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 3ipp_1_A DATA FIRST_RESID 24 DATA SEQUENCE AELAKPLTLD QLQQQNGKAI DTRPSAFYNG WPQTLNGPSG HELAALNLSA DATA SEQUENCE SWLDKMSTEQ LNAWIKQHNL KTDAPVALYG NDKDVDAVKT RLQKAGLTHI DATA SEQUENCE SILSDALSEP SRLQKLPHFE QLVYPQWLHD LQQGKEVTAK PAGDWKVIEA DATA SEQUENCE AWGAPKLYLI SHIPGADYID TNEVESEPLW NKVSDEQLKA MLAKHGIRHD DATA SEQUENCE TTVILYGRDV YAAARVAQIM LYAGVKDVRL LDGGWQTWSD AGLPVERGTP DATA SEQUENCE PKVKAEPDFG VKIPAQPQLM LDMEQARGLL HRQDASLVSI RSWPEFIGTT DATA SEQUENCE SGYSYIKPKG EIAGARWGHA GSDSTHMEDF HNPDGTMRSA DDITAMWKAW DATA SEQUENCE NIKPEQQVSF YCGTGWRASE TFMYARAMGW KNVSVYDGGW YEWSSDPKNP DATA SEQUENCE VATGERGPDS SK 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.577 177.584 -0.012 0.000 1.274 24 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 24 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 25 E N 1.661 121.856 120.200 -0.008 0.000 2.392 25 E HA 0.462 4.813 4.350 0.001 0.000 0.259 25 E C -0.468 176.133 176.600 0.002 0.000 1.108 25 E CA -0.455 55.943 56.400 -0.005 0.000 0.916 25 E CB 0.527 30.226 29.700 -0.002 0.000 0.989 25 E HN 0.304 nan 8.360 nan 0.000 0.432 26 L N 1.795 123.020 121.223 0.003 0.000 2.456 26 L HA 0.172 4.513 4.340 0.001 0.000 0.272 26 L C 0.761 177.645 176.870 0.023 0.000 1.189 26 L CA 0.215 55.062 54.840 0.011 0.000 0.846 26 L CB -0.233 41.830 42.059 0.006 0.000 1.111 26 L HN 0.725 nan 8.230 nan 0.000 0.475 27 A N 4.869 127.714 122.820 0.041 0.000 2.281 27 A HA 0.129 4.449 4.320 0.001 0.000 0.271 27 A C 0.585 178.184 177.584 0.025 0.000 1.196 27 A CA -0.323 51.744 52.037 0.049 0.000 0.807 27 A CB 0.036 19.091 19.000 0.092 0.000 1.138 27 A HN 0.716 nan 8.150 nan 0.000 0.506 28 K N 1.096 121.504 120.400 0.013 0.000 2.524 28 K HA 0.088 4.409 4.320 0.001 0.000 0.279 28 K C -2.197 174.405 176.600 0.004 0.000 0.993 28 K CA -0.811 55.477 56.287 0.002 0.000 1.030 28 K CB 0.006 32.500 32.500 -0.009 0.000 0.891 28 K HN 0.447 nan 8.250 nan 0.000 0.488 29 P HA -0.031 nan 4.420 nan 0.000 0.266 29 P C -0.734 176.566 177.300 0.000 0.000 1.195 29 P CA 0.548 63.650 63.100 0.004 0.000 0.768 29 P CB 0.540 32.240 31.700 -0.000 0.000 0.838 30 L N 1.978 123.204 121.223 0.004 0.000 2.381 30 L HA 0.416 4.756 4.340 0.001 0.000 0.268 30 L C 1.151 178.019 176.870 -0.004 0.000 0.997 30 L CA -0.788 54.051 54.840 -0.000 0.000 0.818 30 L CB 2.240 44.302 42.059 0.006 0.000 1.310 30 L HN 0.373 nan 8.230 nan 0.000 0.416 31 T N -1.174 113.374 114.554 -0.011 0.000 2.849 31 T HA 0.176 4.527 4.350 0.001 0.000 0.284 31 T C 0.993 175.684 174.700 -0.016 0.000 1.004 31 T CA -0.621 61.468 62.100 -0.018 0.000 1.021 31 T CB 1.184 70.039 68.868 -0.021 0.000 1.013 31 T HN 0.483 nan 8.240 nan 0.000 0.527 32 L N 1.022 122.229 121.223 -0.027 0.000 2.013 32 L HA -0.083 4.258 4.340 0.001 0.000 0.212 32 L C 2.242 179.106 176.870 -0.011 0.000 1.073 32 L CA 2.589 57.416 54.840 -0.021 0.000 0.753 32 L CB -1.186 40.849 42.059 -0.041 0.000 0.890 32 L HN 0.994 nan 8.230 nan 0.000 0.432 33 D N -1.282 119.108 120.400 -0.016 0.000 2.104 33 D HA -0.253 4.388 4.640 0.001 0.000 0.194 33 D C 2.078 178.373 176.300 -0.008 0.000 0.994 33 D CA 1.775 55.768 54.000 -0.012 0.000 0.830 33 D CB -0.138 40.653 40.800 -0.014 0.000 0.959 33 D HN 0.591 nan 8.370 nan 0.000 0.452 34 Q N -0.780 119.015 119.800 -0.009 0.000 2.119 34 Q HA -0.081 4.260 4.340 0.001 0.000 0.201 34 Q C 2.241 178.238 176.000 -0.004 0.000 0.972 34 Q CA 0.852 56.650 55.803 -0.009 0.000 0.847 34 Q CB -0.134 28.597 28.738 -0.011 0.000 0.903 34 Q HN 0.323 nan 8.270 nan 0.000 0.433 35 L N 0.865 122.089 121.223 0.001 0.000 2.046 35 L HA -0.222 4.119 4.340 0.001 0.000 0.208 35 L C 2.091 178.969 176.870 0.012 0.000 1.077 35 L CA 1.793 56.640 54.840 0.011 0.000 0.747 35 L CB -0.240 41.831 42.059 0.021 0.000 0.896 35 L HN 0.150 nan 8.230 nan 0.000 0.432 36 Q N -0.892 118.914 119.800 0.010 0.000 2.020 36 Q HA -0.274 4.067 4.340 0.001 0.000 0.202 36 Q C 2.278 178.281 176.000 0.006 0.000 0.982 36 Q CA 2.175 57.983 55.803 0.010 0.000 0.838 36 Q CB -0.264 28.478 28.738 0.007 0.000 0.899 36 Q HN 0.615 nan 8.270 nan 0.000 0.423 37 Q N 0.258 120.059 119.800 0.001 0.000 2.197 37 Q HA -0.204 4.137 4.340 0.001 0.000 0.207 37 Q C 1.402 177.400 176.000 -0.003 0.000 0.984 37 Q CA 1.234 57.036 55.803 -0.002 0.000 0.869 37 Q CB 0.062 28.797 28.738 -0.006 0.000 0.906 37 Q HN 0.410 nan 8.270 nan 0.000 0.426 38 Q N -0.071 119.727 119.800 -0.002 0.000 2.280 38 Q HA 0.040 4.380 4.340 0.001 0.000 0.201 38 Q C -0.317 175.685 176.000 0.004 0.000 0.890 38 Q CA -0.279 55.521 55.803 -0.004 0.000 0.947 38 Q CB 0.358 29.088 28.738 -0.012 0.000 1.081 38 Q HN 0.279 nan 8.270 nan 0.000 0.502 39 N N 0.522 119.227 118.700 0.009 0.000 2.725 39 N HA -0.160 4.581 4.740 0.001 0.000 0.251 39 N C -0.529 174.994 175.510 0.021 0.000 1.031 39 N CA 0.857 53.916 53.050 0.014 0.000 0.720 39 N CB -0.859 37.635 38.487 0.012 0.000 0.930 39 N HN 0.448 nan 8.380 nan 0.000 0.543 40 G N -0.272 108.543 108.800 0.025 0.000 2.531 40 G HA2 0.617 4.577 3.960 0.001 0.000 0.313 40 G HA3 0.617 4.577 3.960 0.001 0.000 0.313 40 G C -0.562 174.364 174.900 0.043 0.000 1.238 40 G CA -0.567 44.555 45.100 0.036 0.000 0.994 40 G HN 0.182 nan 8.290 nan 0.000 0.493 41 K N -0.405 120.028 120.400 0.054 0.000 2.316 41 K HA 0.610 4.930 4.320 0.001 0.000 0.251 41 K C -0.525 176.127 176.600 0.086 0.000 0.934 41 K CA -0.641 55.685 56.287 0.065 0.000 0.802 41 K CB 2.434 34.967 32.500 0.055 0.000 1.171 41 K HN 0.569 nan 8.250 nan 0.000 0.426 42 A N 3.359 126.249 122.820 0.116 0.000 2.309 42 A HA 0.604 4.924 4.320 0.001 0.000 0.298 42 A C -0.188 177.492 177.584 0.160 0.000 1.165 42 A CA -0.574 51.567 52.037 0.173 0.000 0.821 42 A CB 0.092 19.234 19.000 0.237 0.000 1.102 42 A HN 0.677 nan 8.150 nan 0.000 0.500 43 I N 2.422 123.057 120.570 0.109 0.000 2.411 43 I HA 0.177 4.348 4.170 0.001 0.000 0.284 43 I C -0.716 175.216 176.117 -0.309 0.000 1.012 43 I CA -0.593 60.689 61.300 -0.030 0.000 1.119 43 I CB 1.677 39.661 38.000 -0.025 0.000 1.261 43 I HN 0.599 nan 8.210 nan 0.000 0.448 44 D N 4.928 125.067 120.400 -0.434 0.000 2.325 44 D HA 0.067 4.708 4.640 0.001 0.000 0.251 44 D C 1.030 176.975 176.300 -0.592 0.000 1.196 44 D CA 0.048 53.527 54.000 -0.867 0.000 0.866 44 D CB 1.372 42.005 40.800 -0.279 0.000 1.101 44 D HN 0.648 nan 8.370 nan 0.000 0.476 45 T N 0.885 115.084 114.554 -0.591 0.000 3.105 45 T HA 0.216 4.567 4.350 0.001 0.000 0.253 45 T C 0.898 175.345 174.700 -0.422 0.000 1.047 45 T CA -0.373 61.438 62.100 -0.482 0.000 0.944 45 T CB 0.248 68.889 68.868 -0.378 0.000 1.016 45 T HN 0.197 nan 8.240 nan 0.000 0.544 46 R N 1.677 121.978 120.500 -0.331 0.000 2.649 46 R HA 0.431 4.772 4.340 0.001 0.000 0.270 46 R C -2.653 173.547 176.300 -0.167 0.000 1.105 46 R CA -2.029 53.966 56.100 -0.174 0.000 1.193 46 R CB -0.253 30.036 30.300 -0.017 0.000 1.120 46 R HN 0.159 nan 8.270 nan 0.000 0.561 47 P HA -0.069 nan 4.420 nan 0.000 0.269 47 P C 0.375 177.701 177.300 0.044 0.000 1.215 47 P CA 0.214 63.306 63.100 -0.013 0.000 0.780 47 P CB 0.722 32.462 31.700 0.067 0.000 0.898 48 S N 2.053 117.817 115.700 0.108 0.000 2.400 48 S HA -0.250 4.221 4.470 0.001 0.000 0.232 48 S C 1.922 176.597 174.600 0.126 0.000 1.025 48 S CA 1.271 59.590 58.200 0.198 0.000 0.993 48 S CB -1.470 61.904 63.200 0.291 0.000 0.808 48 S HN 0.473 nan 8.310 nan 0.000 0.478 49 A N 1.337 124.084 122.820 -0.123 0.000 1.927 49 A HA -0.018 4.302 4.320 0.001 0.000 0.220 49 A C 1.894 179.336 177.584 -0.237 0.000 1.185 49 A CA 1.828 53.694 52.037 -0.286 0.000 0.639 49 A CB -1.062 17.293 19.000 -1.075 0.000 0.820 49 A HN 0.609 nan 8.150 nan 0.000 0.451 50 F N -2.549 117.404 119.950 0.005 0.000 2.270 50 F HA 0.029 4.556 4.527 0.001 0.000 0.295 50 F C 2.148 177.989 175.800 0.070 0.000 1.087 50 F CA 0.683 58.691 58.000 0.014 0.000 1.365 50 F CB -1.133 37.846 39.000 -0.034 0.000 1.056 50 F HN 0.355 nan 8.300 nan 0.000 0.506 51 Y N 1.840 122.240 120.300 0.168 0.000 2.193 51 Y HA -0.299 4.252 4.550 0.001 0.000 0.285 51 Y C 2.064 178.113 175.900 0.249 0.000 1.166 51 Y CA 1.810 60.018 58.100 0.180 0.000 1.181 51 Y CB -0.660 37.833 38.460 0.055 0.000 0.976 51 Y HN -0.030 nan 8.280 nan 0.000 0.520 52 N N -0.486 118.306 118.700 0.152 0.000 2.331 52 N HA 0.013 4.754 4.740 0.001 0.000 0.180 52 N C 1.608 176.996 175.510 -0.203 0.000 1.019 52 N CA 1.591 54.672 53.050 0.051 0.000 0.881 52 N CB -0.016 38.571 38.487 0.168 0.000 0.972 52 N HN 0.602 nan 8.380 nan 0.000 0.435 53 G N -1.499 107.036 108.800 -0.441 0.000 2.977 53 G HA2 -0.143 3.818 3.960 0.001 0.000 0.211 53 G HA3 -0.143 3.818 3.960 0.001 0.000 0.211 53 G C -0.747 173.313 174.900 -1.401 0.000 0.994 53 G CA -0.702 43.734 45.100 -1.106 0.000 0.795 53 G HN 0.160 nan 8.290 nan 0.000 0.518 54 W N 2.806 123.639 121.300 -0.779 0.000 2.308 54 W HA 0.498 5.159 4.660 0.001 0.000 0.324 54 W C -1.909 174.627 176.519 0.027 0.000 1.387 54 W CA -1.497 55.679 57.345 -0.282 0.000 1.250 54 W CB 0.295 29.723 29.460 -0.054 0.000 1.257 54 W HN 0.005 nan 8.180 nan 0.000 0.554 55 P HA -0.051 nan 4.420 nan 0.000 0.269 55 P C 0.136 177.669 177.300 0.389 0.000 1.215 55 P CA 0.296 63.561 63.100 0.276 0.000 0.780 55 P CB 0.736 32.576 31.700 0.234 0.000 0.898 56 Q N -0.211 119.692 119.800 0.171 0.000 2.302 56 Q HA 0.047 4.387 4.340 0.001 0.000 0.202 56 Q C 0.655 176.696 176.000 0.067 0.000 0.936 56 Q CA 0.855 56.654 55.803 -0.006 0.000 0.886 56 Q CB -0.053 28.521 28.738 -0.274 0.000 0.986 56 Q HN 0.596 nan 8.270 nan 0.000 0.487 57 T N -2.330 112.279 114.554 0.092 0.000 2.901 57 T HA 0.439 4.789 4.350 0.001 0.000 0.293 57 T C -0.460 174.321 174.700 0.135 0.000 1.084 57 T CA -1.061 61.098 62.100 0.098 0.000 1.008 57 T CB 1.446 70.343 68.868 0.048 0.000 1.170 57 T HN -0.041 nan 8.240 nan 0.000 0.509 58 L N 2.726 124.028 121.223 0.131 0.000 2.615 58 L HA 0.159 4.500 4.340 0.001 0.000 0.284 58 L C 1.003 177.939 176.870 0.109 0.000 1.237 58 L CA 1.407 56.329 54.840 0.137 0.000 0.905 58 L CB -1.301 40.821 42.059 0.105 0.000 1.149 58 L HN 1.046 nan 8.230 nan 0.000 0.499 59 N N 0.459 119.231 118.700 0.120 0.000 2.900 59 N HA -0.191 4.549 4.740 0.001 0.000 0.240 59 N C 0.653 176.203 175.510 0.066 0.000 0.953 59 N CA 0.633 53.735 53.050 0.086 0.000 0.950 59 N CB -1.380 37.145 38.487 0.064 0.000 1.102 59 N HN 0.849 nan 8.380 nan 0.000 0.593 60 G N 1.120 109.965 108.800 0.075 0.000 2.616 60 G HA2 0.427 4.387 3.960 0.001 0.000 0.268 60 G HA3 0.427 4.387 3.960 0.001 0.000 0.268 60 G C -2.078 172.840 174.900 0.031 0.000 1.213 60 G CA -0.678 44.450 45.100 0.046 0.000 0.926 60 G HN -0.027 nan 8.290 nan 0.000 0.523 61 P HA 0.036 nan 4.420 nan 0.000 0.263 61 P C -0.361 176.919 177.300 -0.034 0.000 1.175 61 P CA 0.348 63.435 63.100 -0.022 0.000 0.761 61 P CB 1.010 32.691 31.700 -0.030 0.000 0.794 62 S N 2.167 117.819 115.700 -0.081 0.000 2.594 62 S HA 0.630 5.100 4.470 0.001 0.000 0.322 62 S C 0.096 174.558 174.600 -0.231 0.000 1.085 62 S CA 0.450 58.548 58.200 -0.171 0.000 1.116 62 S CB -0.561 62.530 63.200 -0.182 0.000 0.979 62 S HN 0.978 nan 8.310 nan 0.000 0.465 63 G N 3.931 112.595 108.800 -0.227 0.000 2.409 63 G HA2 0.040 4.001 3.960 0.001 0.000 0.421 63 G HA3 0.040 4.001 3.960 0.001 0.000 0.421 63 G C -0.874 173.914 174.900 -0.187 0.000 1.259 63 G CA -0.342 44.585 45.100 -0.287 0.000 1.011 63 G HN 1.171 nan 8.290 nan 0.000 0.497 64 H N -0.068 118.889 119.070 -0.188 0.000 2.754 64 H HA 0.755 5.311 4.556 0.001 0.000 0.352 64 H C -0.350 174.953 175.328 -0.042 0.000 1.213 64 H CA -0.604 55.420 56.048 -0.040 0.000 1.244 64 H CB 1.181 30.888 29.762 -0.092 0.000 1.843 64 H HN 0.537 nan 8.280 nan 0.000 0.587 65 E N 0.842 121.139 120.200 0.161 0.000 2.404 65 E HA 0.015 4.365 4.350 0.001 0.000 0.261 65 E C 0.073 176.762 176.600 0.149 0.000 1.074 65 E CA -0.713 55.709 56.400 0.037 0.000 0.917 65 E CB 1.342 31.001 29.700 -0.069 0.000 0.965 65 E HN 0.357 nan 8.360 nan 0.000 0.433 66 L N 1.957 123.215 121.223 0.058 0.000 2.628 66 L HA -0.052 4.289 4.340 0.001 0.000 0.274 66 L C 0.888 177.841 176.870 0.137 0.000 1.209 66 L CA 1.486 56.371 54.840 0.076 0.000 0.930 66 L CB -0.505 41.572 42.059 0.029 0.000 1.183 66 L HN 0.733 nan 8.230 nan 0.000 0.492 67 A N 3.091 126.020 122.820 0.180 0.000 2.945 67 A HA -0.187 4.134 4.320 0.001 0.000 0.263 67 A C 1.007 178.699 177.584 0.180 0.000 1.293 67 A CA 0.979 53.114 52.037 0.163 0.000 0.944 67 A CB -2.494 16.566 19.000 0.100 0.000 1.093 67 A HN 2.024 nan 8.150 nan 0.000 0.786 68 A N -0.516 122.460 122.820 0.259 0.000 2.561 68 A HA 0.447 4.767 4.320 0.001 0.000 0.234 68 A C 0.639 178.341 177.584 0.197 0.000 1.055 68 A CA 0.817 53.019 52.037 0.276 0.000 0.756 68 A CB -0.052 19.227 19.000 0.465 0.000 0.986 68 A HN 1.123 nan 8.150 nan 0.000 0.505 69 L N 1.625 122.904 121.223 0.093 0.000 2.431 69 L HA 0.385 4.726 4.340 0.001 0.000 0.260 69 L C 0.873 177.615 176.870 -0.215 0.000 1.098 69 L CA -0.505 54.305 54.840 -0.050 0.000 0.800 69 L CB 0.627 42.644 42.059 -0.070 0.000 1.210 69 L HN 0.867 nan 8.230 nan 0.000 0.465 70 N N 1.169 119.623 118.700 -0.410 0.000 2.442 70 N HA 0.423 5.164 4.740 0.001 0.000 0.274 70 N C -1.776 173.512 175.510 -0.370 0.000 1.002 70 N CA -0.527 52.129 53.050 -0.657 0.000 0.910 70 N CB 1.608 39.294 38.487 -1.335 0.000 1.244 70 N HN 0.354 nan 8.380 nan 0.000 0.492 71 L N 3.613 124.475 121.223 -0.603 0.000 2.454 71 L HA 0.330 4.670 4.340 0.001 0.000 0.258 71 L C -0.478 175.767 176.870 -1.042 0.000 1.025 71 L CA -0.243 54.074 54.840 -0.871 0.000 0.901 71 L CB 1.109 42.648 42.059 -0.867 0.000 1.210 71 L HN 0.386 nan 8.230 nan 0.000 0.457 72 S N 2.414 117.054 115.700 -1.766 0.000 2.533 72 S HA 0.381 4.852 4.470 0.001 0.000 0.282 72 S C 1.658 175.703 174.600 -0.925 0.000 1.304 72 S CA 0.336 57.706 58.200 -1.384 0.000 1.063 72 S CB 1.080 63.181 63.200 -1.833 0.000 0.881 72 S HN 0.830 nan 8.310 nan 0.000 0.493 73 A N 4.289 126.777 122.820 -0.553 0.000 1.986 73 A HA -0.105 4.215 4.320 0.001 0.000 0.220 73 A C 2.354 179.780 177.584 -0.263 0.000 1.171 73 A CA 2.151 53.979 52.037 -0.348 0.000 0.640 73 A CB -1.166 17.680 19.000 -0.256 0.000 0.811 73 A HN 1.190 nan 8.150 nan 0.000 0.451 74 S N -1.542 113.989 115.700 -0.281 0.000 2.474 74 S HA -0.149 4.322 4.470 0.001 0.000 0.235 74 S C 1.503 176.127 174.600 0.040 0.000 0.997 74 S CA 0.960 59.090 58.200 -0.115 0.000 0.949 74 S CB -0.623 62.534 63.200 -0.073 