035 5.152 4.120 -0.006 0.000 0.303 206 V C 0.388 176.284 176.094 -0.329 0.000 1.042 206 V CA 0.441 62.615 62.300 -0.209 0.000 0.872 206 V CB 1.101 32.955 31.823 0.052 0.000 0.998 206 V HN 1.354 nan 8.190 nan 0.000 0.423 207 G N 2.638 111.243 108.800 -0.326 0.000 2.441 207 G HA2 0.613 4.569 3.960 -0.006 0.000 0.294 207 G HA3 0.613 4.569 3.960 -0.006 0.000 0.294 207 G C -1.011 173.808 174.900 -0.135 0.000 1.393 207 G CA -0.122 44.794 45.100 -0.307 0.000 0.796 207 G HN 1.057 nan 8.290 nan 0.000 0.494 208 A N 0.441 123.247 122.820 -0.023 0.000 2.805 208 A HA 0.636 4.952 4.320 -0.006 0.000 0.301 208 A C 0.069 177.696 177.584 0.072 0.000 1.557 208 A CA 0.066 52.087 52.037 -0.026 0.000 1.254 208 A CB -0.901 18.095 19.000 -0.007 0.000 1.114 208 A HN 0.536 nan 8.150 nan 0.000 0.553 209 L N 1.627 122.895 121.223 0.075 0.000 2.331 209 L HA 0.556 4.892 4.340 -0.006 0.000 0.275 209 L C 0.280 177.290 176.870 0.233 0.000 1.022 209 L CA -0.398 54.550 54.840 0.179 0.000 0.812 209 L CB 1.864 44.035 42.059 0.186 0.000 1.257 209 L HN 0.633 nan 8.230 nan 0.000 0.435 210 E N 0.691 121.014 120.200 0.205 0.000 2.359 210 E HA 0.601 4.947 4.350 -0.006 0.000 0.266 210 E C -1.263 175.273 176.600 -0.107 0.000 0.920 210 E CA -0.685 55.762 56.400 0.077 0.000 0.788 210 E CB 2.585 32.302 29.700 0.028 0.000 1.279 210 E HN 0.596 nan 8.360 nan 0.000 0.438 211 S N 0.965 116.429 115.700 -0.394 0.000 2.549 211 S HA 0.708 5.175 4.470 -0.006 0.000 0.280 211 S C -0.823 173.523 174.600 -0.423 0.000 1.109 211 S CA -0.979 56.757 58.200 -0.775 0.000 0.905 211 S CB 2.272 64.466 63.200 -1.677 0.000 1.081 211 S HN 0.568 nan 8.310 nan 0.000 0.477 212 R N 1.279 121.572 120.500 -0.346 0.000 2.574 212 R HA 0.404 4.740 4.340 -0.006 0.000 0.288 212 R C -1.126 175.080 176.300 -0.157 0.000 1.004 212 R CA -0.442 55.546 56.100 -0.186 0.000 0.895 212 R CB 1.775 32.018 30.300 -0.095 0.000 1.191 212 R HN 0.868 nan 8.270 nan 0.000 0.444 213 Q N 4.375 124.112 119.800 -0.106 0.000 2.314 213 Q HA 0.213 4.549 4.340 -0.006 0.000 0.258 213 Q C 0.524 176.517 176.000 -0.012 0.000 0.954 213 Q CA -0.040 55.728 55.803 -0.058 0.000 0.890 213 Q CB 0.914 29.633 28.738 -0.033 0.000 1.210 213 Q HN 0.796 nan 8.270 nan 0.000 0.410 214 I N -0.242 120.338 120.570 0.016 0.000 4.439 214 I HA 0.557 4.723 4.170 -0.006 0.000 0.331 214 I C 0.334 176.480 176.117 0.049 0.000 1.345 214 I CA -0.238 61.086 61.300 0.041 0.000 1.193 214 I CB 1.075 39.117 38.000 0.070 0.000 1.221 214 I HN 0.520 nan 8.210 nan 0.000 0.429 215 G N 1.445 110.275 108.800 0.051 0.000 2.600 215 G HA2 0.410 4.366 3.960 -0.006 0.000 0.293 215 G HA3 0.410 4.366 3.960 -0.006 0.000 0.293 215 G C -2.612 172.320 174.900 0.052 0.000 1.408 215 G CA -0.483 44.647 45.100 0.049 0.000 0.782 215 G HN -0.224 nan 8.290 nan 0.000 0.482 216 P HA -0.093 nan 4.420 nan 0.000 0.222 216 P C 0.731 178.075 177.300 0.075 0.000 1.142 216 P CA 1.031 64.164 63.100 0.056 0.000 0.788 216 P CB 0.151 31.882 31.700 0.052 0.000 0.767 217 R N -2.712 117.841 120.500 0.089 0.000 2.559 217 R HA 0.370 4.706 4.340 -0.006 0.000 0.448 217 R C -0.829 175.559 176.300 0.146 0.000 0.953 217 R CA -0.380 55.794 56.100 0.123 0.000 1.086 217 R CB -0.264 30.120 30.300 0.141 0.000 1.491 217 R HN -0.224 nan 8.270 nan 0.000 0.597 218 T N 1.557 116.184 114.554 0.121 0.000 3.011 218 T HA 0.432 4.778 4.350 -0.006 0.000 0.303 218 T C -1.422 173.323 174.700 0.075 0.000 0.997 218 T CA -0.527 61.654 62.100 0.135 0.000 1.007 218 T CB 1.879 70.850 68.868 0.172 0.000 1.017 218 T HN -0.018 nan 8.240 nan 0.000 0.443 219 L N 3.562 124.818 121.223 0.054 0.000 2.334 219 L HA 0.674 5.010 4.340 -0.006 0.000 0.276 219 L C -0.035 176.785 176.870 -0.083 0.000 1.014 219 L CA -0.892 53.892 54.840 -0.095 0.000 0.815 219 L CB 1.842 43.757 42.059 -0.241 0.000 1.268 219 L HN 0.565 nan 8.230 nan 0.000 0.428 220 V N -0.824 119.017 119.914 -0.122 0.000 2.465 220 V HA 0.525 4.641 4.120 -0.006 0.000 0.279 220 V C -1.049 174.936 176.094 -0.182 0.000 1.045 220 V CA -0.772 61.512 62.300 -0.026 0.000 0.938 220 V CB 0.670 32.548 31.823 0.092 0.000 0.986 220 V HN 0.665 nan 8.190 nan 0.000 0.467 221 W N 3.114 124.411 121.300 -0.004 0.000 2.632 221 W HA 0.797 5.454 4.660 -0.006 0.000 0.328 221 W C 0.299 176.805 176.519 -0.022 0.000 1.044 221 W CA 0.164 57.495 57.345 -0.024 0.000 1.225 221 W CB 1.999 31.417 29.460 -0.070 0.000 1.396 221 W HN 1.073 nan 8.180 nan 0.000 0.499 222 S N 0.115 115.948 115.700 0.223 0.000 2.656 222 S HA 0.322 4.789 4.470 -0.006 0.000 0.265 222 S C -1.005 173.690 174.600 0.158 0.000 1.132 222 S CA -1.236 57.064 58.200 0.167 0.000 0.819 222 S CB 0.834 64.100 63.200 0.110 0.000 1.119 222 S HN 0.480 nan 8.310 nan 0.000 0.476 223 E N 1.112 121.404 120.200 0.153 0.000 2.481 223 E HA 0.055 4.401 4.350 -0.006 0.000 0.263 223 E C 0.972 177.625 176.600 0.088 0.000 0.992 223 E CA 0.065 56.543 56.400 0.131 0.000 0.938 223 E CB 0.464 30.235 29.700 0.119 0.000 0.933 223 E HN 0.629 nan 8.360 nan 0.000 0.453 224 K N 2.331 122.779 120.400 0.080 0.000 2.108 224 K HA -0.299 4.017 4.320 -0.006 0.000 0.219 224 K C 1.609 178.234 176.600 0.041 0.000 1.054 224 K CA 2.321 58.641 56.287 0.055 0.000 0.945 224 K CB 0.053 32.587 32.500 0.057 0.000 0.728 224 K HN 0.505 nan 8.250 nan 0.000 0.462 225 E N -0.079 120.147 120.200 0.043 0.000 2.418 225 E HA -0.185 4.161 4.350 -0.006 0.000 0.197 225 E C 1.469 178.084 176.600 0.025 0.000 1.026 225 E CA 1.069 57.487 56.400 0.030 0.000 0.862 225 E CB -0.005 29.712 29.700 0.028 0.000 0.799 225 E HN 0.435 nan 8.360 nan 0.000 0.518 226 Q N 0.152 119.972 119.800 0.034 0.000 2.352 226 Q HA 0.146 4.482 4.340 -0.006 0.000 0.212 226 Q C 2.113 178.132 176.000 0.033 0.000 0.888 226 Q CA 0.128 55.951 55.803 0.032 0.000 0.934 226 Q CB 0.458 29.221 28.738 0.042 0.000 1.093 226 Q HN 0.075 nan 8.270 nan 0.000 0.523 227 V N 0.958 120.891 119.914 0.032 0.000 2.282 227 V HA -0.319 3.797 4.120 -0.006 0.000 0.249 227 V C 2.176 178.281 176.094 0.018 0.000 1.057 227 V CA 2.367 64.682 62.300 0.025 0.000 1.032 227 V CB -0.374 31.453 31.823 0.008 0.000 0.645 227 V HN 0.481 nan 8.190 nan 0.000 0.447 228 E N 0.156 120.362 120.200 0.010 0.000 2.047 228 E HA -0.278 4.068 4.350 -0.006 0.000 0.191 228 E C 2.335 178.943 176.600 0.014 0.000 0.987 228 E CA 1.577 57.982 56.400 0.009 0.000 0.799 228 E CB -0.106 29.592 29.700 -0.005 0.000 0.752 228 E HN 0.558 nan 8.360 nan 0.000 0.449 229 K N 0.071 120.468 120.400 -0.004 0.000 2.057 229 K HA -0.110 4.206 4.320 -0.006 0.000 0.207 229 K C 2.199 178.772 176.600 -0.044 0.000 1.049 229 K CA 1.665 57.941 56.287 -0.018 0.000 0.931 229 K CB -0.017 32.465 32.500 -0.031 0.000 0.714 229 K HN -0.015 nan 8.250 nan 0.000 0.440 230 S N 0.297 115.972 115.700 -0.042 0.000 2.383 230 S HA -0.099 4.367 4.470 -0.006 0.000 0.227 230 S C 1.944 176.519 174.600 -0.042 0.000 1.026 230 S CA 1.046 59.194 58.200 -0.088 0.000 0.981 230 S CB -0.156 63.114 63.200 0.117 0.000 0.818 230 S HN 0.517 nan 8.310 nan 0.000 0.472 231 A N 0.054 122.899 122.820 0.041 0.000 2.015 231 A HA -0.050 4.266 4.320 -0.006 0.000 0.219 231 A C 1.897 179.520 177.584 0.065 0.000 1.163 231 A CA 1.140 53.221 52.037 0.073 0.000 0.646 231 A CB -0.645 18.389 19.000 0.056 0.000 0.806 231 A HN 0.600 nan 8.150 nan 0.000 0.448 232 Y N 0.146 120.405 120.300 -0.069 0.000 2.206 232 Y HA -0.038 4.508 4.550 -0.006 0.000 0.292 232 Y C 2.305 178.136 175.900 -0.115 0.000 1.123 232 Y CA 1.931 59.990 58.100 -0.068 0.000 1.142 232 Y CB -0.179 38.242 38.460 -0.066 0.000 1.006 232 Y HN 0.343 nan 8.280 nan 0.000 0.518 233 E N -0.023 120.056 120.200 -0.201 0.000 2.118 233 E HA -0.176 4.170 4.350 -0.006 0.000 0.195 233 E C 0.751 177.132 176.600 -0.365 0.000 0.992 233 E CA 1.602 57.743 56.400 -0.432 0.000 0.804 233 E CB -0.352 28.822 29.700 -0.876 0.000 0.741 233 E HN 0.453 nan 8.360 nan 0.000 0.458 234 F N -0.338 119.619 119.950 0.012 0.000 2.684 234 F HA 0.248 4.771 4.527 -0.006 0.000 0.298 234 F C 1.611 177.414 175.800 0.005 0.000 1.120 234 F CA 0.101 58.120 58.000 0.032 0.000 1.332 234 F CB -0.280 38.765 39.000 0.075 0.000 0.986 234 F HN -0.029 nan 8.300 nan 0.000 0.524 235 S N -1.257 114.473 115.700 0.050 0.000 2.547 235 S HA -0.076 4.390 4.470 -0.006 0.000 0.235 235 S C 1.260 175.874 174.600 0.024 0.000 0.980 235 S CA 0.815 59.021 58.200 0.011 0.000 0.941 235 S CB -0.181 62.963 63.200 -0.093 0.000 0.763 235 S HN 0.230 nan 8.310 nan 0.000 0.532 236 E N 1.263 121.493 120.200 0.049 0.000 2.444 236 E HA 0.154 4.500 4.350 -0.006 0.000 0.191 236 E C 1.200 177.826 176.600 0.045 0.000 1.041 236 E CA 0.129 56.550 56.400 0.035 0.000 0.883 236 E CB -0.326 29.400 29.700 0.043 0.000 1.024 236 E HN 0.531 nan 8.360 nan 0.000 0.470 237 T N 1.191 115.791 114.554 0.076 0.000 2.622 237 T HA -0.206 4.140 4.350 -0.006 0.000 0.266 237 T C 1.776 176.465 174.700 -0.017 0.000 1.047 237 T CA 1.769 63.901 62.100 0.053 0.000 1.159 237 T CB -0.049 68.896 68.868 0.129 0.000 0.863 237 T HN 0.157 nan 8.240 nan 0.000 0.422 238 E N 1.473 121.676 120.200 0.006 0.000 2.130 238 E HA -0.147 4.199 4.350 -0.006 0.000 0.196 238 E C 2.319 178.902 176.600 -0.029 0.000 0.998 238 E CA 1.829 58.220 56.400 -0.015 0.000 0.806 238 E CB -0.445 29.262 29.700 0.011 0.000 0.738 238 E HN 0.536 nan 8.360 nan 0.000 0.459 239 S N -1.002 114.684 115.700 -0.022 0.000 2.436 239 S HA -0.078 4.388 4.470 -0.006 0.000 0.228 239 S C 2.055 176.627 174.600 -0.046 0.000 1.014 239 S CA 0.905 59.085 58.200 -0.033 0.000 0.950 239 S CB -0.281 62.896 63.200 -0.038 0.000 0.784 239 S HN 0.300 nan 8.310 nan 0.000 0.504 240 M N 0.932 120.506 119.600 -0.044 0.000 2.117 240 M HA 0.021 4.498 4.480 -0.006 0.000 0.262 240 M C 2.208 178.468 176.300 -0.066 0.000 1.065 240 M CA 1.460 56.732 55.300 -0.047 0.000 1.114 240 M CB -0.642 31.943 32.600 -0.025 0.000 1.361 240 M HN 0.311 nan 8.290 nan 0.000 0.408 241 L N 0.045 121.206 121.223 -0.104 0.000 2.012 241 L HA -0.263 4.073 4.340 -0.006 0.000 0.210 241 L C 2.535 179.397 176.870 -0.012 0.000 1.073 241 L CA 1.541 56.321 54.840 -0.100 0.000 0.748 241 L CB -0.574 41.361 42.059 -0.208 0.000 0.891 241 L HN 0.281 nan 8.230 nan 0.000 0.431 242 K N 0.112 120.500 120.400 -0.019 0.000 2.020 242 K HA -0.225 4.092 4.320 -0.006 0.000 0.212 242 K C 1.993 178.580 176.600 -0.022 0.000 1.050 242 K CA 1.716 58.003 56.287 -0.000 0.000 0.929 242 K CB -0.335 32.162 32.500 -0.005 0.000 0.714 242 K HN 0.220 nan 8.250 nan 0.000 0.443 243 I N 0.789 121.333 120.570 -0.043 0.000 2.208 243 I HA -0.293 3.873 4.170 -0.006 0.000 0.245 243 I C 2.397 178.446 176.117 -0.113 0.000 1.097 243 I CA 1.279 62.542 61.300 -0.061 0.000 1.363 243 I CB -0.308 37.660 38.000 -0.052 0.000 1.051 243 I HN 0.177 nan 8.210 nan 0.000 0.413 244 A N -0.094 122.642 122.820 -0.140 0.000 2.015 244 A HA -0.180 4.136 4.320 -0.006 0.000 0.219 244 A C 2.232 179.452 177.584 -0.606 0.000 1.163 244 A CA 1.386 53.215 52.037 -0.347 0.000 0.646 244 A CB -0.463 18.390 19.000 -0.245 0.000 0.806 244 A HN 0.440 nan 8.150 nan 0.000 0.448 245 E N -0.595 119.473 120.200 -0.219 0.000 2.072 245 E HA -0.195 4.151 4.350 -0.006 0.000 0.190 245 E C 1.617 178.152 176.600 -0.110 0.000 0.982 245 E CA 1.142 57.511 56.400 -0.052 0.000 0.803 245 E CB -0.142 29.663 29.700 0.175 0.000 0.755 245 E HN 0.713 nan 8.360 nan 0.000 0.453 246 D N 0.352 120.693 120.400 -0.098 0.000 2.144 246 D HA -0.139 4.497 4.640 -0.006 0.000 0.199 246 D C 1.871 178.091 176.300 -0.133 0.000 0.984 246 D CA 0.895 54.845 54.000 -0.083 0.000 0.834 246 D CB 0.117 40.884 40.800 -0.055 0.000 0.955 246 D HN 0.071 nan 8.370 nan 0.000 0.465 247 L N -1.124 119.970 121.223 -0.215 0.000 2.068 247 L HA 0.181 4.517 4.340 -0.006 0.000 0.204 247 L C 2.364 179.057 176.870 -0.295 0.000 1.076 247 L CA 1.238 55.941 54.840 -0.228 0.000 0.753 247 L CB -0.275 41.646 42.059 -0.229 0.000 0.910 247 L HN 0.145 nan 8.230 nan 0.000 0.439 248 G N -1.296 107.169 108.800 -0.558 0.000 3.192 248 G HA2 0.476 4.433 3.960 -0.006 0.000 0.239 248 G HA3 0.476 4.433 3.960 -0.006 0.000 0.239 248 G C 0.615 175.294 174.900 -0.368 0.000 1.084 248 G CA 0.461 45.178 45.100 -0.638 0.000 0.784 248 G HN 0.536 nan 8.290 nan 0.000 0.540 249 G N -0.154 108.530 108.800 -0.193 0.000 2.566 249 G HA2 -0.003 3.954 3.960 -0.006 0.000 0.599 249 G HA3 -0.003 3.954 3.960 -0.006 0.000 0.599 249 G C -3.051 172.091 174.900 0.403 0.000 1.292 249 G CA -0.778 44.390 45.100 0.114 0.000 0.922 249 G HN 0.156 nan 8.290 nan 0.000 0.514 250 P HA 0.217 nan 4.420 nan 0.000 0.264 250 P C -0.480 177.111 177.300 0.485 0.000 1.183 250 P CA 0.209 63.522 63.100 0.354 0.000 0.763 250 P CB 0.166 31.970 31.700 0.173 0.000 0.807 251 Y N 4.454 124.964 120.300 0.351 0.000 2.531 251 Y HA 0.173 4.719 4.550 -0.007 0.000 0.347 251 Y C 1.185 177.093 175.900 0.013 0.000 1.024 251 Y CA -0.079 58.095 58.100 0.124 0.000 1.306 251 Y CB 0.218 38.800 38.460 0.203 0.000 1.149 251 Y HN 0.200 nan 8.280 nan 0.000 0.527 252 V N 3.332 122.890 119.914 -0.592 0.000 3.596 252 V HA 0.069 4.185 4.120 -0.006 0.000 0.289 252 V C 0.457 176.091 176.094 -0.767 0.000 1.336 252 V CA 0.098 62.042 62.300 -0.593 0.000 1.137 252 V CB -0.859 30.599 31.823 -0.607 0.000 0.966 252 V HN 0.819 nan 8.190 nan 0.000 0.428 253 W N 1.036 121.816 121.300 -0.866 0.000 3.278 253 W HA 0.662 5.318 4.660 -0.006 0.000 0.308 253 W C 1.845 178.253 176.519 -0.185 0.000 1.253 253 W CA 0.687 57.703 57.345 -0.547 0.000 1.759 253 W CB 0.268 29.360 29.460 -0.615 0.000 1.093 253 W HN 0.504 nan 8.180 nan 0.000 0.648 254 G N 0.459 109.312 108.800 0.088 0.000 4.933 254 G HA2 -0.353 3.603 3.960 -0.006 0.000 0.285 254 G HA3 -0.353 3.603 3.960 -0.006 0.000 0.285 254 G C 0.162 175.287 174.900 0.375 0.000 1.596 254 G CA 0.336 45.559 45.100 0.206 0.000 1.081 254 G HN 0.180 nan 8.290 nan 0.000 0.710 255 Q N -0.064 119.958 119.800 0.370 0.000 2.235 255 Q HA 0.719 5.055 4.340 -0.006 0.000 0.256 255 Q C -1.317 174.950 176.000 0.445 0.000 0.951 255 Q CA -0.790 55.217 55.803 0.341 0.000 0.890 255 Q CB 1.253 30.131 28.738 0.233 0.000 1.279 255 Q HN 0.642 nan 8.270 nan 0.000 0.444 256 Y N 2.967 123.381 120.300 0.190 0.000 2.805 256 Y HA 0.375 4.921 4.550 -0.007 0.000 0.339 256 Y C -1.207 174.752 175.900 0.099 0.000 1.012 256 Y CA -0.729 57.430 58.100 0.098 0.000 1.262 256 Y CB 0.561 38.929 38.460 -0.153 0.000 1.100 256 Y HN 0.636 nan 8.280 nan 0.000 0.559 257 D N 3.604 123.880 120.400 -0.206 0.000 2.388 257 D HA 0.515 5.151 4.640 -0.006 0.000 0.254 257 D C -0.885 175.280 176.300 -0.225 0.000 1.111 257 D CA -0.101 53.866 54.000 -0.056 0.000 0.993 257 D CB 1.816 42.725 40.800 0.182 0.000 1.118 257 D HN 0.497 nan 8.370 nan 0.000 0.502 258 L N 1.305 122.529 121.223 0.002 0.000 2.409 258 L HA 0.384 4.721 4.340 -0.006 0.000 0.272 258 L C -1.198 175.706 176.870 0.057 0.000 0.980 258 L CA -0.951 53.862 54.840 -0.045 0.000 0.826 258 L CB 2.015 44.048 42.059 -0.042 0.000 1.268 258 L HN 0.102 nan 8.230 nan 0.000 0.407 259 L N 4.626 125.803 121.223 -0.077 0.000 2.313 259 L HA 0.652 4.988 4.340 -0.006 0.000 0.283 259 L C -0.936 175.815 176.870 -0.198 0.000 1.013 259 L CA -0.287 54.461 54.840 -0.154 0.000 0.816 259 L CB 1.870 43.624 42.059 -0.508 0.000 1.236 259 L HN 0.270 nan 8.230 nan 0.000 0.419 260 V N 6.517 126.390 119.914 -0.068 0.000 2.347 260 V HA 0.409 4.525 4.120 -0.006 0.000 0.280 260 V C 0.254 176.280 176.094 -0.114 0.000 1.021 260 V CA -0.469 61.803 62.300 -0.047 0.000 0.847 260 V CB 1.124 33.023 31.823 0.126 0.000 0.990 260 V HN 0.666 nan 8.190 nan 0.000 0.444 261 L N 7.093 128.166 121.223 -0.249 0.000 2.439 261 L HA 0.510 4.846 4.340 -0.006 0.000 0.259 261 L C -2.051 174.686 176.870 -0.221 0.000 1.129 261 L CA -1.572 53.074 54.840 -0.323 0.000 0.803 261 L CB 0.769 42.427 42.059 -0.668 0.000 1.161 261 L HN 0.421 nan 8.230 nan 0.000 0.462 262 P HA 0.074 nan 4.420 nan 0.000 0.271 262 P C -2.259 175.017 177.300 -0.041 0.000 1.244 262 P CA -0.936 62.051 63.100 -0.187 0.000 0.793 262 P CB -0.063 31.474 31.700 -0.272 0.000 0.984 263 P HA -0.085 nan 4.420 nan 0.000 0.233 263 P C 1.009 178.365 177.300 0.094 0.000 1.167 263 P CA 1.125 64.260 63.100 0.059 0.000 0.770 263 P CB -0.311 31.424 31.700 0.057 0.000 0.837 264 S N -1.806 113.978 115.700 0.140 0.000 2.607 264 S HA -0.019 4.447 4.470 -0.006 0.000 0.224 264 S C 0.529 175.253 174.600 0.207 0.000 0.969 264 S CA -0.462 57.852 58.200 0.190 0.000 0.927 264 S CB -1.355 62.006 63.200 0.268 0.000 0.772 264 S HN -0.046 nan 8.310 nan 0.000 0.533 265 F N 4.019 123.930 119.950 -0.066 0.000 2.623 265 F HA 0.260 4.784 4.527 -0.005 0.000 0.383 265 F C -1.971 173.705 175.800 -0.207 0.000 1.077 265 F CA -2.062 55.802 58.000 -0.227 0.000 1.268 265 F CB 0.796 39.584 39.000 -0.353 0.000 1.053 265 F HN 0.040 nan 8.300 nan 0.000 0.571 266 P HA 0.003 nan 4.420 nan 0.000 0.236 266 P C -1.262 175.259 177.300 -1.298 0.000 1.177 266 P CA 1.153 63.603 63.100 -1.084 0.000 0.773 266 P CB 0.100 30.979 31.700 -1.369 0.000 0.878 267 Y N -2.528 117.290 120.300 -0.803 0.000 2.602 267 Y HA 0.559 5.105 4.550 -0.007 0.000 0.342 267 Y C 1.997 177.838 175.900 -0.098 0.000 1.029 267 Y CA -0.852 56.996 58.100 -0.421 0.000 1.080 267 Y CB 0.315 38.544 38.460 -0.384 0.000 1.284 267 Y HN -0.328 nan 8.280 nan 0.000 0.485 268 G N 0.214 109.074 108.800 0.099 0.000 2.418 268 G HA2 0.278 4.235 3.960 -0.006 0.000 0.217 268 G HA3 0.278 4.235 3.960 -0.006 0.000 0.217 268 G C 0.385 175.442 174.900 0.262 0.000 1.158 268 G CA 0.957 46.120 45.100 0.106 0.000 0.771 268 G HN 0.974 nan 8.290 nan 0.000 0.545 269 G N -1.654 107.345 108.800 0.330 0.000 2.673 269 G HA2 0.513 4.470 3.960 -0.006 0.000 0.292 269 G HA3 0.513 4.470 3.960 -0.006 0.000 0.292 269 G C -1.701 173.423 174.900 0.374 0.000 1.450 269 G CA -0.679 44.647 45.100 0.377 0.000 0.837 269 G HN 0.284 nan 8.290 nan 0.000 0.505 270 M N 1.693 121.495 119.600 0.337 0.000 2.204 270 M HA 0.387 4.863 4.480 -0.006 0.000 0.293 270 M C 0.298 176.623 176.300 0.043 0.000 0.994 270 M CA -0.914 54.478 55.300 0.153 0.000 0.925 270 M CB 1.825 34.500 32.600 0.125 0.000 1.577 270 M HN 0.542 nan 8.290 nan 0.000 0.439 271 E N 2.655 122.875 120.200 0.032 0.000 2.545 271 E HA 0.055 4.401 4.350 -0.006 0.000 0.271 271 E C -1.085 175.434 176.600 -0.135 0.000 1.508 271 E CA -0.004 56.410 56.400 0.024 0.000 1.774 271 E CB -1.109 28.629 29.700 0.062 0.000 1.460 271 E HN 0.802 nan 8.360 nan 0.000 0.449 272 N N 3.629 122.206 118.700 -0.205 0.000 2.411 272 N HA 0.029 4.765 4.740 -0.006 0.000 0.261 272 N C -2.361 172.987 175.510 -0.269 0.000 1.248 272 N CA -0.797 52.080 53.050 -0.288 0.000 0.885 272 N CB 0.419 38.640 38.487 -0.443 0.000 1.062 272 N HN 0.248 nan 8.380 nan 0.000 0.471 273 P HA -0.053 nan 4.420 nan 0.000 0.268 273 P C 0.141 177.324 177.300 -0.196 0.000 1.204 273 P CA -0.065 62.756 63.100 -0.465 0.000 0.768 273 P CB 0.584 31.893 31.700 -0.652 0.000 0.842 274 C N 0.854 120.088 119.300 -0.109 0.000 5.812 274 C HA -0.210 4.246 4.460 -0.006 0.000 0.308 274 C C 0.453 175.395 174.990 -0.081 0.000 2.271 274 C CA 0.831 59.859 59.018 0.016 0.000 2.025 274 C CB -2.367 25.410 27.740 0.061 0.000 3.036 274 C HN 0.669 nan 8.230 nan 0.000 0.372 275 L N 1.055 122.197 121.223 -0.135 0.000 2.595 275 L HA 0.492 4.828 4.340 -0.006 0.000 0.259 275 L C -0.068 176.781 176.870 -0.036 0.000 1.033 275 L CA 0.401 55.182 54.840 -0.098 0.000 0.901 275 L CB 0.969 43.018 42.059 -0.017 0.000 1.151 275 L HN 0.168 nan 8.230 nan 0.000 0.453 276 T N 4.167 118.613 114.554 -0.180 0.000 2.901 276 T HA 0.380 4.726 4.350 -0.006 0.000 0.301 276 T C -0.333 174.456 174.700 0.149 0.000 1.012 276 T CA 0.522 62.602 62.100 -0.033 0.000 1.135 276 T CB -0.005 68.824 68.868 -0.066 0.000 0.936 276 T HN 0.170 nan 8.240 nan 0.000 0.539 277 F N 3.439 123.270 119.950 -0.198 0.000 2.404 277 F HA 0.553 5.076 4.527 -0.006 0.000 0.339 277 F C 0.525 176.131 175.800 -0.324 0.000 1.105 277 F CA -1.434 56.337 58.000 -0.381 0.000 1.087 277 F CB 0.899 39.530 39.000 -0.615 0.000 1.143 277 F HN 0.274 nan 8.300 nan 0.000 0.491 278 V N -0.641 119.136 119.914 -0.228 0.000 3.102 278 V HA 0.694 4.811 4.120 -0.006 0.000 0.312 278 V C -0.279 175.787 176.094 -0.047 0.000 1.135 278 V CA -0.875 61.389 62.300 -0.060 0.000 1.022 278 V CB 1.462 33.233 31.823 -0.087 0.000 1.056 278 V HN 0.710 nan 8.190 nan 0.000 0.436 279 T N 2.391 117.049 114.554 0.174 0.000 2.897 279 T HA 0.432 4.778 4.350 -0.006 0.000 0.294 279 T C -1.210 173.582 174.700 0.153 0.000 1.004 279 T CA -1.154 61.058 62.100 0.187 0.000 1.106 279 T CB 1.301 70.285 68.868 0.193 0.000 0.949 279 T HN 0.843 nan 8.240 nan 0.000 0.520 280 P HA -0.030 nan 4.420 nan 0.000 0.234 280 P C 1.223 178.603 177.300 0.133 0.000 1.167 280 P CA 0.799 63.970 63.100 0.117 0.000 0.763 280 P CB -0.328 31.410 31.700 0.064 0.000 0.835 281 T N -3.352 111.296 114.554 0.158 0.000 3.113 281 T HA 0.032 4.378 4.350 -0.006 0.000 0.263 281 T C 1.785 176.599 174.700 0.189 0.000 1.143 281 T CA 0.269 62.478 62.100 0.181 0.000 1.090 281 T CB -1.013 68.028 68.868 0.289 0.000 0.922 281 T HN 0.065 nan 8.240 nan 0.000 0.521 282 L N 0.087 121.441 121.223 0.217 0.000 2.465 282 L HA 0.234 4.570 4.340 -0.006 0.000 0.224 282 L C 1.164 178.133 176.870 0.165 0.000 1.145 282 L CA 0.517 55.510 54.840 0.256 0.000 0.834 282 L CB -0.418 41.905 42.059 0.439 0.000 0.944 282 L HN 0.323 nan 8.230 nan 0.000 0.451 283 L N 0.833 122.115 121.223 0.098 0.000 2.437 283 L HA 0.096 4.432 4.340 -0.006 0.000 0.243 283 L C 1.601 178.472 176.870 0.002 0.000 1.346 283 L CA -0.436 54.397 54.840 -0.011 0.000 1.233 283 L CB 0.089 42.144 42.059 -0.007 0.000 1.436 283 L HN 0.102 nan 8.230 nan 0.000 0.416 284 A N 0.730 123.556 122.820 0.010 0.000 2.167 284 A HA 0.244 4.560 4.320 -0.006 0.000 0.214 284 A C 1.874 179.464 177.584 0.010 0.000 1.151 284 A CA 0.919 52.964 52.037 0.013 0.000 0.735 284 A CB -0.093 18.917 19.000 0.017 0.000 0.802 284 A HN 0.776 nan 8.150 nan 0.000 0.467 285 G N -0.137 108.674 108.800 0.018 0.000 2.213 285 G HA2 -0.278 3.678 3.960 -0.006 0.000 0.236 285 G HA3 -0.278 3.678 3.960 -0.006 0.000 0.236 285 G C 0.326 175.303 174.900 0.129 0.000 0.991 285 G CA 0.977 46.098 45.100 0.036 0.000 0.629 285 G HN 0.998 nan 8.290 nan 0.000 0.517 286 D N -0.580 119.891 120.400 0.118 0.000 2.563 286 D HA 0.203 4.840 4.640 -0.006 0.000 0.256 286 D C 0.933 177.284 176.300 0.085 0.000 1.400 286 D CA 0.518 54.601 54.000 0.139 0.000 0.800 286 D CB -0.499 40.343 40.800 0.069 0.000 1.145 286 D HN 0.484 nan 8.370 nan 0.000 0.501 287 K N -0.198 120.233 120.400 0.053 0.000 3.446 287 K HA -0.206 4.110 4.320 -0.006 0.000 0.312 287 K C 1.119 177.781 176.600 0.104 0.000 1.329 287 K CA 1.054 57.371 56.287 0.051 0.000 0.935 287 K CB -2.273 30.235 32.500 0.015 0.000 1.281 287 K HN 0.328 nan 8.250 nan 0.000 0.457 288 S N 0.263 116.003 115.700 0.068 0.000 2.489 288 S HA 0.011 4.478 4.470 -0.006 0.000 0.228 288 S C 1.318 175.970 174.600 0.087 0.000 0.995 288 S CA 0.385 58.609 58.200 0.041 0.000 0.934 288 S CB -0.012 63.121 63.200 -0.112 0.000 0.771 288 S HN 0.390 nan 8.310 nan 0.000 0.522 289 L N 2.588 123.887 121.223 0.127 0.000 2.728 289 L HA 0.278 4.614 4.340 -0.006 0.000 0.235 289 L C 1.959 178.978 176.870 0.247 0.000 1.197 289 L CA 0.206 55.151 54.840 0.174 0.000 0.992 289 L CB -0.327 41.829 42.059 0.161 0.000 1.263 289 L HN 0.408 nan 8.230 nan 0.000 0.484 290 S N -0.408 115.457 115.700 0.275 0.000 2.474 290 S HA -0.182 4.284 4.470 -0.006 0.000 0.235 290 S C 1.835 176.602 174.600 0.278 0.000 0.997 290 S CA 0.940 59.323 58.200 0.305 0.000 0.949 290 S CB -0.534 62.851 63.200 0.309 0.000 0.766 290 S HN 0.687 nan 8.310 nan 0.000 0.517 291 N N 2.445 121.314 118.700 0.281 0.000 2.132 291 N HA -0.161 4.575 4.740 -0.006 0.000 0.191 291 N C 1.546 177.186 175.510 0.217 0.000 1.015 291 N CA 1.759 54.956 53.050 0.244 0.000 0.864 291 N CB -0.946 37.670 38.487 0.215 0.000 1.006 291 N HN 0.429 nan 8.380 nan 0.000 0.430 292 V N 1.625 121.659 119.914 0.200 0.000 2.407 292 V HA -0.173 3.943 4.120 -0.006 0.000 0.248 292 V C 2.639 178.857 176.094 0.208 0.000 1.055 292 V CA 1.046 63.457 62.300 0.184 0.000 1.049 292 V CB -0.422 31.489 31.823 0.146 0.000 0.662 292 V HN 0.245 nan 8.190 nan 0.000 0.455 293 I N 0.754 121.426 120.570 0.170 0.000 2.226 293 I HA -0.214 3.952 4.170 -0.006 0.000 0.245 293 I C 2.729 178.938 176.117 0.153 0.000 1.100 293 I CA 1.952 63.330 61.300 0.130 0.000 1.374 293 I CB -1.704 36.347 38.000 0.085 0.000 1.057 293 I HN 0.319 nan 8.210 nan 0.000 0.413 294 A N 0.182 123.099 122.820 0.162 0.000 1.902 294 A HA -0.287 4.030 4.320 -0.006 0.000 0.217 294 A C 2.294 179.967 177.584 0.148 0.000 1.181 294 A CA 2.054 54.171 52.037 0.133 0.000 0.623 294 A CB -1.162 17.925 19.000 0.145 0.000 0.818 294 A HN 0.537 nan 8.150 nan 0.000 0.443 295 H N -0.186 118.949 119.070 0.109 0.000 2.289 295 H HA -0.158 4.394 4.556 -0.007 0.000 0.296 295 H C 2.071 177.477 175.328 0.130 0.000 1.091 295 H CA 2.206 58.314 56.048 0.099 0.000 1.274 295 H CB 0.103 29.949 29.762 0.140 0.000 1.364 295 H HN 0.403 nan 8.280 nan 0.000 0.490 296 E N 0.434 120.843 120.200 0.349 0.000 2.051 296 E HA -0.152 4.194 4.350 -0.006 0.000 0.192 296 E C 2.635 179.429 176.600 0.322 0.000 0.991 296 E CA 1.152 57.780 56.400 0.380 0.000 0.799 296 E CB -0.433 29.480 29.700 0.356 0.000 0.748 296 E HN 0.595 nan 8.360 nan 0.000 0.449 297 I N 1.237 121.932 120.570 0.209 0.000 2.151 297 I HA -0.312 3.854 4.170 -0.006 0.000 0.243 297 I C 2.332 178.628 176.117 0.297 0.000 1.080 297 I CA 1.244 62.591 61.300 0.080 0.000 1.339 297 I CB -0.228 37.698 38.000 -0.123 0.000 1.039 297 I HN -0.016 nan 8.210 nan 0.000 0.409 298 S N -0.661 115.167 115.700 0.214 0.000 2.383 298 S HA -0.217 4.249 4.470 -0.006 0.000 0.229 298 S C 1.875 176.660 174.600 0.308 0.000 1.030 298 S CA 1.001 59.355 58.200 0.257 0.000 1.002 298 S CB -0.514 62.698 63.200 0.021 0.000 0.829 298 S HN 0.437 nan 8.310 nan 0.000 0.467 299 H N 1.453 120.629 119.070 0.176 0.000 2.518 299 H HA 0.032 4.584 4.556 -0.007 0.000 0.294 299 H C 2.086 177.466 175.328 0.086 0.000 1.083 299 H CA 0.938 57.062 56.048 0.125 0.000 1.264 299 H CB -0.382 29.426 29.762 0.077 0.000 1.370 299 H HN 0.307 nan 8.280 nan 0.000 0.560 300 S N -0.583 115.237 115.700 0.199 0.000 2.469 300 S HA -0.120 4.346 4.470 -0.006 0.000 0.238 300 S C 1.586 176.064 174.600 -0.203 0.000 0.998 300 S CA 0.546 58.648 58.200 -0.164 0.000 0.957 300 S CB 0.014 63.066 63.200 -0.247 0.000 0.764 300 S HN 0.563 nan 8.310 nan 0.000 0.514 301 W N 1.110 122.538 121.300 0.213 0.000 3.127 301 W HA 0.148 4.804 4.660 -0.007 0.000 0.248 301 W C 0.501 177.080 176.519 0.100 0.000 1.058 301 W CA 0.204 57.635 57.345 0.143 0.000 1.783 301 W CB -0.890 28.634 29.460 0.105 0.000 1.030 301 W HN 0.145 nan 8.180 nan 0.000 0.653 302 T N -0.609 114.171 114.554 0.378 0.000 2.811 302 T HA 0.578 4.924 4.350 -0.006 0.000 0.309 302 T C 0.754 175.647 174.700 0.323 0.000 1.005 302 T CA 0.495 62.761 62.100 0.277 0.000 0.955 302 T CB 0.934 69.970 68.868 0.280 0.000 0.970 302 T HN 0.396 nan 8.240 nan 0.000 0.496 303 G N 4.479 113.410 108.800 0.218 0.000 2.604 303 G HA2 -0.293 3.663 3.960 -0.006 0.000 0.205 303 G HA3 -0.293 3.663 3.960 -0.006 0.000 0.205 303 G C 1.049 176.042 174.900 0.154 0.000 1.186 303 G CA -0.020 45.213 45.100 0.223 0.000 0.753 303 G HN 0.557 nan 8.290 nan 0.000 0.526 304 N N 0.618 119.385 118.700 0.111 0.000 2.354 304 N HA 0.241 4.978 4.740 -0.006 0.000 0.179 304 N C 2.114 177.759 175.510 0.224 0.000 1.021 304 N CA 1.162 54.233 53.050 0.035 0.000 0.887 304 N CB -0.017 38.310 38.487 -0.267 0.000 0.974 304 N HN 0.522 nan 8.380 nan 0.000 0.437 305 L N -0.574 120.735 121.223 0.145 0.000 2.356 305 L HA 0.235 4.571 4.340 -0.006 0.000 0.193 305 L C 0.416 177.212 176.870 -0.124 0.000 1.087 305 L CA 0.176 54.988 54.840 -0.046 0.000 0.817 305 L CB 0.232 42.186 42.059 -0.176 0.000 1.035 305 L HN -0.058 nan 8.230 nan 0.000 0.482 306 V N 0.816 120.671 119.914 -0.098 0.000 2.383 306 V HA 0.376 4.492 4.120 -0.006 0.000 0.275 306 V C -0.471 175.587 176.094 -0.060 0.000 1.036 306 V CA -0.029 62.188 62.300 -0.138 0.000 0.889 306 V CB 1.417 33.060 31.823 -0.300 0.000 0.985 306 V HN 0.184 nan 8.190 nan 0.000 0.459 307 T N 7.090 121.607 114.554 -0.060 0.000 2.885 307 T HA 0.407 4.753 4.350 -0.006 0.000 0.285 307 T C -0.220 174.424 174.700 -0.093 0.000 1.019 307 T CA -0.595 61.494 62.100 -0.018 0.000 1.010 307 T CB 0.966 69.849 68.868 0.024 0.000 1.022 307 T HN 0.918 nan 8.240 nan 0.000 