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 2wxy_1_C DATA FIRST_RESID 2 DATA SEQUENCE RVYIHPFHLL YHNKSXXXXX XXXXXXTLPE STFEPVPIQA KTSPVNEKTL DATA SEQUENCE HDQLVLAAEK LEDEDRKRAA QVAMITNFVG FRMYKMLNEA GSGASGAILS DATA SEQUENCE PPALFGTLVS FYLGSLDPTA SQLQTLLDVP VKEGDCTSRL DGHKVLAALR DATA SEQUENCE AVQGLLVTXX XXXXXXPLLQ SIVVGLFTAP GFRLKHSFVQ SLALFTPALF DATA SEQUENCE PRSLDLSTDP VLATEKINRF IKAVTGWKMN LPLEGVSTDS TLLFNTYVHF DATA SEQUENCE QGTMRGFSQL PGVHEFWVDN SISVSVPMIS GTGNFQHWSD AQNNFSVTCV DATA SEQUENCE PLGERATLLL IQPHCISDLD RVEALIFQXD LLTWIENPPP RAIRLTLPQL DATA SEQUENCE EIRGSYNLQD LLAEDKLPTL LGAEANLNNI GDTNPRVGEV LNSILLELKA DATA SEQUENCE GEEEQXXXXX XXXXXPEALD VTLSSPFLFA IYEQDSGTLH FLGRVNNPQ 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.271 176.300 -0.049 0.000 0.893 2 R CA 0.000 56.072 56.100 -0.047 0.000 0.921 2 R CB 0.000 30.319 30.300 0.032 0.000 0.687 3 V N 0.892 120.734 119.914 -0.120 0.000 2.716 3 V HA 0.541 4.660 4.120 -0.003 0.000 0.304 3 V C -0.503 175.474 176.094 -0.194 0.000 1.053 3 V CA -0.360 61.930 62.300 -0.017 0.000 0.984 3 V CB 1.385 33.257 31.823 0.082 0.000 1.021 3 V HN 0.141 nan 8.190 nan 0.000 0.467 4 Y N 2.190 122.540 120.300 0.084 0.000 2.441 4 Y HA 0.593 5.141 4.550 -0.003 0.000 0.334 4 Y C -0.248 175.531 175.900 -0.202 0.000 1.061 4 Y CA -0.619 57.430 58.100 -0.086 0.000 1.032 4 Y CB 1.829 40.201 38.460 -0.146 0.000 1.266 4 Y HN 0.444 nan 8.280 nan 0.000 0.441 5 I N 4.068 124.553 120.570 -0.143 0.000 2.392 5 I HA 0.307 4.475 4.170 -0.003 0.000 0.295 5 I C -0.380 175.541 176.117 -0.327 0.000 0.985 5 I CA -0.608 60.558 61.300 -0.222 0.000 1.221 5 I CB 0.942 38.743 38.000 -0.332 0.000 1.366 5 I HN 0.577 nan 8.210 nan 0.000 0.467 6 H N 6.416 125.496 119.070 0.017 0.000 2.418 6 H HA 0.248 4.803 4.556 -0.002 0.000 0.238 6 H C -2.255 173.103 175.328 0.051 0.000 1.403 6 H CA -1.523 54.549 56.048 0.040 0.000 1.419 6 H CB 0.360 30.147 29.762 0.041 0.000 1.463 6 H HN 0.360 nan 8.280 nan 0.000 0.515 7 P HA -0.001 nan 4.420 nan 0.000 0.232 7 P C 0.814 178.184 177.300 0.116 0.000 1.814 7 P CA -0.304 62.845 63.100 0.083 0.000 1.085 7 P CB -0.459 31.238 31.700 -0.005 0.000 1.901 8 F N 3.354 123.303 119.950 -0.002 0.000 2.120 8 F HA -0.241 4.284 4.527 -0.003 0.000 0.300 8 F C 1.930 177.727 175.800 -0.004 0.000 1.095 8 F CA 1.775 59.752 58.000 -0.038 0.000 1.249 8 F CB -0.353 38.540 39.000 -0.177 0.000 0.995 8 F HN 0.322 nan 8.300 nan 0.000 0.480 9 H N -0.054 119.074 119.070 0.097 0.000 2.559 9 H HA 0.074 4.629 4.556 -0.003 0.000 0.273 9 H C 1.808 177.065 175.328 -0.118 0.000 1.000 9 H CA 1.135 57.184 56.048 0.001 0.000 1.195 9 H CB -0.159 29.657 29.762 0.089 0.000 1.368 9 H HN 0.356 nan 8.280 nan 0.000 0.592 10 L N 0.770 121.956 121.223 -0.061 0.000 2.640 10 L HA 0.195 4.533 4.340 -0.003 0.000 0.230 10 L C 0.320 177.022 176.870 -0.279 0.000 1.123 10 L CA 0.037 54.794 54.840 -0.137 0.000 0.900 10 L CB 0.351 42.369 42.059 -0.069 0.000 1.146 10 L HN -0.009 nan 8.230 nan 0.000 0.484 11 L N -1.340 119.645 121.223 -0.398 0.000 2.399 11 L HA 0.321 4.659 4.340 -0.003 0.000 0.265 11 L C -0.303 176.145 176.870 -0.704 0.000 1.089 11 L CA -0.936 53.639 54.840 -0.442 0.000 0.802 11 L CB 0.409 42.296 42.059 -0.287 0.000 1.180 11 L HN -0.130 nan 8.230 nan 0.000 0.454 12 Y N -0.284 119.798 120.300 -0.363 0.000 2.497 12 Y HA 0.004 4.552 4.550 -0.003 0.000 0.334 12 Y C 0.996 176.686 175.900 -0.351 0.000 1.199 12 Y CA 0.467 58.375 58.100 -0.319 0.000 1.425 12 Y CB 0.316 38.704 38.460 -0.120 0.000 1.291 12 Y HN 0.475 nan 8.280 nan 0.000 0.562 13 H N -0.628 118.501 119.070 0.097 0.000 3.017 13 H HA 0.131 4.685 4.556 -0.003 0.000 0.255 13 H C -0.252 175.114 175.328 0.064 0.000 0.990 13 H CA -0.136 55.929 56.048 0.030 0.000 1.205 13 H CB 0.623 30.366 29.762 -0.033 0.000 1.460 13 H HN 0.505 nan 8.280 nan 0.000 0.478 14 N N 1.053 119.857 118.700 0.173 0.000 2.354 14 N HA 0.087 4.825 4.740 -0.003 0.000 0.287 14 N C -1.096 174.446 175.510 0.053 0.000 1.016 14 N CA -0.647 52.467 53.050 0.106 0.000 0.871 14 N CB 1.809 40.350 38.487 0.090 0.000 1.299 14 N HN 0.023 nan 8.380 nan 0.000 0.482 15 K N 1.498 121.919 120.400 0.034 0.000 2.034 15 K HA 0.124 4.442 4.320 -0.003 0.000 0.225 15 K C -0.274 176.317 176.600 -0.014 0.000 1.190 15 K CA 0.054 56.338 56.287 -0.004 0.000 1.152 15 K CB -0.385 32.118 32.500 0.004 0.000 1.300 15 K HN 0.815 nan 8.250 nan 0.000 0.268 29 L N 3.179 124.406 121.223 0.006 0.000 2.464 29 L HA 0.419 4.758 4.340 -0.003 0.000 0.264 29 L C -1.579 175.295 176.870 0.006 0.000 1.199 29 L CA -1.771 53.071 54.840 0.004 0.000 0.818 29 L CB -0.070 41.991 42.059 0.003 0.000 1.102 29 L HN 0.395 nan 8.230 nan 0.000 0.473 30 P HA 0.010 nan 4.420 nan 0.000 0.266 30 P C -0.532 176.775 177.300 0.012 0.000 1.195 30 P CA -0.124 62.977 63.100 0.003 0.000 0.768 30 P CB 0.356 32.055 31.700 -0.002 0.000 0.838 31 E N 1.380 121.590 120.200 0.017 0.000 2.384 31 E HA 0.103 4.451 4.350 -0.003 0.000 0.266 31 E C -0.121 176.503 176.600 0.040 0.000 1.012 31 E CA 0.292 56.716 56.400 0.039 0.000 0.901 31 E CB 0.555 30.281 29.700 0.043 0.000 0.967 31 E HN 0.350 nan 8.360 nan 0.000 0.435 32 S N 1.620 117.359 115.700 0.064 0.000 2.601 32 S HA 0.388 4.856 4.470 -0.003 0.000 0.271 32 S C 0.259 174.929 174.600 0.116 0.000 1.305 32 S CA -0.521 57.717 58.200 0.064 0.000 1.022 32 S CB 1.123 64.339 63.200 0.027 0.000 0.940 32 S HN 0.629 nan 8.310 nan 0.000 0.525 33 T N -0.301 114.314 114.554 0.102 0.000 2.864 33 T HA 0.807 5.155 4.350 -0.003 0.000 0.299 33 T C -0.927 173.891 174.700 0.197 0.000 1.166 33 T CA -0.915 61.246 62.100 0.103 0.000 1.007 33 T CB 1.173 70.016 68.868 -0.042 0.000 1.219 33 T HN 0.540 nan 8.240 nan 0.000 0.506 34 F N -1.384 118.576 119.950 0.017 0.000 2.650 34 F HA 0.834 5.360 4.527 -0.002 0.000 0.320 34 F C -0.768 175.038 175.800 0.010 0.000 1.091 34 F CA -1.339 56.669 58.000 0.014 0.000 0.962 34 F CB 1.607 40.625 39.000 0.030 0.000 1.363 34 F HN 0.790 nan 8.300 nan 0.000 0.482 35 E N 2.489 122.727 120.200 0.065 0.000 2.133 35 E HA 0.440 4.788 4.350 -0.003 0.000 0.274 35 E C -2.623 174.073 176.600 0.161 0.000 0.930 35 E CA -2.437 53.945 56.400 -0.029 0.000 0.770 35 E CB 1.332 31.043 29.700 0.019 0.000 1.104 35 E HN 0.394 nan 8.360 nan 0.000 0.403 36 P HA -0.081 nan 4.420 nan 0.000 0.267 36 P C -0.397 176.999 177.300 0.160 0.000 1.200 36 P CA -0.206 63.033 63.100 0.232 0.000 0.772 36 P CB 0.394 32.162 31.700 0.112 0.000 0.855 37 V N 0.742 120.749 119.914 0.154 0.000 2.924 37 V HA 0.344 4.462 4.120 -0.003 0.000 0.305 37 V C -2.333 173.793 176.094 0.053 0.000 1.073 37 V CA -2.095 60.261 62.300 0.093 0.000 1.098 37 V CB -0.469 31.404 31.823 0.083 0.000 1.000 37 V HN 0.390 nan 8.190 nan 0.000 0.484 38 P HA 0.175 nan 4.420 nan 0.000 0.268 38 P C 0.874 178.157 177.300 -0.029 0.000 1.208 38 P CA 0.058 63.164 63.100 0.010 0.000 0.777 38 P CB 0.470 32.178 31.700 0.012 0.000 0.875 39 I N 1.221 121.750 120.570 -0.068 0.000 2.567 39 I HA -0.299 3.869 4.170 -0.003 0.000 0.257 39 I C 1.507 177.567 176.117 -0.095 0.000 1.184 39 I CA 1.557 62.748 61.300 -0.181 0.000 1.451 39 I CB 0.048 37.928 38.000 -0.201 0.000 1.089 39 I HN 0.307 nan 8.210 nan 0.000 0.441 40 Q N 1.177 120.960 119.800 -0.029 0.000 2.291 40 Q HA 0.128 4.466 4.340 -0.003 0.000 0.205 40 Q C 0.906 176.924 176.000 0.031 0.000 0.970 40 Q CA 0.783 56.592 55.803 0.009 0.000 0.876 40 Q CB -0.371 28.369 28.738 0.005 0.000 0.935 40 Q HN 0.568 nan 8.270 nan 0.000 0.455 41 A N 1.205 124.044 122.820 0.031 0.000 2.511 41 A HA 0.072 4.390 4.320 -0.003 0.000 0.242 41 A C -0.041 177.586 177.584 0.071 0.000 1.069 41 A CA -0.212 51.853 52.037 0.047 0.000 0.763 41 A CB 0.082 19.111 19.000 0.049 0.000 1.001 41 A HN 0.149 nan 8.150 nan 0.000 0.498 42 K N 1.449 121.881 120.400 0.053 0.000 2.412 42 K HA 0.282 4.600 4.320 -0.003 0.000 0.281 42 K C -0.696 175.940 176.600 0.060 0.000 1.027 42 K CA 0.528 56.843 56.287 0.046 0.000 0.989 42 K CB 0.242 32.757 32.500 0.025 0.000 0.935 42 K HN 0.712 nan 8.250 nan 0.000 0.475 43 T N 2.189 116.774 114.554 0.052 0.000 2.886 43 T HA 0.194 4.542 4.350 -0.003 0.000 0.292 43 T C -0.840 173.855 174.700 -0.007 0.000 1.012 43 T CA -0.728 61.408 62.100 0.061 0.000 0.982 43 T CB 1.713 70.645 68.868 0.108 0.000 1.018 43 T HN 0.464 nan 8.240 nan 0.000 0.451 44 S N 4.234 119.945 115.700 0.017 0.000 2.576 44 S HA 0.377 4.846 4.470 -0.003 0.000 0.276 44 S C -1.932 172.638 174.600 -0.050 0.000 1.339 44 S CA -0.886 57.306 58.200 -0.014 0.000 1.039 44 S CB 0.134 63.340 63.200 0.011 0.000 0.902 44 S HN 0.546 nan 8.310 nan 0.000 0.516 45 P HA 0.151 nan 4.420 nan 0.000 0.272 45 P C -0.598 176.655 177.300 -0.078 0.000 1.223 45 P CA -0.441 62.564 63.100 -0.159 0.000 0.784 45 P CB 0.309 31.908 31.700 -0.168 0.000 0.923 46 V N 3.173 123.028 119.914 -0.098 0.000 2.617 46 V HA -0.065 4.053 4.120 -0.003 0.000 0.304 46 V C 1.217 177.305 176.094 -0.010 0.000 1.040 46 V CA 0.383 62.677 62.300 -0.009 0.000 1.149 46 V CB -0.589 31.203 31.823 -0.052 0.000 0.914 46 V HN 0.626 nan 8.190 nan 0.000 0.487 47 N N 4.289 123.008 118.700 0.032 0.000 2.462 47 N HA 0.147 4.885 4.740 -0.003 0.000 0.242 47 N C 0.928 176.492 175.510 0.090 0.000 1.010 47 N CA -0.161 52.917 53.050 0.047 0.000 0.939 47 N CB 1.207 39.715 38.487 0.034 0.000 1.127 47 N HN 0.699 nan 8.380 nan 0.000 0.509 48 E N 2.530 122.808 120.200 0.130 0.000 2.106 48 E HA -0.180 4.169 4.350 -0.003 0.000 0.192 48 E C 1.310 177.995 176.600 0.143 0.000 0.984 48 E CA 0.846 57.357 56.400 0.185 0.000 0.806 48 E CB 0.283 30.140 29.700 0.261 0.000 0.750 48 E HN 0.593 nan 8.360 nan 0.000 0.458 49 K N 0.717 121.173 120.400 0.093 0.000 2.032 49 K HA -0.160 4.158 4.320 -0.003 0.000 0.209 49 K C 2.089 178.758 176.600 0.115 0.000 1.048 49 K CA 1.736 58.070 56.287 0.078 0.000 0.927 49 K CB -0.058 32.462 32.500 0.033 0.000 0.712 49 K HN 0.015 nan 8.250 nan 0.000 0.441 50 T N 1.998 116.602 114.554 0.083 0.000 2.652 50 T HA -0.157 4.192 4.350 -0.003 0.000 0.267 50 T C 1.799 176.543 174.700 0.073 0.000 1.039 50 T CA 1.296 63.436 62.100 0.066 0.000 1.153 50 T CB -0.233 68.661 68.868 0.043 0.000 0.863 50 T HN 0.068 nan 8.240 nan 0.000 0.428 51 L N 0.911 122.185 121.223 0.086 0.000 2.021 51 L HA -0.173 4.165 4.340 -0.003 0.000 0.215 51 L C 2.411 179.334 176.870 0.088 0.000 1.074 51 L CA 1.786 56.675 54.840 0.082 0.000 0.760 51 L CB -0.980 41.147 42.059 0.114 0.000 0.889 51 L HN 0.473 nan 8.230 nan 0.000 0.433 52 H N -0.508 118.583 119.070 0.035 0.000 2.353 52 H HA -0.144 4.410 4.556 -0.003 0.000 0.300 52 H C 1.564 176.901 175.328 0.015 0.000 1.090 52 H CA 1.847 57.908 56.048 0.022 0.000 1.327 52 H CB 0.208 29.977 29.762 0.011 0.000 1.383 52 H HN 0.356 nan 8.280 nan 0.000 0.508 53 D N 0.598 121.058 120.400 0.099 0.000 2.144 53 D HA -0.121 4.517 4.640 -0.003 0.000 0.200 53 D C 2.402 178.685 176.300 -0.029 0.000 0.978 53 D CA 0.666 54.689 54.000 0.039 0.000 0.833 53 D CB -0.223 40.627 40.800 0.083 0.000 0.961 53 D HN 0.542 nan 8.370 nan 0.000 0.470 54 Q N 0.212 120.003 119.800 -0.015 0.000 2.030 54 Q HA -0.093 4.245 4.340 -0.003 0.000 0.204 54 Q C 2.557 178.530 176.000 -0.046 0.000 0.986 54 Q CA 0.802 56.592 55.803 -0.023 0.000 0.843 54 Q CB -0.208 28.524 28.738 -0.010 0.000 0.904 54 Q HN 0.287 nan 8.270 nan 0.000 0.420 55 L N 0.053 121.236 121.223 -0.067 0.000 2.043 55 L HA -0.223 4.115 4.340 -0.003 0.000 0.212 55 L C 2.370 179.174 176.870 -0.111 0.000 1.075 55 L CA 0.843 55.636 54.840 -0.078 0.000 0.752 55 L CB -0.417 41.590 42.059 -0.085 0.000 0.891 55 L HN 0.122 nan 8.230 nan 0.000 0.432 56 V N -0.166 119.637 119.914 -0.186 0.000 2.427 56 V HA -0.267 3.851 4.120 -0.003 0.000 0.248 56 V C 2.318 178.366 176.094 -0.076 0.000 1.051 56 V CA 1.425 63.628 62.300 -0.162 0.000 1.048 56 V CB -0.235 31.457 31.823 -0.218 0.000 0.666 56 V HN 0.340 nan 8.190 nan 0.000 0.456 57 L N -0.023 121.166 121.223 -0.056 0.000 2.005 57 L HA -0.132 4.206 4.340 -0.003 0.000 0.207 57 L C 2.794 179.649 176.870 -0.024 0.000 1.072 57 L CA 1.587 56.409 54.840 -0.030 0.000 0.744 57 L CB -0.903 41.143 42.059 -0.021 0.000 0.895 57 L HN 0.351 nan 8.230 nan 0.000 0.433 58 A N 0.150 122.955 122.820 -0.025 0.000 1.958 58 A HA -0.265 4.053 4.320 -0.003 0.000 0.221 58 A C 2.433 180.009 177.584 -0.013 0.000 1.178 58 A CA 2.106 54.134 52.037 -0.015 0.000 0.642 58 A CB -0.686 18.308 19.000 -0.009 0.000 0.816 58 A HN 0.463 nan 8.150 nan 0.000 0.453 59 A N -0.950 121.857 122.820 -0.021 0.000 2.016 59 A HA -0.016 4.303 4.320 -0.003 0.000 0.217 59 A C 1.857 179.432 177.584 -0.015 0.000 1.162 59 A CA 1.266 53.293 52.037 -0.017 0.000 0.662 59 A CB -0.303 18.682 19.000 -0.025 0.000 0.812 59 A HN 0.619 nan 8.150 nan 0.000 0.450 60 E N -0.017 120.173 120.200 -0.017 0.000 2.285 60 E HA -0.079 4.270 4.350 -0.003 0.000 0.194 60 E C 0.474 177.070 176.600 -0.007 0.000 0.997 60 E CA 0.857 57.250 56.400 -0.011 0.000 0.845 60 E CB 0.027 29.720 29.700 -0.011 0.000 0.782 60 E HN 0.746 nan 8.360 nan 0.000 0.491 61 K N 0.932 121.327 120.400 -0.008 0.000 3.045 61 K HA 0.284 4.602 4.320 -0.003 0.000 0.214 61 K C -0.522 176.075 176.600 -0.005 0.000 1.213 61 K CA -0.151 56.133 56.287 -0.005 0.000 1.111 61 K CB 0.236 32.733 32.500 -0.005 0.000 1.454 61 K HN -0.067 nan 8.250 nan 0.000 0.498 62 L N 1.742 122.961 121.223 -0.006 0.000 2.275 62 L HA 0.336 4.675 4.340 -0.003 0.000 0.288 62 L C 0.161 177.025 176.870 -0.009 0.000 1.046 62 L CA -0.768 54.067 54.840 -0.008 0.000 0.805 62 L CB 1.423 43.477 42.059 -0.009 0.000 1.193 62 L HN 0.403 nan 8.230 nan 0.000 0.426 63 E N 1.470 121.664 120.200 -0.010 0.000 2.312 63 E HA 0.030 4.379 4.350 -0.003 0.000 0.259 63 E C 0.534 177.122 176.600 -0.021 0.000 1.122 63 E CA -0.274 56.119 56.400 -0.012 0.000 0.922 63 E CB 0.853 30.548 29.700 -0.008 0.000 1.109 63 E HN 0.464 nan 8.360 nan 0.000 0.442 64 D N 1.062 121.449 120.400 -0.022 0.000 2.133 64 D HA -0.195 4.443 4.640 -0.003 0.000 0.192 64 D C 1.283 177.545 176.300 -0.062 0.000 1.001 64 D CA 1.077 55.056 54.000 -0.035 0.000 0.844 64 D CB 0.243 41.026 40.800 -0.027 0.000 0.944 64 D HN 0.453 nan 8.370 nan 0.000 0.447 65 E N 0.861 121.026 120.200 -0.058 0.000 2.070 65 E HA -0.161 4.187 4.350 -0.003 0.000 0.197 65 E C 1.679 178.225 176.600 -0.092 0.000 1.004 65 E CA 0.872 57.218 56.400 -0.089 0.000 0.805 65 E CB -0.182 29.498 29.700 -0.033 0.000 0.744 65 E HN 0.426 nan 8.360 nan 0.000 0.451 66 D N -0.089 120.281 120.400 -0.049 0.000 