0.000 0.766 74 S HN 0.709 nan 8.310 nan 0.000 0.517 75 W N 1.629 122.839 121.300 -0.149 0.000 2.584 75 W HA 0.369 5.029 4.660 0.001 0.000 0.264 75 W C 1.845 178.273 176.519 -0.153 0.000 1.264 75 W CA -0.849 56.403 57.345 -0.155 0.000 1.306 75 W CB -1.258 28.082 29.460 -0.200 0.000 1.110 75 W HN 0.334 nan 8.180 nan 0.000 0.606 76 L N 1.093 122.328 121.223 0.019 0.000 2.079 76 L HA -0.250 4.091 4.340 0.001 0.000 0.210 76 L C 2.260 179.114 176.870 -0.025 0.000 1.081 76 L CA 1.980 56.795 54.840 -0.042 0.000 0.752 76 L CB -1.021 40.979 42.059 -0.098 0.000 0.896 76 L HN -0.017 nan 8.230 nan 0.000 0.433 77 D N -0.104 120.287 120.400 -0.016 0.000 2.350 77 D HA -0.190 4.451 4.640 0.001 0.000 0.216 77 D C 1.308 177.604 176.300 -0.007 0.000 0.968 77 D CA 1.032 55.023 54.000 -0.015 0.000 0.894 77 D CB -0.172 40.618 40.800 -0.016 0.000 0.909 77 D HN 0.263 nan 8.370 nan 0.000 0.520 78 K N -0.715 119.687 120.400 0.004 0.000 2.514 78 K HA 0.306 4.626 4.320 0.001 0.000 0.207 78 K C -0.075 176.516 176.600 -0.015 0.000 1.035 78 K CA -0.225 56.059 56.287 -0.006 0.000 1.113 78 K CB 0.540 33.035 32.500 -0.008 0.000 0.846 78 K HN 0.107 nan 8.250 nan 0.000 0.491 79 M N 1.553 121.143 119.600 -0.016 0.000 2.078 79 M HA 0.166 4.647 4.480 0.001 0.000 0.320 79 M C 0.007 176.294 176.300 -0.021 0.000 0.969 79 M CA -0.645 54.640 55.300 -0.024 0.000 0.929 79 M CB 1.801 34.376 32.600 -0.042 0.000 1.504 79 M HN 0.000 nan 8.290 nan 0.000 0.419 80 S N 1.503 117.194 115.700 -0.013 0.000 2.596 80 S HA 0.193 4.664 4.470 0.001 0.000 0.260 80 S C 1.094 175.690 174.600 -0.007 0.000 1.336 80 S CA -0.156 58.038 58.200 -0.010 0.000 0.993 80 S CB 0.660 63.856 63.200 -0.006 0.000 0.923 80 S HN 0.714 nan 8.310 nan 0.000 0.567 81 T N 1.342 115.892 114.554 -0.006 0.000 2.653 81 T HA -0.186 4.164 4.350 0.001 0.000 0.268 81 T C 1.572 176.279 174.700 0.011 0.000 1.035 81 T CA 2.231 64.331 62.100 -0.001 0.000 1.154 81 T CB -0.627 68.239 68.868 -0.002 0.000 0.862 81 T HN 0.764 nan 8.240 nan 0.000 0.441 82 E N 0.505 120.711 120.200 0.011 0.000 2.216 82 E HA -0.060 4.290 4.350 0.001 0.000 0.192 82 E C 2.495 179.114 176.600 0.032 0.000 0.988 82 E CA 0.499 56.911 56.400 0.019 0.000 0.834 82 E CB -0.058 29.648 29.700 0.010 0.000 0.772 82 E HN 0.579 nan 8.360 nan 0.000 0.479 83 Q N 0.344 120.161 119.800 0.028 0.000 2.079 83 Q HA -0.147 4.194 4.340 0.001 0.000 0.200 83 Q C 2.223 178.280 176.000 0.095 0.000 0.974 83 Q CA 0.783 56.614 55.803 0.046 0.000 0.840 83 Q CB -0.037 28.713 28.738 0.020 0.000 0.898 83 Q HN 0.168 nan 8.270 nan 0.000 0.430 84 L N 1.395 122.656 121.223 0.063 0.000 2.017 84 L HA -0.188 4.153 4.340 0.001 0.000 0.208 84 L C 1.616 178.587 176.870 0.169 0.000 1.073 84 L CA 1.741 56.633 54.840 0.087 0.000 0.745 84 L CB -0.630 41.433 42.059 0.006 0.000 0.894 84 L HN 0.150 nan 8.230 nan 0.000 0.432 85 N N 0.239 119.002 118.700 0.104 0.000 2.094 85 N HA -0.186 4.555 4.740 0.001 0.000 0.191 85 N C 1.830 177.407 175.510 0.112 0.000 1.023 85 N CA 1.720 54.827 53.050 0.095 0.000 0.857 85 N CB -0.597 37.920 38.487 0.050 0.000 1.013 85 N HN 0.536 nan 8.380 nan 0.000 0.426 86 A N -0.231 122.654 122.820 0.108 0.000 1.902 86 A HA -0.150 4.171 4.320 0.001 0.000 0.217 86 A C 2.211 179.870 177.584 0.125 0.000 1.181 86 A CA 1.296 53.381 52.037 0.080 0.000 0.623 86 A CB -1.135 17.896 19.000 0.053 0.000 0.818 86 A HN 0.563 nan 8.150 nan 0.000 0.443 87 W N 0.408 121.726 121.300 0.030 0.000 2.381 87 W HA -0.106 4.555 4.660 0.001 0.000 0.301 87 W C 1.704 178.338 176.519 0.192 0.000 1.205 87 W CA 1.661 59.077 57.345 0.119 0.000 1.285 87 W CB -0.130 29.387 29.460 0.094 0.000 1.133 87 W HN 0.292 nan 8.180 nan 0.000 0.521 88 I N 1.042 121.866 120.570 0.423 0.000 2.127 88 I HA -0.380 3.791 4.170 0.001 0.000 0.241 88 I C 2.554 178.678 176.117 0.011 0.000 1.075 88 I CA 1.443 62.877 61.300 0.224 0.000 1.334 88 I CB -0.642 37.490 38.000 0.220 0.000 1.040 88 I HN -0.171 nan 8.210 nan 0.000 0.405 89 K N 0.453 120.857 120.400 0.006 0.000 2.063 89 K HA -0.269 4.052 4.320 0.001 0.000 0.208 89 K C 2.007 178.520 176.600 -0.146 0.000 1.048 89 K CA 1.557 57.811 56.287 -0.055 0.000 0.928 89 K CB -0.611 31.865 32.500 -0.040 0.000 0.713 89 K HN 0.482 nan 8.250 nan 0.000 0.442 90 Q N 0.166 119.830 119.800 -0.226 0.000 2.291 90 Q HA -0.141 4.200 4.340 0.001 0.000 0.205 90 Q C 0.974 176.575 176.000 -0.664 0.000 0.970 90 Q CA 1.146 56.700 55.803 -0.414 0.000 0.876 90 Q CB 0.145 28.601 28.738 -0.469 0.000 0.935 90 Q HN 0.474 nan 8.270 nan 0.000 0.455 91 H N -0.184 118.618 119.070 -0.446 0.000 2.551 91 H HA 0.186 4.742 4.556 0.001 0.000 0.271 91 H C -0.195 174.981 175.328 -0.253 0.000 0.984 91 H CA 0.391 56.175 56.048 -0.440 0.000 1.164 91 H CB 0.259 29.561 29.762 -0.767 0.000 1.437 91 H HN 0.412 nan 8.280 nan 0.000 0.550 92 N N 0.684 119.304 118.700 -0.133 0.000 2.754 92 N HA -0.162 4.579 4.740 0.001 0.000 0.248 92 N C -0.869 174.619 175.510 -0.037 0.000 1.093 92 N CA -0.081 52.923 53.050 -0.077 0.000 0.699 92 N CB -1.428 37.016 38.487 -0.072 0.000 1.016 92 N HN 0.238 nan 8.380 nan 0.000 0.552 93 L N 0.854 122.063 121.223 -0.024 0.000 2.385 93 L HA 0.169 4.509 4.340 0.001 0.000 0.281 93 L C 0.726 177.605 176.870 0.014 0.000 1.106 93 L CA 0.162 55.008 54.840 0.010 0.000 0.856 93 L CB 0.398 42.482 42.059 0.043 0.000 1.186 93 L HN 0.070 nan 8.230 nan 0.000 0.453 94 K N 0.870 121.280 120.400 0.017 0.000 2.237 94 K HA 0.090 4.410 4.320 0.001 0.000 0.270 94 K C 1.385 178.001 176.600 0.025 0.000 1.015 94 K CA 0.013 56.311 56.287 0.017 0.000 0.949 94 K CB 1.252 33.763 32.500 0.018 0.000 0.976 94 K HN 0.629 nan 8.250 nan 0.000 0.472 95 T N -0.892 113.671 114.554 0.015 0.000 2.833 95 T HA -0.150 4.201 4.350 0.001 0.000 0.269 95 T C 0.755 175.449 174.700 -0.009 0.000 1.054 95 T CA 1.494 63.596 62.100 0.002 0.000 1.135 95 T CB -0.008 68.854 68.868 -0.010 0.000 0.869 95 T HN 0.503 nan 8.240 nan 0.000 0.466 96 D N 1.266 121.681 120.400 0.025 0.000 2.379 96 D HA 0.351 4.992 4.640 0.001 0.000 0.208 96 D C 0.864 177.310 176.300 0.243 0.000 1.065 96 D CA 0.226 54.282 54.000 0.093 0.000 0.848 96 D CB 0.215 41.090 40.800 0.124 0.000 0.949 96 D HN 0.627 nan 8.370 nan 0.000 0.509 97 A N 2.474 125.369 122.820 0.125 0.000 2.462 97 A HA 0.315 4.636 4.320 0.001 0.000 0.243 97 A C -2.284 175.370 177.584 0.117 0.000 1.076 97 A CA -0.829 51.269 52.037 0.102 0.000 0.773 97 A CB -0.040 18.995 19.000 0.059 0.000 1.010 97 A HN -0.127 nan 8.150 nan 0.000 0.493 98 P HA 0.231 nan 4.420 nan 0.000 0.265 98 P C -0.833 176.514 177.300 0.078 0.000 1.193 98 P CA 0.141 63.295 63.100 0.089 0.000 0.765 98 P CB 0.596 32.319 31.700 0.039 0.000 0.823 99 V N 2.714 122.678 119.914 0.083 0.000 2.448 99 V HA 0.670 4.791 4.120 0.001 0.000 0.295 99 V C 0.179 176.313 176.094 0.067 0.000 1.025 99 V CA -0.822 61.521 62.300 0.072 0.000 0.859 99 V CB 1.457 33.320 31.823 0.068 0.000 0.988 99 V HN 0.612 nan 8.190 nan 0.000 0.431 100 A N 6.189 129.054 122.820 0.075 0.000 2.304 100 A HA 0.855 5.176 4.320 0.001 0.000 0.314 100 A C -0.708 176.943 177.584 0.111 0.000 1.187 100 A CA -0.495 51.591 52.037 0.082 0.000 0.810 100 A CB 0.621 19.669 19.000 0.081 0.000 1.183 100 A HN 0.812 nan 8.150 nan 0.000 0.487 101 L N 2.569 123.840 121.223 0.080 0.000 2.360 101 L HA 0.724 5.064 4.340 0.001 0.000 0.271 101 L C -0.236 176.719 176.870 0.141 0.000 1.057 101 L CA -0.816 54.051 54.840 0.045 0.000 0.803 101 L CB 1.130 43.170 42.059 -0.031 0.000 1.207 101 L HN 0.862 nan 8.230 nan 0.000 0.445 102 Y N -0.287 119.993 120.300 -0.033 0.000 2.655 102 Y HA 0.925 5.476 4.550 0.001 0.000 0.336 102 Y C -0.044 175.822 175.900 -0.056 0.000 1.154 102 Y CA -0.471 57.608 58.100 -0.036 0.000 1.055 102 Y CB 1.725 40.175 38.460 -0.017 0.000 1.295 102 Y HN 0.800 nan 8.280 nan 0.000 0.465 103 G N 0.862 109.707 108.800 0.075 0.000 2.298 103 G HA2 -0.074 3.887 3.960 0.001 0.000 0.309 103 G HA3 -0.074 3.887 3.960 0.001 0.000 0.309 103 G C -1.719 173.147 174.900 -0.056 0.000 1.279 103 G CA -1.056 44.015 45.100 -0.048 0.000 1.042 103 G HN 0.829 nan 8.290 nan 0.000 0.480 104 N N 0.744 119.383 118.700 -0.103 0.000 2.407 104 N HA 0.068 4.808 4.740 0.001 0.000 0.250 104 N C 0.947 176.406 175.510 -0.085 0.000 1.236 104 N CA 0.300 53.292 53.050 -0.096 0.000 0.879 104 N CB 0.797 39.214 38.487 -0.116 0.000 1.088 104 N HN 0.486 nan 8.380 nan 0.000 0.450 105 D N 2.294 122.654 120.400 -0.066 0.000 2.126 105 D HA -0.191 4.450 4.640 0.001 0.000 0.190 105 D C 1.551 177.810 176.300 -0.068 0.000 1.001 105 D CA 1.659 55.624 54.000 -0.059 0.000 0.841 105 D CB 0.111 40.882 40.800 -0.048 0.000 0.949 105 D HN 0.465 nan 8.370 nan 0.000 0.446 106 K N 0.447 120.803 120.400 -0.073 0.000 2.057 106 K HA -0.123 4.197 4.320 0.001 0.000 0.207 106 K C 1.468 178.010 176.600 -0.096 0.000 1.049 106 K CA 1.264 57.505 56.287 -0.077 0.000 0.931 106 K CB -0.105 32.350 32.500 -0.074 0.000 0.714 106 K HN 0.002 nan 8.250 nan 0.000 0.440 107 D N -0.621 119.710 120.400 -0.116 0.000 2.097 107 D HA -0.123 4.517 4.640 0.001 0.000 0.197 107 D C 1.861 178.067 176.300 -0.156 0.000 0.984 107 D CA 1.001 54.910 54.000 -0.153 0.000 0.826 107 D CB -0.295 40.397 40.800 -0.181 0.000 0.973 107 D HN -0.045 nan 8.370 nan 0.000 0.460 108 V N 0.778 120.614 119.914 -0.130 0.000 2.332 108 V HA -0.257 3.864 4.120 0.001 0.000 0.248 108 V C 1.983 178.019 176.094 -0.097 0.000 1.055 108 V CA 2.001 64.233 62.300 -0.115 0.000 1.038 108 V CB -0.402 31.375 31.823 -0.076 0.000 0.651 108 V HN 0.130 nan 8.190 nan 0.000 0.450 109 D N -0.490 119.859 120.400 -0.084 0.000 2.149 109 D HA -0.063 4.578 4.640 0.001 0.000 0.201 109 D C 2.137 178.389 176.300 -0.080 0.000 0.972 109 D CA 1.113 55.071 54.000 -0.071 0.000 0.835 109 D CB -0.128 40.638 40.800 -0.058 0.000 0.966 109 D HN 0.376 nan 8.370 nan 0.000 0.476 110 A N -0.187 122.575 122.820 -0.096 0.000 1.933 110 A HA -0.126 4.194 4.320 0.001 0.000 0.218 110 A C 2.337 179.850 177.584 -0.118 0.000 1.175 110 A CA 1.329 53.305 52.037 -0.102 0.000 0.628 110 A CB -0.686 18.246 19.000 -0.114 0.000 0.814 110 A HN 0.229 nan 8.150 nan 0.000 0.444 111 V N 0.254 120.082 119.914 -0.143 0.000 2.453 111 V HA -0.207 3.914 4.120 0.001 0.000 0.247 111 V C 2.501 178.525 176.094 -0.116 0.000 1.048 111 V CA 2.094 64.295 62.300 -0.164 0.000 1.049 111 V CB -0.576 31.117 31.823 -0.216 0.000 0.672 111 V HN 0.696 nan 8.190 nan 0.000 0.457 112 K N 0.235 120.581 120.400 -0.090 0.000 2.032 112 K HA -0.234 4.087 4.320 0.001 0.000 0.209 112 K C 2.128 178.696 176.600 -0.054 0.000 1.048 112 K CA 2.276 58.528 56.287 -0.060 0.000 0.927 112 K CB -0.408 32.064 32.500 -0.047 0.000 0.712 112 K HN 0.499 nan 8.250 nan 0.000 0.441 113 T N 1.342 115.861 114.554 -0.058 0.000 2.652 113 T HA -0.104 4.247 4.350 0.001 0.000 0.267 113 T C 1.957 176.626 174.700 -0.052 0.000 1.039 113 T CA 1.061 63.130 62.100 -0.050 0.000 1.153 113 T CB -0.155 68.682 68.868 -0.052 0.000 0.863 113 T HN 0.217 nan 8.240 nan 0.000 0.428 114 R N 0.908 121.368 120.500 -0.067 0.000 2.081 114 R HA 0.095 4.435 4.340 0.001 0.000 0.235 114 R C 2.506 178.775 176.300 -0.052 0.000 1.131 114 R CA 1.003 57.063 56.100 -0.066 0.000 0.960 114 R CB -1.149 29.095 30.300 -0.094 0.000 0.856 114 R HN 0.429 nan 8.270 nan 0.000 0.436 115 L N 0.687 121.878 121.223 -0.054 0.000 2.141 115 L HA -0.173 4.168 4.340 0.001 0.000 0.209 115 L C 2.577 179.435 176.870 -0.019 0.000 1.094 115 L CA 1.221 56.045 54.840 -0.026 0.000 0.763 115 L CB -0.407 41.642 42.059 -0.018 0.000 0.908 115 L HN 0.215 nan 8.230 nan 0.000 0.437 116 Q N 0.141 119.924 119.800 -0.028 0.000 2.050 116 Q HA -0.211 4.129 4.340 0.001 0.000 0.202 116 Q C 2.246 178.230 176.000 -0.026 0.000 0.980 116 Q CA 1.466 57.252 55.803 -0.028 0.000 0.840 116 Q CB -0.041 28.680 28.738 -0.029 0.000 0.898 116 Q HN 0.436 nan 8.270 nan 0.000 0.424 117 K N 0.194 120.578 120.400 -0.026 0.000 2.152 117 K HA -0.111 4.210 4.320 0.001 0.000 0.206 117 K C 1.913 178.504 176.600 -0.016 0.000 1.048 117 K CA 1.152 57.426 56.287 -0.022 0.000 0.933 117 K CB -0.127 32.358 32.500 -0.024 0.000 0.721 117 K HN 0.128 nan 8.250 nan 0.000 0.447 118 A N 0.388 123.201 122.820 -0.011 0.000 2.168 118 A HA 0.102 4.423 4.320 0.001 0.000 0.215 118 A C 1.481 179.065 177.584 0.001 0.000 1.152 118 A CA 1.190 53.228 52.037 0.002 0.000 0.716 118 A CB -0.237 18.773 19.000 0.017 0.000 0.794 118 A HN 0.457 nan 8.150 nan 0.000 0.465 119 G N -1.689 107.105 108.800 -0.011 0.000 2.163 119 G HA2 -0.154 3.807 3.960 0.001 0.000 0.213 119 G HA3 -0.154 3.807 3.960 0.001 0.000 0.213 119 G C 0.041 174.923 174.900 -0.029 0.000 0.991 119 G CA -0.049 45.039 45.100 -0.020 0.000 0.653 119 G HN 0.352 nan 8.290 nan 0.000 0.518 120 L N 1.457 122.668 121.223 -0.019 0.000 2.453 120 L HA 0.369 4.710 4.340 0.001 0.000 0.272 120 L C 1.937 178.763 176.870 -0.074 0.000 1.182 120 L CA 0.975 55.799 54.840 -0.028 0.000 0.858 120 L CB 0.929 42.992 42.059 0.007 0.000 1.120 120 L HN 0.411 nan 8.230 nan 0.000 0.474 121 T N -2.726 111.739 114.554 -0.149 0.000 2.985 121 T HA 0.088 4.439 4.350 0.001 0.000 0.254 121 T C 0.612 175.058 174.700 -0.423 0.000 1.021 121 T CA 0.045 61.959 62.100 -0.310 0.000 0.957 121 T CB 0.100 68.692 68.868 -0.462 0.000 1.047 121 T HN 0.502 nan 8.240 nan 0.000 0.511 122 H N 1.079 120.154 119.070 0.009 0.000 2.541 122 H HA 0.487 5.043 4.556 0.001 0.000 0.246 122 H C -0.981 174.353 175.328 0.010 0.000 1.341 122 H CA -1.038 55.015 56.048 0.008 0.000 1.469 122 H CB 0.083 29.850 29.762 0.009 0.000 1.472 122 H HN 0.378 nan 8.280 nan 0.000 0.503 123 I N 1.802 122.430 120.570 0.096 0.000 2.330 123 I HA 0.258 4.428 4.170 0.001 0.000 0.289 123 I C 0.290 176.436 176.117 0.049 0.000 1.001 123 I CA -0.101 61.233 61.300 0.057 0.000 1.193 123 I CB 1.183 39.197 38.000 0.022 0.000 1.345 123 I HN 0.183 nan 8.210 nan 0.000 0.461 124 S N 5.706 121.433 115.700 0.046 0.000 2.715 124 S HA 0.699 5.169 4.470 0.001 0.000 0.307 124 S C -0.305 174.315 174.600 0.033 0.000 1.119 124 S CA -0.754 57.467 58.200 0.035 0.000 0.937 124 S CB 2.072 65.292 63.200 0.034 0.000 1.150 124 S HN 0.540 nan 8.310 nan 0.000 0.521 125 I N -0.450 120.137 120.570 0.028 0.000 2.532 125 I HA 0.543 4.713 4.170 0.001 0.000 0.292 125 I C -0.411 175.734 176.117 0.047 0.000 1.014 125 I CA -0.753 60.571 61.300 0.039 0.000 1.340 125 I CB 0.320 38.336 38.000 0.027 0.000 1.422 125 I HN 0.387 nan 8.210 nan 0.000 0.528 126 L N 5.972 127.242 121.223 0.078 