0.466 308 N N 2.039 120.678 118.700 -0.101 0.000 2.492 308 N HA 0.074 4.810 4.740 -0.006 0.000 0.262 308 N C 0.742 176.116 175.510 -0.225 0.000 1.202 308 N CA -0.508 52.450 53.050 -0.155 0.000 0.926 308 N CB 1.402 39.830 38.487 -0.098 0.000 1.078 308 N HN 0.532 nan 8.380 nan 0.000 0.454 309 K N 0.367 120.658 120.400 -0.180 0.000 2.167 309 K HA -0.070 4.246 4.320 -0.006 0.000 0.203 309 K C 0.529 177.014 176.600 -0.191 0.000 1.052 309 K CA 1.180 57.367 56.287 -0.168 0.000 0.956 309 K CB 0.111 32.524 32.500 -0.145 0.000 0.735 309 K HN 0.877 nan 8.250 nan 0.000 0.451 310 T N -5.378 109.087 114.554 -0.148 0.000 2.762 310 T HA 0.201 4.547 4.350 -0.006 0.000 0.301 310 T C -0.285 174.295 174.700 -0.200 0.000 1.299 310 T CA -0.920 61.054 62.100 -0.210 0.000 1.005 310 T CB 0.089 68.980 68.868 0.037 0.000 1.377 310 T HN 0.240 nan 8.240 nan 0.000 0.504 311 W N 0.163 121.478 121.300 0.025 0.000 3.047 311 W HA 0.186 4.841 4.660 -0.008 0.000 0.250 311 W C 1.192 177.709 176.519 -0.003 0.000 1.314 311 W CA -0.211 57.114 57.345 -0.032 0.000 1.540 311 W CB 0.086 29.457 29.460 -0.148 0.000 1.127 311 W HN 0.697 nan 8.180 nan 0.000 0.679 312 D N -1.065 119.406 120.400 0.118 0.000 2.263 312 D HA -0.138 4.498 4.640 -0.006 0.000 0.208 312 D C 1.352 177.545 176.300 -0.179 0.000 0.971 312 D CA 1.302 55.262 54.000 -0.068 0.000 0.867 312 D CB -0.245 40.410 40.800 -0.240 0.000 0.929 312 D HN 0.347 nan 8.370 nan 0.000 0.492 313 H N -1.176 118.025 119.070 0.218 0.000 2.528 313 H HA 0.067 4.620 4.556 -0.005 0.000 0.282 313 H C 1.178 176.551 175.328 0.075 0.000 1.097 313 H CA -0.417 55.717 56.048 0.144 0.000 1.121 313 H CB -0.071 29.695 29.762 0.007 0.000 1.590 313 H HN 0.047 nan 8.280 nan 0.000 0.553 314 F N 2.541 122.573 119.950 0.137 0.000 2.184 314 F HA -0.284 4.240 4.527 -0.007 0.000 0.301 314 F C 2.357 178.209 175.800 0.086 0.000 1.076 314 F CA 1.382 59.477 58.000 0.157 0.000 1.295 314 F CB -0.366 38.786 39.000 0.253 0.000 1.026 314 F HN 0.395 nan 8.300 nan 0.000 0.494 315 W N 0.636 121.939 121.300 0.005 0.000 2.387 315 W HA -0.202 4.453 4.660 -0.007 0.000 0.272 315 W C 1.401 177.861 176.519 -0.099 0.000 1.224 315 W CA 0.990 58.256 57.345 -0.132 0.000 1.210 315 W CB -1.371 28.060 29.460 -0.049 0.000 1.125 315 W HN 0.154 nan 8.180 nan 0.000 0.572 316 L N 1.324 122.017 121.223 -0.884 0.000 2.027 316 L HA -0.237 4.099 4.340 -0.006 0.000 0.206 316 L C 2.543 179.291 176.870 -0.202 0.000 1.074 316 L CA 1.774 56.145 54.840 -0.782 0.000 0.745 316 L CB -1.099 40.567 42.059 -0.655 0.000 0.898 316 L HN -0.048 nan 8.230 nan 0.000 0.433 317 N N -0.205 118.401 118.700 -0.157 0.000 2.043 317 N HA -0.186 4.550 4.740 -0.006 0.000 0.193 317 N C 1.821 177.312 175.510 -0.031 0.000 1.037 317 N CA 1.352 54.401 53.050 -0.003 0.000 0.851 317 N CB -0.110 38.403 38.487 0.043 0.000 1.027 317 N HN 0.262 nan 8.380 nan 0.000 0.422 318 E N -0.426 119.592 120.200 -0.304 0.000 2.086 318 E HA 0.080 4.426 4.350 -0.006 0.000 0.190 318 E C 2.129 178.692 176.600 -0.061 0.000 0.975 318 E CA 0.763 56.952 56.400 -0.352 0.000 0.813 318 E CB -0.820 28.267 29.700 -1.020 0.000 0.768 318 E HN 0.383 nan 8.360 nan 0.000 0.457 319 G N 1.267 110.090 108.800 0.040 0.000 2.476 319 G HA2 -0.295 3.661 3.960 -0.006 0.000 0.218 319 G HA3 -0.295 3.661 3.960 -0.006 0.000 0.218 319 G C 1.241 176.226 174.900 0.142 0.000 1.164 319 G CA 1.364 46.571 45.100 0.178 0.000 0.768 319 G HN 0.328 nan 8.290 nan 0.000 0.560 320 H N -0.307 118.840 119.070 0.128 0.000 2.457 320 H HA 0.068 4.620 4.556 -0.007 0.000 0.294 320 H C 2.851 178.307 175.328 0.214 0.000 1.064 320 H CA 1.554 57.728 56.048 0.211 0.000 1.330 320 H CB -0.130 29.729 29.762 0.160 0.000 1.395 320 H HN 0.293 nan 8.280 nan 0.000 0.541 321 T N -0.355 114.274 114.554 0.124 0.000 2.812 321 T HA -0.084 4.262 4.350 -0.006 0.000 0.264 321 T C 2.231 176.910 174.700 -0.035 0.000 1.042 321 T CA 1.154 63.166 62.100 -0.147 0.000 1.140 321 T CB -0.262 68.125 68.868 -0.802 0.000 0.870 321 T HN 0.110 nan 8.240 nan 0.000 0.445 322 V N 0.461 120.462 119.914 0.146 0.000 2.548 322 V HA -0.118 3.998 4.120 -0.006 0.000 0.249 322 V C 1.984 178.231 176.094 0.255 0.000 1.055 322 V CA 1.257 63.690 62.300 0.221 0.000 1.065 322 V CB -0.734 31.246 31.823 0.261 0.000 0.681 322 V HN 0.475 nan 8.190 nan 0.000 0.462 323 Y N 0.475 121.000 120.300 0.375 0.000 2.128 323 Y HA -0.218 4.328 4.550 -0.006 0.000 0.284 323 Y C 2.203 178.323 175.900 0.366 0.000 1.154 323 Y CA 1.741 60.134 58.100 0.489 0.000 1.149 323 Y CB -0.100 38.609 38.460 0.415 0.000 0.976 323 Y HN 0.125 nan 8.280 nan 0.000 0.505 324 L N -0.197 121.208 121.223 0.304 0.000 2.095 324 L HA -0.154 4.182 4.340 -0.006 0.000 0.204 324 L C 2.514 179.444 176.870 0.101 0.000 1.080 324 L CA 1.589 56.549 54.840 0.200 0.000 0.759 324 L CB -0.685 41.473 42.059 0.165 0.000 0.914 324 L HN 0.284 nan 8.230 nan 0.000 0.439 325 E N 0.825 121.068 120.200 0.072 0.000 2.108 325 E HA -0.314 4.032 4.350 -0.006 0.000 0.203 325 E C 2.254 178.880 176.600 0.043 0.000 1.022 325 E CA 1.776 58.218 56.400 0.070 0.000 0.823 325 E CB 0.023 29.786 29.700 0.105 0.000 0.744 325 E HN 0.379 nan 8.360 nan 0.000 0.456 326 R N -1.056 119.416 120.500 -0.046 0.000 2.148 326 R HA -0.045 4.291 4.340 -0.006 0.000 0.223 326 R C 2.544 178.770 176.300 -0.122 0.000 1.088 326 R CA 0.966 56.981 56.100 -0.142 0.000 0.985 326 R CB -0.161 29.943 30.300 -0.327 0.000 0.880 326 R HN 0.346 nan 8.270 nan 0.000 0.451 327 H N 0.429 119.456 119.070 -0.072 0.000 2.395 327 H HA -0.013 4.539 4.556 -0.006 0.000 0.299 327 H C 2.122 177.458 175.328 0.012 0.000 1.070 327 H CA 1.283 57.308 56.048 -0.039 0.000 1.356 327 H CB 0.084 29.802 29.762 -0.073 0.000 1.401 327 H HN 0.150 nan 8.280 nan 0.000 0.524 328 I N -0.299 120.350 120.570 0.131 0.000 2.179 328 I HA -0.306 3.860 4.170 -0.006 0.000 0.242 328 I C 2.644 178.821 176.117 0.100 0.000 1.088 328 I CA 0.937 62.286 61.300 0.082 0.000 1.357 328 I CB -0.205 37.831 38.000 0.061 0.000 1.051 328 I HN 0.217 nan 8.210 nan 0.000 0.409 329 C N 0.748 120.152 119.300 0.173 0.000 2.435 329 C HA -0.047 4.410 4.460 -0.006 0.000 0.279 329 C C 2.906 178.123 174.990 0.379 0.000 1.321 329 C CA 0.980 60.208 59.018 0.350 0.000 1.752 329 C CB -1.583 26.400 27.740 0.406 0.000 1.959 329 C HN 0.677 nan 8.230 nan 0.000 0.500 330 G N -0.270 108.669 108.800 0.231 0.000 2.408 330 G HA2 -0.155 3.801 3.960 -0.006 0.000 0.217 330 G HA3 -0.155 3.801 3.960 -0.006 0.000 0.217 330 G C 1.890 176.885 174.900 0.158 0.000 1.150 330 G CA 0.258 45.490 45.100 0.221 0.000 0.776 330 G HN 0.450 nan 8.290 nan 0.000 0.542 331 R N -0.268 120.292 120.500 0.099 0.000 2.090 331 R HA 0.145 4.481 4.340 -0.006 0.000 0.228 331 R C 2.579 178.831 176.300 -0.080 0.000 1.110 331 R CA 0.535 56.651 56.100 0.025 0.000 0.973 331 R CB -0.463 29.842 30.300 0.008 0.000 0.869 331 R HN 0.379 nan 8.270 nan 0.000 0.440 332 L N -1.028 120.072 121.223 -0.206 0.000 2.131 332 L HA -0.062 4.274 4.340 -0.006 0.000 0.206 332 L C 1.343 177.840 176.870 -0.622 0.000 1.087 332 L CA 1.233 55.729 54.840 -0.575 0.000 0.767 332 L CB -0.075 41.364 42.059 -1.033 0.000 0.917 332 L HN 0.081 nan 8.230 nan 0.000 0.441 333 F N -1.240 118.711 119.950 0.001 0.000 2.789 333 F HA 0.471 4.994 4.527 -0.006 0.000 0.320 333 F C 0.953 176.747 175.800 -0.010 0.000 1.079 333 F CA 0.097 58.039 58.000 -0.097 0.000 1.205 333 F CB 0.533 39.313 39.000 -0.367 0.000 1.046 333 F HN -0.021 nan 8.300 nan 0.000 0.586 334 G N 0.705 109.645 108.800 0.234 0.000 2.428 334 G HA2 -0.070 3.886 3.960 -0.006 0.000 0.681 334 G HA3 -0.070 3.886 3.960 -0.006 0.000 0.681 334 G C -0.007 175.033 174.900 0.234 0.000 1.340 334 G CA -0.308 44.903 45.100 0.185 0.000 0.915 334 G HN 0.005 nan 8.290 nan 0.000 0.645 335 E N 0.217 120.526 120.200 0.182 0.000 2.110 335 E HA -0.061 4.285 4.350 -0.006 0.000 0.193 335 E C 2.243 178.979 176.600 0.228 0.000 0.988 335 E CA 2.206 58.730 56.400 0.206 0.000 0.804 335 E CB -0.103 29.690 29.700 0.155 0.000 0.745 335 E HN 0.578 nan 8.360 nan 0.000 0.458 336 K N -0.834 119.667 120.400 0.168 0.000 2.147 336 K HA -0.119 4.197 4.320 -0.006 0.000 0.205 336 K C 1.924 178.696 176.600 0.287 0.000 1.049 336 K CA 1.138 57.528 56.287 0.171 0.000 0.936 336 K CB -0.291 32.279 32.500 0.116 0.000 0.722 336 K HN 0.152 nan 8.250 nan 0.000 0.446 337 F N 2.014 122.042 119.950 0.130 0.000 2.146 337 F HA -0.120 4.403 4.527 -0.006 0.000 0.298 337 F C 2.423 178.338 175.800 0.192 0.000 1.096 337 F CA 1.259 59.333 58.000 0.122 0.000 1.275 337 F CB -0.120 38.913 39.000 0.055 0.000 1.008 337 F HN -0.144 nan 8.300 nan 0.000 0.480 338 R N -0.668 119.933 120.500 0.168 0.000 2.103 338 R HA -0.220 4.116 4.340 -0.006 0.000 0.242 338 R C 2.400 178.706 176.300 0.010 0.000 1.142 338 R CA 2.122 58.237 56.100 0.025 0.000 0.960 338 R CB -0.650 29.694 30.300 0.073 0.000 0.858 338 R HN 0.454 nan 8.270 nan 0.000 0.439 339 H N -1.383 117.733 119.070 0.076 0.000 2.389 339 H HA -0.147 4.405 4.556 -0.006 0.000 0.299 339 H C 1.923 177.321 175.328 0.117 0.000 1.081 339 H CA 1.468 57.614 56.048 0.165 0.000 1.345 339 H CB -0.134 29.786 29.762 0.262 0.000 1.393 339 H HN 0.239 nan 8.280 nan 0.000 0.520 340 F N 2.309 122.271 119.950 0.021 0.000 2.046 340 F HA -0.230 4.294 4.527 -0.005 0.000 0.297 340 F C 1.955 177.620 175.800 -0.224 0.000 1.123 340 F CA 1.838 59.778 58.000 -0.100 0.000 1.199 340 F CB -0.487 38.420 39.000 -0.154 0.000 0.972 340 F HN 0.036 nan 8.300 nan 0.000 0.474 341 N N 0.051 118.560 118.700 -0.318 0.000 2.166 341 N HA -0.161 4.576 4.740 -0.006 0.000 0.186 341 N C 1.955 177.221 175.510 -0.407 0.000 1.019 341 N CA 0.977 53.769 53.050 -0.430 0.000 0.856 341 N CB -0.359 37.875 38.487 -0.421 0.000 0.993 341 N HN 0.420 nan 8.380 nan 0.000 0.426 342 A N 1.027 123.638 122.820 -0.348 0.000 1.877 342 A HA -0.102 4.214 4.320 -0.006 0.000 0.216 342 A C 2.093 179.583 177.584 -0.157 0.000 1.186 342 A CA 0.965 52.835 52.037 -0.277 0.000 0.620 342 A CB -0.705 18.139 19.000 -0.262 0.000 0.822 342 A HN 0.232 nan 8.150 nan 0.000 0.443 343 L N 0.299 121.332 121.223 -0.316 0.000 2.046 343 L HA -0.028 4.308 4.340 -0.006 0.000 0.208 343 L C 2.383 179.050 176.870 -0.338 0.000 1.077 343 L CA 2.236 56.709 54.840 -0.612 0.000 0.747 343 L CB -1.250 40.507 42.059 -0.505 0.000 0.896 343 L HN 0.319 nan 8.230 nan 0.000 0.432 344 G N -0.953 107.616 108.800 -0.384 0.000 2.459 344 G HA2 -0.262 3.694 3.960 -0.006 0.000 0.217 344 G HA3 -0.262 3.694 3.960 -0.006 0.000 0.217 344 G C 1.570 176.355 174.900 -0.193 0.000 1.183 344 G CA 0.688 45.587 45.100 -0.334 0.000 0.776 344 G HN 0.594 nan 8.290 nan 0.000 0.552 345 G N 0.067 108.753 108.800 -0.191 0.000 2.513 345 G HA2 -0.323 3.633 3.960 -0.006 0.000 0.219 345 G HA3 -0.323 3.633 3.960 -0.006 0.000 0.219 345 G C 1.636 176.546 174.900 0.016 0.000 1.160 345 G CA 1.050 46.086 45.100 -0.106 0.000 0.767 345 G HN 0.468 nan 8.290 nan 0.000 0.571 346 W N 2.023 123.254 121.300 -0.114 0.000 2.363 346 W HA -0.070 4.588 4.660 -0.005 0.000 0.296 346 W C 2.218 178.688 176.519 -0.082 0.000 1.212 346 W CA 1.553 58.864 57.345 -0.058 0.000 1.260 346 W CB -0.416 28.952 29.460 -0.153 0.000 1.131 346 W HN 0.217 nan 8.180 nan 0.000 0.530 347 G N 0.355 109.161 108.800 0.010 0.000 2.403 347 G HA2 -0.251 3.705 3.960 -0.006 0.000 0.216 347 G HA3 -0.251 3.705 3.960 -0.006 0.000 0.216 347 G C 1.332 176.160 174.900 -0.120 0.000 1.154 347 G CA 0.673 45.743 45.100 -0.051 0.000 0.784 347 G HN 0.139 nan 8.290 nan 0.000 0.538 348 E N 0.100 120.230 120.200 -0.116 0.000 2.153 348 E HA -0.092 4.254 4.350 -0.006 0.000 0.194 348 E C 2.424 178.938 176.600 -0.143 0.000 0.988 348 E CA 0.487 56.819 56.400 -0.114 0.000 0.811 348 E CB -0.314 29.325 29.700 -0.102 0.000 0.746 348 E HN 0.397 nan 8.360 nan 0.000 0.466 349 L N 1.195 122.293 121.223 -0.208 0.000 2.109 349 L HA -0.142 4.194 4.340 -0.006 0.000 0.207 349 L C 2.112 178.797 176.870 -0.310 0.000 1.086 349 L CA 1.627 56.305 54.840 -0.271 0.000 0.760 349 L CB -0.408 41.401 42.059 -0.416 0.000 0.910 349 L HN 0.041 nan 8.230 nan 0.000 0.437 350 Q N -0.645 118.936 119.800 -0.366 0.000 2.050 350 Q HA -0.206 4.130 4.340 -0.006 0.000 0.202 350 Q C 1.933 177.840 176.000 -0.154 0.000 0.980 350 Q CA 1.782 57.432 55.803 -0.256 0.000 0.840 350 Q CB -0.195 28.431 28.738 -0.186 0.000 0.898 350 Q HN 0.553 nan 8.270 nan 0.000 0.424 351 N N 0.021 118.639 118.700 -0.138 0.000 2.069 351 N HA -0.120 4.616 4.740 -0.006 0.000 0.191 351 N C 1.830 177.265 175.510 -0.125 0.000 1.031 351 N CA 1.407 54.387 53.050 -0.117 0.000 0.852 351 N CB -0.515 37.910 38.487 -0.103 0.000 1.018 351 N HN 0.029 nan 8.380 nan 0.000 0.423 352 S N 0.103 115.736 115.700 -0.111 0.000 2.368 352 S HA -0.021 4.445 4.470 -0.006 0.000 0.225 352 S C 2.083 176.691 174.600 0.013 0.000 1.030 352 S CA 0.578 58.729 58.200 -0.081 0.000 0.999 352 S CB -0.139 63.072 63.200 0.018 0.000 0.844 352 S HN 0.092 nan 8.310 nan 0.000 0.459 353 V N 1.395 121.309 119.914 -0.000 0.000 2.809 353 V HA -0.058 4.058 4.120 -0.006 0.000 0.256 353 V C 2.261 178.356 176.094 0.002 0.000 1.080 353 V CA 1.292 63.610 62.300 0.030 0.000 1.102 353 V CB -0.394 31.397 31.823 -0.053 0.000 0.705 353 V HN 0.362 nan 8.190 nan 0.000 0.475 354 K N -0.243 120.127 120.400 -0.051 0.000 2.044 354 K HA -0.114 4.202 4.320 -0.006 0.000 0.204 354 K C 2.310 178.868 176.600 -0.070 0.000 1.049 354 K CA 1.644 57.898 56.287 -0.055 0.000 0.945 354 K CB -0.293 32.166 32.500 -0.069 0.000 0.724 354 K HN 0.419 nan 8.250 nan 0.000 0.440 355 T N 0.892 115.362 114.554 -0.141 0.000 2.624 355 T HA -0.174 4.172 4.350 -0.006 0.000 0.268 355 T C 1.562 176.123 174.700 -0.230 0.000 1.041 355 T CA 1.686 63.639 62.100 -0.244 0.000 1.159 355 T CB -0.274 68.337 68.868 -0.429 0.000 0.863 355 T HN 0.097 nan 8.240 nan 0.000 0.434 356 F N 0.961 120.845 119.950 -0.109 0.000 2.335 356 F HA 0.365 4.888 4.527 -0.006 0.000 0.296 356 F C 1.749 177.514 175.800 -0.058 0.000 1.091 356 F CA 0.548 58.433 58.000 -0.193 0.000 1.399 356 F CB -0.471 38.344 39.000 -0.308 0.000 1.067 356 F HN 0.387 nan 8.300 nan 0.000 0.520 357 G N 0.637 109.531 108.800 0.158 0.000 2.911 357 G HA2 -0.146 3.810 3.960 -0.006 0.000 0.686 357 G HA3 -0.146 3.810 3.960 -0.006 0.000 0.686 357 G C 