2.117 66 D HA -0.151 4.487 4.640 -0.003 0.000 0.197 66 D C 2.079 178.353 176.300 -0.043 0.000 0.987 66 D CA 0.732 54.712 54.000 -0.035 0.000 0.829 66 D CB -0.214 40.575 40.800 -0.018 0.000 0.961 66 D HN 0.148 nan 8.370 nan 0.000 0.460 67 R N 0.817 121.288 120.500 -0.048 0.000 2.096 67 R HA -0.068 4.270 4.340 -0.003 0.000 0.235 67 R C 2.321 178.583 176.300 -0.064 0.000 1.127 67 R CA 0.907 56.979 56.100 -0.046 0.000 0.968 67 R CB 0.051 30.328 30.300 -0.037 0.000 0.861 67 R HN 0.168 nan 8.270 nan 0.000 0.440 68 K N 0.112 120.445 120.400 -0.112 0.000 2.057 68 K HA -0.113 4.205 4.320 -0.003 0.000 0.206 68 K C 2.155 178.695 176.600 -0.101 0.000 1.050 68 K CA 1.244 57.435 56.287 -0.159 0.000 0.935 68 K CB -0.054 32.208 32.500 -0.398 0.000 0.715 68 K HN 0.116 nan 8.250 nan 0.000 0.439 69 R N 0.456 120.902 120.500 -0.090 0.000 2.096 69 R HA -0.091 4.248 4.340 -0.003 0.000 0.235 69 R C 2.385 178.676 176.300 -0.014 0.000 1.127 69 R CA 1.279 57.372 56.100 -0.012 0.000 0.968 69 R CB -0.370 29.927 30.300 -0.004 0.000 0.861 69 R HN 0.185 nan 8.270 nan 0.000 0.440 70 A N 1.246 124.050 122.820 -0.026 0.000 1.933 70 A HA -0.082 4.236 4.320 -0.003 0.000 0.218 70 A C 2.355 179.912 177.584 -0.045 0.000 1.175 70 A CA 1.611 53.631 52.037 -0.029 0.000 0.628 70 A CB -0.544 18.442 19.000 -0.023 0.000 0.814 70 A HN 0.392 nan 8.150 nan 0.000 0.444 71 A N -0.745 122.052 122.820 -0.039 0.000 1.930 71 A HA -0.163 4.156 4.320 -0.003 0.000 0.217 71 A C 2.111 179.666 177.584 -0.048 0.000 1.175 71 A CA 1.486 53.500 52.037 -0.038 0.000 0.627 71 A CB -0.480 18.509 19.000 -0.018 0.000 0.815 71 A HN 0.644 nan 8.150 nan 0.000 0.443 72 Q N -0.871 118.911 119.800 -0.029 0.000 2.119 72 Q HA -0.072 4.266 4.340 -0.003 0.000 0.201 72 Q C 2.071 177.997 176.000 -0.123 0.000 0.972 72 Q CA 1.315 57.091 55.803 -0.045 0.000 0.847 72 Q CB -0.317 28.442 28.738 0.034 0.000 0.903 72 Q HN 0.461 nan 8.270 nan 0.000 0.433 73 V N 0.825 120.673 119.914 -0.111 0.000 2.515 73 V HA -0.226 3.893 4.120 -0.003 0.000 0.250 73 V C 2.120 178.018 176.094 -0.327 0.000 1.058 73 V CA 1.711 63.900 62.300 -0.185 0.000 1.064 73 V CB -0.496 31.291 31.823 -0.061 0.000 0.675 73 V HN 0.397 nan 8.190 nan 0.000 0.461 74 A N -0.648 122.037 122.820 -0.226 0.000 1.908 74 A HA -0.266 4.053 4.320 -0.003 0.000 0.218 74 A C 2.166 179.605 177.584 -0.241 0.000 1.181 74 A CA 2.378 54.277 52.037 -0.230 0.000 0.627 74 A CB -0.475 18.443 19.000 -0.137 0.000 0.818 74 A HN 0.553 nan 8.150 nan 0.000 0.445 75 M N -0.634 118.825 119.600 -0.236 0.000 2.086 75 M HA -0.108 4.370 4.480 -0.003 0.000 0.261 75 M C 2.084 178.061 176.300 -0.538 0.000 1.067 75 M CA 1.718 56.820 55.300 -0.330 0.000 1.116 75 M CB -0.582 31.779 32.600 -0.397 0.000 1.348 75 M HN 0.398 nan 8.290 nan 0.000 0.407 76 I N -0.531 119.717 120.570 -0.538 0.000 2.226 76 I HA -0.255 3.913 4.170 -0.003 0.000 0.245 76 I C 2.352 178.093 176.117 -0.627 0.000 1.100 76 I CA 1.311 62.277 61.300 -0.557 0.000 1.374 76 I CB -0.889 36.805 38.000 -0.511 0.000 1.057 76 I HN 0.315 nan 8.210 nan 0.000 0.413 77 T N 0.845 114.876 114.554 -0.872 0.000 2.684 77 T HA -0.146 4.202 4.350 -0.003 0.000 0.267 77 T C 1.735 176.192 174.700 -0.405 0.000 1.036 77 T CA 1.671 63.303 62.100 -0.780 0.000 1.148 77 T CB -0.347 68.112 68.868 -0.682 0.000 0.863 77 T HN 0.283 nan 8.240 nan 0.000 0.436 78 N N 0.759 119.276 118.700 -0.305 0.000 2.120 78 N HA 0.028 4.766 4.740 -0.003 0.000 0.188 78 N C 1.628 176.992 175.510 -0.243 0.000 1.024 78 N CA 1.064 53.899 53.050 -0.358 0.000 0.852 78 N CB -0.649 37.751 38.487 -0.146 0.000 1.003 78 N HN 0.448 nan 8.380 nan 0.000 0.424 79 F N 0.054 119.878 119.950 -0.209 0.000 2.102 79 F HA -0.127 4.398 4.527 -0.004 0.000 0.298 79 F C 2.461 178.234 175.800 -0.044 0.000 1.105 79 F CA 0.480 58.468 58.000 -0.020 0.000 1.239 79 F CB -0.383 38.602 39.000 -0.025 0.000 0.991 79 F HN -0.107 nan 8.300 nan 0.000 0.474 80 V N 0.045 120.011 119.914 0.086 0.000 2.515 80 V HA -0.156 3.963 4.120 -0.003 0.000 0.250 80 V C 2.361 178.450 176.094 -0.008 0.000 1.058 80 V CA 2.086 64.413 62.300 0.046 0.000 1.064 80 V CB -0.833 31.030 31.823 0.066 0.000 0.675 80 V HN 0.418 nan 8.190 nan 0.000 0.461 81 G N -0.690 108.036 108.800 -0.124 0.000 2.446 81 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.217 81 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.217 81 G C 1.396 176.231 174.900 -0.107 0.000 1.168 81 G CA 1.157 46.141 45.100 -0.192 0.000 0.771 81 G HN 0.497 nan 8.290 nan 0.000 0.551 82 F N 0.909 120.834 119.950 -0.041 0.000 2.102 82 F HA 0.051 4.575 4.527 -0.004 0.000 0.298 82 F C 2.677 178.494 175.800 0.028 0.000 1.105 82 F CA 1.157 59.145 58.000 -0.020 0.000 1.239 82 F CB -0.748 38.221 39.000 -0.051 0.000 0.991 82 F HN 0.037 nan 8.300 nan 0.000 0.474 83 R N 0.222 120.835 120.500 0.188 0.000 2.083 83 R HA -0.151 4.188 4.340 -0.003 0.000 0.237 83 R C 2.007 178.339 176.300 0.054 0.000 1.137 83 R CA 1.652 57.810 56.100 0.096 0.000 0.951 83 R CB -0.558 29.780 30.300 0.063 0.000 0.851 83 R HN 0.095 nan 8.270 nan 0.000 0.434 84 M N -0.992 118.628 119.600 0.033 0.000 2.319 84 M HA -0.080 4.398 4.480 -0.003 0.000 0.265 84 M C 1.805 178.073 176.300 -0.053 0.000 1.068 84 M CA 1.091 56.367 55.300 -0.039 0.000 1.118 84 M CB -0.859 31.701 32.600 -0.066 0.000 1.395 84 M HN 0.161 nan 8.290 nan 0.000 0.435 85 Y N 1.537 121.782 120.300 -0.091 0.000 2.145 85 Y HA -0.257 4.293 4.550 -0.001 0.000 0.286 85 Y C 2.573 178.446 175.900 -0.046 0.000 1.145 85 Y CA 2.108 60.160 58.100 -0.080 0.000 1.148 85 Y CB -0.268 38.167 38.460 -0.041 0.000 0.981 85 Y HN 0.184 nan 8.280 nan 0.000 0.507 86 K N -0.631 119.806 120.400 0.062 0.000 2.032 86 K HA -0.215 4.103 4.320 -0.003 0.000 0.209 86 K C 1.957 178.496 176.600 -0.102 0.000 1.048 86 K CA 1.900 58.172 56.287 -0.024 0.000 0.927 86 K CB -0.161 32.358 32.500 0.033 0.000 0.712 86 K HN 0.246 nan 8.250 nan 0.000 0.441 87 M N 0.648 120.192 119.600 -0.092 0.000 2.117 87 M HA -0.149 4.329 4.480 -0.003 0.000 0.262 87 M C 2.256 178.462 176.300 -0.157 0.000 1.065 87 M CA 1.085 56.320 55.300 -0.108 0.000 1.114 87 M CB -1.036 31.506 32.600 -0.097 0.000 1.361 87 M HN 0.247 nan 8.290 nan 0.000 0.408 88 L N 1.415 122.498 121.223 -0.233 0.000 2.012 88 L HA -0.205 4.134 4.340 -0.003 0.000 0.210 88 L C 1.987 178.714 176.870 -0.239 0.000 1.073 88 L CA 1.900 56.578 54.840 -0.271 0.000 0.748 88 L CB -0.898 40.940 42.059 -0.369 0.000 0.891 88 L HN 0.285 nan 8.230 nan 0.000 0.431 89 N N -0.271 118.247 118.700 -0.303 0.000 2.188 89 N HA -0.154 4.584 4.740 -0.003 0.000 0.184 89 N C 1.723 177.150 175.510 -0.138 0.000 1.018 89 N CA 1.342 54.249 53.050 -0.239 0.000 0.858 89 N CB -0.142 38.175 38.487 -0.284 0.000 0.989 89 N HN 0.540 nan 8.380 nan 0.000 0.426 90 E N 0.768 120.896 120.200 -0.119 0.000 2.085 90 E HA -0.102 4.246 4.350 -0.003 0.000 0.194 90 E C 1.799 178.359 176.600 -0.067 0.000 0.994 90 E CA 1.194 57.547 56.400 -0.079 0.000 0.801 90 E CB -0.044 29.617 29.700 -0.066 0.000 0.743 90 E HN 0.350 nan 8.360 nan 0.000 0.453 91 A N 0.602 123.376 122.820 -0.076 0.000 1.970 91 A HA 0.200 4.518 4.320 -0.003 0.000 0.216 91 A C 1.200 178.759 177.584 -0.043 0.000 1.170 91 A CA 1.068 53.073 52.037 -0.053 0.000 0.645 91 A CB -0.090 18.879 19.000 -0.052 0.000 0.816 91 A HN 0.302 nan 8.150 nan 0.000 0.447 92 G N -0.588 108.178 108.800 -0.057 0.000 3.373 92 G HA2 0.101 4.060 3.960 -0.003 0.000 0.685 92 G HA3 0.101 4.060 3.960 -0.003 0.000 0.685 92 G C 0.162 175.046 174.900 -0.026 0.000 1.166 92 G CA 0.245 45.320 45.100 -0.040 0.000 1.063 92 G HN 1.208 nan 8.290 nan 0.000 0.481 93 S N 1.075 116.754 115.700 -0.034 0.000 2.597 93 S HA 0.585 5.053 4.470 -0.003 0.000 0.224 93 S C 1.655 176.269 174.600 0.022 0.000 0.955 93 S CA 0.820 59.017 58.200 -0.004 0.000 0.933 93 S CB 0.450 63.634 63.200 -0.026 0.000 0.788 93 S HN 2.727 nan 8.310 nan 0.000 0.488 94 G N 0.792 109.602 108.800 0.015 0.000 2.627 94 G HA2 0.134 4.093 3.960 -0.003 0.000 0.214 94 G HA3 0.134 4.093 3.960 -0.003 0.000 0.214 94 G C 0.581 175.493 174.900 0.020 0.000 1.331 94 G CA -0.314 44.799 45.100 0.023 0.000 0.891 94 G HN 1.036 nan 8.290 nan 0.000 0.539 95 A N -0.925 121.908 122.820 0.023 0.000 1.911 95 A HA 0.387 4.705 4.320 -0.003 0.000 0.212 95 A C 2.749 180.347 177.584 0.024 0.000 1.189 95 A CA 2.474 54.524 52.037 0.022 0.000 0.639 95 A CB -0.774 18.238 19.000 0.021 0.000 0.839 95 A HN 2.304 nan 8.150 nan 0.000 0.449 96 S N -1.493 114.220 115.700 0.021 0.000 2.423 96 S HA 0.383 4.852 4.470 -0.003 0.000 0.231 96 S C 1.180 175.789 174.600 0.015 0.000 1.014 96 S CA 1.349 59.555 58.200 0.010 0.000 0.965 96 S CB -0.337 62.866 63.200 0.006 0.000 0.785 96 S HN 1.800 nan 8.310 nan 0.000 0.495 97 G N 0.371 109.191 108.800 0.033 0.000 2.366 97 G HA2 0.491 4.450 3.960 -0.003 0.000 0.190 97 G HA3 0.491 4.450 3.960 -0.003 0.000 0.190 97 G C -1.218 173.721 174.900 0.066 0.000 1.299 97 G CA -0.240 44.888 45.100 0.046 0.000 1.056 97 G HN 1.318 nan 8.290 nan 0.000 0.468 98 A N -0.907 121.982 122.820 0.115 0.000 2.604 98 A HA 0.890 5.209 4.320 -0.003 0.000 0.295 98 A C -1.356 176.372 177.584 0.241 0.000 1.067 98 A CA 0.155 52.276 52.037 0.140 0.000 0.683 98 A CB 1.636 20.661 19.000 0.041 0.000 1.281 98 A HN 2.132 nan 8.150 nan 0.000 0.407 99 I N 0.955 121.690 120.570 0.275 0.000 2.775 99 I HA 0.746 4.914 4.170 -0.003 0.000 0.295 99 I C -2.140 174.187 176.117 0.349 0.000 1.287 99 I CA -0.843 60.646 61.300 0.316 0.000 1.029 99 I CB 1.877 40.096 38.000 0.365 0.000 1.282 99 I HN 0.872 nan 8.210 nan 0.000 0.426 100 L N 5.539 126.953 121.223 0.318 0.000 2.505 100 L HA 0.545 4.884 4.340 -0.003 0.000 0.259 100 L C -1.417 175.552 176.870 0.164 0.000 0.952 100 L CA -0.213 54.809 54.840 0.303 0.000 0.840 100 L CB 2.280 44.489 42.059 0.250 0.000 1.358 100 L HN 0.576 nan 8.230 nan 0.000 0.409 101 S N 4.442 120.205 115.700 0.105 0.000 2.532 101 S HA 0.507 4.975 4.470 -0.003 0.000 0.318 101 S C -2.108 172.417 174.600 -0.126 0.000 1.083 101 S CA -1.463 56.613 58.200 -0.206 0.000 1.131 101 S CB 1.171 64.231 63.200 -0.234 0.000 0.973 101 S HN 0.535 nan 8.310 nan 0.000 0.468 102 P HA -0.027 nan 4.420 nan 0.000 0.215 102 P C -1.681 175.577 177.300 -0.069 0.000 1.153 102 P CA 1.108 64.113 63.100 -0.158 0.000 0.853 102 P CB -0.719 30.801 31.700 -0.300 0.000 0.788 103 P HA -0.181 nan 4.420 nan 0.000 0.215 103 P C 1.483 178.899 177.300 0.192 0.000 1.153 103 P CA 2.086 65.203 63.100 0.028 0.000 0.853 103 P CB -0.656 31.023 31.700 -0.036 0.000 0.788 104 A N -0.178 122.748 122.820 0.177 0.000 1.902 104 A HA -0.154 4.165 4.320 -0.003 0.000 0.217 104 A C 2.143 179.893 177.584 0.277 0.000 1.181 104 A CA 1.256 53.491 52.037 0.330 0.000 0.623 104 A CB -1.646 17.496 19.000 0.237 0.000 0.818 104 A HN 0.142 nan 8.150 nan 0.000 0.443 105 L N -1.257 120.081 121.223 0.192 0.000 2.027 105 L HA -0.095 4.243 4.340 -0.003 0.000 0.206 105 L C 2.280 179.207 176.870 0.096 0.000 1.074 105 L CA 2.406 57.350 54.840 0.174 0.000 0.745 105 L CB -1.094 41.079 42.059 0.191 0.000 0.898 105 L HN 0.496 nan 8.230 nan 0.000 0.433 106 F N 0.967 120.877 119.950 -0.067 0.000 2.095 106 F HA -0.163 4.362 4.527 -0.004 0.000 0.298 106 F C 2.258 177.912 175.800 -0.243 0.000 1.104 106 F CA 1.840 59.759 58.000 -0.135 0.000 1.232 106 F CB -0.412 38.504 39.000 -0.141 0.000 0.987 106 F HN 0.168 nan 8.300 nan 0.000 0.475 107 G N -0.847 107.686 108.800 -0.445 0.000 2.422 107 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.218 107 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.218 107 G C 1.563 175.773 174.900 -1.150 0.000 1.146 107 G CA 1.353 45.742 45.100 -1.185 0.000 0.769 107 G HN 0.397 nan 8.290 nan 0.000 0.547 108 T N 1.355 115.592 114.554 -0.528 0.000 2.708 108 T HA -0.040 4.308 4.350 -0.003 0.000 0.266 108 T C 2.425 176.963 174.700 -0.271 0.000 1.037 108 T CA 0.959 62.878 62.100 -0.302 0.000 1.146 108 T CB -0.225 68.638 68.868 -0.008 0.000 0.865 108 T HN 0.156 nan 8.240 nan 0.000 0.435 109 L N 0.714 121.818 121.223 -0.199 0.000 2.046 109 L HA -0.077 4.261 4.340 -0.003 0.000 0.208 109 L C 2.647 179.415 176.870 -0.171 0.000 1.077 109 L CA 0.870 55.640 54.840 -0.117 0.000 0.747 109 L CB -0.622 41.372 42.059 -0.109 0.000 0.896 109 L HN 0.149 nan 8.230 nan 0.000 0.432 110 V N -1.114 118.538 119.914 -0.437 0.000 2.427 110 V HA -0.231 3.887 4.120 -0.003 0.000 0.248 110 V C 2.535 178.534 176.094 -0.158 0.000 1.051 110 V CA 1.768 63.833 62.300 -0.392 0.000 1.048 110 V CB -0.181 31.201 31.823 -0.734 0.000 0.666 110 V HN 0.370 nan 8.190 nan 0.000 0.456 111 S N -0.010 115.537 115.700 -0.256 0.000 2.356 111 S HA -0.169 4.299 4.470 -0.003 0.000 0.223 111 S C 1.783 176.390 174.600 0.011 0.000 1.032 111 S CA 1.714 59.839 58.200 -0.126 0.000 1.005 111 S CB -0.466 62.641 63.200 -0.155 0.000 0.867 111 S HN 0.520 nan 8.310 nan 0.000 0.449 112 F N 0.471 120.386 119.950 -0.058 0.000 2.161 112 F HA -0.112 4.417 4.527 0.002 0.000 0.300 112 F C 2.232 178.056 175.800 0.040 0.000 1.089 112 F CA 1.183 59.177 58.000 -0.011 0.000 1.282 112 F CB -0.778 38.157 39.000 -0.109 0.000 1.010 112 F HN 0.226 nan 8.300 nan 0.000 0.485 113 Y N 0.629 120.974 120.300 0.075 0.000 2.128 113 Y HA -0.256 4.291 4.550 -0.004 0.000 0.284 113 Y C 2.084 177.998 175.900 0.023 0.000 1.154 113 Y CA 1.608 59.718 58.100 0.016 0.000 1.149 113 Y CB -0.704 37.721 38.460 -0.059 0.000 0.976 113 Y HN 0.011 nan 8.280 nan 0.000 0.505 114 L N -0.504 120.730 121.223 0.017 0.000 2.191 114 L HA -0.156 4.183 4.340 -0.003 0.000 0.212 114 L C 2.398 179.300 176.870 0.053 0.000 1.103 114 L CA 1.334 56.154 54.840 -0.032 0.000 0.769 114 L CB -0.782 41.317 42.059 0.066 0.000 0.908 114 L HN 0.430 nan 8.230 nan 0.000 0.438 115 G N -1.380 107.478 108.800 0.098 0.000 3.042 115 G HA2 0.013 3.972 3.960 -0.003 0.000 0.212 115 G HA3 0.013 3.972 3.960 -0.003 0.000 0.212 115 G C 0.515 175.339 174.900 -0.126 0.000 1.166 115 G CA 0.444 45.465 45.100 -0.131 0.000 0.767 115 G HN 0.376 nan 8.290 nan 0.000 0.546 116 S N -0.524 115.116 115.700 -0.100 0.000 2.638 116 S HA 0.817 5.285 4.470 -0.003 0.000 0.298 116 S C -0.564 173.964 174.600 -0.120 0.000 1.111 116 S CA -0.762 57.390 58.200 -0.080 0.000 1.027 116 S CB 2.181 65.362 63.200 -0.032 0.000 1.064 116 S HN 0.018 nan 8.310 nan 0.000 0.525 117 L N 0.646 121.825 121.223 -0.074 0.000 2.283 117 L HA 0.553 4.892 4.340 -0.003 0.000 0.259 117 L C -0.529 176.317 176.870 -0.039 0.000 1.027 117 L CA -1.276 