0.000 2.454 126 L HA 0.185 4.525 4.340 0.001 0.000 0.284 126 L C 1.593 178.467 176.870 0.007 0.000 1.139 126 L CA 0.785 55.655 54.840 0.050 0.000 0.911 126 L CB 0.097 42.201 42.059 0.076 0.000 1.262 126 L HN 0.957 nan 8.230 nan 0.000 0.453 127 S N 1.848 117.546 115.700 -0.004 0.000 2.370 127 S HA -0.162 4.308 4.470 0.001 0.000 0.226 127 S C 1.102 175.683 174.600 -0.032 0.000 1.033 127 S CA 1.147 59.339 58.200 -0.012 0.000 1.011 127 S CB -0.353 62.840 63.200 -0.012 0.000 0.852 127 S HN 0.764 nan 8.310 nan 0.000 0.457 128 D N 1.872 122.242 120.400 -0.050 0.000 2.395 128 D HA 0.411 5.052 4.640 0.001 0.000 0.226 128 D C 0.456 176.687 176.300 -0.115 0.000 1.146 128 D CA 0.092 54.052 54.000 -0.067 0.000 0.830 128 D CB -0.427 40.339 40.800 -0.057 0.000 0.958 128 D HN 0.556 nan 8.370 nan 0.000 0.501 129 A N 0.900 123.627 122.820 -0.155 0.000 2.587 129 A HA 0.134 4.454 4.320 0.001 0.000 0.235 129 A C 1.410 178.844 177.584 -0.250 0.000 1.044 129 A CA 0.061 51.905 52.037 -0.321 0.000 0.754 129 A CB -0.345 18.404 19.000 -0.418 0.000 0.968 129 A HN 0.549 nan 8.150 nan 0.000 0.509 130 L N 1.035 122.079 121.223 -0.298 0.000 4.179 130 L HA -0.299 4.042 4.340 0.001 0.000 0.418 130 L C 1.707 178.512 176.870 -0.108 0.000 1.168 130 L CA 0.809 55.544 54.840 -0.174 0.000 0.972 130 L CB -2.435 39.559 42.059 -0.108 0.000 2.005 130 L HN 1.021 nan 8.230 nan 0.000 0.935 131 S N -1.585 114.051 115.700 -0.106 0.000 2.517 131 S HA 0.055 4.525 4.470 0.001 0.000 0.214 131 S C 0.656 175.219 174.600 -0.061 0.000 0.991 131 S CA 0.446 58.603 58.200 -0.072 0.000 0.906 131 S CB 0.487 63.648 63.200 -0.065 0.000 0.789 131 S HN 0.531 nan 8.310 nan 0.000 0.513 132 E N 1.562 121.720 120.200 -0.070 0.000 2.437 132 E HA 0.379 4.730 4.350 0.001 0.000 0.238 132 E C -2.374 174.188 176.600 -0.065 0.000 0.969 132 E CA -2.330 54.035 56.400 -0.059 0.000 0.759 132 E CB 1.360 31.027 29.700 -0.055 0.000 1.283 132 E HN 0.097 nan 8.360 nan 0.000 0.416 133 P HA -0.182 nan 4.420 nan 0.000 0.219 133 P C 1.194 178.458 177.300 -0.061 0.000 1.146 133 P CA 1.132 64.197 63.100 -0.058 0.000 0.808 133 P CB 0.197 31.873 31.700 -0.040 0.000 0.779 134 S N 0.031 115.701 115.700 -0.050 0.000 2.515 134 S HA -0.125 4.345 4.470 0.001 0.000 0.231 134 S C 1.661 176.228 174.600 -0.055 0.000 0.987 134 S CA 0.364 58.536 58.200 -0.046 0.000 0.936 134 S CB -0.860 62.320 63.200 -0.034 0.000 0.766 134 S HN 0.323 nan 8.310 nan 0.000 0.528 135 R N 0.400 120.861 120.500 -0.064 0.000 2.432 135 R HA 0.435 4.775 4.340 0.001 0.000 0.260 135 R C 0.025 176.268 176.300 -0.094 0.000 0.935 135 R CA -0.364 55.695 56.100 -0.068 0.000 1.080 135 R CB -0.307 29.958 30.300 -0.058 0.000 1.155 135 R HN 0.309 nan 8.270 nan 0.000 0.531 136 L N 1.568 122.720 121.223 -0.119 0.000 2.456 136 L HA 0.243 4.583 4.340 0.001 0.000 0.257 136 L C 0.182 176.910 176.870 -0.237 0.000 1.162 136 L CA -0.666 54.065 54.840 -0.181 0.000 0.808 136 L CB 0.966 42.915 42.059 -0.183 0.000 1.136 136 L HN 0.146 nan 8.230 nan 0.000 0.466 137 Q N 2.151 121.699 119.800 -0.420 0.000 2.342 137 Q HA 0.482 4.823 4.340 0.001 0.000 0.267 137 Q C -1.131 174.468 176.000 -0.669 0.000 1.038 137 Q CA -0.691 54.834 55.803 -0.464 0.000 0.832 137 Q CB 2.683 31.169 28.738 -0.420 0.000 1.323 137 Q HN 0.541 nan 8.270 nan 0.000 0.448 138 K N -0.041 120.152 120.400 -0.345 0.000 2.482 138 K HA 0.512 4.833 4.320 0.001 0.000 0.257 138 K C -0.749 175.812 176.600 -0.065 0.000 0.969 138 K CA -1.121 55.014 56.287 -0.253 0.000 0.842 138 K CB 1.384 33.762 32.500 -0.203 0.000 1.359 138 K HN 0.300 nan 8.250 nan 0.000 0.441 139 L N 2.802 124.041 121.223 0.027 0.000 2.534 139 L HA 0.112 4.453 4.340 0.001 0.000 0.271 139 L C -1.848 175.078 176.870 0.094 0.000 1.178 139 L CA -1.407 53.498 54.840 0.108 0.000 0.907 139 L CB 0.408 42.562 42.059 0.159 0.000 1.164 139 L HN 0.604 nan 8.230 nan 0.000 0.482 140 P HA -0.162 nan 4.420 nan 0.000 0.217 140 P C -0.153 176.895 177.300 -0.419 0.000 1.148 140 P CA 1.636 64.656 63.100 -0.132 0.000 0.828 140 P CB 0.040 31.707 31.700 -0.055 0.000 0.783 141 H N -2.120 116.920 119.070 -0.049 0.000 2.471 141 H HA 0.146 4.703 4.556 0.001 0.000 0.234 141 H C 0.821 175.972 175.328 -0.295 0.000 1.388 141 H CA -0.483 55.431 56.048 -0.223 0.000 1.198 141 H CB -0.231 29.450 29.762 -0.136 0.000 1.714 141 H HN 0.190 nan 8.280 nan 0.000 0.536 142 F N 1.640 121.481 119.950 -0.182 0.000 2.250 142 F HA -0.150 4.377 4.527 0.001 0.000 0.301 142 F C 2.102 177.644 175.800 -0.430 0.000 1.077 142 F CA 0.832 58.664 58.000 -0.279 0.000 1.348 142 F CB -0.022 38.711 39.000 -0.445 0.000 1.040 142 F HN 0.127 nan 8.300 nan 0.000 0.509 143 E N 1.439 120.787 120.200 -1.420 0.000 2.472 143 E HA -0.232 4.119 4.350 0.001 0.000 0.200 143 E C 1.446 177.881 176.600 -0.274 0.000 1.046 143 E CA 1.112 56.869 56.400 -1.070 0.000 0.871 143 E CB -0.761 28.306 29.700 -1.054 0.000 0.806 143 E HN 0.721 nan 8.360 nan 0.000 0.533 144 Q N -0.027 119.690 119.800 -0.139 0.000 2.398 144 Q HA 0.246 4.587 4.340 0.001 0.000 0.204 144 Q C 0.395 176.461 176.000 0.111 0.000 0.932 144 Q CA 0.229 56.036 55.803 0.006 0.000 0.916 144 Q CB 0.469 29.219 28.738 0.019 0.000 1.024 144 Q HN 0.228 nan 8.270 nan 0.000 0.504 145 L N 2.080 123.423 121.223 0.199 0.000 2.335 145 L HA 0.296 4.636 4.340 0.001 0.000 0.268 145 L C -0.178 176.931 176.870 0.398 0.000 1.037 145 L CA -0.833 54.173 54.840 0.277 0.000 0.895 145 L CB 0.862 43.094 42.059 0.288 0.000 1.266 145 L HN -0.050 nan 8.230 nan 0.000 0.439 146 V N 0.850 120.871 119.914 0.178 0.000 3.170 146 V HA 0.527 4.647 4.120 0.001 0.000 0.309 146 V C -0.508 175.575 176.094 -0.019 0.000 1.071 146 V CA -0.362 61.867 62.300 -0.119 0.000 1.063 146 V CB 1.288 32.921 31.823 -0.316 0.000 1.123 146 V HN 0.558 nan 8.190 nan 0.000 0.464 147 Y N -1.393 118.709 120.300 -0.331 0.000 2.570 147 Y HA 0.746 5.297 4.550 0.001 0.000 0.345 147 Y C -2.525 173.361 175.900 -0.024 0.000 1.014 147 Y CA -2.732 55.255 58.100 -0.189 0.000 1.063 147 Y CB 0.933 39.181 38.460 -0.354 0.000 1.272 147 Y HN 0.341 nan 8.280 nan 0.000 0.477 148 P HA -0.214 nan 4.420 nan 0.000 0.215 148 P C 1.379 178.641 177.300 -0.063 0.000 1.157 148 P CA 2.136 65.286 63.100 0.083 0.000 0.874 148 P CB 0.238 31.865 31.700 -0.122 0.000 0.790 149 Q N -2.087 117.648 119.800 -0.108 0.000 2.119 149 Q HA -0.184 4.157 4.340 0.001 0.000 0.201 149 Q C 2.054 177.940 176.000 -0.191 0.000 0.972 149 Q CA 1.217 56.973 55.803 -0.079 0.000 0.847 149 Q CB -0.588 28.225 28.738 0.125 0.000 0.903 149 Q HN 0.203 nan 8.270 nan 0.000 0.433 150 W N 0.718 121.511 121.300 -0.844 0.000 2.317 150 W HA -0.294 4.367 4.660 0.001 0.000 0.318 150 W C 1.808 178.065 176.519 -0.437 0.000 1.227 150 W CA 1.597 58.446 57.345 -0.828 0.000 1.269 150 W CB -0.516 28.022 29.460 -1.536 0.000 1.155 150 W HN 0.274 nan 8.180 nan 0.000 0.484 151 L N 0.468 121.662 121.223 -0.049 0.000 2.042 151 L HA -0.222 4.118 4.340 0.001 0.000 0.210 151 L C 2.536 179.382 176.870 -0.041 0.000 1.076 151 L CA 2.821 57.648 54.840 -0.022 0.000 0.749 151 L CB -1.657 40.572 42.059 0.282 0.000 0.893 151 L HN 0.259 nan 8.230 nan 0.000 0.432 152 H N -0.627 118.471 119.070 0.046 0.000 2.353 152 H HA -0.130 4.427 4.556 0.001 0.000 0.300 152 H C 1.795 177.065 175.328 -0.096 0.000 1.090 152 H CA 2.072 58.164 56.048 0.072 0.000 1.327 152 H CB -0.183 29.561 29.762 -0.031 0.000 1.383 152 H HN 0.397 nan 8.280 nan 0.000 0.508 153 D N 0.012 120.208 120.400 -0.340 0.000 2.144 153 D HA -0.139 4.501 4.640 0.001 0.000 0.199 153 D C 2.279 178.314 176.300 -0.443 0.000 0.984 153 D CA 0.960 54.722 54.000 -0.395 0.000 0.834 153 D CB -0.401 40.209 40.800 -0.316 0.000 0.955 153 D HN 0.348 nan 8.370 nan 0.000 0.465 154 L N 0.867 121.718 121.223 -0.621 0.000 2.056 154 L HA -0.147 4.194 4.340 0.001 0.000 0.207 154 L C 2.043 178.693 176.870 -0.366 0.000 1.078 154 L CA 1.670 56.095 54.840 -0.693 0.000 0.749 154 L CB -0.473 40.855 42.059 -1.218 0.000 0.901 154 L HN -0.053 nan 8.230 nan 0.000 0.433 155 Q N -1.033 118.622 119.800 -0.241 0.000 2.167 155 Q HA -0.207 4.133 4.340 0.001 0.000 0.202 155 Q C 2.101 178.108 176.000 0.011 0.000 0.970 155 Q CA 1.575 57.416 55.803 0.064 0.000 0.855 155 Q CB -0.113 28.711 28.738 0.143 0.000 0.911 155 Q HN 0.663 nan 8.270 nan 0.000 0.438 156 Q N -1.140 118.567 119.800 -0.154 0.000 2.389 156 Q HA 0.031 4.372 4.340 0.001 0.000 0.204 156 Q C 0.745 176.699 176.000 -0.077 0.000 0.944 156 Q CA 0.605 56.324 55.803 -0.139 0.000 0.908 156 Q CB 0.677 29.259 28.738 -0.261 0.000 1.002 156 Q HN 0.547 nan 8.270 nan 0.000 0.493 157 G N 2.006 110.760 108.800 -0.077 0.000 2.134 157 G HA2 -0.269 3.691 3.960 0.001 0.000 0.209 157 G HA3 -0.269 3.691 3.960 0.001 0.000 0.209 157 G C -0.063 174.796 174.900 -0.068 0.000 0.993 157 G CA 0.086 45.163 45.100 -0.039 0.000 0.669 157 G HN 0.216 nan 8.290 nan 0.000 0.519 158 K N 0.967 121.293 120.400 -0.122 0.000 2.298 158 K HA 0.398 4.719 4.320 0.001 0.000 0.280 158 K C 0.646 177.181 176.600 -0.109 0.000 1.032 158 K CA -0.393 55.828 56.287 -0.110 0.000 0.958 158 K CB 0.413 32.830 32.500 -0.139 0.000 0.978 158 K HN 0.308 nan 8.250 nan 0.000 0.472 159 E N 3.112 123.282 120.200 -0.051 0.000 2.417 159 E HA 0.054 4.404 4.350 0.001 0.000 0.261 159 E C -0.767 175.825 176.600 -0.013 0.000 1.000 159 E CA -0.388 56.001 56.400 -0.019 0.000 0.919 159 E CB 0.518 30.228 29.700 0.017 0.000 0.955 159 E HN 0.399 nan 8.360 nan 0.000 0.455 160 V N 0.972 120.888 119.914 0.003 0.000 3.040 160 V HA 0.484 4.605 4.120 0.001 0.000 0.312 160 V C -0.018 176.259 176.094 0.304 0.000 1.115 160 V CA -1.046 61.310 62.300 0.093 0.000 0.998 160 V CB 1.755 33.455 31.823 -0.204 0.000 1.042 160 V HN 0.588 nan 8.190 nan 0.000 0.433 161 T N 2.337 117.200 114.554 0.517 0.000 2.930 161 T HA 0.485 4.836 4.350 0.001 0.000 0.306 161 T C 0.923 176.001 174.700 0.631 0.000 1.045 161 T CA 0.945 63.364 62.100 0.531 0.000 1.134 161 T CB 0.693 69.936 68.868 0.625 0.000 0.961 161 T HN 2.458 nan 8.240 nan 0.000 0.545 162 A N 1.907 124.937 122.820 0.351 0.000 2.791 162 A HA -0.188 4.133 4.320 0.001 0.000 0.292 162 A C 0.559 178.371 177.584 0.379 0.000 1.487 162 A CA 1.182 53.366 52.037 0.244 0.000 0.760 162 A CB -1.882 17.134 19.000 0.027 0.000 1.031 162 A HN 0.856 nan 8.150 nan 0.000 0.503 163 K N 0.170 120.756 120.400 0.309 0.000 2.448 163 K HA 0.357 4.677 4.320 0.001 0.000 0.278 163 K C -2.010 174.703 176.600 0.188 0.000 1.009 163 K CA -0.949 55.477 56.287 0.231 0.000 0.995 163 K CB 0.284 32.847 32.500 0.105 0.000 0.917 163 K HN 0.264 nan 8.250 nan 0.000 0.481 164 P HA -0.113 nan 4.420 nan 0.000 0.264 164 P C -0.437 176.952 177.300 0.149 0.000 1.179 164 P CA 0.222 63.423 63.100 0.168 0.000 0.763 164 P CB 0.817 32.637 31.700 0.200 0.000 0.806 165 A N 2.927 125.820 122.820 0.122 0.000 1.929 165 A HA 0.173 4.493 4.320 0.001 0.000 0.216 165 A C 1.349 178.989 177.584 0.093 0.000 1.176 165 A CA 2.009 54.100 52.037 0.090 0.000 0.628 165 A CB -0.812 18.223 19.000 0.059 0.000 0.816 165 A HN 0.630 nan 8.150 nan 0.000 0.444 166 G N -1.252 107.613 108.800 0.109 0.000 3.340 166 G HA2 0.448 4.408 3.960 0.001 0.000 0.176 166 G HA3 0.448 4.408 3.960 0.001 0.000 0.176 166 G C -1.356 173.633 174.900 0.148 0.000 1.103 166 G CA -0.117 45.039 45.100 0.093 0.000 0.779 166 G HN 0.100 nan 8.290 nan 0.000 0.673 167 D N 0.813 121.253 120.400 0.066 0.000 2.400 167 D HA 0.342 4.982 4.640 0.001 0.000 0.238 167 D C -0.033 176.349 176.300 0.136 0.000 1.157 167 D CA 0.583 54.587 54.000 0.007 0.000 0.889 167 D CB 0.521 41.287 40.800 -0.057 0.000 1.199 167 D HN 0.485 nan 8.370 nan 0.000 0.436 168 W N -0.849 120.470 121.300 0.033 0.000 3.118 168 W HA 0.625 5.286 4.660 0.001 0.000 0.328 168 W C -1.126 175.428 176.519 0.059 0.000 1.239 168 W CA -0.959 56.419 57.345 0.055 0.000 1.176 168 W CB 0.990 30.497 29.460 0.079 0.000 1.433 168 W HN 0.101 nan 8.180 nan 0.000 0.562 169 K N 1.110 121.706 120.400 0.328 0.000 2.469 169 K HA 0.579 4.900 4.320 0.001 0.000 0.254 169 K C -1.343 175.476 176.600 0.365 0.000 0.939 169 K CA -0.893 55.520 56.287 0.210 0.000 0.812 169 K CB 3.198 35.753 32.500 0.092 0.000 1.301 169 K HN 0.271 nan 8.250 nan 0.000 0.433 170 V N 3.807 123.919 119.914 0.330 0.000 2.417 170 V HA 0.543 4.664 4.120 0.001 0.000 0.291 170 V C -0.525 175.712 176.094 0.238 0.000 1.024 170 V CA -0.672 61.825 62.300 0.328 0.000 0.861 170 V CB 1.148 33.185 31.823 0.356 0.000 0.985 170 V HN 0.588 nan 8.190 nan 0.000 0.436 171 I N 3.320 124.005 120.570 0.191 0.000 2.534 171 I HA 0.416 4.587 4.170 0.001 0.000 0.288 171 I C -0.257 175.759 176.117 -0.169 0.000 1.077 171 I CA -0.521 60.795 61.300 0.027 0.000 1.051 171 I CB 2.400 40.350 38.000 -0.083 0.000 1.234 171 I HN 0.621 nan 8.210 nan 0.000 0.425 172 E N 4.829 124.833 120.200 -0.326 0.000 2.259 172 E HA 0.585 4.936 4.350 0.001 0.000 0.281 172 E C -0.764 175.427 176.600 -0.682 0.000 1.037 172 E CA -0.465 55.467 56.400 -0.780 0.000 0.854 172 E CB 1.207 30.625 29.700 -0.469 0.000 1.051 172 E HN 0.707 nan 8.360 nan 0.000 0.409 173 A N 3.481 125.930 122.820 -0.618 0.000 2.288 173 A HA 0.780 5.100 4.320 0.001 0.000 0.320 173 A C -0.881 176.460 177.584 -0.405 0.000 1.217 173 A CA -0.042 51.661 52.037 -0.557 0.000 0.840 173 A CB 1.340 20.084 19.000 -0.426 0.000 1.179 173 A HN 0.681 nan 8.150 nan 0.000 0.504 174 A N 1.920 124.506 122.820 -0.390 0.000 2.609 174 A HA 0.630 4.950 4.320 0.001 0.000 0.291 174 A C -1.005 176.627 177.584 0.080 0.000 1.096 174 A CA -0.496 51.516 52.037 -0.041 0.000 0.684 174 A CB 0.613 19.676 19.000 0.105 0.000 1.282 174 A HN 1.431 nan 8.150 nan 0.000 0.412 175 W N 2.140 123.530 121.300 0.150 0.000 2.308 175 W HA 0.436 5.097 4.660 0.001 0.000 0.324 175 W C 0.503 177.098 176.519 0.128 0.000 1.387 175 W CA 2.314 59.761 57.345 0.170 0.000 1.250 175 W CB 0.004 29.557 29.460 0.154 0.000 1.257 175 W HN 2.028 nan 8.180 nan 0.000 0.554 176 G N 3.332 111.831 108.800 -0.501 0.000 2.782 176 G HA2 0.105 4.066 3.960 0.001 0.000 0.228 176 G HA3 0.105 4.066 3.960 0.001 0.000 0.228 176 G C -0.280 174.630 174.900 0.016 0.000 1.372 176 G CA -0.300 44.620 45.100 -0.301 0.000 0.862 176 G HN 1.365 nan 8.290 nan 0.000 0.547 177 A N 0.719 123.542 122.820 0.004 0.000 2.521 177 A HA 0.559 4.880 4.320 0.001 0.000 0.237 177 A C -1.428 176.072 177.584 -0.139 0.000 1.087 177 A CA 0.511 52.527 52.037 -0.035 0.000 0.777 177 A CB -0.488 18.477 19.000 -0.059 0.000 1.035 177 A HN 0.832 