0.431 175.400 174.900 0.115 0.000 1.136 357 G CA -0.207 44.962 45.100 0.114 0.000 0.764 357 G HN 0.415 nan 8.290 nan 0.000 0.626 358 E N -0.209 120.023 120.200 0.052 0.000 2.478 358 E HA -0.028 4.319 4.350 -0.006 0.000 0.198 358 E C 1.623 178.233 176.600 0.017 0.000 1.046 358 E CA 1.363 57.778 56.400 0.025 0.000 0.870 358 E CB -0.019 29.677 29.700 -0.006 0.000 0.818 358 E HN 0.912 nan 8.360 nan 0.000 0.527 359 T N -2.904 111.665 114.554 0.025 0.000 3.044 359 T HA 0.056 4.403 4.350 -0.006 0.000 0.260 359 T C 0.149 174.834 174.700 -0.024 0.000 1.019 359 T CA -0.524 61.573 62.100 -0.006 0.000 0.921 359 T CB -0.431 68.424 68.868 -0.023 0.000 1.053 359 T HN 0.222 nan 8.240 nan 0.000 0.533 360 H N 3.494 122.523 119.070 -0.069 0.000 2.964 360 H HA 0.179 4.737 4.556 0.002 0.000 0.328 360 H C -1.344 173.875 175.328 -0.181 0.000 1.030 360 H CA -1.095 54.863 56.048 -0.151 0.000 1.445 360 H CB 1.154 30.829 29.762 -0.144 0.000 1.449 360 H HN -0.035 nan 8.280 nan 0.000 0.581 361 P HA -0.194 nan 4.420 nan 0.000 0.221 361 P C 0.615 177.997 177.300 0.136 0.000 1.145 361 P CA 1.099 64.118 63.100 -0.134 0.000 0.795 361 P CB 0.134 31.694 31.700 -0.233 0.000 0.775 362 F N 0.186 120.198 119.950 0.103 0.000 2.802 362 F HA 0.043 4.569 4.527 -0.002 0.000 0.300 362 F C 1.917 177.571 175.800 -0.242 0.000 1.168 362 F CA 0.699 58.591 58.000 -0.179 0.000 1.433 362 F CB -1.840 36.789 39.000 -0.619 0.000 1.115 362 F HN 0.042 nan 8.300 nan 0.000 0.582 363 T N -3.191 111.387 114.554 0.040 0.000 3.122 363 T HA 0.135 4.481 4.350 -0.006 0.000 0.250 363 T C 0.630 175.341 174.700 0.018 0.000 1.067 363 T CA -0.293 61.820 62.100 0.022 0.000 0.966 363 T CB -0.251 68.641 68.868 0.040 0.000 1.002 363 T HN -0.038 nan 8.240 nan 0.000 0.542 364 K N 0.676 121.104 120.400 0.047 0.000 2.326 364 K HA 0.345 4.661 4.320 -0.006 0.000 0.275 364 K C 0.770 177.383 176.600 0.021 0.000 1.018 364 K CA -0.573 55.737 56.287 0.038 0.000 0.962 364 K CB 1.146 33.699 32.500 0.089 0.000 0.953 364 K HN -0.050 nan 8.250 nan 0.000 0.475 365 L N 3.119 124.307 121.223 -0.058 0.000 1.988 365 L HA -0.061 4.275 4.340 -0.006 0.000 0.207 365 L C 0.240 177.083 176.870 -0.046 0.000 1.071 365 L CA 1.559 56.306 54.840 -0.156 0.000 0.744 365 L CB 0.279 42.076 42.059 -0.437 0.000 0.893 365 L HN 0.337 nan 8.230 nan 0.000 0.433 366 V N 1.387 121.296 119.914 -0.010 0.000 2.432 366 V HA 0.330 4.446 4.120 -0.006 0.000 0.275 366 V C 0.100 176.293 176.094 0.165 0.000 1.043 366 V CA -0.382 62.018 62.300 0.167 0.000 0.925 366 V CB 0.922 32.912 31.823 0.278 0.000 0.985 366 V HN 0.145 nan 8.190 nan 0.000 0.466 367 V N 1.397 121.391 119.914 0.132 0.000 3.177 367 V HA 0.736 4.852 4.120 -0.006 0.000 0.319 367 V C -0.569 175.584 176.094 0.098 0.000 1.125 367 V CA -0.864 61.513 62.300 0.129 0.000 1.029 367 V CB 2.152 34.052 31.823 0.128 0.000 1.119 367 V HN 0.739 nan 8.190 nan 0.000 0.452 368 D N 0.769 121.235 120.400 0.110 0.000 2.460 368 D HA 0.376 5.012 4.640 -0.006 0.000 0.232 368 D C 0.323 176.685 176.300 0.103 0.000 1.079 368 D CA -0.264 53.791 54.000 0.092 0.000 0.864 368 D CB 1.023 41.872 40.800 0.082 0.000 1.048 368 D HN 0.592 nan 8.370 nan 0.000 0.523 369 L N 2.570 123.846 121.223 0.088 0.000 2.645 369 L HA 0.106 4.442 4.340 -0.006 0.000 0.235 369 L C 0.674 177.610 176.870 0.110 0.000 1.150 369 L CA 0.100 54.988 54.840 0.080 0.000 0.911 369 L CB -0.305 41.791 42.059 0.062 0.000 1.077 369 L HN 0.323 nan 8.230 nan 0.000 0.438 370 T N 1.326 115.945 114.554 0.108 0.000 2.778 370 T HA -0.086 4.260 4.350 -0.006 0.000 0.282 370 T C 0.527 175.307 174.700 0.132 0.000 0.983 370 T CA 0.336 62.501 62.100 0.109 0.000 1.193 370 T CB -0.033 68.883 68.868 0.081 0.000 0.938 370 T HN 0.355 nan 8.240 nan 0.000 0.523 371 D N 0.253 120.757 120.400 0.173 0.000 3.079 371 D HA -0.148 4.489 4.640 -0.006 0.000 0.214 371 D C -0.123 176.340 176.300 0.272 0.000 1.145 371 D CA 0.770 54.906 54.000 0.227 0.000 0.958 371 D CB -0.705 40.180 40.800 0.141 0.000 1.117 371 D HN 0.405 nan 8.370 nan 0.000 0.416 372 I N 1.232 121.918 120.570 0.193 0.000 2.354 372 I HA 0.183 4.349 4.170 -0.006 0.000 0.292 372 I C 0.688 176.596 176.117 -0.349 0.000 0.989 372 I CA -0.901 60.405 61.300 0.011 0.000 1.188 372 I CB 1.434 39.458 38.000 0.040 0.000 1.342 372 I HN -0.203 nan 8.210 nan 0.000 0.457 373 D N 9.023 128.911 120.400 -0.854 0.000 2.382 373 D HA 0.107 4.743 4.640 -0.006 0.000 0.259 373 D C -1.702 174.268 176.300 -0.550 0.000 1.224 373 D CA -1.671 51.608 54.000 -1.201 0.000 0.894 373 D CB 1.586 41.744 40.800 -1.069 0.000 1.127 373 D HN 0.199 nan 8.370 nan 0.000 0.487 374 P HA -0.130 nan 4.420 nan 0.000 0.217 374 P C 0.644 177.736 177.300 -0.347 0.000 1.148 374 P CA 0.867 63.714 63.100 -0.422 0.000 0.828 374 P CB 0.286 31.652 31.700 -0.557 0.000 0.783 375 D N -1.272 118.953 120.400 -0.292 0.000 2.263 375 D HA -0.078 4.558 4.640 -0.006 0.000 0.208 375 D C 1.812 178.062 176.300 -0.083 0.000 0.971 375 D CA 0.829 54.738 54.000 -0.151 0.000 0.867 375 D CB -0.315 40.442 40.800 -0.072 0.000 0.929 375 D HN 0.070 nan 8.370 nan 0.000 0.492 376 V N 0.678 120.505 119.914 -0.144 0.000 2.725 376 V HA -0.007 4.109 4.120 -0.006 0.000 0.247 376 V C 2.252 178.283 176.094 -0.105 0.000 1.058 376 V CA 1.307 63.576 62.300 -0.052 0.000 1.080 376 V CB -0.100 31.708 31.823 -0.025 0.000 0.713 376 V HN 0.150 nan 8.190 nan 0.000 0.465 377 A N -1.382 121.192 122.820 -0.410 0.000 2.169 377 A HA 0.031 4.347 4.320 -0.006 0.000 0.212 377 A C 1.023 178.404 177.584 -0.338 0.000 1.153 377 A CA 0.023 51.520 52.037 -0.899 0.000 0.756 377 A CB -0.415 17.851 19.000 -1.224 0.000 0.813 377 A HN 0.534 nan 8.150 nan 0.000 0.471 378 Y N 2.106 122.289 120.300 -0.196 0.000 2.526 378 Y HA 0.363 4.909 4.550 -0.007 0.000 0.330 378 Y C 0.622 176.604 175.900 0.136 0.000 1.156 378 Y CA 0.361 58.444 58.100 -0.028 0.000 1.419 378 Y CB 0.421 38.861 38.460 -0.034 0.000 1.250 378 Y HN 0.354 nan 8.280 nan 0.000 0.540 379 S N 1.386 116.864 115.700 -0.369 0.000 2.755 379 S HA 0.258 4.725 4.470 -0.006 0.000 0.286 379 S C 0.116 174.582 174.600 -0.223 0.000 1.207 379 S CA -0.370 57.689 58.200 -0.235 0.000 0.892 379 S CB 0.931 64.270 63.200 0.231 0.000 1.240 379 S HN 0.414 nan 8.310 nan 0.000 0.525 380 S N 0.242 115.887 115.700 -0.090 0.000 2.489 380 S HA 0.057 4.523 4.470 -0.006 0.000 0.228 380 S C 1.821 176.507 174.600 0.143 0.000 0.995 380 S CA 0.754 58.930 58.200 -0.039 0.000 0.934 380 S CB -0.549 62.587 63.200 -0.106 0.000 0.771 380 S HN 0.514 nan 8.310 nan 0.000 0.522 381 V N 3.496 123.487 119.914 0.130 0.000 2.231 381 V HA -0.179 3.937 4.120 -0.006 0.000 0.248 381 V C -0.414 175.773 176.094 0.156 0.000 1.054 381 V CA 2.003 64.375 62.300 0.120 0.000 1.015 381 V CB -1.773 30.110 31.823 0.100 0.000 0.638 381 V HN 0.377 nan 8.190 nan 0.000 0.444 382 P HA -0.166 nan 4.420 nan 0.000 0.220 382 P C 1.213 178.583 177.300 0.117 0.000 1.148 382 P CA 1.728 64.921 63.100 0.155 0.000 0.803 382 P CB -0.094 31.689 31.700 0.139 0.000 0.782 383 Y N 0.796 121.136 120.300 0.066 0.000 2.130 383 Y HA -0.085 4.461 4.550 -0.007 0.000 0.287 383 Y C 2.713 178.714 175.900 0.168 0.000 1.124 383 Y CA 1.349 59.511 58.100 0.104 0.000 1.118 383 Y CB -0.938 37.554 38.460 0.054 0.000 0.994 383 Y HN -0.100 nan 8.280 nan 0.000 0.497 384 E N 0.018 120.403 120.200 0.308 0.000 2.250 384 E HA -0.083 4.263 4.350 -0.006 0.000 0.192 384 E C 1.944 178.709 176.600 0.276 0.000 0.986 384 E CA 0.501 57.061 56.400 0.267 0.000 0.849 384 E CB -0.084 29.687 29.700 0.118 0.000 0.797 384 E HN 0.393 nan 8.360 nan 0.000 0.482 385 K N 0.509 121.018 120.400 0.181 0.000 2.062 385 K HA -0.047 4.269 4.320 -0.006 0.000 0.205 385 K C 2.094 178.803 176.600 0.182 0.000 1.051 385 K CA 1.152 57.535 56.287 0.160 0.000 0.941 385 K CB -0.194 32.337 32.500 0.052 0.000 0.719 385 K HN 0.110 nan 8.250 nan 0.000 0.440 386 G N 0.755 109.653 108.800 0.164 0.000 2.418 386 G HA2 -0.286 3.670 3.960 -0.006 0.000 0.217 386 G HA3 -0.286 3.670 3.960 -0.006 0.000 0.217 386 G C 1.324 176.346 174.900 0.203 0.000 1.158 386 G CA 0.710 45.920 45.100 0.185 0.000 0.771 386 G HN 0.409 nan 8.290 nan 0.000 0.545 387 F N 2.470 122.527 119.950 0.178 0.000 2.134 387 F HA 0.117 4.640 4.527 -0.007 0.000 0.299 387 F C 2.750 178.693 175.800 0.238 0.000 1.097 387 F CA 1.292 59.414 58.000 0.203 0.000 1.264 387 F CB -0.359 38.756 39.000 0.192 0.000 1.001 387 F HN 0.226 nan 8.300 nan 0.000 0.479 388 A N 0.809 123.762 122.820 0.222 0.000 1.917 388 A HA -0.230 4.087 4.320 -0.006 0.000 0.219 388 A C 2.153 179.765 177.584 0.047 0.000 1.182 388 A CA 1.943 54.157 52.037 0.294 0.000 0.633 388 A CB -1.418 17.977 19.000 0.658 0.000 0.819 388 A HN 0.542 nan 8.150 nan 0.000 0.448 389 L N -0.316 120.826 121.223 -0.136 0.000 2.042 389 L HA -0.136 4.200 4.340 -0.006 0.000 0.210 389 L C 2.272 178.857 176.870 -0.473 0.000 1.076 389 L CA 1.821 56.243 54.840 -0.697 0.000 0.749 389 L CB -0.504 41.178 42.059 -0.628 0.000 0.893 389 L HN 0.422 nan 8.230 nan 0.000 0.432 390 L N -2.236 118.775 121.223 -0.352 0.000 2.109 390 L HA -0.167 4.169 4.340 -0.006 0.000 0.207 390 L C 2.392 178.918 176.870 -0.574 0.000 1.086 390 L CA 0.889 55.462 54.840 -0.446 0.000 0.760 390 L CB -0.682 41.145 42.059 -0.387 0.000 0.910 390 L HN 0.234 nan 8.230 nan 0.000 0.437 391 F N 0.097 119.669 119.950 -0.631 0.000 2.102 391 F HA -0.292 4.231 4.527 -0.007 0.000 0.298 391 F C 2.615 178.172 175.800 -0.404 0.000 1.105 391 F CA 1.356 59.058 58.000 -0.497 0.000 1.239 391 F CB -0.660 37.961 39.000 -0.633 0.000 0.991 391 F HN 0.050 nan 8.300 nan 0.000 0.474 392 Y N 0.616 120.636 120.300 -0.467 0.000 2.151 392 Y HA -0.251 4.296 4.550 -0.006 0.000 0.284 392 Y C 2.073 177.622 175.900 -0.586 0.000 1.166 392 Y CA 1.958 59.752 58.100 -0.510 0.000 1.163 392 Y CB -0.862 37.324 38.460 -0.457 0.000 0.974 392 Y HN 0.128 nan 8.280 nan 0.000 0.511 393 L N 0.138 120.855 121.223 -0.844 0.000 2.093 393 L HA -0.172 4.165 4.340 -0.006 0.000 0.208 393 L C 2.630 178.911 176.870 -0.982 0.000 1.085 393 L CA 1.746 55.996 54.840 -0.983 0.000 0.755 393 L CB -0.651 40.929 42.059 -0.798 0.000 0.904 393 L HN 0.311 nan 8.230 nan 0.000 0.435 394 E N 0.342 119.903 120.200 -1.065 0.000 2.058 394 E HA -0.295 4.051 4.350 -0.006 0.000 0.194 394 E C 2.101 178.448 176.600 -0.421 0.000 0.997 394 E CA 1.597 57.583 56.400 -0.691 0.000 0.801 394 E CB -0.018 29.469 29.700 -0.356 0.000 0.746 394 E HN 0.554 nan 8.360 nan 0.000 0.450 395 Q N -0.101 119.396 119.800 -0.505 0.000 2.224 395 Q HA -0.136 4.200 4.340 -0.006 0.000 0.203 395 Q C 2.234 178.020 176.000 -0.355 0.000 0.970 395 Q CA 0.868 56.432 55.803 -0.398 0.000 0.865 395 Q CB -0.002 28.458 28.738 -0.464 0.000 0.922 395 Q HN 0.271 nan 8.270 nan 0.000 0.445 396 L N -0.169 120.762 121.223 -0.487 0.000 2.179 396 L HA -0.034 4.302 4.340 -0.006 0.000 0.208 396 L C 1.562 178.202 176.870 -0.383 0.000 1.096 396 L CA 1.368 55.923 54.840 -0.475 0.000 0.779 396 L CB 0.183 41.795 42.059 -0.743 0.000 0.922 396 L HN 0.145 nan 8.230 nan 0.000 0.443 397 L N -1.428 119.554 121.223 -0.402 0.000 2.607 397 L HA 0.367 4.703 4.340 -0.006 0.000 0.228 397 L C 1.199 177.996 176.870 -0.121 0.000 1.123 397 L CA 0.596 55.225 54.840 -0.351 0.000 0.890 397 L CB 0.062 41.725 42.059 -0.659 0.000 1.103 397 L HN 0.433 nan 8.230 nan 0.000 0.468 398 G N -0.804 107.938 108.800 -0.096 0.000 2.198 398 G HA2 0.125 4.081 3.960 -0.006 0.000 0.156 398 G HA3 0.125 4.081 3.960 -0.006 0.000 0.156 398 G C 0.385 175.305 174.900 0.033 0.000 1.012 398 G CA -0.365 44.726 45.100 -0.016 0.000 0.692 398 G HN 0.683 nan 8.290 nan 0.000 0.492 399 G N -0.885 107.935 108.800 0.033 0.000 2.371 399 G HA2 0.445 4.401 3.960 -0.006 0.000 0.663 399 G HA3 0.445 4.401 3.960 -0.006 0.000 0.663 399 G C -1.336 173.688 174.900 0.207 0.000 1.311 399 G CA 0.279 45.431 45.100 0.087 0.000 0.985 399 G HN 0.443 nan 8.290 nan 0.000 0.566 400 P HA -0.049 nan 4.420 nan 0.000 0.216 400 P C 1.331 178.818 177.300 0.312 0.000 1.153 400 P CA 1.859 65.199 63.100 0.401 0.000 0.848 400 P CB 0.064 32.032 31.700 0.447 0.000 0.787 401 E N -0.521 119.810 120.200 0.218 0.000 2.106 401 E HA -0.103 4.243 4.350 -0.006 0.000 0.192 401 E C 2.236 178.948 176.600 0.187 0.000 0.984 401 E CA 0.760 57.255 56.400 0.158 0.000 0.806 401 E CB -0.465 29.305 29.700 0.118 0.000 0.750 401 E HN 0.268 nan 8.360 nan 0.000 0.458 402 I N 0.167 120.879 120.570 0.236 0.000 2.233 402 I HA -0.224 3.942 4.170 -0.006 0.000 0.243 402 I C 2.098 178.464 176.117 0.415 0.000 1.093 402 I CA 0.781 62.261 61.300 0.300 0.000 1.380 402 I CB -0.064 38.120 38.000 0.307 0.000 1.067 402 I HN 0.032 nan 8.210 nan 0.000 0.413 403 F N 0.790 120.917 119.950 0.295 0.000 2.365 403 F HA -0.106 4.417 4.527 -0.007 0.000 0.300 403 F C 2.046 178.048 175.800 0.336 0.000 1.090 403 F CA 1.273 59.483 58.000 0.349 0.000 1.408 403 F CB -0.072 39.078 39.000 0.251 0.000 1.060 403 F HN -0.063 nan 8.300 nan 0.000 0.534 404 L N -1.245 120.149 121.223 0.286 0.000 2.179 404 L HA -0.024 4.312 4.340 -0.006 0.000 0.208 404 L C 2.707 179.588 176.870 0.020 0.000 1.096 404 L CA 0.951 55.865 54.840 0.123 0.000 0.779 404 L CB -1.237 40.829 42.059 0.010 0.000 0.922 404 L HN 0.203 nan 8.230 nan 0.000 0.443 405 G N 0.149 108.981 108.800 0.053 0.000 2.440 405 G HA2 -0.354 3.602 3.960 -0.006 0.000 0.218 405 G HA3 -0.354 3.602 3.960 -0.006 0.000 0.218 405 G C 1.481 176.255 174.900 -0.210 0.000 1.154 405 G CA 0.781 45.899 45.100 0.029 0.000 0.767 405 G HN 0.359 nan 8.290 nan 0.000 0.552 406 F N 0.748 120.334 119.950 -0.606 0.000 2.146 406 F HA 0.054 4.577 4.527 -0.007 0.000 0.298 406 F C 2.234 177.739 175.800 -0.493 0.000 1.096 406 F CA 1.061 58.381 58.000 -1.133 0.000 1.275 406 F CB -0.324 38.025 39.000 -1.085 0.000 1.008 406 F HN 0.090 nan 8.300 nan 0.000 0.480 407 L N 1.315 122.235 121.223 -0.505 0.000 2.017 407 L HA -0.198 4.139 4.340 -0.006 0.000 0.208 407 L C 2.561 179.337 176.870 -0.158 0.000 1.073 407 L CA 2.135 56.804 54.840 -0.285 0.000 0.745 407 L CB -1.121 40.970 42.059 0.052 0.000 0.894 407 L HN 0.259 nan 8.230 nan 0.000 0.432 408 K N -0.985 119.328 120.400 -0.144 0.000 2.063 408 K HA -0.189 4.127 4.320 -0.006 0.000 0.208 408 K C 1.905 178.431 176.600 -0.125 0.000 1.048 408 K CA 1.476 