53.522 54.840 -0.069 0.000 0.828 117 L CB 1.426 43.453 42.059 -0.053 0.000 1.380 117 L HN 0.608 nan 8.230 nan 0.000 0.425 118 D N 1.510 121.894 120.400 -0.028 0.000 2.423 118 D HA 0.073 4.711 4.640 -0.003 0.000 0.238 118 D C -1.500 174.797 176.300 -0.005 0.000 1.142 118 D CA -0.834 53.163 54.000 -0.005 0.000 0.884 118 D CB 0.925 41.725 40.800 -0.000 0.000 1.199 118 D HN 0.307 nan 8.370 nan 0.000 0.438 119 P HA -0.012 nan 4.420 nan 0.000 0.240 119 P C 0.961 178.274 177.300 0.021 0.000 1.190 119 P CA 0.462 63.570 63.100 0.013 0.000 0.781 119 P CB 0.325 32.031 31.700 0.011 0.000 0.931 120 T N 0.445 115.007 114.554 0.014 0.000 2.720 120 T HA -0.148 4.200 4.350 -0.003 0.000 0.268 120 T C 2.009 176.743 174.700 0.057 0.000 1.037 120 T CA 1.799 63.912 62.100 0.022 0.000 1.144 120 T CB -0.760 68.114 68.868 0.009 0.000 0.864 120 T HN 0.107 nan 8.240 nan 0.000 0.444 121 A N 2.075 124.923 122.820 0.046 0.000 1.865 121 A HA -0.167 4.151 4.320 -0.003 0.000 0.217 121 A C 2.642 180.359 177.584 0.220 0.000 1.191 121 A CA 2.614 54.707 52.037 0.094 0.000 0.623 121 A CB -1.157 17.815 19.000 -0.048 0.000 0.826 121 A HN 0.628 nan 8.150 nan 0.000 0.444 122 S N -0.674 115.106 115.700 0.133 0.000 2.383 122 S HA -0.241 4.227 4.470 -0.003 0.000 0.227 122 S C 1.959 176.616 174.600 0.095 0.000 1.026 122 S CA 1.476 59.750 58.200 0.124 0.000 0.981 122 S CB -0.555 62.693 63.200 0.080 0.000 0.818 122 S HN 0.660 nan 8.310 nan 0.000 0.472 123 Q N 0.813 120.658 119.800 0.074 0.000 2.124 123 Q HA 0.064 4.403 4.340 -0.003 0.000 0.202 123 Q C 2.277 178.306 176.000 0.049 0.000 0.977 123 Q CA 1.618 57.450 55.803 0.049 0.000 0.850 123 Q CB -0.463 28.293 28.738 0.029 0.000 0.901 123 Q HN 0.550 nan 8.270 nan 0.000 0.429 124 L N 0.264 121.535 121.223 0.080 0.000 2.017 124 L HA -0.253 4.086 4.340 -0.003 0.000 0.208 124 L C 2.678 179.550 176.870 0.002 0.000 1.073 124 L CA 1.460 56.338 54.840 0.063 0.000 0.745 124 L CB -0.403 41.749 42.059 0.156 0.000 0.894 124 L HN 0.325 nan 8.230 nan 0.000 0.432 125 Q N -0.483 119.320 119.800 0.005 0.000 2.084 125 Q HA -0.212 4.127 4.340 -0.003 0.000 0.202 125 Q C 2.033 178.023 176.000 -0.016 0.000 0.978 125 Q CA 2.281 58.035 55.803 -0.081 0.000 0.844 125 Q CB -0.017 28.700 28.738 -0.035 0.000 0.898 125 Q HN 0.405 nan 8.270 nan 0.000 0.426 126 T N 1.470 116.040 114.554 0.027 0.000 2.720 126 T HA -0.174 4.175 4.350 -0.003 0.000 0.268 126 T C 1.663 176.376 174.700 0.022 0.000 1.037 126 T CA 1.269 63.394 62.100 0.042 0.000 1.144 126 T CB -0.316 68.584 68.868 0.053 0.000 0.864 126 T HN 0.290 nan 8.240 nan 0.000 0.444 127 L N 0.861 122.092 121.223 0.012 0.000 2.127 127 L HA 0.063 4.401 4.340 -0.003 0.000 0.211 127 L C 1.826 178.705 176.870 0.015 0.000 1.089 127 L CA 1.576 56.420 54.840 0.008 0.000 0.757 127 L CB -0.548 41.514 42.059 0.004 0.000 0.899 127 L HN 0.265 nan 8.230 nan 0.000 0.434 128 L N -0.821 120.405 121.223 0.006 0.000 2.599 128 L HA 0.018 4.356 4.340 -0.003 0.000 0.230 128 L C 0.717 177.582 176.870 -0.009 0.000 1.141 128 L CA 0.640 55.490 54.840 0.016 0.000 0.877 128 L CB -0.459 41.608 42.059 0.015 0.000 1.009 128 L HN 0.326 nan 8.230 nan 0.000 0.447 129 D N -0.962 119.437 120.400 -0.002 0.000 3.103 129 D HA -0.138 4.500 4.640 -0.003 0.000 0.211 129 D C -0.449 175.858 176.300 0.012 0.000 1.100 129 D CA 0.402 54.397 54.000 -0.010 0.000 0.961 129 D CB -0.773 40.034 40.800 0.013 0.000 1.093 129 D HN -0.005 nan 8.370 nan 0.000 0.427 130 V N 0.752 120.673 119.914 0.011 0.000 2.370 130 V HA 0.506 4.624 4.120 -0.003 0.000 0.283 130 V C -1.844 174.279 176.094 0.048 0.000 1.023 130 V CA -1.449 60.846 62.300 -0.007 0.000 0.857 130 V CB 1.622 33.415 31.823 -0.051 0.000 0.985 130 V HN -0.050 nan 8.190 nan 0.000 0.443 131 P HA 0.153 nan 4.420 nan 0.000 0.267 131 P C -0.716 176.600 177.300 0.026 0.000 1.200 131 P CA 0.097 63.203 63.100 0.009 0.000 0.772 131 P CB 0.604 32.220 31.700 -0.140 0.000 0.855 132 V N 3.855 123.792 119.914 0.039 0.000 2.555 132 V HA 0.329 4.448 4.120 -0.003 0.000 0.302 132 V C 0.155 176.270 176.094 0.034 0.000 1.038 132 V CA -0.496 61.833 62.300 0.047 0.000 0.887 132 V CB 1.801 33.660 31.823 0.061 0.000 0.991 132 V HN 0.394 nan 8.190 nan 0.000 0.434 133 K N 3.718 124.141 120.400 0.038 0.000 2.464 133 K HA 0.405 4.724 4.320 -0.003 0.000 0.252 133 K C -0.364 176.255 176.600 0.032 0.000 1.000 133 K CA -0.454 55.851 56.287 0.030 0.000 0.951 133 K CB 1.682 34.199 32.500 0.030 0.000 1.183 133 K HN 0.699 nan 8.250 nan 0.000 0.445 134 E N 0.396 120.613 120.200 0.027 0.000 2.452 134 E HA -0.048 4.300 4.350 -0.003 0.000 0.261 134 E C 1.021 177.632 176.600 0.019 0.000 0.987 134 E CA 0.906 57.320 56.400 0.024 0.000 0.926 134 E CB 0.387 30.099 29.700 0.021 0.000 0.934 134 E HN 0.897 nan 8.360 nan 0.000 0.452 135 G N 3.478 112.287 108.800 0.016 0.000 2.253 135 G HA2 -0.270 3.689 3.960 -0.003 0.000 0.251 135 G HA3 -0.270 3.689 3.960 -0.003 0.000 0.251 135 G C 0.069 174.977 174.900 0.013 0.000 0.998 135 G CA 0.236 45.342 45.100 0.011 0.000 0.621 135 G HN 0.608 nan 8.290 nan 0.000 0.524 136 D N 0.638 121.052 120.400 0.023 0.000 2.473 136 D HA 0.486 5.125 4.640 -0.003 0.000 0.226 136 D C 1.796 178.119 176.300 0.039 0.000 1.089 136 D CA 0.009 54.028 54.000 0.032 0.000 0.883 136 D CB -0.007 40.818 40.800 0.041 0.000 1.029 136 D HN 0.488 nan 8.370 nan 0.000 0.517 137 C N 1.758 121.070 119.300 0.020 0.000 2.448 137 C HA -0.044 4.414 4.460 -0.003 0.000 0.280 137 C C 2.146 177.172 174.990 0.060 0.000 1.398 137 C CA 0.924 59.947 59.018 0.008 0.000 1.774 137 C CB -1.482 26.214 27.740 -0.073 0.000 1.888 137 C HN 0.632 nan 8.230 nan 0.000 0.519 138 T N -0.140 114.460 114.554 0.076 0.000 3.163 138 T HA -0.025 4.324 4.350 -0.003 0.000 0.260 138 T C 1.510 176.286 174.700 0.128 0.000 1.156 138 T CA 1.345 63.518 62.100 0.123 0.000 1.072 138 T CB -0.693 68.257 68.868 0.136 0.000 0.937 138 T HN 0.811 nan 8.240 nan 0.000 0.528 139 S N 0.090 115.856 115.700 0.110 0.000 2.548 139 S HA 0.243 4.712 4.470 -0.003 0.000 0.215 139 S C 0.826 175.487 174.600 0.101 0.000 0.976 139 S CA -0.767 57.493 58.200 0.101 0.000 0.908 139 S CB -0.087 63.162 63.200 0.081 0.000 0.781 139 S HN 0.232 nan 8.310 nan 0.000 0.519 140 R N 1.379 121.969 120.500 0.150 0.000 2.410 140 R HA 0.440 4.779 4.340 -0.003 0.000 0.288 140 R C -0.141 176.246 176.300 0.145 0.000 1.051 140 R CA -0.750 55.473 56.100 0.205 0.000 1.021 140 R CB 0.336 30.828 30.300 0.319 0.000 1.032 140 R HN 0.340 nan 8.270 nan 0.000 0.481 141 L N 1.839 123.099 121.223 0.061 0.000 2.490 141 L HA -0.037 4.301 4.340 -0.003 0.000 0.274 141 L C 0.858 177.638 176.870 -0.151 0.000 1.201 141 L CA 0.327 55.102 54.840 -0.109 0.000 0.869 141 L CB 0.186 42.072 42.059 -0.287 0.000 1.123 141 L HN 0.392 nan 8.230 nan 0.000 0.484 142 D N 2.438 122.541 120.400 -0.495 0.000 2.411 142 D HA 0.119 4.758 4.640 -0.003 0.000 0.225 142 D C 1.079 177.181 176.300 -0.330 0.000 1.156 142 D CA -0.102 53.410 54.000 -0.813 0.000 0.874 142 D CB 1.660 41.856 40.800 -1.007 0.000 1.034 142 D HN 0.627 nan 8.370 nan 0.000 0.502 143 G N 2.644 111.349 108.800 -0.157 0.000 2.450 143 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.220 143 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.220 143 G C 1.229 176.044 174.900 -0.142 0.000 1.130 143 G CA 0.847 45.885 45.100 -0.103 0.000 0.760 143 G HN 0.640 nan 8.290 nan 0.000 0.557 144 H N 0.090 119.127 119.070 -0.056 0.000 2.357 144 H HA 0.081 4.636 4.556 -0.002 0.000 0.301 144 H C 2.661 177.950 175.328 -0.065 0.000 1.082 144 H CA 1.166 57.184 56.048 -0.049 0.000 1.342 144 H CB 0.152 29.896 29.762 -0.030 0.000 1.389 144 H HN 0.273 nan 8.280 nan 0.000 0.511 145 K N 0.385 120.781 120.400 -0.007 0.000 2.026 145 K HA -0.126 4.192 4.320 -0.003 0.000 0.208 145 K C 2.240 178.829 176.600 -0.019 0.000 1.048 145 K CA 1.399 57.663 56.287 -0.038 0.000 0.929 145 K CB -0.190 32.240 32.500 -0.116 0.000 0.713 145 K HN 0.053 nan 8.250 nan 0.000 0.439 146 V N 2.137 122.025 119.914 -0.044 0.000 2.255 146 V HA -0.264 3.854 4.120 -0.003 0.000 0.247 146 V C 2.285 178.397 176.094 0.030 0.000 1.051 146 V CA 1.740 64.041 62.300 0.001 0.000 1.018 146 V CB -0.467 31.325 31.823 -0.052 0.000 0.641 146 V HN 0.297 nan 8.190 nan 0.000 0.445 147 L N -0.190 121.030 121.223 -0.005 0.000 2.141 147 L HA -0.115 4.224 4.340 -0.003 0.000 0.209 147 L C 2.708 179.619 176.870 0.068 0.000 1.094 147 L CA 1.317 56.171 54.840 0.024 0.000 0.763 147 L CB -0.795 41.280 42.059 0.027 0.000 0.908 147 L HN 0.380 nan 8.230 nan 0.000 0.437 148 A N 0.245 123.098 122.820 0.055 0.000 1.902 148 A HA -0.156 4.162 4.320 -0.003 0.000 0.217 148 A C 2.537 180.147 177.584 0.044 0.000 1.181 148 A CA 1.688 53.752 52.037 0.045 0.000 0.623 148 A CB -0.577 18.442 19.000 0.030 0.000 0.818 148 A HN 0.391 nan 8.150 nan 0.000 0.443 149 A N -0.806 122.040 122.820 0.043 0.000 1.930 149 A HA 0.016 4.334 4.320 -0.003 0.000 0.217 149 A C 2.092 179.713 177.584 0.061 0.000 1.175 149 A CA 1.626 53.687 52.037 0.040 0.000 0.627 149 A CB -0.505 18.513 19.000 0.030 0.000 0.815 149 A HN 0.559 nan 8.150 nan 0.000 0.443 150 L N -0.259 121.025 121.223 0.101 0.000 2.093 150 L HA -0.045 4.293 4.340 -0.003 0.000 0.208 150 L C 2.425 179.376 176.870 0.135 0.000 1.085 150 L CA 2.071 56.993 54.840 0.137 0.000 0.755 150 L CB -0.553 41.628 42.059 0.203 0.000 0.904 150 L HN 0.470 nan 8.230 nan 0.000 0.435 151 R N -0.682 119.890 120.500 0.120 0.000 2.091 151 R HA -0.176 4.163 4.340 -0.003 0.000 0.238 151 R C 2.162 178.504 176.300 0.071 0.000 1.136 151 R CA 1.442 57.603 56.100 0.101 0.000 0.959 151 R CB -0.348 29.997 30.300 0.075 0.000 0.856 151 R HN 0.469 nan 8.270 nan 0.000 0.437 152 A N 0.536 123.388 122.820 0.054 0.000 1.902 152 A HA -0.140 4.179 4.320 -0.003 0.000 0.217 152 A C 2.250 179.860 177.584 0.044 0.000 1.181 152 A CA 1.763 53.820 52.037 0.034 0.000 0.623 152 A CB -0.777 18.235 19.000 0.020 0.000 0.818 152 A HN 0.376 nan 8.150 nan 0.000 0.443 153 V N -2.251 117.701 119.914 0.064 0.000 2.548 153 V HA -0.249 3.869 4.120 -0.003 0.000 0.249 153 V C 2.044 178.245 176.094 0.178 0.000 1.055 153 V CA 2.106 64.463 62.300 0.095 0.000 1.065 153 V CB -1.120 30.741 31.823 0.063 0.000 0.681 153 V HN 0.607 nan 8.190 nan 0.000 0.462 154 Q N 1.234 121.142 119.800 0.179 0.000 2.061 154 Q HA -0.089 4.249 4.340 -0.003 0.000 0.204 154 Q C 2.390 178.424 176.000 0.058 0.000 0.984 154 Q CA 2.073 57.978 55.803 0.170 0.000 0.846 154 Q CB -0.703 28.125 28.738 0.150 0.000 0.902 154 Q HN 0.764 nan 8.270 nan 0.000 0.421 155 G N 0.879 109.695 108.800 0.028 0.000 2.421 155 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.216 155 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.216 155 G C 1.418 176.299 174.900 -0.032 0.000 1.171 155 G CA 0.532 45.615 45.100 -0.028 0.000 0.775 155 G HN 0.169 nan 8.290 nan 0.000 0.543 156 L N -0.255 120.965 121.223 -0.005 0.000 2.042 156 L HA -0.103 4.235 4.340 -0.003 0.000 0.210 156 L C 2.717 179.574 176.870 -0.022 0.000 1.076 156 L CA 0.661 55.496 54.840 -0.008 0.000 0.749 156 L CB -0.497 41.564 42.059 0.003 0.000 0.893 156 L HN 0.230 nan 8.230 nan 0.000 0.432 157 L N 0.329 121.523 121.223 -0.048 0.000 2.013 157 L HA -0.184 4.154 4.340 -0.003 0.000 0.212 157 L C 2.157 179.010 176.870 -0.029 0.000 1.073 157 L CA 2.135 56.901 54.840 -0.125 0.000 0.753 157 L CB -0.369 41.446 42.059 -0.406 0.000 0.890 157 L HN 0.226 nan 8.230 nan 0.000 0.432 158 V N -3.730 116.176 119.914 -0.014 0.000 3.596 158 V HA 0.191 4.309 4.120 -0.003 0.000 0.289 158 V C 1.162 177.294 176.094 0.063 0.000 1.336 158 V CA 0.221 62.548 62.300 0.046 0.000 1.137 158 V CB -1.902 29.958 31.823 0.062 0.000 0.966 158 V HN 0.567 nan 8.190 nan 0.000 0.428 169 L N 2.673 123.759 121.223 -0.228 0.000 2.457 169 L HA 0.548 4.887 4.340 -0.003 0.000 0.266 169 L C -1.662 175.074 176.870 -0.224 0.000 0.979 169 L CA -0.286 54.414 54.840 -0.234 0.000 0.857 169 L CB 1.338 43.344 42.059 -0.090 0.000 1.213 169 L HN 0.251 nan 8.230 nan 0.000 0.418 170 L N 4.014 125.005 121.223 -0.388 0.000 2.365 170 L HA 0.703 5.041 4.340 -0.003 0.000 0.273 170 L C -0.799 175.883 176.870 -0.313 0.000 1.000 170 L CA -0.664 54.024 54.840 -0.253 0.000 0.819 170 L CB 2.111 44.014 42.059 -0.259 0.000 1.284 170 L HN 0.587 nan 8.230 nan 0.000 0.418 171 Q N 2.091 121.876 119.800 -0.024 0.000 2.414 171 Q HA 0.415 4.753 4.340 -0.003 0.000 0.256 171 Q C -1.664 174.421 176.000 0.143 0.000 0.974 171 Q CA -0.135 55.740 55.803 0.121 0.000 0.723 171 Q CB 1.934 30.823 28.738 0.251 0.000 1.281 171 Q HN 0.585 nan 8.270 nan 0.000 0.470 172 S N 4.438 120.229 115.700 0.152 0.000 2.454 172 S HA 0.650 5.118 4.470 -0.003 0.000 0.306 172 S C -0.454 174.335 174.600 0.315 0.000 1.100 172 S CA -0.556 57.807 58.200 0.273 0.000 1.087 172 S CB 0.678 64.172 63.200 0.489 0.000 1.019 172 S HN 0.655 nan 8.310 nan 0.000 0.480 173 I N 3.357 124.070 120.570 0.238 0.000 2.389 173 I HA 0.482 4.651 4.170 -0.003 0.000 0.288 173 I C -0.411 175.792 176.117 0.143 0.000 0.999 173 I CA -0.904 60.497 61.300 0.169 0.000 1.129 173 I CB 1.657 39.625 38.000 -0.054 0.000 1.288 173 I HN 0.381 nan 8.210 nan 0.000 0.444 174 V N 6.757 126.837 119.914 0.277 0.000 2.680 174 V HA 0.651 4.769 4.120 -0.003 0.000 0.309 174 V C -0.960 175.285 176.094 0.251 0.000 1.052 174 V CA -0.362 62.068 62.300 0.217 0.000 0.908 174 V CB 2.199 34.169 31.823 0.243 0.000 1.001 174 V HN 0.412 nan 8.190 nan 0.000 0.431 175 V N 5.220 125.201 119.914 0.111 0.000 2.417 175 V HA 0.777 4.895 4.120 -0.003 0.000 0.291 175 V C 0.820 176.956 176.094 0.071 0.000 1.024 175 V CA 0.252 62.575 62.300 0.038 0.000 0.861 175 V CB 1.575 33.285 31.823 -0.188 0.000 0.985 175 V HN 1.218 nan 8.190 nan 0.000 0.436 176 G N 4.417 113.285 108.800 0.113 0.000 2.384 176 G HA2 0.572 4.530 3.960 -0.003 0.000 0.316 176 G HA3 0.572 4.530 3.960 -0.003 0.000 0.316 176 G C -1.240 173.270 174.900 -0.651 0.000 1.160 176 G CA -0.367 44.613 45.100 -0.199 0.000 0.936 176 G HN 0.505 nan 8.290 nan 0.000 0.455 177 L N 3.507 124.239 121.223 -0.819 0.000 2.295 177 L HA 0.678 5.016 4.340 -0.003 0.000 0.281 177 L C -1.451 175.066 176.870 -0.588 0.000 1.018 177 L CA -1.255 53.246 54.840 -0.564 0.000 0.841 177 L CB 0.364 42.211 42.059 -0.353 0.000 1.218 177 L HN 0.327 nan 8.230 nan 0.000 0.424 178 F N 2.746 122.705 119.950 0.016 0.000 2.444 178 F HA 0.713 5.238 4.527 -0.004 0.000 0.342 178 F C 0.617 176.402 175.800 -0.024 0.000 1.121 178 F CA -0.550 57.447 