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 3kr5_1_B DATA FIRST_RESID 86 DATA SEQUENCE SEVPQVVSLD PTSIPIEYNT PIHDIKVQVY DIKGGCNVEE GLTIFLVNNP DATA SEQUENCE GKENGPVKIS SKVNDKQVSE FLKDENMEKF NVKLGTSKHF YMFNDNKNSV DATA SEQUENCE AVGYVGCGSV ADLSEADMKR VVLSLVTMLH DNKLSKLTVV FEINVDKNLF DATA SEQUENCE RFFLETLFYE YMTDERFKST DKNVNMEYIK HLGVYINNAD TYKEEVEKAR DATA SEQUENCE VYYFGTYYAS QLIAAPSNYC NPVSLSNAAV ELAQKLNLEY KILGVKELEE DATA SEQUENCE LKMGAYLSVG KGSMYPNKFI HLTYKSKGDV KKKIALVGKG ITFDSGGYNL DATA SEQUENCE KAAPGSMIDL MKFDMSGCAA VLGCAYCVGT LKPENVEIHF LSAVCENMVS DATA SEQUENCE KNSYRPGDII TASNGKTIEV GNTDAEGRLT LADALVYAEK LGVDYIVDIA DATA SEQUENCE TLTGAMLYSL GTSYAGVFGN NEELINKILQ SSKTSNEPVW WLPIINEYRA DATA SEQUENCE TLNSKYADIN QISSSVKASS IVASLFLKEF VQNTAWAHID IAGVSWNFKA DATA SEQUENCE RKPKGFGVRL LTEFVLND 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 86 S HA 0.000 nan 4.470 nan 0.000 0.327 86 S C 0.000 174.637 174.600 0.061 0.000 1.055 86 S CA 0.000 58.242 58.200 0.069 0.000 1.107 86 S CB 0.000 63.242 63.200 0.070 0.000 0.593 87 E N 1.597 121.833 120.200 0.061 0.000 2.174 87 E HA 0.645 4.995 4.350 -0.000 0.000 0.282 87 E C -0.500 176.144 176.600 0.074 0.000 0.992 87 E CA -0.300 56.135 56.400 0.058 0.000 0.803 87 E CB 1.377 31.106 29.700 0.048 0.000 1.090 87 E HN 0.461 nan 8.360 nan 0.000 0.396 88 V N 6.198 126.157 119.914 0.075 0.000 2.415 88 V HA 0.239 4.359 4.120 -0.000 0.000 0.267 88 V C -1.632 174.535 176.094 0.122 0.000 1.042 88 V CA -1.107 61.258 62.300 0.109 0.000 1.000 88 V CB 0.643 32.512 31.823 0.077 0.000 1.015 88 V HN 0.797 nan 8.190 nan 0.000 0.478 89 P HA 0.222 nan 4.420 nan 0.000 0.271 89 P C -0.788 176.564 177.300 0.088 0.000 1.244 89 P CA -0.299 62.847 63.100 0.075 0.000 0.793 89 P CB 0.866 32.570 31.700 0.007 0.000 0.984 90 Q N -0.656 119.152 119.800 0.013 0.000 2.377 90 Q HA 0.277 4.617 4.340 -0.000 0.000 0.279 90 Q C 0.316 176.296 176.000 -0.033 0.000 1.049 90 Q CA -0.814 54.992 55.803 0.006 0.000 0.825 90 Q CB 2.357 31.099 28.738 0.006 0.000 1.401 90 Q HN 0.012 nan 8.270 nan 0.000 0.404 91 V N 0.376 120.266 119.914 -0.039 0.000 2.492 91 V HA 0.050 4.170 4.120 -0.000 0.000 0.241 91 V C 0.551 176.626 176.094 -0.033 0.000 1.041 91 V CA 0.807 63.078 62.300 -0.048 0.000 1.057 91 V CB 0.902 32.692 31.823 -0.056 0.000 0.711 91 V HN 0.626 nan 8.190 nan 0.000 0.468 92 V N -1.982 117.914 119.914 -0.029 0.000 2.864 92 V HA 0.568 4.688 4.120 -0.000 0.000 0.314 92 V C 1.275 177.357 176.094 -0.021 0.000 1.073 92 V CA 0.102 62.388 62.300 -0.024 0.000 0.956 92 V CB 1.455 33.263 31.823 -0.025 0.000 1.023 92 V HN 0.288 nan 8.190 nan 0.000 0.435 93 S N 2.610 118.301 115.700 -0.015 0.000 2.420 93 S HA -0.128 4.342 4.470 -0.000 0.000 0.237 93 S C 1.253 175.844 174.600 -0.015 0.000 1.023 93 S CA 1.884 60.077 58.200 -0.011 0.000 0.991 93 S CB -0.875 62.322 63.200 -0.006 0.000 0.792 93 S HN 0.812 nan 8.310 nan 0.000 0.488 94 L N 1.181 122.392 121.223 -0.020 0.000 2.627 94 L HA 0.298 4.638 4.340 -0.000 0.000 0.232 94 L C -0.269 176.569 176.870 -0.055 0.000 1.150 94 L CA -0.202 54.623 54.840 -0.026 0.000 0.917 94 L CB -0.427 41.622 42.059 -0.017 0.000 1.104 94 L HN 0.117 nan 8.230 nan 0.000 0.445 95 D N 2.282 122.646 120.400 -0.060 0.000 2.312 95 D HA 0.199 4.839 4.640 -0.000 0.000 0.252 95 D C -2.031 174.189 176.300 -0.133 0.000 1.150 95 D CA -1.494 52.447 54.000 -0.099 0.000 0.870 95 D CB 1.059 41.828 40.800 -0.051 0.000 1.153 95 D HN -0.051 nan 8.370 nan 0.000 0.457 96 P HA 0.029 nan 4.420 nan 0.000 0.269 96 P C 0.542 177.772 177.300 -0.116 0.000 1.215 96 P CA -0.081 62.859 63.100 -0.268 0.000 0.780 96 P CB 0.619 31.878 31.700 -0.736 0.000 0.898 97 T N -3.144 111.394 114.554 -0.028 0.000 3.091 97 T HA 0.315 4.665 4.350 -0.000 0.000 0.277 97 T C 0.253 174.977 174.700 0.040 0.000 0.996 97 T CA -0.163 61.945 62.100 0.014 0.000 0.897 97 T CB -0.452 68.430 68.868 0.024 0.000 1.109 97 T HN 0.587 nan 8.240 nan 0.000 0.534 98 S N 0.494 116.237 