57.696 56.287 -0.111 0.000 0.928 408 K CB -0.194 32.256 32.500 -0.082 0.000 0.713 408 K HN 0.408 nan 8.250 nan 0.000 0.442 409 A N 0.079 122.800 122.820 -0.165 0.000 1.968 409 A HA -0.146 4.170 4.320 -0.006 0.000 0.217 409 A C 1.971 179.468 177.584 -0.145 0.000 1.169 409 A CA 1.084 53.081 52.037 -0.067 0.000 0.638 409 A CB -0.703 18.349 19.000 0.086 0.000 0.812 409 A HN 0.615 nan 8.150 nan 0.000 0.446 410 Y N 0.549 120.628 120.300 -0.368 0.000 2.242 410 Y HA -0.137 4.409 4.550 -0.007 0.000 0.291 410 Y C 2.093 177.794 175.900 -0.332 0.000 1.137 410 Y CA 1.794 59.621 58.100 -0.455 0.000 1.181 410 Y CB -0.337 37.744 38.460 -0.631 0.000 0.989 410 Y HN 0.044 nan 8.280 nan 0.000 0.527 411 V N 1.082 120.791 119.914 -0.341 0.000 2.343 411 V HA -0.276 3.840 4.120 -0.006 0.000 0.247 411 V C 2.150 178.062 176.094 -0.304 0.000 1.051 411 V CA 2.339 64.451 62.300 -0.314 0.000 1.036 411 V CB -0.605 31.196 31.823 -0.038 0.000 0.654 411 V HN 0.451 nan 8.190 nan 0.000 0.451 412 E N 0.112 120.157 120.200 -0.258 0.000 2.072 412 E HA -0.266 4.080 4.350 -0.006 0.000 0.191 412 E C 2.197 178.585 176.600 -0.352 0.000 0.985 412 E CA 1.252 57.514 56.400 -0.229 0.000 0.801 412 E CB -0.173 29.438 29.700 -0.149 0.000 0.750 412 E HN 0.392 nan 8.360 nan 0.000 0.452 413 K N 0.702 120.754 120.400 -0.580 0.000 2.032 413 K HA -0.141 4.176 4.320 -0.006 0.000 0.209 413 K C 1.007 177.087 176.600 -0.867 0.000 1.048 413 K CA 1.430 57.166 56.287 -0.919 0.000 0.927 413 K CB -0.144 31.314 32.500 -1.737 0.000 0.712 413 K HN 0.041 nan 8.250 nan 0.000 0.441 414 F N 0.546 120.189 119.950 -0.510 0.000 2.654 414 F HA 0.382 4.906 4.527 -0.005 0.000 0.303 414 F C 0.144 175.727 175.800 -0.361 0.000 1.099 414 F CA -0.509 57.238 58.000 -0.421 0.000 1.270 414 F CB 0.007 38.698 39.000 -0.515 0.000 1.024 414 F HN -0.265 nan 8.300 nan 0.000 0.548 415 S N 0.172 115.717 115.700 -0.260 0.000 2.552 415 S HA -0.013 4.454 4.470 -0.006 0.000 0.289 415 S C 0.147 174.547 174.600 -0.333 0.000 1.304 415 S CA 0.373 58.302 58.200 -0.452 0.000 1.063 415 S CB -0.321 62.520 63.200 -0.598 0.000 0.848 415 S HN 0.540 nan 8.310 nan 0.000 0.499 416 Y N -0.859 119.397 120.300 -0.072 0.000 4.907 416 Y HA -0.259 4.287 4.550 -0.006 0.000 0.246 416 Y C 0.652 176.526 175.900 -0.043 0.000 0.968 416 Y CA 0.669 58.728 58.100 -0.068 0.000 1.961 416 Y CB -1.448 36.954 38.460 -0.097 0.000 1.487 416 Y HN 0.410 nan 8.280 nan 0.000 0.575 417 K N 0.552 120.978 120.400 0.044 0.000 2.245 417 K HA 0.786 5.103 4.320 -0.006 0.000 0.234 417 K C 0.031 176.614 176.600 -0.028 0.000 1.021 417 K CA -0.786 55.519 56.287 0.029 0.000 0.898 417 K CB 1.638 34.178 32.500 0.067 0.000 1.163 417 K HN -0.069 nan 8.250 nan 0.000 0.459 418 S N 0.696 116.365 115.700 -0.052 0.000 2.482 418 S HA 0.676 5.142 4.470 -0.006 0.000 0.303 418 S C 0.061 174.562 174.600 -0.164 0.000 1.091 418 S CA -0.866 57.272 58.200 -0.103 0.000 1.057 418 S CB 0.647 63.795 63.200 -0.085 0.000 1.031 418 S HN 0.564 nan 8.310 nan 0.000 0.485 419 I N -0.386 120.041 120.570 -0.240 0.000 3.042 419 I HA 0.806 4.973 4.170 -0.006 0.000 0.310 419 I C -0.090 175.827 176.117 -0.334 0.000 1.117 419 I CA -0.933 60.169 61.300 -0.330 0.000 1.003 419 I CB 2.185 39.837 38.000 -0.580 0.000 1.228 419 I HN 0.586 nan 8.210 nan 0.000 0.443 420 T N -1.256 113.074 114.554 -0.374 0.000 2.923 420 T HA 0.326 4.672 4.350 -0.006 0.000 0.281 420 T C 0.876 175.406 174.700 -0.284 0.000 0.995 420 T CA -0.183 61.547 62.100 -0.617 0.000 0.985 420 T CB 1.425 69.965 68.868 -0.546 0.000 1.114 420 T HN 0.690 nan 8.240 nan 0.000 0.548 421 T N 0.963 115.434 114.554 -0.139 0.000 2.759 421 T HA -0.121 4.226 4.350 -0.006 0.000 0.269 421 T C 1.419 176.349 174.700 0.384 0.000 1.042 421 T CA 1.653 63.966 62.100 0.356 0.000 1.140 421 T CB -0.546 68.744 68.868 0.704 0.000 0.864 421 T HN 0.651 nan 8.240 nan 0.000 0.455 422 D N 1.205 121.736 120.400 0.217 0.000 2.144 422 D HA -0.088 4.549 4.640 -0.006 0.000 0.200 422 D C 1.897 178.278 176.300 0.135 0.000 0.978 422 D CA 0.889 54.989 54.000 0.166 0.000 0.833 422 D CB -0.308 40.556 40.800 0.107 0.000 0.961 422 D HN 0.378 nan 8.370 nan 0.000 0.470 423 D N 0.085 120.522 120.400 0.062 0.000 2.123 423 D HA -0.162 4.474 4.640 -0.006 0.000 0.196 423 D C 1.885 178.284 176.300 0.164 0.000 0.992 423 D CA 0.618 54.633 54.000 0.024 0.000 0.833 423 D CB -0.463 40.166 40.800 -0.286 0.000 0.954 423 D HN 0.368 nan 8.370 nan 0.000 0.455 424 W N 2.274 123.590 121.300 0.026 0.000 2.355 424 W HA -0.125 4.532 4.660 -0.006 0.000 0.309 424 W C 2.288 179.020 176.519 0.355 0.000 1.206 424 W CA 1.407 58.889 57.345 0.228 0.000 1.284 424 W CB -0.104 29.448 29.460 0.154 0.000 1.145 424 W HN -0.191 nan 8.180 nan 0.000 0.502 425 K N 0.103 120.622 120.400 0.199 0.000 2.097 425 K HA -0.190 4.127 4.320 -0.006 0.000 0.205 425 K C 1.591 178.161 176.600 -0.051 0.000 1.050 425 K CA 1.867 58.055 56.287 -0.164 0.000 0.938 425 K CB -0.393 32.074 32.500 -0.055 0.000 0.718 425 K HN 0.054 nan 8.250 nan 0.000 0.442 426 D N 0.285 120.721 120.400 0.061 0.000 2.097 426 D HA -0.183 4.454 4.640 -0.006 0.000 0.195 426 D C 1.613 178.046 176.300 0.221 0.000 0.989 426 D CA 0.952 55.018 54.000 0.111 0.000 0.827 426 D CB -0.371 40.513 40.800 0.141 0.000 0.966 426 D HN 0.151 nan 8.370 nan 0.000 0.456 427 F N 1.177 121.244 119.950 0.195 0.000 2.126 427 F HA -0.159 4.364 4.527 -0.007 0.000 0.299 427 F C 2.122 178.063 175.800 0.235 0.000 1.096 427 F CA 0.745 58.893 58.000 0.248 0.000 1.255 427 F CB -0.395 38.865 39.000 0.433 0.000 0.997 427 F HN -0.083 nan 8.300 nan 0.000 0.479 428 L N -0.499 120.721 121.223 -0.005 0.000 2.012 428 L HA -0.254 4.082 4.340 -0.006 0.000 0.210 428 L C 2.084 178.888 176.870 -0.109 0.000 1.073 428 L CA 1.937 56.649 54.840 -0.213 0.000 0.748 428 L CB -1.247 40.412 42.059 -0.667 0.000 0.891 428 L HN 0.181 nan 8.230 nan 0.000 0.431 429 Y N -0.832 119.377 120.300 -0.151 0.000 2.224 429 Y HA -0.227 4.319 4.550 -0.006 0.000 0.289 429 Y C 3.047 178.908 175.900 -0.065 0.000 1.146 429 Y CA 1.753 59.808 58.100 -0.075 0.000 1.182 429 Y CB -0.730 37.679 38.460 -0.085 0.000 0.983 429 Y HN 0.415 nan 8.280 nan 0.000 0.524 430 S N -1.043 114.669 115.700 0.019 0.000 2.357 430 S HA -0.251 4.215 4.470 -0.006 0.000 0.221 430 S C 2.033 176.520 174.600 -0.188 0.000 1.031 430 S CA 1.015 59.178 58.200 -0.062 0.000 0.982 430 S CB -0.753 62.430 63.200 -0.027 0.000 0.853 430 S HN 0.535 nan 8.310 nan 0.000 0.458 431 Y N 0.694 120.698 120.300 -0.494 0.000 2.200 431 Y HA 0.116 4.663 4.550 -0.006 0.000 0.290 431 Y C 0.804 176.373 175.900 -0.552 0.000 1.137 431 Y CA 1.498 59.246 58.100 -0.587 0.000 1.163 431 Y CB -0.153 37.852 38.460 -0.757 0.000 0.988 431 Y HN 0.341 nan 8.280 nan 0.000 0.518 432 F N 1.606 121.476 119.950 -0.133 0.000 2.798 432 F HA 0.191 4.714 4.527 -0.006 0.000 0.291 432 F C 1.659 177.346 175.800 -0.189 0.000 1.174 432 F CA -0.420 57.476 58.000 -0.174 0.000 1.392 432 F CB -0.354 38.532 39.000 -0.190 0.000 0.966 432 F HN 0.048 nan 8.300 nan 0.000 0.509 433 K N -1.049 119.309 120.400 -0.069 0.000 2.218 433 K HA -0.206 4.110 4.320 -0.006 0.000 0.205 433 K C 0.555 177.140 176.600 -0.024 0.000 1.046 433 K CA 1.914 58.180 56.287 -0.035 0.000 0.933 433 K CB -0.201 32.274 32.500 -0.043 0.000 0.728 433 K HN 0.091 nan 8.250 nan 0.000 0.454 434 D N 0.964 121.341 120.400 -0.037 0.000 2.363 434 D HA 0.016 4.652 4.640 -0.006 0.000 0.226 434 D C 0.371 176.668 176.300 -0.006 0.000 1.020 434 D CA 0.809 54.795 54.000 -0.023 0.000 0.892 434 D CB 0.334 41.111 40.800 -0.037 0.000 0.900 434 D HN 0.323 nan 8.370 nan 0.000 0.531 435 K N -0.232 120.168 120.400 -0.000 0.000 2.706 435 K HA 0.109 4.426 4.320 -0.006 0.000 0.203 435 K C 1.112 177.656 176.600 -0.095 0.000 1.102 435 K CA -0.055 56.210 56.287 -0.037 0.000 1.058 435 K CB 1.497 33.979 32.500 -0.029 0.000 0.779 435 K HN -0.168 nan 8.250 nan 0.000 0.483 436 V N 1.063 120.938 119.914 -0.064 0.000 2.568 436 V HA -0.275 3.842 4.120 -0.006 0.000 0.253 436 V C 1.270 177.359 176.094 -0.008 0.000 1.072 436 V CA 2.139 64.405 62.300 -0.058 0.000 1.084 436 V CB -0.021 31.839 31.823 0.062 0.000 0.676 436 V HN 0.369 nan 8.190 nan 0.000 0.469 437 D N -0.509 119.885 120.400 -0.009 0.000 2.123 437 D HA -0.081 4.555 4.640 -0.006 0.000 0.200 437 D C 2.193 178.481 176.300 -0.021 0.000 0.976 437 D CA 1.545 55.550 54.000 0.008 0.000 0.831 437 D CB -0.073 40.730 40.800 0.004 0.000 0.974 437 D HN 0.437 nan 8.370 nan 0.000 0.469 438 V N 1.710 121.580 119.914 -0.073 0.000 2.295 438 V HA -0.223 3.894 4.120 -0.006 0.000 0.246 438 V C 2.723 178.731 176.094 -0.144 0.000 1.049 438 V CA 1.107 63.333 62.300 -0.124 0.000 1.024 438 V CB -0.514 31.203 31.823 -0.176 0.000 0.648 438 V HN 0.210 nan 8.190 nan 0.000 0.447 439 L N 0.181 121.303 121.223 -0.169 0.000 2.081 439 L HA -0.249 4.087 4.340 -0.006 0.000 0.212 439 L C 2.063 179.043 176.870 0.182 0.000 1.080 439 L CA 2.111 56.881 54.840 -0.117 0.000 0.754 439 L CB -0.819 40.945 42.059 -0.491 0.000 0.893 439 L HN 0.489 nan 8.230 nan 0.000 0.433 440 N N -0.720 118.094 118.700 0.191 0.000 2.515 440 N HA -0.130 4.607 4.740 -0.006 0.000 0.185 440 N C 1.457 177.054 175.510 0.145 0.000 1.109 440 N CA 0.200 53.417 53.050 0.277 0.000 0.903 440 N CB 0.101 38.730 38.487 0.236 0.000 0.969 440 N HN 0.475 nan 8.380 nan 0.000 0.450 441 Q N 0.170 119.998 119.800 0.046 0.000 2.432 441 Q HA 0.091 4.427 4.340 -0.006 0.000 0.205 441 Q C 0.050 176.043 176.000 -0.013 0.000 0.945 441 Q CA 0.208 56.020 55.803 0.016 0.000 0.924 441 Q CB 0.529 29.261 28.738 -0.009 0.000 1.016 441 Q HN 0.118 nan 8.270 nan 0.000 0.503 442 V N 2.530 122.373 119.914 -0.119 0.000 2.585 442 V HA -0.054 4.062 4.120 -0.006 0.000 0.296 442 V C 0.270 176.180 176.094 -0.306 0.000 1.035 442 V CA 0.033 62.146 62.300 -0.311 0.000 1.084 442 V CB 0.812 32.040 31.823 -0.991 0.000 0.953 442 V HN 0.148 nan 8.190 nan 0.000 0.483 443 D N 4.039 124.386 120.400 -0.088 0.000 2.517 443 D HA 0.098 4.734 4.640 -0.006 0.000 0.220 443 D C 0.737 177.095 176.300 0.097 0.000 1.158 443 D CA -0.164 53.852 54.000 0.027 0.000 0.992 443 D CB 0.102 40.926 40.800 0.041 0.000 1.058 443 D HN 0.574 nan 8.370 nan 0.000 0.516 444 W N 2.142 123.604 121.300 0.270 0.000 2.318 444 W HA -0.234 4.421 4.660 -0.008 0.000 0.313 444 W C 2.256 178.894 176.519 0.199 0.000 1.221 444 W CA 0.964 58.457 57.345 0.247 0.000 1.266 444 W CB -0.412 29.188 29.460 0.233 0.000 1.150 444 W HN 0.366 nan 8.180 nan 0.000 0.496 445 N N 0.236 119.201 118.700 0.442 0.000 2.223 445 N HA -0.160 4.576 4.740 -0.006 0.000 0.185 445 N C 1.583 177.250 175.510 0.263 0.000 1.016 445 N CA 1.966 55.266 53.050 0.416 0.000 0.863 445 N CB -0.386 38.297 38.487 0.327 0.000 0.983 445 N HN 0.081 nan 8.380 nan 0.000 0.429 446 A N -0.445 122.462 122.820 0.146 0.000 1.843 446 A HA -0.006 4.311 4.320 -0.006 0.000 0.213 446 A C 2.009 179.553 177.584 -0.066 0.000 1.202 446 A CA 0.952 52.989 52.037 -0.001 0.000 0.607 446 A CB -1.348 17.585 19.000 -0.111 0.000 0.847 446 A HN 0.527 nan 8.150 nan 0.000 0.445 447 W N 0.284 121.526 121.300 -0.098 0.000 2.318 447 W HA -0.181 4.475 4.660 -0.006 0.000 0.313 447 W C 2.121 178.490 176.519 -0.249 0.000 1.221 447 W CA 1.681 58.926 57.345 -0.167 0.000 1.266 447 W CB -0.268 29.087 29.460 -0.174 0.000 1.150 447 W HN 0.243 nan 8.180 nan 0.000 0.496 448 L N -2.558 118.626 121.223 -0.065 0.000 2.162 448 L HA -0.099 4.237 4.340 -0.006 0.000 0.205 448 L C 1.342 177.906 176.870 -0.510 0.000 1.086 448 L CA 0.934 55.479 54.840 -0.492 0.000 0.778 448 L CB -0.553 40.973 42.059 -0.889 0.000 0.928 448 L HN 0.025 nan 8.230 nan 0.000 0.446 449 Y N -1.687 118.667 120.300 0.090 0.000 2.432 449 Y HA 0.270 4.817 4.550 -0.006 0.000 0.252 449 Y C 1.085 177.002 175.900 0.027 0.000 1.097 449 Y CA -0.761 57.378 58.100 0.065 0.000 1.250 449 Y CB 0.186 38.701 38.460 0.091 0.000 1.245 449 Y HN -0.134 nan 8.280 nan 0.000 0.522 450 S N 3.678 119.441 115.700 0.105 0.000 2.585 450 S HA 0.346 4.812 4.470 -0.006 0.000 0.277 450 S C -2.418 172.175 174.600 -0.012 0.000 1.241 450 S CA -1.221 57.002 58.200 0.037 0.000 1.041 450 S CB 1.054 64.249 63.200 -0.009 0.000 0.987 450 S HN -0.035 nan 8.310 nan 0.000 0.512 451 P HA 0.470 nan 4.420 nan 0.000 0.274 451 P C 0.414 177.682 177.300 -0.055 0.000 1.256 451 P CA 0.145 63.233 63.100 -0.020 0.000 0.795 451 P CB 0.238 31.932 31.700 -0.010 0.000 1.038 452 G N -0.534 108.235 108.800 -0.051 0.000 2.685 452 G HA2 -0.156 3.800 3.960 -0.006 0.000 0.387 452 G HA3 -0.156 3.800 3.960 -0.006 0.000 0.387 452 G C -0.789 174.025 174.900 -0.143 0.000 1.324 452 G CA -0.712 44.342 45.100 -0.077 0.000 0.878 452 G HN 0.554 nan 8.290 nan 0.000 0.527 453 L N 1.721 122.844 121.223 -0.167 0.000 2.483 453 L HA 0.265 4.602 4.340 -0.006 0.000 0.276 453 L C -1.223 175.474 176.870 -0.287 0.000 1.213 453 L CA -1.159 53.533 54.840 -0.246 0.000 0.843 453 L CB 0.128 42.076 42.059 -0.186 0.000 1.107 453 L HN 0.460 nan 8.230 nan 0.000 0.487 454 P HA 0.072 nan 4.420 nan 0.000 0.271 454 P C -2.127 174.818 177.300 -0.593 0.000 1.233 454 P CA -1.052 61.587 63.100 -0.768 0.000 0.789 454 P CB -0.122 30.886 31.700 -1.153 0.000 0.951 455 P HA 0.171 nan 4.420 nan 0.000 0.249 455 P C 0.015 177.124 177.300 -0.319 0.000 1.229 455 P CA 1.064 63.902 63.100 -0.437 0.000 0.788 455 P CB 0.576 32.030 31.700 -0.409 0.000 1.072 456 I N -0.348 119.999 120.570 -0.372 0.000 2.656 456 I HA 0.297 4.463 4.170 -0.006 0.000 0.292 456 I C -0.200 175.834 176.117 -0.139 0.000 1.144 456 I CA -1.065 60.097 61.300 -0.230 0.000 1.038 456 I CB 3.410 41.210 38.000 -0.333 0.000 1.244 456 I HN -0.277 nan 8.210 nan 0.000 0.420 457 K N 6.934 127.229 120.400 -0.176 0.000 2.213 457 K HA 0.516 4.832 4.320 -0.006 0.000 0.270 457 K C -2.435 174.002 176.600 -0.271 0.000 1.002 457 K CA -1.345 54.712 56.287 -0.382 0.000 0.868 457 K CB 1.424 33.582 32.500 -0.571 0.000 1.093 457 K HN 0.185 nan 8.250 nan 0.000 0.454 458 P HA 0.002 nan 4.420 nan 0.000 0.273 458 P C -0.988 176.012 177.300 -0.499 0.000 1.258 458 P CA -0.310 62.563 63.100 -0.378 0.000 0.802 458 P CB 0.434 31.840 31.700 -0.491 0.000 1.040 459 N N -0.021 118.376 118.700 -0.505 0.000 2.498 459 N HA 0.248 4.984 4.740 -0.006 0.000 0.287 459 N C -0.885 