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 3myv_1_A DATA FIRST_RESID 36 DATA SEQUENCE FRTVTDVDNA VNGLYDLXSG SGYYGAAXFA YGDXKGDDXQ SSEESGVCNT DATA SEQUENCE CYXFNHRPNS LNAGSLWGRP FYILREAWNI LNAIAEGKIE SGDEKKLNAL DATA SEQUENCE KGETXAVIAL CQFDLTRCFG YPYTKDKGAS LGAPLIDHLV GTYENPPRST DATA SEQUENCE VAQAYDFIIE TLEEAVTLXS EEKNNGRXNK YAARALLARI YLYHDDNRKA DATA SEQUENCE FDLADQLIKD ADTSGSYALY PHEKYVAAWS VEAKFGSESF FEIANSVDDT DATA SEQUENCE PGRDSWGYLL NWYGYQKGFV TQKYAEQXLA DPGDVRGHLL EENKYAGKTV DATA SEQUENCE WWLYKLRGTD LKTAPLECNN VVLRLSEVYL IAAEAGCKLG GDAAVQGLGY DATA SEQUENCE LNEIVKRGNP DNEVTXADYT LDRVLDERSK ELVGEGHRFF DLLRNGKTIV DATA SEQUENCE RKGGYHLPSV DEEVDWDFYK CVLPIPEDQF IFSPEXEQNP GYPKN 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 36 F HA 0.000 nan 4.527 nan 0.000 0.279 36 F C 0.000 175.800 175.800 -0.001 0.000 0.967 36 F CA 0.000 58.000 58.000 0.000 0.000 1.383 36 F CB 0.000 38.999 39.000 -0.001 0.000 1.145 37 R N -0.334 120.245 120.500 0.132 0.000 2.221 37 R HA 0.539 4.880 4.340 0.002 0.000 0.195 37 R C 0.935 177.278 176.300 0.072 0.000 0.956 37 R CA 1.513 57.663 56.100 0.084 0.000 1.064 37 R CB 0.053 30.379 30.300 0.043 0.000 1.049 37 R HN 0.416 nan 8.270 nan 0.000 0.534 38 T N -4.633 109.966 114.554 0.074 0.000 2.887 38 T HA 0.447 4.798 4.350 0.002 0.000 0.292 38 T C 1.072 175.813 174.700 0.068 0.000 1.087 38 T CA 0.094 62.227 62.100 0.054 0.000 1.009 38 T CB 1.761 70.648 68.868 0.033 0.000 1.203 38 T HN -0.087 nan 8.240 nan 0.000 0.518 39 V N 1.213 121.154 119.914 0.045 0.000 2.469 39 V HA -0.169 3.952 4.120 0.002 0.000 0.251 39 V C 2.900 179.021 176.094 0.043 0.000 1.064 39 V CA 2.595 64.919 62.300 0.041 0.000 1.066 39 V CB -1.300 30.535 31.823 0.019 0.000 0.667 39 V HN 1.106 nan 8.190 nan 0.000 0.461 40 T N -0.413 114.161 114.554 0.033 0.000 2.746 40 T HA -0.195 4.156 4.350 0.002 0.000 0.267 40 T C 1.660 176.380 174.700 0.034 0.000 1.039 40 T CA 1.681 63.796 62.100 0.025 0.000 1.142 40 T CB -0.393 68.483 68.868 0.013 0.000 0.866 40 T HN 0.501 nan 8.240 nan 0.000 0.444 41 D N 0.811 121.235 120.400 0.040 0.000 2.123 41 D HA -0.078 4.563 4.640 0.002 0.000 0.196 41 D C 2.226 178.585 176.300 0.099 0.000 0.992 41 D CA 0.739 54.756 54.000 0.028 0.000 0.833 41 D CB -0.525 40.285 40.800 0.017 0.000 0.954 41 D HN 0.227 nan 8.370 nan 0.000 0.455 42 V N 1.089 121.107 119.914 0.173 0.000 2.358 42 V HA -0.223 3.898 4.120 0.002 0.000 0.246 42 V C 2.174 178.348 176.094 0.133 0.000 1.047 42 V CA 1.755 64.187 62.300 0.219 0.000 1.035 42 V CB -0.453 31.452 31.823 0.136 0.000 0.658 42 V HN 0.082 nan 8.190 nan 0.000 0.452 43 D N 0.505 120.953 120.400 0.079 0.000 2.123 43 D HA -0.182 4.459 4.640 0.002 0.000 0.196 43 D C 1.966 178.304 176.300 0.064 0.000 0.992 43 D CA 1.451 55.485 54.000 0.056 0.000 0.833 43 D CB -0.219 40.599 40.800 0.029 0.000 0.954 43 D HN 0.356 nan 8.370 nan 0.000 0.455 44 N N 0.150 118.881 118.700 0.053 0.000 2.120 44 N HA -0.100 4.641 4.740 0.002 0.000 0.188 44 N C 1.716 177.264 175.510 0.062 0.000 1.024 44 N CA 1.341 54.416 53.050 0.042 0.000 0.852 44 N CB -0.581 37.912 38.487 0.009 0.000 1.003 44 N HN 0.271 nan 8.380 nan 0.000 0.424 45 A N 0.826 123.695 122.820 0.081 0.000 1.902 45 A HA -0.082 4.239 4.320 0.002 0.000 0.217 45 A C 2.524 180.191 177.584 0.138 0.000 1.181 45 A CA 1.355 53.464 52.037 0.121 0.000 0.623 45 A CB -0.793 18.375 19.000 0.281 0.000 0.818 45 A HN 0.106 nan 8.150 nan 0.000 0.443 46 V N 0.531 120.528 119.914 0.138 0.000 2.343 46 V HA -0.264 3.857 4.120 0.002 0.000 0.247 46 V C 2.368 178.607 176.094 0.241 0.000 1.051 46 V CA 2.283 64.670 62.300 0.145 0.000 1.036 46 V CB -1.155 30.742 31.823 0.125 0.000 0.654 46 V HN 0.707 nan 8.190 nan 0.000 0.451 47 N N 0.800 119.621 118.700 0.201 0.000 2.094 47 N HA -0.163 4.578 4.740 0.002 0.000 0.191 47 N C 1.840 177.496 175.510 0.244 0.000 1.023 47 N CA 1.701 54.881 53.050 0.216 0.000 0.857 47 N CB -0.545 38.004 38.487 0.102 0.000 1.013 47 N HN 0.445 nan 8.380 nan 0.000 0.426 48 G N 0.216 109.118 108.800 0.169 0.000 2.432 48 G HA2 -0.181 3.780 3.960 0.002 0.000 0.219 48 G HA3 -0.181 3.780 3.960 0.002 0.000 0.219 48 G C 1.450 176.447 174.900 0.162 0.000 1.135 48 G CA 0.653 45.843 45.100 0.150 0.000 0.767 48 G HN 0.301 nan 8.290 nan 0.000 0.550 49 L N -1.067 120.236 121.223 0.133 0.000 2.046 49 L HA -0.113 4.228 4.340 0.002 0.000 0.208 49 L C 2.642 179.528 176.870 0.026 0.000 1.077 49 L CA 1.073 55.935 54.840 0.036 0.000 0.747 49 L CB -0.547 41.444 42.059 -0.113 0.000 0.896 49 L HN 0.199 nan 8.230 nan 0.000 0.432 50 Y N -0.038 120.331 120.300 0.116 0.000 2.263 50 Y HA -0.188 4.363 4.550 0.002 0.000 0.292 50 Y C 2.454 178.445 175.900 0.151 0.000 1.130 50 Y CA 0.855 59.044 58.100 0.150 0.000 1.179 50 Y CB -0.438 38.112 38.460 0.150 0.000 0.998 50 Y HN 0.179 nan 8.280 nan 0.000 0.532 51 D N 0.646 121.216 120.400 0.283 0.000 2.116 51 D HA -0.155 4.486 4.640 0.002 0.000 0.193 51 D C 1.018 177.424 176.300 0.177 0.000 0.998 51 D CA 1.039 55.157 54.000 0.197 0.000 0.836 51 D CB -0.579 40.311 40.800 0.151 0.000 0.951 51 D HN 0.201 nan 8.370 nan 0.000 0.449 55 G N 2.252 111.154 108.800 0.171 0.000 2.491 55 G HA2 0.388 4.349 3.960 0.002 0.000 0.238 55 G HA3 0.388 4.349 3.960 0.002 0.000 0.238 55 G C 0.991 175.982 174.900 0.151 0.000 1.277 55 G CA 0.221 45.407 45.100 0.143 0.000 0.851 55 G HN 0.965 nan 8.290 nan 0.000 0.573 56 S N 1.034 116.815 115.700 0.134 0.000 2.442 56 S HA -0.078 4.393 4.470 0.002 0.000 0.236 56 S C 2.298 176.973 174.600 0.125 0.000 1.007 56 S CA 1.186 59.473 58.200 0.145 0.000 0.965 56 S CB -0.230 63.056 63.200 0.143 0.000 0.773 56 S HN 0.893 nan 8.310 nan 0.000 0.504 57 G N -0.823 108.044 108.800 0.112 0.000 2.598 57 G HA2 0.085 4.046 3.960 0.002 0.000 0.215 57 G HA3 0.085 4.046 3.960 0.002 0.000 0.215 57 G C 0.797 175.764 174.900 0.111 0.000 1.131 57 G CA 0.791 45.947 45.100 0.093 0.000 0.785 57 G HN 0.533 nan 8.290 nan 0.000 0.539 58 Y N -1.304 118.960 120.300 -0.058 0.000 2.725 58 Y HA 0.399 4.951 4.550 0.003 0.000 0.112 58 Y C 1.215 176.954 175.900 -0.269 0.000 0.888 58 Y CA -1.068 56.919 58.100 -0.189 0.000 1.840 58 Y CB -0.411 37.984 38.460 -0.108 0.000 1.177 58 Y HN -0.019 nan 8.280 nan 0.000 0.263 59 Y N 1.155 121.313 120.300 -0.237 0.000 2.490 59 Y HA 0.210 4.761 4.550 0.002 0.000 0.281 59 Y C 2.186 178.145 175.900 0.098 0.000 1.174 59 Y CA 0.771 58.724 58.100 -0.244 0.000 1.295 59 Y CB -0.314 37.911 38.460 -0.392 0.000 1.062 59 Y HN 0.484 nan 8.280 nan 0.000 0.522 60 G N -0.907 108.027 108.800 0.222 0.000 2.511 60 G HA2 0.155 4.116 3.960 0.002 0.000 0.217 60 G HA3 0.155 4.116 3.960 0.002 0.000 0.217 60 G C 1.262 176.340 174.900 0.295 0.000 1.133 60 G CA 1.047 46.294 45.100 0.246 0.000 0.792 60 G HN 0.425 nan 8.290 nan 0.000 0.539 61 A N -1.329 121.635 122.820 0.240 0.000 1.544 61 A HA 0.674 4.995 4.320 0.002 0.000 0.206 61 A C 1.304 178.872 177.584 -0.025 0.000 1.895 61 A CA 1.028 53.200 52.037 0.225 0.000 1.585 61 A CB -0.915 18.274 19.000 0.314 0.000 1.485 61 A HN 1.155 nan 8.150 nan 0.000 0.342 65 A N 0.143 122.620 122.820 -0.572 0.000 1.917 65 A HA -0.249 4.072 4.320 0.002 0.000 0.219 65 A C 1.953 179.512 177.584 -0.041 0.000 1.182 65 A CA 2.389 54.366 52.037 -0.099 0.000 0.633 65 A CB -1.242 17.787 19.000 0.048 0.000 0.819 65 A HN 0.532 nan 8.150 nan 0.000 0.448 66 Y N 0.371 120.543 120.300 -0.212 0.000 2.133 66 Y HA -0.016 4.535 4.550 0.002 0.000 0.287 66 Y C 2.578 178.285 175.900 -0.321 0.000 1.134 66 Y CA 1.690 59.622 58.100 -0.280 0.000 1.133 66 Y CB -0.729 37.579 38.460 -0.253 0.000 0.987 66 Y HN 0.245 nan 8.280 nan 0.000 0.502 67 G N -0.230 108.592 108.800 0.036 0.000 2.422 67 G HA2 -0.143 3.818 3.960 0.002 0.000 0.218 67 G HA3 -0.143 3.818 3.960 0.002 0.000 0.218 67 G C 0.596 175.547 174.900 0.086 0.000 1.140 67 G CA 0.753 45.864 45.100 0.017 0.000 0.775 67 G HN 0.308 nan 8.290 nan 0.000 0.545 71 G N 1.484 110.417 108.800 0.220 0.000 2.494 71 G HA2 0.091 4.052 3.960 0.002 0.000 0.270 71 G HA3 0.091 4.052 3.960 0.002 0.000 0.270 71 G C 0.270 175.322 174.900 0.254 0.000 1.423 71 G CA 0.384 45.648 45.100 0.274 0.000 1.055 71 G HN 0.191 nan 8.290 nan 0.000 0.536 72 D N -1.470 119.064 120.400 0.224 0.000 2.398 72 D HA 0.135 4.776 4.640 0.002 0.000 0.210 72 D C -0.163 176.277 176.300 0.234 0.000 1.094 72 D CA -0.085 54.054 54.000 0.231 0.000 0.839 72 D CB 0.346 41.247 40.800 0.169 0.000 0.963 72 D HN 0.097 nan 8.370 nan 0.000 0.506 76 S N 0.679 115.801 115.700 -0.963 0.000 2.579 76 S HA 0.426 4.897 4.470 0.002 0.000 0.275 76 S C 0.213 174.447 174.600 -0.610 0.000 1.345 76 S CA 0.380 58.194 58.200 -0.642 0.000 1.031 76 S CB 0.484 63.422 63.200 -0.437 0.000 0.892 76 S HN 0.722 nan 8.310 nan 0.000 0.529 77 S N 2.884 118.175 115.700 -0.682 0.000 2.598 77 S HA 0.364 4.835 4.470 0.002 0.000 0.267 77 S C 0.765 175.272 174.600 -0.154 0.000 1.189 77 S CA -0.588 57.258 58.200 -0.591 0.000 1.010 77 S CB -0.001 62.648 63.200 -0.920 0.000 1.084 77 S HN 0.776 nan 8.310 nan 0.000 0.541 78 E N 0.685 120.934 120.200 0.081 0.000 2.482 78 E HA 0.083 4.434 4.350 0.002 0.000 0.196 78 E C -0.068 176.541 176.600 0.015 0.000 1.047 78 E CA 0.242 56.704 56.400 0.103 0.000 0.869 78 E CB -0.121 29.681 29.700 0.170 0.000 0.836 78 E HN 0.535 nan 8.360 nan 0.000 0.520 79 E N 1.629 121.796 120.200 -0.055 0.000 2.398 79 E HA 0.035 4.386 4.350 0.002 0.000 0.263 79 E C 0.464 177.017 176.600 -0.079 0.000 1.046 79 E CA 0.016 56.363 56.400 -0.088 0.000 0.908 79 E CB 0.838 30.448 29.700 -0.150 0.000 0.963 79 E HN 0.038 nan 8.360 nan 0.000 0.431 80 S N 0.553 116.209 115.700 -0.074 0.000 2.645 80 S HA 0.717 5.188 4.470 0.002 0.000 0.266 80 S C 0.642 175.204 174.600 -0.064 0.000 1.258 80 S CA 0.072 58.239 58.200 -0.055 0.000 0.990 80 S CB 1.488 64.657 63.200 -0.052 0.000 0.967 80 S HN 0.830 nan 8.310 nan 0.000 0.556 81 G N -0.669 108.111 108.800 -0.033 0.000 2.331 81 G HA2 -0.066 3.895 3.960 0.002 0.000 0.479 81 G HA3 -0.066 3.895 3.960 0.002 0.000 0.479 81 G C 0.274 175.185 174.900 0.019 0.000 1.262 81 G CA -0.227 44.865 45.100 -0.013 0.000 1.029 81 G HN 1.518 nan 8.290 nan 0.000 0.487 82 V N 0.252 120.197 119.914 0.051 0.000 2.515 82 V HA -0.110 4.011 4.120 0.002 0.000 0.250 82 V C 2.941 179.081 176.094 0.077 0.000 1.058 82 V CA 3.140 65.484 62.300 0.074 0.000 1.064 82 V CB -0.900 30.982 31.823 0.099 0.000 0.675 82 V HN 0.967 nan 8.190 nan 0.000 0.461 83 C N 0.396 119.753 119.300 0.095 0.000 2.429 83 C HA -0.144 4.317 4.460 0.002 0.000 0.277 83 C C 2.668 177.686 174.990 0.047 0.000 1.262 83 C CA 1.655 60.727 59.018 0.090 0.000 1.733 83 C CB -1.591 26.190 27.740 0.068 0.000 2.010 83 C HN 0.769 nan 8.230 nan 0.000 0.483 84 N N 0.784 119.498 118.700 0.024 0.000 2.106 84 N HA -0.143 4.598 4.740 0.002 0.000 0.188 84 N C 1.841 177.388 175.510 0.062 0.000 1.029 84 N CA 2.515 55.596 53.050 0.053 0.000 0.848 84 N CB -0.330 38.167 38.487 0.017 0.000 1.007 84 N HN 0.657 nan 8.380 nan 0.000 0.423 85 T N -1.234 113.316 114.554 -0.007 0.000 2.821 85 T HA -0.071 4.280 4.350 0.002 0.000 0.267 85 T C 2.547 177.115 174.700 -0.221 0.000 1.046 85 T CA 1.203 63.239 62.100 -0.108 0.000 1.139 85 T CB -0.943 67.874 68.868 -0.086 0.000 0.871 85 T HN 0.256 nan 8.240 nan 0.000 0.454 86 C N 0.234 119.472 119.300 -0.104 0.000 2.432 86 C HA 0.124 4.585 4.460 0.002 0.000 0.277 86 C C 1.681 176.457 174.990 -0.357 0.000 1.249 86 C CA -0.390 58.480 59.018 -0.247 0.000 1.725 86 C CB -1.438 26.171 27.740 -0.217 0.000 2.028 86 C HN 0.670 nan 8.230 nan 0.000 0.477 90 N N 2.073 120.472 118.700 -0.501 0.000 2.719 90 N HA 0.163 4.904 4.740 0.002 0.000 0.243 90 N C -0.946 174.282 175.510 -0.470 0.000 1.104 90 N CA 0.323 53.184 53.050 -0.315 0.000 0.981 90 N CB -0.074 38.314 38.487 -0.164 0.000 1.290 90 N HN 0.266 nan 8.380 nan 0.000 0.513 91 H N 1.793 120.922 119.070 0.099 0.000 2.679 91 H HA 0.518 5.075 4.556 0.001 0.000 0.360 91 H C -0.148 175.280 175.328 0.168 0.000 1.105 91 H CA -0.658 55.447 56.048 0.096 0.000 1.196 91 H CB 1.868 31.677 29.762 0.078 0.000 1.636 91 H HN 0.525 nan 8.280 nan 0.000 0.531 92 R N 1.084 121.704 120.500 0.199 0.000 2.739 92 R HA 0.399 4.740 4.340 0.002 0.000 0.271 92 R C -2.811 173.508 176.300 0.031 0.000 1.010 92 R CA -1.909 54.283 56.100 0.154 0.000 0.897 92 R CB 1.425 31.820 30.300 0.158 0.000 1.236 92 R HN 0.113 nan 8.270 nan 0.000 0.466 93 P HA -0.180 nan 4.420 nan 0.000 0.216 93 P C 0.328 177.616 177.300 -0.021 0.000 1.150 93 P CA 1.544 64.628 63.100 -0.027 0.000 0.837 93 P CB 0.024 31.754 31.700 0.050 0.000 0.786 94 N N -2.025 116.682 118.700 0.011 0.000 2.398 94 N HA 0.023 4.764 4.740 0.002 0.000 0.188 94 N C -0.197 175.314 175.510 0.002 0.000 1.122 94 N CA 0.269 53.320 53.050 0.001 0.000 0.866 94 N CB -0.191 38.304 38.487 0.013 0.000 0.970 94 N HN -0.144 nan 8.380 nan 0.000 0.462 95 S N -0.162 115.547 115.700 0.014 0.000 2.417 95 S HA 0.289 4.760 4.470 0.002 0.000 0.189 95 S C 0.113 174.746 174.600 0.056 0.000 1.005 95 S CA -0.581 57.636 58.200 0.028 0.000 1.116 95 S CB -0.539 62.681 63.200 0.034 0.000 1.343 95 S HN 0.033 nan 8.310 nan 0.000 0.406 96 L N 3.001 124.252 121.223 0.047 0.000 2.127 96 L HA 0.132 4.473 4.340 0.002 0.000 0.211 96 L C 1.016 178.005 176.870 0.199 0.000 1.089 96 L CA 1.346 56.237 54.840 0.085 0.000 0.757 96 L CB -0.727 41.367 42.059 0.057 0.000 0.899 96 L HN 0.781 nan 8.230 nan 0.000 0.434 97 N N -0.919 117.868 118.700 0.145 0.000 2.738 97 N HA -0.205 4.536 4.740 0.002 0.000 0.249 97 N C 0.121 175.761 175.510 0.218 0.000 1.047 97 N CA 0.975 54.116 53.050 0.152 0.000 0.707 97 N CB -1.388 37.161 38.487 0.104 0.000 0.937 97 N HN 0.434 nan 8.380 nan 0.000 0.545 98 A N -1.001 121.906 122.820 0.145 0.000 3.292 98 A HA 0.663 4.984 4.320 0.002 0.000 0.231 98 A C 1.296 178.921 177.584 0.068 0.000 0.952 98 A CA 0.848 52.951 52.037 0.110 0.000 1.044 98 A CB -0.018 18.996 19.000 0.023 0.000 1.236 98 A HN 1.150 nan 8.150 nan 0.000 0.525 99 G N 0.839 109.683 108.800 0.073 0.000 2.622 99 G HA2 -0.250 3.711 3.960 0.002 0.000 0.307 99 G HA3 -0.250 3.711 3.960 0.002 0.000 0.307 99 G C 0.650 175.586 174.900 0.060 0.000 1.226 99 G CA 0.573 45.710 45.100 0.061 0.000 0.997 99 G HN 1.264 nan 8.290 nan 0.000 0.551 100 S N 0.719 116.447 115.700 0.048 0.000 2.661 100 S HA 0.427 4.898 4.470 0.002 0.000 0.245 100 S C 1.617 176.220 174.600 0.006 0.000 1.117 100 S CA -0.032 58.199 58.200 0.051 0.000 1.091 100 S CB 0.329 63.553 63.200 0.041 0.000 0.887 100 S HN 0.513 nan 8.310 nan 0.000 0.491 101 L N 0.457 121.686 121.223 0.010 0.000 