58.000 -0.006 0.000 0.997 178 F CB 1.988 40.990 39.000 0.004 0.000 1.130 178 F HN 0.488 nan 8.300 nan 0.000 0.454 179 T N -0.195 114.433 114.554 0.123 0.000 2.907 179 T HA 0.853 5.201 4.350 -0.003 0.000 0.292 179 T C -0.284 174.445 174.700 0.049 0.000 1.043 179 T CA -1.078 61.035 62.100 0.022 0.000 1.003 179 T CB 1.719 70.628 68.868 0.068 0.000 1.084 179 T HN 0.772 nan 8.240 nan 0.000 0.483 180 A N 2.743 125.568 122.820 0.008 0.000 2.445 180 A HA 0.571 4.889 4.320 -0.003 0.000 0.242 180 A C -2.342 175.296 177.584 0.090 0.000 1.075 180 A CA -1.260 50.803 52.037 0.044 0.000 0.777 180 A CB -0.959 18.058 19.000 0.027 0.000 1.013 180 A HN 0.706 nan 8.150 nan 0.000 0.493 181 P HA 0.212 nan 4.420 nan 0.000 0.262 181 P C 1.064 178.410 177.300 0.077 0.000 1.182 181 P CA 1.902 65.040 63.100 0.063 0.000 0.761 181 P CB 0.512 32.237 31.700 0.041 0.000 0.795 182 G N 2.400 111.241 108.800 0.068 0.000 2.241 182 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.244 182 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.244 182 G C 0.060 174.993 174.900 0.055 0.000 0.998 182 G CA -0.389 44.740 45.100 0.049 0.000 0.621 182 G HN 0.544 nan 8.290 nan 0.000 0.519 183 F N 3.507 123.437 119.950 -0.033 0.000 2.504 183 F HA 0.616 5.142 4.527 -0.001 0.000 0.369 183 F C 0.959 176.702 175.800 -0.095 0.000 1.082 183 F CA -0.262 57.708 58.000 -0.050 0.000 1.216 183 F CB 0.472 39.449 39.000 -0.037 0.000 1.108 183 F HN 0.133 nan 8.300 nan 0.000 0.554 184 R N 6.780 126.887 120.500 -0.655 0.000 2.514 184 R HA 0.529 4.867 4.340 -0.003 0.000 0.301 184 R C -1.136 174.784 176.300 -0.633 0.000 0.962 184 R CA -1.002 54.797 56.100 -0.501 0.000 0.882 184 R CB 1.648 31.749 30.300 -0.331 0.000 1.143 184 R HN 0.647 nan 8.270 nan 0.000 0.452 185 L N 2.698 123.603 121.223 -0.530 0.000 2.334 185 L HA 0.354 4.693 4.340 -0.003 0.000 0.277 185 L C 0.252 177.008 176.870 -0.191 0.000 1.075 185 L CA -0.582 54.054 54.840 -0.341 0.000 0.804 185 L CB 1.075 42.882 42.059 -0.420 0.000 1.174 185 L HN 0.364 nan 8.230 nan 0.000 0.438 186 K N 1.933 122.337 120.400 0.008 0.000 2.298 186 K HA 0.037 4.356 4.320 -0.003 0.000 0.280 186 K C 1.031 177.790 176.600 0.265 0.000 1.032 186 K CA -0.317 56.045 56.287 0.124 0.000 0.958 186 K CB 0.860 33.425 32.500 0.109 0.000 0.978 186 K HN 0.569 nan 8.250 nan 0.000 0.472 187 H N 2.567 121.766 119.070 0.214 0.000 2.319 187 H HA -0.186 4.368 4.556 -0.003 0.000 0.297 187 H C 1.582 177.007 175.328 0.162 0.000 1.097 187 H CA 2.594 58.772 56.048 0.216 0.000 1.285 187 H CB 0.367 30.209 29.762 0.133 0.000 1.368 187 H HN 0.732 nan 8.280 nan 0.000 0.495 188 S N 0.270 116.001 115.700 0.052 0.000 2.368 188 S HA -0.194 4.275 4.470 -0.003 0.000 0.225 188 S C 2.197 176.834 174.600 0.062 0.000 1.030 188 S CA 1.210 59.416 58.200 0.010 0.000 0.999 188 S CB -1.217 62.062 63.200 0.131 0.000 0.844 188 S HN 0.443 nan 8.310 nan 0.000 0.459 189 F N 2.824 122.779 119.950 0.007 0.000 2.069 189 F HA -0.052 4.474 4.527 -0.002 0.000 0.298 189 F C 2.303 178.114 175.800 0.018 0.000 1.113 189 F CA 1.320 59.335 58.000 0.024 0.000 1.214 189 F CB -0.764 38.255 39.000 0.030 0.000 0.978 189 F HN 0.080 nan 8.300 nan 0.000 0.474 190 V N -0.025 119.842 119.914 -0.079 0.000 2.427 190 V HA -0.297 3.821 4.120 -0.003 0.000 0.248 190 V C 2.333 178.288 176.094 -0.231 0.000 1.051 190 V CA 2.064 64.264 62.300 -0.166 0.000 1.048 190 V CB -0.733 31.177 31.823 0.145 0.000 0.666 190 V HN 0.349 nan 8.190 nan 0.000 0.456 191 Q N -0.042 119.593 119.800 -0.275 0.000 2.119 191 Q HA -0.147 4.191 4.340 -0.003 0.000 0.201 191 Q C 2.438 178.331 176.000 -0.179 0.000 0.972 191 Q CA 1.928 57.569 55.803 -0.271 0.000 0.847 191 Q CB -0.290 28.209 28.738 -0.399 0.000 0.903 191 Q HN 0.597 nan 8.270 nan 0.000 0.433 192 S N -0.102 115.522 115.700 -0.127 0.000 2.370 192 S HA -0.146 4.323 4.470 -0.003 0.000 0.226 192 S C 1.550 176.105 174.600 -0.075 0.000 1.033 192 S CA 0.993 59.193 58.200 0.000 0.000 1.011 192 S CB -0.265 63.004 63.200 0.115 0.000 0.852 192 S HN 0.258 nan 8.310 nan 0.000 0.457 193 L N 1.491 122.575 121.223 -0.231 0.000 2.131 193 L HA 0.011 4.349 4.340 -0.003 0.000 0.210 193 L C 2.516 179.366 176.870 -0.032 0.000 1.092 193 L CA 1.451 56.202 54.840 -0.149 0.000 0.759 193 L CB -1.273 40.604 42.059 -0.303 0.000 0.903 193 L HN 0.305 nan 8.230 nan 0.000 0.435 194 A N -1.019 121.746 122.820 -0.091 0.000 2.070 194 A HA -0.152 4.166 4.320 -0.003 0.000 0.220 194 A C 2.260 179.830 177.584 -0.023 0.000 1.159 194 A CA 1.303 53.291 52.037 -0.080 0.000 0.656 194 A CB -0.683 18.253 19.000 -0.108 0.000 0.800 194 A HN 0.427 nan 8.150 nan 0.000 0.453 195 L N -1.969 119.262 121.223 0.013 0.000 2.217 195 L HA -0.089 4.249 4.340 -0.003 0.000 0.211 195 L C 2.365 179.323 176.870 0.147 0.000 1.107 195 L CA 0.777 55.650 54.840 0.055 0.000 0.783 195 L CB -0.425 41.668 42.059 0.058 0.000 0.919 195 L HN 0.487 nan 8.230 nan 0.000 0.442 196 F N 0.028 119.966 119.950 -0.020 0.000 2.118 196 F HA 0.021 4.546 4.527 -0.003 0.000 0.293 196 F C 1.151 176.965 175.800 0.024 0.000 1.102 196 F CA 1.067 59.072 58.000 0.009 0.000 1.247 196 F CB 0.025 39.036 39.000 0.018 0.000 1.017 196 F HN -0.057 nan 8.300 nan 0.000 0.475 197 T N 0.704 115.208 114.554 -0.083 0.000 3.012 197 T HA 0.333 4.681 4.350 -0.003 0.000 0.330 197 T C -2.398 172.222 174.700 -0.133 0.000 1.321 197 T CA -1.237 60.766 62.100 -0.161 0.000 1.067 197 T CB 1.849 70.531 68.868 -0.310 0.000 1.235 197 T HN -0.143 nan 8.240 nan 0.000 0.479 198 P HA 0.211 nan 4.420 nan 0.000 0.233 198 P C 0.392 177.561 177.300 -0.219 0.000 1.167 198 P CA 0.098 63.114 63.100 -0.139 0.000 0.770 198 P CB -0.064 31.579 31.700 -0.094 0.000 0.837 199 A N 0.933 123.631 122.820 -0.203 0.000 3.037 199 A HA 0.324 4.642 4.320 -0.003 0.000 0.272 199 A C -0.155 177.165 177.584 -0.440 0.000 1.723 199 A CA -0.149 51.717 52.037 -0.285 0.000 1.413 199 A CB -1.452 17.518 19.000 -0.049 0.000 1.112 199 A HN 0.190 nan 8.150 nan 0.000 0.606 200 L N 1.196 122.007 121.223 -0.687 0.000 2.362 200 L HA 0.795 5.133 4.340 -0.003 0.000 0.275 200 L C -1.486 174.937 176.870 -0.745 0.000 0.998 200 L CA -0.493 54.032 54.840 -0.525 0.000 0.820 200 L CB 1.165 43.026 42.059 -0.330 0.000 1.270 200 L HN 0.336 nan 8.230 nan 0.000 0.415 201 F N 5.892 125.796 119.950 -0.077 0.000 2.691 201 F HA 0.461 4.985 4.527 -0.003 0.000 0.371 201 F C -2.207 173.491 175.800 -0.171 0.000 1.159 201 F CA -1.949 56.037 58.000 -0.023 0.000 1.174 201 F CB 0.919 40.039 39.000 0.200 0.000 1.419 201 F HN 0.359 nan 8.300 nan 0.000 0.514 202 P HA 0.283 nan 4.420 nan 0.000 0.276 202 P C -0.397 176.909 177.300 0.010 0.000 1.253 202 P CA -0.198 62.895 63.100 -0.012 0.000 0.766 202 P CB 0.855 32.655 31.700 0.167 0.000 0.845 203 R N 1.372 121.823 120.500 -0.081 0.000 2.651 203 R HA 0.476 4.814 4.340 -0.003 0.000 0.278 203 R C -0.297 176.047 176.300 0.072 0.000 1.010 203 R CA -0.709 55.379 56.100 -0.020 0.000 0.896 203 R CB 1.979 32.192 30.300 -0.146 0.000 1.211 203 R HN 0.522 nan 8.270 nan 0.000 0.456 204 S N 2.615 118.351 115.700 0.060 0.000 2.578 204 S HA 0.866 5.334 4.470 -0.003 0.000 0.283 204 S C 0.206 174.835 174.600 0.048 0.000 1.195 204 S CA -0.690 57.552 58.200 0.070 0.000 1.050 204 S CB 1.154 64.391 63.200 0.061 0.000 1.012 204 S HN 0.574 nan 8.310 nan 0.000 0.511 205 L N -1.181 120.069 121.223 0.045 0.000 2.710 205 L HA 0.621 4.960 4.340 -0.003 0.000 0.260 205 L C -1.523 175.354 176.870 0.011 0.000 0.993 205 L CA -1.092 53.754 54.840 0.010 0.000 0.877 205 L CB 1.394 43.437 42.059 -0.027 0.000 1.461 205 L HN 0.544 nan 8.230 nan 0.000 0.413 206 D N 1.517 121.917 120.400 0.001 0.000 2.382 206 D HA 0.252 4.890 4.640 -0.003 0.000 0.259 206 D C 0.367 176.664 176.300 -0.006 0.000 1.224 206 D CA 0.366 54.367 54.000 0.002 0.000 0.894 206 D CB 1.019 41.819 40.800 -0.000 0.000 1.127 206 D HN 0.671 nan 8.370 nan 0.000 0.487 207 L N 2.706 123.929 121.223 -0.000 0.000 2.640 207 L HA 0.052 4.390 4.340 -0.003 0.000 0.230 207 L C 1.903 178.772 176.870 -0.002 0.000 1.123 207 L CA 0.087 54.925 54.840 -0.004 0.000 0.900 207 L CB 0.081 42.141 42.059 0.001 0.000 1.146 207 L HN 0.366 nan 8.230 nan 0.000 0.484 208 S N -2.283 113.418 115.700 0.001 0.000 2.517 208 S HA -0.026 4.442 4.470 -0.003 0.000 0.214 208 S C 1.632 176.233 174.600 0.001 0.000 0.991 208 S CA 0.541 58.742 58.200 0.003 0.000 0.906 208 S CB -0.061 63.143 63.200 0.006 0.000 0.789 208 S HN 0.428 nan 8.310 nan 0.000 0.513 209 T N -2.591 111.963 114.554 -0.001 0.000 2.999 209 T HA 0.252 4.600 4.350 -0.003 0.000 0.247 209 T C 0.048 174.746 174.700 -0.003 0.000 1.012 209 T CA 0.433 62.533 62.100 -0.001 0.000 1.048 209 T CB 0.140 69.007 68.868 -0.001 0.000 1.020 209 T HN 0.249 nan 8.240 nan 0.000 0.478 210 D N 1.548 121.944 120.400 -0.006 0.000 2.586 210 D HA 0.362 5.000 4.640 -0.003 0.000 0.254 210 D C -2.351 173.942 176.300 -0.011 0.000 1.248 210 D CA -1.968 52.028 54.000 -0.008 0.000 0.843 210 D CB 1.567 42.362 40.800 -0.009 0.000 1.332 210 D HN -0.075 nan 8.370 nan 0.000 0.523 211 P HA -0.189 nan 4.420 nan 0.000 0.218 211 P C 1.651 178.943 177.300 -0.013 0.000 1.154 211 P CA 0.737 63.831 63.100 -0.009 0.000 0.872 211 P CB 0.527 32.225 31.700 -0.002 0.000 0.790 212 V N -0.959 118.950 119.914 -0.009 0.000 2.358 212 V HA -0.196 3.922 4.120 -0.003 0.000 0.246 212 V C 2.391 178.475 176.094 -0.017 0.000 1.047 212 V CA 1.465 63.760 62.300 -0.009 0.000 1.035 212 V CB -1.145 30.676 31.823 -0.005 0.000 0.658 212 V HN 0.049 nan 8.190 nan 0.000 0.452 213 L N 0.795 122.007 121.223 -0.019 0.000 2.046 213 L HA -0.075 4.263 4.340 -0.003 0.000 0.208 213 L C 2.464 179.310 176.870 -0.040 0.000 1.077 213 L CA 2.283 57.108 54.840 -0.025 0.000 0.747 213 L CB -0.970 41.077 42.059 -0.020 0.000 0.896 213 L HN 0.235 nan 8.230 nan 0.000 0.432 214 A N -1.622 121.171 122.820 -0.045 0.000 1.883 214 A HA -0.250 4.068 4.320 -0.003 0.000 0.217 214 A C 2.306 179.828 177.584 -0.102 0.000 1.186 214 A CA 2.487 54.480 52.037 -0.073 0.000 0.624 214 A CB -1.275 17.690 19.000 -0.059 0.000 0.822 214 A HN 0.491 nan 8.150 nan 0.000 0.444 215 T N -0.414 114.098 114.554 -0.069 0.000 2.788 215 T HA -0.133 4.215 4.350 -0.003 0.000 0.268 215 T C 1.786 176.451 174.700 -0.059 0.000 1.044 215 T CA 1.579 63.641 62.100 -0.063 0.000 1.139 215 T CB -0.247 68.608 68.868 -0.022 0.000 0.867 215 T HN 0.635 nan 8.240 nan 0.000 0.454 216 E N 0.792 120.965 120.200 -0.044 0.000 2.058 216 E HA -0.160 4.189 4.350 -0.003 0.000 0.194 216 E C 2.363 178.933 176.600 -0.049 0.000 0.997 216 E CA 1.127 57.506 56.400 -0.036 0.000 0.801 216 E CB -0.030 29.654 29.700 -0.026 0.000 0.746 216 E HN 0.439 nan 8.360 nan 0.000 0.450 217 K N 0.274 120.633 120.400 -0.068 0.000 2.057 217 K HA -0.135 4.183 4.320 -0.003 0.000 0.207 217 K C 2.195 178.736 176.600 -0.099 0.000 1.049 217 K CA 1.051 57.293 56.287 -0.074 0.000 0.931 217 K CB -0.149 32.296 32.500 -0.091 0.000 0.714 217 K HN 0.142 nan 8.250 nan 0.000 0.440 218 I N 1.745 122.189 120.570 -0.210 0.000 2.179 218 I HA -0.303 3.865 4.170 -0.003 0.000 0.242 218 I C 1.813 177.877 176.117 -0.087 0.000 1.088 218 I CA 1.117 62.221 61.300 -0.327 0.000 1.357 218 I CB -0.322 37.341 38.000 -0.561 0.000 1.051 218 I HN 0.178 nan 8.210 nan 0.000 0.409 219 N N 0.546 119.211 118.700 -0.058 0.000 2.120 219 N HA -0.193 4.545 4.740 -0.003 0.000 0.188 219 N C 1.867 177.346 175.510 -0.052 0.000 1.024 219 N CA 1.072 54.106 53.050 -0.027 0.000 0.852 219 N CB -0.449 38.036 38.487 -0.002 0.000 1.003 219 N HN 0.299 nan 8.380 nan 0.000 0.424 220 R N -0.145 120.333 120.500 -0.037 0.000 2.073 220 R HA -0.107 4.231 4.340 -0.003 0.000 0.234 220 R C 2.100 178.368 176.300 -0.053 0.000 1.134 220 R CA 0.959 57.033 56.100 -0.043 0.000 0.952 220 R CB -0.464 29.823 30.300 -0.022 0.000 0.850 220 R HN 0.207 nan 8.270 nan 0.000 0.433 221 F N 1.522 121.380 119.950 -0.153 0.000 2.069 221 F HA -0.244 4.281 4.527 -0.003 0.000 0.298 221 F C 1.998 177.647 175.800 -0.252 0.000 1.113 221 F CA 1.430 59.328 58.000 -0.171 0.000 1.214 221 F CB -0.287 38.647 39.000 -0.110 0.000 0.978 221 F HN -0.040 nan 8.300 nan 0.000 0.474 222 I N 0.756 121.094 120.570 -0.387 0.000 2.286 222 I HA -0.263 3.906 4.170 -0.003 0.000 0.248 222 I C 2.461 178.225 176.117 -0.588 0.000 1.115 222 I CA 1.355 62.275 61.300 -0.634 0.000 1.392 222 I CB -1.347 36.275 38.000 -0.629 0.000 1.065 222 I HN 0.231 nan 8.210 nan 0.000 0.418 223 K N 1.235 121.410 120.400 -0.375 0.000 2.097 223 K HA -0.086 4.232 4.320 -0.003 0.000 0.205 223 K C 2.081 178.477 176.600 -0.340 0.000 1.050 223 K CA 1.424 57.535 56.287 -0.293 0.000 0.938 223 K CB 0.046 32.448 32.500 -0.162 0.000 0.718 223 K HN 0.260 nan 8.250 nan 0.000 0.442 224 A N 0.847 123.452 122.820 -0.359 0.000 1.898 224 A HA -0.108 4.210 4.320 -0.003 0.000 0.216 224 A C 2.171 179.475 177.584 -0.466 0.000 1.181 224 A CA 1.825 53.658 52.037 -0.339 0.000 0.620 224 A CB -0.582 18.262 19.000 -0.261 0.000 0.819 224 A HN 0.216 nan 8.150 nan 0.000 0.442 225 V N -2.296 117.178 119.914 -0.732 0.000 3.129 225 V HA -0.040 4.078 4.120 -0.003 0.000 0.259 225 V C 2.026 177.695 176.094 -0.709 0.000 1.116 225 V CA 2.144 63.958 62.300 -0.809 0.000 1.127 225 V CB -1.129 29.870 31.823 -1.373 0.000 0.742 225 V HN 0.668 nan 8.190 nan 0.000 0.474 226 T N -3.939 110.138 114.554 -0.795 0.000 3.018 226 T HA 0.409 4.757 4.350 -0.003 0.000 0.246 226 T C 1.867 176.054 174.700 -0.855 0.000 1.026 226 T CA 1.134 62.573 62.100 -1.102 0.000 1.081 226 T CB 0.341 68.143 68.868 -1.775 0.000 0.970 226 T HN 1.481 nan 8.240 nan 0.000 0.475 227 G N 0.834 109.333 108.800 -0.503 0.000 2.189 227 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.267 227 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.267 227 G C -0.111 174.748 174.900 -0.068 0.000 0.975 227 G CA 0.135 45.092 45.100 -0.238 0.000 0.644 227 G HN 0.528 nan 8.290 nan 0.000 0.537 228 W N 0.924 122.104 121.300 -0.200 0.000 2.272 228 W HA 0.597 5.254 4.660 -0.004 0.000 0.318 228 W C 0.688 177.123 176.519 -0.142 0.000 1.255 228 W CA -1.625 55.589 57.345 -0.220 0.000 1.200 228 W CB 0.604 29.911 29.460 -0.254 0.000 1.170 228 W HN 0.176 nan 8.180 nan 0.000 0.549 229 K N 3.585 124.052 120.400 0.111 0.000 2.257 229 K HA 0.281 4.599 4.320 -0.003 0.000 0.270 229 K C 0.626 177.273 176.600 0.077 0.000 1.098 229 K CA -0.015 56.308 56.287 0.061 0.000 0.943 229 K CB 0.092 32.609 32.500 0.030 0.000 1.316 229 K HN 0.491 nan 8.250 nan 0.000 0.447 230 