174.414 175.510 -0.351 0.000 1.097 459 N CA 0.099 52.969 53.050 -0.300 0.000 0.973 459 N CB 0.435 38.821 38.487 -0.168 0.000 1.153 459 N HN 0.375 nan 8.380 nan 0.000 0.472 460 Y N -0.546 119.845 120.300 0.152 0.000 2.373 460 Y HA 0.127 4.673 4.550 -0.007 0.000 0.336 460 Y C 0.002 176.084 175.900 0.304 0.000 0.979 460 Y CA -1.108 57.186 58.100 0.323 0.000 1.080 460 Y CB 1.472 40.041 38.460 0.182 0.000 1.190 460 Y HN 0.467 nan 8.280 nan 0.000 0.446 461 D N 3.212 123.951 120.400 0.566 0.000 2.450 461 D HA 0.044 4.680 4.640 -0.006 0.000 0.247 461 D C 0.546 177.003 176.300 0.261 0.000 1.162 461 D CA 0.452 54.580 54.000 0.213 0.000 0.879 461 D CB 0.797 41.556 40.800 -0.069 0.000 1.163 461 D HN 0.480 nan 8.370 nan 0.000 0.472 462 M N 2.643 122.352 119.600 0.181 0.000 2.371 462 M HA 0.003 4.479 4.480 -0.006 0.000 0.246 462 M C 1.572 177.965 176.300 0.156 0.000 1.103 462 M CA 0.096 55.498 55.300 0.169 0.000 1.010 462 M CB -0.065 32.612 32.600 0.129 0.000 1.457 462 M HN 0.441 nan 8.290 nan 0.000 0.486 463 T N 1.930 116.565 114.554 0.135 0.000 2.624 463 T HA -0.153 4.194 4.350 -0.006 0.000 0.268 463 T C 1.868 176.640 174.700 0.120 0.000 1.041 463 T CA 1.467 63.630 62.100 0.106 0.000 1.159 463 T CB -0.187 68.729 68.868 0.079 0.000 0.863 463 T HN 0.375 nan 8.240 nan 0.000 0.434 464 L N 0.322 121.641 121.223 0.161 0.000 2.341 464 L HA 0.026 4.362 4.340 -0.006 0.000 0.214 464 L C 2.651 179.669 176.870 0.247 0.000 1.115 464 L CA 0.801 55.711 54.840 0.117 0.000 0.820 464 L CB -0.448 41.598 42.059 -0.021 0.000 0.944 464 L HN 0.287 nan 8.230 nan 0.000 0.452 465 T N -1.054 113.714 114.554 0.357 0.000 2.978 465 T HA -0.058 4.288 4.350 -0.006 0.000 0.262 465 T C 1.523 176.354 174.700 0.218 0.000 1.063 465 T CA 0.894 63.204 62.100 0.350 0.000 1.140 465 T CB -0.230 68.770 68.868 0.220 0.000 0.886 465 T HN 0.382 nan 8.240 nan 0.000 0.470 466 N N 1.783 120.582 118.700 0.165 0.000 2.036 466 N HA -0.142 4.595 4.740 -0.006 0.000 0.195 466 N C 2.227 177.815 175.510 0.129 0.000 1.037 466 N CA 1.194 54.321 53.050 0.128 0.000 0.855 466 N CB -0.261 38.286 38.487 0.100 0.000 1.033 466 N HN 0.351 nan 8.380 nan 0.000 0.423 467 A N 0.593 123.485 122.820 0.119 0.000 1.986 467 A HA -0.200 4.116 4.320 -0.006 0.000 0.220 467 A C 2.398 180.067 177.584 0.140 0.000 1.171 467 A CA 1.308 53.408 52.037 0.105 0.000 0.640 467 A CB -0.989 18.053 19.000 0.071 0.000 0.811 467 A HN 0.525 nan 8.150 nan 0.000 0.451 468 C N -0.758 118.657 119.300 0.191 0.000 2.476 468 C HA -0.006 4.450 4.460 -0.006 0.000 0.278 468 C C 2.509 177.673 174.990 0.289 0.000 1.274 468 C CA 0.736 59.913 59.018 0.264 0.000 1.713 468 C CB -1.287 26.631 27.740 0.297 0.000 2.039 468 C HN 0.629 nan 8.230 nan 0.000 0.484 469 I N 1.702 122.400 120.570 0.214 0.000 2.286 469 I HA -0.217 3.949 4.170 -0.006 0.000 0.248 469 I C 2.801 179.037 176.117 0.200 0.000 1.115 469 I CA 1.604 63.015 61.300 0.186 0.000 1.392 469 I CB -0.675 37.406 38.000 0.134 0.000 1.065 469 I HN 0.305 nan 8.210 nan 0.000 0.418 470 A N 0.882 123.809 122.820 0.179 0.000 1.858 470 A HA -0.223 4.093 4.320 -0.006 0.000 0.216 470 A C 2.250 179.967 177.584 0.222 0.000 1.190 470 A CA 1.535 53.671 52.037 0.164 0.000 0.617 470 A CB -0.837 18.236 19.000 0.121 0.000 0.827 470 A HN 0.374 nan 8.150 nan 0.000 0.443 471 L N -0.410 120.965 121.223 0.254 0.000 2.141 471 L HA -0.042 4.294 4.340 -0.006 0.000 0.209 471 L C 2.553 179.801 176.870 0.629 0.000 1.094 471 L CA 2.290 57.329 54.840 0.331 0.000 0.763 471 L CB -0.546 41.572 42.059 0.099 0.000 0.908 471 L HN 0.349 nan 8.230 nan 0.000 0.437 472 S N -1.403 114.677 115.700 0.634 0.000 2.355 472 S HA -0.174 4.292 4.470 -0.006 0.000 0.222 472 S C 1.957 176.804 174.600 0.410 0.000 1.031 472 S CA 0.996 59.547 58.200 0.584 0.000 0.993 472 S CB -0.177 63.214 63.200 0.319 0.000 0.859 472 S HN 0.548 nan 8.310 nan 0.000 0.453 473 Q N 1.007 120.988 119.800 0.302 0.000 2.124 473 Q HA -0.031 4.305 4.340 -0.006 0.000 0.202 473 Q C 2.350 178.499 176.000 0.249 0.000 0.977 473 Q CA 1.211 57.150 55.803 0.228 0.000 0.850 473 Q CB -0.456 28.381 28.738 0.165 0.000 0.901 473 Q HN 0.569 nan 8.270 nan 0.000 0.429 474 R N -0.818 119.852 120.500 0.285 0.000 2.096 474 R HA -0.189 4.147 4.340 -0.006 0.000 0.240 474 R C 2.140 178.627 176.300 0.311 0.000 1.139 474 R CA 1.711 57.972 56.100 0.269 0.000 0.952 474 R CB -0.374 30.106 30.300 0.300 0.000 0.854 474 R HN 0.312 nan 8.270 nan 0.000 0.436 475 W N 0.681 122.157 121.300 0.294 0.000 2.381 475 W HA -0.047 4.609 4.660 -0.006 0.000 0.301 475 W C 2.033 178.687 176.519 0.225 0.000 1.205 475 W CA 0.769 58.184 57.345 0.117 0.000 1.285 475 W CB -0.215 29.276 29.460 0.051 0.000 1.133 475 W HN 0.016 nan 8.180 nan 0.000 0.521 476 I N -0.208 120.602 120.570 0.400 0.000 2.252 476 I HA -0.255 3.912 4.170 -0.006 0.000 0.245 476 I C 2.440 178.691 176.117 0.222 0.000 1.102 476 I CA 1.817 63.280 61.300 0.272 0.000 1.385 476 I CB -0.901 37.208 38.000 0.182 0.000 1.064 476 I HN -0.020 nan 8.210 nan 0.000 0.414 477 T N -0.995 113.677 114.554 0.197 0.000 3.113 477 T HA 0.272 4.619 4.350 -0.006 0.000 0.256 477 T C 0.849 175.639 174.700 0.150 0.000 1.131 477 T CA 0.060 62.246 62.100 0.144 0.000 1.074 477 T CB -0.351 68.580 68.868 0.106 0.000 0.944 477 T HN 0.211 nan 8.240 nan 0.000 0.516 478 A N 1.347 124.290 122.820 0.204 0.000 2.440 478 A HA 0.581 4.898 4.320 -0.006 0.000 0.251 478 A C 0.190 177.900 177.584 0.210 0.000 1.089 478 A CA -0.535 51.585 52.037 0.138 0.000 0.779 478 A CB 0.303 19.348 19.000 0.074 0.000 1.022 478 A HN 0.400 nan 8.150 nan 0.000 0.492 479 K N 0.342 120.802 120.400 0.099 0.000 2.210 479 K HA 0.325 4.642 4.320 -0.006 0.000 0.236 479 K C 1.206 177.845 176.600 0.065 0.000 1.016 479 K CA -0.179 56.181 56.287 0.122 0.000 0.913 479 K CB 0.572 33.110 32.500 0.064 0.000 1.141 479 K HN 0.806 nan 8.250 nan 0.000 0.462 480 E N 0.957 121.210 120.200 0.088 0.000 2.108 480 E HA -0.309 4.037 4.350 -0.006 0.000 0.203 480 E C 0.641 177.231 176.600 -0.018 0.000 1.022 480 E CA 2.248 58.673 56.400 0.042 0.000 0.823 480 E CB -0.004 29.721 29.700 0.041 0.000 0.744 480 E HN 0.662 nan 8.360 nan 0.000 0.456 481 D N -0.589 119.796 120.400 -0.025 0.000 2.336 481 D HA -0.100 4.537 4.640 -0.006 0.000 0.229 481 D C 0.532 176.776 176.300 -0.094 0.000 1.061 481 D CA 0.413 54.383 54.000 -0.051 0.000 0.875 481 D CB 0.015 40.792 40.800 -0.039 0.000 0.904 481 D HN 0.202 nan 8.370 nan 0.000 0.525 482 D N -0.068 120.261 120.400 -0.117 0.000 2.389 482 D HA 0.106 4.742 4.640 -0.006 0.000 0.206 482 D C 2.089 178.211 176.300 -0.296 0.000 1.055 482 D CA -0.064 53.809 54.000 -0.212 0.000 0.856 482 D CB 0.581 41.270 40.800 -0.186 0.000 0.957 482 D HN 0.266 nan 8.370 nan 0.000 0.509 483 L N 0.801 121.922 121.223 -0.170 0.000 2.141 483 L HA -0.123 4.214 4.340 -0.006 0.000 0.209 483 L C 2.126 178.942 176.870 -0.090 0.000 1.094 483 L CA 0.661 55.450 54.840 -0.085 0.000 0.763 483 L CB -0.309 41.709 42.059 -0.068 0.000 0.908 483 L HN -0.037 nan 8.230 nan 0.000 0.437 484 N N 0.059 118.678 118.700 -0.135 0.000 2.272 484 N HA -0.195 4.542 4.740 -0.006 0.000 0.185 484 N C 1.870 177.268 175.510 -0.187 0.000 1.014 484 N CA 1.512 54.487 53.050 -0.125 0.000 0.870 484 N CB 0.048 38.469 38.487 -0.110 0.000 0.975 484 N HN 0.336 nan 8.380 nan 0.000 0.433 485 S N -1.574 113.918 115.700 -0.348 0.000 2.527 485 S HA 0.103 4.569 4.470 -0.006 0.000 0.222 485 S C 0.319 174.618 174.600 -0.501 0.000 0.985 485 S CA -0.307 57.641 58.200 -0.420 0.000 0.921 485 S CB -0.452 62.445 63.200 -0.505 0.000 0.772 485 S HN 0.096 nan 8.310 nan 0.000 0.529 486 F N 3.365 123.163 119.950 -0.253 0.000 2.484 486 F HA 0.484 5.007 4.527 -0.006 0.000 0.360 486 F C 0.894 176.634 175.800 -0.100 0.000 1.101 486 F CA -0.629 57.248 58.000 -0.205 0.000 1.251 486 F CB 0.302 39.077 39.000 -0.375 0.000 1.132 486 F HN 0.226 nan 8.300 nan 0.000 0.570 487 N N 0.946 119.769 118.700 0.205 0.000 2.484 487 N HA 0.328 5.064 4.740 -0.006 0.000 0.269 487 N C 0.256 175.919 175.510 0.255 0.000 1.237 487 N CA -0.099 53.028 53.050 0.130 0.000 0.838 487 N CB 1.984 40.502 38.487 0.052 0.000 1.593 487 N HN 0.574 nan 8.380 nan 0.000 0.485 488 A N 1.208 124.135 122.820 0.179 0.000 2.042 488 A HA -0.191 4.125 4.320 -0.006 0.000 0.222 488 A C 1.756 179.416 177.584 0.127 0.000 1.167 488 A CA 2.655 54.810 52.037 0.197 0.000 0.649 488 A CB -1.135 17.920 19.000 0.092 0.000 0.809 488 A HN 0.838 nan 8.150 nan 0.000 0.457 489 T N -2.862 111.749 114.554 0.094 0.000 3.163 489 T HA -0.044 4.303 4.350 -0.006 0.000 0.260 489 T C 0.937 175.664 174.700 0.045 0.000 1.156 489 T CA 1.038 63.167 62.100 0.048 0.000 1.072 489 T CB -0.295 68.590 68.868 0.029 0.000 0.937 489 T HN 0.410 nan 8.240 nan 0.000 0.528 490 D N 1.872 122.333 120.400 0.101 0.000 2.178 490 D HA 0.021 4.657 4.640 -0.006 0.000 0.202 490 D C 1.846 178.105 176.300 -0.068 0.000 0.974 490 D CA 0.774 54.815 54.000 0.069 0.000 0.841 490 D CB -0.132 40.807 40.800 0.231 0.000 0.953 490 D HN 0.448 nan 8.370 nan 0.000 0.478 491 L N 0.289 121.431 121.223 -0.134 0.000 2.554 491 L HA 0.067 4.403 4.340 -0.006 0.000 0.226 491 L C 2.207 179.024 176.870 -0.088 0.000 1.137 491 L CA 0.060 54.787 54.840 -0.187 0.000 0.863 491 L CB -0.210 41.708 42.059 -0.235 0.000 0.985 491 L HN -0.073 nan 8.230 nan 0.000 0.451 492 K N 1.038 121.409 120.400 -0.049 0.000 2.049 492 K HA -0.232 4.084 4.320 -0.006 0.000 0.219 492 K C 0.703 177.285 176.600 -0.029 0.000 1.056 492 K CA 2.107 58.378 56.287 -0.027 0.000 0.946 492 K CB 0.083 32.575 32.500 -0.014 0.000 0.723 492 K HN 0.303 nan 8.250 nan 0.000 0.453 493 D N 0.106 120.488 120.400 -0.030 0.000 2.525 493 D HA 0.112 4.748 4.640 -0.006 0.000 0.229 493 D C -0.546 175.735 176.300 -0.032 0.000 1.202 493 D CA 0.086 54.070 54.000 -0.026 0.000 0.828 493 D CB 0.333 41.122 40.800 -0.018 0.000 1.008 493 D HN 0.166 nan 8.370 nan 0.000 0.493 494 L N 1.502 122.702 121.223 -0.039 0.000 2.282 494 L HA 0.223 4.559 4.340 -0.006 0.000 0.288 494 L C 1.112 177.966 176.870 -0.027 0.000 1.033 494 L CA -0.627 54.194 54.840 -0.033 0.000 0.807 494 L CB 1.625 43.660 42.059 -0.040 0.000 1.209 494 L HN -0.068 nan 8.230 nan 0.000 0.423 495 S N 0.727 116.411 115.700 -0.027 0.000 2.587 495 S HA 0.012 4.478 4.470 -0.006 0.000 0.260 495 S C 1.337 175.951 174.600 0.024 0.000 1.353 495 S CA -0.129 58.069 58.200 -0.004 0.000 0.995 495 S CB 1.100 64.300 63.200 0.001 0.000 0.912 495 S HN 0.758 nan 8.310 nan 0.000 0.568 496 S N 0.281 115.984 115.700 0.006 0.000 2.400 496 S HA -0.235 4.231 4.470 -0.006 0.000 0.232 496 S C 1.471 176.050 174.600 -0.035 0.000 1.025 496 S CA 1.592 59.761 58.200 -0.052 0.000 0.993 496 S CB -1.171 61.954 63.200 -0.127 0.000 0.808 496 S HN 0.865 nan 8.310 nan 0.000 0.478 497 H N 1.482 120.588 119.070 0.061 0.000 2.353 497 H HA 0.056 4.608 4.556 -0.007 0.000 0.300 497 H C 2.520 178.019 175.328 0.285 0.000 1.090 497 H CA 1.919 58.081 56.048 0.191 0.000 1.327 497 H CB -0.273 29.638 29.762 0.248 0.000 1.383 497 H HN 0.506 nan 8.280 nan 0.000 0.508 498 Q N -0.441 119.518 119.800 0.266 0.000 2.172 498 Q HA -0.080 4.256 4.340 -0.006 0.000 0.200 498 Q C 1.916 178.059 176.000 0.237 0.000 0.964 498 Q CA 0.556 56.520 55.803 0.268 0.000 0.855 498 Q CB 0.045 28.832 28.738 0.080 0.000 0.918 498 Q HN 0.270 nan 8.270 nan 0.000 0.444 499 L N 1.104 122.410 121.223 0.138 0.000 2.046 499 L HA -0.196 4.140 4.340 -0.006 0.000 0.208 499 L C 1.937 178.862 176.870 0.093 0.000 1.077 499 L CA 1.721 56.622 54.840 0.102 0.000 0.747 499 L CB -0.587 41.473 42.059 0.002 0.000 0.896 499 L HN 0.198 nan 8.230 nan 0.000 0.432 500 N N -0.638 118.101 118.700 0.065 0.000 2.120 500 N HA -0.245 4.491 4.740 -0.006 0.000 0.188 500 N C 1.856 177.411 175.510 0.076 0.000 1.024 500 N CA 1.391 54.464 53.050 0.039 0.000 0.852 500 N CB -0.006 38.511 38.487 0.051 0.000 1.003 500 N HN 0.344 nan 8.380 nan 0.000 0.424 501 E N -0.625 119.685 120.200 0.184 0.000 2.152 501 E HA -0.108 4.238 4.350 -0.006 0.000 0.192 501 E C 1.662 178.340 176.600 0.130 0.000 0.983 501 E CA 0.599 57.078 56.400 0.130 0.000 0.818 501 E CB -0.580 29.227 29.700 0.178 0.000 0.758 501 E HN 0.429 nan 8.360 nan 0.000 0.467 502 F N 0.883 120.869 119.950 0.059 0.000 2.065 502 F HA -0.193 4.330 4.527 -0.006 0.000 0.298 502 F C 1.685 177.486 175.800 0.001 0.000 1.112 502 F CA 1.743 59.768 58.000 0.042 0.000 1.212 502 F CB -0.542 38.475 39.000 0.030 0.000 0.975 502 F HN 0.081 nan 8.300 nan 0.000 0.476 503 L N -0.068 120.930 121.223 -0.375 0.000 2.093 503 L HA -0.135 4.201 4.340 -0.006 0.000 0.208 503 L C 2.843 179.524 176.870 -0.316 0.000 1.085 503 L CA 1.084 55.627 54.840 -0.493 0.000 0.755 503 L CB -1.232 40.642 42.059 -0.309 0.000 0.904 503 L HN 0.284 nan 8.230 nan 0.000 0.435 504 A N -0.651 122.059 122.820 -0.182 0.000 1.883 504 A HA -0.243 4.073 4.320 -0.006 0.000 0.217 504 A C 2.272 179.780 177.584 -0.127 0.000 1.186 504 A CA 1.418 53.379 52.037 -0.126 0.000 0.624 504 A CB -0.473 18.482 19.000 -0.075 0.000 0.822 504 A HN 0.369 nan 8.150 nan 0.000 0.444 505 Q N -0.502 119.230 119.800 -0.113 0.000 2.077 505 Q HA -0.159 4.177 4.340 -0.006 0.000 0.206 505 Q C 2.269 178.198 176.000 -0.118 0.000 0.989 505 Q CA 2.298 58.055 55.803 -0.077 0.000 0.853 505 Q CB -1.026 27.707 28.738 -0.007 0.000 0.907 505 Q HN 0.710 nan 8.270 nan 0.000 0.418 506 T N 1.651 116.061 114.554 -0.240 0.000 2.770 506 T HA -0.096 4.251 4.350 -0.006 0.000 0.263 506 T C 1.907 176.499 174.700 -0.179 0.000 1.039 506 T CA 0.746 62.704 62.100 -0.236 0.000 1.142 506 T CB -0.387 68.216 68.868 -0.442 0.000 0.868 506 T HN 0.098 nan 8.240 nan 0.000 0.435 507 L N 1.533 122.633 121.223 -0.206 0.000 2.137 507 L HA -0.185 4.151 4.340 -0.006 0.000 0.213 507 L C 2.339 179.126 176.870 -0.138 0.000 1.085 507 L CA 1.768 56.501 54.840 -0.179 0.000 0.760 507 L CB -0.696 41.242 42.059 -0.201 0.000 0.893 507 L HN 0.300 nan 8.230 nan 0.000 0.434 508 Q N -1.280 118.452 119.800 -0.113 0.000 2.364 508 Q HA -0.150 4.186 4.340 -0.006 0.000 0.207 508 Q C 1.381 177.340 176.000 -0.068 0.000 0.970 508 Q CA 1.031 56.784 55.803 -0.084 0.000 0.888 508 Q CB 0.097 28.798 28.738 -0.062 0.000 0.951 508 Q HN 0.377 nan 8.270 nan 0.000 0.469 509 R N -0.707 119.753 120.500 -0.067 