2.456 101 L HA 0.009 4.350 4.340 0.002 0.000 0.224 101 L C 2.053 178.985 176.870 0.103 0.000 1.148 101 L CA 0.970 55.759 54.840 -0.084 0.000 0.825 101 L CB -0.126 41.835 42.059 -0.165 0.000 0.937 101 L HN 0.624 nan 8.230 nan 0.000 0.450 102 W N 0.641 121.976 121.300 0.059 0.000 2.674 102 W HA 0.030 4.691 4.660 0.001 0.000 0.298 102 W C 1.953 178.489 176.519 0.028 0.000 1.115 102 W CA 1.179 58.529 57.345 0.009 0.000 1.532 102 W CB -0.455 28.986 29.460 -0.031 0.000 1.142 102 W HN 0.078 nan 8.180 nan 0.000 0.528 103 G N 1.153 110.174 108.800 0.369 0.000 2.440 103 G HA2 -0.338 3.623 3.960 0.002 0.000 0.218 103 G HA3 -0.338 3.623 3.960 0.002 0.000 0.218 103 G C 1.549 176.510 174.900 0.101 0.000 1.154 103 G CA 1.430 46.692 45.100 0.269 0.000 0.767 103 G HN 0.186 nan 8.290 nan 0.000 0.552 104 R N 1.296 121.784 120.500 -0.020 0.000 2.062 104 R HA 0.056 4.397 4.340 0.002 0.000 0.229 104 R C -0.093 176.112 176.300 -0.158 0.000 1.128 104 R CA 0.939 57.010 56.100 -0.049 0.000 0.960 104 R CB -1.256 29.020 30.300 -0.040 0.000 0.855 104 R HN 0.292 nan 8.270 nan 0.000 0.432 105 P HA -0.056 nan 4.420 nan 0.000 0.218 105 P C 0.764 177.840 177.300 -0.374 0.000 1.149 105 P CA 1.113 63.887 63.100 -0.544 0.000 0.817 105 P CB -0.089 31.111 31.700 -0.833 0.000 0.785 106 F N -2.373 117.393 119.950 -0.307 0.000 2.186 106 F HA -0.126 4.404 4.527 0.005 0.000 0.299 106 F C 2.403 178.127 175.800 -0.128 0.000 1.090 106 F CA 1.073 58.898 58.000 -0.291 0.000 1.307 106 F CB -1.336 37.390 39.000 -0.456 0.000 1.019 106 F HN -0.091 nan 8.300 nan 0.000 0.489 107 Y N 0.473 120.797 120.300 0.040 0.000 2.181 107 Y HA -0.219 4.330 4.550 -0.000 0.000 0.288 107 Y C 2.248 178.166 175.900 0.029 0.000 1.146 107 Y CA 1.611 59.733 58.100 0.036 0.000 1.164 107 Y CB -0.491 37.990 38.460 0.036 0.000 0.982 107 Y HN -0.002 nan 8.280 nan 0.000 0.515 108 I N -0.502 120.168 120.570 0.166 0.000 2.226 108 I HA -0.341 3.830 4.170 0.002 0.000 0.245 108 I C 2.287 178.408 176.117 0.006 0.000 1.100 108 I CA 1.254 62.611 61.300 0.095 0.000 1.374 108 I CB -0.473 37.593 38.000 0.110 0.000 1.057 108 I HN 0.238 nan 8.210 nan 0.000 0.413 109 L N 0.323 121.547 121.223 0.003 0.000 2.042 109 L HA -0.248 4.093 4.340 0.002 0.000 0.210 109 L C 2.820 179.762 176.870 0.119 0.000 1.076 109 L CA 1.423 56.301 54.840 0.064 0.000 0.749 109 L CB -0.569 41.528 42.059 0.065 0.000 0.893 109 L HN 0.247 nan 8.230 nan 0.000 0.432 110 R N 0.043 120.545 120.500 0.002 0.000 2.073 110 R HA -0.179 4.162 4.340 0.002 0.000 0.234 110 R C 2.133 178.402 176.300 -0.051 0.000 1.134 110 R CA 1.551 57.618 56.100 -0.055 0.000 0.952 110 R CB -0.105 30.072 30.300 -0.205 0.000 0.850 110 R HN 0.314 nan 8.270 nan 0.000 0.433 111 E N 0.431 120.553 120.200 -0.129 0.000 2.110 111 E HA -0.149 4.202 4.350 0.002 0.000 0.193 111 E C 1.894 178.496 176.600 0.003 0.000 0.988 111 E CA 1.216 57.580 56.400 -0.060 0.000 0.804 111 E CB -0.253 29.419 29.700 -0.047 0.000 0.745 111 E HN 0.484 nan 8.360 nan 0.000 0.458 112 A N 0.385 123.189 122.820 -0.026 0.000 1.877 112 A HA -0.161 4.160 4.320 0.002 0.000 0.216 112 A C 2.031 179.519 177.584 -0.162 0.000 1.186 112 A CA 1.207 53.179 52.037 -0.109 0.000 0.620 112 A CB -1.102 17.793 19.000 -0.174 0.000 0.822 112 A HN 0.306 nan 8.150 nan 0.000 0.443 113 W N 0.514 121.761 121.300 -0.087 0.000 2.402 113 W HA -0.094 4.568 4.660 0.003 0.000 0.286 113 W C 2.037 178.490 176.519 -0.110 0.000 1.221 113 W CA 1.002 58.290 57.345 -0.096 0.000 1.257 113 W CB -0.155 29.235 29.460 -0.118 0.000 1.120 113 W HN 0.337 nan 8.180 nan 0.000 0.551 114 N N 0.368 119.128 118.700 0.100 0.000 2.166 114 N HA -0.156 4.585 4.740 0.002 0.000 0.186 114 N C 1.562 176.980 175.510 -0.154 0.000 1.019 114 N CA 1.533 54.599 53.050 0.025 0.000 0.856 114 N CB -0.682 37.857 38.487 0.086 0.000 0.993 114 N HN 0.204 nan 8.380 nan 0.000 0.426 115 I N 0.831 121.302 120.570 -0.165 0.000 2.163 115 I HA -0.216 3.955 4.170 0.002 0.000 0.240 115 I C 2.096 177.998 176.117 -0.359 0.000 1.081 115 I CA 0.794 61.874 61.300 -0.367 0.000 1.353 115 I CB -0.225 37.693 38.000 -0.136 0.000 1.054 115 I HN 0.052 nan 8.210 nan 0.000 0.407 116 L N 0.374 121.446 121.223 -0.251 0.000 2.042 116 L HA -0.266 4.075 4.340 0.002 0.000 0.210 116 L C 2.450 179.240 176.870 -0.132 0.000 1.076 116 L CA 1.559 56.265 54.840 -0.224 0.000 0.749 116 L CB -0.875 40.980 42.059 -0.340 0.000 0.893 116 L HN 0.447 nan 8.230 nan 0.000 0.432 117 N N 0.294 118.955 118.700 -0.065 0.000 2.120 117 N HA -0.187 4.554 4.740 0.002 0.000 0.188 117 N C 1.896 177.331 175.510 -0.125 0.000 1.024 117 N CA 1.380 54.412 53.050 -0.030 0.000 0.852 117 N CB 0.142 38.642 38.487 0.021 0.000 1.003 117 N HN 0.305 nan 8.380 nan 0.000 0.424 118 A N 1.668 124.324 122.820 -0.274 0.000 1.883 118 A HA -0.140 4.181 4.320 0.002 0.000 0.217 118 A C 2.276 179.722 177.584 -0.231 0.000 1.186 118 A CA 1.186 53.021 52.037 -0.338 0.000 0.624 118 A CB -0.750 17.749 19.000 -0.834 0.000 0.822 118 A HN 0.360 nan 8.150 nan 0.000 0.444 119 I N -0.331 120.091 120.570 -0.245 0.000 2.179 119 I HA -0.286 3.885 4.170 0.002 0.000 0.242 119 I C 2.938 179.000 176.117 -0.091 0.000 1.088 119 I CA 1.172 62.382 61.300 -0.149 0.000 1.357 119 I CB -0.373 37.539 38.000 -0.147 0.000 1.051 119 I HN 0.358 nan 8.210 nan 0.000 0.409 120 A N 0.055 122.828 122.820 -0.079 0.000 2.019 120 A HA -0.182 4.139 4.320 0.002 0.000 0.219 120 A C 2.087 179.652 177.584 -0.031 0.000 1.164 120 A CA 1.399 53.413 52.037 -0.039 0.000 0.644 120 A CB -0.499 18.496 19.000 -0.010 0.000 0.805 120 A HN 0.459 nan 8.150 nan 0.000 0.449 121 E N -1.398 118.778 120.200 -0.041 0.000 2.502 121 E HA 0.224 4.575 4.350 0.002 0.000 0.194 121 E C 1.006 177.593 176.600 -0.022 0.000 1.062 121 E CA 0.236 56.620 56.400 -0.026 0.000 0.867 121 E CB -0.145 29.540 29.700 -0.026 0.000 0.888 121 E HN 0.729 nan 8.360 nan 0.000 0.510 122 G N 0.738 109.521 108.800 -0.028 0.000 2.147 122 G HA2 -0.403 3.558 3.960 0.002 0.000 0.244 122 G HA3 -0.403 3.558 3.960 0.002 0.000 0.244 122 G C 1.012 175.907 174.900 -0.009 0.000 1.005 122 G CA 0.663 45.752 45.100 -0.018 0.000 0.713 122 G HN 0.419 nan 8.290 nan 0.000 0.515 123 K N -1.019 119.373 120.400 -0.014 0.000 2.288 123 K HA 0.522 4.843 4.320 0.002 0.000 0.201 123 K C 1.010 177.631 176.600 0.034 0.000 1.048 123 K CA 1.452 57.748 56.287 0.015 0.000 0.956 123 K CB -0.014 32.500 32.500 0.024 0.000 0.746 123 K HN 0.676 nan 8.250 nan 0.000 0.461 124 I N 1.909 122.490 120.570 0.018 0.000 2.396 124 I HA 0.166 4.337 4.170 0.002 0.000 0.292 124 I C 0.354 176.483 176.117 0.021 0.000 0.999 124 I CA -0.966 60.354 61.300 0.033 0.000 1.310 124 I CB 1.663 39.678 38.000 0.024 0.000 1.404 124 I HN 0.279 nan 8.210 nan 0.000 0.496 125 E N 3.271 123.486 120.200 0.026 0.000 2.467 125 E HA 0.064 4.415 4.350 0.002 0.000 0.264 125 E C 0.175 176.781 176.600 0.010 0.000 1.020 125 E CA -0.031 56.379 56.400 0.016 0.000 0.945 125 E CB 0.455 30.165 29.700 0.017 0.000 0.942 125 E HN 0.732 nan 8.360 nan 0.000 0.449 126 S N 1.320 117.024 115.700 0.005 0.000 2.617 126 S HA 0.479 4.950 4.470 0.002 0.000 0.259 126 S C 1.108 175.709 174.600 0.001 0.000 1.301 126 S CA -0.127 58.074 58.200 0.001 0.000 0.984 126 S CB 1.416 64.616 63.200 -0.000 0.000 0.954 126 S HN 0.845 nan 8.310 nan 0.000 0.572 127 G N 0.252 109.051 108.800 -0.002 0.000 2.307 127 G HA2 -0.179 3.782 3.960 0.002 0.000 0.210 127 G HA3 -0.179 3.782 3.960 0.002 0.000 0.210 127 G C 0.026 174.924 174.900 -0.004 0.000 1.005 127 G CA 0.218 45.317 45.100 -0.002 0.000 0.634 127 G HN 0.780 nan 8.290 nan 0.000 0.496 128 D N 0.850 121.248 120.400 -0.003 0.000 3.008 128 D HA 0.326 4.967 4.640 0.002 0.000 0.312 128 D C 1.365 177.660 176.300 -0.008 0.000 1.361 128 D CA 0.151 54.149 54.000 -0.005 0.000 0.858 128 D CB 0.259 41.058 40.800 -0.001 0.000 1.098 128 D HN 0.561 nan 8.370 nan 0.000 0.482 129 E N 0.421 120.615 120.200 -0.010 0.000 2.150 129 E HA -0.173 4.178 4.350 0.002 0.000 0.193 129 E C 1.716 178.305 176.600 -0.019 0.000 0.985 129 E CA 0.761 57.152 56.400 -0.015 0.000 0.814 129 E CB 0.319 30.011 29.700 -0.015 0.000 0.752 129 E HN 0.128 nan 8.360 nan 0.000 0.466 130 K N 0.962 121.351 120.400 -0.018 0.000 2.025 130 K HA -0.198 4.123 4.320 0.002 0.000 0.207 130 K C 2.257 178.843 176.600 -0.023 0.000 1.049 130 K CA 1.524 57.798 56.287 -0.021 0.000 0.933 130 K CB -0.044 32.445 32.500 -0.019 0.000 0.714 130 K HN -0.056 nan 8.250 nan 0.000 0.438 131 K N 0.523 120.911 120.400 -0.019 0.000 2.057 131 K HA -0.158 4.163 4.320 0.002 0.000 0.207 131 K C 2.163 178.751 176.600 -0.020 0.000 1.049 131 K CA 1.098 57.374 56.287 -0.018 0.000 0.931 131 K CB -0.127 32.366 32.500 -0.012 0.000 0.714 131 K HN 0.112 nan 8.250 nan 0.000 0.440 132 L N 1.948 123.159 121.223 -0.019 0.000 2.042 132 L HA -0.182 4.159 4.340 0.002 0.000 0.210 132 L C 1.608 178.455 176.870 -0.038 0.000 1.076 132 L CA 1.769 56.595 54.840 -0.023 0.000 0.749 132 L CB -0.707 41.340 42.059 -0.021 0.000 0.893 132 L HN 0.230 nan 8.230 nan 0.000 0.432 133 N N 0.023 118.699 118.700 -0.040 0.000 2.120 133 N HA -0.121 4.620 4.740 0.002 0.000 0.188 133 N C 1.837 177.313 175.510 -0.057 0.000 1.024 133 N CA 1.524 54.544 53.050 -0.050 0.000 0.852 133 N CB -0.436 38.024 38.487 -0.045 0.000 1.003 133 N HN 0.527 nan 8.380 nan 0.000 0.424 134 A N 1.059 123.850 122.820 -0.048 0.000 1.902 134 A HA -0.066 4.255 4.320 0.002 0.000 0.217 134 A C 2.381 179.934 177.584 -0.053 0.000 1.181 134 A CA 0.969 52.976 52.037 -0.050 0.000 0.623 134 A CB -0.741 18.236 19.000 -0.038 0.000 0.818 134 A HN 0.231 nan 8.150 nan 0.000 0.443 135 L N -0.643 120.554 121.223 -0.042 0.000 2.093 135 L HA -0.188 4.153 4.340 0.002 0.000 0.208 135 L C 2.617 179.447 176.870 -0.067 0.000 1.085 135 L CA 1.855 56.673 54.840 -0.037 0.000 0.755 135 L CB -0.410 41.640 42.059 -0.015 0.000 0.904 135 L HN 0.496 nan 8.230 nan 0.000 0.435 136 K N 0.423 120.773 120.400 -0.083 0.000 2.032 136 K HA -0.172 4.149 4.320 0.002 0.000 0.209 136 K C 2.073 178.589 176.600 -0.140 0.000 1.048 136 K CA 1.634 57.850 56.287 -0.119 0.000 0.927 136 K CB -0.417 32.017 32.500 -0.110 0.000 0.712 136 K HN 0.297 nan 8.250 nan 0.000 0.441 137 G N 0.960 109.688 108.800 -0.120 0.000 2.440 137 G HA2 -0.318 3.643 3.960 0.002 0.000 0.218 137 G HA3 -0.318 3.643 3.960 0.002 0.000 0.218 137 G C 1.382 176.196 174.900 -0.144 0.000 1.154 137 G CA 1.065 46.085 45.100 -0.134 0.000 0.767 137 G HN 0.571 nan 8.290 nan 0.000 0.552 138 E N -0.017 120.115 120.200 -0.113 0.000 2.072 138 E HA -0.058 4.293 4.350 0.002 0.000 0.191 138 E C 1.164 177.687 176.600 -0.129 0.000 0.985 138 E CA 0.739 57.081 56.400 -0.098 0.000 0.801 138 E CB -0.117 29.562 29.700 -0.035 0.000 0.750 138 E HN 0.355 nan 8.360 nan 0.000 0.452 142 V N 1.537 121.311 119.914 -0.234 0.000 2.287 142 V HA -0.287 3.834 4.120 0.002 0.000 0.248 142 V C 2.394 178.397 176.094 -0.151 0.000 1.053 142 V CA 2.511 64.670 62.300 -0.234 0.000 1.027 142 V CB -0.806 30.827 31.823 -0.317 0.000 0.646 142 V HN 0.597 nan 8.190 nan 0.000 0.447 143 I N 0.300 120.769 120.570 -0.168 0.000 2.208 143 I HA -0.265 3.906 4.170 0.002 0.000 0.245 143 I C 2.654 178.746 176.117 -0.041 0.000 1.097 143 I CA 1.563 62.809 61.300 -0.091 0.000 1.363 143 I CB -0.570 37.343 38.000 -0.145 0.000 1.051 143 I HN 0.299 nan 8.210 nan 0.000 0.413 144 A N 0.536 123.273 122.820 -0.138 0.000 1.902 144 A HA -0.219 4.102 4.320 0.002 0.000 0.217 144 A C 2.238 179.771 177.584 -0.085 0.000 1.181 144 A CA 1.546 53.481 52.037 -0.170 0.000 0.623 144 A CB -0.816 18.009 19.000 -0.291 0.000 0.818 144 A HN 0.376 nan 8.150 nan 0.000 0.443 145 L N -0.124 121.061 121.223 -0.064 0.000 2.017 145 L HA -0.170 4.171 4.340 0.002 0.000 0.208 145 L C 2.508 179.460 176.870 0.136 0.000 1.073 145 L CA 2.153 57.026 54.840 0.054 0.000 0.745 145 L CB -1.021 41.065 42.059 0.045 0.000 0.894 145 L HN 0.476 nan 8.230 nan 0.000 0.432 146 C N -0.905 118.445 119.300 0.083 0.000 2.432 146 C HA -0.177 4.284 4.460 0.002 0.000 0.277 146 C C 2.786 177.706 174.990 -0.117 0.000 1.249 146 C CA 1.085 60.116 59.018 0.022 0.000 1.725 146 C CB -0.867 26.843 27.740 -0.049 0.000 2.028 146 C HN 0.669 nan 8.230 nan 0.000 0.477 147 Q N -0.002 119.756 119.800 -0.071 0.000 2.124 147 Q HA -0.151 4.190 4.340 0.002 0.000 0.202 147 Q C 1.848 177.798 176.000 -0.083 0.000 0.977 147 Q CA 1.580 57.328 55.803 -0.091 0.000 0.850 147 Q CB -0.569 28.216 28.738 0.078 0.000 0.901 147 Q HN 0.669 nan 8.270 nan 0.000 0.429 148 F N 0.780 120.604 119.950 -0.211 0.000 2.102 148 F HA -0.188 4.341 4.527 0.002 0.000 0.298 148 F C 1.467 177.115 175.800 -0.253 0.000 1.105 148 F CA 1.918 59.740 58.000 -0.297 0.000 1.239 148 F CB -0.415 38.391 39.000 -0.324 0.000 0.991 148 F HN 0.113 nan 8.300 nan 0.000 0.474 149 D N 0.720 120.928 120.400 -0.320 0.000 2.097 149 D HA -0.186 4.455 4.640 0.002 0.000 0.195 149 D C 2.487 178.580 176.300 -0.344 0.000 0.989 149 D CA 1.664 55.418 54.000 -0.410 0.000 0.827 149 D CB -0.648 40.078 40.800 -0.123 0.000 0.966 149 D HN 0.341 nan 8.370 nan 0.000 0.456 150 L N 0.630 121.688 121.223 -0.275 0.000 2.079 150 L HA -0.189 4.152 4.340 0.002 0.000 0.210 150 L C 2.488 179.363 176.870 0.008 0.000 1.081 150 L CA 1.238 55.992 54.840 -0.143 0.000 0.752 150 L CB -0.597 41.196 42.059 -0.444 0.000 0.896 150 L HN 0.047 nan 8.230 nan 0.000 0.433 151 T N -0.482 114.002 114.554 -0.117 0.000 2.737 151 T HA -0.159 4.192 4.350 0.002 0.000 0.265 151 T C 1.837 176.529 174.700 -0.013 0.000 1.038 151 T CA 1.486 63.571 62.100 -0.026 0.000 1.144 151 T CB -0.208 68.607 68.868 -0.088 0.000 0.866 151 T HN 0.464 nan 8.240 nan 0.000 0.434 152 R N 0.416 120.768 120.500 -0.247 0.000 2.193 152 R HA 0.118 4.459 4.340 0.002 0.000 0.213 152 R C 2.084 178.415 176.300 0.051 0.000 1.055 152 R CA 0.926 56.942 56.100 -0.141 0.000 0.995 152 R CB -1.024 28.950 30.300 -0.545 0.000 0.893 152 R HN 0.318 nan 8.270 nan 0.000 0.459 153 C N -0.181 119.041 119.300 -0.130 0.000 2.504 153 C HA 0.238 4.700 4.460 0.002 0.000 0.279 153 C C 1.511 176.224 174.990 -0.462 0.000 1.358 153 C CA 0.008 58.815 59.018 -0.352 0.000 1.747 153 C CB -0.606 26.684 27.740 -0.750 0.000 2.037 153 C HN 0.458 nan 8.230 nan 0.000 0.503 154 F N 0.561 120.538 119.950 0.044 0.000 2.706 154 F HA 0.358 4.887 4.527 0.003 0.000 0.308 154 F C 1.370 177.252 175.800 0.137 0.000 1.095 154 F CA 0.236 58.302 58.000 0.109 0.000 1.244 154 F CB -0.130 38.980 39.000 0.182 0.000 1.063 154 F HN 0.186 nan 8.300 nan 0.000 0.582 155 G N -1.325 107.632 108.800 0.262 0.000 2.473 155 G HA2 0.444 4.405 3.960 