115.700 0.072 0.000 2.552 98 S HA 0.634 5.104 4.470 -0.000 0.000 0.272 98 S C -1.182 173.524 174.600 0.176 0.000 1.150 98 S CA -1.194 57.064 58.200 0.097 0.000 0.849 98 S CB 0.652 63.904 63.200 0.085 0.000 1.113 98 S HN 0.320 nan 8.310 nan 0.000 0.458 99 I N 2.185 122.837 120.570 0.137 0.000 2.371 99 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 99 I C -2.250 173.901 176.117 0.057 0.000 1.028 99 I CA -2.156 59.233 61.300 0.148 0.000 1.345 99 I CB 0.713 38.749 38.000 0.060 0.000 1.407 99 I HN 0.438 nan 8.210 nan 0.000 0.501 100 P HA 0.285 nan 4.420 nan 0.000 0.271 100 P C -0.685 176.504 177.300 -0.185 0.000 1.233 100 P CA 0.284 63.296 63.100 -0.147 0.000 0.764 100 P CB 0.390 31.856 31.700 -0.390 0.000 0.825 101 I N 1.105 121.602 120.570 -0.122 0.000 2.478 101 I HA 0.139 4.309 4.170 -0.000 0.000 0.287 101 I C 0.042 176.072 176.117 -0.146 0.000 1.042 101 I CA -0.769 60.405 61.300 -0.210 0.000 1.067 101 I CB 2.497 40.310 38.000 -0.311 0.000 1.233 101 I HN 0.120 nan 8.210 nan 0.000 0.431 102 E N 5.773 125.917 120.200 -0.094 0.000 2.035 102 E HA 0.267 4.617 4.350 -0.000 0.000 0.271 102 E C -0.554 176.132 176.600 0.143 0.000 0.953 102 E CA -0.152 56.279 56.400 0.052 0.000 0.777 102 E CB 0.564 30.308 29.700 0.073 0.000 1.104 102 E HN 0.527 nan 8.360 nan 0.000 0.408 103 Y N 2.778 123.135 120.300 0.095 0.000 2.230 103 Y HA 0.223 4.773 4.550 -0.000 0.000 0.294 103 Y C 1.670 177.353 175.900 -0.361 0.000 1.120 103 Y CA 0.729 58.779 58.100 -0.083 0.000 1.129 103 Y CB 0.161 38.517 38.460 -0.173 0.000 1.040 103 Y HN 0.421 nan 8.280 nan 0.000 0.519 104 N N 1.121 119.787 118.700 -0.057 0.000 2.605 104 N HA 0.070 4.810 4.740 -0.000 0.000 0.258 104 N C -0.571 174.947 175.510 0.012 0.000 1.156 104 N CA -0.175 52.795 53.050 -0.134 0.000 1.008 104 N CB 0.209 38.620 38.487 -0.126 0.000 1.354 104 N HN 0.143 nan 8.380 nan 0.000 0.509 105 T N 0.373 115.032 114.554 0.175 0.000 2.899 105 T HA 0.244 4.594 4.350 -0.000 0.000 0.295 105 T C -1.595 173.032 174.700 -0.122 0.000 1.033 105 T CA -1.617 60.513 62.100 0.050 0.000 1.084 105 T CB 1.413 70.339 68.868 0.098 0.000 0.979 105 T HN 0.135 nan 8.240 nan 0.000 0.532 106 P HA -0.055 nan 4.420 nan 0.000 0.221 106 P C 1.631 178.617 177.300 -0.524 0.000 1.145 106 P CA 0.560 63.378 63.100 -0.469 0.000 0.795 106 P CB -0.098 31.071 31.700 -0.885 0.000 0.775 107 I N -1.113 119.065 120.570 -0.652 0.000 2.208 107 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 107 I C 1.965 177.665 176.117 -0.695 0.000 1.097 107 I CA 1.936 62.767 61.300 -0.782 0.000 1.363 107 I CB -1.597 35.713 38.000 -1.151 0.000 1.051 107 I HN 0.179 nan 8.210 nan 0.000 0.413 108 H N 0.762 119.630 119.070 -0.336 0.000 2.456 108 H HA -0.109 4.447 4.556 -0.000 0.000 0.296 108 H C 1.423 176.616 175.328 -0.226 0.000 1.079 108 H CA 1.245 57.145 56.048 -0.247 0.000 1.322 108 H CB -0.106 29.552 29.762 -0.174 0.000 1.388 108 H HN 0.329 nan 8.280 nan 0.000 0.538 109 D N 0.446 120.765 120.400 -0.135 0.000 2.363 109 D HA -0.008 4.632 4.640 -0.000 0.000 0.226 109 D C 0.269 176.462 176.300 -0.178 0.000 1.020 109 D CA 0.399 54.320 54.000 -0.132 0.000 0.892 109 D CB 0.133 40.864 40.800 -0.114 0.000 0.900 109 D HN 0.413 nan 8.370 nan 0.000 0.531 110 I N 1.644 122.073 120.570 -0.235 0.000 2.379 110 I HA 0.006 4.176 4.170 -0.000 0.000 0.290 110 I C 0.959 176.955 176.117 -0.203 0.000 1.063 110 I CA -0.213 60.952 61.300 -0.224 0.000 1.351 110 I CB 0.647 38.507 38.000 -0.233 0.000 1.410 110 I HN -0.391 nan 8.210 nan 0.000 0.505 111 K N 5.902 126.154 120.400 -0.246 0.000 2.322 111 K HA 0.371 4.691 4.320 -0.000 0.000 0.283 111 K C -1.025 175.542 176.600 -0.055 0.000 1.042 111 K CA -0.283 55.908 56.287 -0.160 0.000 0.958 111 K CB 1.057 33.437 32.500 -0.199 0.000 0.984 111 K HN 0.365 nan 8.250 nan 0.000 0.473 112 V N 5.353 125.255 119.914 -0.020 0.000 2.407 112 V HA 0.200 4.320 4.120 -0.000 0.000 0.291 112 V C -0.532 175.531 176.094 -0.051 0.000 1.018 112 V CA -0.955 