0.000 2.472 509 R HA 0.271 4.607 4.340 -0.006 0.000 0.279 509 R C -0.310 175.951 176.300 -0.064 0.000 0.953 509 R CA 0.010 56.081 56.100 -0.048 0.000 1.088 509 R CB 0.676 30.964 30.300 -0.020 0.000 1.197 509 R HN 0.043 nan 8.270 nan 0.000 0.536 510 A N 2.377 125.143 122.820 -0.091 0.000 2.483 510 A HA 0.323 4.639 4.320 -0.006 0.000 0.238 510 A C -1.818 175.705 177.584 -0.102 0.000 1.070 510 A CA -0.779 51.192 52.037 -0.110 0.000 0.770 510 A CB -0.305 18.610 19.000 -0.142 0.000 1.008 510 A HN 0.034 nan 8.150 nan 0.000 0.497 511 P HA 0.510 nan 4.420 nan 0.000 0.276 511 P C -0.970 176.259 177.300 -0.118 0.000 1.244 511 P CA -0.377 62.645 63.100 -0.129 0.000 0.801 511 P CB 0.665 32.282 31.700 -0.138 0.000 1.006 512 L N 2.542 123.687 121.223 -0.129 0.000 2.332 512 L HA 0.552 4.888 4.340 -0.006 0.000 0.269 512 L C -2.149 174.599 176.870 -0.203 0.000 1.016 512 L CA -2.150 52.601 54.840 -0.148 0.000 0.809 512 L CB 0.436 42.450 42.059 -0.076 0.000 1.280 512 L HN 0.283 nan 8.230 nan 0.000 0.447 513 P HA 0.024 nan 4.420 nan 0.000 0.269 513 P C 0.562 177.760 177.300 -0.169 0.000 1.215 513 P CA -0.380 62.566 63.100 -0.256 0.000 0.780 513 P CB 0.493 31.991 31.700 -0.336 0.000 0.898 514 L N 3.089 124.222 121.223 -0.150 0.000 2.079 514 L HA -0.108 4.228 4.340 -0.006 0.000 0.210 514 L C 2.163 178.905 176.870 -0.212 0.000 1.081 514 L CA 2.554 57.272 54.840 -0.203 0.000 0.752 514 L CB -1.664 40.290 42.059 -0.175 0.000 0.896 514 L HN 0.549 nan 8.230 nan 0.000 0.433 515 G N -2.196 106.559 108.800 -0.076 0.000 2.418 515 G HA2 -0.302 3.655 3.960 -0.006 0.000 0.217 515 G HA3 -0.302 3.655 3.960 -0.006 0.000 0.217 515 G C 1.334 176.296 174.900 0.104 0.000 1.158 515 G CA 0.955 46.053 45.100 -0.004 0.000 0.771 515 G HN 0.520 nan 8.290 nan 0.000 0.545 516 H N 0.640 119.716 119.070 0.010 0.000 2.289 516 H HA -0.070 4.482 4.556 -0.006 0.000 0.296 516 H C 2.666 178.010 175.328 0.027 0.000 1.091 516 H CA 1.243 57.386 56.048 0.159 0.000 1.274 516 H CB -0.325 29.560 29.762 0.206 0.000 1.364 516 H HN 0.210 nan 8.280 nan 0.000 0.490 517 I N 1.004 121.583 120.570 0.014 0.000 2.179 517 I HA -0.222 3.944 4.170 -0.006 0.000 0.242 517 I C 2.074 178.051 176.117 -0.234 0.000 1.088 517 I CA 1.289 62.531 61.300 -0.096 0.000 1.357 517 I CB -0.973 36.920 38.000 -0.177 0.000 1.051 517 I HN 0.238 nan 8.210 nan 0.000 0.409 518 K N 0.187 120.264 120.400 -0.539 0.000 2.063 518 K HA -0.227 4.089 4.320 -0.006 0.000 0.208 518 K C 2.244 178.742 176.600 -0.169 0.000 1.048 518 K CA 1.522 57.453 56.287 -0.594 0.000 0.928 518 K CB -0.199 31.978 32.500 -0.539 0.000 0.713 518 K HN 0.073 nan 8.250 nan 0.000 0.442 519 R N 1.197 121.660 120.500 -0.063 0.000 2.092 519 R HA -0.003 4.333 4.340 -0.006 0.000 0.231 519 R C 2.124 178.408 176.300 -0.025 0.000 1.119 519 R CA 1.248 57.366 56.100 0.030 0.000 0.970 519 R CB -0.258 30.127 30.300 0.142 0.000 0.864 519 R HN 0.151 nan 8.270 nan 0.000 0.440 520 M N 0.021 119.526 119.600 -0.159 0.000 2.108 520 M HA -0.231 4.245 4.480 -0.006 0.000 0.261 520 M C 2.084 178.132 176.300 -0.420 0.000 1.066 520 M CA 2.140 57.119 55.300 -0.536 0.000 1.107 520 M CB -0.094 32.161 32.600 -0.574 0.000 1.356 520 M HN 0.223 nan 8.290 nan 0.000 0.406 521 Q N 0.536 120.301 119.800 -0.059 0.000 2.167 521 Q HA -0.220 4.116 4.340 -0.006 0.000 0.202 521 Q C 1.637 177.612 176.000 -0.042 0.000 0.970 521 Q CA 2.179 58.000 55.803 0.030 0.000 0.855 521 Q CB -0.314 28.776 28.738 0.588 0.000 0.911 521 Q HN 0.654 nan 8.270 nan 0.000 0.438 522 E N -0.868 119.312 120.200 -0.034 0.000 2.085 522 E HA -0.165 4.181 4.350 -0.006 0.000 0.194 522 E C 1.567 178.111 176.600 -0.094 0.000 0.994 522 E CA 1.953 58.334 56.400 -0.031 0.000 0.801 522 E CB 0.101 29.793 29.700 -0.015 0.000 0.743 522 E HN 0.398 nan 8.360 nan 0.000 0.453 523 V N -2.375 117.414 119.914 -0.209 0.000 3.431 523 V HA 0.076 4.192 4.120 -0.006 0.000 0.253 523 V C 1.198 177.171 176.094 -0.201 0.000 1.184 523 V CA 0.318 62.482 62.300 -0.227 0.000 1.104 523 V CB -0.297 31.357 31.823 -0.281 0.000 0.799 523 V HN 0.173 nan 8.190 nan 0.000 0.462 524 Y N 0.579 120.657 120.300 -0.370 0.000 2.445 524 Y HA 0.406 4.952 4.550 -0.007 0.000 0.247 524 Y C 1.184 176.726 175.900 -0.597 0.000 1.129 524 Y CA -1.074 56.657 58.100 -0.615 0.000 1.251 524 Y CB -1.107 36.581 38.460 -1.286 0.000 1.176 524 Y HN 0.447 nan 8.280 nan 0.000 0.522 525 N N 0.877 119.403 118.700 -0.290 0.000 2.696 525 N HA -0.256 4.480 4.740 -0.006 0.000 0.271 525 N C -0.105 175.288 175.510 -0.194 0.000 0.997 525 N CA -0.168 52.775 53.050 -0.178 0.000 0.801 525 N CB -0.748 37.699 38.487 -0.066 0.000 0.913 525 N HN 0.086 nan 8.380 nan 0.000 0.557 526 F N 0.551 120.233 119.950 -0.446 0.000 2.451 526 F HA -0.011 4.512 4.527 -0.006 0.000 0.299 526 F C 2.123 177.630 175.800 -0.487 0.000 1.101 526 F CA 0.426 57.977 58.000 -0.747 0.000 1.436 526 F CB -0.337 37.618 39.000 -1.742 0.000 1.074 526 F HN 0.318 nan 8.300 nan 0.000 0.553 527 N N 0.252 118.952 118.700 0.001 0.000 2.443 527 N HA -0.106 4.630 4.740 -0.006 0.000 0.184 527 N C 1.893 177.455 175.510 0.087 0.000 1.037 527 N CA 1.054 54.215 53.050 0.185 0.000 0.896 527 N CB -0.299 38.313 38.487 0.209 0.000 0.959 527 N HN 0.255 nan 8.380 nan 0.000 0.442 528 A N 0.011 122.854 122.820 0.039 0.000 2.195 528 A HA 0.199 4.516 4.320 -0.006 0.000 0.210 528 A C 0.909 178.506 177.584 0.021 0.000 1.165 528 A CA -0.209 51.844 52.037 0.027 0.000 0.806 528 A CB 0.077 19.086 19.000 0.015 0.000 0.847 528 A HN 0.114 nan 8.150 nan 0.000 0.482 529 I N 1.383 121.966 120.570 0.021 0.000 2.533 529 I HA 0.022 4.188 4.170 -0.006 0.000 0.284 529 I C 0.388 176.503 176.117 -0.003 0.000 1.109 529 I CA -0.257 61.045 61.300 0.003 0.000 1.412 529 I CB 0.684 38.672 38.000 -0.020 0.000 1.396 529 I HN 0.232 nan 8.210 nan 0.000 0.543 530 N N 3.851 122.544 118.700 -0.010 0.000 2.322 530 N HA -0.033 4.703 4.740 -0.006 0.000 0.181 530 N C 0.573 176.068 175.510 -0.026 0.000 1.088 530 N CA 0.156 53.198 53.050 -0.013 0.000 0.885 530 N CB 0.036 38.518 38.487 -0.008 0.000 1.013 530 N HN 0.557 nan 8.380 nan 0.000 0.472 531 N N 1.986 120.667 118.700 -0.033 0.000 2.365 531 N HA -0.079 4.657 4.740 -0.006 0.000 0.265 531 N C 1.206 176.677 175.510 -0.065 0.000 1.288 531 N CA 0.258 53.284 53.050 -0.040 0.000 0.869 531 N CB 0.757 39.212 38.487 -0.054 0.000 1.071 531 N HN 0.156 nan 8.380 nan 0.000 0.480 532 S N 3.334 118.994 115.700 -0.066 0.000 2.406 532 S HA -0.055 4.411 4.470 -0.006 0.000 0.228 532 S C 1.250 175.665 174.600 -0.309 0.000 1.020 532 S CA 0.501 58.584 58.200 -0.194 0.000 0.965 532 S CB 0.024 63.152 63.200 -0.120 0.000 0.798 532 S HN 0.596 nan 8.310 nan 0.000 0.488 533 E N 1.622 121.776 120.200 -0.078 0.000 2.047 533 E HA -0.015 4.331 4.350 -0.006 0.000 0.191 533 E C 2.165 178.774 176.600 0.015 0.000 0.987 533 E CA 1.226 57.643 56.400 0.027 0.000 0.799 533 E CB -0.402 29.360 29.700 0.103 0.000 0.752 533 E HN 0.609 nan 8.360 nan 0.000 0.449 534 I N 0.624 121.163 120.570 -0.051 0.000 2.179 534 I HA -0.257 3.910 4.170 -0.006 0.000 0.242 534 I C 2.832 178.904 176.117 -0.076 0.000 1.088 534 I CA 1.023 62.261 61.300 -0.103 0.000 1.357 534 I CB -0.311 37.590 38.000 -0.165 0.000 1.051 534 I HN 0.019 nan 8.210 nan 0.000 0.409 535 R N 0.770 121.234 120.500 -0.059 0.000 2.081 535 R HA -0.237 4.099 4.340 -0.006 0.000 0.235 535 R C 2.435 178.742 176.300 0.011 0.000 1.131 535 R CA 1.708 57.818 56.100 0.016 0.000 0.960 535 R CB -0.452 29.837 30.300 -0.018 0.000 0.856 535 R HN 0.220 nan 8.270 nan 0.000 0.436 536 F N 1.455 121.239 119.950 -0.277 0.000 2.043 536 F HA -0.272 4.251 4.527 -0.007 0.000 0.297 536 F C 2.145 177.856 175.800 -0.149 0.000 1.118 536 F CA 2.038 59.860 58.000 -0.296 0.000 1.202 536 F CB -0.359 38.340 39.000 -0.501 0.000 0.965 536 F HN -0.061 nan 8.300 nan 0.000 0.482 537 R N -0.420 119.918 120.500 -0.270 0.000 2.096 537 R HA -0.238 4.098 4.340 -0.006 0.000 0.235 537 R C 2.404 178.562 176.300 -0.236 0.000 1.127 537 R CA 1.765 57.646 56.100 -0.366 0.000 0.968 537 R CB -1.094 29.101 30.300 -0.175 0.000 0.861 537 R HN 0.694 nan 8.270 nan 0.000 0.440 538 W N 1.435 122.551 121.300 -0.306 0.000 2.355 538 W HA -0.190 4.467 4.660 -0.006 0.000 0.309 538 W C 1.310 177.730 176.519 -0.165 0.000 1.206 538 W CA 1.204 58.418 57.345 -0.219 0.000 1.284 538 W CB -0.195 29.153 29.460 -0.187 0.000 1.145 538 W HN 0.077 nan 8.180 nan 0.000 0.502 539 L N 0.634 121.632 121.223 -0.376 0.000 2.093 539 L HA -0.199 4.138 4.340 -0.006 0.000 0.208 539 L C 2.911 179.514 176.870 -0.446 0.000 1.085 539 L CA 1.215 55.759 54.840 -0.494 0.000 0.755 539 L CB -0.882 41.003 42.059 -0.290 0.000 0.904 539 L HN -0.050 nan 8.230 nan 0.000 0.435 540 R N -0.124 120.110 120.500 -0.444 0.000 2.082 540 R HA -0.220 4.117 4.340 -0.006 0.000 0.234 540 R C 2.245 178.328 176.300 -0.363 0.000 1.136 540 R CA 1.602 57.447 56.100 -0.424 0.000 0.935 540 R CB -0.791 29.166 30.300 -0.572 0.000 0.842 540 R HN 0.166 nan 8.270 nan 0.000 0.430 541 L N 1.087 122.098 121.223 -0.353 0.000 1.997 541 L HA -0.271 4.065 4.340 -0.006 0.000 0.216 541 L C 2.343 179.009 176.870 -0.339 0.000 1.074 541 L CA 1.789 56.451 54.840 -0.296 0.000 0.763 541 L CB -0.764 41.169 42.059 -0.210 0.000 0.890 541 L HN 0.260 nan 8.230 nan 0.000 0.434 542 C N -0.525 118.477 119.300 -0.497 0.000 2.413 542 C HA -0.177 4.279 4.460 -0.006 0.000 0.276 542 C C 2.702 177.517 174.990 -0.290 0.000 1.248 542 C CA 0.684 59.460 59.018 -0.402 0.000 1.742 542 C CB -1.082 26.297 27.740 -0.600 0.000 2.017 542 C HN 0.587 nan 8.230 nan 0.000 0.481 543 I N 0.666 121.039 120.570 -0.327 0.000 2.353 543 I HA -0.130 4.037 4.170 -0.006 0.000 0.248 543 I C 2.495 178.345 176.117 -0.445 0.000 1.119 543 I CA 1.565 62.670 61.300 -0.324 0.000 1.417 543 I CB -1.423 36.457 38.000 -0.201 0.000 1.078 543 I HN 0.522 nan 8.210 nan 0.000 0.421 544 Q N -0.041 119.559 119.800 -0.333 0.000 2.311 544 Q HA -0.018 4.318 4.340 -0.006 0.000 0.203 544 Q C 1.725 177.542 176.000 -0.304 0.000 0.954 544 Q CA 1.004 56.630 55.803 -0.295 0.000 0.885 544 Q CB -0.030 28.578 28.738 -0.217 0.000 0.963 544 Q HN 0.344 nan 8.270 nan 0.000 0.471 545 S N 0.605 116.127 115.700 -0.297 0.000 2.634 545 S HA 0.098 4.565 4.470 -0.006 0.000 0.221 545 S C -0.106 174.321 174.600 -0.290 0.000 0.952 545 S CA -0.066 57.982 58.200 -0.252 0.000 0.930 545 S CB 0.156 63.237 63.200 -0.199 0.000 0.780 545 S HN 0.273 nan 8.310 nan 0.000 0.498 546 K N -0.113 119.983 120.400 -0.508 0.000 3.192 546 K HA -0.161 4.156 4.320 -0.006 0.000 0.278 546 K C -0.863 175.635 176.600 -0.170 0.000 1.164 546 K CA 0.465 56.320 56.287 -0.719 0.000 0.816 546 K CB -1.626 30.643 32.500 -0.384 0.000 1.256 546 K HN 0.498 nan 8.250 nan 0.000 0.497 547 W N 3.043 124.163 121.300 -0.300 0.000 2.416 547 W HA 0.161 4.817 4.660 -0.007 0.000 0.318 547 W C 1.011 177.549 176.519 0.031 0.000 1.150 547 W CA -0.613 56.669 57.345 -0.106 0.000 1.392 547 W CB 0.018 29.383 29.460 -0.158 0.000 1.311 547 W HN 0.128 nan 8.180 nan 0.000 0.436 548 E N 2.000 122.445 120.200 0.408 0.000 2.160 548 E HA -0.250 4.096 4.350 -0.006 0.000 0.195 548 E C 1.157 177.721 176.600 -0.061 0.000 0.991 548 E CA 1.672 58.210 56.400 0.230 0.000 0.810 548 E CB 0.275 30.095 29.700 0.199 0.000 0.742 548 E HN 0.392 nan 8.360 nan 0.000 0.466 549 D N 0.558 120.754 120.400 -0.340 0.000 2.182 549 D HA -0.147 4.490 4.640 -0.006 0.000 0.201 549 D C 1.732 177.697 176.300 -0.559 0.000 0.986 549 D CA 1.240 54.910 54.000 -0.551 0.000 0.847 549 D CB -0.216 40.041 40.800 -0.906 0.000 0.942 549 D HN 0.199 nan 8.370 nan 0.000 0.467 550 A N 0.090 122.541 122.820 -0.615 0.000 2.119 550 A HA -0.056 4.260 4.320 -0.006 0.000 0.217 550 A C 2.162 179.613 177.584 -0.221 0.000 1.153 550 A CA 0.363 52.148 52.037 -0.420 0.000 0.692 550 A CB -0.568 18.190 19.000 -0.404 0.000 0.799 550 A HN 0.190 nan 8.150 nan 0.000 0.458 551 I N 0.802 121.297 120.570 -0.126 0.000 2.069 551 I HA -0.201 3.965 4.170 -0.006 0.000 0.237 551 I C -0.193 175.863 176.117 -0.101 0.000 1.053 551 I CA 1.814 63.074 61.300 -0.067 0.000 1.311 551 I CB -1.300 36.686 38.000 -0.023 0.000 1.030 551 I HN 0.233 nan 8.210 nan 0.000 0.398 552 P HA -0.178 nan 4.420 nan 0.000 0.216 552 P C 1.931 179.169 177.300 -0.104 0.000 1.150 552 P CA 1.753 64.798 63.100 -0.091 0.000 0.843 552 P CB -0.128 31.524 31.700 -0.080 0.000 0.787 553 L N -0.779 120.368 121.223 -0.128 0.000 2.056 553 L HA -0.093 4.243 4.340 -0.006 0.000 0.207 553 L C 2.764 179.559 176.870 -0.125 0.000 1.078 553 L CA 1.619 56.389 54.840 -0.117 0.000 0.749 553 L CB -1.215 40.768 42.059 -0.126 0.000 0.901 553 L HN -0.048 nan 8.230 nan 0.000 0.433 554 A N -0.052 122.676 122.820 -0.154 0.000 1.970 554 A HA -0.055 4.261 4.320 -0.006 0.000 0.216 554 A C 2.260 179.719 177.584 -0.207 0.000 1.170 554 A CA 0.873 52.809 52.037 -0.169 0.000 0.645 554 A CB -0.470 18.422 19.000 -0.179 0.000 0.816 554 A HN 0.312 nan 8.150 nan 0.000 0.447 555 L N -0.498 120.608 121.223 -0.195 0.000 2.046 555 L HA -0.202 4.134 4.340 -0.006 0.000 0.208 555 L C 2.603 179.351 176.870 -0.202 0.000 1.077 555 L CA 1.942 56.642 54.840 -0.234 0.000 0.747 555 L CB -0.347 41.627 42.059 -0.142 0.000 0.896 555 L HN 0.488 nan 8.230 nan 0.000 0.432 556 K N 0.407 120.727 120.400 -0.133 0.000 1.985 556 K HA -0.252 4.064 4.320 -0.006 0.000 0.210 556 K C 2.263 178.806 176.600 -0.096 0.000 1.047 556 K CA 1.789 58.019 56.287 -0.094 0.000 0.932 556 K CB -0.176 32.286 32.500 -0.064 0.000 0.716 556 K HN 0.101 nan 8.250 nan 0.000 0.439 557 M N 0.374 119.917 119.600 -0.095 0.000 2.149 557 M HA -0.164 4.312 4.480 -0.006 0.000 0.261 557 M C 1.968 178.225 176.300 -0.072 0.000 1.064 557 M CA 1.918 57.175 55.300 -0.071 0.000 1.102 557 M CB -0.150 32.407 32.600 -0.072 0.000 1.369 557 M HN 0.317 nan 8.290 nan 0.000 0.408 558 A N -0.490 122.235 122.820 -0.160 0.000 2.019 558 A HA -0.163 4.153 4.320 -0.006 0.000 0.219 558 A C 2.047 179.580 177.584 -0.085 0.000 1.164 558 A CA 2.195 54.106 52.037 -0.210 0.000 0.644 558 A CB -0.976 17.616 19.000 -0.679 0.000 0.805 558 A HN 0.725 nan 8.150 nan 0.000 0.449 559 T N -4.637 109.842 114.554 -0.124 0.000 2.969 559 T HA 0.208 4.555 4.350 -0.006 0.000 0.250 559 T C 1.424 176.089 174.700 -0.059 0.000 1.021 