M N 1.734 121.396 119.600 0.103 0.000 2.367 230 M HA 0.083 4.561 4.480 -0.003 0.000 0.256 230 M C -0.364 176.001 176.300 0.108 0.000 1.091 230 M CA -0.179 55.200 55.300 0.132 0.000 1.049 230 M CB 0.263 32.991 32.600 0.215 0.000 1.406 230 M HN 0.565 nan 8.290 nan 0.000 0.498 231 N N 2.414 121.162 118.700 0.080 0.000 2.648 231 N HA -0.123 4.616 4.740 -0.003 0.000 0.265 231 N C -1.145 174.417 175.510 0.085 0.000 1.100 231 N CA 0.589 53.680 53.050 0.067 0.000 0.715 231 N CB -1.667 36.854 38.487 0.056 0.000 0.881 231 N HN 0.358 nan 8.380 nan 0.000 0.548 232 L N 0.775 122.055 121.223 0.095 0.000 2.436 232 L HA 0.402 4.740 4.340 -0.003 0.000 0.265 232 L C -1.115 175.807 176.870 0.087 0.000 1.168 232 L CA -1.488 53.424 54.840 0.120 0.000 0.815 232 L CB 0.163 42.313 42.059 0.152 0.000 1.109 232 L HN 0.093 nan 8.230 nan 0.000 0.462 233 P HA 0.038 nan 4.420 nan 0.000 0.269 233 P C 0.189 177.520 177.300 0.053 0.000 1.215 233 P CA -0.058 63.082 63.100 0.066 0.000 0.780 233 P CB 0.850 32.590 31.700 0.066 0.000 0.898 234 L N -0.708 120.538 121.223 0.039 0.000 2.609 234 L HA 0.191 4.529 4.340 -0.003 0.000 0.230 234 L C 1.374 178.256 176.870 0.021 0.000 1.087 234 L CA 0.030 54.886 54.840 0.026 0.000 0.874 234 L CB -0.126 41.946 42.059 0.021 0.000 1.114 234 L HN 0.448 nan 8.230 nan 0.000 0.488 235 E N 1.214 121.430 120.200 0.026 0.000 2.413 235 E HA 0.143 4.492 4.350 -0.003 0.000 0.263 235 E C 0.354 176.965 176.600 0.018 0.000 1.015 235 E CA -0.052 56.362 56.400 0.022 0.000 0.916 235 E CB 0.897 30.614 29.700 0.028 0.000 0.947 235 E HN 0.172 nan 8.360 nan 0.000 0.440 236 G N 2.021 110.828 108.800 0.012 0.000 2.569 236 G HA2 0.230 4.188 3.960 -0.003 0.000 0.249 236 G HA3 0.230 4.188 3.960 -0.003 0.000 0.249 236 G C -0.435 174.472 174.900 0.012 0.000 1.216 236 G CA -0.675 44.429 45.100 0.007 0.000 0.845 236 G HN 0.427 nan 8.290 nan 0.000 0.568 237 V N 1.132 121.050 119.914 0.007 0.000 2.583 237 V HA 0.184 4.302 4.120 -0.003 0.000 0.287 237 V C 0.767 176.867 176.094 0.010 0.000 1.051 237 V CA -0.576 61.732 62.300 0.013 0.000 1.010 237 V CB 1.197 33.025 31.823 0.008 0.000 0.988 237 V HN 0.907 nan 8.190 nan 0.000 0.478 238 S N 2.730 118.438 115.700 0.014 0.000 2.558 238 S HA -0.052 4.416 4.470 -0.003 0.000 0.293 238 S C 1.280 175.883 174.600 0.006 0.000 1.292 238 S CA 0.245 58.450 58.200 0.009 0.000 1.063 238 S CB 0.671 63.877 63.200 0.010 0.000 0.831 238 S HN 0.878 nan 8.310 nan 0.000 0.499 239 T N 1.193 115.750 114.554 0.004 0.000 2.962 239 T HA -0.106 4.243 4.350 -0.003 0.000 0.270 239 T C 1.005 175.707 174.700 0.002 0.000 1.088 239 T CA 1.514 63.615 62.100 0.003 0.000 1.127 239 T CB -0.658 68.212 68.868 0.003 0.000 0.883 239 T HN 0.854 nan 8.240 nan 0.000 0.493 240 D N 0.179 120.580 120.400 0.002 0.000 2.328 240 D HA 0.119 4.758 4.640 -0.003 0.000 0.226 240 D C 0.423 176.719 176.300 -0.006 0.000 1.066 240 D CA -0.093 53.907 54.000 0.000 0.000 0.861 240 D CB -0.327 40.473 40.800 0.001 0.000 0.912 240 D HN 0.124 nan 8.370 nan 0.000 0.521 241 S N -0.056 115.641 115.700 -0.006 0.000 2.531 241 S HA 0.247 4.715 4.470 -0.003 0.000 0.279 241 S C 1.306 175.883 174.600 -0.039 0.000 1.305 241 S CA 0.053 58.244 58.200 -0.015 0.000 1.058 241 S CB 1.228 64.431 63.200 0.004 0.000 0.899 241 S HN 0.500 nan 8.310 nan 0.000 0.493 242 T N 0.125 114.623 114.554 -0.092 0.000 2.985 242 T HA 0.311 4.659 4.350 -0.003 0.000 0.254 242 T C 0.176 174.692 174.700 -0.306 0.000 1.021 242 T CA -0.204 61.784 62.100 -0.186 0.000 0.957 242 T CB 0.083 68.809 68.868 -0.237 0.000 1.047 242 T HN 0.418 nan 8.240 nan 0.000 0.511 243 L N 1.863 122.965 121.223 -0.201 0.000 2.470 243 L HA 0.592 4.930 4.340 -0.003 0.000 0.268 243 L C -2.007 174.907 176.870 0.073 0.000 0.964 243 L CA -0.940 53.819 54.840 -0.135 0.000 0.839 243 L CB 2.032 43.956 42.059 -0.225 0.000 1.276 243 L HN 0.238 nan 8.230 nan 0.000 0.403 244 L N 4.798 126.121 121.223 0.166 0.000 2.346 244 L HA 0.531 4.869 4.340 -0.003 0.000 0.276 244 L C -1.083 175.992 176.870 0.341 0.000 1.006 244 L CA -0.586 54.423 54.840 0.282 0.000 0.817 244 L CB 2.405 44.653 42.059 0.315 0.000 1.272 244 L HN 0.541 nan 8.230 nan 0.000 0.421 245 F N 3.215 123.320 119.950 0.257 0.000 2.434 245 F HA 0.457 4.982 4.527 -0.002 0.000 0.367 245 F C -0.538 175.389 175.800 0.212 0.000 1.093 245 F CA -0.629 57.505 58.000 0.224 0.000 1.085 245 F CB 0.773 39.937 39.000 0.273 0.000 1.322 245 F HN 0.479 nan 8.300 nan 0.000 0.452 246 N N 3.375 122.252 118.700 0.294 0.000 2.372 246 N HA 0.377 5.116 4.740 -0.003 0.000 0.291 246 N C -0.997 174.512 175.510 -0.001 0.000 1.024 246 N CA -0.473 52.667 53.050 0.150 0.000 0.873 246 N CB 2.136 40.733 38.487 0.182 0.000 1.206 246 N HN 0.348 nan 8.380 nan 0.000 0.486 247 T N 2.118 116.607 114.554 -0.107 0.000 2.792 247 T HA 0.478 4.826 4.350 -0.003 0.000 0.280 247 T C -0.856 173.738 174.700 -0.177 0.000 0.990 247 T CA -0.331 61.783 62.100 0.024 0.000 0.960 247 T CB 0.332 69.371 68.868 0.286 0.000 0.939 247 T HN 0.239 nan 8.240 nan 0.000 0.439 248 Y N 1.176 121.626 120.300 0.250 0.000 2.350 248 Y HA 0.611 5.160 4.550 -0.002 0.000 0.338 248 Y C -0.295 175.836 175.900 0.385 0.000 0.961 248 Y CA -1.168 57.125 58.100 0.321 0.000 1.100 248 Y CB 1.589 40.276 38.460 0.378 0.000 1.179 248 Y HN 0.303 nan 8.280 nan 0.000 0.454 249 V N 3.302 123.470 119.914 0.422 0.000 2.487 249 V HA 0.297 4.415 4.120 -0.003 0.000 0.298 249 V C -0.793 175.373 176.094 0.120 0.000 1.028 249 V CA -0.816 61.665 62.300 0.301 0.000 0.860 249 V CB 1.572 33.586 31.823 0.319 0.000 0.991 249 V HN 0.825 nan 8.190 nan 0.000 0.427 250 H N 4.954 123.835 119.070 -0.316 0.000 2.587 250 H HA 0.500 5.054 4.556 -0.003 0.000 0.325 250 H C -1.974 173.243 175.328 -0.185 0.000 1.012 250 H CA -0.578 55.088 56.048 -0.638 0.000 1.213 250 H CB 1.424 30.074 29.762 -1.854 0.000 1.431 250 H HN 0.612 nan 8.280 nan 0.000 0.492 251 F N 4.830 124.506 119.950 -0.456 0.000 2.458 251 F HA 0.302 4.828 4.527 -0.003 0.000 0.336 251 F C -0.952 174.501 175.800 -0.579 0.000 1.114 251 F CA -0.487 57.266 58.000 -0.412 0.000 0.987 251 F CB 1.654 40.498 39.000 -0.259 0.000 1.130 251 F HN 0.575 nan 8.300 nan 0.000 0.458 252 Q N 4.471 123.536 119.800 -1.225 0.000 2.285 252 Q HA 0.659 4.997 4.340 -0.003 0.000 0.269 252 Q C -1.386 174.041 176.000 -0.954 0.000 1.030 252 Q CA -0.838 54.455 55.803 -0.850 0.000 0.788 252 Q CB 2.086 30.458 28.738 -0.610 0.000 1.266 252 Q HN 0.984 nan 8.270 nan 0.000 0.438 253 G N 1.478 109.934 108.800 -0.574 0.000 2.667 253 G HA2 0.544 4.502 3.960 -0.003 0.000 0.298 253 G HA3 0.544 4.502 3.960 -0.003 0.000 0.298 253 G C -1.131 173.669 174.900 -0.167 0.000 1.377 253 G CA -0.433 44.465 45.100 -0.336 0.000 0.964 253 G HN 0.447 nan 8.290 nan 0.000 0.493 254 T N 3.226 117.704 114.554 -0.126 0.000 2.795 254 T HA 0.389 4.737 4.350 -0.003 0.000 0.282 254 T C 0.515 175.169 174.700 -0.077 0.000 0.980 254 T CA -0.510 61.539 62.100 -0.086 0.000 1.012 254 T CB 1.183 70.016 68.868 -0.058 0.000 0.936 254 T HN 0.311 nan 8.240 nan 0.000 0.457 255 M N 3.360 122.894 119.600 -0.111 0.000 2.319 255 M HA 0.244 4.723 4.480 -0.003 0.000 0.343 255 M C 0.515 176.864 176.300 0.083 0.000 1.364 255 M CA -0.186 54.993 55.300 -0.201 0.000 1.292 255 M CB -0.276 31.974 32.600 -0.582 0.000 1.432 255 M HN 0.484 nan 8.290 nan 0.000 0.448 256 R N 1.278 121.867 120.500 0.149 0.000 2.449 256 R HA 0.257 4.596 4.340 -0.003 0.000 0.296 256 R C 1.084 177.599 176.300 0.358 0.000 1.047 256 R CA 1.401 57.627 56.100 0.210 0.000 1.018 256 R CB 0.256 30.651 30.300 0.158 0.000 0.962 256 R HN 0.991 nan 8.270 nan 0.000 0.428 257 G N 3.515 112.465 108.800 0.251 0.000 2.176 257 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.253 257 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.253 257 G C -0.107 174.870 174.900 0.128 0.000 0.979 257 G CA -0.119 45.081 45.100 0.166 0.000 0.641 257 G HN 0.543 nan 8.290 nan 0.000 0.530 258 F N 1.908 121.891 119.950 0.054 0.000 2.399 258 F HA 0.616 5.141 4.527 -0.002 0.000 0.334 258 F C 0.920 176.733 175.800 0.023 0.000 1.097 258 F CA 0.054 58.078 58.000 0.041 0.000 1.076 258 F CB 2.018 41.038 39.000 0.033 0.000 1.162 258 F HN 0.256 nan 8.300 nan 0.000 0.495 259 S N 1.686 117.472 115.700 0.144 0.000 2.569 259 S HA 0.367 4.836 4.470 -0.003 0.000 0.280 259 S C -1.017 173.632 174.600 0.083 0.000 1.111 259 S CA -1.158 57.099 58.200 0.095 0.000 0.887 259 S CB 1.734 64.963 63.200 0.048 0.000 1.095 259 S HN 0.674 nan 8.310 nan 0.000 0.476 260 Q N 1.265 121.107 119.800 0.070 0.000 2.300 260 Q HA 0.325 4.663 4.340 -0.003 0.000 0.280 260 Q C -0.876 175.159 176.000 0.057 0.000 1.033 260 Q CA -0.229 55.613 55.803 0.064 0.000 0.903 260 Q CB 0.292 29.065 28.738 0.059 0.000 1.195 260 Q HN 0.689 nan 8.270 nan 0.000 0.386 261 L N 6.296 127.554 121.223 0.058 0.000 2.436 261 L HA 0.369 4.707 4.340 -0.003 0.000 0.265 261 L C -1.837 175.124 176.870 0.152 0.000 1.168 261 L CA -2.114 52.771 54.840 0.075 0.000 0.815 261 L CB 0.460 42.517 42.059 -0.003 0.000 1.109 261 L HN 0.686 nan 8.230 nan 0.000 0.462 262 P HA 0.190 nan 4.420 nan 0.000 0.271 262 P C 0.178 177.562 177.300 0.139 0.000 1.216 262 P CA 0.444 63.612 63.100 0.114 0.000 0.771 262 P CB 1.090 32.834 31.700 0.073 0.000 0.864 263 G N 1.613 110.443 108.800 0.049 0.000 2.545 263 G HA2 0.000 3.959 3.960 -0.003 0.000 0.216 263 G HA3 0.000 3.959 3.960 -0.003 0.000 0.216 263 G C -0.666 174.165 174.900 -0.115 0.000 1.314 263 G CA -0.181 44.876 45.100 -0.073 0.000 0.906 263 G HN 0.747 nan 8.290 nan 0.000 0.563 264 V N -2.837 116.889 119.914 -0.314 0.000 2.914 264 V HA 0.967 5.086 4.120 -0.003 0.000 0.314 264 V C -0.330 175.450 176.094 -0.523 0.000 1.084 264 V CA -0.944 61.221 62.300 -0.225 0.000 0.963 264 V CB 2.053 33.819 31.823 -0.094 0.000 1.025 264 V HN 1.306 nan 8.190 nan 0.000 0.432 265 H N 0.321 119.413 119.070 0.037 0.000 2.894 265 H HA 0.460 5.014 4.556 -0.003 0.000 0.367 265 H C -1.060 174.305 175.328 0.061 0.000 1.144 265 H CA -0.594 55.486 56.048 0.052 0.000 1.180 265 H CB 2.468 32.274 29.762 0.073 0.000 1.758 265 H HN 0.815 nan 8.280 nan 0.000 0.541 266 E N 1.861 122.141 120.200 0.135 0.000 2.376 266 E HA 0.067 4.415 4.350 -0.003 0.000 0.266 266 E C -0.972 175.692 176.600 0.107 0.000 1.009 266 E CA 0.273 56.678 56.400 0.009 0.000 0.902 266 E CB 0.853 30.489 29.700 -0.107 0.000 0.972 266 E HN 0.246 nan 8.360 nan 0.000 0.439 267 F N 3.869 123.764 119.950 -0.092 0.000 2.477 267 F HA 0.296 4.821 4.527 -0.003 0.000 0.335 267 F C -1.241 174.514 175.800 -0.075 0.000 1.130 267 F CA -0.943 57.073 58.000 0.027 0.000 0.948 267 F CB 0.757 39.802 39.000 0.075 0.000 1.154 267 F HN 0.425 nan 8.300 nan 0.000 0.439 268 W N 6.926 128.072 121.300 -0.258 0.000 2.437 268 W HA 0.362 5.020 4.660 -0.003 0.000 0.312 268 W C 0.550 177.040 176.519 -0.049 0.000 1.242 268 W CA -0.517 56.760 57.345 -0.115 0.000 1.340 268 W CB 0.946 30.313 29.460 -0.155 0.000 1.327 268 W HN 0.325 nan 8.180 nan 0.000 0.476 269 V N 2.374 122.452 119.914 0.272 0.000 2.591 269 V HA -0.138 3.980 4.120 -0.003 0.000 0.249 269 V C 0.502 176.718 176.094 0.203 0.000 1.053 269 V CA 1.854 64.319 62.300 0.275 0.000 1.068 269 V CB -0.736 31.209 31.823 0.203 0.000 0.689 269 V HN 0.650 nan 8.190 nan 0.000 0.462 270 D N -3.716 116.815 120.400 0.218 0.000 2.921 270 D HA 0.135 4.773 4.640 -0.003 0.000 0.329 270 D C 0.390 176.842 176.300 0.253 0.000 1.293 270 D CA -0.645 53.462 54.000 0.178 0.000 0.964 270 D CB -0.275 40.596 40.800 0.118 0.000 1.435 270 D HN -0.282 nan 8.370 nan 0.000 0.548 271 N N -0.874 117.913 118.700 0.144 0.000 2.453 271 N HA -0.024 4.714 4.740 -0.003 0.000 0.183 271 N C 0.454 176.108 175.510 0.239 0.000 1.041 271 N CA 0.821 53.927 53.050 0.093 0.000 0.900 271 N CB 0.023 38.504 38.487 -0.010 0.000 0.961 271 N HN 0.316 nan 8.380 nan 0.000 0.443 272 S N -0.317 115.551 115.700 0.280 0.000 2.603 272 S HA 0.362 4.830 4.470 -0.003 0.000 0.232 272 S C 0.441 175.180 174.600 0.232 0.000 1.016 272 S CA -0.274 58.089 58.200 0.271 0.000 0.976 272 S CB 1.360 64.644 63.200 0.140 0.000 0.921 272 S HN 0.090 nan 8.310 nan 0.000 0.516 273 I N 2.072 122.770 120.570 0.213 0.000 2.499 273 I HA 0.397 4.566 4.170 -0.003 0.000 0.288 273 I C -0.518 175.525 176.117 -0.123 0.000 1.048 273 I CA -0.443 60.873 61.300 0.026 0.000 1.062 273 I CB 2.278 40.307 38.000 0.050 0.000 1.238 273 I HN 0.094 nan 8.210 nan 0.000 0.426 274 S N 5.708 121.193 115.700 -0.358 0.000 2.566 274 S HA 0.880 5.348 4.470 -0.003 0.000 0.298 274 S C -0.699 173.771 174.600 -0.217 0.000 1.083 274 S CA -0.660 57.247 58.200 -0.488 0.000 0.978 274 S CB 2.216 64.784 63.200 -1.054 0.000 1.073 274 S HN 0.497 nan 8.310 nan 0.000 0.491 275 V N -0.636 119.215 119.914 -0.105 0.000 2.680 275 V HA 0.788 4.907 4.120 -0.003 0.000 0.309 275 V C -0.332 175.751 176.094 -0.018 0.000 1.052 275 V CA -0.672 61.604 62.300 -0.039 0.000 0.908 275 V CB 1.522 33.351 31.823 0.009 0.000 1.001 275 V HN 0.858 nan 8.190 nan 0.000 0.431 276 S N 3.339 119.021 115.700 -0.030 0.000 2.423 276 S HA 0.693 5.162 4.470 -0.003 0.000 0.317 276 S C -0.113 174.494 174.600 0.013 0.000 1.065 276 S CA -0.413 57.781 58.200 -0.011 0.000 1.111 276 S CB 0.787 63.959 63.200 -0.048 0.000 0.968 276 S HN 1.319 nan 8.310 nan 0.000 0.474 277 V N 2.022 121.973 119.914 0.062 0.000 2.960 277 V HA 0.798 4.916 4.120 -0.003 0.000 0.315 277 V C -2.744 173.416 176.094 0.110 0.000 1.087 277 V CA -3.017 59.315 62.300 0.053 0.000 0.982 277 V CB 1.549 33.380 31.823 0.013 0.000 1.039 277 V HN 0.481 nan 8.190 nan 0.000 0.437 278 P HA 0.349 nan 4.420 nan 0.000 0.275 278 P C -1.052 176.319 177.300 0.118 0.000 1.227 278 P CA -0.064 63.109 63.100 0.122 0.000 0.781 278 P CB 0.872 32.612 31.700 0.067 0.000 0.906 279 M N 3.390 123.069 119.600 0.133 0.000 2.528 279 M HA 0.486 4.964 4.480 -0.003 0.000 0.321 279 M C 0.422 176.745 176.300 0.038 0.000 1.153 279 M CA -0.986 54.343 55.300 0.048 0.000 0.951 279 M CB 1.967 34.517 32.600 -0.082 0.000 1.705 279 M HN 0.332 nan 8.290 nan 0.000 0.451 280 I N -1.101 119.507 120.570 0.063 0.000 2.607 280 I HA 0.838 5.006 4.170 -0.003 0.000 0.305 280 I C -0.285 175.925 176.117 0.156 0.000 0.995 280 I CA -0.441 60.930 61.300 0.118 0.000 1.148 280 I CB 2.062 40.158 38.000 0.161 0.000 1.323 280 I HN 0.623 nan 8.210 nan 0.000 0.461 281 S N 2.148 117.926 115.700 0.131 0.000 2.541 281 S HA 0.906 5.374 4.470 -0.003 0.000 0.271 281 S C -0.703 173.688 174.600 -0.349 0.000 