61.350 62.300 0.008 0.000 0.842 112 V CB 1.557 33.421 31.823 0.068 0.000 0.996 112 V HN 0.685 nan 8.190 nan 0.000 0.426 113 Q N 3.469 123.178 119.800 -0.152 0.000 2.293 113 Q HA 0.643 4.983 4.340 -0.000 0.000 0.261 113 Q C -0.723 174.892 176.000 -0.642 0.000 0.960 113 Q CA -0.518 55.038 55.803 -0.411 0.000 0.882 113 Q CB 2.698 31.089 28.738 -0.579 0.000 1.275 113 Q HN 0.559 nan 8.270 nan 0.000 0.445 114 V N 2.791 122.375 119.914 -0.549 0.000 2.547 114 V HA 0.539 4.659 4.120 -0.000 0.000 0.299 114 V C -0.768 174.996 176.094 -0.550 0.000 1.040 114 V CA -0.738 61.265 62.300 -0.495 0.000 0.913 114 V CB 0.959 32.659 31.823 -0.205 0.000 0.992 114 V HN 0.638 nan 8.190 nan 0.000 0.449 115 Y N 0.418 120.562 120.300 -0.261 0.000 2.457 115 Y HA 0.369 4.919 4.550 -0.000 0.000 0.343 115 Y C -0.079 175.753 175.900 -0.113 0.000 0.994 115 Y CA -1.028 56.907 58.100 -0.275 0.000 1.031 115 Y CB 2.053 40.080 38.460 -0.721 0.000 1.246 115 Y HN 0.531 nan 8.280 nan 0.000 0.449 116 D N 3.461 123.962 120.400 0.167 0.000 2.325 116 D HA 0.064 4.704 4.640 -0.000 0.000 0.251 116 D C 1.059 177.501 176.300 0.237 0.000 1.196 116 D CA 0.403 54.493 54.000 0.150 0.000 0.866 116 D CB 1.200 42.057 40.800 0.095 0.000 1.101 116 D HN 0.759 nan 8.370 nan 0.000 0.476 117 I N 4.277 124.997 120.570 0.249 0.000 2.367 117 I HA -0.340 3.830 4.170 -0.000 0.000 0.256 117 I C 2.113 178.309 176.117 0.132 0.000 1.132 117 I CA 1.389 62.823 61.300 0.224 0.000 1.397 117 I CB 0.206 38.304 38.000 0.164 0.000 1.074 117 I HN 0.355 nan 8.210 nan 0.000 0.435 118 K N 0.155 120.619 120.400 0.106 0.000 2.097 118 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 118 K C 1.902 178.541 176.600 0.064 0.000 1.049 118 K CA 1.425 57.753 56.287 0.069 0.000 0.933 118 K CB -0.468 32.066 32.500 0.056 0.000 0.717 118 K HN 0.547 nan 8.250 nan 0.000 0.442 119 G N 0.591 109.444 108.800 0.088 0.000 2.679 119 G HA2 0.151 4.111 3.960 -0.000 0.000 0.212 119 G HA3 0.151 4.111 3.960 -0.000 0.000 0.212 119 G C 0.555 175.488 174.900 0.056 0.000 1.137 119 G CA 0.593 45.736 45.100 0.071 0.000 0.787 119 G HN 0.541 nan 8.290 nan 0.000 0.534 120 G N -1.682 107.152 108.800 0.057 0.000 2.610 120 G HA2 0.155 4.115 3.960 -0.000 0.000 0.304 120 G HA3 0.155 4.115 3.960 -0.000 0.000 0.304 120 G C -0.344 174.516 174.900 -0.067 0.000 1.309 120 G CA -0.321 44.777 45.100 -0.003 0.000 0.906 120 G HN 1.496 nan 8.290 nan 0.000 0.521 121 C N -1.059 118.093 119.300 -0.247 0.000 2.620 121 C HA 0.724 5.184 4.460 -0.000 0.000 0.356 121 C C -0.190 174.573 174.990 -0.378 0.000 1.082 121 C CA -1.925 56.651 59.018 -0.737 0.000 1.293 121 C CB 0.528 27.602 27.740 -1.111 0.000 1.836 121 C HN 0.820 nan 8.230 nan 0.000 0.453 122 N N 1.201 119.798 118.700 -0.171 0.000 2.518 122 N HA 0.401 5.141 4.740 -0.000 0.000 0.266 122 N C -0.305 175.171 175.510 -0.056 0.000 1.196 122 N CA -0.030 52.981 53.050 -0.066 0.000 0.947 122 N CB 1.530 40.001 38.487 -0.028 0.000 1.098 122 N HN 0.701 nan 8.380 nan 0.000 0.450 123 V N 1.349 121.236 119.914 -0.046 0.000 2.320 123 V HA 0.269 4.389 4.120 -0.000 0.000 0.257 123 V C 1.110 177.188 176.094 -0.027 0.000 0.996 123 V CA -0.268 62.008 62.300 -0.040 0.000 0.928 123 V CB 0.382 32.178 31.823 -0.044 0.000 1.169 123 V HN 0.822 nan 8.190 nan 0.000 0.475 124 E N 2.052 122.244 120.200 -0.014 0.000 2.389 124 E HA 0.294 4.644 4.350 -0.000 0.000 0.199 124 E C 0.696 177.292 176.600 -0.008 0.000 0.978 124 E CA 1.045 57.439 56.400 -0.010 0.000 0.912 124 E CB 0.860 30.554 29.700 -0.009 0.000 0.907 124 E HN 0.758 nan 8.360 nan 0.000 0.494 125 E N -2.653 117.543 120.200 -0.007 0.000 2.395 125 E HA 0.379 4.729 4.350 -0.000 0.000 0.273 125 E C 0.654 177.257 176.600 0.005 0.000 1.206 125 E CA 0.076 56.474 56.400 -0.003 0.000 0.899 125 E CB 0.098 29.798 29.700 -0.000 0.000 1.405 125 E HN 1.244 nan 8.360 nan 0.000 0.418 126 G N -0.037 108.770 108.800 0.012 0.000 2.575 126 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.267 126 