0.002 0.000 0.321 155 G HA3 0.444 4.405 3.960 0.002 0.000 0.321 155 G C -1.500 173.535 174.900 0.226 0.000 1.200 155 G CA -0.490 44.777 45.100 0.278 0.000 0.963 155 G HN -0.106 nan 8.290 nan 0.000 0.483 156 Y N 0.642 121.075 120.300 0.223 0.000 2.457 156 Y HA 0.239 4.789 4.550 0.001 0.000 0.341 156 Y C -1.476 174.548 175.900 0.208 0.000 1.240 156 Y CA -1.083 57.134 58.100 0.195 0.000 1.437 156 Y CB 0.370 38.886 38.460 0.093 0.000 1.328 156 Y HN 0.266 nan 8.280 nan 0.000 0.588 157 P HA -0.123 nan 4.420 nan 0.000 0.264 157 P C 0.193 177.643 177.300 0.251 0.000 1.183 157 P CA 0.414 63.726 63.100 0.353 0.000 0.763 157 P CB 0.234 32.174 31.700 0.399 0.000 0.807 158 Y N 3.823 124.252 120.300 0.215 0.000 2.139 158 Y HA -0.329 4.222 4.550 0.001 0.000 0.282 158 Y C 2.088 177.968 175.900 -0.034 0.000 1.179 158 Y CA 2.781 60.915 58.100 0.056 0.000 1.161 158 Y CB -0.983 37.359 38.460 -0.197 0.000 0.970 158 Y HN 0.399 nan 8.280 nan 0.000 0.511 159 T N -1.989 112.615 114.554 0.083 0.000 3.051 159 T HA -0.140 4.211 4.350 0.002 0.000 0.269 159 T C 1.781 176.321 174.700 -0.266 0.000 1.127 159 T CA 1.176 63.283 62.100 0.012 0.000 1.107 159 T CB -0.345 68.674 68.868 0.252 0.000 0.898 159 T HN 0.402 nan 8.240 nan 0.000 0.517 160 K N 2.169 122.211 120.400 -0.596 0.000 2.097 160 K HA -0.152 4.169 4.320 0.002 0.000 0.206 160 K C 0.672 176.847 176.600 -0.707 0.000 1.049 160 K CA 1.804 57.314 56.287 -1.295 0.000 0.933 160 K CB 0.086 31.822 32.500 -1.273 0.000 0.717 160 K HN 0.585 nan 8.250 nan 0.000 0.442 161 D N -1.360 118.739 120.400 -0.502 0.000 2.969 161 D HA 0.029 4.670 4.640 0.002 0.000 0.317 161 D C -0.826 175.244 176.300 -0.383 0.000 1.650 161 D CA -0.318 53.460 54.000 -0.371 0.000 0.789 161 D CB -0.064 40.548 40.800 -0.313 0.000 1.277 161 D HN -0.055 nan 8.370 nan 0.000 0.463 162 K N 0.952 120.997 120.400 -0.591 0.000 3.012 162 K HA -0.141 4.180 4.320 0.002 0.000 0.259 162 K C 1.058 177.220 176.600 -0.731 0.000 0.989 162 K CA 1.013 56.800 56.287 -0.832 0.000 0.728 162 K CB -2.129 30.171 32.500 -0.333 0.000 1.260 162 K HN 0.999 nan 8.250 nan 0.000 0.480 163 G N -1.509 106.886 108.800 -0.676 0.000 2.160 163 G HA2 -0.336 3.625 3.960 0.002 0.000 0.251 163 G HA3 -0.336 3.625 3.960 0.002 0.000 0.251 163 G C 0.993 175.928 174.900 0.058 0.000 1.008 163 G CA 0.935 46.008 45.100 -0.044 0.000 0.724 163 G HN 0.746 nan 8.290 nan 0.000 0.514 164 A N -0.133 122.660 122.820 -0.046 0.000 2.014 164 A HA 0.439 4.760 4.320 0.002 0.000 0.218 164 A C 2.062 179.671 177.584 0.041 0.000 1.163 164 A CA 1.900 53.935 52.037 -0.003 0.000 0.652 164 A CB -0.411 18.555 19.000 -0.057 0.000 0.808 164 A HN 2.043 nan 8.150 nan 0.000 0.449 165 S N -0.555 115.178 115.700 0.055 0.000 2.589 165 S HA 0.473 4.944 4.470 0.002 0.000 0.265 165 S C 0.005 174.719 174.600 0.190 0.000 1.342 165 S CA -0.657 57.614 58.200 0.118 0.000 1.005 165 S CB 0.181 63.491 63.200 0.183 0.000 0.909 165 S HN 0.301 nan 8.310 nan 0.000 0.555 166 L N 2.364 123.715 121.223 0.213 0.000 2.416 166 L HA 0.421 4.762 4.340 0.002 0.000 0.272 166 L C 1.355 178.386 176.870 0.268 0.000 1.161 166 L CA -0.212 54.760 54.840 0.220 0.000 0.845 166 L CB 0.065 42.248 42.059 0.208 0.000 1.119 166 L HN 1.017 nan 8.230 nan 0.000 0.464 167 G N 1.653 110.599 108.800 0.243 0.000 2.630 167 G HA2 0.617 4.578 3.960 0.002 0.000 0.223 167 G HA3 0.617 4.578 3.960 0.002 0.000 0.223 167 G C -0.342 174.702 174.900 0.241 0.000 1.434 167 G CA -0.038 45.212 45.100 0.250 0.000 1.057 167 G HN 0.751 nan 8.290 nan 0.000 0.570 168 A N -0.304 122.629 122.820 0.188 0.000 2.259 168 A HA 0.714 5.035 4.320 0.002 0.000 0.278 168 A C -2.314 175.340 177.584 0.116 0.000 1.107 168 A CA -1.054 51.066 52.037 0.137 0.000 0.828 168 A CB 0.104 19.077 19.000 -0.045 0.000 1.111 168 A HN 0.395 nan 8.150 nan 0.000 0.498 169 P HA 0.166 nan 4.420 nan 0.000 0.265 169 P C -0.863 176.475 177.300 0.063 0.000 1.187 169 P CA 0.122 63.247 63.100 0.042 0.000 0.766 169 P CB 0.248 31.884 31.700 -0.108 0.000 0.820 170 L N 5.065 126.283 121.223 -0.008 0.000 2.262 170 L HA 0.303 4.644 4.340 0.002 0.000 0.288 170 L C -0.560 176.196 176.870 -0.190 0.000 1.035 170 L CA -0.115 54.678 54.840 -0.078 0.000 0.820 170 L CB 0.018 42.028 42.059 -0.082 0.000 1.204 170 L HN 0.179 nan 8.230 nan 0.000 0.424 171 I N 5.609 126.056 120.570 -0.205 0.000 2.206 171 I HA 0.172 4.343 4.170 0.002 0.000 0.292 171 I C 0.423 176.255 176.117 -0.477 0.000 1.156 171 I CA -0.064 61.022 61.300 -0.358 0.000 1.356 171 I CB -0.444 37.475 38.000 -0.135 0.000 1.494 171 I HN 0.614 nan 8.210 nan 0.000 0.601 172 D N 4.046 124.019 120.400 -0.712 0.000 2.424 172 D HA 0.066 4.707 4.640 0.002 0.000 0.220 172 D C 0.407 176.340 176.300 -0.611 0.000 1.150 172 D CA 0.042 53.497 54.000 -0.908 0.000 0.831 172 D CB 0.249 40.379 40.800 -1.116 0.000 0.981 172 D HN 0.581 nan 8.370 nan 0.000 0.500 173 H N -2.371 115.876 119.070 -1.370 0.000 2.917 173 H HA 0.277 4.834 4.556 0.001 0.000 0.299 173 H C -1.462 172.884 175.328 -1.636 0.000 1.418 173 H CA -1.120 53.987 56.048 -1.568 0.000 1.138 173 H CB 0.333 29.676 29.762 -0.698 0.000 1.830 173 H HN -0.046 nan 8.280 nan 0.000 0.514 174 L N 2.202 122.880 121.223 -0.908 0.000 2.385 174 L HA 0.235 4.576 4.340 0.002 0.000 0.281 174 L C -0.466 176.217 176.870 -0.312 0.000 1.106 174 L CA -0.167 54.397 54.840 -0.460 0.000 0.856 174 L CB 0.073 42.060 42.059 -0.118 0.000 1.186 174 L HN 0.428 nan 8.230 nan 0.000 0.453 175 V N 5.712 125.378 119.914 -0.412 0.000 2.614 175 V HA 0.349 4.470 4.120 0.002 0.000 0.291 175 V C 1.275 177.275 176.094 -0.156 0.000 1.049 175 V CA -0.009 62.124 62.300 -0.279 0.000 1.038 175 V CB 0.754 32.373 31.823 -0.341 0.000 0.980 175 V HN 0.950 nan 8.190 nan 0.000 0.481 176 G N 3.190 111.932 108.800 -0.097 0.000 2.614 176 G HA2 0.210 4.171 3.960 0.002 0.000 0.239 176 G HA3 0.210 4.171 3.960 0.002 0.000 0.239 176 G C 1.077 175.861 174.900 -0.193 0.000 1.240 176 G CA 0.267 45.296 45.100 -0.117 0.000 0.842 176 G HN 0.773 nan 8.290 nan 0.000 0.584 177 T N 0.443 114.833 114.554 -0.274 0.000 2.653 177 T HA -0.204 4.147 4.350 0.002 0.000 0.268 177 T C 1.244 175.563 174.700 -0.636 0.000 1.035 177 T CA 1.980 63.770 62.100 -0.517 0.000 1.154 177 T CB -0.290 68.141 68.868 -0.728 0.000 0.862 177 T HN 0.523 nan 8.240 nan 0.000 0.441 178 Y N 0.827 121.051 120.300 -0.127 0.000 2.636 178 Y HA 0.435 4.988 4.550 0.005 0.000 0.260 178 Y C 0.672 176.468 175.900 -0.174 0.000 1.177 178 Y CA -1.167 56.828 58.100 -0.175 0.000 1.209 178 Y CB 0.019 38.390 38.460 -0.148 0.000 1.166 178 Y HN 0.217 nan 8.280 nan 0.000 0.531 179 E N 1.538 121.701 120.200 -0.062 0.000 2.313 179 E HA 0.184 4.536 4.350 0.002 0.000 0.276 179 E C -0.936 175.603 176.600 -0.102 0.000 1.031 179 E CA -0.276 56.085 56.400 -0.064 0.000 0.857 179 E CB 0.454 30.122 29.700 -0.054 0.000 1.040 179 E HN 0.362 nan 8.360 nan 0.000 0.408 180 N N 5.478 124.130 118.700 -0.080 0.000 2.626 180 N HA 0.280 5.021 4.740 0.002 0.000 0.249 180 N C -2.642 172.831 175.510 -0.061 0.000 1.021 180 N CA -1.308 51.692 53.050 -0.083 0.000 0.886 180 N CB 1.498 39.959 38.487 -0.044 0.000 1.149 180 N HN 0.327 nan 8.380 nan 0.000 0.517 181 P HA 0.105 nan 4.420 nan 0.000 0.266 181 P C -2.241 175.036 177.300 -0.039 0.000 1.195 181 P CA -0.684 62.384 63.100 -0.053 0.000 0.768 181 P CB 0.167 31.818 31.700 -0.082 0.000 0.838 182 P HA 0.230 nan 4.420 nan 0.000 0.279 182 P C -0.399 176.921 177.300 0.033 0.000 1.282 182 P CA -0.511 62.600 63.100 0.019 0.000 0.788 182 P CB 0.939 32.654 31.700 0.026 0.000 1.139 183 R N 0.081 120.623 120.500 0.069 0.000 2.491 183 R HA 0.343 4.684 4.340 0.002 0.000 0.283 183 R C 0.489 176.841 176.300 0.086 0.000 1.072 183 R CA 0.089 56.247 56.100 0.098 0.000 1.048 183 R CB 0.175 30.559 30.300 0.140 0.000 0.983 183 R HN 0.460 nan 8.270 nan 0.000 0.450 184 S N 0.413 116.166 115.700 0.090 0.000 2.718 184 S HA 0.296 4.767 4.470 0.002 0.000 0.300 184 S C 0.042 174.721 174.600 0.131 0.000 1.117 184 S CA -0.864 57.391 58.200 0.091 0.000 1.002 184 S CB 1.677 64.918 63.200 0.068 0.000 1.092 184 S HN 0.677 nan 8.310 nan 0.000 0.542 185 T N -0.982 113.656 114.554 0.140 0.000 2.813 185 T HA 0.265 4.616 4.350 0.002 0.000 0.297 185 T C 1.388 176.226 174.700 0.230 0.000 1.036 185 T CA -0.683 61.522 62.100 0.175 0.000 1.044 185 T CB 0.326 69.290 68.868 0.160 0.000 0.993 185 T HN 0.178 nan 8.240 nan 0.000 0.535 186 V N 1.929 122.013 119.914 0.284 0.000 2.332 186 V HA -0.154 3.967 4.120 0.002 0.000 0.248 186 V C 3.088 179.504 176.094 0.536 0.000 1.055 186 V CA 2.370 64.914 62.300 0.408 0.000 1.038 186 V CB -1.667 30.424 31.823 0.446 0.000 0.651 186 V HN 1.095 nan 8.190 nan 0.000 0.450 187 A N -0.863 122.242 122.820 0.474 0.000 1.883 187 A HA -0.331 3.990 4.320 0.002 0.000 0.217 187 A C 2.164 179.974 177.584 0.377 0.000 1.186 187 A CA 2.201 54.548 52.037 0.517 0.000 0.624 187 A CB -0.557 18.681 19.000 0.397 0.000 0.822 187 A HN 0.632 nan 8.150 nan 0.000 0.444 188 Q N -0.807 119.156 119.800 0.273 0.000 2.124 188 Q HA -0.117 4.224 4.340 0.002 0.000 0.202 188 Q C 2.421 178.553 176.000 0.220 0.000 0.977 188 Q CA 1.416 57.344 55.803 0.208 0.000 0.850 188 Q CB -0.389 28.437 28.738 0.147 0.000 0.901 188 Q HN 0.712 nan 8.270 nan 0.000 0.429 189 A N -0.019 122.938 122.820 0.229 0.000 1.873 189 A HA -0.190 4.131 4.320 0.002 0.000 0.215 189 A C 1.715 179.392 177.584 0.155 0.000 1.186 189 A CA 1.179 53.330 52.037 0.190 0.000 0.616 189 A CB -0.870 18.207 19.000 0.128 0.000 0.823 189 A HN 0.376 nan 8.150 nan 0.000 0.442 190 Y N 0.792 121.159 120.300 0.112 0.000 2.165 190 Y HA -0.251 4.301 4.550 0.002 0.000 0.286 190 Y C 2.335 178.138 175.900 -0.161 0.000 1.155 190 Y CA 1.795 59.842 58.100 -0.088 0.000 1.164 190 Y CB -0.298 38.008 38.460 -0.257 0.000 0.978 190 Y HN 0.331 nan 8.280 nan 0.000 0.513 191 D N -0.570 119.903 120.400 0.121 0.000 2.116 191 D HA -0.232 4.409 4.640 0.002 0.000 0.193 191 D C 1.960 178.314 176.300 0.089 0.000 0.998 191 D CA 1.485 55.538 54.000 0.088 0.000 0.836 191 D CB -0.801 40.090 40.800 0.152 0.000 0.951 191 D HN 0.323 nan 8.370 nan 0.000 0.449 192 F N 1.064 121.020 119.950 0.011 0.000 2.113 192 F HA -0.072 4.457 4.527 0.003 0.000 0.297 192 F C 2.159 177.935 175.800 -0.040 0.000 1.103 192 F CA 0.951 58.955 58.000 0.007 0.000 1.248 192 F CB -0.403 38.619 39.000 0.037 0.000 0.999 192 F HN -0.135 nan 8.300 nan 0.000 0.475 193 I N 0.303 120.716 120.570 -0.262 0.000 2.163 193 I HA -0.339 3.832 4.170 0.002 0.000 0.243 193 I C 2.401 178.264 176.117 -0.423 0.000 1.085 193 I CA 1.739 62.787 61.300 -0.419 0.000 1.347 193 I CB -0.488 37.343 38.000 -0.280 0.000 1.044 193 I HN 0.170 nan 8.210 nan 0.000 0.408 194 I N 0.169 120.552 120.570 -0.312 0.000 2.202 194 I HA -0.254 3.917 4.170 0.002 0.000 0.242 194 I C 2.484 178.454 176.117 -0.244 0.000 1.091 194 I CA 1.403 62.527 61.300 -0.293 0.000 1.368 194 I CB -0.350 37.529 38.000 -0.203 0.000 1.058 194 I HN 0.205 nan 8.210 nan 0.000 0.410 195 E N 0.200 120.281 120.200 -0.198 0.000 2.077 195 E HA -0.198 4.153 4.350 0.002 0.000 0.193 195 E C 2.151 178.615 176.600 -0.227 0.000 0.989 195 E CA 1.886 58.195 56.400 -0.152 0.000 0.800 195 E CB -0.064 29.588 29.700 -0.079 0.000 0.746 195 E HN 0.457 nan 8.360 nan 0.000 0.452 196 T N 1.341 115.659 114.554 -0.393 0.000 2.708 196 T HA -0.157 4.194 4.350 0.002 0.000 0.266 196 T C 1.741 176.241 174.700 -0.333 0.000 1.037 196 T CA 0.816 62.655 62.100 -0.435 0.000 1.146 196 T CB -0.187 68.220 68.868 -0.769 0.000 0.865 196 T HN 0.013 nan 8.240 nan 0.000 0.435 197 L N 1.164 122.178 121.223 -0.349 0.000 2.109 197 L HA 0.071 4.412 4.340 0.002 0.000 0.207 197 L C 2.284 179.005 176.870 -0.249 0.000 1.086 197 L CA 1.592 56.247 54.840 -0.309 0.000 0.760 197 L CB -0.741 41.101 42.059 -0.361 0.000 0.910 197 L HN 0.281 nan 8.230 nan 0.000 0.437 198 E N -0.725 119.344 120.200 -0.218 0.000 2.085 198 E HA -0.290 4.061 4.350 0.002 0.000 0.194 198 E C 2.003 178.527 176.600 -0.126 0.000 0.994 198 E CA 1.472 57.788 56.400 -0.140 0.000 0.801 198 E CB -0.083 29.572 29.700 -0.075 0.000 0.743 198 E HN 0.576 nan 8.360 nan 0.000 0.453 199 E N 0.579 120.699 120.200 -0.134 0.000 2.072 199 E HA -0.187 4.164 4.350 0.002 0.000 0.191 199 E C 2.097 178.618 176.600 -0.132 0.000 0.985 199 E CA 0.862 57.192 56.400 -0.117 0.000 0.801 199 E CB -0.066 29.570 29.700 -0.107 0.000 0.750 199 E HN 0.215 nan 8.360 nan 0.000 0.452 200 A N 0.719 123.440 122.820 -0.166 0.000 1.892 200 A HA -0.203 4.118 4.320 0.002 0.000 0.218 200 A C 2.436 179.929 177.584 -0.151 0.000 1.188 200 A CA 1.781 53.717 52.037 -0.168 0.000 0.631 200 A CB -0.971 17.908 19.000 -0.202 0.000 0.822 200 A HN 0.247 nan 8.150 nan 0.000 0.447 201 V N 0.662 120.480 119.914 -0.160 0.000 2.332 201 V HA -0.279 3.842 4.120 0.002 0.000 0.248 201 V C 3.008 179.024 176.094 -0.130 0.000 1.055 201 V CA 2.567 64.773 62.300 -0.156 0.000 1.038 201 V CB -1.426 30.298 31.823 -0.166 0.000 0.651 201 V HN 0.893 nan 8.190 nan 0.000 0.450 202 T N -2.272 112.216 114.554 -0.111 0.000 2.915 202 T HA 0.023 4.374 4.350 0.002 0.000 0.269 202 T C 0.832 175.481 174.700 -0.085 0.000 1.071 202 T CA 0.642 62.687 62.100 -0.091 0.000 1.132 202 T CB -0.329 68.494 68.868 -0.074 0.000 0.878 202 T HN 0.294 nan 8.240 nan 0.000 0.479 206 E N 1.116 121.338 120.200 0.035 0.000 2.371 206 E HA 0.008 4.359 4.350 0.002 0.000 0.194 206 E C 0.448 177.166 176.600 0.196 0.000 1.012 206 E CA 0.112 56.600 56.400 0.146 0.000 0.860 206 E CB 0.135 29.928 29.700 0.156 0.000 0.811 206 E HN 0.667 nan 8.360 nan 0.000 0.502 207 E N 2.059 122.315 120.200 0.093 0.000 2.481 207 E HA -0.070 4.281 4.350 0.002 0.000 0.263 207 E C -0.588 176.050 176.600 0.062 0.000 0.992 207 E CA 0.279 56.713 56.400 0.056 0.000 0.938 207 E CB 0.539 30.247 29.700 0.014 0.000 0.933 207 E HN -0.115 nan 8.360 nan 0.000 0.453 208 K N 2.944 123.360 120.400 0.027 0.000 2.298 208 K HA 0.156 4.477 4.320 0.002 0.000 0.280 208 K C -0.419 176.156 176.600 -0.042 0.000 1.032 208 K CA -0.332 55.966 56.287 0.017 0.000 0.958 208 K CB 0.590 33.068 32.500 -0.036 0.000 0.978 208 K HN 0.321 nan 8.250 nan 0.000 0.472 209 N N 2.761 121.425 118.700 -0.060 0.000 2.609 209 N HA 0.109 4.850 4.740 0.002 0.000 0.268 209 N C -1.459 173.930 175.510 -0.201 0.000 1.106 209 N CA -0.548 52.423 53.050 -0.132 0.000 0.823 209 N CB 0.441 38.856 38.487 -0.120 0.000 1.263 209 N HN 0.416 nan 8.380 nan 0.000 0.533 210 N N 1.461 119.947 118.700 -0.357 0.000 2.447 210 N HA 0.279 5.020 4.740 0.002 0.000 0.263 210 N C 1.268 176.478 175.510 -0.500 0.000 1.226 