nan 8.150 nan 0.000 0.510 178 P HA 0.172 nan 4.420 nan 0.000 0.263 178 P C -0.203 176.967 177.300 -0.216 0.000 1.195 178 P CA 0.368 63.023 63.100 -0.741 0.000 0.762 178 P CB 0.639 31.769 31.700 -0.950 0.000 0.799 179 K N 2.084 122.444 120.400 -0.067 0.000 2.847 179 K HA 0.250 4.571 4.320 0.001 0.000 0.251 179 K C 1.833 178.458 176.600 0.041 0.000 1.299 179 K CA -0.098 56.197 56.287 0.014 0.000 0.926 179 K CB -0.567 31.965 32.500 0.052 0.000 1.824 179 K HN 0.127 nan 8.250 nan 0.000 0.388 180 L N 1.160 122.415 121.223 0.052 0.000 2.127 180 L HA -0.216 4.125 4.340 0.001 0.000 0.211 180 L C 2.510 179.378 176.870 -0.003 0.000 1.089 180 L CA 1.501 56.350 54.840 0.014 0.000 0.757 180 L CB -0.435 41.616 42.059 -0.014 0.000 0.899 180 L HN 0.341 nan 8.230 nan 0.000 0.434 181 Y N 0.953 121.206 120.300 -0.079 0.000 2.151 181 Y HA -0.292 4.258 4.550 0.001 0.000 0.284 181 Y C 2.382 178.333 175.900 0.085 0.000 1.166 181 Y CA 1.615 59.697 58.100 -0.029 0.000 1.163 181 Y CB -0.138 38.261 38.460 -0.102 0.000 0.974 181 Y HN 0.035 nan 8.280 nan 0.000 0.511 182 L N -0.545 120.784 121.223 0.175 0.000 2.083 182 L HA -0.262 4.079 4.340 0.001 0.000 0.209 182 L C 2.237 179.119 176.870 0.020 0.000 1.083 182 L CA 0.804 55.710 54.840 0.110 0.000 0.752 182 L CB -0.647 41.455 42.059 0.071 0.000 0.899 182 L HN 0.309 nan 8.230 nan 0.000 0.433 183 I N -0.695 119.873 120.570 -0.003 0.000 2.202 183 I HA -0.103 4.068 4.170 0.001 0.000 0.242 183 I C 1.180 177.257 176.117 -0.066 0.000 1.091 183 I CA 1.048 62.337 61.300 -0.018 0.000 1.368 183 I CB -0.945 37.058 38.000 0.006 0.000 1.058 183 I HN 0.404 nan 8.210 nan 0.000 0.410 184 S N 0.540 116.159 115.700 -0.135 0.000 2.565 184 S HA 0.531 5.002 4.470 0.001 0.000 0.274 184 S C -0.840 173.528 174.600 -0.386 0.000 1.144 184 S CA -0.864 57.200 58.200 -0.225 0.000 0.849 184 S CB 1.851 65.068 63.200 0.027 0.000 1.103 184 S HN 0.532 nan 8.310 nan 0.000 0.455 185 H N 0.361 119.264 119.070 -0.279 0.000 3.003 185 H HA 0.487 5.044 4.556 0.001 0.000 0.327 185 H C -1.041 174.263 175.328 -0.041 0.000 1.353 185 H CA -1.076 54.790 56.048 -0.303 0.000 1.142 185 H CB 0.556 29.988 29.762 -0.550 0.000 1.864 185 H HN 0.709 nan 8.280 nan 0.000 0.529 186 I N 2.181 122.783 120.570 0.053 0.000 2.845 186 I HA -0.040 4.130 4.170 0.001 0.000 0.296 186 I C -2.054 174.046 176.117 -0.028 0.000 1.216 186 I CA -1.097 59.970 61.300 -0.388 0.000 1.438 186 I CB 0.117 37.599 38.000 -0.864 0.000 1.342 186 I HN 0.284 nan 8.210 nan 0.000 0.577 187 P HA 0.029 nan 4.420 nan 0.000 0.264 187 P C 0.765 178.159 177.300 0.157 0.000 1.193 187 P CA 0.589 63.758 63.100 0.115 0.000 0.763 187 P CB 0.655 32.452 31.700 0.161 0.000 0.810 188 G N 2.016 110.928 108.800 0.187 0.000 2.205 188 G HA2 -0.243 3.718 3.960 0.001 0.000 0.261 188 G HA3 -0.243 3.718 3.960 0.001 0.000 0.261 188 G C 0.471 175.480 174.900 0.182 0.000 0.980 188 G CA 0.037 45.232 45.100 0.159 0.000 0.632 188 G HN 0.860 nan 8.290 nan 0.000 0.533 189 A N 0.252 123.218 122.820 0.243 0.000 2.520 189 A HA 0.493 4.814 4.320 0.001 0.000 0.245 189 A C 0.559 178.291 177.584 0.247 0.000 1.072 189 A CA 1.073 53.278 52.037 0.279 0.000 0.761 189 A CB 0.258 19.501 19.000 0.404 0.000 1.004 189 A HN 0.606 nan 8.150 nan 0.000 0.499 190 D N -0.005 120.503 120.400 0.181 0.000 2.451 190 D HA 0.445 5.086 4.640 0.001 0.000 0.259 190 D C -0.872 175.455 176.300 0.046 0.000 1.201 190 D CA 0.116 54.189 54.000 0.122 0.000 1.028 190 D CB 0.412 41.284 40.800 0.120 0.000 1.095 190 D HN 0.451 nan 8.370 nan 0.000 0.539 191 Y N 0.122 120.271 120.300 -0.251 0.000 2.442 191 Y HA 0.543 5.094 4.550 0.001 0.000 0.344 191 Y C -1.240 174.497 175.900 -0.271 0.000 0.976 191 Y CA -0.878 56.955 58.100 -0.445 0.000 1.040 191 Y CB 1.085 38.968 38.460 -0.962 0.000 1.228 191 Y HN 0.308 nan 8.280 nan 0.000 0.451 192 I N 5.603 125.615 120.570 -0.930 0.000 2.418 192 I HA 0.184 4.354 4.170 0.001 0.000 0.287 192 I C -1.179 174.433 176.117 -0.841 0.000 1.008 192 I CA -0.811 60.061 61.300 -0.713 0.000 1.104 192 I CB 1.414 39.038 38.000 -0.626 0.000 1.264 192 I HN 0.645 nan 8.210 nan 0.000 0.438 193 D N 4.380 124.538 120.400 -0.403 0.000 2.312 193 D HA 0.052 4.693 4.640 0.001 0.000 0.252 193 D C 1.298 177.444 176.300 -0.257 0.000 1.150 193 D CA -0.194 53.659 54.000 -0.246 0.000 0.870 193 D CB 1.611 42.388 40.800 -0.039 0.000 1.153 193 D HN 0.667 nan 8.370 nan 0.000 0.457 194 T N 1.294 115.701 114.554 -0.245 0.000 2.929 194 T HA -0.160 4.190 4.350 0.001 0.000 0.271 194 T C 1.283 175.918 174.700 -0.109 0.000 1.085 194 T CA 0.614 62.610 62.100 -0.173 0.000 1.125 194 T CB -0.164 68.686 68.868 -0.030 0.000 0.874 194 T HN 0.377 nan 8.240 nan 0.000 0.494 195 N N 1.765 120.337 118.700 -0.213 0.000 2.519 195 N HA -0.064 4.676 4.740 0.001 0.000 0.186 195 N C 1.549 177.016 175.510 -0.071 0.000 1.062 195 N CA 0.926 53.893 53.050 -0.138 0.000 0.910 195 N CB -0.157 38.176 38.487 -0.257 0.000 0.958 195 N HN 0.699 nan 8.380 nan 0.000 0.445 196 E N 0.154 120.302 120.200 -0.086 0.000 2.427 196 E HA -0.057 4.293 4.350 0.001 0.000 0.196 196 E C 1.732 178.299 176.600 -0.054 0.000 1.028 196 E CA 0.525 56.891 56.400 -0.056 0.000 0.864 196 E CB 0.323 29.999 29.700 -0.041 0.000 0.813 196 E HN 0.299 nan 8.360 nan 0.000 0.514 197 V N -1.751 118.129 119.914 -0.057 0.000 3.612 197 V HA 0.170 4.291 4.120 0.001 0.000 0.268 197 V C 0.204 176.293 176.094 -0.008 0.000 1.365 197 V CA -0.077 62.192 62.300 -0.052 0.000 1.044 197 V CB 0.079 31.843 31.823 -0.098 0.000 0.820 197 V HN 0.134 nan 8.190 nan 0.000 0.444 198 E N 0.982 121.219 120.200 0.062 0.000 2.408 198 E HA 0.776 5.127 4.350 0.001 0.000 0.275 198 E C -0.927 175.771 176.600 0.165 0.000 0.935 198 E CA -0.160 56.331 56.400 0.151 0.000 0.775 198 E CB 2.294 32.195 29.700 0.334 0.000 1.277 198 E HN 0.460 nan 8.360 nan 0.000 0.455 199 S N 0.402 116.093 115.700 -0.013 0.000 2.611 199 S HA 0.370 4.840 4.470 0.001 0.000 0.268 199 S C -0.758 173.260 174.600 -0.970 0.000 1.156 199 S CA -1.058 56.894 58.200 -0.414 0.000 0.817 199 S CB 1.302 64.352 63.200 -0.249 0.000 1.122 199 S HN 0.632 nan 8.310 nan 0.000 0.466 200 E N 1.134 120.597 120.200 -1.229 0.000 2.422 200 E HA 0.313 4.664 4.350 0.001 0.000 0.260 200 E C -1.370 174.924 176.600 -0.509 0.000 1.108 200 E CA -1.173 54.631 56.400 -0.994 0.000 0.943 200 E CB 0.482 29.801 29.700 -0.635 0.000 0.961 200 E HN 0.524 nan 8.360 nan 0.000 0.443 201 P HA 0.044 nan 4.420 nan 0.000 0.228 201 P C 0.677 177.802 177.300 -0.292 0.000 1.166 201 P CA 0.762 63.672 63.100 -0.318 0.000 0.812 201 P CB 0.430 32.005 31.700 -0.208 0.000 0.857 202 L N -2.789 118.275 121.223 -0.265 0.000 2.640 202 L HA 0.255 4.596 4.340 0.001 0.000 0.230 202 L C 0.047 177.017 176.870 0.165 0.000 1.123 202 L CA -0.116 54.654 54.840 -0.117 0.000 0.900 202 L CB -0.511 41.460 42.059 -0.145 0.000 1.146 202 L HN -0.100 nan 8.230 nan 0.000 0.484 203 W N 0.116 121.483 121.300 0.111 0.000 5.121 203 W HA -0.270 4.390 4.660 0.001 0.000 0.372 203 W C 0.379 176.939 176.519 0.068 0.000 1.394 203 W CA -0.158 57.248 57.345 0.101 0.000 0.885 203 W CB -2.032 27.494 29.460 0.111 0.000 2.520 203 W HN 0.211 nan 8.180 nan 0.000 1.455 204 N N 1.311 120.075 118.700 0.106 0.000 2.476 204 N HA 0.318 5.058 4.740 0.001 0.000 0.275 204 N C 0.403 175.923 175.510 0.016 0.000 1.190 204 N CA -0.677 52.399 53.050 0.043 0.000 0.977 204 N CB 0.479 38.950 38.487 -0.026 0.000 1.200 204 N HN 0.158 nan 8.380 nan 0.000 0.515 205 K N -0.736 119.642 120.400 -0.037 0.000 2.440 205 K HA 0.169 4.490 4.320 0.001 0.000 0.270 205 K C 0.395 176.952 176.600 -0.072 0.000 0.980 205 K CA -0.660 55.587 56.287 -0.067 0.000 0.953 205 K CB 0.162 32.562 32.500 -0.167 0.000 0.925 205 K HN 0.295 nan 8.250 nan 0.000 0.497 206 V N -0.213 119.666 119.914 -0.057 0.000 3.611 206 V HA 0.090 4.211 4.120 0.001 0.000 0.296 206 V C 0.464 176.530 176.094 -0.046 0.000 1.091 206 V CA -0.263 62.003 62.300 -0.057 0.000 1.103 206 V CB 0.881 32.675 31.823 -0.049 0.000 1.157 206 V HN 0.997 nan 8.190 nan 0.000 0.471 207 S N 0.137 115.816 115.700 -0.036 0.000 2.585 207 S HA 0.122 4.592 4.470 0.001 0.000 0.273 207 S C 0.671 175.274 174.600 0.005 0.000 1.339 207 S CA 0.221 58.412 58.200 -0.016 0.000 1.028 207 S CB 0.804 63.990 63.200 -0.023 0.000 0.906 207 S HN 0.811 nan 8.310 nan 0.000 0.528 208 D N 1.949 122.371 120.400 0.036 0.000 2.157 208 D HA -0.175 4.466 4.640 0.001 0.000 0.191 208 D C 1.722 178.006 176.300 -0.028 0.000 1.004 208 D CA 2.152 56.168 54.000 0.027 0.000 0.854 208 D CB -0.458 40.358 40.800 0.026 0.000 0.936 208 D HN 0.785 nan 8.370 nan 0.000 0.446 209 E N 0.677 120.861 120.200 -0.025 0.000 2.051 209 E HA -0.154 4.197 4.350 0.001 0.000 0.192 209 E C 2.217 178.795 176.600 -0.038 0.000 0.991 209 E CA 0.902 57.282 56.400 -0.034 0.000 0.799 209 E CB -0.314 29.370 29.700 -0.026 0.000 0.748 209 E HN 0.410 nan 8.360 nan 0.000 0.449 210 Q N -0.108 119.672 119.800 -0.034 0.000 2.167 210 Q HA -0.056 4.285 4.340 0.001 0.000 0.202 210 Q C 2.164 178.140 176.000 -0.040 0.000 0.970 210 Q CA 0.782 56.564 55.803 -0.035 0.000 0.855 210 Q CB -0.057 28.659 28.738 -0.036 0.000 0.911 210 Q HN 0.289 nan 8.270 nan 0.000 0.438 211 L N 0.501 121.696 121.223 -0.046 0.000 2.056 211 L HA -0.179 4.161 4.340 0.001 0.000 0.207 211 L C 2.519 179.320 176.870 -0.115 0.000 1.078 211 L CA 1.095 55.896 54.840 -0.065 0.000 0.749 211 L CB -0.402 41.632 42.059 -0.043 0.000 0.901 211 L HN 0.177 nan 8.230 nan 0.000 0.433 212 K N 0.492 120.812 120.400 -0.134 0.000 2.044 212 K HA -0.249 4.072 4.320 0.001 0.000 0.210 212 K C 2.080 178.633 176.600 -0.078 0.000 1.049 212 K CA 1.685 57.877 56.287 -0.159 0.000 0.927 212 K CB -0.095 32.337 32.500 -0.114 0.000 0.713 212 K HN 0.285 nan 8.250 nan 0.000 0.443 213 A N 1.686 124.479 122.820 -0.046 0.000 1.873 213 A HA -0.186 4.135 4.320 0.001 0.000 0.215 213 A C 2.159 179.743 177.584 0.000 0.000 1.186 213 A CA 1.579 53.604 52.037 -0.020 0.000 0.616 213 A CB -0.617 18.369 19.000 -0.023 0.000 0.823 213 A HN 0.482 nan 8.150 nan 0.000 0.442 214 M N -0.033 119.571 119.600 0.006 0.000 2.073 214 M HA -0.180 4.301 4.480 0.001 0.000 0.258 214 M C 2.073 178.447 176.300 0.124 0.000 1.070 214 M CA 1.967 57.310 55.300 0.072 0.000 1.103 214 M CB -0.954 31.664 32.600 0.030 0.000 1.321 214 M HN 0.416 nan 8.290 nan 0.000 0.405 215 L N 0.357 121.603 121.223 0.038 0.000 1.970 215 L HA -0.218 4.123 4.340 0.001 0.000 0.212 215 L C 2.799 179.749 176.870 0.134 0.000 1.071 215 L CA 1.740 56.628 54.840 0.081 0.000 0.751 215 L CB -1.234 40.812 42.059 -0.023 0.000 0.889 215 L HN 0.418 nan 8.230 nan 0.000 0.432 216 A N -0.154 122.722 122.820 0.094 0.000 1.903 216 A HA -0.327 3.994 4.320 0.001 0.000 0.219 216 A C 2.404 180.011 177.584 0.038 0.000 1.191 216 A CA 2.402 54.488 52.037 0.081 0.000 0.638 216 A CB -0.670 18.361 19.000 0.051 0.000 0.823 216 A HN 0.386 nan 8.150 nan 0.000 0.451 217 K N -1.338 119.063 120.400 0.001 0.000 2.103 217 K HA -0.196 4.125 4.320 0.001 0.000 0.207 217 K C 1.177 177.662 176.600 -0.192 0.000 1.048 217 K CA 1.597 57.818 56.287 -0.109 0.000 0.930 217 K CB -0.238 32.165 32.500 -0.162 0.000 0.716 217 K HN 0.710 nan 8.250 nan 0.000 0.444 218 H N -1.060 118.009 119.070 -0.001 0.000 2.519 218 H HA 0.106 4.663 4.556 0.001 0.000 0.289 218 H C 0.601 175.936 175.328 0.013 0.000 1.040 218 H CA 0.629 56.675 56.048 -0.003 0.000 1.165 218 H CB 0.590 30.344 29.762 -0.013 0.000 1.462 218 H HN 0.513 nan 8.280 nan 0.000 0.555 219 G N 1.862 110.715 108.800 0.088 0.000 2.249 219 G HA2 -0.281 3.679 3.960 0.001 0.000 0.273 219 G HA3 -0.281 3.679 3.960 0.001 0.000 0.273 219 G C 0.075 175.027 174.900 0.087 0.000 1.036 219 G CA 0.107 45.246 45.100 0.064 0.000 0.824 219 G HN 0.383 nan 8.290 nan 0.000 0.504 220 I N 0.164 120.820 120.570 0.143 0.000 2.321 220 I HA 0.462 4.633 4.170 0.001 0.000 0.291 220 I C 0.923 177.184 176.117 0.239 0.000 0.998 220 I CA -0.720 60.682 61.300 0.171 0.000 1.227 220 I CB 1.052 39.178 38.000 0.209 0.000 1.368 220 I HN 0.071 nan 8.210 nan 0.000 0.466 221 R N 2.591 123.133 120.500 0.071 0.000 2.797 221 R HA 0.315 4.656 4.340 0.001 0.000 0.251 221 R C 1.130 177.134 176.300 -0.493 0.000 1.107 221 R CA -0.735 55.272 56.100 -0.155 0.000 1.084 221 R CB 0.883 31.095 30.300 -0.146 0.000 1.205 221 R HN 0.722 nan 8.270 nan 0.000 0.515 222 H N -0.520 117.831 119.070 -1.200 0.000 2.457 222 H HA -0.101 4.456 4.556 0.001 0.000 0.297 222 H C 0.455 175.598 175.328 -0.307 0.000 1.092 222 H CA 1.818 57.324 56.048 -0.902 0.000 1.309 222 H CB 0.039 29.298 29.762 -0.837 0.000 1.382 222 H HN 0.583 nan 8.280 nan 0.000 0.535 223 D N 0.063 119.933 120.400 -0.884 0.000 2.424 223 D HA 0.052 4.692 4.640 0.001 0.000 0.220 223 D C -0.207 175.958 176.300 -0.227 0.000 1.150 223 D CA -0.342 53.331 54.000 -0.545 0.000 0.831 223 D CB -0.475 39.951 40.800 -0.623 0.000 0.981 223 D HN 0.227 nan 8.370 nan 0.000 0.500 224 T N 0.864 115.328 114.554 -0.151 0.000 2.794 224 T HA 0.229 4.580 4.350 0.001 0.000 0.296 224 T C 0.255 174.989 174.700 0.057 0.000 0.949 224 T CA -0.079 62.011 62.100 -0.017 0.000 1.101 224 T CB 1.101 69.976 68.868 0.012 0.000 0.905 224 T HN -0.000 nan 8.240 nan 0.000 0.516 225 T N 3.770 118.405 114.554 0.136 0.000 2.834 225 T HA 0.299 4.650 4.350 0.001 0.000 0.298 225 T C 0.163 175.001 174.700 0.229 0.000 0.966 225 T CA -0.337 61.876 62.100 0.189 0.000 1.141 225 T CB 0.306 69.324 68.868 0.249 0.000 0.905 225 T HN 0.314 nan 8.240 nan 0.000 0.535 226 V N 5.830 125.855 119.914 0.184 0.000 2.409 226 V HA 0.429 4.550 4.120 0.001 0.000 0.291 226 V C -0.160 176.045 176.094 0.185 0.000 1.020 226 V CA -0.870 61.537 62.300 0.179 0.000 0.848 226 V CB 1.405 33.302 31.823 0.122 0.000 0.990 226 V HN 0.718 nan 8.190 nan 0.000 0.430 227 I N 6.439 127.145 120.570 0.226 0.000 2.355 227 I HA 0.509 4.679 4.170 0.001 0.000 0.288 227 I C -0.465 175.781 176.117 0.214 0.000 0.999 227 I CA -0.348 61.088 61.300 0.226 0.000 1.163 227 I CB 1.506 39.673 38.000 0.279 0.000 1.316 227 I HN 0.400 nan 8.210 nan 0.000 0.454 228 L N 7.495 128.822 121.223 0.175 0.000 2.342 228 L HA 0.569 4.910 4.340 0.001 0.000 0.271 228 L C -0.735 176.267 176.870 0.219 0.000 1.008 228 L CA -0.728 54.184 54.840 0.121 0.000 0.818 228 L CB 2.005 44.070 42.059 0.011 0.000 1.296 228 L HN 0.564 nan 8.230 nan 0.000 0.427 229 Y N 0.494 120.829 120.300 0.059 0.000 2.625 229 Y HA 0.948 5.498 4.550 0.001 0.000 0.338 229 Y C -0.484 