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.267 126 G C -0.885 174.022 174.900 0.013 0.000 1.264 126 G CA 0.113 45.226 45.100 0.021 0.000 0.935 126 G HN 0.913 nan 8.290 nan 0.000 0.568 127 L N 0.750 121.980 121.223 0.013 0.000 2.282 127 L HA 0.723 5.063 4.340 -0.000 0.000 0.288 127 L C 0.537 177.393 176.870 -0.023 0.000 1.033 127 L CA -0.035 54.807 54.840 0.003 0.000 0.807 127 L CB 1.739 43.803 42.059 0.009 0.000 1.209 127 L HN 0.771 nan 8.230 nan 0.000 0.423 128 T N 6.177 120.698 114.554 -0.055 0.000 2.794 128 T HA 0.613 4.963 4.350 -0.000 0.000 0.280 128 T C -0.521 174.056 174.700 -0.204 0.000 0.987 128 T CA -0.293 61.718 62.100 -0.149 0.000 0.993 128 T CB 1.112 69.853 68.868 -0.211 0.000 0.939 128 T HN 0.269 nan 8.240 nan 0.000 0.449 129 I N 3.678 124.082 120.570 -0.278 0.000 2.468 129 I HA 0.359 4.529 4.170 -0.000 0.000 0.284 129 I C -0.750 175.204 176.117 -0.273 0.000 1.038 129 I CA -1.258 59.928 61.300 -0.190 0.000 1.083 129 I CB 0.917 38.847 38.000 -0.116 0.000 1.223 129 I HN 0.622 nan 8.210 nan 0.000 0.443 130 F N 5.871 125.826 119.950 0.010 0.000 2.438 130 F HA 0.287 4.814 4.527 -0.000 0.000 0.356 130 F C 0.783 176.560 175.800 -0.039 0.000 1.099 130 F CA -0.281 57.706 58.000 -0.023 0.000 1.185 130 F CB 0.783 39.771 39.000 -0.021 0.000 1.115 130 F HN 0.186 nan 8.300 nan 0.000 0.526 131 L N 5.865 127.092 121.223 0.006 0.000 2.328 131 L HA 0.311 4.651 4.340 -0.000 0.000 0.280 131 L C -0.508 176.354 176.870 -0.012 0.000 1.111 131 L CA -0.752 54.023 54.840 -0.109 0.000 0.909 131 L CB 0.041 41.807 42.059 -0.488 0.000 1.277 131 L HN 0.402 nan 8.230 nan 0.000 0.433 132 V N 0.492 120.438 119.914 0.053 0.000 2.435 132 V HA 0.584 4.704 4.120 -0.000 0.000 0.290 132 V C -0.127 175.971 176.094 0.007 0.000 1.030 132 V CA -0.734 61.568 62.300 0.003 0.000 0.881 132 V CB 1.470 33.243 31.823 -0.084 0.000 0.983 132 V HN 0.701 nan 8.190 nan 0.000 0.445 133 N N 3.110 121.810 118.700 -0.000 0.000 2.776 133 N HA 0.467 5.207 4.740 -0.000 0.000 0.319 133 N C -0.794 174.710 175.510 -0.010 0.000 1.316 133 N CA -0.781 52.275 53.050 0.009 0.000 0.890 133 N CB 1.169 39.671 38.487 0.025 0.000 1.165 133 N HN 0.743 nan 8.380 nan 0.000 0.596 134 N N -0.460 118.241 118.700 0.001 0.000 2.701 134 N HA 0.310 5.050 4.740 -0.000 0.000 0.258 134 N C -3.114 172.400 175.510 0.008 0.000 1.262 134 N CA -0.944 52.103 53.050 -0.005 0.000 0.780 134 N CB 1.106 39.586 38.487 -0.012 0.000 1.380 134 N HN 0.296 nan 8.380 nan 0.000 0.548 135 P HA 0.134 nan 4.420 nan 0.000 0.262 135 P C 0.813 178.123 177.300 0.016 0.000 1.182 135 P CA 0.777 63.888 63.100 0.018 0.000 0.761 135 P CB 0.347 32.058 31.700 0.019 0.000 0.795 136 G N 1.531 110.343 108.800 0.020 0.000 2.233 136 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.270 136 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.270 136 G C 0.651 175.560 174.900 0.015 0.000 1.011 136 G CA 0.732 45.844 45.100 0.019 0.000 0.762 136 G HN 0.862 nan 8.290 nan 0.000 0.511 137 K N -1.604 118.805 120.400 0.015 0.000 2.726 137 K HA 0.836 5.156 4.320 -0.000 0.000 0.209 137 K C 1.299 177.909 176.600 0.017 0.000 1.082 137 K CA 1.582 57.876 56.287 0.012 0.000 1.081 137 K CB -1.011 31.493 32.500 0.006 0.000 0.830 137 K HN 2.228 nan 8.250 nan 0.000 0.470 138 E N 1.326 121.538 120.200 0.021 0.000 3.444 138 E HA -0.323 4.027 4.350 -0.000 0.000 0.457 138 E C 0.645 177.265 176.600 0.033 0.000 1.618 138 E CA 2.151 58.567 56.400 0.027 0.000 1.237 138 E CB -1.662 28.053 29.700 0.024 0.000 1.327 138 E HN 0.658 nan 8.360 nan 0.000 0.428 139 N N 2.050 120.770 118.700 0.034 0.000 2.451 139 N HA 0.469 5.209 4.740 -0.000 0.000 0.264 139 N C 0.511 176.044 175.510 0.037 0.000 1.167 139 N CA 0.764 53.841 53.050 0.045 0.000 0.898 139 N CB 0.169 38.687 38.487 0.051 0.000 1.176 139 N HN 0.898 nan 8.380 nan 0.000 0.507 140 G N 1.693 110.507 108.800 0.023 0.000 2.794 140 G HA2 0.056 4.016 3.960 -0.000 0.000 0.249 140 G HA3 0.056 4.016 3.960 -0.000 0.000 