210 N CA 1.438 54.070 53.050 -0.697 0.000 0.906 210 N CB 0.881 38.416 38.487 -1.587 0.000 1.060 210 N HN 0.826 nan 8.380 nan 0.000 0.468 211 G N 1.562 110.322 108.800 -0.068 0.000 2.195 211 G HA2 -0.231 3.730 3.960 0.002 0.000 0.224 211 G HA3 -0.231 3.730 3.960 0.002 0.000 0.224 211 G C 0.275 175.187 174.900 0.019 0.000 0.990 211 G CA -0.236 44.955 45.100 0.151 0.000 0.639 211 G HN 0.583 nan 8.290 nan 0.000 0.514 215 K N -0.743 119.650 120.400 -0.013 0.000 2.103 215 K HA -0.078 4.243 4.320 0.002 0.000 0.207 215 K C 1.224 177.708 176.600 -0.194 0.000 1.048 215 K CA 1.516 57.726 56.287 -0.128 0.000 0.930 215 K CB -0.382 32.014 32.500 -0.173 0.000 0.716 215 K HN 0.445 nan 8.250 nan 0.000 0.444 216 Y N 0.359 120.575 120.300 -0.140 0.000 2.145 216 Y HA -0.235 4.316 4.550 0.002 0.000 0.286 216 Y C 2.424 177.936 175.900 -0.647 0.000 1.145 216 Y CA 1.421 59.312 58.100 -0.348 0.000 1.148 216 Y CB -0.459 37.872 38.460 -0.215 0.000 0.981 216 Y HN 0.192 nan 8.280 nan 0.000 0.507 217 A N 0.204 122.892 122.820 -0.221 0.000 1.883 217 A HA -0.221 4.100 4.320 0.002 0.000 0.217 217 A C 2.446 179.884 177.584 -0.245 0.000 1.186 217 A CA 2.126 54.043 52.037 -0.200 0.000 0.624 217 A CB -1.383 17.624 19.000 0.012 0.000 0.822 217 A HN 0.434 nan 8.150 nan 0.000 0.444 218 A N -0.312 122.375 122.820 -0.221 0.000 1.908 218 A HA -0.186 4.135 4.320 0.002 0.000 0.218 218 A C 2.239 179.660 177.584 -0.272 0.000 1.181 218 A CA 1.669 53.565 52.037 -0.235 0.000 0.627 218 A CB -0.460 18.413 19.000 -0.213 0.000 0.818 218 A HN 0.583 nan 8.150 nan 0.000 0.445 219 R N -0.531 119.790 120.500 -0.299 0.000 2.092 219 R HA 0.001 4.342 4.340 0.002 0.000 0.231 219 R C 2.473 178.592 176.300 -0.302 0.000 1.119 219 R CA 1.087 57.011 56.100 -0.292 0.000 0.970 219 R CB -0.458 29.662 30.300 -0.300 0.000 0.864 219 R HN 0.501 nan 8.270 nan 0.000 0.440 220 A N 1.385 123.963 122.820 -0.404 0.000 1.902 220 A HA -0.165 4.156 4.320 0.002 0.000 0.217 220 A C 2.082 179.557 177.584 -0.181 0.000 1.181 220 A CA 1.138 52.979 52.037 -0.326 0.000 0.623 220 A CB -0.479 18.222 19.000 -0.499 0.000 0.818 220 A HN 0.234 nan 8.150 nan 0.000 0.443 221 L N -0.788 120.313 121.223 -0.202 0.000 2.046 221 L HA -0.103 4.238 4.340 0.002 0.000 0.208 221 L C 2.219 178.890 176.870 -0.332 0.000 1.077 221 L CA 1.990 56.699 54.840 -0.218 0.000 0.747 221 L CB -0.679 41.251 42.059 -0.215 0.000 0.896 221 L HN 0.339 nan 8.230 nan 0.000 0.432 222 L N -0.031 120.976 121.223 -0.360 0.000 2.046 222 L HA -0.103 4.238 4.340 0.002 0.000 0.208 222 L C 2.504 179.097 176.870 -0.462 0.000 1.077 222 L CA 2.083 56.618 54.840 -0.507 0.000 0.747 222 L CB -1.187 40.578 42.059 -0.490 0.000 0.896 222 L HN 0.309 nan 8.230 nan 0.000 0.432 223 A N -0.425 122.279 122.820 -0.192 0.000 1.902 223 A HA -0.250 4.071 4.320 0.002 0.000 0.217 223 A C 2.551 180.168 177.584 0.056 0.000 1.181 223 A CA 1.771 53.825 52.037 0.027 0.000 0.623 223 A CB -0.679 18.329 19.000 0.015 0.000 0.818 223 A HN 0.514 nan 8.150 nan 0.000 0.443 224 R N -0.225 120.266 120.500 -0.016 0.000 2.083 224 R HA -0.116 4.225 4.340 0.002 0.000 0.237 224 R C 1.957 178.273 176.300 0.026 0.000 1.137 224 R CA 1.958 58.099 56.100 0.069 0.000 0.951 224 R CB -0.413 29.895 30.300 0.012 0.000 0.851 224 R HN 0.546 nan 8.270 nan 0.000 0.434 225 I N 0.103 120.496 120.570 -0.295 0.000 2.252 225 I HA -0.275 3.896 4.170 0.002 0.000 0.245 225 I C 1.938 178.100 176.117 0.075 0.000 1.102 225 I CA 1.000 62.099 61.300 -0.335 0.000 1.385 225 I CB -0.374 37.218 38.000 -0.680 0.000 1.064 225 I HN 0.172 nan 8.210 nan 0.000 0.414 226 Y N 0.311 120.631 120.300 0.032 0.000 2.151 226 Y HA -0.291 4.261 4.550 0.002 0.000 0.284 226 Y C 2.363 178.362 175.900 0.164 0.000 1.166 226 Y CA 1.341 59.498 58.100 0.094 0.000 1.163 226 Y CB -0.917 37.575 38.460 0.052 0.000 0.974 226 Y HN 0.122 nan 8.280 nan 0.000 0.511 227 L N -1.324 120.116 121.223 0.361 0.000 2.017 227 L HA -0.233 4.108 4.340 0.002 0.000 0.208 227 L C 2.024 179.098 176.870 0.341 0.000 1.073 227 L CA 1.730 56.759 54.840 0.316 0.000 0.745 227 L CB -0.993 41.252 42.059 0.310 0.000 0.894 227 L HN 0.144 nan 8.230 nan 0.000 0.432 228 Y N -1.157 119.293 120.300 0.250 0.000 2.256 228 Y HA -0.255 4.296 4.550 0.002 0.000 0.288 228 Y C 2.581 178.574 175.900 0.154 0.000 1.155 228 Y CA 1.926 60.212 58.100 0.309 0.000 1.203 228 Y CB -0.603 38.176 38.460 0.533 0.000 0.980 228 Y HN 0.390 nan 8.280 nan 0.000 0.530 229 H N -0.549 118.547 119.070 0.043 0.000 2.539 229 H HA -0.025 4.532 4.556 0.002 0.000 0.267 229 H C 0.283 175.526 175.328 -0.142 0.000 0.982 229 H CA 0.487 56.266 56.048 -0.448 0.000 1.146 229 H CB 0.101 29.625 29.762 -0.396 0.000 1.382 229 H HN 0.211 nan 8.280 nan 0.000 0.577 230 D N 1.119 121.552 120.400 0.056 0.000 3.059 230 D HA -0.163 4.478 4.640 0.002 0.000 0.220 230 D C -0.769 175.552 176.300 0.036 0.000 1.169 230 D CA 0.753 54.791 54.000 0.063 0.000 0.902 230 D CB -1.273 39.573 40.800 0.078 0.000 1.116 230 D HN 0.498 nan 8.370 nan 0.000 0.417 231 D N 0.221 120.668 120.400 0.077 0.000 2.619 231 D HA 0.132 4.773 4.640 0.002 0.000 0.224 231 D C 1.310 177.636 176.300 0.043 0.000 1.133 231 D CA -0.198 53.831 54.000 0.049 0.000 1.017 231 D CB -0.473 40.374 40.800 0.079 0.000 1.077 231 D HN 0.441 nan 8.370 nan 0.000 0.503 232 N N 0.609 119.341 118.700 0.054 0.000 2.166 232 N HA -0.188 4.553 4.740 0.002 0.000 0.186 232 N C 1.878 177.440 175.510 0.086 0.000 1.019 232 N CA 0.696 53.796 53.050 0.083 0.000 0.856 232 N CB 0.184 38.710 38.487 0.066 0.000 0.993 232 N HN 0.060 nan 8.380 nan 0.000 0.426 233 R N 1.850 122.370 120.500 0.033 0.000 2.073 233 R HA 0.001 4.342 4.340 0.002 0.000 0.234 233 R C 1.533 177.840 176.300 0.012 0.000 1.134 233 R CA 1.555 57.681 56.100 0.043 0.000 0.952 233 R CB -0.101 30.199 30.300 -0.000 0.000 0.850 233 R HN 0.156 nan 8.270 nan 0.000 0.433 234 K N -0.291 120.016 120.400 -0.154 0.000 2.057 234 K HA -0.073 4.248 4.320 0.002 0.000 0.207 234 K C 2.100 178.552 176.600 -0.247 0.000 1.049 234 K CA 1.455 57.492 56.287 -0.416 0.000 0.931 234 K CB -0.272 31.591 32.500 -1.061 0.000 0.714 234 K HN 0.264 nan 8.250 nan 0.000 0.440 235 A N 1.359 124.157 122.820 -0.036 0.000 1.877 235 A HA -0.192 4.129 4.320 0.002 0.000 0.216 235 A C 2.037 179.697 177.584 0.127 0.000 1.186 235 A CA 1.322 53.461 52.037 0.170 0.000 0.620 235 A CB -0.740 18.395 19.000 0.225 0.000 0.822 235 A HN 0.356 nan 8.150 nan 0.000 0.443 236 F N 1.241 121.214 119.950 0.038 0.000 2.075 236 F HA -0.188 4.340 4.527 0.002 0.000 0.297 236 F C 1.809 177.627 175.800 0.029 0.000 1.113 236 F CA 2.218 60.248 58.000 0.049 0.000 1.218 236 F CB -0.235 38.801 39.000 0.060 0.000 0.984 236 F HN 0.233 nan 8.300 nan 0.000 0.472 237 D N 0.355 120.778 120.400 0.039 0.000 2.117 237 D HA -0.161 4.480 4.640 0.002 0.000 0.197 237 D C 2.214 178.433 176.300 -0.136 0.000 0.987 237 D CA 1.293 55.266 54.000 -0.045 0.000 0.829 237 D CB -0.603 40.222 40.800 0.043 0.000 0.961 237 D HN 0.314 nan 8.370 nan 0.000 0.460 238 L N 0.874 122.049 121.223 -0.080 0.000 2.027 238 L HA 0.011 4.352 4.340 0.002 0.000 0.206 238 L C 2.102 178.889 176.870 -0.138 0.000 1.074 238 L CA 1.657 56.463 54.840 -0.058 0.000 0.745 238 L CB -0.898 41.210 42.059 0.080 0.000 0.898 238 L HN -0.034 nan 8.230 nan 0.000 0.433 239 A N -0.740 121.975 122.820 -0.176 0.000 1.902 239 A HA -0.281 4.040 4.320 0.002 0.000 0.217 239 A C 2.084 179.430 177.584 -0.397 0.000 1.181 239 A CA 1.863 53.751 52.037 -0.248 0.000 0.623 239 A CB -1.052 17.819 19.000 -0.215 0.000 0.818 239 A HN 0.590 nan 8.150 nan 0.000 0.443 240 D N -1.267 118.828 120.400 -0.509 0.000 2.104 240 D HA -0.223 4.418 4.640 0.002 0.000 0.194 240 D C 2.084 178.242 176.300 -0.237 0.000 0.994 240 D CA 1.787 55.514 54.000 -0.455 0.000 0.830 240 D CB -0.111 40.335 40.800 -0.590 0.000 0.959 240 D HN 0.397 nan 8.370 nan 0.000 0.452 241 Q N -0.535 119.156 119.800 -0.182 0.000 2.172 241 Q HA -0.011 4.330 4.340 0.002 0.000 0.200 241 Q C 1.926 177.877 176.000 -0.082 0.000 0.964 241 Q CA 0.754 56.498 55.803 -0.098 0.000 0.855 241 Q CB -0.456 28.234 28.738 -0.080 0.000 0.918 241 Q HN 0.402 nan 8.270 nan 0.000 0.444 242 L N -0.215 120.938 121.223 -0.117 0.000 2.046 242 L HA -0.054 4.287 4.340 0.002 0.000 0.208 242 L C 1.898 178.770 176.870 0.004 0.000 1.077 242 L CA 1.616 56.415 54.840 -0.067 0.000 0.747 242 L CB -0.472 41.507 42.059 -0.133 0.000 0.896 242 L HN 0.339 nan 8.230 nan 0.000 0.432 243 I N -0.668 119.824 120.570 -0.130 0.000 2.226 243 I HA -0.320 3.851 4.170 0.002 0.000 0.245 243 I C 2.401 178.517 176.117 -0.002 0.000 1.100 243 I CA 1.369 62.578 61.300 -0.151 0.000 1.374 243 I CB -0.337 37.312 38.000 -0.584 0.000 1.057 243 I HN 0.228 nan 8.210 nan 0.000 0.413 244 K N 0.522 120.920 120.400 -0.003 0.000 2.057 244 K HA -0.185 4.136 4.320 0.002 0.000 0.207 244 K C 1.715 178.368 176.600 0.089 0.000 1.049 244 K CA 1.622 57.942 56.287 0.054 0.000 0.931 244 K CB -0.185 32.338 32.500 0.039 0.000 0.714 244 K HN 0.266 nan 8.250 nan 0.000 0.440 245 D N 0.683 121.146 120.400 0.105 0.000 2.117 245 D HA -0.120 4.521 4.640 0.002 0.000 0.198 245 D C 1.867 178.339 176.300 0.286 0.000 0.982 245 D CA 1.265 55.371 54.000 0.177 0.000 0.828 245 D CB -0.287 40.608 40.800 0.158 0.000 0.967 245 D HN 0.191 nan 8.370 nan 0.000 0.464 246 A N 0.948 123.962 122.820 0.322 0.000 1.917 246 A HA -0.255 4.066 4.320 0.002 0.000 0.219 246 A C 1.999 179.682 177.584 0.165 0.000 1.182 246 A CA 2.224 54.428 52.037 0.277 0.000 0.633 246 A CB -0.693 18.486 19.000 0.300 0.000 0.819 246 A HN 0.187 nan 8.150 nan 0.000 0.448 247 D N -0.816 119.672 120.400 0.146 0.000 2.097 247 D HA -0.134 4.507 4.640 0.002 0.000 0.197 247 D C 2.258 178.610 176.300 0.086 0.000 0.984 247 D CA 2.371 56.437 54.000 0.111 0.000 0.826 247 D CB -0.177 40.692 40.800 0.116 0.000 0.973 247 D HN 0.499 nan 8.370 nan 0.000 0.460 248 T N -2.050 112.560 114.554 0.092 0.000 2.821 248 T HA -0.141 4.210 4.350 0.002 0.000 0.267 248 T C 2.102 176.843 174.700 0.068 0.000 1.046 248 T CA 1.676 63.819 62.100 0.073 0.000 1.139 248 T CB -0.729 68.181 68.868 0.069 0.000 0.871 248 T HN 0.145 nan 8.240 nan 0.000 0.454 249 S N 0.938 116.693 115.700 0.091 0.000 2.436 249 S HA 0.330 4.801 4.470 0.002 0.000 0.228 249 S C 2.146 176.757 174.600 0.017 0.000 1.014 249 S CA 0.638 58.881 58.200 0.071 0.000 0.950 249 S CB -0.982 62.297 63.200 0.132 0.000 0.784 249 S HN 1.333 nan 8.310 nan 0.000 0.504 250 G N 1.224 110.032 108.800 0.013 0.000 2.155 250 G HA2 -0.348 3.613 3.960 0.002 0.000 0.257 250 G HA3 -0.348 3.613 3.960 0.002 0.000 0.257 250 G C 0.993 175.825 174.900 -0.112 0.000 0.983 250 G CA 0.959 46.042 45.100 -0.029 0.000 0.676 250 G HN 1.250 nan 8.290 nan 0.000 0.528 251 S N -1.555 114.042 115.700 -0.171 0.000 2.436 251 S HA 0.362 4.833 4.470 0.002 0.000 0.228 251 S C 0.692 174.791 174.600 -0.835 0.000 1.014 251 S CA 1.004 58.925 58.200 -0.466 0.000 0.950 251 S CB 0.119 63.007 63.200 -0.520 0.000 0.784 251 S HN 0.698 nan 8.310 nan 0.000 0.504 252 Y N 0.233 120.426 120.300 -0.179 0.000 2.534 252 Y HA 0.754 5.305 4.550 0.002 0.000 0.345 252 Y C -0.057 175.760 175.900 -0.139 0.000 1.031 252 Y CA -0.840 57.142 58.100 -0.196 0.000 1.022 252 Y CB 2.014 40.329 38.460 -0.243 0.000 1.292 252 Y HN 0.279 nan 8.280 nan 0.000 0.459 253 A N 1.901 124.695 122.820 -0.044 0.000 2.604 253 A HA 0.693 5.014 4.320 0.002 0.000 0.295 253 A C -1.810 175.625 177.584 -0.247 0.000 1.067 253 A CA -0.846 51.142 52.037 -0.081 0.000 0.683 253 A CB 1.139 20.102 19.000 -0.061 0.000 1.281 253 A HN 0.732 nan 8.150 nan 0.000 0.407 254 L N 1.797 122.888 121.223 -0.220 0.000 2.453 254 L HA 0.179 4.520 4.340 0.002 0.000 0.272 254 L C -0.571 176.138 176.870 -0.267 0.000 1.182 254 L CA -0.308 54.335 54.840 -0.329 0.000 0.858 254 L CB 0.141 42.039 42.059 -0.269 0.000 1.120 254 L HN 0.688 nan 8.230 nan 0.000 0.474 255 Y N 3.305 123.587 120.300 -0.029 0.000 2.632 255 Y HA 0.099 4.650 4.550 0.002 0.000 0.329 255 Y C -1.756 174.184 175.900 0.067 0.000 1.174 255 Y CA -2.546 55.555 58.100 0.002 0.000 1.469 255 Y CB -0.738 37.710 38.460 -0.019 0.000 1.242 255 Y HN 0.391 nan 8.280 nan 0.000 0.540 256 P HA -0.003 nan 4.420 nan 0.000 0.270 256 P C 0.652 178.077 177.300 0.208 0.000 1.223 256 P CA 0.034 63.231 63.100 0.162 0.000 0.785 256 P CB 0.689 32.462 31.700 0.121 0.000 0.923 257 H N 2.007 121.123 119.070 0.077 0.000 2.292 257 H HA -0.249 4.308 4.556 0.002 0.000 0.292 257 H C 1.154 176.538 175.328 0.094 0.000 1.100 257 H CA 2.627 58.703 56.048 0.047 0.000 1.238 257 H CB -0.022 29.741 29.762 0.001 0.000 1.355 257 H HN 0.461 nan 8.280 nan 0.000 0.484 258 E N -0.092 120.205 120.200 0.161 0.000 2.347 258 E HA -0.040 4.311 4.350 0.002 0.000 0.196 258 E C 1.298 177.936 176.600 0.062 0.000 1.008 258 E CA 0.794 57.257 56.400 0.104 0.000 0.852 258 E CB 0.223 29.998 29.700 0.126 0.000 0.783 258 E HN 0.415 nan 8.360 nan 0.000 0.505 259 K N -0.657 119.790 120.400 0.078 0.000 2.374 259 K HA 0.116 4.437 4.320 0.002 0.000 0.202 259 K C 0.929 177.531 176.600 0.004 0.000 1.040 259 K CA -0.177 56.130 56.287 0.034 0.000 1.085 259 K CB 0.182 32.706 32.500 0.040 0.000 0.873 259 K HN 0.169 nan 8.250 nan 0.000 0.539 260 Y N 1.923 122.190 120.300 -0.056 0.000 2.114 260 Y HA -0.267 4.284 4.550 0.002 0.000 0.284 260 Y C 2.050 177.946 175.900 -0.006 0.000 1.143 260 Y CA 1.431 59.509 58.100 -0.037 0.000 1.135 260 Y CB -0.146 38.319 38.460 0.009 0.000 0.980 260 Y HN -0.240 nan 8.280 nan 0.000 0.499 261 V N 0.287 120.288 119.914 0.145 0.000 2.295 261 V HA -0.342 3.779 4.120 0.002 0.000 0.246 261 V C 2.615 178.686 176.094 -0.039 0.000 1.049 261 V CA 1.884 64.243 62.300 0.099 0.000 1.024 261 V CB -1.569 30.317 31.823 0.104 0.000 0.648 261 V HN 0.561 nan 8.190 nan 0.000 0.447 262 A N -0.128 122.637 122.820 -0.093 0.000 2.070 262 A HA -0.052 4.269 4.320 0.002 0.000 0.220 262 A C 2.301 179.710 177.584 -0.291 0.000 1.159 262 A CA 1.715 53.663 52.037 -0.149 0.000 0.656 262 A CB -0.583 18.352 19.000 -0.109 0.000 0.800 262 A HN 0.594 nan 8.150 nan 0.000 0.453 263 A N -1.877 120.634 122.820 -0.514 0.000 2.119 263 A HA -0.028 4.293 4.320 0.002 0.000 0.217 263 A C 1.507 178.505 177.584 -0.977 0.000 1.153 263 A CA 0.750 52.213 52.037 -0.958 0.000 0.692 263 A CB -0.703 17.176 19.000 -1.869 0.000 0.799 263 A HN 0.751 nan 8.150 nan 0.000 0.458 264 W N 0.046 121.059 121.300 -0.479 0.000 3.353 264 W HA 0.338 4.999 4.660 0.001 0.000 0.304 264 W C 1.117 177.459 176.519 -0.296 0.000 1.273 264 W CA 0.182 57.303 57.345 -0.373 0.000 1.773 264 W CB 