175.466 175.900 0.083 0.000 1.123 229 Y CA -0.998 57.162 58.100 0.100 0.000 1.046 229 Y CB 1.806 40.362 38.460 0.159 0.000 1.299 229 Y HN 0.538 nan 8.280 nan 0.000 0.464 230 G N 1.078 109.972 108.800 0.158 0.000 2.695 230 G HA2 0.451 4.411 3.960 0.001 0.000 0.290 230 G HA3 0.451 4.411 3.960 0.001 0.000 0.290 230 G C -0.747 174.341 174.900 0.314 0.000 1.410 230 G CA -1.270 43.861 45.100 0.051 0.000 0.844 230 G HN 0.612 nan 8.290 nan 0.000 0.478 231 R N -0.419 120.229 120.500 0.246 0.000 2.120 231 R HA 0.042 4.383 4.340 0.001 0.000 0.234 231 R C 0.088 176.537 176.300 0.248 0.000 1.123 231 R CA 1.196 57.473 56.100 0.294 0.000 0.975 231 R CB 0.115 30.531 30.300 0.194 0.000 0.866 231 R HN 0.490 nan 8.270 nan 0.000 0.446 232 D N -0.962 119.575 120.400 0.227 0.000 2.391 232 D HA 0.081 4.721 4.640 0.001 0.000 0.245 232 D C 0.787 177.212 176.300 0.207 0.000 1.069 232 D CA -0.317 53.797 54.000 0.189 0.000 0.831 232 D CB 2.349 43.324 40.800 0.292 0.000 1.204 232 D HN -0.260 nan 8.370 nan 0.000 0.503 233 V N 2.743 122.733 119.914 0.126 0.000 2.317 233 V HA -0.318 3.803 4.120 0.001 0.000 0.251 233 V C 2.168 178.372 176.094 0.183 0.000 1.065 233 V CA 1.818 64.200 62.300 0.137 0.000 1.049 233 V CB -0.892 31.003 31.823 0.119 0.000 0.651 233 V HN 0.689 nan 8.190 nan 0.000 0.450 234 Y N -0.236 120.097 120.300 0.055 0.000 2.352 234 Y HA -0.025 4.525 4.550 0.001 0.000 0.292 234 Y C 2.386 178.164 175.900 -0.203 0.000 1.136 234 Y CA 0.613 58.713 58.100 -0.001 0.000 1.227 234 Y CB -0.675 37.860 38.460 0.125 0.000 0.991 234 Y HN 0.184 nan 8.280 nan 0.000 0.545 235 A N 1.883 124.729 122.820 0.043 0.000 1.902 235 A HA -0.075 4.246 4.320 0.001 0.000 0.217 235 A C 2.480 179.772 177.584 -0.487 0.000 1.181 235 A CA 1.808 53.446 52.037 -0.665 0.000 0.623 235 A CB -1.144 17.680 19.000 -0.292 0.000 0.818 235 A HN 0.622 nan 8.150 nan 0.000 0.443 236 A N -0.164 122.530 122.820 -0.209 0.000 1.898 236 A HA 0.208 4.528 4.320 0.001 0.000 0.216 236 A C 2.508 179.994 177.584 -0.164 0.000 1.181 236 A CA 1.957 53.888 52.037 -0.176 0.000 0.620 236 A CB -1.046 17.923 19.000 -0.052 0.000 0.819 236 A HN 1.068 nan 8.150 nan 0.000 0.442 237 A N -0.026 122.721 122.820 -0.121 0.000 1.940 237 A HA -0.189 4.132 4.320 0.001 0.000 0.219 237 A C 2.166 179.640 177.584 -0.183 0.000 1.176 237 A CA 2.265 54.235 52.037 -0.111 0.000 0.631 237 A CB -0.456 18.484 19.000 -0.101 0.000 0.814 237 A HN 0.499 nan 8.150 nan 0.000 0.446 238 R N 0.022 120.321 120.500 -0.336 0.000 2.070 238 R HA -0.087 4.253 4.340 0.001 0.000 0.233 238 R C 1.813 177.922 176.300 -0.318 0.000 1.137 238 R CA 2.235 58.085 56.100 -0.417 0.000 0.945 238 R CB -1.286 28.481 30.300 -0.889 0.000 0.845 238 R HN 0.223 nan 8.270 nan 0.000 0.430 239 V N 1.104 120.814 119.914 -0.340 0.000 2.324 239 V HA -0.265 3.856 4.120 0.001 0.000 0.250 239 V C 2.404 178.410 176.094 -0.147 0.000 1.060 239 V CA 2.093 64.245 62.300 -0.245 0.000 1.042 239 V CB -1.073 30.583 31.823 -0.278 0.000 0.650 239 V HN 0.585 nan 8.190 nan 0.000 0.450 240 A N -0.972 121.779 122.820 -0.115 0.000 1.873 240 A HA -0.249 4.072 4.320 0.001 0.000 0.215 240 A C 2.265 179.849 177.584 0.001 0.000 1.186 240 A CA 1.773 53.793 52.037 -0.028 0.000 0.616 240 A CB -0.577 18.428 19.000 0.009 0.000 0.823 240 A HN 0.494 nan 8.150 nan 0.000 0.442 241 Q N 0.024 119.789 119.800 -0.057 0.000 2.124 241 Q HA -0.141 4.200 4.340 0.001 0.000 0.202 241 Q C 1.985 177.921 176.000 -0.108 0.000 0.977 241 Q CA 1.681 57.389 55.803 -0.160 0.000 0.850 241 Q CB -0.268 28.213 28.738 -0.429 0.000 0.901 241 Q HN 0.736 nan 8.270 nan 0.000 0.429 242 I N 0.073 120.585 120.570 -0.096 0.000 2.394 242 I HA -0.276 3.895 4.170 0.001 0.000 0.251 242 I C 2.455 178.623 176.117 0.086 0.000 1.136 242 I CA 0.842 62.122 61.300 -0.033 0.000 1.425 242 I CB -0.178 37.767 38.000 -0.091 0.000 1.079 242 I HN 0.224 nan 8.210 nan 0.000 0.425 243 M N -0.166 119.464 119.600 0.049 0.000 2.254 243 M HA -0.131 4.349 4.480 0.001 0.000 0.265 243 M C 2.275 178.659 176.300 0.139 0.000 1.066 243 M CA 1.518 56.870 55.300 0.087 0.000 1.123 243 M CB -0.117 32.524 32.600 0.069 0.000 1.388 243 M HN 0.237 nan 8.290 nan 0.000 0.425 244 L N -1.134 120.170 121.223 0.136 0.000 2.027 244 L HA -0.230 4.111 4.340 0.001 0.000 0.206 244 L C 2.580 179.546 176.870 0.160 0.000 1.074 244 L CA 1.451 56.389 54.840 0.164 0.000 0.745 244 L CB -0.879 41.304 42.059 0.206 0.000 0.898 244 L HN 0.234 nan 8.230 nan 0.000 0.433 245 Y N 0.958 121.275 120.300 0.028 0.000 2.069 245 Y HA -0.419 4.131 4.550 0.001 0.000 0.278 245 Y C 2.437 178.355 175.900 0.029 0.000 1.175 245 Y CA 1.803 59.912 58.100 0.015 0.000 1.134 245 Y CB -0.466 37.971 38.460 -0.038 0.000 0.965 245 Y HN 0.131 nan 8.280 nan 0.000 0.498 246 A N -0.631 122.164 122.820 -0.041 0.000 1.902 246 A HA 0.104 4.425 4.320 0.001 0.000 0.217 246 A C 2.079 179.625 177.584 -0.063 0.000 1.181 246 A CA 2.126 54.059 52.037 -0.173 0.000 0.623 246 A CB -1.272 17.672 19.000 -0.093 0.000 0.818 246 A HN 1.164 nan 8.150 nan 0.000 0.443 247 G N -3.048 105.847 108.800 0.158 0.000 2.834 247 G HA2 0.056 4.016 3.960 0.001 0.000 0.217 247 G HA3 0.056 4.016 3.960 0.001 0.000 0.217 247 G C -0.063 175.073 174.900 0.393 0.000 0.974 247 G CA -0.095 45.193 45.100 0.314 0.000 0.826 247 G HN 0.696 nan 8.290 nan 0.000 0.584 248 V N 2.163 122.318 119.914 0.402 0.000 2.450 248 V HA 0.144 4.265 4.120 0.001 0.000 0.281 248 V C 1.819 178.003 176.094 0.150 0.000 1.019 248 V CA 1.207 63.658 62.300 0.253 0.000 1.062 248 V CB 1.240 33.203 31.823 0.233 0.000 0.979 248 V HN 0.434 nan 8.190 nan 0.000 0.477 249 K N 3.059 123.516 120.400 0.094 0.000 2.057 249 K HA -0.098 4.223 4.320 0.001 0.000 0.206 249 K C 0.665 177.302 176.600 0.062 0.000 1.050 249 K CA 1.235 57.567 56.287 0.075 0.000 0.935 249 K CB 0.220 32.752 32.500 0.053 0.000 0.715 249 K HN 0.752 nan 8.250 nan 0.000 0.439 250 D N 0.811 121.247 120.400 0.060 0.000 2.464 250 D HA 0.194 4.834 4.640 0.001 0.000 0.243 250 D C -1.671 174.684 176.300 0.091 0.000 1.104 250 D CA -0.394 53.646 54.000 0.065 0.000 0.883 250 D CB 1.119 41.960 40.800 0.068 0.000 1.050 250 D HN -0.172 nan 8.370 nan 0.000 0.524 251 V N 4.298 124.266 119.914 0.090 0.000 2.540 251 V HA 0.619 4.740 4.120 0.001 0.000 0.302 251 V C 0.188 176.339 176.094 0.095 0.000 1.035 251 V CA -0.761 61.601 62.300 0.102 0.000 0.873 251 V CB 1.969 33.855 31.823 0.105 0.000 0.992 251 V HN 0.346 nan 8.190 nan 0.000 0.428 252 R N 3.532 124.097 120.500 0.108 0.000 2.795 252 R HA 0.794 5.135 4.340 0.001 0.000 0.275 252 R C -1.533 174.843 176.300 0.127 0.000 0.981 252 R CA -0.720 55.444 56.100 0.107 0.000 0.917 252 R CB 2.341 32.700 30.300 0.098 0.000 1.202 252 R HN 0.559 nan 8.270 nan 0.000 0.469 253 L N 2.030 123.336 121.223 0.137 0.000 2.334 253 L HA 0.469 4.810 4.340 0.001 0.000 0.273 253 L C -0.739 176.240 176.870 0.181 0.000 1.013 253 L CA -1.308 53.628 54.840 0.160 0.000 0.816 253 L CB 1.647 43.801 42.059 0.159 0.000 1.278 253 L HN 0.340 nan 8.230 nan 0.000 0.431 254 L N 2.522 123.873 121.223 0.214 0.000 2.456 254 L HA 0.143 4.483 4.340 0.001 0.000 0.277 254 L C 0.039 177.026 176.870 0.195 0.000 1.124 254 L CA 0.192 55.156 54.840 0.205 0.000 0.880 254 L CB 0.049 42.248 42.059 0.233 0.000 1.192 254 L HN 0.409 nan 8.230 nan 0.000 0.463 255 D N 4.348 124.853 120.400 0.176 0.000 2.434 255 D HA 0.316 4.957 4.640 0.001 0.000 0.252 255 D C 1.229 177.595 176.300 0.110 0.000 1.185 255 D CA 1.374 55.470 54.000 0.160 0.000 0.886 255 D CB 0.649 41.542 40.800 0.155 0.000 1.148 255 D HN 0.877 nan 8.370 nan 0.000 0.483 256 G N 2.363 111.206 108.800 0.072 0.000 2.179 256 G HA2 -0.085 3.876 3.960 0.001 0.000 0.260 256 G HA3 -0.085 3.876 3.960 0.001 0.000 0.260 256 G C 0.908 175.845 174.900 0.061 0.000 0.977 256 G CA 0.368 45.466 45.100 -0.005 0.000 0.641 256 G HN 1.518 nan 8.290 nan 0.000 0.533 257 G N -1.194 107.698 108.800 0.154 0.000 2.698 257 G HA2 -0.201 3.759 3.960 0.001 0.000 0.233 257 G HA3 -0.201 3.759 3.960 0.001 0.000 0.233 257 G C 0.987 176.080 174.900 0.321 0.000 1.352 257 G CA 0.738 46.001 45.100 0.271 0.000 0.879 257 G HN 1.507 nan 8.290 nan 0.000 0.567 258 W N 0.442 121.910 121.300 0.280 0.000 2.305 258 W HA -0.237 4.424 4.660 0.001 0.000 0.308 258 W C 2.285 178.917 176.519 0.188 0.000 1.226 258 W CA 2.928 60.413 57.345 0.232 0.000 1.253 258 W CB -0.219 29.440 29.460 0.332 0.000 1.146 258 W HN 0.672 nan 8.180 nan 0.000 0.507 259 Q N 0.577 120.398 119.800 0.036 0.000 2.152 259 Q HA -0.220 4.121 4.340 0.001 0.000 0.206 259 Q C 2.454 178.341 176.000 -0.188 0.000 0.985 259 Q CA 3.544 59.269 55.803 -0.129 0.000 0.863 259 Q CB -0.990 27.766 28.738 0.030 0.000 0.904 259 Q HN 0.433 nan 8.270 nan 0.000 0.422 260 T N -2.814 111.687 114.554 -0.087 0.000 2.833 260 T HA -0.164 4.187 4.350 0.001 0.000 0.269 260 T C 1.543 176.155 174.700 -0.146 0.000 1.054 260 T CA 1.066 63.120 62.100 -0.078 0.000 1.135 260 T CB -0.680 68.191 68.868 0.004 0.000 0.869 260 T HN 0.520 nan 8.240 nan 0.000 0.466 261 W N 1.445 122.508 121.300 -0.395 0.000 2.408 261 W HA -0.013 4.647 4.660 0.001 0.000 0.311 261 W C 2.613 178.760 176.519 -0.620 0.000 1.190 261 W CA 1.148 58.200 57.345 -0.488 0.000 1.321 261 W CB -0.658 28.467 29.460 -0.558 0.000 1.143 261 W HN 0.372 nan 8.180 nan 0.000 0.501 262 S N 0.793 116.055 115.700 -0.730 0.000 2.365 262 S HA -0.227 4.243 4.470 0.001 0.000 0.225 262 S C 1.295 175.690 174.600 -0.341 0.000 1.039 262 S CA 2.218 60.062 58.200 -0.594 0.000 1.033 262 S CB -0.487 62.346 63.200 -0.612 0.000 0.887 262 S HN 0.184 nan 8.310 nan 0.000 0.447 263 D N 0.794 121.021 120.400 -0.288 0.000 2.264 263 D HA 0.099 4.740 4.640 0.001 0.000 0.208 263 D C 1.753 177.926 176.300 -0.211 0.000 0.966 263 D CA 0.939 54.825 54.000 -0.192 0.000 0.864 263 D CB -0.342 40.377 40.800 -0.135 0.000 0.933 263 D HN 0.458 nan 8.370 nan 0.000 0.499 264 A N -0.053 122.584 122.820 -0.305 0.000 2.235 264 A HA 0.340 4.661 4.320 0.001 0.000 0.208 264 A C 1.833 179.210 177.584 -0.345 0.000 1.172 264 A CA 0.935 52.778 52.037 -0.325 0.000 0.786 264 A CB -0.459 18.284 19.000 -0.428 0.000 0.804 264 A HN 0.213 nan 8.150 nan 0.000 0.479 265 G N -0.716 107.889 108.800 -0.325 0.000 2.233 265 G HA2 -0.265 3.696 3.960 0.001 0.000 0.270 265 G HA3 -0.265 3.696 3.960 0.001 0.000 0.270 265 G C 0.185 174.891 174.900 -0.324 0.000 1.011 265 G CA 0.641 45.586 45.100 -0.258 0.000 0.762 265 G HN 0.482 nan 8.290 nan 0.000 0.511 266 L N 0.084 120.970 121.223 -0.562 0.000 2.472 266 L HA 0.354 4.694 4.340 0.001 0.000 0.260 266 L C -1.216 175.512 176.870 -0.238 0.000 1.209 266 L CA -1.932 52.513 54.840 -0.658 0.000 0.817 266 L CB 0.151 41.362 42.059 -1.413 0.000 1.106 266 L HN -0.061 nan 8.230 nan 0.000 0.479 267 P HA 0.059 nan 4.420 nan 0.000 0.267 267 P C -1.134 176.375 177.300 0.349 0.000 1.200 267 P CA -0.104 63.068 63.100 0.120 0.000 0.772 267 P CB 0.594 32.369 31.700 0.125 0.000 0.855 268 V N -1.010 119.035 119.914 0.219 0.000 2.914 268 V HA 0.598 4.719 4.120 0.001 0.000 0.314 268 V C -0.278 175.809 176.094 -0.012 0.000 1.084 268 V CA -0.806 61.600 62.300 0.176 0.000 0.963 268 V CB 2.205 34.169 31.823 0.236 0.000 1.025 268 V HN 0.418 nan 8.190 nan 0.000 0.432 269 E N 1.391 121.460 120.200 -0.218 0.000 2.405 269 E HA 0.802 5.152 4.350 0.001 0.000 0.249 269 E C -0.759 175.429 176.600 -0.686 0.000 1.028 269 E CA -1.109 55.090 56.400 -0.336 0.000 0.897 269 E CB 2.090 31.667 29.700 -0.206 0.000 1.262 269 E HN 0.745 nan 8.360 nan 0.000 0.442 270 R N -1.111 119.110 120.500 -0.466 0.000 2.710 270 R HA 0.526 4.867 4.340 0.001 0.000 0.270 270 R C -0.957 175.344 176.300 0.001 0.000 1.021 270 R CA 0.368 56.316 56.100 -0.254 0.000 0.889 270 R CB 1.870 32.099 30.300 -0.118 0.000 1.243 270 R HN 0.705 nan 8.270 nan 0.000 0.464 271 G N 0.577 109.413 108.800 0.061 0.000 2.728 271 G HA2 -0.209 3.752 3.960 0.001 0.000 0.294 271 G HA3 -0.209 3.752 3.960 0.001 0.000 0.294 271 G C -0.533 174.492 174.900 0.209 0.000 1.342 271 G CA -0.426 44.740 45.100 0.110 0.000 0.866 271 G HN 0.937 nan 8.290 nan 0.000 0.534 272 T N -0.036 114.608 114.554 0.150 0.000 2.900 272 T HA 0.563 4.914 4.350 0.001 0.000 0.307 272 T C -1.915 172.900 174.700 0.192 0.000 1.065 272 T CA -0.322 61.861 62.100 0.138 0.000 1.105 272 T CB 1.298 70.192 68.868 0.042 0.000 0.979 272 T HN 0.633 nan 8.240 nan 0.000 0.544 273 P HA 0.234 nan 4.420 nan 0.000 0.267 273 P C -2.287 175.054 177.300 0.069 0.000 1.205 273 P CA -1.134 62.026 63.100 0.101 0.000 0.765 273 P CB -0.680 30.955 31.700 -0.108 0.000 0.828 274 P HA 0.087 nan 4.420 nan 0.000 0.271 274 P C 0.195 177.507 177.300 0.021 0.000 1.218 274 P CA -0.171 62.962 63.100 0.055 0.000 0.780 274 P CB 0.475 32.215 31.700 0.067 0.000 0.901 275 K N 1.583 121.985 120.400 0.003 0.000 2.548 275 K HA 0.013 4.334 4.320 0.001 0.000 0.277 275 K C -0.473 176.114 176.600 -0.021 0.000 1.001 275 K CA 0.503 56.780 56.287 -0.018 0.000 1.102 275 K CB -0.076 32.415 32.500 -0.015 0.000 0.848 275 K HN 0.209 nan 8.250 nan 0.000 0.487 276 V N 5.147 125.035 119.914 -0.044 0.000 2.483 276 V HA 0.177 4.297 4.120 0.001 0.000 0.295 276 V C 0.662 176.731 176.094 -0.042 0.000 1.035 276 V CA -0.824 61.452 62.300 -0.040 0.000 0.896 276 V CB 1.687 33.483 31.823 -0.045 0.000 0.986 276 V HN 0.533 nan 8.190 nan 0.000 0.447 277 K N 3.555 123.937 120.400 -0.030 0.000 2.336 277 K HA 0.339 4.660 4.320 0.001 0.000 0.290 277 K C 0.365 176.953 176.600 -0.021 0.000 1.067 277 K CA -0.029 56.243 56.287 -0.026 0.000 0.962 277 K CB 0.641 33.126 32.500 -0.024 0.000 1.008 277 K HN 0.888 nan 8.250 nan 0.000 0.467 278 A N 4.365 127.171 122.820 -0.023 0.000 2.587 278 A HA -0.040 4.280 4.320 0.001 0.000 0.233 278 A C 0.011 177.600 177.584 0.008 0.000 1.049 278 A CA 0.463 52.493 52.037 -0.012 0.000 0.754 278 A CB 0.184 19.174 19.000 -0.017 0.000 0.977 278 A HN 0.621 nan 8.150 nan 0.000 0.509 279 E N 3.330 123.548 120.200 0.031 0.000 2.376 279 E HA 0.207 4.558 4.350 0.001 0.000 0.236 279 E C -1.820 174.820 176.600 0.067 0.000 0.962 279 E CA -1.788 54.641 56.400 0.047 0.000 0.768 279 E CB 0.896 30.635 29.700 0.065 0.000 1.236 279 E HN 0.461 nan 8.360 nan 0.000 0.431 280 P HA -0.180 nan 4.420 nan 0.000 0.215 280 P C 0.367 177.716 177.300 0.081 0.000 1.157 280 P CA 1.268 64.399 63.100 0.051 0.000 0.874 280 P CB 0.371 32.091 31.700 0.033 0.000 0.790 281 D N -1.597 118.856 120.400 0.088 0.000 2.373 281 D HA 0.089 4.730 4.640 