0.249 140 G C -2.142 172.761 174.900 0.005 0.000 1.236 140 G CA -0.485 44.621 45.100 0.010 0.000 0.880 140 G HN 0.093 nan 8.290 nan 0.000 0.586 141 P HA 0.149 nan 4.420 nan 0.000 0.273 141 P C 0.140 177.406 177.300 -0.057 0.000 1.250 141 P CA -0.112 62.978 63.100 -0.017 0.000 0.793 141 P CB 0.973 32.659 31.700 -0.024 0.000 1.011 142 V N -3.328 116.535 119.914 -0.085 0.000 2.304 142 V HA 0.559 4.679 4.120 -0.000 0.000 0.262 142 V C 0.360 176.344 176.094 -0.184 0.000 1.061 142 V CA -0.949 61.228 62.300 -0.205 0.000 0.872 142 V CB -0.728 30.809 31.823 -0.476 0.000 1.077 142 V HN 0.567 nan 8.190 nan 0.000 0.480 143 K N 6.138 126.447 120.400 -0.153 0.000 2.338 143 K HA 0.514 4.834 4.320 -0.000 0.000 0.290 143 K C -0.132 176.343 176.600 -0.207 0.000 1.069 143 K CA -0.442 55.755 56.287 -0.150 0.000 0.941 143 K CB 0.375 32.814 32.500 -0.101 0.000 1.023 143 K HN 0.751 nan 8.250 nan 0.000 0.477 144 I N 4.423 124.825 120.570 -0.279 0.000 2.293 144 I HA -0.020 4.150 4.170 -0.000 0.000 0.299 144 I C 1.659 177.612 176.117 -0.274 0.000 1.153 144 I CA 0.153 61.210 61.300 -0.405 0.000 1.302 144 I CB -0.454 37.174 38.000 -0.620 0.000 1.460 144 I HN 0.812 nan 8.210 nan 0.000 0.552 145 S N 3.469 119.058 115.700 -0.186 0.000 2.383 145 S HA -0.041 4.429 4.470 -0.000 0.000 0.227 145 S C 1.077 175.623 174.600 -0.090 0.000 1.026 145 S CA 0.134 58.269 58.200 -0.107 0.000 0.981 145 S CB -0.143 63.022 63.200 -0.058 0.000 0.818 145 S HN 0.543 nan 8.310 nan 0.000 0.472 146 S N 2.180 117.827 115.700 -0.089 0.000 2.580 146 S HA 0.551 5.021 4.470 -0.000 0.000 0.274 146 S C 0.224 174.791 174.600 -0.056 0.000 1.329 146 S CA -0.397 57.782 58.200 -0.035 0.000 1.036 146 S CB 0.778 64.002 63.200 0.040 0.000 0.919 146 S HN 0.773 nan 8.310 nan 0.000 0.515 147 K N 1.491 121.871 120.400 -0.032 0.000 2.412 147 K HA 0.388 4.708 4.320 -0.000 0.000 0.284 147 K C -0.397 176.177 176.600 -0.044 0.000 1.046 147 K CA -0.420 55.845 56.287 -0.037 0.000 0.999 147 K CB -0.476 32.011 32.500 -0.021 0.000 0.941 147 K HN 0.543 nan 8.250 nan 0.000 0.474 148 V N 2.971 122.859 119.914 -0.045 0.000 2.304 148 V HA 0.124 4.244 4.120 -0.000 0.000 0.269 148 V C 0.110 176.181 176.094 -0.038 0.000 1.036 148 V CA -1.197 61.082 62.300 -0.035 0.000 0.840 148 V CB 0.619 32.433 31.823 -0.016 0.000 1.036 148 V HN 0.827 nan 8.190 nan 0.000 0.466 149 N N 3.686 122.353 118.700 -0.054 0.000 2.818 149 N HA -0.020 4.720 4.740 -0.000 0.000 0.248 149 N C -0.078 175.415 175.510 -0.028 0.000 1.481 149 N CA 0.655 53.681 53.050 -0.041 0.000 0.973 149 N CB -0.388 38.070 38.487 -0.047 0.000 1.334 149 N HN 0.789 nan 8.380 nan 0.000 0.535 150 D N -1.614 118.774 120.400 -0.021 0.000 2.937 150 D HA 0.171 4.811 4.640 -0.000 0.000 0.215 150 D C 0.596 176.895 176.300 -0.002 0.000 1.274 150 D CA -0.248 53.747 54.000 -0.010 0.000 0.869 150 D CB 1.141 41.936 40.800 -0.009 0.000 1.675 150 D HN 0.085 nan 8.370 nan 0.000 0.538 151 K N 2.362 122.764 120.400 0.004 0.000 2.001 151 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 151 K C 1.758 178.372 176.600 0.022 0.000 1.048 151 K CA 1.274 57.566 56.287 0.008 0.000 0.932 151 K CB -0.668 31.836 32.500 0.007 0.000 0.715 151 K HN 0.474 nan 8.250 nan 0.000 0.437 152 Q N 0.319 120.139 119.800 0.033 0.000 2.077 152 Q HA -0.136 4.204 4.340 -0.000 0.000 0.206 152 Q C 2.317 178.362 176.000 0.075 0.000 0.989 152 Q CA 1.932 57.770 55.803 0.059 0.000 0.853 152 Q CB -0.708 28.070 28.738 0.067 0.000 0.907 152 Q HN 0.442 nan 8.270 nan 0.000 0.418 153 V N 0.316 120.254 119.914 0.040 0.000 2.358 153 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 153 V C 2.382 178.505 176.094 0.049 0.000 1.047 153 V CA 1.826 64.143 62.300 0.028 0.000 1.035 153 V CB -0.634 31.182 31.823 -0.011 0.000 0.658 153 V HN 0.242 nan 8.190 nan 0.000 0.452 154 S N -0.401 115.311 115.700 0.019 0.000 2.402 154 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 154 S C 2.355 176.962 174.600 0.011 0.000 1.021 154 S CA 1.469 