0.179 29.420 29.460 -0.365 0.000 1.095 264 W HN 0.191 nan 8.180 nan 0.000 0.676 265 S N 0.469 116.082 115.700 -0.144 0.000 2.584 265 S HA 0.116 4.587 4.470 0.002 0.000 0.273 265 S C 1.425 175.955 174.600 -0.116 0.000 1.311 265 S CA -0.306 57.824 58.200 -0.117 0.000 1.034 265 S CB 1.211 64.341 63.200 -0.117 0.000 0.939 265 S HN 0.172 nan 8.310 nan 0.000 0.513 266 V N 2.210 122.080 119.914 -0.072 0.000 2.828 266 V HA -0.057 4.064 4.120 0.002 0.000 0.260 266 V C 1.435 177.486 176.094 -0.071 0.000 1.101 266 V CA 1.881 64.141 62.300 -0.066 0.000 1.123 266 V CB -1.043 30.767 31.823 -0.021 0.000 0.704 266 V HN 0.896 nan 8.190 nan 0.000 0.493 267 E N 1.159 121.318 120.200 -0.069 0.000 2.489 267 E HA 0.390 4.741 4.350 0.002 0.000 0.193 267 E C 1.251 177.802 176.600 -0.081 0.000 1.057 267 E CA 0.604 56.968 56.400 -0.059 0.000 0.866 267 E CB 0.215 29.887 29.700 -0.046 0.000 0.916 267 E HN 0.736 nan 8.360 nan 0.000 0.500 268 A N 1.607 124.350 122.820 -0.128 0.000 2.795 268 A HA 0.190 4.511 4.320 0.002 0.000 0.282 268 A C -0.203 177.264 177.584 -0.195 0.000 0.964 268 A CA -0.512 51.432 52.037 -0.156 0.000 1.045 268 A CB 0.083 18.951 19.000 -0.221 0.000 1.174 268 A HN -0.077 nan 8.150 nan 0.000 0.493 269 K N -0.252 120.036 120.400 -0.188 0.000 2.319 269 K HA 0.352 4.673 4.320 0.002 0.000 0.265 269 K C -0.481 175.978 176.600 -0.235 0.000 1.000 269 K CA -0.209 55.850 56.287 -0.380 0.000 0.943 269 K CB 0.100 32.285 32.500 -0.526 0.000 0.950 269 K HN 0.339 nan 8.250 nan 0.000 0.485 270 F N -0.988 118.930 119.950 -0.052 0.000 3.039 270 F HA -0.207 4.321 4.527 0.001 0.000 0.287 270 F C 0.979 176.761 175.800 -0.030 0.000 0.956 270 F CA 0.638 58.622 58.000 -0.026 0.000 0.971 270 F CB -2.349 36.645 39.000 -0.010 0.000 0.943 270 F HN 0.757 nan 8.300 nan 0.000 0.766 271 G N 0.565 109.383 108.800 0.030 0.000 2.683 271 G HA2 0.334 4.295 3.960 0.002 0.000 0.260 271 G HA3 0.334 4.295 3.960 0.002 0.000 0.260 271 G C 0.948 175.916 174.900 0.112 0.000 1.238 271 G CA -0.052 45.097 45.100 0.082 0.000 0.934 271 G HN 0.674 nan 8.290 nan 0.000 0.534 272 S N -1.491 114.275 115.700 0.111 0.000 2.469 272 S HA -0.092 4.379 4.470 0.002 0.000 0.238 272 S C 1.538 176.028 174.600 -0.182 0.000 0.998 272 S CA 1.669 59.828 58.200 -0.068 0.000 0.957 272 S CB -0.122 63.019 63.200 -0.100 0.000 0.764 272 S HN 0.695 nan 8.310 nan 0.000 0.514 273 E N 0.971 120.923 120.200 -0.413 0.000 2.385 273 E HA 0.125 4.476 4.350 0.002 0.000 0.194 273 E C 0.303 176.616 176.600 -0.479 0.000 1.013 273 E CA 0.037 56.120 56.400 -0.529 0.000 0.866 273 E CB 0.165 29.436 29.700 -0.716 0.000 0.832 273 E HN 0.442 nan 8.360 nan 0.000 0.500 274 S N 0.207 115.795 115.700 -0.186 0.000 2.422 274 S HA 0.097 4.568 4.470 0.002 0.000 0.283 274 S C 0.485 175.074 174.600 -0.018 0.000 1.163 274 S CA -0.463 57.678 58.200 -0.098 0.000 1.054 274 S CB 0.018 63.247 63.200 0.048 0.000 0.967 274 S HN 0.019 nan 8.310 nan 0.000 0.499 275 F N 3.921 123.894 119.950 0.038 0.000 2.219 275 F HA 0.355 4.883 4.527 0.002 0.000 0.294 275 F C 0.594 176.539 175.800 0.241 0.000 1.086 275 F CA 0.084 58.082 58.000 -0.003 0.000 1.330 275 F CB 0.069 38.996 39.000 -0.121 0.000 1.047 275 F HN 0.599 nan 8.300 nan 0.000 0.495 276 F N 1.436 121.531 119.950 0.241 0.000 2.607 276 F HA 0.393 4.920 4.527 0.001 0.000 0.322 276 F C -0.784 175.109 175.800 0.154 0.000 1.176 276 F CA -1.838 56.268 58.000 0.178 0.000 0.977 276 F CB 0.883 39.961 39.000 0.130 0.000 1.242 276 F HN 0.165 nan 8.300 nan 0.000 0.465 277 E N 6.071 126.269 120.200 -0.003 0.000 2.367 277 E HA 0.501 4.852 4.350 0.002 0.000 0.273 277 E C -1.406 175.066 176.600 -0.214 0.000 0.903 277 E CA -1.073 55.179 56.400 -0.247 0.000 0.764 277 E CB 2.516 32.155 29.700 -0.102 0.000 1.252 277 E HN 0.368 nan 8.360 nan 0.000 0.446 278 I N 1.655 122.081 120.570 -0.240 0.000 2.471 278 I HA 0.174 4.345 4.170 0.002 0.000 0.286 278 I C 0.384 176.546 176.117 0.075 0.000 1.079 278 I CA -0.147 61.136 61.300 -0.028 0.000 1.398 278 I CB 0.357 38.366 38.000 0.015 0.000 1.403 278 I HN 0.672 nan 8.210 nan 0.000 0.530 279 A N 6.799 129.729 122.820 0.182 0.000 2.354 279 A HA 0.424 4.745 4.320 0.002 0.000 0.281 279 A C 0.127 177.793 177.584 0.136 0.000 1.174 279 A CA -0.309 51.857 52.037 0.214 0.000 0.828 279 A CB 0.099 19.287 19.000 0.314 0.000 1.099 279 A HN 0.752 nan 8.150 nan 0.000 0.516 280 N N 0.618 119.372 118.700 0.089 0.000 2.328 280 N HA 0.716 5.457 4.740 0.002 0.000 0.299 280 N C -0.623 174.927 175.510 0.066 0.000 1.179 280 N CA 0.211 53.307 53.050 0.077 0.000 0.793 280 N CB 2.139 40.665 38.487 0.066 0.000 1.366 280 N HN 0.819 nan 8.380 nan 0.000 0.493 281 S N -0.398 115.338 115.700 0.060 0.000 2.638 281 S HA 0.305 4.776 4.470 0.002 0.000 0.274 281 S C 0.517 175.140 174.600 0.039 0.000 1.157 281 S CA -0.448 57.782 58.200 0.050 0.000 0.826 281 S CB 0.862 64.094 63.200 0.054 0.000 1.139 281 S HN 0.254 nan 8.310 nan 0.000 0.474 282 V N 0.825 120.759 119.914 0.032 0.000 2.490 282 V HA -0.073 4.049 4.120 0.002 0.000 0.250 282 V C 1.063 177.167 176.094 0.017 0.000 1.061 282 V CA 2.420 64.734 62.300 0.024 0.000 1.064 282 V CB -0.806 31.030 31.823 0.022 0.000 0.670 282 V HN 0.878 nan 8.190 nan 0.000 0.461 283 D N -0.328 120.085 120.400 0.022 0.000 2.340 283 D HA 0.119 4.760 4.640 0.002 0.000 0.220 283 D C 0.116 176.429 176.300 0.022 0.000 1.039 283 D CA 0.313 54.324 54.000 0.019 0.000 0.866 283 D CB 0.114 40.926 40.800 0.021 0.000 0.913 283 D HN 0.505 nan 8.370 nan 0.000 0.523 284 D N -0.150 120.267 120.400 0.029 0.000 2.269 284 D HA 0.186 4.827 4.640 0.002 0.000 0.244 284 D C 0.323 176.644 176.300 0.035 0.000 0.992 284 D CA -0.389 53.633 54.000 0.037 0.000 0.894 284 D CB 1.593 42.424 40.800 0.052 0.000 1.248 284 D HN -0.111 nan 8.370 nan 0.000 0.468 285 T N -1.257 113.320 114.554 0.038 0.000 2.898 285 T HA 0.481 4.832 4.350 0.002 0.000 0.301 285 T C -2.297 172.443 174.700 0.066 0.000 1.049 285 T CA -1.286 60.840 62.100 0.042 0.000 1.095 285 T CB 0.788 69.681 68.868 0.042 0.000 0.976 285 T HN 0.100 nan 8.240 nan 0.000 0.539 286 P HA 0.362 nan 4.420 nan 0.000 0.279 286 P C 0.506 177.828 177.300 0.036 0.000 1.239 286 P CA -0.359 62.781 63.100 0.067 0.000 0.789 286 P CB 1.331 33.097 31.700 0.109 0.000 0.933 287 G N 2.477 111.265 108.800 -0.020 0.000 2.508 287 G HA2 0.036 3.997 3.960 0.002 0.000 0.217 287 G HA3 0.036 3.997 3.960 0.002 0.000 0.217 287 G C 1.182 175.933 174.900 -0.247 0.000 2.004 287 G CA -0.223 44.814 45.100 -0.105 0.000 0.750 287 G HN 0.355 nan 8.290 nan 0.000 0.730 288 R N 1.031 121.259 120.500 -0.453 0.000 2.235 288 R HA 0.014 4.355 4.340 0.002 0.000 0.213 288 R C 1.089 177.262 176.300 -0.213 0.000 1.059 288 R CA 1.269 56.821 56.100 -0.914 0.000 0.997 288 R CB 0.105 29.763 30.300 -1.070 0.000 0.884 288 R HN 0.511 nan 8.270 nan 0.000 0.462 289 D N -0.065 120.358 120.400 0.039 0.000 2.388 289 D HA -0.038 4.603 4.640 0.002 0.000 0.221 289 D C -0.030 176.398 176.300 0.213 0.000 1.133 289 D CA -0.254 53.869 54.000 0.205 0.000 0.831 289 D CB 0.043 40.965 40.800 0.202 0.000 0.962 289 D HN -0.055 nan 8.370 nan 0.000 0.502 290 S N -1.075 114.732 115.700 0.178 0.000 2.572 290 S HA 0.001 4.472 4.470 0.002 0.000 0.279 290 S C 1.198 176.005 174.600 0.344 0.000 1.341 290 S CA -0.898 57.445 58.200 0.238 0.000 1.043 290 S CB 0.831 64.137 63.200 0.178 0.000 0.887 290 S HN 0.441 nan 8.310 nan 0.000 0.516 291 W N 2.983 124.365 121.300 0.138 0.000 2.305 291 W HA -0.191 4.471 4.660 0.002 0.000 0.308 291 W C 1.958 178.537 176.519 0.099 0.000 1.226 291 W CA 1.302 58.717 57.345 0.117 0.000 1.253 291 W CB -0.719 28.777 29.460 0.060 0.000 1.146 291 W HN 0.979 nan 8.180 nan 0.000 0.507 292 G N -0.957 107.947 108.800 0.174 0.000 2.442 292 G HA2 -0.380 3.581 3.960 0.002 0.000 0.219 292 G HA3 -0.380 3.581 3.960 0.002 0.000 0.219 292 G C 1.149 176.092 174.900 0.071 0.000 1.141 292 G CA 1.174 46.315 45.100 0.068 0.000 0.763 292 G HN 0.438 nan 8.290 nan 0.000 0.554 293 Y N 0.591 120.881 120.300 -0.016 0.000 2.365 293 Y HA 0.250 4.802 4.550 0.002 0.000 0.293 293 Y C 2.586 178.423 175.900 -0.105 0.000 1.119 293 Y CA 0.551 58.599 58.100 -0.087 0.000 1.203 293 Y CB 0.079 38.455 38.460 -0.141 0.000 1.026 293 Y HN 0.072 nan 8.280 nan 0.000 0.549 294 L N -0.601 120.711 121.223 0.147 0.000 2.056 294 L HA -0.232 4.109 4.340 0.002 0.000 0.207 294 L C 2.078 178.855 176.870 -0.155 0.000 1.078 294 L CA 1.145 56.044 54.840 0.098 0.000 0.749 294 L CB -0.533 41.653 42.059 0.212 0.000 0.901 294 L HN 0.249 nan 8.230 nan 0.000 0.433 295 L N -0.736 120.296 121.223 -0.318 0.000 2.395 295 L HA -0.038 4.303 4.340 0.002 0.000 0.218 295 L C 1.134 177.881 176.870 -0.205 0.000 1.130 295 L CA 0.079 54.700 54.840 -0.366 0.000 0.826 295 L CB -0.371 41.347 42.059 -0.567 0.000 0.941 295 L HN 0.330 nan 8.230 nan 0.000 0.451 296 N N 0.206 118.741 118.700 -0.276 0.000 2.497 296 N HA -0.128 4.613 4.740 0.002 0.000 0.271 296 N C 0.725 175.749 175.510 -0.810 0.000 1.142 296 N CA -0.134 52.628 53.050 -0.479 0.000 0.965 296 N CB 0.911 39.195 38.487 -0.338 0.000 1.077 296 N HN 0.257 nan 8.380 nan 0.000 0.462 297 W N 4.601 124.845 121.300 -1.760 0.000 2.342 297 W HA -0.206 4.455 4.660 0.002 0.000 0.297 297 W C 0.126 175.959 176.519 -1.143 0.000 1.213 297 W CA 1.235 57.630 57.345 -1.583 0.000 1.251 297 W CB -0.029 28.006 29.460 -2.375 0.000 1.136 297 W HN 0.677 nan 8.180 nan 0.000 0.526 298 Y N 0.054 120.023 120.300 -0.553 0.000 2.490 298 Y HA 0.171 4.722 4.550 0.002 0.000 0.281 298 Y C 2.094 177.688 175.900 -0.510 0.000 1.174 298 Y CA 0.772 58.641 58.100 -0.386 0.000 1.295 298 Y CB -0.735 37.583 38.460 -0.238 0.000 1.062 298 Y HN -0.152 nan 8.280 nan 0.000 0.522 299 G N -1.235 107.174 108.800 -0.653 0.000 3.380 299 G HA2 -0.040 3.921 3.960 0.002 0.000 0.188 299 G HA3 -0.040 3.921 3.960 0.002 0.000 0.188 299 G C 0.244 174.819 174.900 -0.542 0.000 1.892 299 G CA -0.016 44.367 45.100 -1.195 0.000 0.912 299 G HN 0.103 nan 8.290 nan 0.000 0.609 300 Y N 0.439 120.522 120.300 -0.362 0.000 2.482 300 Y HA 0.253 4.804 4.550 0.002 0.000 0.270 300 Y C 1.630 177.354 175.900 -0.293 0.000 1.152 300 Y CA 0.016 58.022 58.100 -0.157 0.000 1.292 300 Y CB -0.144 38.336 38.460 0.033 0.000 1.070 300 Y HN 0.482 nan 8.280 nan 0.000 0.528 301 Q N 0.748 120.375 119.800 -0.289 0.000 2.451 301 Q HA -0.265 4.076 4.340 0.002 0.000 0.305 301 Q C 0.647 176.384 176.000 -0.438 0.000 1.345 301 Q CA 0.266 55.792 55.803 -0.462 0.000 0.854 301 Q CB -0.263 28.091 28.738 -0.639 0.000 1.162 301 Q HN 0.187 nan 8.270 nan 0.000 0.440 302 K N -1.123 119.078 120.400 -0.333 0.000 2.365 302 K HA 0.166 4.488 4.320 0.002 0.000 0.197 302 K C 0.850 177.169 176.600 -0.468 0.000 1.042 302 K CA 1.278 57.380 56.287 -0.307 0.000 0.987 302 K CB 0.770 33.197 32.500 -0.121 0.000 0.779 302 K HN 0.463 nan 8.250 nan 0.000 0.484 303 G N 0.096 108.535 108.800 -0.601 0.000 2.646 303 G HA2 0.541 4.502 3.960 0.002 0.000 0.291 303 G HA3 0.541 4.502 3.960 0.002 0.000 0.291 303 G C -1.600 172.952 174.900 -0.580 0.000 1.445 303 G CA -0.700 43.999 45.100 -0.668 0.000 0.814 303 G HN -0.090 nan 8.290 nan 0.000 0.495 304 F N -0.511 119.427 119.950 -0.020 0.000 2.620 304 F HA 0.685 5.214 4.527 0.002 0.000 0.320 304 F C 0.714 176.588 175.800 0.123 0.000 1.069 304 F CA -1.291 56.782 58.000 0.122 0.000 0.953 304 F CB 1.462 40.577 39.000 0.193 0.000 1.322 304 F HN 0.500 nan 8.300 nan 0.000 0.479 305 V N -0.736 119.414 119.914 0.393 0.000 3.096 305 V HA 0.506 4.627 4.120 0.002 0.000 0.306 305 V C 0.325 176.614 176.094 0.325 0.000 1.088 305 V CA -0.565 61.888 62.300 0.255 0.000 1.129 305 V CB 0.428 32.372 31.823 0.201 0.000 1.014 305 V HN 0.932 nan 8.190 nan 0.000 0.486 306 T N 0.710 115.345 114.554 0.134 0.000 2.828 306 T HA 0.244 4.595 4.350 0.002 0.000 0.290 306 T C 0.846 175.464 174.700 -0.137 0.000 1.019 306 T CA 0.605 62.622 62.100 -0.138 0.000 1.031 306 T CB 1.089 69.893 68.868 -0.107 0.000 1.001 306 T HN 0.898 nan 8.240 nan 0.000 0.531 307 Q N 0.527 120.022 119.800 -0.509 0.000 2.135 307 Q HA -0.164 4.177 4.340 0.002 0.000 0.204 307 Q C 2.280 178.228 176.000 -0.087 0.000 0.981 307 Q CA 1.654 57.346 55.803 -0.186 0.000 0.856 307 Q CB -0.207 28.416 28.738 -0.191 0.000 0.902 307 Q HN 0.720 nan 8.270 nan 0.000 0.425 308 K N -0.519 119.851 120.400 -0.050 0.000 2.032 308 K HA -0.237 4.084 4.320 0.002 0.000 0.209 308 K C 2.007 178.603 176.600 -0.006 0.000 1.048 308 K CA 1.724 58.011 56.287 -0.001 0.000 0.927 308 K CB -0.530 32.008 32.500 0.064 0.000 0.712 308 K HN 0.425 nan 8.250 nan 0.000 0.441 309 Y N 0.948 121.213 120.300 -0.058 0.000 2.200 309 Y HA -0.142 4.409 4.550 0.002 0.000 0.290 309 Y C 2.183 177.993 175.900 -0.150 0.000 1.137 309 Y CA 1.829 59.894 58.100 -0.058 0.000 1.163 309 Y CB -0.404 38.053 38.460 -0.005 0.000 0.988 309 Y HN 0.200 nan 8.280 nan 0.000 0.518 310 A N 0.315 123.061 122.820 -0.124 0.000 1.883 310 A HA -0.227 4.094 4.320 0.002 0.000 0.217 310 A C 2.075 179.313 177.584 -0.577 0.000 1.186 310 A CA 2.049 53.787 52.037 -0.498 0.000 0.624 310 A CB -0.768 17.704 19.000 -0.879 0.000 0.822 310 A HN 0.628 nan 8.150 nan 0.000 0.444 311 E N -0.185 119.768 120.200 -0.411 0.000 2.077 311 E HA -0.170 4.182 4.350 0.002 0.000 0.193 311 E C 1.492 177.941 176.600 -0.250 0.000 0.989 311 E CA 0.700 56.925 56.400 -0.291 0.000 0.800 311 E CB -0.177 29.426 29.700 -0.163 0.000 0.746 311 E HN 0.807 nan 8.360 nan 0.000 0.452 315 A N -0.596 122.146 122.820 -0.130 0.000 2.172 315 A HA -0.095 4.226 4.320 0.002 0.000 0.216 315 A C 0.765 178.308 177.584 -0.068 0.000 1.154 315 A CA 1.769 53.754 52.037 -0.086 0.000 0.701 315 A CB -0.233 18.715 19.000 -0.087 0.000 0.789 315 A HN 0.310 nan 8.150 nan 0.000 0.465 316 D N -1.295 119.058 120.400 -0.079 0.000 2.502 316 D HA 0.262 4.903 4.640 0.002 0.000 0.301 316 D C -1.940 174.339 176.300 -0.035 0.000 1.202 316 D CA -1.813 52.153 54.000 -0.057 0.000 0.878 316 D CB 0.937 41.694 40.800 -0.072 0.000 1.062 316 D HN 0.076 nan 8.370 nan 0.000 0.499 317 P HA 0.018 nan 4.420 nan 0.000 0.226 317 P C 1.354 178.720 177.300 0.110 0.000 1.153 317 P CA 0.409 63.539 63.100 0.051 0.000 0.777 317 P CB 0.295 32.020 31.700 0.043 0.000 0.794 318 G N -0.482 108.355 108.800 0.062 0.000 2.679 318 G HA2 -0.120 3.841 3.960 0.002 0.000 0.212 318 G HA3 -0.120 3.841 3.960 0.002 0.000 0.212 318 G C 0.447 175.388 174.900 0.069 0.000 1.137 318 G CA 0.029 45.179 45.100 0.083 0.000 0.787 318 G HN 0.228 nan 8.290 nan 0.000 0.534 319 D N 1.053 121.439 120.400 -0.023 0.000 2.316 319 D HA 0.148 4.789 4.640 0.002 