0.001 0.000 0.227 281 D C 0.543 176.944 176.300 0.170 0.000 1.091 281 D CA -0.750 53.316 54.000 0.110 0.000 0.840 281 D CB 0.141 40.982 40.800 0.069 0.000 1.060 281 D HN -0.213 nan 8.370 nan 0.000 0.502 282 F N 3.566 123.545 119.950 0.047 0.000 2.186 282 F HA 0.102 4.630 4.527 0.001 0.000 0.299 282 F C 2.067 177.950 175.800 0.140 0.000 1.090 282 F CA 1.991 60.039 58.000 0.080 0.000 1.307 282 F CB 0.044 39.073 39.000 0.049 0.000 1.019 282 F HN 0.643 nan 8.300 nan 0.000 0.489 283 G N -0.289 108.562 108.800 0.086 0.000 2.195 283 G HA2 -0.157 3.804 3.960 0.001 0.000 0.224 283 G HA3 -0.157 3.804 3.960 0.001 0.000 0.224 283 G C -0.004 174.738 174.900 -0.263 0.000 0.990 283 G CA 0.272 45.344 45.100 -0.047 0.000 0.639 283 G HN 1.108 nan 8.290 nan 0.000 0.514 284 V N -3.168 116.645 119.914 -0.168 0.000 3.159 284 V HA 0.820 4.940 4.120 0.001 0.000 0.308 284 V C -0.154 176.002 176.094 0.104 0.000 1.190 284 V CA -1.562 60.673 62.300 -0.108 0.000 1.037 284 V CB 1.635 33.326 31.823 -0.221 0.000 1.060 284 V HN 0.288 nan 8.190 nan 0.000 0.437 285 K N 2.420 122.844 120.400 0.039 0.000 2.368 285 K HA 0.529 4.850 4.320 0.001 0.000 0.282 285 K C -0.679 175.936 176.600 0.024 0.000 1.035 285 K CA -0.101 56.205 56.287 0.032 0.000 0.973 285 K CB 1.011 33.509 32.500 -0.003 0.000 0.957 285 K HN 0.601 nan 8.250 nan 0.000 0.474 286 I N 5.516 126.069 120.570 -0.027 0.000 2.342 286 I HA 0.162 4.332 4.170 0.001 0.000 0.291 286 I C -1.742 174.301 176.117 -0.125 0.000 1.010 286 I CA -2.107 59.116 61.300 -0.128 0.000 1.308 286 I CB 0.876 38.736 38.000 -0.234 0.000 1.400 286 I HN 0.421 nan 8.210 nan 0.000 0.488 287 P HA 0.292 nan 4.420 nan 0.000 0.292 287 P C -0.127 177.032 177.300 -0.236 0.000 1.283 287 P CA -0.526 62.342 63.100 -0.386 0.000 0.835 287 P CB 2.057 33.262 31.700 -0.826 0.000 1.017 288 A N 2.643 125.368 122.820 -0.158 0.000 2.081 288 A HA 0.007 4.327 4.320 0.001 0.000 0.214 288 A C 0.959 178.498 177.584 -0.075 0.000 1.158 288 A CA 0.836 52.834 52.037 -0.064 0.000 0.724 288 A CB -0.224 18.792 19.000 0.028 0.000 0.826 288 A HN 0.481 nan 8.150 nan 0.000 0.463 289 Q N -0.462 119.251 119.800 -0.145 0.000 2.656 289 Q HA 0.180 4.521 4.340 0.001 0.000 0.389 289 Q C -2.226 173.738 176.000 -0.059 0.000 0.883 289 Q CA -1.613 54.160 55.803 -0.051 0.000 1.056 289 Q CB 0.912 29.678 28.738 0.047 0.000 1.391 289 Q HN 0.428 nan 8.270 nan 0.000 0.399 290 P HA -0.204 nan 4.420 nan 0.000 0.220 290 P C 1.294 178.724 177.300 0.216 0.000 1.148 290 P CA 1.158 64.301 63.100 0.072 0.000 0.803 290 P CB 0.273 32.002 31.700 0.049 0.000 0.782 291 Q N 0.507 120.392 119.800 0.142 0.000 2.443 291 Q HA -0.120 4.220 4.340 0.001 0.000 0.213 291 Q C 1.722 177.839 176.000 0.195 0.000 0.982 291 Q CA 1.184 57.078 55.803 0.152 0.000 0.894 291 Q CB -1.304 27.506 28.738 0.120 0.000 0.947 291 Q HN 0.341 nan 8.270 nan 0.000 0.480 292 L N -0.640 120.727 121.223 0.240 0.000 2.492 292 L HA 0.200 4.541 4.340 0.001 0.000 0.223 292 L C 0.880 177.830 176.870 0.133 0.000 1.132 292 L CA 0.083 55.065 54.840 0.236 0.000 0.850 292 L CB 0.030 42.231 42.059 0.237 0.000 0.966 292 L HN 0.177 nan 8.230 nan 0.000 0.454 293 M N 0.563 120.260 119.600 0.161 0.000 2.259 293 M HA 0.454 4.934 4.480 0.001 0.000 0.304 293 M C -1.175 175.188 176.300 0.105 0.000 1.019 293 M CA -0.159 55.170 55.300 0.048 0.000 0.922 293 M CB 1.674 34.169 32.600 -0.174 0.000 1.600 293 M HN -0.163 nan 8.290 nan 0.000 0.433 294 L N 3.748 125.057 121.223 0.144 0.000 2.322 294 L HA 0.522 4.862 4.340 0.001 0.000 0.279 294 L C -0.215 176.795 176.870 0.233 0.000 1.036 294 L CA -1.102 53.834 54.840 0.161 0.000 0.807 294 L CB 1.408 43.553 42.059 0.144 0.000 1.226 294 L HN 0.713 nan 8.230 nan 0.000 0.433 295 D N 1.391 121.882 120.400 0.152 0.000 2.478 295 D HA 0.084 4.724 4.640 0.001 0.000 0.269 295 D C 0.966 177.315 176.300 0.081 0.000 1.232 295 D CA -0.516 53.590 54.000 0.178 0.000 1.059 295 D CB 0.792 41.644 40.800 0.086 0.000 1.104 295 D HN 0.547 nan 8.370 nan 0.000 0.566 296 M N -0.509 119.150 119.600 0.098 0.000 2.080 296 M HA -0.208 4.272 4.480 0.001 0.000 0.260 296 M C 1.541 177.751 176.300 -0.150 0.000 1.068 296 M CA 1.774 57.006 55.300 -0.114 0.000 1.109 296 M CB -0.138 32.484 32.600 0.036 0.000 1.342 296 M HN 0.390 nan 8.290 nan 0.000 0.405 297 E N 0.257 120.413 120.200 -0.073 0.000 2.085 297 E HA -0.237 4.114 4.350 0.001 0.000 0.194 297 E C 1.941 178.511 176.600 -0.050 0.000 0.994 297 E CA 1.670 58.037 56.400 -0.055 0.000 0.801 297 E CB -0.301 29.376 29.700 -0.038 0.000 0.743 297 E HN 0.625 nan 8.360 nan 0.000 0.453 298 Q N 0.015 119.785 119.800 -0.050 0.000 2.046 298 Q HA -0.076 4.265 4.340 0.001 0.000 0.200 298 Q C 2.241 178.196 176.000 -0.075 0.000 0.975 298 Q CA 1.515 57.298 55.803 -0.034 0.000 0.836 298 Q CB -0.263 28.476 28.738 0.002 0.000 0.896 298 Q HN 0.331 nan 8.270 nan 0.000 0.428 299 A N 1.269 123.973 122.820 -0.192 0.000 1.883 299 A HA -0.253 4.067 4.320 0.001 0.000 0.217 299 A C 2.046 179.525 177.584 -0.175 0.000 1.186 299 A CA 1.695 53.554 52.037 -0.295 0.000 0.624 299 A CB -0.605 17.875 19.000 -0.867 0.000 0.822 299 A HN 0.247 nan 8.150 nan 0.000 0.444 300 R N -0.570 119.888 120.500 -0.070 0.000 2.127 300 R HA -0.130 4.210 4.340 0.001 0.000 0.238 300 R C 2.145 178.463 176.300 0.030 0.000 1.134 300 R CA 1.367 57.519 56.100 0.087 0.000 0.975 300 R CB -0.662 29.752 30.300 0.190 0.000 0.865 300 R HN 0.495 nan 8.270 nan 0.000 0.447 301 G N 0.568 109.369 108.800 0.002 0.000 2.498 301 G HA2 -0.177 3.784 3.960 0.001 0.000 0.219 301 G HA3 -0.177 3.784 3.960 0.001 0.000 0.219 301 G C 1.286 176.187 174.900 0.002 0.000 1.119 301 G CA 0.342 45.448 45.100 0.010 0.000 0.766 301 G HN 0.273 nan 8.290 nan 0.000 0.552 302 L N -0.195 121.013 121.223 -0.026 0.000 2.509 302 L HA 0.302 4.642 4.340 0.001 0.000 0.222 302 L C 0.995 177.834 176.870 -0.051 0.000 1.123 302 L CA -0.349 54.473 54.840 -0.030 0.000 0.856 302 L CB -0.171 41.863 42.059 -0.042 0.000 0.985 302 L HN 0.086 nan 8.230 nan 0.000 0.456 303 L N -0.243 120.926 121.223 -0.091 0.000 2.452 303 L HA 0.066 4.406 4.340 0.001 0.000 0.267 303 L C 0.443 177.193 176.870 -0.199 0.000 1.188 303 L CA -0.039 54.645 54.840 -0.261 0.000 0.821 303 L CB -0.031 41.794 42.059 -0.390 0.000 1.102 303 L HN 0.316 nan 8.230 nan 0.000 0.470 304 H N -0.014 119.095 119.070 0.066 0.000 2.839 304 H HA -0.151 4.405 4.556 0.001 0.000 0.298 304 H C -0.448 174.912 175.328 0.054 0.000 1.224 304 H CA 0.253 56.340 56.048 0.064 0.000 1.144 304 H CB -1.267 28.531 29.762 0.060 0.000 1.372 304 H HN 0.504 nan 8.280 nan 0.000 0.408 305 R N -0.052 120.503 120.500 0.091 0.000 2.744 305 R HA 0.230 4.570 4.340 0.001 0.000 0.279 305 R C 0.856 177.194 176.300 0.063 0.000 0.977 305 R CA -0.876 55.268 56.100 0.073 0.000 0.906 305 R CB 1.340 31.668 30.300 0.048 0.000 1.197 305 R HN 0.035 nan 8.270 nan 0.000 0.463 306 Q N 1.073 120.907 119.800 0.056 0.000 2.187 306 Q HA -0.102 4.239 4.340 0.001 0.000 0.199 306 Q C 0.550 176.571 176.000 0.034 0.000 0.957 306 Q CA 1.763 57.595 55.803 0.048 0.000 0.857 306 Q CB 0.273 29.036 28.738 0.041 0.000 0.929 306 Q HN 0.647 nan 8.270 nan 0.000 0.453 307 D N -1.018 119.399 120.400 0.027 0.000 2.358 307 D HA 0.327 4.967 4.640 0.001 0.000 0.224 307 D C -0.488 175.819 176.300 0.011 0.000 1.123 307 D CA 0.222 54.231 54.000 0.014 0.000 0.833 307 D CB 0.066 40.874 40.800 0.014 0.000 0.946 307 D HN 0.156 nan 8.370 nan 0.000 0.505 308 A N -0.787 122.042 122.820 0.015 0.000 2.605 308 A HA 0.647 4.967 4.320 0.001 0.000 0.294 308 A C -1.263 176.324 177.584 0.004 0.000 1.062 308 A CA -0.695 51.346 52.037 0.006 0.000 0.682 308 A CB 1.587 20.590 19.000 0.006 0.000 1.278 308 A HN -0.007 nan 8.150 nan 0.000 0.410 309 S N -0.005 115.684 115.700 -0.018 0.000 2.548 309 S HA 0.624 5.095 4.470 0.001 0.000 0.276 309 S C -1.494 173.067 174.600 -0.066 0.000 1.129 309 S CA -0.412 57.773 58.200 -0.026 0.000 0.931 309 S CB 1.522 64.707 63.200 -0.024 0.000 1.068 309 S HN 1.225 nan 8.310 nan 0.000 0.480 310 L N 4.237 125.440 121.223 -0.033 0.000 2.287 310 L HA 0.716 5.057 4.340 0.001 0.000 0.287 310 L C -1.251 175.665 176.870 0.077 0.000 1.022 310 L CA -0.327 54.519 54.840 0.009 0.000 0.814 310 L CB 1.155 43.204 42.059 -0.016 0.000 1.217 310 L HN 0.447 nan 8.230 nan 0.000 0.420 311 V N 4.039 123.970 119.914 0.028 0.000 2.384 311 V HA 0.427 4.547 4.120 0.001 0.000 0.287 311 V C 0.226 176.250 176.094 -0.116 0.000 1.020 311 V CA -0.530 61.736 62.300 -0.056 0.000 0.850 311 V CB 1.382 33.029 31.823 -0.294 0.000 0.987 311 V HN 0.836 nan 8.190 nan 0.000 0.436 312 S N 5.985 121.593 115.700 -0.154 0.000 2.439 312 S HA 0.407 4.878 4.470 0.001 0.000 0.282 312 S C 0.005 174.523 174.600 -0.135 0.000 1.170 312 S CA -0.650 57.283 58.200 -0.445 0.000 1.054 312 S CB 0.009 63.206 63.200 -0.006 0.000 0.956 312 S HN 0.497 nan 8.310 nan 0.000 0.490 313 I N 6.537 127.003 120.570 -0.173 0.000 2.261 313 I HA 0.341 4.512 4.170 0.001 0.000 0.285 313 I C 0.615 176.780 176.117 0.079 0.000 1.113 313 I CA 0.152 61.466 61.300 0.023 0.000 1.377 313 I CB -1.023 36.984 38.000 0.012 0.000 1.530 313 I HN 0.578 nan 8.210 nan 0.000 0.607 314 R N 1.192 121.798 120.500 0.176 0.000 2.854 314 R HA 0.496 4.837 4.340 0.001 0.000 0.271 314 R C 0.353 176.869 176.300 0.360 0.000 0.994 314 R CA -0.631 55.592 56.100 0.204 0.000 0.945 314 R CB 2.343 32.716 30.300 0.121 0.000 1.194 314 R HN 0.412 nan 8.270 nan 0.000 0.476 315 S N 0.476 116.329 115.700 0.255 0.000 2.587 315 S HA -0.035 4.436 4.470 0.001 0.000 0.260 315 S C 0.881 175.636 174.600 0.257 0.000 1.353 315 S CA -0.696 57.692 58.200 0.313 0.000 0.995 315 S CB 0.615 63.927 63.200 0.186 0.000 0.912 315 S HN 0.845 nan 8.310 nan 0.000 0.568 316 W N 1.488 122.819 121.300 0.052 0.000 2.409 316 W HA 0.029 4.690 4.660 0.001 0.000 0.299 316 W C -1.747 174.672 176.519 -0.167 0.000 1.203 316 W CA 1.035 58.211 57.345 -0.282 0.000 1.298 316 W CB -1.592 27.715 29.460 -0.255 0.000 1.127 316 W HN 0.567 nan 8.180 nan 0.000 0.528 317 P HA -0.157 nan 4.420 nan 0.000 0.220 317 P C 1.048 178.204 177.300 -0.241 0.000 1.148 317 P CA 2.124 65.107 63.100 -0.194 0.000 0.803 317 P CB -0.198 31.470 31.700 -0.053 0.000 0.782 318 E N -1.581 118.515 120.200 -0.175 0.000 2.072 318 E HA -0.143 4.208 4.350 0.001 0.000 0.190 318 E C 1.696 178.092 176.600 -0.340 0.000 0.982 318 E CA 0.698 56.963 56.400 -0.226 0.000 0.803 318 E CB -0.625 28.996 29.700 -0.131 0.000 0.755 318 E HN 0.178 nan 8.360 nan 0.000 0.453 319 F N 1.571 121.212 119.950 -0.515 0.000 2.216 319 F HA -0.120 4.408 4.527 0.001 0.000 0.300 319 F C 1.950 177.336 175.800 -0.691 0.000 1.085 319 F CA 1.222 58.840 58.000 -0.638 0.000 1.326 319 F CB 0.100 38.550 39.000 -0.916 0.000 1.027 319 F HN -0.002 nan 8.300 nan 0.000 0.497 320 I N -3.418 116.722 120.570 -0.716 0.000 3.968 320 I HA 0.454 4.624 4.170 0.001 0.000 0.328 320 I C 1.410 177.244 176.117 -0.472 0.000 1.290 320 I CA 0.717 61.592 61.300 -0.709 0.000 1.163 320 I CB -0.225 37.263 38.000 -0.855 0.000 1.024 320 I HN 0.144 nan 8.210 nan 0.000 0.413 321 G N 1.541 110.086 108.800 -0.424 0.000 2.132 321 G HA2 -0.264 3.697 3.960 0.001 0.000 0.234 321 G HA3 -0.264 3.697 3.960 0.001 0.000 0.234 321 G C 0.570 175.350 174.900 -0.200 0.000 0.989 321 G CA 0.524 45.446 45.100 -0.296 0.000 0.676 321 G HN 0.363 nan 8.290 nan 0.000 0.522 322 T N -0.630 113.800 114.554 -0.207 0.000 2.821 322 T HA 0.215 4.565 4.350 0.001 0.000 0.267 322 T C 1.177 175.818 174.700 -0.098 0.000 1.046 322 T CA 2.132 64.152 62.100 -0.133 0.000 1.139 322 T CB 0.114 68.908 68.868 -0.125 0.000 0.871 322 T HN 0.983 nan 8.240 nan 0.000 0.454 323 T N -0.371 114.114 114.554 -0.116 0.000 2.923 323 T HA 0.379 4.730 4.350 0.001 0.000 0.311 323 T C 1.082 175.732 174.700 -0.084 0.000 1.183 323 T CA -0.137 61.916 62.100 -0.079 0.000 1.020 323 T CB 1.735 70.556 68.868 -0.078 0.000 1.165 323 T HN 0.026 nan 8.240 nan 0.000 0.482 324 S N 1.981 117.675 115.700 -0.009 0.000 2.453 324 S HA 0.259 4.729 4.470 0.001 0.000 0.231 324 S C 1.872 176.516 174.600 0.072 0.000 1.005 324 S CA 1.364 59.607 58.200 0.071 0.000 0.949 324 S CB -0.545 62.795 63.200 0.233 0.000 0.774 324 S HN 2.120 nan 8.310 nan 0.000 0.510 325 G N -0.491 108.268 108.800 -0.069 0.000 2.217 325 G HA2 -0.215 3.746 3.960 0.001 0.000 0.246 325 G HA3 -0.215 3.746 3.960 0.001 0.000 0.246 325 G C -0.105 174.374 174.900 -0.701 0.000 0.990 325 G CA 0.281 45.186 45.100 -0.325 0.000 0.627 325 G HN 0.623 nan 8.290 nan 0.000 0.522 326 Y N -0.443 119.718 120.300 -0.231 0.000 2.504 326 Y HA 0.586 5.136 4.550 0.001 0.000 0.344 326 Y C 1.394 177.071 175.900 -0.373 0.000 1.023 326 Y CA -0.174 57.668 58.100 -0.431 0.000 1.020 326 Y CB 1.725 39.665 38.460 -0.867 0.000 1.282 326 Y HN -0.017 nan 8.280 nan 0.000 0.454 327 S N 0.665 116.270 115.700 -0.159 0.000 2.380 327 S HA -0.259 4.212 4.470 0.001 0.000 0.229 327 S C 1.192 175.793 174.600 0.000 0.000 1.043 327 S CA 2.301 60.474 58.200 -0.044 0.000 1.038 327 S CB -0.401 62.828 63.200 0.049 0.000 0.872 327 S HN 0.790 nan 8.310 nan 0.000 0.456 328 Y N -0.573 119.745 120.300 0.030 0.000 2.485 328 Y HA 0.596 5.146 4.550 0.001 0.000 0.260 328 Y C 0.136 176.050 175.900 0.025 0.000 1.173 328 Y CA -0.768 57.339 58.100 0.013 0.000 1.252 328 Y CB -0.333 38.108 38.460 -0.032 0.000 1.123 328 Y HN 0.024 nan 8.280 nan 0.000 0.524 329 I N 2.351 122.815 120.570 -0.178 0.000 2.359 329 I HA 0.232 4.403 4.170 0.001 0.000 0.284 329 I C 1.045 177.224 176.117 0.103 0.000 1.018 329 I CA -0.537 60.770 61.300 0.012 0.000 1.173 329 I CB 1.850 39.844 38.000 -0.010 0.000 1.326 329 I HN 0.122 nan 8.210 nan 0.000 0.462 330 K N 6.283 126.760 120.400 0.129 0.000 2.103 330 K HA 0.101 4.422 4.320 0.001 0.000 0.204 330 K C -1.431 175.264 176.600 0.159 0.000 1.052 330 K CA 0.553 56.910 56.287 0.116 0.000 0.945 330 K CB -0.391 32.164 32.500 0.092 0.000 0.722 330 K HN 0.347 nan 8.250 nan 0.000 0.443 331 P HA 0.140 nan 4.420 nan 0.000 0.278 331 P C -1.358 176.260 177.300 0.530 0.000 1.238 331 P CA 0.045 63.315 63.100 0.283 0.000 0.794 331 P CB 1.341 33.136 31.700 0.159 0.000 0.955 332 K N 1.093 121.750 120.400 0.428 0.000 2.318 332 K HA 0.776 5.097 4.320 0.001 0.000 0.249 332 K C -0.059 176.629 176.600 0.147 0.000 0.942 332 K CA -0.501 55.930 56.287 0.240 0.000 0.808 332 K CB 2.042 34.587 32.500 0.075 0.000 1.189 332 K HN 0.759 nan 8.250 nan 0.000 0.428 333 G N 1.093 109.705 108.800 -0.314 0.000 2.316 333 G HA2 0.044 4.005 3.960 0.001 0.000 0.349 333 G HA3 0.044 4.005 3.960 0.001 0.000 0.349 333 G C -1.794 172.431 174.900 -1.124 0.000 1.274 333 G CA -0.737 44.090 45.100 -0.455 0.000 1.018 333 G HN 0.502 nan 8.290 nan 0.000 0.486 334 E N -1.095 118.686 120.200 -0.699 0.000 2.393 334 E HA 0.694 5.045 4.350 0.001 0.000 0.273 334 E C 0.206 176.729 176.600 -0.129 0.000 0.918 334 E CA -0.974 55.056 56.400 -0.616 0.000 0.773 334 E CB 1.469 30.761 29.700 -0.680 0.000 1.275 334 E HN 0.669 nan 8.360 nan 0.000 0.451 335 I N 2.511 123.022 120.570 -0.098 0.000 2.845 335 I HA 0.039 4.209 4.170 0.001 0.000 0.290 335 I C 0.379 176.368 176.117 -0.213 0.000 1.202 335 I CA 0.195 61.237 61.300 -0.430 0.000 1.406 335 I CB 0.132 37.600 38.000 -0.886 0.000 1.383 335 I HN 0.515 nan 8.210 nan 0.000 0.549 336 A N 5.493 128.293 122.820 -0.034 0.000 2.524 336 A HA 0.421 4.741 4.320 0.001 0.000 0.250 336 A C 1.341 178.959 177.584 0.057 0.000 1.078 336 A CA 0.529 52.602 52.037 0.060 0.000 0.761 336 A CB -0.078 19.028 19.000 0.176 0.000 1.012 336 A HN 1.211 nan 8.150 nan 0.000 0.500 337 G N 1.251 110.108 108.800 0.095 0.000 2.225 337 G HA2 0.105 4.065 3.960 0.001 0.000 0.254 337 G HA3 0.105 4.065 3.960 0.001 0.000 0.254 337 G C 0.721 175.620 174.900 -0.001 0.000 0.988 337 G CA 0.428 45.546 45.100 0.031 0.000 0.625 337 G HN 2.282 nan 8.290 nan 0.000 0.527 338 A N 0.546 123.377 122.820 0.019 0.000 2.565 338 A HA 0.549 4.870 4.320 0.001 0.000 0.237 338 A C 0.797 178.552 177.584 0.285 0.000 1.053 338 A CA 0.718 52.845 52.037 0.150 0.000 0.755 338 A CB 0.097 19.252 19.000 0.258 0.000 0.980 338 A HN 0.588 nan 8.150 nan 0.000 0.506 339 R N 1.073 121.715 120.500 0.237 0.000 2.349 339 R HA 0.184 4.525 4.340 0.001 0.000 0.299 339 R C -0.845 175.413 176.300 -0.069 0.000 1.027 339 R CA -0.376 55.884 56.100 0.267 0.000 0.958 339 R CB 0.994 31.487 30.300 0.321 0.000 1.047 339 R HN 0.794 nan 8.270 nan 0.000 0.468 340 W N 2.967 123.614 121.300 -1.088 0.000 2.356 340 W HA 0.211 4.872 4.660 0.001 0.000 0.311 340 W C 0.579 176.608 176.519 -0.816 0.000 1.328 340 W CA -0.680 55.835 57.345 -1.383 0.000 1.251 340 W CB 0.947 28.873 29.460 -2.555 0.000 1.280 340 W HN 0.792 nan 8.180 nan 0.000 0.524 341 G N 3.366 111.884 108.800 -0.471 0.000 3.189 341 G HA2 0.154 4.115 3.960 0.001 0.000 0.225 341 G HA3 0.154 4.115 3.960 0.001 0.000 0.225 341 G C -0.414 174.491 174.900 0.008 0.000 1.159 341 G CA 0.047 45.091 45.100 -0.093 0.000 0.763 341 G HN 0.749 nan 8.290 nan 0.000 0.549 342 H N -2.636 115.728 119.070 -1.175 0.000 4.576 342 H HA -0.001 4.556 4.556 0.001 0.000 0.248 342 H C 0.789 176.041 175.328 -0.127 0.000 0.567 342 H CA 1.042 56.410 56.048 -1.133 0.000 0.781 342 H CB -0.772 28.429 29.762 -0.935 0.000 0.961 342 H HN 0.665 nan 8.280 nan 0.000 0.393 343 A N -0.741 122.175 122.820 0.160 0.000 1.950 343 A HA 0.688 5.009 4.320 0.001 0.000 0.132 343 A C 0.574 178.285 177.584 0.211 0.000 1.544 343 A CA 0.996 53.223 52.037 0.317 0.000 2.723 343 A CB -0.038 19.118 19.000 0.260 0.000 2.842 343 A HN 1.556 nan 8.150 nan 0.000 1.249 344 G N -1.291 107.624 108.800 0.192 0.000 2.554 344 G HA2 0.535 4.496 3.960 0.001 0.000 0.306 344 G HA3 0.535 4.496 3.960 0.001 0.000 0.306 344 G C 0.629 175.622 174.900 0.156 0.000 1.320 344 G CA 1.133 46.319 45.100 0.143 0.000 0.800 344 G HN 1.285 nan 8.290 nan 0.000 0.481 345 S N -0.990 114.770 115.700 0.100 0.000 2.436 345 S HA 0.200 4.670 4.470 0.001 0.000 0.228 345 S C 0.650 175.289 174.600 0.063 0.000 1.014 345 S CA 1.811 60.045 58.200 0.057 0.000 0.950 345 S CB -0.332 62.836 63.200 -0.053 0.000 0.784 345 S HN 0.997 nan 8.310 nan 0.000 0.504 346 D N 0.075 120.530 120.400 0.092 0.000 3.103 346 D HA 0.271 4.911 4.640 0.001 0.000 0.337 346 D C 0.623 176.964 176.300 0.070 0.000 1.356 346 D CA -0.023 54.013 54.000 0.059 0.000 0.951 346 D CB 0.275 41.093 40.800 0.030 0.000 1.438 346 D HN 0.050 nan 8.370 nan 0.000 0.562 347 S N -1.817 113.853 115.700 -0.050 0.000 2.522 347 S HA 0.006 4.477 4.470 0.001 0.000 0.227 347 S C 1.199 175.798 174.600 -0.002 0.000 0.986 347 S CA 1.161 59.288 58.200 -0.122 0.000 0.929 347 S CB -0.998 61.867 63.200 -0.558 0.000 0.769 347 S HN 0.711 nan 8.310 nan 0.000 0.529 348 T N -1.296 113.283 114.554 0.041 0.000 3.134 348 T HA 0.334 4.685 4.350 0.001 0.000 0.260 348 T C 0.052 174.576 174.700 -0.292 0.000 1.027 348 T CA -0.525 61.577 62.100 0.003 0.000 0.913 348 T CB -0.240 68.580 68.868 -0.080 0.000 1.046 348 T HN 0.474 nan 8.240 nan 0.000 0.553 349 H N 0.610 119.685 119.070 0.009 0.000 2.768 349 H HA 0.463 5.020 4.556 0.001 0.000 0.371 349 H C -0.337 174.973 175.328 -0.031 0.000 1.151 349 H CA -1.005 55.026 56.048 -0.027 0.000 1.165 349 H CB 1.953 31.713 29.762 -0.003 0.000 1.722 349 H HN 0.079 nan 8.280 nan 0.000 0.543 350 M N 2.352 121.954 119.600 0.004 0.000 3.004 350 M HA 0.111 4.592 4.480 0.001 0.000 0.365 350 M C 0.545 176.669 176.300 -0.294 0.000 1.317 350 M CA -0.144 55.078 55.300 -0.130 0.000 0.821 350 M CB 0.188 32.630 32.600 -0.263 0.000 1.387 350 M HN 0.587 nan 8.290 nan 0.000 0.501 351 E N 0.949 121.099 120.200 -0.084 0.000 2.130 351 E HA -0.197 4.154 4.350 0.001 0.000 0.196 351 E C 0.962 177.465 176.600 -0.161 0.000 0.998 351 E CA 1.543 57.891 56.400 -0.085 0.000 0.806 351 E CB 0.019 29.704 29.700 -0.025 0.000 0.738 351 E HN 0.425 nan 8.360 nan 0.000 0.459 352 D N -0.747 119.546 120.400 -0.178 0.000 2.392 352 D HA -0.102 4.539 4.640 0.001 0.000 0.228 352 D C 0.477 176.375 176.300 -0.671 0.000 1.003 352 D CA 0.708 54.464 54.000 -0.407 0.000 0.917 352 D CB -0.023 40.468 40.800 -0.514 0.000 0.890 352 D HN 0.256 nan 8.370 nan 0.000 0.532 353 F N -0.662 119.121 119.950 -0.278 0.000 2.706 353 F HA 0.205 4.732 4.527 0.001 0.000 0.313 353 F C 0.567 176.314 175.800 -0.087 0.000 1.096 353 F CA -0.290 57.588 58.000 -0.203 0.000 1.219 353 F CB 0.432 39.406 39.000 -0.043 0.000 1.051 353 F HN -0.115 nan 8.300 nan 0.000 0.568 354 H N -0.548 118.500 119.070 -0.037 0.000 2.495 354 H HA 0.291 4.848 4.556 0.001 0.000 0.348 354 H C -0.279 174.890 175.328 -0.264 0.000 1.113 354 H CA -1.133 54.847 56.048 -0.114 0.000 1.195 354 H CB 1.043 30.771 29.762 -0.056 0.000 1.521 354 H HN 0.017 nan 8.280 nan 0.000 0.509 355 N N 3.052 121.578 118.700 -0.290 0.000 2.297 355 N HA -0.065 4.676 4.740 0.001 0.000 0.232 355 N C -1.613 173.548 175.510 -0.582 0.000 1.311 355 N CA -1.046 51.571 53.050 -0.722 0.000 0.897 355 N CB 0.444 38.185 38.487 -1.243 0.000 1.137 355 N HN 0.473 nan 8.380 nan 0.000 0.449 356 P HA -0.112 nan 4.420 nan 0.000 0.225 356 P C -0.090 177.051 177.300 -0.265 0.000 1.148 356 P CA 1.079 63.957 63.100 -0.368 0.000 0.779 356 P CB 0.062 31.604 31.700 -0.264 0.000 0.780 357 D N -2.594 117.591 120.400 -0.358 0.000 2.349 357 D HA 0.142 4.783 4.640 0.001 0.000 0.214 357 D C 1.397 177.602 176.300 -0.158 0.000 1.063 357 D CA 0.343 54.251 54.000 -0.153 0.000 0.847 357 D CB -0.706 40.088 40.800 -0.011 0.000 0.933 357 D HN 0.158 nan 8.370 nan 0.000 0.513 358 G N 0.321 108.982 108.800 -0.232 0.000 2.175 358 G HA2 -0.276 3.685 3.960 0.001 0.000 0.244 358 G HA3 -0.276 3.685 3.960 0.001 0.000 0.244 358 G C 0.547 175.226 174.900 -0.368 0.000 0.982 358 G CA 0.504 45.414 45.100 -0.317 0.000 0.641 358 G HN 0.764 nan 8.290 nan 0.000 0.527 359 T N -1.696 112.727 114.554 -0.218 0.000 2.816 359 T HA 0.608 4.959 4.350 0.001 0.000 0.282 359 T C 0.951 175.574 174.700 -0.128 0.000 0.993 359 T CA 0.006 62.032 62.100 -0.123 0.000 0.994 359 T CB 1.324 70.174 68.868 -0.030 0.000 1.025 359 T HN 0.562 nan 8.240 nan 0.000 0.529 360 M N 2.049 121.568 119.600 -0.136 0.000 2.327 360 M HA 0.077 4.557 4.480 0.001 0.000 0.353 360 M C 0.671 176.847 176.300 -0.207 0.000 1.539 360 M CA -0.042 55.062 55.300 -0.328 0.000 1.039 360 M CB 0.126 32.340 32.600 -0.644 0.000 1.967 360 M HN 0.634 nan 8.290 nan 0.000 0.459 361 R N 2.412 122.793 120.500 -0.199 0.000 2.873 361 R HA 0.004 4.345 4.340 0.001 0.000 0.267 361 R C 0.492 176.725 176.300 -0.112 0.000 1.009 361 R CA 0.401 56.400 56.100 -0.167 0.000 1.152 361 R CB 0.181 30.355 30.300 -0.211 0.000 1.047 361 R HN 0.834 nan 8.270 nan 0.000 0.470 362 S N 0.993 116.677 115.700 -0.027 0.000 2.552 362 S HA 0.016 4.487 4.470 0.001 0.000 0.289 362 S C 1.392 176.001 174.600 0.014 0.000 1.304 362 S CA -0.125 58.120 58.200 0.075 0.000 1.063 362 S CB 1.481 64.759 63.200 0.131 0.000 0.848 362 S HN 0.684 nan 8.310 nan 0.000 0.499 363 A N 3.089 125.953 122.820 0.074 0.000 1.927 363 A HA -0.202 4.119 4.320 0.001 0.000 0.220 363 A C 1.856 179.470 177.584 0.049 0.000 1.185 363 A CA 2.157 54.222 52.037 0.047 0.000 0.639 363 A CB -1.158 17.916 19.000 0.124 0.000 0.820 363 A HN 0.915 nan 8.150 nan 0.000 0.451 364 D N -0.027 120.433 120.400 0.099 0.000 2.117 364 D HA -0.117 4.524 4.640 0.001 0.000 0.197 364 D C 1.431 177.733 176.300 0.004 0.000 0.987 364 D CA 1.520 55.571 54.000 0.084 0.000 0.829 364 D CB -0.413 40.457 40.800 0.116 0.000 0.961 364 D HN 0.438 nan 8.370 nan 0.000 0.460 365 D N 0.051 120.426 120.400 -0.041 0.000 2.117 365 D HA -0.036 4.604 4.640 0.001 0.000 0.198 365 D C 2.303 178.438 176.300 -0.275 0.000 0.982 365 D CA 0.311 54.224 54.000 -0.145 0.000 0.828 365 D CB -0.181 40.542 40.800 -0.129 0.000 0.967 365 D HN 0.269 nan 8.370 nan 0.000 0.464 366 I N 0.777 121.142 120.570 -0.341 0.000 2.252 366 I HA -0.217 3.954 4.170 0.001 0.000 0.245 366 I C 2.156 177.973 176.117 -0.501 0.000 1.102 366 I CA 1.012 61.936 61.300 -0.626 0.000 1.385 366 I CB -0.397 37.196 38.000 -0.677 0.000 1.064 366 I HN -0.025 nan 8.210 nan 0.000 0.414 367 T N 0.845 115.319 114.554 -0.134 0.000 2.746 367 T HA -0.123 4.228 4.350 0.001 0.000 0.267 367 T C 2.021 176.826 174.700 0.175 0.000 1.039 367 T CA 1.496 63.706 62.100 0.183 0.000 1.142 367 T CB -0.200 68.822 68.868 0.256 0.000 0.866 367 T HN 0.479 nan 8.240 nan 0.000 0.444 368 A N 1.068 123.908 122.820 0.033 0.000 1.929 368 A HA 0.117 4.438 4.320 0.001 0.000 0.216 368 A C 2.272 179.876 177.584 0.034 0.000 1.176 368 A CA 1.304 53.360 52.037 0.032 0.000 0.628 368 A CB -0.615 18.360 19.000 -0.042 0.000 0.816 368 A HN 0.502 nan 8.150 nan 0.000 0.444 369 M N -1.620 117.929 119.600 -0.086 0.000 2.159 369 M HA -0.150 4.330 4.480 0.001 0.000 0.263 369 M C 1.816 178.271 176.300 0.258 0.000 1.063 369 M CA 1.678 56.915 55.300 -0.104 0.000 1.110 369 M CB -0.145 32.180 32.600 -0.458 0.000 1.374 369 M HN 0.580 nan 8.290 nan 0.000 0.411 370 W N 0.703 122.079 121.300 0.127 0.000 2.481 370 W HA 0.031 4.691 4.660 0.001 0.000 0.293 370 W C 2.393 179.093 176.519 0.303 0.000 1.201 370 W CA 0.800 58.292 57.345 0.245 0.000 1.328 370 W CB -1.026 28.605 29.460 0.284 0.000 1.112 370 W HN 0.270 nan 8.180 nan 0.000 0.546 371 K N 0.641 121.337 120.400 0.493 0.000 2.074 371 K HA -0.194 4.127 4.320 0.001 0.000 0.209 371 K C 2.009 178.765 176.600 0.260 0.000 1.048 371 K CA 1.968 58.456 56.287 0.334 0.000 0.926 371 K CB -0.288 32.355 32.500 0.239 0.000 0.713 371 K HN -0.030 nan 8.250 nan 0.000 0.444 372 A N -0.362 122.607 122.820 0.248 0.000 2.070 372 A HA -0.138 4.183 4.320 0.001 0.000 0.220 372 A C 1.181 178.828 177.584 0.105 0.000 1.159 372 A CA 0.960 53.085 52.037 0.146 0.000 0.656 372 A CB -0.601 18.477 19.000 0.131 0.000 0.800 372 A HN 0.561 nan 8.150 nan 0.000 0.453 373 W N -0.744 120.669 121.300 0.188 0.000 3.330 373 W HA 0.268 4.929 4.660 0.001 0.000 0.348 373 W C 0.783 177.398 176.519 0.161 0.000 1.205 373 W CA 0.187 57.644 57.345 0.186 0.000 1.841 373 W CB 0.122 29.707 29.460 0.210 0.000 1.084 373 W HN 0.504 nan 8.180 nan 0.000 0.665 374 N N 0.753 119.626 118.700 0.289 0.000 2.776 374 N HA -0.217 4.523 4.740 0.001 0.000 0.249 374 N C -0.821 174.825 175.510 0.226 0.000 1.111 374 N CA 0.700 53.877 53.050 0.213 0.000 0.711 374 N CB -1.617 36.966 38.487 0.161 0.000 1.065 374 N HN 0.151 nan 8.380 nan 0.000 0.556 375 I N 0.605 121.352 120.570 0.295 0.000 2.312 375 I HA 0.278 4.449 4.170 0.001 0.000 0.290 375 I C 0.306 176.663 176.117 0.399 0.000 1.008 375 I CA -0.286 61.177 61.300 0.272 0.000 1.226 375 I CB 1.133 39.241 38.000 0.181 0.000 1.371 375 I HN -0.024 nan 8.210 nan 0.000 0.468 376 K N 7.439 127.963 120.400 0.206 0.000 2.469 376 K HA 0.386 4.706 4.320 0.001 0.000 0.254 376 K C -2.022 174.200 176.600 -0.630 0.000 0.939 376 K CA -1.463 54.786 56.287 -0.064 0.000 0.812 376 K CB 2.523 35.009 32.500 -0.022 0.000 1.301 376 K HN 0.146 nan 8.250 nan 0.000 0.433 377 P HA -0.157 nan 4.420 nan 0.000 0.222 377 P C -0.014 176.925 177.300 -0.602 0.000 1.147 377 P CA 1.309 63.474 63.100 -1.560 0.000 0.790 377 P CB 0.316 31.148 31.700 -1.448 0.000 0.780 378 E N -0.568 119.424 120.200 -0.347 0.000 2.482 378 E HA -0.033 4.317 4.350 0.001 0.000 0.196 378 E C 0.844 177.379 176.600 -0.108 0.000 1.047 378 E CA 0.370 56.667 56.400 -0.172 0.000 0.869 378 E CB -0.697 28.940 29.700 -0.105 0.000 0.836 378 E HN 0.470 nan 8.360 nan 0.000 0.520 379 Q N 1.138 120.868 119.800 -0.115 0.000 2.312 379 Q HA 0.177 4.518 4.340 0.001 0.000 0.236 379 Q C -0.136 175.857 176.000 -0.011 0.000 0.965 379 Q CA -0.592 55.186 55.803 -0.042 0.000 0.894 379 Q CB 0.716 29.442 28.738 -0.020 0.000 1.225 379 Q HN 0.107 nan 8.270 nan 0.000 0.478 380 Q N 1.286 121.091 119.800 0.009 0.000 2.281 380 Q HA 0.182 4.523 4.340 0.001 0.000 0.267 380 Q C -0.913 175.090 176.000 0.006 0.000 1.053 380 Q CA 0.153 55.972 55.803 0.027 0.000 0.905 380 Q CB 0.485 29.239 28.738 0.028 0.000 1.195 380 Q HN 0.279 nan 8.270 nan 0.000 0.398 381 V N 1.792 121.709 119.914 0.004 0.000 2.531 381 V HA 0.447 4.568 4.120 0.001 0.000 0.301 381 V C -0.247 175.721 176.094 -0.211 0.000 1.034 381 V CA -0.606 61.618 62.300 -0.126 0.000 0.865 381 V CB 2.044 33.816 31.823 -0.084 0.000 0.995 381 V HN 0.716 nan 8.190 nan 0.000 0.424 382 S N 4.110 119.644 115.700 -0.277 0.000 2.557 382 S HA 0.813 5.283 4.470 0.001 0.000 0.291 382 S C -1.188 173.277 174.600 -0.225 0.000 1.116 382 S CA -0.374 57.744 58.200 -0.136 0.000 0.992 382 S CB 0.751 63.991 63.200 0.066 0.000 1.028 382 S HN 0.373 nan 8.310 nan 0.000 0.484 383 F N 4.730 124.791 119.950 0.186 0.000 2.422 383 F HA 0.639 5.167 4.527 0.001 0.000 0.333 383 F C 0.145 176.088 175.800 0.240 0.000 1.095 383 F CA -0.540 57.533 58.000 0.122 0.000 1.038 383 F CB 1.089 40.118 39.000 0.048 0.000 1.156 383 F HN 0.670 nan 8.300 nan 0.000 0.483 384 Y N 0.495 120.964 120.300 0.281 0.000 2.689 384 Y HA 0.733 5.283 4.550 0.001 