59.666 58.200 -0.005 0.000 0.974 154 S CB -0.377 62.809 63.200 -0.023 0.000 0.800 154 S HN 0.811 nan 8.310 nan 0.000 0.484 155 E N 0.858 121.078 120.200 0.033 0.000 2.085 155 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 155 E C 1.643 178.268 176.600 0.042 0.000 0.994 155 E CA 1.627 58.044 56.400 0.028 0.000 0.801 155 E CB -1.163 28.558 29.700 0.036 0.000 0.743 155 E HN 0.666 nan 8.360 nan 0.000 0.453 156 F N 0.135 120.055 119.950 -0.050 0.000 2.102 156 F HA 0.040 4.567 4.527 -0.000 0.000 0.298 156 F C 1.998 177.731 175.800 -0.112 0.000 1.105 156 F CA 1.380 59.345 58.000 -0.059 0.000 1.239 156 F CB 0.129 39.093 39.000 -0.060 0.000 0.991 156 F HN 0.122 nan 8.300 nan 0.000 0.474 157 L N 0.821 122.140 121.223 0.160 0.000 2.645 157 L HA 0.104 4.444 4.340 -0.000 0.000 0.234 157 L C 0.897 177.710 176.870 -0.095 0.000 1.165 157 L CA -0.265 54.562 54.840 -0.022 0.000 0.944 157 L CB -1.402 40.556 42.059 -0.168 0.000 1.149 157 L HN -0.013 nan 8.230 nan 0.000 0.446 158 K N 0.019 120.378 120.400 -0.068 0.000 2.489 158 K HA -0.042 4.278 4.320 -0.000 0.000 0.278 158 K C 0.731 177.282 176.600 -0.081 0.000 1.000 158 K CA 0.119 56.360 56.287 -0.076 0.000 1.012 158 K CB 0.080 32.541 32.500 -0.065 0.000 0.903 158 K HN 0.032 nan 8.250 nan 0.000 0.485 159 D N 1.982 122.334 120.400 -0.080 0.000 2.218 159 D HA -0.071 4.569 4.640 -0.000 0.000 0.204 159 D C 2.412 178.681 176.300 -0.052 0.000 0.976 159 D CA 1.670 55.627 54.000 -0.072 0.000 0.853 159 D CB -0.124 40.632 40.800 -0.075 0.000 0.939 159 D HN 0.877 nan 8.370 nan 0.000 0.481 160 E N 1.599 121.767 120.200 -0.054 0.000 2.065 160 E HA -0.274 4.076 4.350 -0.000 0.000 0.201 160 E C 1.814 178.383 176.600 -0.052 0.000 1.016 160 E CA 1.636 58.005 56.400 -0.051 0.000 0.818 160 E CB -0.948 28.719 29.700 -0.054 0.000 0.749 160 E HN 0.293 nan 8.360 nan 0.000 0.453 161 N N -0.447 118.216 118.700 -0.061 0.000 2.270 161 N HA -0.039 4.701 4.740 -0.000 0.000 0.181 161 N C 1.640 177.194 175.510 0.073 0.000 1.016 161 N CA 1.452 54.470 53.050 -0.053 0.000 0.870 161 N CB 0.031 38.427 38.487 -0.152 0.000 0.979 161 N HN 0.374 nan 8.380 nan 0.000 0.431 162 M N 0.645 120.288 119.600 0.071 0.000 2.495 162 M HA 0.079 4.559 4.480 -0.000 0.000 0.237 162 M C 2.041 178.431 176.300 0.149 0.000 1.131 162 M CA 0.249 55.676 55.300 0.212 0.000 1.032 162 M CB -0.840 31.765 32.600 0.009 0.000 1.513 162 M HN 0.185 nan 8.290 nan 0.000 0.488 163 E N 2.652 122.865 120.200 0.021 0.000 2.114 163 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 163 E C 1.796 178.360 176.600 -0.060 0.000 1.008 163 E CA 2.184 58.569 56.400 -0.025 0.000 0.810 163 E CB -1.056 28.616 29.700 -0.046 0.000 0.739 163 E HN 0.782 nan 8.360 nan 0.000 0.456 164 K N -1.078 119.215 120.400 -0.179 0.000 2.439 164 K HA 0.105 4.425 4.320 -0.000 0.000 0.197 164 K C -0.199 176.185 176.600 -0.361 0.000 1.041 164 K CA 0.316 56.407 56.287 -0.328 0.000 0.970 164 K CB -0.180 32.045 32.500 -0.459 0.000 0.773 164 K HN 0.365 nan 8.250 nan 0.000 0.479 165 F N 3.246 123.246 119.950 0.083 0.000 2.420 165 F HA 0.204 4.731 4.527 -0.000 0.000 0.342 165 F C 0.404 176.237 175.800 0.055 0.000 1.113 165 F CA -1.454 56.631 58.000 0.142 0.000 1.059 165 F CB 0.747 39.892 39.000 0.243 0.000 1.128 165 F HN 0.077 nan 8.300 nan 0.000 0.475 166 N N 1.018 119.885 118.700 0.278 0.000 2.458 166 N HA 0.292 5.032 4.740 -0.000 0.000 0.271 166 N C 0.258 175.878 175.510 0.182 0.000 1.210 166 N CA -0.803 52.344 53.050 0.163 0.000 0.978 166 N CB 1.067 39.627 38.487 0.122 0.000 1.206 166 N HN 0.399 nan 8.380 nan 0.000 0.536 167 V N -3.761 116.214 119.914 0.101 0.000 3.649 167 V HA 0.162 4.282 4.120 -0.000 0.000 0.275 167 V C 0.930 177.105 176.094 0.136 0.000 1.281 167 V CA -0.241 62.121 62.300 0.103 0.000 1.143 167 V CB -1.386 30.457 31.823 0.033 0.000 0.892 167 V HN 0.786 nan 8.190 nan 0.000 0.441 168 K N 1.808 122.285 120.400 0.129 0.000 2.464 168 K HA -0.162 4.158 4.320 -0.000 0.000 0.265 168 K C 0.052 