0.000 0.245 319 D C 1.945 178.043 176.300 -0.336 0.000 1.171 319 D CA -0.370 53.569 54.000 -0.103 0.000 0.856 319 D CB 1.911 42.641 40.800 -0.116 0.000 1.090 319 D HN 0.033 nan 8.370 nan 0.000 0.476 320 V N 3.099 122.733 119.914 -0.466 0.000 2.867 320 V HA -0.164 3.958 4.120 0.002 0.000 0.260 320 V C 2.119 177.874 176.094 -0.565 0.000 1.099 320 V CA 1.019 62.785 62.300 -0.890 0.000 1.122 320 V CB -0.687 30.671 31.823 -0.775 0.000 0.708 320 V HN 0.422 nan 8.190 nan 0.000 0.490 321 R N 1.375 121.652 120.500 -0.372 0.000 2.148 321 R HA 0.023 4.364 4.340 0.002 0.000 0.227 321 R C 2.469 178.740 176.300 -0.048 0.000 1.103 321 R CA 1.296 57.317 56.100 -0.132 0.000 0.983 321 R CB -0.767 29.481 30.300 -0.087 0.000 0.874 321 R HN 0.623 nan 8.270 nan 0.000 0.451 322 G N -0.173 108.558 108.800 -0.116 0.000 2.471 322 G HA2 -0.224 3.737 3.960 0.002 0.000 0.219 322 G HA3 -0.224 3.737 3.960 0.002 0.000 0.219 322 G C 0.770 175.738 174.900 0.113 0.000 1.125 322 G CA 0.512 45.599 45.100 -0.021 0.000 0.775 322 G HN 0.498 nan 8.290 nan 0.000 0.548 323 H N -0.279 118.781 119.070 -0.017 0.000 2.546 323 H HA 0.170 4.727 4.556 0.002 0.000 0.277 323 H C 1.968 177.283 175.328 -0.022 0.000 1.004 323 H CA -0.198 55.842 56.048 -0.014 0.000 1.231 323 H CB 0.156 29.913 29.762 -0.009 0.000 1.382 323 H HN 0.282 nan 8.280 nan 0.000 0.580 324 L N 1.050 122.320 121.223 0.079 0.000 2.599 324 L HA 0.084 4.425 4.340 0.002 0.000 0.230 324 L C 0.198 177.033 176.870 -0.058 0.000 1.141 324 L CA 0.098 54.921 54.840 -0.027 0.000 0.877 324 L CB 0.101 42.098 42.059 -0.102 0.000 1.009 324 L HN 0.197 nan 8.230 nan 0.000 0.447 325 L N 0.309 121.523 121.223 -0.015 0.000 2.334 325 L HA 0.344 4.685 4.340 0.002 0.000 0.277 325 L C -0.010 176.788 176.870 -0.120 0.000 1.075 325 L CA -0.313 54.504 54.840 -0.038 0.000 0.804 325 L CB 1.212 43.306 42.059 0.060 0.000 1.174 325 L HN -0.018 nan 8.230 nan 0.000 0.438 326 E N 2.557 122.538 120.200 -0.365 0.000 2.224 326 E HA 0.237 4.588 4.350 0.002 0.000 0.265 326 E C -1.070 175.312 176.600 -0.364 0.000 0.878 326 E CA -0.469 55.628 56.400 -0.505 0.000 0.759 326 E CB 2.593 31.572 29.700 -1.202 0.000 1.164 326 E HN 0.477 nan 8.360 nan 0.000 0.414 327 E N 3.031 123.075 120.200 -0.260 0.000 2.331 327 E HA 0.193 4.545 4.350 0.002 0.000 0.272 327 E C -0.433 175.831 176.600 -0.559 0.000 1.036 327 E CA -0.097 55.980 56.400 -0.540 0.000 0.864 327 E CB 0.781 30.221 29.700 -0.434 0.000 1.035 327 E HN 0.355 nan 8.360 nan 0.000 0.408 328 N N 2.016 120.262 118.700 -0.756 0.000 3.526 328 N HA 0.321 5.062 4.740 0.002 0.000 0.328 328 N C -1.813 173.292 175.510 -0.674 0.000 1.601 328 N CA -0.516 52.045 53.050 -0.815 0.000 0.834 328 N CB 1.376 38.933 38.487 -1.549 0.000 1.983 328 N HN 0.270 nan 8.380 nan 0.000 0.579 329 K N 0.877 120.996 120.400 -0.468 0.000 2.471 329 K HA 0.391 4.712 4.320 0.002 0.000 0.252 329 K C -1.692 174.963 176.600 0.091 0.000 0.938 329 K CA -0.362 55.797 56.287 -0.214 0.000 0.796 329 K CB 1.976 34.386 32.500 -0.150 0.000 1.161 329 K HN 0.569 nan 8.250 nan 0.000 0.425 330 Y N 0.210 120.424 120.300 -0.144 0.000 2.441 330 Y HA 0.339 4.890 4.550 0.002 0.000 0.334 330 Y C -0.176 175.674 175.900 -0.082 0.000 1.061 330 Y CA -0.119 57.953 58.100 -0.046 0.000 1.032 330 Y CB 1.863 40.271 38.460 -0.087 0.000 1.266 330 Y HN 0.850 nan 8.280 nan 0.000 0.441 331 A N 3.654 126.256 122.820 -0.363 0.000 2.640 331 A HA 0.013 4.335 4.320 0.002 0.000 0.300 331 A C 1.517 179.047 177.584 -0.091 0.000 1.499 331 A CA 1.848 53.754 52.037 -0.219 0.000 0.759 331 A CB -2.121 16.796 19.000 -0.138 0.000 1.048 331 A HN 2.495 nan 8.150 nan 0.000 0.450 332 G N -1.906 106.839 108.800 -0.092 0.000 2.168 332 G HA2 -0.279 3.682 3.960 0.002 0.000 0.257 332 G HA3 -0.279 3.682 3.960 0.002 0.000 0.257 332 G C 0.041 174.906 174.900 -0.059 0.000 0.997 332 G CA 1.328 46.390 45.100 -0.064 0.000 0.708 332 G HN 1.224 nan 8.290 nan 0.000 0.520 333 K N -0.505 119.845 120.400 -0.084 0.000 2.443 333 K HA 0.545 4.867 4.320 0.002 0.000 0.251 333 K C -0.191 176.267 176.600 -0.238 0.000 0.972 333 K CA -0.732 55.489 56.287 -0.110 0.000 0.833 333 K CB 1.513 33.974 32.500 -0.064 0.000 1.317 333 K HN 0.042 nan 8.250 nan 0.000 0.441 334 T N 1.657 116.039 114.554 -0.286 0.000 2.870 334 T HA 0.269 4.620 4.350 0.002 0.000 0.300 334 T C -0.016 174.217 174.700 -0.778 0.000 0.989 334 T CA -0.539 61.234 62.100 -0.544 0.000 1.139 334 T CB 0.338 68.870 68.868 -0.561 0.000 0.920 334 T HN 0.403 nan 8.240 nan 0.000 0.537 335 V N 0.289 119.600 119.914 -1.005 0.000 3.141 335 V HA 0.784 4.905 4.120 0.002 0.000 0.312 335 V C -1.553 174.014 176.094 -0.880 0.000 1.157 335 V CA -1.313 60.340 62.300 -1.079 0.000 1.041 335 V CB 2.369 33.325 31.823 -1.445 0.000 1.071 335 V HN 0.879 nan 8.190 nan 0.000 0.441 336 W N 2.021 123.223 121.300 -0.163 0.000 2.785 336 W HA 0.560 5.221 4.660 0.001 0.000 0.333 336 W C -1.019 175.581 176.519 0.134 0.000 1.062 336 W CA -0.696 56.624 57.345 -0.042 0.000 1.233 336 W CB 2.052 31.533 29.460 0.034 0.000 1.413 336 W HN 0.980 nan 8.180 nan 0.000 0.489 337 W N 3.040 124.441 121.300 0.169 0.000 2.655 337 W HA 0.692 5.353 4.660 0.002 0.000 0.358 337 W C -1.786 174.837 176.519 0.174 0.000 1.100 337 W CA -1.544 55.941 57.345 0.233 0.000 1.195 337 W CB 0.522 30.143 29.460 0.268 0.000 1.403 337 W HN 0.160 nan 8.180 nan 0.000 0.589 338 L N 3.628 125.034 121.223 0.305 0.000 2.265 338 L HA 0.263 4.604 4.340 0.002 0.000 0.289 338 L C -1.080 175.853 176.870 0.105 0.000 1.033 338 L CA -0.708 54.171 54.840 0.064 0.000 0.814 338 L CB 0.428 42.490 42.059 0.005 0.000 1.203 338 L HN 0.423 nan 8.230 nan 0.000 0.423 339 Y N 4.764 124.866 120.300 -0.330 0.000 2.793 339 Y HA 0.287 4.838 4.550 0.002 0.000 0.374 339 Y C 1.005 176.792 175.900 -0.190 0.000 1.135 339 Y CA -0.519 57.417 58.100 -0.273 0.000 1.451 339 Y CB 0.171 38.269 38.460 -0.602 0.000 1.541 339 Y HN 0.824 nan 8.280 nan 0.000 0.546 340 K N 1.005 121.295 120.400 -0.182 0.000 2.323 340 K HA 0.195 4.516 4.320 0.002 0.000 0.197 340 K C -0.517 175.935 176.600 -0.247 0.000 1.043 340 K CA 0.400 56.431 56.287 -0.427 0.000 0.997 340 K CB 0.327 32.467 32.500 -0.600 0.000 0.807 340 K HN 0.362 nan 8.250 nan 0.000 0.497 341 L N 2.921 124.091 121.223 -0.088 0.000 2.287 341 L HA 0.332 4.673 4.340 0.002 0.000 0.280 341 L C -0.662 176.219 176.870 0.018 0.000 1.055 341 L CA -0.179 54.667 54.840 0.009 0.000 0.863 341 L CB 1.360 43.438 42.059 0.032 0.000 1.245 341 L HN -0.048 nan 8.230 nan 0.000 0.432 342 R N 1.542 121.977 120.500 -0.108 0.000 2.294 342 R HA 0.634 4.975 4.340 0.002 0.000 0.319 342 R C 0.529 176.824 176.300 -0.009 0.000 0.984 342 R CA -0.496 55.441 56.100 -0.271 0.000 0.861 342 R CB 1.569 31.574 30.300 -0.492 0.000 1.104 342 R HN 0.677 nan 8.270 nan 0.000 0.451 343 G N -0.121 108.773 108.800 0.157 0.000 2.532 343 G HA2 0.083 4.044 3.960 0.002 0.000 0.291 343 G HA3 0.083 4.044 3.960 0.002 0.000 0.291 343 G C 0.951 175.911 174.900 0.100 0.000 1.349 343 G CA -0.361 44.815 45.100 0.127 0.000 1.038 343 G HN 0.594 nan 8.290 nan 0.000 0.518 344 T N -3.114 111.483 114.554 0.073 0.000 3.088 344 T HA 0.082 4.433 4.350 0.002 0.000 0.259 344 T C 0.216 174.953 174.700 0.062 0.000 1.122 344 T CA 0.982 63.113 62.100 0.051 0.000 1.095 344 T CB 0.130 69.015 68.868 0.029 0.000 0.930 344 T HN 0.355 nan 8.240 nan 0.000 0.508 345 D N 0.001 120.449 120.400 0.080 0.000 2.696 345 D HA 0.350 4.991 4.640 0.002 0.000 0.251 345 D C 0.735 177.075 176.300 0.067 0.000 1.188 345 D CA -0.855 53.174 54.000 0.048 0.000 0.876 345 D CB 1.651 42.452 40.800 0.001 0.000 1.334 345 D HN -0.034 nan 8.370 nan 0.000 0.540 346 L N 4.378 125.636 121.223 0.059 0.000 2.021 346 L HA -0.101 4.240 4.340 0.002 0.000 0.215 346 L C 1.205 177.947 176.870 -0.213 0.000 1.074 346 L CA 1.915 56.764 54.840 0.016 0.000 0.760 346 L CB -0.198 41.867 42.059 0.010 0.000 0.889 346 L HN 0.443 nan 8.230 nan 0.000 0.433 347 K N -0.786 119.382 120.400 -0.386 0.000 2.437 347 K HA 0.211 4.532 4.320 0.002 0.000 0.205 347 K C -0.302 175.975 176.600 -0.538 0.000 1.026 347 K CA 0.048 55.774 56.287 -0.937 0.000 1.153 347 K CB 0.108 32.059 32.500 -0.915 0.000 0.863 347 K HN 0.258 nan 8.250 nan 0.000 0.502 348 T N 1.320 115.741 114.554 -0.222 0.000 2.809 348 T HA 0.374 4.725 4.350 0.002 0.000 0.284 348 T C -0.432 174.259 174.700 -0.014 0.000 0.992 348 T CA -0.646 61.406 62.100 -0.081 0.000 0.957 348 T CB 1.685 70.536 68.868 -0.028 0.000 0.942 348 T HN 0.173 nan 8.240 nan 0.000 0.439 349 A N 5.723 128.510 122.820 -0.055 0.000 2.450 349 A HA 0.579 4.900 4.320 0.002 0.000 0.255 349 A C -2.089 175.548 177.584 0.089 0.000 1.096 349 A CA -1.208 50.759 52.037 -0.117 0.000 0.778 349 A CB -0.208 18.387 19.000 -0.674 0.000 1.031 349 A HN 0.526 nan 8.150 nan 0.000 0.494 350 P HA 0.257 nan 4.420 nan 0.000 0.279 350 P C 0.086 177.522 177.300 0.226 0.000 1.239 350 P CA -0.253 62.950 63.100 0.172 0.000 0.789 350 P CB 1.059 32.846 31.700 0.146 0.000 0.933 351 L N 1.515 122.826 121.223 0.147 0.000 2.554 351 L HA 0.076 4.417 4.340 0.002 0.000 0.225 351 L C 1.770 178.679 176.870 0.064 0.000 1.104 351 L CA 0.608 55.494 54.840 0.077 0.000 0.866 351 L CB -0.244 41.818 42.059 0.004 0.000 1.047 351 L HN 0.464 nan 8.230 nan 0.000 0.468 352 E N -0.750 119.492 120.200 0.069 0.000 2.603 352 E HA 0.077 4.428 4.350 0.002 0.000 0.211 352 E C -0.115 176.510 176.600 0.040 0.000 0.995 352 E CA -0.328 56.102 56.400 0.050 0.000 0.990 352 E CB -0.172 29.551 29.700 0.038 0.000 1.036 352 E HN 0.171 nan 8.360 nan 0.000 0.475 353 C N 2.451 121.785 119.300 0.058 0.000 2.653 353 C HA 0.254 4.715 4.460 0.002 0.000 0.421 353 C C 0.532 175.537 174.990 0.026 0.000 1.334 353 C CA -0.499 58.541 59.018 0.038 0.000 1.885 353 C CB -0.934 26.847 27.740 0.069 0.000 2.645 353 C HN 0.318 nan 8.230 nan 0.000 0.601 354 N N 2.859 121.536 118.700 -0.039 0.000 2.529 354 N HA 0.222 4.963 4.740 0.002 0.000 0.278 354 N C -0.403 175.087 175.510 -0.033 0.000 1.146 354 N CA 0.129 53.139 53.050 -0.068 0.000 0.980 354 N CB 0.390 38.737 38.487 -0.233 0.000 1.124 354 N HN 0.572 nan 8.380 nan 0.000 0.458 355 N N 0.346 119.032 118.700 -0.023 0.000 2.437 355 N HA 0.159 4.900 4.740 0.002 0.000 0.259 355 N C -0.683 174.790 175.510 -0.061 0.000 0.983 355 N CA -0.438 52.573 53.050 -0.065 0.000 0.937 355 N CB 1.567 40.016 38.487 -0.064 0.000 1.122 355 N HN 0.194 nan 8.380 nan 0.000 0.499 356 V N 2.920 122.828 119.914 -0.010 0.000 2.637 356 V HA 0.050 4.171 4.120 0.002 0.000 0.296 356 V C 0.891 177.046 176.094 0.103 0.000 1.046 356 V CA 0.305 62.622 62.300 0.028 0.000 1.066 356 V CB 0.953 32.848 31.823 0.120 0.000 0.968 356 V HN 0.479 nan 8.190 nan 0.000 0.483 357 V N 6.340 126.233 119.914 -0.034 0.000 3.013 357 V HA 0.326 4.448 4.120 0.002 0.000 0.238 357 V C 0.198 176.400 176.094 0.179 0.000 1.161 357 V CA 0.330 62.618 62.300 -0.020 0.000 1.170 357 V CB 0.225 31.734 31.823 -0.523 0.000 0.917 357 V HN 0.623 nan 8.190 nan 0.000 0.478 358 L N 2.232 123.593 121.223 0.230 0.000 2.441 358 L HA 0.609 4.950 4.340 0.002 0.000 0.270 358 L C -0.493 176.578 176.870 0.335 0.000 0.973 358 L CA -0.369 54.684 54.840 0.355 0.000 0.842 358 L CB 1.766 44.068 42.059 0.406 0.000 1.239 358 L HN 0.327 nan 8.230 nan 0.000 0.406 359 R N 1.967 122.618 120.500 0.251 0.000 2.867 359 R HA 0.513 4.854 4.340 0.002 0.000 0.268 359 R C 0.262 176.525 176.300 -0.061 0.000 1.014 359 R CA -0.967 55.093 56.100 -0.066 0.000 0.946 359 R CB 1.464 31.745 30.300 -0.033 0.000 1.208 359 R HN 0.336 nan 8.270 nan 0.000 0.477 360 L N 1.440 122.406 121.223 -0.427 0.000 2.043 360 L HA -0.140 4.201 4.340 0.002 0.000 0.212 360 L C 1.836 178.799 176.870 0.154 0.000 1.075 360 L CA 2.203 56.971 54.840 -0.121 0.000 0.752 360 L CB -0.591 41.319 42.059 -0.248 0.000 0.891 360 L HN 0.878 nan 8.230 nan 0.000 0.432 361 S N -0.712 115.022 115.700 0.056 0.000 2.387 361 S HA -0.277 4.194 4.470 0.002 0.000 0.230 361 S C 1.872 176.592 174.600 0.199 0.000 1.035 361 S CA 1.491 59.756 58.200 0.108 0.000 1.014 361 S CB -0.394 62.874 63.200 0.113 0.000 0.836 361 S HN 0.605 nan 8.310 nan 0.000 0.466 362 E N 0.752 121.068 120.200 0.192 0.000 2.085 362 E HA -0.156 4.195 4.350 0.002 0.000 0.194 362 E C 1.909 178.626 176.600 0.196 0.000 0.994 362 E CA 1.371 57.878 56.400 0.178 0.000 0.801 362 E CB -0.056 29.763 29.700 0.199 0.000 0.743 362 E HN 0.346 nan 8.360 nan 0.000 0.453 363 V N 0.451 120.498 119.914 0.222 0.000 2.343 363 V HA -0.260 3.861 4.120 0.002 0.000 0.247 363 V C 1.984 178.090 176.094 0.020 0.000 1.051 363 V CA 1.849 64.219 62.300 0.118 0.000 1.036 363 V CB -0.811 31.079 31.823 0.112 0.000 0.654 363 V HN 0.332 nan 8.190 nan 0.000 0.451 364 Y N 0.145 120.419 120.300 -0.042 0.000 2.128 364 Y HA -0.207 4.344 4.550 0.002 0.000 0.284 364 Y C 2.301 178.235 175.900 0.056 0.000 1.154 364 Y CA 1.704 59.763 58.100 -0.068 0.000 1.149 364 Y CB -0.543 37.922 38.460 0.010 0.000 0.976 364 Y HN 0.145 nan 8.280 nan 0.000 0.505 365 L N -0.938 120.435 121.223 0.250 0.000 2.141 365 L HA -0.199 4.142 4.340 0.002 0.000 0.209 365 L C 2.161 179.149 176.870 0.196 0.000 1.094 365 L CA 0.986 55.955 54.840 0.215 0.000 0.763 365 L CB -0.528 41.638 42.059 0.177 0.000 0.908 365 L HN 0.242 nan 8.230 nan 0.000 0.437 366 I N 0.003 120.673 120.570 0.166 0.000 2.179 366 I HA -0.289 3.882 4.170 0.002 0.000 0.242 366 I C 2.832 179.056 176.117 0.178 0.000 1.088 366 I CA 1.233 62.633 61.300 0.166 0.000 1.357 366 I CB -0.481 37.603 38.000 0.140 0.000 1.051 366 I HN 0.196 nan 8.210 nan 0.000 0.409 367 A N 0.779 123.665 122.820 0.110 0.000 1.908 367 A HA -0.202 4.119 4.320 0.002 0.000 0.218 367 A C 2.542 180.389 177.584 0.437 0.000 1.181 367 A CA 2.010 54.163 52.037 0.194 0.000 0.627 367 A CB -0.891 18.050 19.000 -0.098 0.000 0.818 367 A HN 0.447 nan 8.150 nan 0.000 0.445 368 A N -0.507 122.537 122.820 0.373 0.000 1.902 368 A HA -0.191 4.130 4.320 0.002 0.000 0.217 368 A C 2.068 179.881 177.584 0.381 0.000 1.181 368 A CA 1.859 54.159 52.037 0.437 0.000 0.623 368 A CB -0.532 18.695 19.000 0.379 0.000 0.818 368 A HN 0.685 nan 8.150 nan 0.000 0.443 369 E N -0.305 120.056 120.200 0.268 0.000 2.047 369 E HA -0.077 4.274 4.350 0.002 0.000 0.191 369 E C 2.161 178.850 176.600 0.148 0.000 0.987 369 E CA 0.953 57.458 56.400 0.175 0.000 0.799 369 E CB -0.243 29.551 29.700 0.156 0.000 0.752 369 E HN 0.514 nan 8.360 nan 0.000 0.449 370 A N 0.754 123.700 122.820 0.210 0.000 1.898 370 A HA -0.059 4.262 4.320 0.002 0.000 0.216 370 A C 2.408 180.078 177.584 0.143 0.000 1.181 370 A CA 1.610 