1.133 281 S CA -0.161 58.026 58.200 -0.021 0.000 0.876 281 S CB 1.789 64.945 63.200 -0.073 0.000 1.105 281 S HN 1.307 nan 8.310 nan 0.000 0.470 282 G N 1.368 109.676 108.800 -0.820 0.000 2.673 282 G HA2 0.564 4.523 3.960 -0.003 0.000 0.292 282 G HA3 0.564 4.523 3.960 -0.003 0.000 0.292 282 G C -1.553 172.961 174.900 -0.644 0.000 1.450 282 G CA -0.448 44.010 45.100 -1.069 0.000 0.837 282 G HN 0.675 nan 8.290 nan 0.000 0.505 283 T N -0.038 114.290 114.554 -0.377 0.000 2.807 283 T HA 0.817 5.165 4.350 -0.003 0.000 0.279 283 T C 0.295 174.806 174.700 -0.314 0.000 0.993 283 T CA 0.104 62.054 62.100 -0.250 0.000 0.970 283 T CB 1.644 70.398 68.868 -0.190 0.000 0.950 283 T HN 1.246 nan 8.240 nan 0.000 0.441 284 G N 1.596 109.998 108.800 -0.663 0.000 2.645 284 G HA2 0.454 4.412 3.960 -0.003 0.000 0.292 284 G HA3 0.454 4.412 3.960 -0.003 0.000 0.292 284 G C -1.368 172.886 174.900 -1.077 0.000 1.415 284 G CA -0.820 43.713 45.100 -0.945 0.000 0.785 284 G HN 0.457 nan 8.290 nan 0.000 0.483 285 N N 0.715 119.014 118.700 -0.669 0.000 2.602 285 N HA 0.406 5.144 4.740 -0.003 0.000 0.238 285 N C -0.945 174.453 175.510 -0.186 0.000 1.084 285 N CA 0.082 52.931 53.050 -0.336 0.000 0.952 285 N CB -0.066 38.351 38.487 -0.117 0.000 1.244 285 N HN 0.301 nan 8.380 nan 0.000 0.512 286 F N -0.159 119.859 119.950 0.113 0.000 2.497 286 F HA 0.397 4.923 4.527 -0.002 0.000 0.331 286 F C 1.057 176.966 175.800 0.181 0.000 1.060 286 F CA -1.241 56.850 58.000 0.152 0.000 0.989 286 F CB 1.407 40.506 39.000 0.165 0.000 1.245 286 F HN -0.031 nan 8.300 nan 0.000 0.486 287 Q N 0.354 120.420 119.800 0.444 0.000 2.259 287 Q HA 0.367 4.705 4.340 -0.003 0.000 0.249 287 Q C -1.327 174.972 176.000 0.499 0.000 0.914 287 Q CA -0.411 55.639 55.803 0.411 0.000 0.904 287 Q CB 1.729 30.698 28.738 0.385 0.000 1.213 287 Q HN 0.560 nan 8.270 nan 0.000 0.428 288 H N 1.172 120.480 119.070 0.397 0.000 3.085 288 H HA 0.546 5.100 4.556 -0.003 0.000 0.356 288 H C -1.999 173.598 175.328 0.448 0.000 1.178 288 H CA -0.701 55.530 56.048 0.305 0.000 1.214 288 H CB 1.002 30.873 29.762 0.181 0.000 1.881 288 H HN 0.730 nan 8.280 nan 0.000 0.538 289 W N 2.119 123.117 121.300 -0.504 0.000 2.989 289 W HA 0.635 5.294 4.660 -0.003 0.000 0.344 289 W C -1.870 174.419 176.519 -0.384 0.000 1.233 289 W CA -1.027 56.130 57.345 -0.314 0.000 1.187 289 W CB 0.927 30.320 29.460 -0.111 0.000 1.443 289 W HN 0.620 nan 8.180 nan 0.000 0.573 290 S N 1.311 116.977 115.700 -0.057 0.000 2.449 290 S HA 0.211 4.679 4.470 -0.003 0.000 0.310 290 S C -1.044 173.524 174.600 -0.053 0.000 1.096 290 S CA -0.538 57.568 58.200 -0.157 0.000 1.095 290 S CB 0.616 63.781 63.200 -0.058 0.000 1.007 290 S HN 0.512 nan 8.310 nan 0.000 0.474 291 D N 4.534 124.727 120.400 -0.346 0.000 2.365 291 D HA 0.305 4.943 4.640 -0.003 0.000 0.237 291 D C 1.103 177.217 176.300 -0.310 0.000 1.190 291 D CA -0.192 53.580 54.000 -0.380 0.000 0.867 291 D CB 1.414 41.559 40.800 -1.092 0.000 1.050 291 D HN 0.634 nan 8.370 nan 0.000 0.491 292 A N 4.176 126.910 122.820 -0.142 0.000 1.902 292 A HA -0.244 4.075 4.320 -0.003 0.000 0.217 292 A C 1.986 179.506 177.584 -0.107 0.000 1.181 292 A CA 1.343 53.315 52.037 -0.108 0.000 0.623 292 A CB -0.335 18.630 19.000 -0.059 0.000 0.818 292 A HN 0.592 nan 8.150 nan 0.000 0.443 293 Q N 0.282 120.026 119.800 -0.093 0.000 2.061 293 Q HA -0.115 4.223 4.340 -0.003 0.000 0.204 293 Q C 1.148 177.118 176.000 -0.050 0.000 0.984 293 Q CA 2.166 57.937 55.803 -0.054 0.000 0.846 293 Q CB -0.156 28.570 28.738 -0.021 0.000 0.902 293 Q HN 0.677 nan 8.270 nan 0.000 0.421 294 N N -0.556 118.101 118.700 -0.073 0.000 2.177 294 N HA 0.046 4.785 4.740 -0.003 0.000 0.218 294 N C -0.693 174.827 175.510 0.017 0.000 1.182 294 N CA 0.271 53.333 53.050 0.019 0.000 0.882 294 N CB 0.622 39.224 38.487 0.190 0.000 1.052 294 N HN 0.202 nan 8.380 nan 0.000 0.519 295 N N 0.888 119.508 118.700 -0.133 0.000 2.746 295 N HA -0.196 4.542 4.740 -0.003 0.000 0.250 295 N C -1.275 174.249 175.510 0.023 0.000 1.055 295 N CA 0.475 53.463 53.050 -0.103 0.000 0.699 295 N CB -1.691 36.731 38.487 -0.107 0.000 0.919 295 N HN 0.389 nan 8.380 nan 0.000 0.548 296 F N -1.901 118.010 119.950 -0.066 0.000 2.650 296 F HA 0.862 5.388 4.527 -0.002 0.000 0.320 296 F C 0.123 175.831 175.800 -0.154 0.000 1.091 296 F CA -0.542 57.398 58.000 -0.099 0.000 0.962 296 F CB 1.136 40.037 39.000 -0.165 0.000 1.363 296 F HN 0.092 nan 8.300 nan 0.000 0.482 297 S N 0.440 116.164 115.700 0.039 0.000 2.599 297 S HA 0.912 5.380 4.470 -0.003 0.000 0.287 297 S C -1.599 172.845 174.600 -0.261 0.000 1.105 297 S CA -0.705 57.347 58.200 -0.246 0.000 0.899 297 S CB 1.775 64.855 63.200 -0.201 0.000 1.100 297 S HN 0.841 nan 8.310 nan 0.000 0.482 298 V N 1.120 120.600 119.914 -0.723 0.000 2.789 298 V HA 0.733 4.852 4.120 -0.003 0.000 0.311 298 V C -0.574 175.178 176.094 -0.569 0.000 1.073 298 V CA -0.536 61.355 62.300 -0.680 0.000 0.921 298 V CB 2.104 33.257 31.823 -1.117 0.000 1.009 298 V HN 1.087 nan 8.190 nan 0.000 0.426 299 T N 2.150 116.618 114.554 -0.144 0.000 2.861 299 T HA 0.468 4.816 4.350 -0.003 0.000 0.287 299 T C -0.767 173.987 174.700 0.089 0.000 1.003 299 T CA -0.348 61.807 62.100 0.092 0.000 0.977 299 T CB 1.335 70.318 68.868 0.191 0.000 0.996 299 T HN 0.730 nan 8.240 nan 0.000 0.448 300 C N 3.415 122.822 119.300 0.178 0.000 2.319 300 C HA 0.768 5.226 4.460 -0.003 0.000 0.323 300 C C 0.346 175.379 174.990 0.072 0.000 1.277 300 C CA -1.027 58.093 59.018 0.170 0.000 1.517 300 C CB -0.114 27.798 27.740 0.287 0.000 2.206 300 C HN 0.815 nan 8.230 nan 0.000 0.486 301 V N 1.997 121.868 119.914 -0.073 0.000 2.448 301 V HA 0.653 4.771 4.120 -0.003 0.000 0.295 301 V C -2.904 173.177 176.094 -0.021 0.000 1.025 301 V CA -2.373 59.773 62.300 -0.255 0.000 0.859 301 V CB 1.267 32.713 31.823 -0.628 0.000 0.988 301 V HN 0.673 nan 8.190 nan 0.000 0.431 302 P HA 0.357 nan 4.420 nan 0.000 0.271 302 P C 0.358 177.709 177.300 0.085 0.000 1.216 302 P CA -0.016 63.159 63.100 0.125 0.000 0.771 302 P CB 0.995 32.798 31.700 0.171 0.000 0.864 303 L N 1.072 122.346 121.223 0.086 0.000 2.575 303 L HA 0.392 4.730 4.340 -0.003 0.000 0.228 303 L C 1.241 178.156 176.870 0.074 0.000 1.075 303 L CA 0.407 55.291 54.840 0.074 0.000 0.867 303 L CB 0.095 42.227 42.059 0.121 0.000 1.097 303 L HN 0.548 nan 8.230 nan 0.000 0.485 304 G N -0.463 108.387 108.800 0.083 0.000 2.731 304 G HA2 0.162 4.121 3.960 -0.003 0.000 0.309 304 G HA3 0.162 4.121 3.960 -0.003 0.000 0.309 304 G C 0.040 174.984 174.900 0.073 0.000 1.273 304 G CA 0.126 45.268 45.100 0.070 0.000 0.798 304 G HN 0.106 nan 8.290 nan 0.000 0.509 305 E N -0.601 119.636 120.200 0.060 0.000 2.204 305 E HA -0.014 4.335 4.350 -0.003 0.000 0.194 305 E C 1.663 178.294 176.600 0.051 0.000 0.989 305 E CA 0.753 57.187 56.400 0.056 0.000 0.824 305 E CB 0.123 29.850 29.700 0.045 0.000 0.756 305 E HN 0.358 nan 8.360 nan 0.000 0.477 306 R N 0.029 120.554 120.500 0.042 0.000 2.487 306 R HA 0.356 4.694 4.340 -0.003 0.000 0.272 306 R C -0.159 176.156 176.300 0.026 0.000 0.928 306 R CA 0.239 56.353 56.100 0.024 0.000 1.077 306 R CB 1.432 31.732 30.300 -0.000 0.000 1.265 306 R HN 0.066 nan 8.270 nan 0.000 0.537 307 A N 1.094 123.949 122.820 0.059 0.000 2.305 307 A HA 0.595 4.914 4.320 -0.003 0.000 0.322 307 A C -0.467 177.195 177.584 0.130 0.000 1.187 307 A CA -0.131 51.956 52.037 0.084 0.000 0.825 307 A CB 1.210 20.276 19.000 0.110 0.000 1.164 307 A HN -0.027 nan 8.150 nan 0.000 0.498 308 T N 2.445 117.108 114.554 0.181 0.000 2.841 308 T HA 0.448 4.796 4.350 -0.003 0.000 0.285 308 T C -0.826 173.999 174.700 0.209 0.000 0.991 308 T CA -0.266 61.963 62.100 0.215 0.000 0.966 308 T CB 1.077 70.139 68.868 0.324 0.000 0.962 308 T HN 0.620 nan 8.240 nan 0.000 0.438 309 L N 4.846 126.150 121.223 0.134 0.000 2.265 309 L HA 0.611 4.949 4.340 -0.003 0.000 0.288 309 L C -1.250 175.709 176.870 0.148 0.000 1.058 309 L CA -0.256 54.658 54.840 0.125 0.000 0.809 309 L CB 0.160 42.234 42.059 0.026 0.000 1.179 309 L HN 0.554 nan 8.230 nan 0.000 0.429 310 L N 6.270 127.627 121.223 0.224 0.000 2.309 310 L HA 0.513 4.851 4.340 -0.003 0.000 0.282 310 L C -0.703 176.311 176.870 0.239 0.000 1.036 310 L CA -0.218 54.762 54.840 0.234 0.000 0.806 310 L CB 1.396 43.647 42.059 0.321 0.000 1.220 310 L HN 0.548 nan 8.230 nan 0.000 0.429 311 L N 5.038 126.351 121.223 0.150 0.000 2.372 311 L HA 0.529 4.868 4.340 -0.003 0.000 0.274 311 L C -1.008 175.899 176.870 0.062 0.000 0.988 311 L CA -0.399 54.527 54.840 0.143 0.000 0.833 311 L CB 1.807 43.877 42.059 0.020 0.000 1.236 311 L HN 0.441 nan 8.230 nan 0.000 0.410 312 I N 3.056 123.673 120.570 0.079 0.000 2.362 312 I HA 0.313 4.481 4.170 -0.003 0.000 0.289 312 I C -0.294 175.825 176.117 0.004 0.000 0.994 312 I CA -0.103 61.153 61.300 -0.073 0.000 1.158 312 I CB 1.696 39.488 38.000 -0.346 0.000 1.315 312 I HN 0.521 nan 8.210 nan 0.000 0.451 313 Q N 7.909 127.718 119.800 0.014 0.000 2.325 313 Q HA 0.453 4.791 4.340 -0.003 0.000 0.262 313 Q C -2.368 173.662 176.000 0.049 0.000 0.968 313 Q CA -1.925 53.908 55.803 0.051 0.000 0.877 313 Q CB 1.765 30.528 28.738 0.041 0.000 1.253 313 Q HN 0.340 nan 8.270 nan 0.000 0.448 314 P HA -0.067 nan 4.420 nan 0.000 0.272 314 P C -0.094 177.248 177.300 0.070 0.000 1.240 314 P CA 0.008 63.139 63.100 0.052 0.000 0.791 314 P CB 1.003 32.704 31.700 0.001 0.000 0.978 315 H N 0.329 119.406 119.070 0.012 0.000 2.389 315 H HA -0.034 4.520 4.556 -0.003 0.000 0.299 315 H C 0.542 175.852 175.328 -0.030 0.000 1.081 315 H CA 1.345 57.388 56.048 -0.009 0.000 1.345 315 H CB -0.101 29.654 29.762 -0.012 0.000 1.393 315 H HN 0.611 nan 8.280 nan 0.000 0.520 316 C N -2.124 117.161 119.300 -0.025 0.000 3.241 316 C HA 0.372 4.831 4.460 -0.003 0.000 0.312 316 C C 1.822 176.788 174.990 -0.040 0.000 1.350 316 C CA -1.097 57.867 59.018 -0.089 0.000 1.415 316 C CB 0.369 28.086 27.740 -0.039 0.000 1.770 316 C HN 0.383 nan 8.230 nan 0.000 0.466 317 I N 1.983 122.520 120.570 -0.056 0.000 2.286 317 I HA -0.154 4.015 4.170 -0.003 0.000 0.248 317 I C 2.616 178.727 176.117 -0.009 0.000 1.115 317 I CA 2.230 63.515 61.300 -0.025 0.000 1.392 317 I CB -0.383 37.607 38.000 -0.017 0.000 1.065 317 I HN 0.945 nan 8.210 nan 0.000 0.418 318 S N -0.547 115.147 115.700 -0.011 0.000 2.515 318 S HA -0.160 4.308 4.470 -0.003 0.000 0.231 318 S C 1.434 176.031 174.600 -0.006 0.000 0.987 318 S CA 1.021 59.218 58.200 -0.005 0.000 0.936 318 S CB -0.265 62.933 63.200 -0.004 0.000 0.766 318 S HN 0.356 nan 8.310 nan 0.000 0.528 319 D N 0.520 120.919 120.400 -0.002 0.000 2.340 319 D HA 0.177 4.815 4.640 -0.003 0.000 0.220 319 D C 1.437 177.716 176.300 -0.035 0.000 1.039 319 D CA -0.046 53.950 54.000 -0.007 0.000 0.866 319 D CB -0.176 40.636 40.800 0.020 0.000 0.913 319 D HN 0.366 nan 8.370 nan 0.000 0.523 320 L N 0.402 121.604 121.223 -0.035 0.000 2.012 320 L HA -0.172 4.167 4.340 -0.003 0.000 0.210 320 L C 1.416 178.233 176.870 -0.089 0.000 1.073 320 L CA 1.855 56.659 54.840 -0.061 0.000 0.748 320 L CB -0.331 41.710 42.059 -0.029 0.000 0.891 320 L HN -0.102 nan 8.230 nan 0.000 0.431 321 D N -0.641 119.722 120.400 -0.061 0.000 2.123 321 D HA -0.222 4.417 4.640 -0.003 0.000 0.196 321 D C 2.277 178.523 176.300 -0.090 0.000 0.992 321 D CA 1.365 55.327 54.000 -0.065 0.000 0.833 321 D CB -0.202 40.572 40.800 -0.043 0.000 0.954 321 D HN 0.369 nan 8.370 nan 0.000 0.455 322 R N 0.588 121.037 120.500 -0.084 0.000 2.073 322 R HA -0.099 4.239 4.340 -0.003 0.000 0.234 322 R C 2.182 178.389 176.300 -0.155 0.000 1.134 322 R CA 0.955 57.000 56.100 -0.092 0.000 0.952 322 R CB -0.236 30.028 30.300 -0.060 0.000 0.850 322 R HN 0.025 nan 8.270 nan 0.000 0.433 323 V N 1.232 121.028 119.914 -0.197 0.000 2.295 323 V HA -0.239 3.880 4.120 -0.003 0.000 0.246 323 V C 2.348 178.133 176.094 -0.515 0.000 1.049 323 V CA 2.212 64.293 62.300 -0.365 0.000 1.024 323 V CB -0.591 31.004 31.823 -0.381 0.000 0.648 323 V HN 0.490 nan 8.190 nan 0.000 0.447 324 E N 0.430 120.390 120.200 -0.400 0.000 2.058 324 E HA -0.253 4.096 4.350 -0.003 0.000 0.194 324 E C 2.210 178.639 176.600 -0.285 0.000 0.997 324 E CA 1.518 57.669 56.400 -0.415 0.000 0.801 324 E CB -0.268 29.335 29.700 -0.161 0.000 0.746 324 E HN 0.554 nan 8.360 nan 0.000 0.450 325 A N 0.829 123.548 122.820 -0.169 0.000 1.972 325 A HA -0.153 4.165 4.320 -0.003 0.000 0.219 325 A C 2.079 179.561 177.584 -0.169 0.000 1.169 325 A CA 1.303 53.276 52.037 -0.108 0.000 0.635 325 A CB -0.506 18.445 19.000 -0.080 0.000 0.810 325 A HN 0.402 nan 8.150 nan 0.000 0.446 326 L N -0.268 120.803 121.223 -0.253 0.000 2.049 326 L HA -0.036 4.302 4.340 -0.003 0.000 0.203 326 L C 2.361 179.016 176.870 -0.358 0.000 1.074 326 L CA 1.981 56.668 54.840 -0.255 0.000 0.749 326 L CB -0.483 41.434 42.059 -0.236 0.000 0.907 326 L HN 0.222 nan 8.230 nan 0.000 0.439 327 I N -1.250 118.923 120.570 -0.662 0.000 2.617 327 I HA -0.040 4.128 4.170 -0.003 0.000 0.256 327 I C 1.565 177.449 176.117 -0.389 0.000 1.167 327 I CA 0.554 61.279 61.300 -0.958 0.000 1.469 327 I CB -1.253 35.604 38.000 -1.905 0.000 1.098 327 I HN 0.196 nan 8.210 nan 0.000 0.436 328 F N 1.739 121.443 119.950 -0.410 0.000 2.986 328 F HA 0.433 4.958 4.527 -0.003 0.000 0.297 328 F C 0.794 176.308 175.800 -0.477 0.000 1.210 328 F CA -0.370 57.394 58.000 -0.392 0.000 1.346 328 F CB 0.080 38.986 39.000 -0.156 0.000 1.007 328 F HN 0.317 nan 8.300 nan 0.000 0.512 332 L N 1.212 122.427 121.223 -0.015 0.000 2.728 332 L HA 0.368 4.706 4.340 -0.003 0.000 0.238 332 L C 0.490 177.356 176.870 -0.006 0.000 1.143 332 L CA 0.104 54.994 54.840 0.083 0.000 0.937 332 L CB 0.522 42.632 42.059 0.086 0.000 1.225 332 L HN -0.031 nan 8.230 nan 0.000 0.507 333 L N 0.148 121.315 121.223 -0.093 0.000 3.717 333 L HA -0.284 4.055 4.340 -0.003 0.000 0.414 333 L C 1.602 178.183 176.870 -0.482 0.000 1.228 333 L CA 0.565 55.104 54.840 -0.501 0.000 0.918 333 L CB -2.051 39.711 42.059 -0.495 0.000 1.865 333 L HN 0.489 nan 8.230 nan 0.000 0.922 334 T N -3.997 110.455 114.554 -0.171 0.000 3.025 334 T HA -0.156 4.193 4.350 -0.003 0.000 0.270 334 T C 1.381 176.084 174.700 0.005 0.000 1.126 334 T CA 1.001 63.059 62.100 -0.070 0.000 1.105 334 T CB -0.344 68.533 68.868 0.016 0.000 0.884 334 T HN 0.750 nan 8.240 nan 0.000 0.522 335 W N 1.268 122.621 121.300 0.088 0.000 2.699 335 W HA 0.325 4.983 4.660 -0.003 0.000 0.249 335 W C 0.140 176.812 176.519 0.255 0.000 1.280 