176.714 176.600 0.104 0.000 1.055 168 K CA -0.004 56.346 56.287 0.104 0.000 1.161 168 K CB -0.014 32.545 32.500 0.099 0.000 0.804 168 K HN 0.546 nan 8.250 nan 0.000 0.486 169 L N 5.561 126.833 121.223 0.082 0.000 2.667 169 L HA -0.020 4.320 4.340 -0.000 0.000 0.278 169 L C 1.092 178.002 176.870 0.067 0.000 1.217 169 L CA 2.153 57.038 54.840 0.076 0.000 0.935 169 L CB 0.179 42.279 42.059 0.068 0.000 1.193 169 L HN 1.001 nan 8.230 nan 0.000 0.493 170 G N 2.102 110.939 108.800 0.061 0.000 2.850 170 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.207 170 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.207 170 G C 0.415 175.323 174.900 0.013 0.000 1.302 170 G CA 0.307 45.430 45.100 0.039 0.000 0.832 170 G HN 1.136 nan 8.290 nan 0.000 0.543 171 T N 0.412 114.984 114.554 0.029 0.000 2.788 171 T HA 0.511 4.861 4.350 -0.000 0.000 0.333 171 T C 0.436 175.052 174.700 -0.141 0.000 1.090 171 T CA 1.343 63.433 62.100 -0.016 0.000 1.094 171 T CB 1.353 70.253 68.868 0.054 0.000 0.999 171 T HN 2.211 nan 8.240 nan 0.000 0.549 172 S N -0.355 115.160 115.700 -0.309 0.000 2.615 172 S HA 0.781 5.251 4.470 -0.000 0.000 0.269 172 S C -1.708 172.462 174.600 -0.716 0.000 1.161 172 S CA -1.274 56.538 58.200 -0.646 0.000 0.817 172 S CB 1.873 64.794 63.200 -0.464 0.000 1.131 172 S HN 0.851 nan 8.310 nan 0.000 0.467 173 K N 0.059 119.865 120.400 -0.991 0.000 2.527 173 K HA 0.592 4.912 4.320 -0.000 0.000 0.260 173 K C -2.014 173.976 176.600 -1.016 0.000 0.937 173 K CA -0.440 55.344 56.287 -0.840 0.000 0.826 173 K CB 1.510 33.547 32.500 -0.772 0.000 1.359 173 K HN 0.797 nan 8.250 nan 0.000 0.434 174 H N 0.906 119.536 119.070 -0.734 0.000 2.463 174 H HA 0.560 5.116 4.556 -0.000 0.000 0.332 174 H C -0.966 173.858 175.328 -0.839 0.000 1.127 174 H CA -0.310 55.383 56.048 -0.592 0.000 1.238 174 H CB 0.701 30.288 29.762 -0.291 0.000 1.478 174 H HN 0.244 nan 8.280 nan 0.000 0.499 175 F N 1.879 121.846 119.950 0.029 0.000 2.529 175 F HA 0.269 4.796 4.527 -0.000 0.000 0.320 175 F C -0.685 175.051 175.800 -0.105 0.000 1.118 175 F CA -1.006 56.951 58.000 -0.071 0.000 0.915 175 F CB 1.140 39.965 39.000 -0.291 0.000 1.161 175 F HN 0.459 nan 8.300 nan 0.000 0.445 176 Y N 5.595 125.870 120.300 -0.042 0.000 2.468 176 Y HA 0.838 5.388 4.550 -0.000 0.000 0.342 176 Y C -0.555 175.238 175.900 -0.178 0.000 1.021 176 Y CA -1.325 56.699 58.100 -0.127 0.000 1.079 176 Y CB 1.516 39.928 38.460 -0.080 0.000 1.226 176 Y HN 0.709 nan 8.280 nan 0.000 0.460 177 M N 2.789 121.761 119.600 -1.047 0.000 3.490 177 M HA 0.446 4.925 4.480 -0.000 0.000 0.306 177 M C -2.360 173.354 176.300 -0.978 0.000 1.248 177 M CA -0.758 54.079 55.300 -0.771 0.000 0.875 177 M CB 1.806 34.192 32.600 -0.357 0.000 1.761 177 M HN 0.470 nan 8.290 nan 0.000 0.529 178 F N 2.726 122.529 119.950 -0.244 0.000 2.467 178 F HA 0.476 5.003 4.527 -0.000 0.000 0.336 178 F C 0.471 176.218 175.800 -0.089 0.000 1.123 178 F CA -0.362 57.542 58.000 -0.160 0.000 0.964 178 F CB 1.363 40.304 39.000 -0.099 0.000 1.136 178 F HN 0.720 nan 8.300 nan 0.000 0.447 179 N N 1.327 120.077 118.700 0.082 0.000 2.328 179 N HA 0.020 4.760 4.740 -0.000 0.000 0.277 179 N C 0.445 176.001 175.510 0.077 0.000 1.286 179 N CA -0.142 52.940 53.050 0.053 0.000 0.949 179 N CB 0.364 38.858 38.487 0.011 0.000 1.136 179 N HN 0.464 nan 8.380 nan 0.000 0.550 180 D N -0.962 119.464 120.400 0.042 0.000 2.183 180 D HA -0.135 4.505 4.640 -0.000 0.000 0.203 180 D C 1.155 177.472 176.300 0.029 0.000 0.969 180 D CA 0.648 54.667 54.000 0.032 0.000 0.842 180 D CB -0.407 40.403 40.800 0.017 0.000 0.957 180 D HN 0.565 nan 8.370 nan 0.000 0.484 181 N N 1.117 119.837 118.700 0.033 0.000 2.417 181 N HA -0.257 4.483 4.740 -0.000 0.000 0.187 181 N C 1.109 176.645 175.510 0.044 0.000 1.027 181 N CA 2.083 55.154 53.050 0.034 0.000 0.891 181 N CB 0.087 38.597 38.487 0.037 0.000 0.956 181 N HN 0.264 nan 8.380 nan 0.000 0.442 182 K N -3.722 116.717 120.400 0.065 0.000 3.472 