53.763 52.037 0.194 0.000 0.620 370 A CB -1.165 17.999 19.000 0.273 0.000 0.819 370 A HN 0.452 nan 8.150 nan 0.000 0.442 371 G N -0.988 107.948 108.800 0.227 0.000 2.440 371 G HA2 -0.332 3.629 3.960 0.002 0.000 0.218 371 G HA3 -0.332 3.629 3.960 0.002 0.000 0.218 371 G C 1.780 176.691 174.900 0.017 0.000 1.154 371 G CA 1.286 46.413 45.100 0.046 0.000 0.767 371 G HN 0.586 nan 8.290 nan 0.000 0.552 372 C N 0.522 119.805 119.300 -0.028 0.000 2.429 372 C HA 0.043 4.504 4.460 0.002 0.000 0.277 372 C C 2.892 177.762 174.990 -0.199 0.000 1.262 372 C CA 1.572 60.356 59.018 -0.390 0.000 1.733 372 C CB -0.812 26.556 27.740 -0.620 0.000 2.010 372 C HN 0.479 nan 8.230 nan 0.000 0.483 373 K N 0.056 120.402 120.400 -0.091 0.000 2.148 373 K HA -0.043 4.278 4.320 0.002 0.000 0.204 373 K C 1.796 178.366 176.600 -0.050 0.000 1.050 373 K CA 1.185 57.440 56.287 -0.053 0.000 0.942 373 K CB -0.186 32.312 32.500 -0.004 0.000 0.724 373 K HN 0.528 nan 8.250 nan 0.000 0.446 374 L N 0.041 121.228 121.223 -0.061 0.000 2.179 374 L HA 0.022 4.363 4.340 0.002 0.000 0.208 374 L C 1.212 178.035 176.870 -0.079 0.000 1.096 374 L CA 0.448 55.243 54.840 -0.075 0.000 0.779 374 L CB -0.665 41.318 42.059 -0.126 0.000 0.922 374 L HN 0.370 nan 8.230 nan 0.000 0.443 375 G N -0.643 108.109 108.800 -0.079 0.000 2.697 375 G HA2 0.010 3.971 3.960 0.002 0.000 0.240 375 G HA3 0.010 3.971 3.960 0.002 0.000 0.240 375 G C 0.517 175.378 174.900 -0.065 0.000 1.346 375 G CA -0.268 44.799 45.100 -0.055 0.000 0.887 375 G HN 0.803 nan 8.290 nan 0.000 0.569 376 G N -1.261 107.515 108.800 -0.039 0.000 2.574 376 G HA2 -0.171 3.790 3.960 0.002 0.000 0.282 376 G HA3 -0.171 3.790 3.960 0.002 0.000 0.282 376 G C 0.844 175.712 174.900 -0.053 0.000 1.257 376 G CA 1.232 46.307 45.100 -0.043 0.000 0.956 376 G HN 1.498 nan 8.290 nan 0.000 0.560 377 D N 0.484 120.844 120.400 -0.067 0.000 2.144 377 D HA 0.072 4.714 4.640 0.002 0.000 0.199 377 D C 2.802 179.021 176.300 -0.135 0.000 0.984 377 D CA 2.145 56.105 54.000 -0.065 0.000 0.834 377 D CB -0.782 39.995 40.800 -0.039 0.000 0.955 377 D HN 0.815 nan 8.370 nan 0.000 0.465 378 A N 1.059 123.701 122.820 -0.297 0.000 1.940 378 A HA -0.091 4.230 4.320 0.002 0.000 0.219 378 A C 2.317 179.683 177.584 -0.364 0.000 1.176 378 A CA 2.215 53.809 52.037 -0.737 0.000 0.631 378 A CB -0.642 17.750 19.000 -1.013 0.000 0.814 378 A HN 0.245 nan 8.150 nan 0.000 0.446 379 A N -0.573 122.180 122.820 -0.110 0.000 1.873 379 A HA 0.016 4.337 4.320 0.002 0.000 0.215 379 A C 2.231 179.903 177.584 0.148 0.000 1.186 379 A CA 1.717 53.854 52.037 0.167 0.000 0.616 379 A CB -0.984 18.118 19.000 0.171 0.000 0.823 379 A HN 0.389 nan 8.150 nan 0.000 0.442 380 V N 0.003 119.935 119.914 0.030 0.000 2.287 380 V HA -0.366 3.755 4.120 0.002 0.000 0.248 380 V C 2.686 178.749 176.094 -0.051 0.000 1.053 380 V CA 2.471 64.759 62.300 -0.020 0.000 1.027 380 V CB -0.993 30.817 31.823 -0.022 0.000 0.646 380 V HN 0.663 nan 8.190 nan 0.000 0.447 381 Q N -0.110 119.687 119.800 -0.005 0.000 2.119 381 Q HA -0.099 4.242 4.340 0.002 0.000 0.201 381 Q C 2.376 178.388 176.000 0.021 0.000 0.972 381 Q CA 1.597 57.399 55.803 -0.002 0.000 0.847 381 Q CB -0.541 28.335 28.738 0.230 0.000 0.903 381 Q HN 0.720 nan 8.270 nan 0.000 0.433 382 G N 0.683 109.630 108.800 0.246 0.000 2.422 382 G HA2 -0.216 3.745 3.960 0.002 0.000 0.218 382 G HA3 -0.216 3.745 3.960 0.002 0.000 0.218 382 G C 1.334 176.284 174.900 0.083 0.000 1.140 382 G CA 0.322 45.663 45.100 0.402 0.000 0.775 382 G HN 0.216 nan 8.290 nan 0.000 0.545 383 L N 1.696 122.730 121.223 -0.315 0.000 2.083 383 L HA 0.163 4.504 4.340 0.002 0.000 0.209 383 L C 2.743 179.461 176.870 -0.254 0.000 1.083 383 L CA 2.114 56.560 54.840 -0.657 0.000 0.752 383 L CB -0.997 40.627 42.059 -0.726 0.000 0.899 383 L HN 0.156 nan 8.230 nan 0.000 0.433 384 G N -1.506 107.179 108.800 -0.192 0.000 2.446 384 G HA2 -0.328 3.633 3.960 0.002 0.000 0.217 384 G HA3 -0.328 3.633 3.960 0.002 0.000 0.217 384 G C 1.367 176.245 174.900 -0.037 0.000 1.168 384 G CA 1.084 46.085 45.100 -0.165 0.000 0.771 384 G HN 0.438 nan 8.290 nan 0.000 0.551 385 Y N 0.052 120.414 120.300 0.103 0.000 2.181 385 Y HA 0.010 4.561 4.550 0.002 0.000 0.288 385 Y C 2.588 178.626 175.900 0.231 0.000 1.146 385 Y CA 0.587 58.822 58.100 0.224 0.000 1.164 385 Y CB -0.939 37.611 38.460 0.149 0.000 0.982 385 Y HN 0.182 nan 8.280 nan 0.000 0.515 386 L N 0.596 121.981 121.223 0.269 0.000 2.012 386 L HA -0.232 4.109 4.340 0.002 0.000 0.210 386 L C 1.952 178.892 176.870 0.117 0.000 1.073 386 L CA 1.888 56.838 54.840 0.183 0.000 0.748 386 L CB -0.942 41.183 42.059 0.109 0.000 0.891 386 L HN 0.181 nan 8.230 nan 0.000 0.431 387 N N -0.405 118.328 118.700 0.055 0.000 2.223 387 N HA -0.236 4.505 4.740 0.002 0.000 0.185 387 N C 1.781 177.320 175.510 0.048 0.000 1.016 387 N CA 1.375 54.441 53.050 0.027 0.000 0.863 387 N CB -0.001 38.478 38.487 -0.013 0.000 0.983 387 N HN 0.458 nan 8.380 nan 0.000 0.429 388 E N 0.963 121.225 120.200 0.104 0.000 2.118 388 E HA -0.107 4.244 4.350 0.002 0.000 0.195 388 E C 1.826 178.425 176.600 -0.003 0.000 0.992 388 E CA 0.895 57.341 56.400 0.076 0.000 0.804 388 E CB 0.012 29.819 29.700 0.178 0.000 0.741 388 E HN 0.214 nan 8.360 nan 0.000 0.458 389 I N -0.228 120.356 120.570 0.023 0.000 2.333 389 I HA -0.148 4.023 4.170 0.002 0.000 0.246 389 I C 2.259 178.375 176.117 -0.001 0.000 1.106 389 I CA 0.601 61.895 61.300 -0.010 0.000 1.411 389 I CB -1.039 36.989 38.000 0.047 0.000 1.082 389 I HN 0.065 nan 8.210 nan 0.000 0.420 390 V N 1.417 121.343 119.914 0.020 0.000 2.287 390 V HA -0.278 3.843 4.120 0.002 0.000 0.248 390 V C 2.464 178.548 176.094 -0.016 0.000 1.053 390 V CA 1.838 64.141 62.300 0.004 0.000 1.027 390 V CB -0.695 31.136 31.823 0.014 0.000 0.646 390 V HN 0.397 nan 8.190 nan 0.000 0.447 391 K N -0.620 119.771 120.400 -0.015 0.000 2.228 391 K HA -0.067 4.254 4.320 0.002 0.000 0.202 391 K C 2.403 178.986 176.600 -0.028 0.000 1.051 391 K CA 0.444 56.713 56.287 -0.030 0.000 0.960 391 K CB -0.174 32.311 32.500 -0.026 0.000 0.743 391 K HN 0.169 nan 8.250 nan 0.000 0.458 392 R N 1.177 121.669 120.500 -0.014 0.000 2.096 392 R HA -0.094 4.247 4.340 0.002 0.000 0.235 392 R C 2.064 178.395 176.300 0.052 0.000 1.127 392 R CA 1.776 57.887 56.100 0.018 0.000 0.968 392 R CB -0.657 29.637 30.300 -0.010 0.000 0.861 392 R HN 0.302 nan 8.270 nan 0.000 0.440 393 G N 0.250 109.028 108.800 -0.036 0.000 2.421 393 G HA2 -0.238 3.723 3.960 0.002 0.000 0.216 393 G HA3 -0.238 3.723 3.960 0.002 0.000 0.216 393 G C 0.555 175.489 174.900 0.057 0.000 1.171 393 G CA 0.629 45.678 45.100 -0.085 0.000 0.775 393 G HN 0.398 nan 8.290 nan 0.000 0.543 394 N N -0.730 117.971 118.700 0.002 0.000 2.572 394 N HA 0.236 4.977 4.740 0.002 0.000 0.287 394 N C -2.280 173.161 175.510 -0.115 0.000 1.136 394 N CA -1.762 51.254 53.050 -0.057 0.000 0.900 394 N CB 2.287 40.752 38.487 -0.036 0.000 1.484 394 N HN -0.160 nan 8.380 nan 0.000 0.526 395 P HA -0.012 nan 4.420 nan 0.000 0.225 395 P C 0.011 177.254 177.300 -0.096 0.000 1.148 395 P CA 0.855 63.866 63.100 -0.148 0.000 0.779 395 P CB 0.528 32.111 31.700 -0.195 0.000 0.780 396 D N -0.932 119.414 120.400 -0.089 0.000 2.363 396 D HA 0.012 4.653 4.640 0.002 0.000 0.220 396 D C 0.516 176.790 176.300 -0.042 0.000 0.994 396 D CA 0.611 54.576 54.000 -0.057 0.000 0.890 396 D CB -0.162 40.608 40.800 -0.049 0.000 0.906 396 D HN 0.202 nan 8.370 nan 0.000 0.530 397 N N 1.091 119.765 118.700 -0.043 0.000 2.472 397 N HA 0.352 5.093 4.740 0.002 0.000 0.289 397 N C 0.052 175.547 175.510 -0.025 0.000 1.156 397 N CA -0.321 52.711 53.050 -0.030 0.000 0.940 397 N CB 1.725 40.194 38.487 -0.029 0.000 1.200 397 N HN 0.137 nan 8.380 nan 0.000 0.511 398 E N -1.827 118.363 120.200 -0.017 0.000 2.445 398 E HA 0.561 4.912 4.350 0.002 0.000 0.279 398 E C -1.676 174.921 176.600 -0.006 0.000 1.018 398 E CA -0.934 55.457 56.400 -0.015 0.000 0.816 398 E CB 1.088 30.777 29.700 -0.018 0.000 1.356 398 E HN 0.080 nan 8.360 nan 0.000 0.462 399 V N 1.776 121.684 119.914 -0.010 0.000 2.407 399 V HA 0.366 4.487 4.120 0.002 0.000 0.291 399 V C 0.370 176.453 176.094 -0.019 0.000 1.018 399 V CA -0.234 62.067 62.300 0.001 0.000 0.842 399 V CB 1.136 32.971 31.823 0.020 0.000 0.996 399 V HN 0.901 nan 8.190 nan 0.000 0.426 403 D N -0.653 119.797 120.400 0.084 0.000 2.340 403 D HA 0.186 4.827 4.640 0.002 0.000 0.217 403 D C -0.245 176.149 176.300 0.156 0.000 1.081 403 D CA 0.243 54.296 54.000 0.089 0.000 0.842 403 D CB 0.095 40.934 40.800 0.065 0.000 0.934 403 D HN 0.382 nan 8.370 nan 0.000 0.511 404 Y N 2.742 123.052 120.300 0.018 0.000 2.632 404 Y HA 0.232 4.783 4.550 0.002 0.000 0.336 404 Y C 0.151 176.065 175.900 0.025 0.000 1.237 404 Y CA -0.880 57.235 58.100 0.026 0.000 1.595 404 Y CB -0.754 37.721 38.460 0.026 0.000 1.508 404 Y HN -0.214 nan 8.280 nan 0.000 0.480 405 T N 1.169 115.727 114.554 0.007 0.000 2.942 405 T HA 0.263 4.615 4.350 0.002 0.000 0.289 405 T C 0.845 175.488 174.700 -0.094 0.000 1.044 405 T CA -0.885 61.164 62.100 -0.084 0.000 1.023 405 T CB 1.547 70.404 68.868 -0.018 0.000 1.123 405 T HN 0.418 nan 8.240 nan 0.000 0.512 406 L N 0.889 122.052 121.223 -0.099 0.000 2.042 406 L HA -0.021 4.320 4.340 0.002 0.000 0.210 406 L C 1.900 178.769 176.870 -0.001 0.000 1.076 406 L CA 2.082 56.890 54.840 -0.053 0.000 0.749 406 L CB -1.138 40.893 42.059 -0.046 0.000 0.893 406 L HN 0.758 nan 8.230 nan 0.000 0.432 407 D N -0.771 119.629 120.400 -0.000 0.000 2.149 407 D HA -0.216 4.425 4.640 0.002 0.000 0.198 407 D C 2.300 178.625 176.300 0.041 0.000 0.990 407 D CA 1.084 55.094 54.000 0.017 0.000 0.839 407 D CB -0.095 40.710 40.800 0.008 0.000 0.948 407 D HN 0.208 nan 8.370 nan 0.000 0.460 408 R N 0.633 121.164 120.500 0.052 0.000 2.092 408 R HA -0.056 4.285 4.340 0.002 0.000 0.231 408 R C 1.986 178.352 176.300 0.109 0.000 1.119 408 R CA 0.850 56.999 56.100 0.081 0.000 0.970 408 R CB -0.624 29.742 30.300 0.109 0.000 0.864 408 R HN 0.047 nan 8.270 nan 0.000 0.440 409 V N 0.682 120.669 119.914 0.121 0.000 2.453 409 V HA -0.168 3.953 4.120 0.002 0.000 0.247 409 V C 2.246 178.413 176.094 0.121 0.000 1.048 409 V CA 1.614 64.004 62.300 0.149 0.000 1.049 409 V CB -0.437 31.483 31.823 0.162 0.000 0.672 409 V HN 0.263 nan 8.190 nan 0.000 0.457 410 L N -0.274 121.005 121.223 0.094 0.000 2.093 410 L HA -0.139 4.202 4.340 0.002 0.000 0.208 410 L C 2.329 179.261 176.870 0.102 0.000 1.085 410 L CA 1.317 56.214 54.840 0.095 0.000 0.755 410 L CB -0.756 41.346 42.059 0.072 0.000 0.904 410 L HN 0.307 nan 8.230 nan 0.000 0.435 411 D N -0.055 120.397 120.400 0.087 0.000 2.144 411 D HA -0.204 4.438 4.640 0.002 0.000 0.199 411 D C 2.086 178.442 176.300 0.093 0.000 0.984 411 D CA 1.054 55.103 54.000 0.082 0.000 0.834 411 D CB 0.054 40.887 40.800 0.055 0.000 0.955 411 D HN 0.224 nan 8.370 nan 0.000 0.465 412 E N 0.849 121.108 120.200 0.099 0.000 2.072 412 E HA -0.076 4.275 4.350 0.002 0.000 0.191 412 E C 2.039 178.713 176.600 0.122 0.000 0.985 412 E CA 0.854 57.315 56.400 0.102 0.000 0.801 412 E CB 0.070 29.837 29.700 0.112 0.000 0.750 412 E HN 0.146 nan 8.360 nan 0.000 0.452 413 R N -0.277 120.302 120.500 0.131 0.000 2.091 413 R HA -0.125 4.216 4.340 0.002 0.000 0.238 413 R C 2.597 178.996 176.300 0.165 0.000 1.136 413 R CA 1.396 57.577 56.100 0.135 0.000 0.959 413 R CB -0.651 29.729 30.300 0.135 0.000 0.856 413 R HN 0.130 nan 8.270 nan 0.000 0.437 414 S N 0.849 116.657 115.700 0.180 0.000 2.359 414 S HA -0.220 4.251 4.470 0.002 0.000 0.223 414 S C 1.754 176.550 174.600 0.326 0.000 1.039 414 S CA 1.613 59.955 58.200 0.236 0.000 1.042 414 S CB -0.013 63.322 63.200 0.225 0.000 0.915 414 S HN 0.252 nan 8.310 nan 0.000 0.439 415 K N 0.115 120.672 120.400 0.260 0.000 2.026 415 K HA -0.116 4.205 4.320 0.002 0.000 0.208 415 K C 2.380 179.128 176.600 0.247 0.000 1.048 415 K CA 1.685 58.125 56.287 0.255 0.000 0.929 415 K CB -0.241 32.309 32.500 0.082 0.000 0.713 415 K HN 0.357 nan 8.250 nan 0.000 0.439 416 E N 0.844 121.158 120.200 0.190 0.000 2.112 416 E HA -0.037 4.314 4.350 0.002 0.000 0.190 416 E C 1.213 177.948 176.600 0.225 0.000 0.979 416 E CA 0.952 57.474 56.400 0.203 0.000 0.814 416 E CB 0.217 30.023 29.700 0.176 0.000 0.762 416 E HN 0.182 nan 8.360 nan 0.000 0.460 417 L N 0.289 121.628 121.223 0.193 0.000 2.857 417 L HA 0.300 4.642 4.340 0.002 0.000 0.249 417 L C 0.241 177.249 176.870 0.231 0.000 1.172 417 L CA -0.557 54.412 54.840 0.215 0.000 0.980 417 L CB 1.135 43.258 42.059 0.106 0.000 1.299 417 L HN -0.067 nan 8.230 nan 0.000 0.535 418 V N 1.572 121.558 119.914 0.120 0.000 2.644 418 V HA 0.125 4.246 4.120 0.002 0.000 0.305 418 V C 1.451 177.569 176.094 0.041 0.000 1.053 418 V CA 1.693 63.990 62.300 -0.004 0.000 1.186 418 V CB 0.611 32.221 31.823 -0.356 0.000 0.895 418 V HN 0.729 nan 8.190 nan 0.000 0.490 419 G N 4.498 113.395 108.800 0.161 0.000 2.199 419 G HA2 -0.248 3.713 3.960 0.002 0.000 0.254 419 G HA3 -0.248 3.713 3.960 0.002 0.000 0.254 419 G C 0.430 175.595 174.900 0.441 0.000 0.982 419 G CA 0.554 45.836 45.100 0.304 0.000 0.632 419 G HN 0.803 nan 8.290 nan 0.000 0.529 420 E N -0.292 120.153 120.200 0.409 0.000 2.501 420 E HA 0.423 4.774 4.350 0.002 0.000 0.201 420 E C 1.570 178.537 176.600 0.611 0.000 1.016 420 E CA 0.266 56.966 56.400 0.500 0.000 0.920 420 E CB 0.422 30.445 29.700 0.539 0.000 1.023 420 E HN 1.373 nan 8.360 nan 0.000 0.474 421 G N 1.460 110.566 108.800 0.510 0.000 2.132 421 G HA2 -0.263 3.698 3.960 0.002 0.000 0.228 421 G HA3 -0.263 3.698 3.960 0.002 0.000 0.228 421 G C 0.462 175.538 174.900 0.295 0.000 1.000 421 G CA 0.233 45.535 45.100 0.337 0.000 0.693 421 G HN 0.414 nan 8.290 nan 0.000 0.515 422 H N -1.223 118.111 119.070 0.441 0.000 2.545 422 H HA 0.137 4.694 4.556 0.002 0.000 0.283 422 H C 2.561 178.137 175.328 0.413 0.000 0.997 422 H CA 0.894 57.238 56.048 0.492 0.000 1.269 422 H CB 0.292 30.297 29.762 0.406 0.000 1.451 422 H HN 0.333 nan 8.280 nan 0.000 0.508 423 R N 1.510 122.268 120.500 0.430 0.000 2.094 423 R HA -0.177 4.164 4.340 0.002 0.000 0.239 423 R C 2.157 178.619 176.300 0.269 0.000 1.137 423 R CA 1.621 57.910 56.100 0.314 0.000 0.943 423 R CB -1.194 29.261 30.300 0.257 0.000 0.850 423 R HN 0.191 nan 8.270 nan 0.000 0.433 424 F N 0.064 120.047 119.950 0.055 0.000 2.065 424 F HA -0.208 4.320 4.527 0.002 0.000 0.298 424 F C 1.645 177.462 175.800 0.028 0.000 1.112 424 F CA 1.754 59.724 58.000 -0.049 0.000 1.212 424 F CB -0.580 38.254 39.000 -0.277 0.000 0.975 424 F HN 0.043 nan 8.300 