335 W CA -0.766 56.694 57.345 0.192 0.000 1.345 335 W CB -0.736 28.884 29.460 0.266 0.000 1.128 335 W HN 0.190 nan 8.180 nan 0.000 0.642 336 I N 3.185 123.585 120.570 -0.282 0.000 2.421 336 I HA 0.011 4.180 4.170 -0.003 0.000 0.291 336 I C 0.458 176.437 176.117 -0.229 0.000 1.089 336 I CA 0.615 61.794 61.300 -0.200 0.000 1.354 336 I CB 0.327 38.013 38.000 -0.523 0.000 1.413 336 I HN -0.093 nan 8.210 nan 0.000 0.513 337 E N 5.082 124.956 120.200 -0.542 0.000 2.267 337 E HA 0.273 4.621 4.350 -0.003 0.000 0.258 337 E C -0.259 175.970 176.600 -0.618 0.000 1.074 337 E CA -0.724 55.199 56.400 -0.795 0.000 0.915 337 E CB 1.009 29.874 29.700 -1.392 0.000 1.186 337 E HN 0.374 nan 8.360 nan 0.000 0.439 338 N N 1.140 119.594 118.700 -0.410 0.000 2.672 338 N HA 0.181 4.920 4.740 -0.003 0.000 0.295 338 N C -2.630 172.812 175.510 -0.114 0.000 1.924 338 N CA -1.321 51.622 53.050 -0.178 0.000 0.851 338 N CB 0.390 38.822 38.487 -0.092 0.000 1.281 338 N HN 0.222 nan 8.380 nan 0.000 0.494 339 P HA 0.379 nan 4.420 nan 0.000 0.274 339 P C -2.758 174.570 177.300 0.047 0.000 1.246 339 P CA -1.105 61.980 63.100 -0.025 0.000 0.795 339 P CB -0.139 31.575 31.700 0.023 0.000 1.006 340 P HA 0.192 nan 4.420 nan 0.000 0.265 340 P C -2.274 175.085 177.300 0.098 0.000 1.193 340 P CA -0.671 62.466 63.100 0.062 0.000 0.765 340 P CB -1.157 30.570 31.700 0.045 0.000 0.823 341 P HA 0.167 nan 4.420 nan 0.000 0.270 341 P C -0.252 177.101 177.300 0.088 0.000 1.223 341 P CA 0.034 63.210 63.100 0.126 0.000 0.785 341 P CB 0.531 32.298 31.700 0.111 0.000 0.923 342 R N -0.042 120.510 120.500 0.087 0.000 2.799 342 R HA 0.802 5.140 4.340 -0.003 0.000 0.270 342 R C -1.197 175.086 176.300 -0.028 0.000 1.010 342 R CA -1.331 54.792 56.100 0.038 0.000 0.916 342 R CB 1.042 31.383 30.300 0.069 0.000 1.228 342 R HN 0.310 nan 8.270 nan 0.000 0.469 343 A N 2.690 125.476 122.820 -0.057 0.000 2.476 343 A HA 0.323 4.642 4.320 -0.003 0.000 0.275 343 A C -0.138 177.390 177.584 -0.094 0.000 1.133 343 A CA -0.032 51.939 52.037 -0.111 0.000 0.797 343 A CB -0.305 18.645 19.000 -0.084 0.000 1.081 343 A HN 0.483 nan 8.150 nan 0.000 0.510 344 I N 2.671 123.160 120.570 -0.135 0.000 2.498 344 I HA 0.338 4.506 4.170 -0.003 0.000 0.290 344 I C 0.328 176.426 176.117 -0.032 0.000 1.032 344 I CA -0.389 60.890 61.300 -0.035 0.000 1.073 344 I CB 1.869 39.961 38.000 0.152 0.000 1.251 344 I HN 0.787 nan 8.210 nan 0.000 0.426 345 R N 5.595 126.077 120.500 -0.029 0.000 2.205 345 R HA 0.428 4.766 4.340 -0.003 0.000 0.342 345 R C -1.228 175.085 176.300 0.022 0.000 1.058 345 R CA -0.604 55.475 56.100 -0.035 0.000 0.904 345 R CB 0.704 30.965 30.300 -0.065 0.000 1.089 345 R HN 0.439 nan 8.270 nan 0.000 0.471 346 L N 4.048 125.328 121.223 0.094 0.000 2.275 346 L HA 0.451 4.789 4.340 -0.003 0.000 0.288 346 L C -1.031 175.909 176.870 0.117 0.000 1.046 346 L CA 0.334 55.268 54.840 0.158 0.000 0.805 346 L CB 1.992 44.260 42.059 0.348 0.000 1.193 346 L HN 0.598 nan 8.230 nan 0.000 0.426 347 T N 6.965 121.557 114.554 0.064 0.000 2.848 347 T HA 0.742 5.091 4.350 -0.003 0.000 0.285 347 T C -0.788 173.928 174.700 0.026 0.000 0.995 347 T CA -0.426 61.698 62.100 0.040 0.000 0.970 347 T CB 1.172 70.024 68.868 -0.028 0.000 0.976 347 T HN 0.689 nan 8.240 nan 0.000 0.441 348 L N 0.933 122.182 121.223 0.044 0.000 2.671 348 L HA 0.830 5.168 4.340 -0.003 0.000 0.259 348 L C -3.316 173.583 176.870 0.050 0.000 1.021 348 L CA -2.861 51.983 54.840 0.007 0.000 0.871 348 L CB 1.593 43.594 42.059 -0.096 0.000 1.472 348 L HN 0.238 nan 8.230 nan 0.000 0.410 349 P HA 0.062 nan 4.420 nan 0.000 0.268 349 P C -1.205 176.107 177.300 0.020 0.000 1.205 349 P CA 0.009 63.144 63.100 0.059 0.000 0.771 349 P CB 0.497 32.212 31.700 0.025 0.000 0.858 350 Q N 2.783 122.587 119.800 0.006 0.000 2.274 350 Q HA 0.082 4.420 4.340 -0.003 0.000 0.280 350 Q C -0.794 175.181 176.000 -0.043 0.000 1.047 350 Q CA 0.343 56.136 55.803 -0.018 0.000 0.907 350 Q CB 0.057 28.792 28.738 -0.005 0.000 1.171 350 Q HN 0.479 nan 8.270 nan 0.000 0.381 351 L N 4.611 125.790 121.223 -0.072 0.000 2.257 351 L HA 0.283 4.622 4.340 -0.003 0.000 0.290 351 L C 0.169 176.977 176.870 -0.103 0.000 1.044 351 L CA -0.237 54.538 54.840 -0.108 0.000 0.810 351 L CB 0.934 42.883 42.059 -0.184 0.000 1.193 351 L HN 0.404 nan 8.230 nan 0.000 0.425 352 E N 5.731 125.882 120.200 -0.082 0.000 2.346 352 E HA 0.426 4.774 4.350 -0.003 0.000 0.239 352 E C -0.723 175.846 176.600 -0.052 0.000 0.943 352 E CA -0.217 56.148 56.400 -0.059 0.000 0.751 352 E CB 1.888 31.567 29.700 -0.035 0.000 1.241 352 E HN 0.477 nan 8.360 nan 0.000 0.423 353 I N 2.366 122.900 120.570 -0.061 0.000 2.354 353 I HA 0.386 4.554 4.170 -0.003 0.000 0.292 353 I C 0.362 176.494 176.117 0.024 0.000 0.989 353 I CA -0.604 60.682 61.300 -0.024 0.000 1.188 353 I CB 1.329 39.307 38.000 -0.037 0.000 1.342 353 I HN -0.005 nan 8.210 nan 0.000 0.457 354 R N 4.031 124.562 120.500 0.051 0.000 2.599 354 R HA 0.797 5.135 4.340 -0.003 0.000 0.295 354 R C -0.420 175.943 176.300 0.105 0.000 0.963 354 R CA -0.758 55.390 56.100 0.080 0.000 0.883 354 R CB 2.349 32.689 30.300 0.067 0.000 1.171 354 R HN 0.843 nan 8.270 nan 0.000 0.450 355 G N -0.133 108.747 108.800 0.133 0.000 2.704 355 G HA2 0.493 4.451 3.960 -0.003 0.000 0.293 355 G HA3 0.493 4.451 3.960 -0.003 0.000 0.293 355 G C -1.565 173.414 174.900 0.132 0.000 1.421 355 G CA -0.353 44.836 45.100 0.149 0.000 0.870 355 G HN 0.389 nan 8.290 nan 0.000 0.492 356 S N -0.562 115.211 115.700 0.122 0.000 2.533 356 S HA 0.803 5.272 4.470 -0.003 0.000 0.271 356 S C -1.468 173.189 174.600 0.096 0.000 1.143 356 S CA -0.711 57.510 58.200 0.036 0.000 0.891 356 S CB 1.009 64.239 63.200 0.051 0.000 1.105 356 S HN 1.390 nan 8.310 nan 0.000 0.468 357 Y N 1.465 121.807 120.300 0.070 0.000 2.615 357 Y HA 0.708 5.256 4.550 -0.004 0.000 0.341 357 Y C -0.797 175.134 175.900 0.052 0.000 1.089 357 Y CA -1.324 56.807 58.100 0.053 0.000 1.049 357 Y CB 0.734 39.219 38.460 0.042 0.000 1.296 357 Y HN 0.523 nan 8.280 nan 0.000 0.470 358 N N 2.106 120.953 118.700 0.245 0.000 2.426 358 N HA 0.112 4.850 4.740 -0.003 0.000 0.257 358 N C 0.369 176.046 175.510 0.279 0.000 1.002 358 N CA -0.502 52.654 53.050 0.177 0.000 0.942 358 N CB 1.435 39.988 38.487 0.111 0.000 1.112 358 N HN 0.916 nan 8.380 nan 0.000 0.499 359 L N 3.675 125.065 121.223 0.279 0.000 2.129 359 L HA -0.154 4.185 4.340 -0.003 0.000 0.212 359 L C 1.875 178.790 176.870 0.075 0.000 1.087 359 L CA 1.748 56.723 54.840 0.225 0.000 0.757 359 L CB -0.461 41.698 42.059 0.167 0.000 0.896 359 L HN 0.627 nan 8.230 nan 0.000 0.434 360 Q N -0.392 119.433 119.800 0.042 0.000 2.112 360 Q HA -0.223 4.115 4.340 -0.003 0.000 0.206 360 Q C 1.856 177.861 176.000 0.008 0.000 0.987 360 Q CA 1.940 57.741 55.803 -0.003 0.000 0.858 360 Q CB -0.451 28.285 28.738 -0.002 0.000 0.905 360 Q HN 0.617 nan 8.270 nan 0.000 0.420 361 D N 0.464 120.887 120.400 0.037 0.000 2.117 361 D HA -0.076 4.562 4.640 -0.003 0.000 0.198 361 D C 2.178 178.477 176.300 -0.002 0.000 0.982 361 D CA 0.660 54.674 54.000 0.023 0.000 0.828 361 D CB -0.219 40.607 40.800 0.043 0.000 0.967 361 D HN 0.212 nan 8.370 nan 0.000 0.464 362 L N 0.351 121.571 121.223 -0.005 0.000 2.131 362 L HA -0.105 4.233 4.340 -0.003 0.000 0.210 362 L C 2.545 179.389 176.870 -0.043 0.000 1.092 362 L CA 0.583 55.389 54.840 -0.057 0.000 0.759 362 L CB -0.378 41.609 42.059 -0.120 0.000 0.903 362 L HN 0.033 nan 8.230 nan 0.000 0.435 363 L N -0.300 120.906 121.223 -0.029 0.000 2.056 363 L HA -0.154 4.184 4.340 -0.003 0.000 0.207 363 L C 2.916 179.768 176.870 -0.031 0.000 1.078 363 L CA 1.065 55.884 54.840 -0.035 0.000 0.749 363 L CB -0.665 41.365 42.059 -0.048 0.000 0.901 363 L HN 0.220 nan 8.230 nan 0.000 0.433 364 A N -0.056 122.748 122.820 -0.027 0.000 1.877 364 A HA -0.258 4.060 4.320 -0.003 0.000 0.216 364 A C 2.169 179.739 177.584 -0.024 0.000 1.186 364 A CA 1.854 53.877 52.037 -0.023 0.000 0.620 364 A CB -0.499 18.490 19.000 -0.017 0.000 0.822 364 A HN 0.356 nan 8.150 nan 0.000 0.443 365 E N 0.279 120.462 120.200 -0.028 0.000 2.160 365 E HA -0.208 4.140 4.350 -0.003 0.000 0.195 365 E C 1.098 177.679 176.600 -0.032 0.000 0.991 365 E CA 1.432 57.813 56.400 -0.033 0.000 0.810 365 E CB -0.263 29.410 29.700 -0.045 0.000 0.742 365 E HN 0.494 nan 8.360 nan 0.000 0.466 366 D N -0.170 120.211 120.400 -0.032 0.000 2.324 366 D HA -0.008 4.631 4.640 -0.003 0.000 0.235 366 D C -0.355 175.932 176.300 -0.022 0.000 1.095 366 D CA 0.192 54.176 54.000 -0.027 0.000 0.871 366 D CB -0.175 40.609 40.800 -0.027 0.000 0.906 366 D HN 0.132 nan 8.370 nan 0.000 0.522 367 K N -0.505 119.883 120.400 -0.021 0.000 3.069 367 K HA -0.192 4.126 4.320 -0.003 0.000 0.267 367 K C -0.142 176.448 176.600 -0.017 0.000 1.082 367 K CA 0.356 56.633 56.287 -0.017 0.000 0.782 367 K CB -1.709 30.782 32.500 -0.014 0.000 1.230 367 K HN 0.320 nan 8.250 nan 0.000 0.488 368 L N -0.199 121.011 121.223 -0.021 0.000 3.083 368 L HA 0.155 4.493 4.340 -0.003 0.000 0.286 368 L C -1.269 175.582 176.870 -0.031 0.000 1.307 368 L CA -1.222 53.604 54.840 -0.024 0.000 0.897 368 L CB 0.631 42.675 42.059 -0.025 0.000 1.306 368 L HN -0.054 nan 8.230 nan 0.000 0.569 369 P HA -0.126 nan 4.420 nan 0.000 0.222 369 P C 1.193 178.472 177.300 -0.035 0.000 1.147 369 P CA 1.245 64.327 63.100 -0.029 0.000 0.790 369 P CB 0.044 31.732 31.700 -0.021 0.000 0.780 370 T N -4.435 110.100 114.554 -0.032 0.000 3.105 370 T HA 0.171 4.519 4.350 -0.003 0.000 0.253 370 T C 1.583 176.257 174.700 -0.044 0.000 1.047 370 T CA -0.351 61.729 62.100 -0.034 0.000 0.944 370 T CB -0.789 68.065 68.868 -0.023 0.000 1.016 370 T HN -0.052 nan 8.240 nan 0.000 0.544 371 L N 0.555 121.747 121.223 -0.053 0.000 1.994 371 L HA 0.228 4.566 4.340 -0.003 0.000 0.208 371 L C 1.300 178.113 176.870 -0.095 0.000 1.071 371 L CA 1.484 56.288 54.840 -0.061 0.000 0.745 371 L CB -0.087 41.936 42.059 -0.061 0.000 0.892 371 L HN 0.333 nan 8.230 nan 0.000 0.431 372 L N 0.406 121.543 121.223 -0.144 0.000 2.978 372 L HA 0.267 4.605 4.340 -0.003 0.000 0.239 372 L C 0.868 177.659 176.870 -0.132 0.000 1.293 372 L CA -0.442 54.273 54.840 -0.209 0.000 1.085 372 L CB -0.281 41.539 42.059 -0.398 0.000 1.432 372 L HN 0.207 nan 8.230 nan 0.000 0.512 373 G N -0.596 108.156 108.800 -0.080 0.000 2.510 373 G HA2 0.381 4.340 3.960 -0.003 0.000 0.280 373 G HA3 0.381 4.340 3.960 -0.003 0.000 0.280 373 G C 1.023 175.902 174.900 -0.036 0.000 1.386 373 G CA 0.253 45.322 45.100 -0.051 0.000 1.047 373 G HN 0.214 nan 8.290 nan 0.000 0.527 374 A N -1.233 121.573 122.820 -0.023 0.000 2.019 374 A HA 0.024 4.343 4.320 -0.003 0.000 0.219 374 A C 1.904 179.483 177.584 -0.009 0.000 1.164 374 A CA 1.757 53.786 52.037 -0.013 0.000 0.644 374 A CB -0.270 18.724 19.000 -0.008 0.000 0.805 374 A HN 0.655 nan 8.150 nan 0.000 0.449 375 E N -0.298 119.895 120.200 -0.012 0.000 2.479 375 E HA 0.310 4.658 4.350 -0.003 0.000 0.193 375 E C 0.536 177.130 176.600 -0.010 0.000 1.049 375 E CA -0.045 56.351 56.400 -0.008 0.000 0.870 375 E CB 0.055 29.750 29.700 -0.007 0.000 0.944 375 E HN 0.597 nan 8.360 nan 0.000 0.492 376 A N 1.974 124.784 122.820 -0.017 0.000 2.546 376 A HA -0.045 4.273 4.320 -0.003 0.000 0.243 376 A C 0.268 177.849 177.584 -0.005 0.000 1.063 376 A CA -0.031 51.995 52.037 -0.017 0.000 0.757 376 A CB 0.064 19.043 19.000 -0.035 0.000 0.991 376 A HN 0.090 nan 8.150 nan 0.000 0.503 377 N N 2.495 121.192 118.700 -0.004 0.000 2.439 377 N HA 0.294 5.032 4.740 -0.003 0.000 0.243 377 N C -0.590 174.916 175.510 -0.007 0.000 1.088 377 N CA -0.004 53.043 53.050 -0.005 0.000 0.940 377 N CB 0.086 38.566 38.487 -0.011 0.000 1.180 377 N HN 0.574 nan 8.380 nan 0.000 0.505 378 L N 2.940 124.162 121.223 -0.001 0.000 3.168 378 L HA 0.316 4.654 4.340 -0.003 0.000 0.277 378 L C 1.162 178.006 176.870 -0.043 0.000 1.308 378 L CA -0.274 54.557 54.840 -0.015 0.000 0.976 378 L CB 0.115 42.196 42.059 0.037 0.000 1.383 378 L HN 0.333 nan 8.230 nan 0.000 0.572 379 N N 0.649 119.326 118.700 -0.037 0.000 2.571 379 N HA -0.037 4.701 4.740 -0.003 0.000 0.189 379 N C 0.780 176.252 175.510 -0.063 0.000 1.154 379 N CA 0.572 53.601 53.050 -0.036 0.000 0.907 379 N CB 0.266 38.738 38.487 -0.025 0.000 0.977 379 N HN 0.403 nan 8.380 nan 0.000 0.449 380 N N 0.380 119.023 118.700 -0.095 0.000 2.270 380 N HA 0.200 4.938 4.740 -0.003 0.000 0.198 380 N C 1.423 176.815 175.510 -0.195 0.000 1.117 380 N CA -0.071 52.922 53.050 -0.094 0.000 0.845 380 N CB 0.507 38.961 38.487 -0.055 0.000 0.980 380 N HN 0.321 nan 8.380 nan 0.000 0.486 381 I N -1.018 119.355 120.570 -0.329 0.000 2.494 381 I HA 0.098 4.267 4.170 -0.003 0.000 0.250 381 I C 1.359 177.370 176.117 -0.177 0.000 1.112 381 I CA 0.459 61.394 61.300 -0.609 0.000 1.438 381 I CB 0.197 37.837 38.000 -0.600 0.000 1.111 381 I HN 0.043 nan 8.210 nan 0.000 0.431 382 G N -0.988 107.749 108.800 -0.105 0.000 2.782 382 G HA2 0.122 4.080 3.960 -0.003 0.000 0.304 382 G HA3 0.122 4.080 3.960 -0.003 0.000 0.304 382 G C -0.680 174.039 174.900 -0.301 0.000 1.315 382 G CA -0.209 44.719 45.100 -0.285 0.000 0.791 382 G HN -0.159 nan 8.290 nan 0.000 0.519 383 D N -0.182 119.937 120.400 -0.469 0.000 2.269 383 D HA 0.121 4.759 4.640 -0.003 0.000 0.208 383 D C 1.352 177.532 176.300 -0.201 0.000 0.963 383 D CA 1.511 55.339 54.000 -0.287 0.000 0.864 383 D CB 0.257 40.883 40.800 -0.289 0.000 0.936 383 D HN 0.529 nan 8.370 nan 0.000 0.505 384 T N -2.503 111.923 114.554 -0.213 0.000 2.901 384 T HA 0.335 4.683 4.350 -0.003 0.000 0.293 384 T C -0.288 174.495 174.700 0.137 0.000 1.084 384 T CA -1.050 61.046 62.100 -0.007 0.000 1.008 384 T CB 1.678 70.580 68.868 0.058 0.000 1.170 384 T HN -0.282 nan 8.240 nan 0.000 0.509 385 N N 3.141 121.911 118.700 0.117 0.000 2.438 385 N HA 0.285 5.023 4.740 -0.003 0.000 0.267 385 N C -2.065 173.549 175.510 0.174 0.000 1.222 385 N CA -1.274 51.847 53.050 0.120 0.000 0.930 385 N CB 0.207 38.728 38.487 0.056 0.000 1.083 385 N HN 0.457 nan 8.380 nan 0.000 0.476 386 P HA 0.124 nan 4.420 nan 0.000 0.272 386 P C -0.747 176.534 177.300 -0.032 0.000 1.230 386 P CA -0.347 62.728 63.100 -0.040 0.000 0.788 386 P CB 0.687 32.283 31.700 -0.172 0.000 0.949 387 R N 1.802 122.256 120.500 -0.077 0.000 2.239 387 R HA 0.348 4.687 4.340 -0.003 0.000 0.332 387 R C -1.070 175.208 176.300 -0.037 0.000 0.988 387 R CA -0.653 55.425 56.100 -0.037 0.000 0.859 387 R CB -0.431 29.853 30.300 -0.027 0.000 1.148 387 R HN 0.180 nan 8.270 nan 0.000 0.482 388 V N 5.510 125.422 119.914 -0.004 0.000 2.455 388 V HA 0.361 4.480 4.120 -0.003 0.000 0.273 388 V C 1.260 177.370 176.094 0.026 0.000 1.045 388 V CA 0.351 62.673 62.300 0.036 0.000 0.976 388 V CB 0.835 32.684 31.823 0.043 0.000 0.993 388 V HN 0.949 nan 8.190 nan 0.000 0.475 389 G N 4.579 113.411 108.800 0.053 0.000 3.229 389 G HA2 0.190 4.149 3.960 -0.003 0.000 0.165 389 G HA3 0.190 4.149 3.960 -0.003 0.000 0.165 389 G C 0.249 175.193 174.900 0.073 0.000 1.753 389 G CA -0.289 44.842 45.100 0.052 0.000 1.054 389 G HN 0.808 nan 8.290 nan 0.000 0.544 390 E N -0.733 119.524 120.200 0.096 0.000 2.398 390 E HA 0.315 4.664 4.350 -0.003 0.000 0.263 390 E C -1.171 175.531 176.600 0.170 0.000 1.046 390 E CA -0.376 56.090 56.400 0.110 0.000 0.908 390 E CB 1.481 31.245 29.700 0.106 0.000 0.963 390 E HN 0.024 nan 8.360 nan 0.000 0.431 391 V N 4.676 124.678 119.914 0.147 0.000 2.320 391 V HA 0.194 4.312 4.120 -0.003 0.000 0.268 391 V C -0.155 176.021 176.094 0.137 0.000 1.021 391 V CA -0.531 61.896 62.300 0.211 0.000 0.813 391 V CB 0.090 32.001 31.823 0.147 0.000 1.054 391 V HN 0.596 nan 8.190 nan 0.000 0.444 392 L N 3.429 124.712 121.223 0.100 0.000 2.350 392 L HA 0.522 4.860 4.340 -0.003 0.000 0.275 392 L C 0.243 177.011 176.870 -0.170 0.000 1.099 392 L CA -0.059 54.746 54.840 -0.058 0.000 0.808 392 L CB 1.090 43.110 42.059 -0.065 0.000 1.149 392 L HN 0.561 nan 8.230 nan 0.000 0.442 393 N N 1.090 119.544 118.700 -0.409 0.000 2.354 393 N HA 0.437 5.176 4.740 -0.003 0.000 0.287 393 N C -1.409 173.853 175.510 -0.412 0.000 1.016 393 N CA -0.427 52.367 53.050 -0.426 0.000 0.871 393 N CB 1.968 40.111 38.487 -0.573 0.000 1.299 393 N HN 0.472 nan 8.380 nan 0.000 0.482 394 S N 1.906 117.502 115.700 -0.173 0.000 2.538 394 S HA 0.572 5.041 4.470 -0.003 0.000 0.288 394 S C -0.738 173.957 174.600 0.159 0.000 1.108 394 S CA -0.518 57.687 58.200 0.008 0.000 0.971 394 S CB 1.369 64.627 63.200 0.097 0.000 1.041 394 S HN 0.349 nan 8.310 nan 0.000 0.483 395 I N 2.605 123.287 120.570 0.187 0.000 2.608 395 I HA 0.493 4.661 4.170 -0.003 0.000 0.295 395 I C -1.458 174.760 176.117 0.169 0.000 1.049 395 I CA -0.904 60.534 61.300 0.230 0.000 1.063 395 I CB 1.988 40.168 38.000 0.299 0.000 1.248 395 I HN 0.363 nan 8.210 nan 0.000 0.424 396 L N 7.253 128.552 121.223 0.127 0.000 2.377 396 L HA 0.569 4.907 4.340 -0.003 0.000 0.270 396 L C -1.514 175.382 176.870 0.043 0.000 0.991 396 L CA -0.298 54.585 54.840 0.071 0.000 0.851 396 L CB 1.416 43.492 42.059 0.028 0.000 1.218 396 L HN 0.545 nan 8.230 nan 0.000 0.420 397 L N 4.649 125.849 121.223 -0.038 0.000 2.296 397 L HA 0.625 4.963 4.340 -0.003 0.000 0.286 397 L C -0.859 175.958 176.870 -0.088 0.000 1.023 397 L CA -0.111 54.649 54.840 -0.133 0.000 0.812 397 L CB 1.166 43.003 42.059 -0.370 0.000 1.223 397 L HN 0.660 nan 8.230 nan 0.000 0.421 398 E N 5.863 126.027 120.200 -0.060 0.000 2.216 398 E HA 0.334 4.682 4.350 -0.003 0.000 0.260 398 E C -1.448 175.107 176.600 -0.075 0.000 0.880 398 E CA -0.799 55.559 56.400 -0.071 0.000 0.765 398 E CB 2.497 32.166 29.700 -0.052 0.000 1.174 398 E HN 0.337 nan 8.360 nan 0.000 0.417 399 L N 3.742 124.914 121.223 -0.086 0.000 2.313 399 L HA 0.299 4.637 4.340 -0.003 0.000 0.273 399 L C -0.426 176.385 176.870 -0.098 0.000 1.028 399 L CA -0.292 54.491 54.840 -0.095 0.000 0.871 399 L CB 0.545 42.525 42.059 -0.132 0.000 1.242 399 L HN 0.315 nan 8.230 nan 0.000 0.434 400 K N 2.035 122.381 120.400 -0.090 0.000 2.143 400 K HA 0.704 5.023 4.320 -0.003 0.000 0.272 400 K C 0.025 176.597 176.600 -0.047 0.000 1.001 400 K CA -0.580 55.671 56.287 -0.060 0.000 0.915 400 K CB 1.328 33.797 32.500 -0.052 0.000 1.047 400 K HN 0.621 nan 8.250 nan 0.000 0.458 401 A N 1.676 124.494 122.820 -0.004 0.000 2.488 401 A HA 0.174 4.492 4.320 -0.003 0.000 0.249 401 A C 1.218 178.835 177.584 0.054 0.000 1.083 401 A CA 0.211 52.281 52.037 0.055 0.000 0.768 401 A CB 0.091 19.143 19.000 0.087 0.000 1.017 401 A HN 0.972 nan 8.150 nan 0.000 0.496 402 G N 1.667 110.521 108.800 0.089 0.000 2.572 402 G HA2 0.147 4.105 3.960 -0.003 0.000 0.216 402 G HA3 0.147 4.105 3.960 -0.003 0.000 0.216 402 G C 0.438 175.377 174.900 0.066 0.000 1.133 402 G CA 0.444 45.586 45.100 0.070 0.000 0.791 402 G HN 0.784 nan 8.290 nan 0.000 0.538 403 E N -0.297 119.951 120.200 0.079 0.000 2.256 403 E HA 0.369 4.717 4.350 -0.003 0.000 0.267 403 E C -1.018 175.610 176.600 0.046 0.000 0.892 403 E CA -0.638 55.795 56.400 0.056 0.000 0.775 403 E CB 2.111 31.844 29.700 0.056 0.000 1.207 403 E HN 0.115 nan 8.360 nan 0.000 0.420 404 E N 1.385 121.604 120.200 0.032 0.000 2.366 404 E HA -0.017 4.332 4.350 -0.003 0.000 0.266 404 E C -0.530 176.087 176.600 0.028 0.000 1.051 404 E CA -0.081 56.335 56.400 0.027 0.000 0.884 404 E CB 0.764 30.476 29.700 0.020 0.000 1.006 404 E HN 0.356 nan 8.360 nan 0.000 0.417 405 E N 3.190 123.407 120.200 0.028 0.000 2.292 405 E HA -0.073 4.275 4.350 -0.003 0.000 0.265 405 E C -0.431 176.182 176.600 0.021 0.000 1.093 405 E CA 0.083 56.500 56.400 0.028 0.000 0.922 405 E CB 0.518 30.238 29.700 0.033 0.000 1.001 405 E HN 0.378 nan 8.360 nan 0.000 0.444 418 E N 2.071 122.250 120.200 -0.035 0.000 2.417 418 E HA 0.465 4.813 4.350 -0.003 0.000 0.261 418 E C -0.541 176.034 176.600 -0.042 0.000 1.000 418 E CA 0.155 56.535 56.400 -0.033 0.000 0.919 418 E CB 0.386 30.071 29.700 -0.024 0.000 0.955 418 E HN 0.567 nan 8.360 nan 0.000 0.455 419 A N 4.180 126.973 122.820 -0.045 0.000 2.606 419 A HA 0.441 4.760 4.320 -0.003 0.000 0.293 419 A C -1.573 175.983 177.584 -0.048 0.000 1.082 419 A CA -0.897 51.108 52.037 -0.053 0.000 0.685 419 A CB 1.104 20.060 19.000 -0.073 0.000 1.284 419 A HN 0.616 nan 8.150 nan 0.000 0.408 420 L N 1.157 122.348 121.223 -0.053 0.000 2.360 420 L HA 0.431 4.770 4.340 -0.003 0.000 0.276 420 L C -0.915 175.906 176.870 -0.081 0.000 1.121 420 L CA 0.081 54.880 54.840 -0.068 0.000 0.845 420 L CB 0.369 42.374 42.059 -0.090 0.000 1.143 420 L HN 0.541 nan 8.230 nan 0.000 0.452 421 D N 4.891 125.248 120.400 -0.071 0.000 2.295 421 D HA 0.281 4.920 4.640 -0.003 0.000 0.248 421 D C -0.655 175.596 176.300 -0.082 0.000 1.154 421 D CA 0.108 54.071 54.000 -0.062 0.000 0.857 421 D CB 1.571 42.346 40.800 -0.043 0.000 1.117 421 D HN 0.298 nan 8.370 nan 0.000 0.468 422 V N 2.832 122.702 119.914 -0.073 0.000 2.409 422 V HA 0.400 4.519 4.120 -0.003 0.000 0.291 422 V C 0.171 176.245 176.094 -0.034 0.000 1.020 422 V CA -0.457 61.803 62.300 -0.068 0.000 0.848 422 V CB 1.908 33.682 31.823 -0.082 0.000 0.990 422 V HN 0.476 nan 8.190 nan 0.000 0.430 423 T N 6.191 120.723 114.554 -0.036 0.000 2.881 423 T HA 0.513 4.862 4.350 -0.003 0.000 0.291 423 T C -0.598 174.076 174.700 -0.043 0.000 0.990 423 T CA -0.367 61.715 62.100 -0.030 0.000 0.976 423 T CB 1.281 70.139 68.868 -0.017 0.000 0.970 423 T HN 0.236 nan 8.240 nan 0.000 0.438 424 L N 4.086 125.271 121.223 -0.064 0.000 2.352 424 L HA 0.344 4.683 4.340 -0.003 0.000 0.272 424 L C 1.143 178.067 176.870 0.090 0.000 1.109 424 L CA 0.138 54.922 54.840 -0.094 0.000 0.952 424 L CB 0.336 42.138 42.059 -0.428 0.000 1.314 424 L HN 0.822 nan 8.230 nan 0.000 0.427 425 S N -1.190 114.505 115.700 -0.010 0.000 2.754 425 S HA 0.449 4.917 4.470 -0.003 0.000 0.247 425 S C 0.294 174.550 174.600 -0.573 0.000 1.031 425 S CA -0.025 58.113 58.200 -0.103 0.000 1.014 425 S CB 0.150 63.392 63.200 0.070 0.000 0.918 425 S HN 0.449 nan 8.310 nan 0.000 0.519 426 S N -0.272 115.073 115.700 -0.592 0.000 2.656 426 S HA 0.758 5.226 4.470 -0.003 0.000 0.273 426 S C -3.505 171.041 174.600 -0.091 0.000 1.168 426 S CA -1.530 56.318 58.200 -0.585 0.000 0.817 426 S CB 0.457 63.534 63.200 -0.204 0.000 1.146 426 S HN 0.021 nan 8.310 nan 0.000 0.475 427 P HA 0.389 nan 4.420 nan 0.000 0.266 427 P C -0.823 176.662 177.300 0.309 0.000 1.193 427 P CA 0.095 63.365 63.100 0.284 0.000 0.770 427 P CB -0.089 31.705 31.700 0.157 0.000 0.836 428 F N 0.136 120.196 119.950 0.184 0.000 2.715 428 F HA 0.694 5.220 4.527 -0.002 0.000 0.318 428 F C -1.844 174.040 175.800 0.140 0.000 1.141 428 F CA -1.434 56.636 58.000 0.116 0.000 0.950 428 F CB 0.813 39.894 39.000 0.136 0.000 1.374 428 F HN -0.045 nan 8.300 nan 0.000 0.477 429 L N 1.876 123.239 121.223 0.234 0.000 2.330 429 L HA 0.752 5.090 4.340 -0.003 0.000 0.271 429 L C -0.986 176.125 176.870 0.403 0.000 1.013 429 L CA -0.994 53.923 54.840 0.128 0.000 0.816 429 L CB 1.891 43.839 42.059 -0.185 0.000 1.287 429 L HN 0.803 nan 8.230 nan 0.000 0.435 430 F N 0.079 120.204 119.950 0.292 0.000 2.613 430 F HA 0.954 5.480 4.527 -0.002 0.000 0.310 430 F C -0.898 175.071 175.800 0.282 0.000 1.085 430 F CA -0.933 57.241 58.000 0.290 0.000 0.945 430 F CB 1.694 40.857 39.000 0.271 0.000 1.298 430 F HN 0.494 nan 8.300 nan 0.000 0.455 431 A N 2.640 125.693 122.820 0.389 0.000 2.539 431 A HA 0.850 5.169 4.320 -0.003 0.000 0.296 431 A C -1.706 176.081 177.584 0.340 0.000 1.073 431 A CA -0.837 51.361 52.037 0.268 0.000 0.700 431 A CB 1.501 20.677 19.000 0.293 0.000 1.296 431 A HN 0.822 nan 8.150 nan 0.000 0.405 432 I N 1.322 122.073 120.570 0.302 0.000 2.433 432 I HA 0.480 4.648 4.170 -0.003 0.000 0.292 432 I C -1.196 175.120 176.117 0.332 0.000 1.001 432 I CA -0.526 60.926 61.300 0.253 0.000 1.119 432 I CB 1.811 39.856 38.000 0.076 0.000 1.289 432 I HN 0.690 nan 8.210 nan 0.000 0.438 433 Y N 5.872 126.268 120.300 0.159 0.000 2.457 433 Y HA 0.421 4.969 4.550 -0.003 0.000 0.343 433 Y C -0.891 175.108 175.900 0.164 0.000 0.994 433 Y CA -0.826 57.371 58.100 0.162 0.000 1.031 433 Y CB 1.656 40.195 38.460 0.130 0.000 1.246 433 Y HN 0.468 nan 8.280 nan 0.000 0.449 434 E N 5.423 125.434 120.200 -0.316 0.000 2.134 434 E HA 0.184 4.532 4.350 -0.003 0.000 0.278 434 E C -0.181 176.060 176.600 -0.599 0.000 0.959 434 E CA -0.144 56.088 56.400 -0.279 0.000 0.783 434 E CB 1.716 31.422 29.700 0.010 0.000 1.095 434 E HN 1.031 nan 8.360 nan 0.000 0.399 435 Q N 2.544 122.126 119.800 -0.363 0.000 2.050 435 Q HA -0.170 4.168 4.340 -0.003 0.000 0.202 435 Q C 0.782 176.687 176.000 -0.159 0.000 0.980 435 Q CA 1.671 57.322 55.803 -0.252 0.000 0.840 435 Q CB 0.190 28.907 28.738 -0.034 0.000 0.898 435 Q HN 0.503 nan 8.270 nan 0.000 0.424 436 D N 0.130 120.467 120.400 -0.106 0.000 2.084 436 D HA -0.124 4.514 4.640 -0.003 0.000 0.196 436 D C 2.126 178.387 176.300 -0.065 0.000 0.985 436 D CA 1.857 55.822 54.000 -0.058 0.000 0.826 436 D CB -0.245 40.533 40.800 -0.037 0.000 0.978 436 D HN 0.244 nan 8.370 nan 0.000 0.456 437 S N -1.219 114.428 115.700 -0.089 0.000 2.478 437 S HA 0.221 4.690 4.470 -0.003 0.000 0.222 437 S C 1.811 176.356 174.600 -0.091 0.000 1.008 437 S CA 0.759 58.913 58.200 -0.076 0.000 0.928 437 S CB 0.318 63.477 63.200 -0.068 0.000 0.781 437 S HN 0.342 nan 8.310 nan 0.000 0.518 438 G N 1.173 109.864 108.800 -0.182 0.000 2.147 438 G HA2 -0.227 3.732 3.960 -0.003 0.000 0.244 438 G HA3 -0.227 3.732 3.960 -0.003 0.000 0.244 438 G C 0.051 174.906 174.900 -0.074 0.000 1.005 438 G CA 0.278 45.295 45.100 -0.139 0.000 0.713 438 G HN 0.629 nan 8.290 nan 0.000 0.515 439 T N 1.062 115.510 114.554 -0.177 0.000 2.834 439 T HA 0.450 4.798 4.350 -0.003 0.000 0.298 439 T C 0.875 175.485 174.700 -0.151 0.000 0.966 439 T CA -0.053 61.919 62.100 -0.214 0.000 1.141 439 T CB 1.263 69.919 68.868 -0.353 0.000 0.905 439 T HN 0.306 nan 8.240 nan 0.000 0.535 440 L N 4.500 125.647 121.223 -0.127 0.000 2.315 440 L HA 0.214 4.552 4.340 -0.003 0.000 0.283 440 L C 1.640 178.351 176.870 -0.264 0.000 1.089 440 L CA -0.504 54.303 54.840 -0.055 0.000 0.833 440 L CB 0.462 42.442 42.059 -0.132 0.000 1.170 440 L HN 0.815 nan 8.230 nan 0.000 0.442 441 H N 3.697 122.696 119.070 -0.120 0.000 2.448 441 H HA 0.143 4.697 4.556 -0.002 0.000 0.292 441 H C -0.381 174.556 175.328 -0.652 0.000 1.035 441 H CA 0.911 56.777 56.048 -0.304 0.000 1.349 441 H CB 0.484 30.146 29.762 -0.167 0.000 1.425 441 H HN 0.319 nan 8.280 nan 0.000 0.539 442 F N 0.712 120.655 119.950 -0.011 0.000 2.601 442 F HA 0.304 4.829 4.527 -0.003 0.000 0.309 442 F C -0.932 174.741 175.800 -0.211 0.000 1.089 442 F CA -1.333 56.628 58.000 -0.065 0.000 0.940 442 F CB 1.854 40.868 39.000 0.024 0.000 1.273 442 F HN -0.251 nan 8.300 nan 0.000 0.450 443 L N 0.659 121.739 121.223 -0.239 0.000 2.371 443 L HA 1.122 5.461 4.340 -0.003 0.000 0.262 443 L C -0.411 175.982 176.870 -0.795 0.000 1.006 443 L CA -1.497 52.903 54.840 -0.733 0.000 0.818 443 L CB 1.119 42.365 42.059 -1.356 0.000 1.354 443 L HN 0.756 nan 8.230 nan 0.000 0.415 444 G N 0.240 108.397 108.800 -1.071 0.000 2.495 444 G HA2 0.637 4.595 3.960 -0.003 0.000 0.294 444 G HA3 0.637 4.595 3.960 -0.003 0.000 0.294 444 G C -2.091 172.564 174.900 -0.408 0.000 1.397 444 G CA -0.938 43.704 45.100 -0.762 0.000 0.790 444 G HN 0.774 nan 8.290 nan 0.000 0.486 445 R N -0.373 120.126 120.500 -0.003 0.000 2.574 445 R HA 0.636 4.975 4.340 -0.003 0.000 0.288 445 R C -1.719 174.603 176.300 0.036 0.000 1.004 445 R CA -0.546 55.585 56.100 0.052 0.000 0.895 445 R CB 2.306 32.673 30.300 0.112 0.000 1.191 445 R HN 0.419 nan 8.270 nan 0.000 0.444 446 V N 4.989 124.771 119.914 -0.221 0.000 2.357 446 V HA 0.234 4.353 4.120 -0.003 0.000 0.284 446 V C 0.080 176.097 176.094 -0.129 0.000 1.018 446 V CA -0.483 61.648 62.300 -0.281 0.000 0.841 446 V CB 1.516 32.956 31.823 -0.638 0.000 0.991 446 V HN 0.901 nan 8.190 nan 0.000 0.437 447 N N 2.911 121.610 118.700 -0.002 0.000 2.439 447 N HA 0.083 4.821 4.740 -0.003 0.000 0.176 447 N C 0.367 175.986 175.510 0.182 0.000 1.029 447 N CA 0.192 53.314 53.050 0.120 0.000 0.886 447 N CB 0.289 38.823 38.487 0.078 0.000 1.057 447 N HN 0.583 nan 8.380 nan 0.000 0.437 448 N N -0.320 118.381 118.700 0.001 0.000 2.599 448 N HA 0.182 4.920 4.740 -0.003 0.000 0.283 448 N C -2.491 172.894 175.510 -0.209 0.000 1.160 448 N CA -1.603 51.392 53.050 -0.092 0.000 0.869 448 N CB 1.669 40.155 38.487 -0.002 0.000 1.448 448 N HN -0.145 nan 8.380 nan 0.000 0.535 449 P HA 0.019 nan 4.420 nan 0.000 0.229 449 P C -0.503 176.699 177.300 -0.163 0.000 1.160 449 P CA 0.977 63.903 63.100 -0.290 0.000 0.777 449 P CB 0.821 32.283 31.700 -0.396 0.000 0.814 450 Q N 0.000 119.718 119.800 -0.136 0.000 2.315 450 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 450 Q CA 0.000 55.760 55.803 -0.071 0.000 1.022 450 Q CB 0.000 28.706 28.738 -0.053 0.000 1.108 450 Q HN 0.000 nan 8.270 nan 0.000 0.481