0.000 0.333 384 Y C -0.539 175.477 175.900 0.192 0.000 1.190 384 Y CA -1.671 56.548 58.100 0.198 0.000 1.063 384 Y CB 1.043 39.631 38.460 0.213 0.000 1.294 384 Y HN 0.816 nan 8.280 nan 0.000 0.466 385 C N -1.486 117.934 119.300 0.200 0.000 3.924 385 C HA 0.833 5.294 4.460 0.001 0.000 0.297 385 C C 1.675 176.866 174.990 0.334 0.000 5.311 385 C CA 0.245 59.351 59.018 0.148 0.000 1.550 385 C CB 1.051 28.879 27.740 0.147 0.000 6.086 385 C HN 1.233 nan 8.230 nan 0.000 0.470 386 G N 0.589 109.547 108.800 0.264 0.000 2.499 386 G HA2 0.258 4.218 3.960 0.001 0.000 0.213 386 G HA3 0.258 4.218 3.960 0.001 0.000 0.213 386 G C 1.326 176.226 174.900 -0.001 0.000 1.230 386 G CA 2.468 47.610 45.100 0.069 0.000 0.813 386 G HN 1.486 nan 8.290 nan 0.000 0.542 387 T N -4.337 110.211 114.554 -0.011 0.000 3.058 387 T HA 0.478 4.829 4.350 0.001 0.000 0.278 387 T C 1.369 176.159 174.700 0.150 0.000 0.974 387 T CA 0.832 62.980 62.100 0.080 0.000 0.893 387 T CB 0.930 69.843 68.868 0.075 0.000 1.138 387 T HN 1.525 nan 8.240 nan 0.000 0.529 388 G N 0.094 108.996 108.800 0.170 0.000 2.296 388 G HA2 -0.165 3.796 3.960 0.001 0.000 0.188 388 G HA3 -0.165 3.796 3.960 0.001 0.000 0.188 388 G C 0.631 175.672 174.900 0.236 0.000 1.000 388 G CA 0.003 45.213 45.100 0.183 0.000 0.672 388 G HN 0.317 nan 8.290 nan 0.000 0.483 389 W N 1.248 122.502 121.300 -0.077 0.000 2.378 389 W HA 0.204 4.865 4.660 0.001 0.000 0.313 389 W C 2.693 179.189 176.519 -0.038 0.000 1.197 389 W CA 1.686 58.931 57.345 -0.167 0.000 1.304 389 W CB -0.790 28.378 29.460 -0.486 0.000 1.148 389 W HN 0.259 nan 8.180 nan 0.000 0.494 390 R N 0.026 120.713 120.500 0.311 0.000 2.103 390 R HA -0.161 4.180 4.340 0.001 0.000 0.242 390 R C 2.294 178.615 176.300 0.035 0.000 1.142 390 R CA 1.892 58.144 56.100 0.253 0.000 0.960 390 R CB -1.028 29.407 30.300 0.226 0.000 0.858 390 R HN 0.147 nan 8.270 nan 0.000 0.439 391 A N 0.408 123.261 122.820 0.056 0.000 1.933 391 A HA -0.134 4.187 4.320 0.001 0.000 0.218 391 A C 2.198 179.759 177.584 -0.039 0.000 1.175 391 A CA 1.633 53.682 52.037 0.020 0.000 0.628 391 A CB -0.353 18.748 19.000 0.168 0.000 0.814 391 A HN 0.236 nan 8.150 nan 0.000 0.444 392 S N -0.644 115.047 115.700 -0.016 0.000 2.368 392 S HA -0.195 4.276 4.470 0.001 0.000 0.225 392 S C 1.938 176.473 174.600 -0.108 0.000 1.030 392 S CA 1.450 59.616 58.200 -0.057 0.000 0.999 392 S CB -0.281 62.853 63.200 -0.109 0.000 0.844 392 S HN 0.769 nan 8.310 nan 0.000 0.459 393 E N 0.737 120.828 120.200 -0.182 0.000 2.038 393 E HA -0.209 4.142 4.350 0.001 0.000 0.195 393 E C 2.169 178.289 176.600 -0.800 0.000 1.000 393 E CA 1.885 58.032 56.400 -0.422 0.000 0.803 393 E CB -0.259 29.275 29.700 -0.278 0.000 0.750 393 E HN 0.703 nan 8.360 nan 0.000 0.448 394 T N -1.249 112.859 114.554 -0.743 0.000 2.867 394 T HA -0.174 4.177 4.350 0.001 0.000 0.268 394 T C 1.762 175.971 174.700 -0.818 0.000 1.057 394 T CA 1.004 62.579 62.100 -0.876 0.000 1.136 394 T CB -0.683 67.566 68.868 -1.032 0.000 0.874 394 T HN 0.304 nan 8.240 nan 0.000 0.466 395 F N 2.016 121.486 119.950 -0.800 0.000 2.091 395 F HA -0.094 4.433 4.527 0.001 0.000 0.299 395 F C 2.254 177.954 175.800 -0.167 0.000 1.103 395 F CA 1.553 59.347 58.000 -0.343 0.000 1.228 395 F CB -0.328 38.638 39.000 -0.057 0.000 0.984 395 F HN -0.002 nan 8.300 nan 0.000 0.477 396 M N -0.750 118.815 119.600 -0.058 0.000 2.175 396 M HA -0.192 4.288 4.480 0.001 0.000 0.264 396 M C 2.116 178.394 176.300 -0.036 0.000 1.063 396 M CA 1.357 56.630 55.300 -0.045 0.000 1.119 396 M CB -1.456 31.146 32.600 0.003 0.000 1.377 396 M HN 0.239 nan 8.290 nan 0.000 0.415 397 Y N 0.617 120.847 120.300 -0.117 0.000 2.114 397 Y HA -0.083 4.468 4.550 0.001 0.000 0.284 397 Y C 2.753 178.571 175.900 -0.135 0.000 1.143 397 Y CA 1.084 59.123 58.100 -0.102 0.000 1.135 397 Y CB -1.757 36.635 38.460 -0.115 0.000 0.980 397 Y HN 0.252 nan 8.280 nan 0.000 0.499 398 A N 0.197 122.991 122.820 -0.044 0.000 1.940 398 A HA -0.240 4.081 4.320 0.001 0.000 0.219 398 A C 2.432 179.985 177.584 -0.053 0.000 1.176 398 A CA 1.857 53.805 52.037 -0.148 0.000 0.631 398 A CB -0.809 18.154 19.000 -0.062 0.000 0.814 398 A HN 0.425 nan 8.150 nan 0.000 0.446 399 R N -0.376 120.011 120.500 -0.189 0.000 2.083 399 R HA -0.143 4.198 4.340 0.001 0.000 0.237 399 R C 2.183 178.497 176.300 0.024 0.000 1.137 399 R CA 1.624 57.630 56.100 -0.156 0.000 0.951 399 R CB -0.388 29.733 30.300 -0.299 0.000 0.851 399 R HN 0.441 nan 8.270 nan 0.000 0.434 400 A N 0.197 123.054 122.820 0.062 0.000 2.066 400 A HA -0.045 4.275 4.320 0.001 0.000 0.218 400 A C 1.976 179.675 177.584 0.191 0.000 1.157 400 A CA 0.952 53.074 52.037 0.141 0.000 0.670 400 A CB -0.213 18.872 19.000 0.142 0.000 0.804 400 A HN 0.357 nan 8.150 nan 0.000 0.453 401 M N -1.148 118.559 119.600 0.179 0.000 2.619 401 M HA 0.123 4.604 4.480 0.001 0.000 0.251 401 M C 1.355 177.891 176.300 0.392 0.000 1.106 401 M CA 0.910 56.358 55.300 0.246 0.000 1.086 401 M CB 0.135 32.838 32.600 0.171 0.000 1.465 401 M HN 0.608 nan 8.290 nan 0.000 0.506 402 G N -0.589 108.444 108.800 0.388 0.000 2.141 402 G HA2 -0.202 3.759 3.960 0.001 0.000 0.242 402 G HA3 -0.202 3.759 3.960 0.001 0.000 0.242 402 G C -0.611 174.537 174.900 0.414 0.000 0.982 402 G CA -0.631 44.706 45.100 0.395 0.000 0.662 402 G HN 0.433 nan 8.290 nan 0.000 0.527 403 W N 1.427 122.805 121.300 0.131 0.000 2.489 403 W HA 0.505 5.166 4.660 0.002 0.000 0.327 403 W C 1.419 177.984 176.519 0.076 0.000 1.436 403 W CA -0.146 57.273 57.345 0.123 0.000 1.315 403 W CB 0.396 29.963 29.460 0.178 0.000 1.373 403 W HN 0.132 nan 8.180 nan 0.000 0.557 404 K N 1.962 122.478 120.400 0.193 0.000 2.305 404 K HA 0.006 4.327 4.320 0.001 0.000 0.199 404 K C 0.127 176.810 176.600 0.138 0.000 1.047 404 K CA 0.674 57.043 56.287 0.137 0.000 0.976 404 K CB 0.192 32.744 32.500 0.085 0.000 0.765 404 K HN 0.363 nan 8.250 nan 0.000 0.474 405 N N 1.518 120.311 118.700 0.154 0.000 2.918 405 N HA 0.103 4.843 4.740 0.001 0.000 0.270 405 N C -0.821 174.803 175.510 0.191 0.000 1.536 405 N CA -0.113 53.023 53.050 0.144 0.000 0.877 405 N CB 1.557 40.097 38.487 0.089 0.000 1.190 405 N HN -0.109 nan 8.380 nan 0.000 0.492 406 V N -1.423 118.640 119.914 0.248 0.000 2.960 406 V HA 0.960 5.080 4.120 0.001 0.000 0.315 406 V C 0.111 176.521 176.094 0.526 0.000 1.087 406 V CA -0.761 61.736 62.300 0.329 0.000 0.982 406 V CB 1.839 33.852 31.823 0.316 0.000 1.039 406 V HN 0.453 nan 8.190 nan 0.000 0.437 407 S N 1.113 117.164 115.700 0.586 0.000 2.636 407 S HA 0.803 5.274 4.470 0.001 0.000 0.268 407 S C -1.349 173.500 174.600 0.414 0.000 1.159 407 S CA -0.659 57.826 58.200 0.475 0.000 0.815 407 S CB 1.505 64.864 63.200 0.264 0.000 1.130 407 S HN 1.364 nan 8.310 nan 0.000 0.471 408 V N 2.200 122.217 119.914 0.173 0.000 2.495 408 V HA 0.483 4.604 4.120 0.001 0.000 0.298 408 V C -1.336 174.886 176.094 0.214 0.000 1.031 408 V CA -0.654 61.758 62.300 0.187 0.000 0.871 408 V CB 1.489 33.316 31.823 0.006 0.000 0.988 408 V HN 0.894 nan 8.190 nan 0.000 0.432 409 Y N 3.891 124.289 120.300 0.162 0.000 2.600 409 Y HA 0.268 4.819 4.550 0.001 0.000 0.351 409 Y C 1.157 177.145 175.900 0.147 0.000 1.042 409 Y CA -0.904 57.276 58.100 0.132 0.000 1.333 409 Y CB 0.239 38.773 38.460 0.123 0.000 1.172 409 Y HN 0.809 nan 8.280 nan 0.000 0.517 410 D N 3.841 124.190 120.400 -0.085 0.000 2.103 410 D HA -0.210 4.431 4.640 0.001 0.000 0.190 410 D C 2.205 178.324 176.300 -0.301 0.000 0.997 410 D CA 2.218 56.131 54.000 -0.144 0.000 0.833 410 D CB -0.347 40.414 40.800 -0.065 0.000 0.961 410 D HN 0.851 nan 8.370 nan 0.000 0.447 411 G N -0.484 108.034 108.800 -0.470 0.000 2.469 411 G HA2 -0.032 3.929 3.960 0.001 0.000 0.220 411 G HA3 -0.032 3.929 3.960 0.001 0.000 0.220 411 G C 1.083 175.753 174.900 -0.384 0.000 1.136 411 G CA 1.519 46.407 45.100 -0.355 0.000 0.759 411 G HN 0.774 nan 8.290 nan 0.000 0.562 412 G N -0.762 107.477 108.800 -0.935 0.000 2.578 412 G HA2 -0.371 3.590 3.960 0.001 0.000 0.275 412 G HA3 -0.371 3.590 3.960 0.001 0.000 0.275 412 G C 0.922 175.938 174.900 0.194 0.000 1.271 412 G CA 0.459 45.462 45.100 -0.162 0.000 0.941 412 G HN 0.584 nan 8.290 nan 0.000 0.564 413 W N -0.738 120.697 121.300 0.224 0.000 2.402 413 W HA -0.076 4.584 4.660 0.001 0.000 0.286 413 W C 2.097 178.779 176.519 0.272 0.000 1.221 413 W CA 2.066 59.562 57.345 0.251 0.000 1.257 413 W CB -0.229 29.383 29.460 0.252 0.000 1.120 413 W HN 0.569 nan 8.180 nan 0.000 0.551 414 Y N 1.852 122.154 120.300 0.002 0.000 2.128 414 Y HA -0.262 4.288 4.550 0.001 0.000 0.284 414 Y C 2.604 178.430 175.900 -0.122 0.000 1.154 414 Y CA 2.468 60.505 58.100 -0.104 0.000 1.149 414 Y CB -1.031 37.428 38.460 -0.001 0.000 0.976 414 Y HN 0.117 nan 8.280 nan 0.000 0.505 415 E N -0.814 119.351 120.200 -0.058 0.000 2.046 415 E HA -0.224 4.127 4.350 0.001 0.000 0.190 415 E C 2.363 178.932 176.600 -0.051 0.000 0.982 415 E CA 0.933 57.263 56.400 -0.117 0.000 0.800 415 E CB -0.717 28.972 29.700 -0.019 0.000 0.756 415 E HN 0.628 nan 8.360 nan 0.000 0.449 416 W N 1.922 123.145 121.300 -0.128 0.000 2.315 416 W HA -0.235 4.426 4.660 0.001 0.000 0.323 416 W C 2.283 178.580 176.519 -0.371 0.000 1.233 416 W CA 2.481 59.726 57.345 -0.166 0.000 1.267 416 W CB -0.549 28.876 29.460 -0.059 0.000 1.160 416 W HN 0.199 nan 8.180 nan 0.000 0.474 417 S N -0.439 114.969 115.700 -0.486 0.000 2.603 417 S HA -0.068 4.402 4.470 0.001 0.000 0.229 417 S C 1.689 176.059 174.600 -0.383 0.000 0.972 417 S CA 1.017 58.814 58.200 -0.672 0.000 0.935 417 S CB -0.142 62.218 63.200 -1.400 0.000 0.769 417 S HN 0.107 nan 8.310 nan 0.000 0.536 418 S N 1.684 117.192 115.700 -0.319 0.000 2.382 418 S HA -0.055 4.416 4.470 0.001 0.000 0.228 418 S C 0.637 175.103 174.600 -0.223 0.000 1.027 418 S CA 1.187 59.241 58.200 -0.244 0.000 0.991 418 S CB -0.397 62.650 63.200 -0.256 0.000 0.823 418 S HN 0.708 nan 8.310 nan 0.000 0.469 419 D N 0.618 120.851 120.400 -0.277 0.000 2.396 419 D HA 0.277 4.917 4.640 0.001 0.000 0.225 419 D C -2.111 174.041 176.300 -0.247 0.000 1.121 419 D CA -2.509 51.335 54.000 -0.260 0.000 0.853 419 D CB 1.390 42.004 40.800 -0.311 0.000 1.043 419 D HN -0.002 nan 8.370 nan 0.000 0.500 420 P HA -0.070 nan 4.420 nan 0.000 0.228 420 P C 0.938 178.178 177.300 -0.099 0.000 1.151 420 P CA 0.720 63.756 63.100 -0.106 0.000 0.770 420 P CB 0.298 31.957 31.700 -0.068 0.000 0.786 421 K N -0.631 119.686 120.400 -0.139 0.000 2.288 421 K HA -0.008 4.313 4.320 0.001 0.000 0.201 421 K C 0.450 176.951 176.600 -0.166 0.000 1.048 421 K CA 0.338 56.546 56.287 -0.132 0.000 0.956 421 K CB -0.437 31.979 32.500 -0.141 0.000 0.746 421 K HN 0.318 nan 8.250 nan 0.000 0.461 422 N N 2.472 120.993 118.700 -0.297 0.000 2.483 422 N HA 0.022 4.763 4.740 0.001 0.000 0.264 422 N C -2.580 172.942 175.510 0.020 0.000 1.197 422 N CA -1.058 51.745 53.050 -0.412 0.000 0.927 422 N CB 0.661 38.395 38.487 -1.255 0.000 1.065 422 N HN 0.026 nan 8.380 nan 0.000 0.461 423 P HA 0.029 nan 4.420 nan 0.000 0.268 423 P C -0.887 176.682 177.300 0.448 0.000 1.204 423 P CA 0.065 63.340 63.100 0.292 0.000 0.768 423 P CB 0.897 32.764 31.700 0.278 0.000 0.842 424 V N 2.521 122.616 119.914 0.301 0.000 2.735 424 V HA 0.671 4.792 4.120 0.001 0.000 0.310 424 V C 0.151 176.323 176.094 0.131 0.000 1.061 424 V CA -0.867 61.613 62.300 0.300 0.000 0.913 424 V CB 1.951 33.979 31.823 0.342 0.000 1.005 424 V HN 0.761 nan 8.190 nan 0.000 0.428 425 A N 2.739 125.574 122.820 0.025 0.000 2.337 425 A HA 0.958 5.279 4.320 0.001 0.000 0.329 425 A C 0.003 177.468 177.584 -0.197 0.000 1.146 425 A CA -0.246 51.739 52.037 -0.087 0.000 0.800 425 A CB 1.539 20.451 19.000 -0.147 0.000 1.220 425 A HN 1.017 nan 8.150 nan 0.000 0.472 426 T N -1.368 113.078 114.554 -0.180 0.000 2.887 426 T HA 0.894 5.245 4.350 0.001 0.000 0.292 426 T C 0.223 174.790 174.700 -0.221 0.000 1.087 426 T CA -0.191 61.769 62.100 -0.233 0.000 1.009 426 T CB 1.275 70.057 68.868 -0.144 0.000 1.203 426 T HN 2.639 nan 8.240 nan 0.000 0.518 427 G N 0.757 109.407 108.800 -0.250 0.000 2.699 427 G HA2 0.022 3.982 3.960 0.001 0.000 0.686 427 G HA3 0.022 3.982 3.960 0.001 0.000 0.686 427 G C -0.913 173.863 174.900 -0.207 0.000 1.301 427 G CA -0.793 44.198 45.100 -0.181 0.000 0.816 427 G HN 0.990 nan 8.290 nan 0.000 0.595 428 E N 0.931 121.079 120.200 -0.087 0.000 2.316 428 E HA 0.517 4.868 4.350 0.001 0.000 0.275 428 E C 0.826 177.532 176.600 0.177 0.000 1.029 428 E CA 0.006 56.448 56.400 0.069 0.000 0.871 428 E CB 1.017 30.875 29.700 0.262 0.000 1.022 428 E HN 0.801 nan 8.360 nan 0.000 0.418 429 R N 0.365 121.077 120.500 0.353 0.000 2.712 429 R HA 0.650 4.991 4.340 0.001 0.000 0.272 429 R C -0.623 175.969 176.300 0.487 0.000 1.032 429 R CA -1.028 55.268 56.100 0.326 0.000 0.874 429 R CB 1.014 31.459 30.300 0.243 0.000 1.256 429 R HN 0.508 nan 8.270 nan 0.000 0.468 430 G N 0.150 109.099 108.800 0.248 0.000 3.016 430 G HA2 0.513 4.473 3.960 0.001 0.000 0.270 430 G HA3 0.513 4.473 3.960 0.001 0.000 0.270 430 G C -2.139 172.454 174.900 -0.512 0.000 1.352 430 G CA -1.797 43.311 45.100 0.014 0.000 1.060 430 G HN 0.314 nan 8.290 nan 0.000 0.538 431 P HA -0.132 nan 4.420 nan 0.000 0.216 431 P C 1.385 178.404 177.300 -0.468 0.000 1.154 431 P CA 1.791 64.046 63.100 -1.409 0.000 0.865 431 P CB 0.115 31.227 31.700 -0.980 0.000 0.789 432 D N -0.487 119.767 120.400 -0.243 0.000 2.218 432 D HA -0.142 4.499 4.640 0.001 0.000 0.204 432 D C 1.533 177.846 176.300 0.022 0.000 0.976 432 D CA 1.761 55.721 54.000 -0.068 0.000 0.853 432 D CB -1.348 39.427 40.800 -0.041 0.000 0.939 432 D HN 0.253 nan 8.370 nan 0.000 0.481 433 S N -1.219 114.511 115.700 0.051 0.000 2.607 433 S HA 0.075 4.546 4.470 0.001 0.000 0.224 433 S C 1.168 175.905 174.600 0.228 0.000 0.969 433 S CA -0.066 58.217 58.200 0.138 0.000 0.927 433 S CB -0.215 63.083 63.200 0.163 0.000 0.772 433 S HN 0.103 nan 8.310 nan 0.000 0.533 434 S N 0.876 116.737 115.700 0.268 0.000 2.651 434 S HA 0.315 4.786 4.470 0.001 0.000 0.246 434 S C 0.167 174.924 174.600 0.261 0.000 1.039 434 S CA -0.716 57.683 58.200 0.330 0.000 1.013 434 S CB 0.270 63.777 63.200 0.512 0.000 0.861 434 S HN 0.477 nan 8.310 nan 0.000 0.485 435 K N 0.000 120.525 120.400 0.209 0.000 2.780 435 K HA 0.000 4.321 4.320 0.001 0.000 0.191 435 K CA 0.000 56.397 56.287 0.184 0.000 0.838 435 K CB 0.000 32.574 32.500 0.123 0.000 1.064 435 K HN 0.000 nan 8.250 nan 0.000 0.543