559 T CA 0.642 62.666 62.100 -0.128 0.000 1.003 559 T CB 0.062 68.677 68.868 -0.421 0.000 1.040 559 T HN 0.442 nan 8.240 nan 0.000 0.492 560 E N 1.148 121.329 120.200 -0.032 0.000 2.274 560 E HA 0.017 4.363 4.350 -0.006 0.000 0.194 560 E C 0.625 177.250 176.600 0.041 0.000 0.996 560 E CA 0.649 57.057 56.400 0.013 0.000 0.840 560 E CB 0.191 29.894 29.700 0.006 0.000 0.772 560 E HN 0.748 nan 8.360 nan 0.000 0.491 561 Q N -2.277 117.553 119.800 0.050 0.000 2.528 561 Q HA 0.547 4.883 4.340 -0.006 0.000 0.289 561 Q C 0.061 176.111 176.000 0.084 0.000 1.091 561 Q CA -0.819 55.031 55.803 0.077 0.000 0.797 561 Q CB 1.313 30.110 28.738 0.099 0.000 1.466 561 Q HN -0.057 nan 8.270 nan 0.000 0.436 562 G N -0.030 108.811 108.800 0.069 0.000 4.424 562 G HA2 0.144 4.100 3.960 -0.006 0.000 0.287 562 G HA3 0.144 4.100 3.960 -0.006 0.000 0.287 562 G C -0.692 174.159 174.900 -0.081 0.000 1.023 562 G CA -0.629 44.492 45.100 0.035 0.000 0.790 562 G HN 0.456 nan 8.290 nan 0.000 0.468 563 R N 1.049 121.491 120.500 -0.095 0.000 2.446 563 R HA 0.164 4.500 4.340 -0.006 0.000 0.314 563 R C 1.752 177.841 176.300 -0.353 0.000 1.003 563 R CA -0.213 55.708 56.100 -0.299 0.000 1.018 563 R CB 0.178 30.239 30.300 -0.398 0.000 0.945 563 R HN 0.199 nan 8.270 nan 0.000 0.419 564 M N 3.458 122.800 119.600 -0.429 0.000 2.144 564 M HA -0.291 4.186 4.480 -0.006 0.000 0.260 564 M C 1.988 178.128 176.300 -0.267 0.000 1.067 564 M CA 1.866 56.979 55.300 -0.313 0.000 1.095 564 M CB -0.418 31.962 32.600 -0.367 0.000 1.365 564 M HN 0.636 nan 8.290 nan 0.000 0.406 565 K N 0.177 120.324 120.400 -0.421 0.000 2.127 565 K HA -0.206 4.110 4.320 -0.006 0.000 0.208 565 K C 1.504 177.780 176.600 -0.541 0.000 1.047 565 K CA 1.742 57.720 56.287 -0.515 0.000 0.927 565 K CB 0.025 32.025 32.500 -0.833 0.000 0.716 565 K HN 0.176 nan 8.250 nan 0.000 0.450 566 F N -0.429 119.237 119.950 -0.472 0.000 2.315 566 F HA 0.072 4.595 4.527 -0.006 0.000 0.284 566 F C 2.540 178.324 175.800 -0.026 0.000 1.049 566 F CA 0.620 58.333 58.000 -0.479 0.000 1.323 566 F CB -1.046 37.731 39.000 -0.373 0.000 1.113 566 F HN -0.102 nan 8.300 nan 0.000 0.544 567 T N 0.611 115.263 114.554 0.163 0.000 2.746 567 T HA -0.139 4.207 4.350 -0.006 0.000 0.267 567 T C 2.170 177.026 174.700 0.259 0.000 1.039 567 T CA 1.399 63.614 62.100 0.192 0.000 1.142 567 T CB -0.185 68.789 68.868 0.177 0.000 0.866 567 T HN 0.097 nan 8.240 nan 0.000 0.444 568 R N 0.667 121.258 120.500 0.152 0.000 2.070 568 R HA -0.062 4.274 4.340 -0.006 0.000 0.233 568 R C -0.538 175.858 176.300 0.160 0.000 1.137 568 R CA 1.579 57.760 56.100 0.134 0.000 0.945 568 R CB -1.219 29.101 30.300 0.034 0.000 0.845 568 R HN 0.355 nan 8.270 nan 0.000 0.430 569 P HA -0.061 nan 4.420 nan 0.000 0.222 569 P C 1.026 178.406 177.300 0.134 0.000 1.153 569 P CA 1.024 64.222 63.100 0.163 0.000 0.798 569 P CB 0.030 31.881 31.700 0.252 0.000 0.796 570 L N -2.422 118.907 121.223 0.177 0.000 2.056 570 L HA -0.148 4.188 4.340 -0.006 0.000 0.207 570 L C 2.323 179.166 176.870 -0.046 0.000 1.078 570 L CA 1.406 56.258 54.840 0.020 0.000 0.749 570 L CB -1.007 41.040 42.059 -0.021 0.000 0.901 570 L HN -0.111 nan 8.230 nan 0.000 0.433 571 F N 0.654 120.614 119.950 0.015 0.000 2.095 571 F HA -0.248 4.275 4.527 -0.006 0.000 0.298 571 F C 2.602 178.385 175.800 -0.029 0.000 1.104 571 F CA 1.537 59.525 58.000 -0.020 0.000 1.232 571 F CB -0.440 38.531 39.000 -0.048 0.000 0.987 571 F HN -0.085 nan 8.300 nan 0.000 0.475 572 K N -0.027 120.471 120.400 0.162 0.000 2.020 572 K HA -0.225 4.091 4.320 -0.006 0.000 0.212 572 K C 1.779 178.417 176.600 0.062 0.000 1.050 572 K CA 1.964 58.299 56.287 0.079 0.000 0.929 572 K CB -0.459 32.063 32.500 0.036 0.000 0.714 572 K HN 0.158 nan 8.250 nan 0.000 0.443 573 D N 0.841 121.259 120.400 0.029 0.000 2.123 573 D HA -0.154 4.482 4.640 -0.006 0.000 0.196 573 D C 1.930 178.266 176.300 0.060 0.000 0.992 573 D CA 1.002 55.004 54.000 0.002 0.000 0.833 573 D CB -0.235 40.522 40.800 -0.071 0.000 0.954 573 D HN 0.113 nan 8.370 nan 0.000 0.455 574 L N 0.325 121.580 121.223 0.054 0.000 2.083 574 L HA -0.143 4.193 4.340 -0.006 0.000 0.209 574 L C 2.390 179.335 176.870 0.126 0.000 1.083 574 L CA 1.180 56.072 54.840 0.086 0.000 0.752 574 L CB -0.304 41.751 42.059 -0.006 0.000 0.899 574 L HN -0.004 nan 8.230 nan 0.000 0.433 575 A N -0.453 122.439 122.820 0.120 0.000 1.968 575 A HA -0.000 4.316 4.320 -0.006 0.000 0.217 575 A C 2.392 180.143 177.584 0.278 0.000 1.169 575 A CA 1.313 53.441 52.037 0.150 0.000 0.638 575 A CB -0.472 18.585 19.000 0.095 0.000 0.812 575 A HN 0.373 nan 8.150 nan 0.000 0.446 576 A N -1.519 121.414 122.820 0.187 0.000 2.123 576 A HA 0.276 4.592 4.320 -0.006 0.000 0.214 576 A C 0.630 178.342 177.584 0.214 0.000 1.152 576 A CA 0.095 52.226 52.037 0.157 0.000 0.728 576 A CB -0.304 18.745 19.000 0.083 0.000 0.814 576 A HN 0.453 nan 8.150 nan 0.000 0.464 577 F N 2.567 122.542 119.950 0.042 0.000 2.413 577 F HA 0.294 4.817 4.527 -0.007 0.000 0.359 577 F C 0.948 176.780 175.800 0.054 0.000 1.122 577 F CA -1.903 56.111 58.000 0.024 0.000 1.160 577 F CB 0.547 39.547 39.000 -0.001 0.000 1.146 577 F HN 0.325 nan 8.300 nan 0.000 0.514 578 D N 3.881 124.336 120.400 0.091 0.000 2.158 578 D HA -0.249 4.387 4.640 -0.006 0.000 0.197 578 D C 1.273 177.413 176.300 -0.266 0.000 0.995 578 D CA 1.462 55.414 54.000 -0.079 0.000 0.846 578 D CB -0.176 40.602 40.800 -0.036 0.000 0.941 578 D HN 0.417 nan 8.370 nan 0.000 0.456 579 K N -0.064 119.904 120.400 -0.719 0.000 2.288 579 K HA 0.035 4.351 4.320 -0.006 0.000 0.201 579 K C 1.991 178.300 176.600 -0.485 0.000 1.048 579 K CA 1.150 57.032 56.287 -0.675 0.000 0.956 579 K CB 0.064 31.978 32.500 -0.977 0.000 0.746 579 K HN 0.451 nan 8.250 nan 0.000 0.461 580 S N -1.123 114.294 115.700 -0.471 0.000 2.526 580 S HA 0.004 4.470 4.470 -0.006 0.000 0.220 580 S C 1.674 176.244 174.600 -0.049 0.000 1.017 580 S CA -0.349 57.737 58.200 -0.190 0.000 0.930 580 S CB -0.249 62.897 63.200 -0.090 0.000 0.856 580 S HN 0.265 nan 8.310 nan 0.000 0.497 581 H N 2.616 121.630 119.070 -0.093 0.000 2.272 581 H HA -0.196 4.356 4.556 -0.007 0.000 0.289 581 H C 0.995 176.328 175.328 0.008 0.000 1.100 581 H CA 2.632 58.671 56.048 -0.016 0.000 1.209 581 H CB -0.451 29.300 29.762 -0.019 0.000 1.348 581 H HN 0.365 nan 8.280 nan 0.000 0.481 582 D N 0.231 120.663 120.400 0.053 0.000 2.117 582 D HA -0.114 4.522 4.640 -0.006 0.000 0.198 582 D C 2.554 178.843 176.300 -0.018 0.000 0.982 582 D CA 0.987 55.001 54.000 0.025 0.000 0.828 582 D CB -0.398 40.447 40.800 0.075 0.000 0.967 582 D HN 0.545 nan 8.370 nan 0.000 0.464 583 Q N 0.379 120.172 119.800 -0.012 0.000 2.170 583 Q HA -0.061 4.275 4.340 -0.006 0.000 0.203 583 Q C 2.152 178.180 176.000 0.047 0.000 0.976 583 Q CA 1.429 57.239 55.803 0.011 0.000 0.858 583 Q CB -0.116 28.619 28.738 -0.005 0.000 0.907 583 Q HN 0.237 nan 8.270 nan 0.000 0.433 584 A N 0.618 123.451 122.820 0.021 0.000 1.851 584 A HA -0.190 4.126 4.320 -0.006 0.000 0.216 584 A C 2.340 180.025 177.584 0.170 0.000 1.195 584 A CA 1.854 53.967 52.037 0.127 0.000 0.622 584 A CB -1.235 17.811 19.000 0.077 0.000 0.831 584 A HN 0.358 nan 8.150 nan 0.000 0.444 585 V N -0.488 119.413 119.914 -0.021 0.000 2.343 585 V HA -0.230 3.886 4.120 -0.006 0.000 0.247 585 V C 2.352 178.513 176.094 0.112 0.000 1.051 585 V CA 2.600 64.921 62.300 0.035 0.000 1.036 585 V CB -0.904 30.890 31.823 -0.048 0.000 0.654 585 V HN 0.601 nan 8.190 nan 0.000 0.451 586 R N 0.120 120.664 120.500 0.072 0.000 2.080 586 R HA -0.156 4.180 4.340 -0.006 0.000 0.236 586 R C 2.412 178.783 176.300 0.119 0.000 1.137 586 R CA 2.541 58.686 56.100 0.074 0.000 0.943 586 R CB -0.836 29.494 30.300 0.052 0.000 0.846 586 R HN 0.638 nan 8.270 nan 0.000 0.431 587 T N 0.140 114.809 114.554 0.191 0.000 2.788 587 T HA -0.193 4.153 4.350 -0.006 0.000 0.268 587 T C 1.308 176.221 174.700 0.354 0.000 1.044 587 T CA 1.458 63.734 62.100 0.293 0.000 1.139 587 T CB -0.490 68.559 68.868 0.301 0.000 0.867 587 T HN 0.394 nan 8.240 nan 0.000 0.454 588 Y N 2.087 122.486 120.300 0.165 0.000 2.097 588 Y HA -0.223 4.324 4.550 -0.006 0.000 0.282 588 Y C 2.443 178.344 175.900 0.001 0.000 1.152 588 Y CA 1.505 59.565 58.100 -0.067 0.000 1.136 588 Y CB -0.624 37.631 38.460 -0.341 0.000 0.975 588 Y HN 0.206 nan 8.280 nan 0.000 0.498 589 Q N -0.095 119.563 119.800 -0.236 0.000 2.170 589 Q HA -0.171 4.165 4.340 -0.006 0.000 0.203 589 Q C 1.887 177.767 176.000 -0.201 0.000 0.976 589 Q CA 1.759 57.374 55.803 -0.314 0.000 0.858 589 Q CB -0.083 28.581 28.738 -0.124 0.000 0.907 589 Q HN 0.661 nan 8.270 nan 0.000 0.433 590 E N -1.088 119.062 120.200 -0.083 0.000 2.435 590 E HA -0.096 4.250 4.350 -0.006 0.000 0.195 590 E C 0.862 177.340 176.600 -0.205 0.000 1.029 590 E CA 0.546 56.880 56.400 -0.111 0.000 0.865 590 E CB 0.223 29.880 29.700 -0.071 0.000 0.833 590 E HN 0.476 nan 8.360 nan 0.000 0.510 591 H N -0.122 118.894 119.070 -0.090 0.000 2.788 591 H HA 0.129 4.681 4.556 -0.007 0.000 0.262 591 H C 1.757 177.023 175.328 -0.104 0.000 0.968 591 H CA 0.295 56.318 56.048 -0.043 0.000 1.218 591 H CB 0.481 30.278 29.762 0.058 0.000 1.443 591 H HN -0.099 nan 8.280 nan 0.000 0.478 592 K N 1.194 121.488 120.400 -0.177 0.000 2.097 592 K HA -0.284 4.032 4.320 -0.006 0.000 0.214 592 K C 2.072 178.600 176.600 -0.120 0.000 1.052 592 K CA 1.739 57.852 56.287 -0.290 0.000 0.932 592 K CB -0.211 31.916 32.500 -0.621 0.000 0.716 592 K HN 0.297 nan 8.250 nan 0.000 0.455 593 A N 0.322 123.079 122.820 -0.104 0.000 1.969 593 A HA -0.095 4.221 4.320 -0.006 0.000 0.218 593 A C 1.832 179.408 177.584 -0.014 0.000 1.169 593 A CA 1.837 53.840 52.037 -0.058 0.000 0.635 593 A CB -0.311 18.652 19.000 -0.061 0.000 0.810 593 A HN 0.521 nan 8.150 nan 0.000 0.445 594 S N -1.386 114.319 115.700 0.008 0.000 2.597 594 S HA 0.484 4.950 4.470 -0.006 0.000 0.224 594 S C 0.419 175.075 174.600 0.093 0.000 0.955 594 S CA -0.343 57.888 58.200 0.052 0.000 0.933 594 S CB -0.262 62.971 63.200 0.055 0.000 0.788 594 S HN 0.452 nan 8.310 nan 0.000 0.488 595 M N 1.736 121.385 119.600 0.081 0.000 2.471 595 M HA 0.306 4.782 4.480 -0.006 0.000 0.309 595 M C 0.494 176.856 176.300 0.103 0.000 1.186 595 M CA -0.664 54.707 55.300 0.118 0.000 1.008 595 M CB 0.703 33.374 32.600 0.119 0.000 1.551 595 M HN 0.255 nan 8.290 nan 0.000 0.477 596 H N 3.313 122.411 119.070 0.047 0.000 2.928 596 H HA 0.054 4.606 4.556 -0.007 0.000 0.338 596 H C -1.798 173.524 175.328 -0.010 0.000 1.047 596 H CA -0.657 55.398 56.048 0.012 0.000 1.435 596 H CB 1.000 30.772 29.762 0.016 0.000 1.428 596 H HN 0.339 nan 8.280 nan 0.000 0.590 597 P HA -0.139 nan 4.420 nan 0.000 0.221 597 P C 1.379 178.689 177.300 0.015 0.000 1.145 597 P CA 0.663 63.700 63.100 -0.106 0.000 0.795 597 P CB 0.447 32.038 31.700 -0.183 0.000 0.775 598 V N -0.229 119.781 119.914 0.161 0.000 2.500 598 V HA -0.104 4.013 4.120 -0.006 0.000 0.243 598 V C 2.535 178.665 176.094 0.059 0.000 1.039 598 V CA 2.080 64.445 62.300 0.108 0.000 1.053 598 V CB -1.714 30.156 31.823 0.078 0.000 0.695 598 V HN 0.125 nan 8.190 nan 0.000 0.463 599 T N 1.040 115.636 114.554 0.071 0.000 2.720 599 T HA -0.206 4.141 4.350 -0.006 0.000 0.268 599 T C 2.107 176.832 174.700 0.043 0.000 1.037 599 T CA 1.767 63.870 62.100 0.005 0.000 1.144 599 T CB -0.460 68.409 68.868 0.002 0.000 0.864 599 T HN 0.537 nan 8.240 nan 0.000 0.444 600 A N 2.176 125.054 122.820 0.097 0.000 1.865 600 A HA -0.109 4.207 4.320 -0.006 0.000 0.217 600 A C 2.326 179.998 177.584 0.148 0.000 1.191 600 A CA 1.832 53.967 52.037 0.164 0.000 0.623 600 A CB -0.802 18.267 19.000 0.114 0.000 0.826 600 A HN 0.388 nan 8.150 nan 0.000 0.444 601 M N -0.244 119.406 119.600 0.082 0.000 2.082 601 M HA -0.156 4.320 4.480 -0.006 0.000 0.258 601 M C 2.141 178.443 176.300 0.004 0.000 1.071 601 M CA 1.969 57.302 55.300 0.055 0.000 1.103 601 M CB -0.807 31.822 32.600 0.048 0.000 1.307 601 M HN 0.442 nan 8.290 nan 0.000 0.409 602 L N -0.664 120.550 121.223 -0.014 0.000 2.056 602 L HA -0.194 4.142 4.340 -0.006 0.000 0.207 602 L C 2.430 179.233 176.870 -0.112 0.000 1.078 602 L CA 0.723 55.538 54.840 -0.041 0.000 0.749 602 L CB -0.750 41.292 42.059 -0.028 0.000 0.901 602 L HN 0.136 nan 8.230 nan 0.000 0.433 603 V N 0.287 120.095 119.914 -0.176 0.000 2.295 603 V HA -0.229 3.887 4.120 -0.006 0.000 0.246 603 V C 2.662 178.384 176.094 -0.620 0.000 1.049 603 V CA 2.048 64.117 62.300 -0.385 0.000 1.024 603 V CB -1.335 30.181 31.823 -0.512 0.000 0.648 603 V HN 0.575 nan 8.190 nan 0.000 0.447 604 G N -0.286 108.150 108.800 -0.607 0.000 2.476 604 G HA2 -0.307 3.649 3.960 -0.006 0.000 0.218 604 G HA3 -0.307 3.649 3.960 -0.006 0.000 0.218 604 G C 1.675 176.443 174.900 -0.220 0.000 1.164 604 G CA 1.187 46.012 45.100 -0.459 0.000 0.768 604 G HN 0.475 nan 8.290 nan 0.000 0.560 605 K N 0.132 120.460 120.400 -0.121 0.000 2.057 605 K HA -0.069 4.247 4.320 -0.006 0.000 0.207 605 K C 2.229 178.784 176.600 -0.076 0.000 1.049 605 K CA 1.333 57.584 56.287 -0.060 0.000 0.931 605 K CB -0.117 32.373 32.500 -0.017 0.000 0.714 605 K HN 0.129 nan 8.250 nan 0.000 0.440 606 D N 0.778 121.110 120.400 -0.113 0.000 2.149 606 D HA -0.148 4.488 4.640 -0.006 0.000 0.198 606 D C 1.607 177.853 176.300 -0.091 0.000 0.990 606 D CA 1.122 55.069 54.000 -0.087 0.000 0.839 606 D CB -0.013 40.729 40.800 -0.096 0.000 0.948 606 D HN 0.178 nan 8.370 nan 0.000 0.460 607 L N -0.459 120.662 121.223 -0.170 0.000 2.558 607 L HA 0.109 4.446 4.340 -0.006 0.000 0.225 607 L C 0.220 177.056 176.870 -0.056 0.000 1.128 607 L CA -0.005 54.755 54.840 -0.134 0.000 0.868 607 L CB -0.159 41.740 42.059 -0.267 0.000 1.006 607 L HN -0.084 nan 8.230 nan 0.000 0.454 608 K N 0.420 120.789 120.400 -0.050 0.000 3.244 608 K HA -0.143 4.173 4.320 -0.006 0.000 0.270 608 K C -0.459 176.147 176.600 0.010 0.000 1.016 608 K CA 0.481 56.765 56.287 -0.005 0.000 0.754 608 K CB -1.636 30.877 32.500 0.022 0.000 1.326 608 K HN 0.325 nan 8.250 nan 0.000 0.465 609 V N 0.000 119.914 119.914 -0.000 0.000 2.409 609 V HA 0.000 4.116 4.120 -0.006 0.000 0.244 609 V CA 0.000 62.335 62.300 0.058 0.000 1.235 609 V CB 0.000 31.898 31.823 0.126 0.000 1.184 609 V HN 0.000 nan 8.190 nan 0.000 0.556