nan 0.000 0.476 425 F N 0.917 120.943 119.950 0.127 0.000 2.186 425 F HA -0.143 4.385 4.527 0.001 0.000 0.299 425 F C 2.380 178.170 175.800 -0.017 0.000 1.090 425 F CA 1.500 59.519 58.000 0.032 0.000 1.307 425 F CB -1.143 38.067 39.000 0.351 0.000 1.019 425 F HN -0.001 nan 8.300 nan 0.000 0.489 426 D N 0.095 120.655 120.400 0.267 0.000 2.144 426 D HA -0.094 4.547 4.640 0.002 0.000 0.200 426 D C 2.488 178.820 176.300 0.054 0.000 0.978 426 D CA 0.974 55.063 54.000 0.147 0.000 0.833 426 D CB -0.409 40.523 40.800 0.220 0.000 0.961 426 D HN 0.230 nan 8.370 nan 0.000 0.470 427 L N -0.060 121.185 121.223 0.036 0.000 2.044 427 L HA -0.110 4.231 4.340 0.002 0.000 0.205 427 L C 2.413 179.228 176.870 -0.091 0.000 1.075 427 L CA 0.414 55.242 54.840 -0.020 0.000 0.747 427 L CB -0.246 41.816 42.059 0.005 0.000 0.903 427 L HN 0.029 nan 8.230 nan 0.000 0.435 428 L N 0.406 121.544 121.223 -0.140 0.000 2.017 428 L HA -0.200 4.141 4.340 0.002 0.000 0.208 428 L C 2.890 179.796 176.870 0.060 0.000 1.073 428 L CA 1.632 56.399 54.840 -0.121 0.000 0.745 428 L CB -0.415 41.465 42.059 -0.299 0.000 0.894 428 L HN 0.241 nan 8.230 nan 0.000 0.432 429 R N -1.343 119.205 120.500 0.080 0.000 2.237 429 R HA -0.063 4.278 4.340 0.002 0.000 0.219 429 R C 1.012 177.410 176.300 0.163 0.000 1.080 429 R CA 1.304 57.511 56.100 0.177 0.000 0.995 429 R CB -0.670 29.620 30.300 -0.017 0.000 0.875 429 R HN 0.360 nan 8.270 nan 0.000 0.462 430 N N 0.793 119.503 118.700 0.016 0.000 2.276 430 N HA 0.052 4.793 4.740 0.002 0.000 0.212 430 N C 0.232 175.613 175.510 -0.214 0.000 1.127 430 N CA 0.826 53.859 53.050 -0.030 0.000 0.834 430 N CB 1.108 39.576 38.487 -0.032 0.000 1.014 430 N HN 0.559 nan 8.380 nan 0.000 0.491 431 G N 1.317 109.794 108.800 -0.538 0.000 2.225 431 G HA2 -0.271 3.690 3.960 0.002 0.000 0.267 431 G HA3 -0.271 3.690 3.960 0.002 0.000 0.267 431 G C 0.120 174.596 174.900 -0.707 0.000 1.024 431 G CA 0.345 44.683 45.100 -1.270 0.000 0.784 431 G HN 0.150 nan 8.290 nan 0.000 0.507 432 K N 0.206 120.357 120.400 -0.415 0.000 2.098 432 K HA 0.531 4.852 4.320 0.002 0.000 0.257 432 K C 0.419 176.879 176.600 -0.233 0.000 0.999 432 K CA -0.244 55.890 56.287 -0.255 0.000 0.924 432 K CB 0.770 33.188 32.500 -0.138 0.000 1.028 432 K HN 0.101 nan 8.250 nan 0.000 0.466 433 T N 2.123 116.580 114.554 -0.162 0.000 2.744 433 T HA 0.385 4.736 4.350 0.002 0.000 0.291 433 T C 0.627 175.282 174.700 -0.076 0.000 0.957 433 T CA -0.524 61.502 62.100 -0.123 0.000 1.002 433 T CB 0.204 69.005 68.868 -0.111 0.000 0.919 433 T HN 0.273 nan 8.240 nan 0.000 0.468 434 I N 3.608 124.148 120.570 -0.050 0.000 2.379 434 I HA 0.202 4.373 4.170 0.002 0.000 0.290 434 I C -0.052 176.040 176.117 -0.042 0.000 1.063 434 I CA -0.555 60.745 61.300 -0.002 0.000 1.351 434 I CB 0.656 38.705 38.000 0.080 0.000 1.410 434 I HN 0.239 nan 8.210 nan 0.000 0.505 435 V N 7.758 127.655 119.914 -0.028 0.000 2.350 435 V HA 0.378 4.499 4.120 0.002 0.000 0.276 435 V C 0.141 176.201 176.094 -0.057 0.000 1.028 435 V CA -0.572 61.693 62.300 -0.058 0.000 0.860 435 V CB 1.044 32.843 31.823 -0.040 0.000 0.990 435 V HN 0.689 nan 8.190 nan 0.000 0.453 436 R N 4.848 125.250 120.500 -0.163 0.000 2.547 436 R HA 0.506 4.847 4.340 0.002 0.000 0.280 436 R C -0.532 175.420 176.300 -0.581 0.000 1.630 436 R CA -0.586 55.289 56.100 -0.374 0.000 1.470 436 R CB 1.220 31.327 30.300 -0.322 0.000 1.178 436 R HN 0.837 nan 8.270 nan 0.000 0.591 437 K N -0.141 120.052 120.400 -0.344 0.000 2.533 437 K HA 0.770 5.091 4.320 0.002 0.000 0.272 437 K C 0.013 176.657 176.600 0.073 0.000 0.985 437 K CA -0.557 55.637 56.287 -0.156 0.000 0.876 437 K CB 1.739 34.182 32.500 -0.096 0.000 1.452 437 K HN 0.318 nan 8.250 nan 0.000 0.439 438 G N 0.428 109.293 108.800 0.109 0.000 2.569 438 G HA2 0.062 4.023 3.960 0.002 0.000 0.259 438 G HA3 0.062 4.023 3.960 0.002 0.000 0.259 438 G C 0.660 175.686 174.900 0.209 0.000 1.263 438 G CA 0.643 45.829 45.100 0.143 0.000 0.928 438 G HN 1.861 nan 8.290 nan 0.000 0.572 439 G N -1.371 107.507 108.800 0.130 0.000 2.622 439 G HA2 0.033 3.995 3.960 0.002 0.000 0.307 439 G HA3 0.033 3.995 3.960 0.002 0.000 0.307 439 G C 0.705 175.692 174.900 0.144 0.000 1.226 439 G CA 2.404 47.538 45.100 0.057 0.000 0.997 439 G HN 2.540 nan 8.290 nan 0.000 0.551 440 Y N -0.562 119.812 120.300 0.124 0.000 2.734 440 Y HA 0.631 5.182 4.550 0.002 0.000 0.278 440 Y C 0.846 176.828 175.900 0.138 0.000 1.108 440 Y CA -0.901 57.278 58.100 0.131 0.000 1.211 440 Y CB -0.739 37.794 38.460 0.120 0.000 1.182 440 Y HN 0.565 nan 8.280 nan 0.000 0.547 441 H N 1.887 121.079 119.070 0.204 0.000 2.948 441 H HA 0.134 4.691 4.556 0.002 0.000 0.351 441 H C 0.442 175.946 175.328 0.295 0.000 1.079 441 H CA 0.457 56.668 56.048 0.271 0.000 1.407 441 H CB 1.272 31.166 29.762 0.221 0.000 1.373 441 H HN 0.360 nan 8.280 nan 0.000 0.605 442 L N 3.865 125.393 121.223 0.508 0.000 2.464 442 L HA 0.153 4.494 4.340 0.002 0.000 0.264 442 L C -1.715 175.320 176.870 0.275 0.000 1.199 442 L CA -1.863 53.201 54.840 0.374 0.000 0.818 442 L CB -0.148 42.164 42.059 0.422 0.000 1.102 442 L HN 0.386 nan 8.230 nan 0.000 0.473 443 P HA 0.045 nan 4.420 nan 0.000 0.267 443 P C 0.208 177.566 177.300 0.097 0.000 1.200 443 P CA 0.150 63.326 63.100 0.126 0.000 0.772 443 P CB 0.769 32.529 31.700 0.100 0.000 0.855 444 S N -1.982 113.749 115.700 0.052 0.000 3.127 444 S HA -0.156 4.315 4.470 0.002 0.000 0.281 444 S C 0.500 175.084 174.600 -0.027 0.000 1.293 444 S CA 0.750 58.959 58.200 0.015 0.000 1.156 444 S CB -2.012 61.205 63.200 0.029 0.000 1.389 444 S HN 0.552 nan 8.310 nan 0.000 0.672 445 V N 2.799 122.688 119.914 -0.042 0.000 2.901 445 V HA 0.052 4.174 4.120 0.002 0.000 0.307 445 V C 0.441 176.408 176.094 -0.211 0.000 1.084 445 V CA 0.337 62.523 62.300 -0.190 0.000 1.184 445 V CB 0.619 32.303 31.823 -0.232 0.000 0.941 445 V HN 0.341 nan 8.190 nan 0.000 0.493 446 D N 5.837 126.071 120.400 -0.276 0.000 2.346 446 D HA 0.085 4.726 4.640 0.002 0.000 0.260 446 D C 0.801 176.883 176.300 -0.363 0.000 1.252 446 D CA 0.221 54.005 54.000 -0.359 0.000 0.895 446 D CB 1.144 41.606 40.800 -0.564 0.000 1.097 446 D HN 0.683 nan 8.370 nan 0.000 0.489 447 E N 1.449 121.470 120.200 -0.299 0.000 2.285 447 E HA -0.040 4.311 4.350 0.002 0.000 0.194 447 E C -0.070 176.384 176.600 -0.242 0.000 0.997 447 E CA 0.649 56.896 56.400 -0.256 0.000 0.845 447 E CB 0.483 30.072 29.700 -0.185 0.000 0.782 447 E HN 0.496 nan 8.360 nan 0.000 0.491 448 E N 0.743 120.769 120.200 -0.290 0.000 2.241 448 E HA 0.352 4.703 4.350 0.002 0.000 0.263 448 E C -1.422 174.951 176.600 -0.377 0.000 0.882 448 E CA -0.380 55.865 56.400 -0.258 0.000 0.769 448 E CB 2.829 32.413 29.700 -0.193 0.000 1.185 448 E HN -0.168 nan 8.360 nan 0.000 0.415 449 V N 3.353 123.093 119.914 -0.290 0.000 2.531 449 V HA 0.353 4.474 4.120 0.002 0.000 0.301 449 V C -0.517 175.533 176.094 -0.072 0.000 1.034 449 V CA -0.631 61.498 62.300 -0.285 0.000 0.865 449 V CB 1.748 33.426 31.823 -0.241 0.000 0.995 449 V HN 0.783 nan 8.190 nan 0.000 0.424 450 D N 2.733 123.144 120.400 0.018 0.000 2.798 450 D HA 0.251 4.892 4.640 0.002 0.000 0.308 450 D C 0.215 176.675 176.300 0.267 0.000 1.187 450 D CA -0.771 53.250 54.000 0.034 0.000 1.033 450 D CB 0.725 41.475 40.800 -0.083 0.000 1.445 450 D HN 0.430 nan 8.370 nan 0.000 0.550 451 W N -0.144 121.254 121.300 0.164 0.000 3.077 451 W HA 0.312 4.973 4.660 0.002 0.000 0.245 451 W C -0.075 176.648 176.519 0.339 0.000 1.316 451 W CA -0.051 57.447 57.345 0.255 0.000 1.537 451 W CB -0.914 28.673 29.460 0.211 0.000 1.131 451 W HN 0.135 nan 8.180 nan 0.000 0.695 452 D N -0.235 120.545 120.400 0.633 0.000 2.360 452 D HA -0.005 4.636 4.640 0.002 0.000 0.210 452 D C 0.042 176.620 176.300 0.464 0.000 1.047 452 D CA -0.002 54.271 54.000 0.456 0.000 0.854 452 D CB -0.219 40.779 40.800 0.331 0.000 0.936 452 D HN 0.000 nan 8.370 nan 0.000 0.514 453 F N 2.544 122.654 119.950 0.266 0.000 2.506 453 F HA 0.026 4.555 4.527 0.003 0.000 0.371 453 F C 1.134 177.069 175.800 0.225 0.000 1.078 453 F CA -1.252 56.847 58.000 0.164 0.000 1.195 453 F CB 0.239 39.237 39.000 -0.002 0.000 1.099 453 F HN -0.068 nan 8.300 nan 0.000 0.548 454 Y N 3.315 123.497 120.300 -0.196 0.000 2.421 454 Y HA 0.023 4.573 4.550 0.001 0.000 0.292 454 Y C 1.183 176.839 175.900 -0.405 0.000 1.136 454 Y CA 1.221 59.212 58.100 -0.181 0.000 1.255 454 Y CB -0.608 37.728 38.460 -0.206 0.000 0.991 454 Y HN 0.500 nan 8.280 nan 0.000 0.552 455 K N 0.712 120.235 120.400 -1.463 0.000 2.437 455 K HA 0.129 4.450 4.320 0.002 0.000 0.198 455 K C 1.417 177.928 176.600 -0.147 0.000 1.024 455 K CA 0.483 56.242 56.287 -0.880 0.000 1.148 455 K CB -0.315 31.573 32.500 -1.020 0.000 0.860 455 K HN 0.640 nan 8.250 nan 0.000 0.515 456 C N -0.441 118.831 119.300 -0.045 0.000 2.491 456 C HA 0.105 4.566 4.460 0.002 0.000 0.277 456 C C 1.037 176.168 174.990 0.235 0.000 1.455 456 C CA -0.793 58.449 59.018 0.373 0.000 1.758 456 C CB -1.708 26.292 27.740 0.432 0.000 1.745 456 C HN 0.108 nan 8.230 nan 0.000 0.558 457 V N -1.989 117.928 119.914 0.005 0.000 2.864 457 V HA 0.643 4.764 4.120 0.002 0.000 0.314 457 V C -0.314 175.805 176.094 0.042 0.000 1.073 457 V CA -1.066 61.229 62.300 -0.007 0.000 0.956 457 V CB 1.439 33.184 31.823 -0.129 0.000 1.023 457 V HN 0.279 nan 8.190 nan 0.000 0.435 458 L N 3.705 124.815 121.223 -0.188 0.000 2.436 458 L HA 0.444 4.785 4.340 0.002 0.000 0.265 458 L C -1.950 174.816 176.870 -0.173 0.000 1.168 458 L CA -1.502 53.162 54.840 -0.293 0.000 0.815 458 L CB 1.196 42.869 42.059 -0.643 0.000 1.109 458 L HN 0.544 nan 8.230 nan 0.000 0.462 459 P HA 0.113 nan 4.420 nan 0.000 0.277 459 P C -0.716 176.534 177.300 -0.083 0.000 1.240 459 P CA -0.490 62.252 63.100 -0.596 0.000 0.798 459 P CB 0.795 31.828 31.700 -1.111 0.000 0.979 460 I N 3.048 123.579 120.570 -0.064 0.000 2.668 460 I HA 0.062 4.233 4.170 0.002 0.000 0.285 460 I C -1.934 173.917 176.117 -0.444 0.000 1.168 460 I CA -2.185 58.918 61.300 -0.327 0.000 1.424 460 I CB -0.814 37.064 38.000 -0.203 0.000 1.377 460 I HN 0.169 nan 8.210 nan 0.000 0.560 461 P HA 0.018 nan 4.420 nan 0.000 0.265 461 P C 0.889 177.925 177.300 -0.440 0.000 1.193 461 P CA 0.014 62.775 63.100 -0.564 0.000 0.765 461 P CB 0.640 31.873 31.700 -0.779 0.000 0.823 462 E N 2.934 123.038 120.200 -0.159 0.000 2.130 462 E HA -0.294 4.058 4.350 0.002 0.000 0.196 462 E C 1.057 177.618 176.600 -0.065 0.000 0.998 462 E CA 1.664 58.097 56.400 0.055 0.000 0.806 462 E CB -0.113 29.624 29.700 0.060 0.000 0.738 462 E HN 0.511 nan 8.360 nan 0.000 0.459 463 D N -0.013 120.275 120.400 -0.186 0.000 2.310 463 D HA -0.206 4.435 4.640 0.002 0.000 0.212 463 D C 1.504 177.642 176.300 -0.269 0.000 0.965 463 D CA 0.617 54.505 54.000 -0.186 0.000 0.879 463 D CB -0.362 40.352 40.800 -0.145 0.000 0.921 463 D HN 0.185 nan 8.370 nan 0.000 0.510 464 Q N -0.260 119.253 119.800 -0.477 0.000 2.234 464 Q HA -0.093 4.248 4.340 0.002 0.000 0.206 464 Q C 1.615 177.322 176.000 -0.488 0.000 0.980 464 Q CA 0.731 56.218 55.803 -0.527 0.000 0.869 464 Q CB -0.652 27.622 28.738 -0.773 0.000 0.912 464 Q HN 0.466 nan 8.270 nan 0.000 0.436 465 F N -0.170 119.719 119.950 -0.102 0.000 2.748 465 F HA 0.055 4.580 4.527 -0.003 0.000 0.299 465 F C 1.975 177.717 175.800 -0.097 0.000 1.154 465 F CA -0.097 57.859 58.000 -0.074 0.000 1.446 465 F CB -0.571 38.388 39.000 -0.069 0.000 1.112 465 F HN -0.011 nan 8.300 nan 0.000 0.584 466 I N -0.949 119.573 120.570 -0.081 0.000 2.142 466 I HA -0.304 3.867 4.170 0.002 0.000 0.240 466 I C 1.889 177.847 176.117 -0.265 0.000 1.078 466 I CA 1.651 62.799 61.300 -0.253 0.000 1.343 466 I CB -0.386 37.325 38.000 -0.481 0.000 1.046 466 I HN 0.010 nan 8.210 nan 0.000 0.405 467 F N 0.033 119.979 119.950 -0.006 0.000 2.619 467 F HA 0.105 4.630 4.527 -0.003 0.000 0.293 467 F C 1.223 177.027 175.800 0.006 0.000 1.119 467 F CA 0.213 58.210 58.000 -0.004 0.000 1.445 467 F CB -0.047 38.944 39.000 -0.016 0.000 1.119 467 F HN -0.158 nan 8.300 nan 0.000 0.573 468 S N 1.606 117.401 115.700 0.158 0.000 2.062 468 S HA 0.210 4.681 4.470 0.002 0.000 0.163 468 S C -1.837 172.882 174.600 0.199 0.000 1.612 468 S CA -0.871 57.408 58.200 0.133 0.000 1.251 468 S CB 0.690 63.938 63.200 0.081 0.000 1.174 468 S HN -0.033 nan 8.310 nan 0.000 0.428 469 P HA -0.077 nan 4.420 nan 0.000 0.222 469 P C 0.338 177.727 177.300 0.147 0.000 1.147 469 P CA 0.941 64.147 63.100 0.177 0.000 0.790 469 P CB 0.380 32.130 31.700 0.083 0.000 0.780 473 Q N 1.779 121.717 119.800 0.230 0.000 2.306 473 Q HA 0.215 4.556 4.340 0.002 0.000 0.241 473 Q C -0.416 175.748 176.000 0.273 0.000 0.948 473 Q CA -0.164 55.809 55.803 0.282 0.000 0.886 473 Q CB 0.686 29.517 28.738 0.155 0.000 1.227 473 Q HN 0.321 nan 8.270 nan 0.000 0.457 474 N N 3.516 122.417 118.700 0.335 0.000 2.454 474 N HA 0.128 4.869 4.740 0.002 0.000 0.254 474 N C -2.348 173.422 175.510 0.434 0.000 1.228 474 N CA -0.812 52.490 53.050 0.421 0.000 0.900 474 N CB 0.050 38.834 38.487 0.493 0.000 1.089 474 N HN 0.496 nan 8.380 nan 0.000 0.449 475 P HA 0.052 nan 4.420 nan 0.000 0.266 475 P C 0.892 178.292 177.300 0.167 0.000 1.195 475 P CA 0.389 63.620 63.100 0.218 0.000 0.768 475 P CB 0.469 32.276 31.700 0.179 0.000 0.838 476 G N 1.270 110.039 108.800 -0.051 0.000 2.336 476 G HA2 -0.260 3.701 3.960 0.002 0.000 0.233 476 G HA3 -0.260 3.701 3.960 0.002 0.000 0.233 476 G C -0.174 174.493 174.900 -0.389 0.000 1.053 476 G CA -0.284 44.524 45.100 -0.486 0.000 0.625 476 G HN 0.462 nan 8.290 nan 0.000 0.511 477 Y N 3.480 123.837 120.300 0.095 0.000 2.326 477 Y HA 0.480 5.032 4.550 0.003 0.000 0.333 477 Y C -1.081 174.848 175.900 0.048 0.000 1.240 477 Y CA -1.198 56.999 58.100 0.163 0.000 1.365 477 Y CB 0.410 38.998 38.460 0.214 0.000 1.289 477 Y HN 0.121 nan 8.280 nan 0.000 0.548 478 P HA 0.168 nan 4.420 nan 0.000 0.274 478 P C -1.324 176.007 177.300 0.051 0.000 1.237 478 P CA -0.630 62.524 63.100 0.091 0.000 0.793 478 P CB 0.999 32.748 31.700 0.082 0.000 0.977 479 K N 1.880 122.259 120.400 -0.035 0.000 2.559 479 K HA 0.252 4.573 4.320 0.002 0.000 0.249 479 K C -0.064 176.466 176.600 -0.117 0.000 0.958 479 K CA -0.603 55.597 56.287 -0.144 0.000 0.901 479 K CB 0.758 33.103 32.500 -0.259 0.000 1.124 479 K HN 0.314 nan 8.250 nan 0.000 0.437 480 N N 0.000 118.648 118.700 -0.087 0.000 1.763 480 N HA 0.000 4.741 4.740 0.002 0.000 0.220 480 N CA 0.000 53.017 53.050 -0.055 0.000 0.885 480 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 480 N HN 0.000 nan 8.380 nan 0.000 0.667