182 K HA -0.272 4.048 4.320 -0.000 0.000 0.315 182 K C 0.286 177.017 176.600 0.218 0.000 1.320 182 K CA 1.820 58.148 56.287 0.068 0.000 0.962 182 K CB -3.050 29.424 32.500 -0.043 0.000 1.251 182 K HN 0.970 nan 8.250 nan 0.000 0.443 183 N N 0.446 119.267 118.700 0.201 0.000 2.399 183 N HA 0.597 5.337 4.740 -0.000 0.000 0.250 183 N C 0.490 176.146 175.510 0.243 0.000 1.272 183 N CA 0.316 53.498 53.050 0.221 0.000 0.928 183 N CB 0.658 39.205 38.487 0.100 0.000 1.158 183 N HN 1.515 nan 8.380 nan 0.000 0.463 184 S N -0.730 115.022 115.700 0.087 0.000 2.438 184 S HA 0.576 5.046 4.470 -0.000 0.000 0.293 184 S C -0.000 174.501 174.600 -0.165 0.000 1.141 184 S CA -0.438 57.575 58.200 -0.313 0.000 1.080 184 S CB -0.015 63.024 63.200 -0.269 0.000 0.978 184 S HN 1.452 nan 8.310 nan 0.000 0.479 185 V N -0.106 119.663 119.914 -0.242 0.000 2.604 185 V HA 0.951 5.071 4.120 -0.000 0.000 0.305 185 V C 0.049 176.082 176.094 -0.103 0.000 1.043 185 V CA -1.295 60.935 62.300 -0.117 0.000 0.888 185 V CB 0.972 32.741 31.823 -0.090 0.000 0.995 185 V HN 1.122 nan 8.190 nan 0.000 0.429 186 A N 4.068 126.877 122.820 -0.018 0.000 2.320 186 A HA 0.806 5.126 4.320 -0.000 0.000 0.287 186 A C -0.236 177.352 177.584 0.007 0.000 1.181 186 A CA -0.362 51.687 52.037 0.021 0.000 0.831 186 A CB 0.647 19.675 19.000 0.047 0.000 1.102 186 A HN 1.290 nan 8.150 nan 0.000 0.513 187 V N 1.387 121.324 119.914 0.039 0.000 3.102 187 V HA 0.949 5.069 4.120 -0.000 0.000 0.312 187 V C 0.637 176.897 176.094 0.277 0.000 1.135 187 V CA 0.260 62.612 62.300 0.088 0.000 1.022 187 V CB 2.187 34.029 31.823 0.033 0.000 1.056 187 V HN 1.539 nan 8.190 nan 0.000 0.436 188 G N 0.668 109.673 108.800 0.341 0.000 2.428 188 G HA2 0.624 4.584 3.960 -0.000 0.000 0.304 188 G HA3 0.624 4.584 3.960 -0.000 0.000 0.304 188 G C -2.004 173.145 174.900 0.416 0.000 1.303 188 G CA -0.072 45.288 45.100 0.434 0.000 0.825 188 G HN 1.342 nan 8.290 nan 0.000 0.484 189 Y N -1.810 118.586 120.300 0.160 0.000 2.625 189 Y HA 0.810 5.360 4.550 -0.000 0.000 0.338 189 Y C -1.233 174.656 175.900 -0.019 0.000 1.123 189 Y CA -1.449 56.714 58.100 0.105 0.000 1.046 189 Y CB 1.556 40.108 38.460 0.153 0.000 1.299 189 Y HN 0.564 nan 8.280 nan 0.000 0.464 190 V N 1.834 121.832 119.914 0.140 0.000 2.715 190 V HA 0.776 4.896 4.120 -0.000 0.000 0.310 190 V C 0.328 176.606 176.094 0.307 0.000 1.054 190 V CA -0.434 61.891 62.300 0.042 0.000 0.928 190 V CB 1.757 33.570 31.823 -0.018 0.000 1.007 190 V HN 1.113 nan 8.190 nan 0.000 0.437 191 G N 0.846 109.796 108.800 0.251 0.000 2.338 191 G HA2 0.408 4.368 3.960 -0.000 0.000 0.298 191 G HA3 0.408 4.368 3.960 -0.000 0.000 0.298 191 G C 0.127 175.100 174.900 0.122 0.000 1.140 191 G CA -0.241 45.007 45.100 0.247 0.000 0.860 191 G HN 0.904 nan 8.290 nan 0.000 0.470 192 C N 2.578 121.933 119.300 0.092 0.000 2.863 192 C HA 0.620 5.080 4.460 -0.000 0.000 0.284 192 C C 1.820 176.849 174.990 0.064 0.000 1.426 192 C CA -0.266 58.792 59.018 0.067 0.000 1.782 192 C CB -1.243 26.523 27.740 0.044 0.000 2.554 192 C HN 1.323 nan 8.230 nan 0.000 0.566 193 G N 2.338 111.180 108.800 0.070 0.000 2.622 193 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.307 193 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.307 193 G C 0.977 175.905 174.900 0.046 0.000 1.226 193 G CA 0.907 46.042 45.100 0.059 0.000 0.997 193 G HN 0.432 nan 8.290 nan 0.000 0.551 194 S N -1.263 114.464 115.700 0.044 0.000 3.142 194 S HA 0.342 4.812 4.470 -0.000 0.000 0.223 194 S C 0.906 175.528 174.600 0.037 0.000 0.939 194 S CA 0.444 58.665 58.200 0.036 0.000 0.826 194 S CB -0.006 63.214 63.200 0.033 0.000 0.823 194 S HN 1.121 nan 8.310 nan 0.000 0.612 195 V N 3.795 123.734 119.914 0.040 0.000 2.539 195 V HA -0.024 4.096 4.120 -0.000 0.000 0.294 195 V C 1.551 177.672 176.094 0.045 0.000 0.994 195 V CA 0.464 62.789 62.300 0.041 0.000 1.169 195 V CB -0.511 31.338 31.823 0.044 0.000 0.898 195 V HN 0.579 nan 8.190 nan 0.000 0.471 196 A N 3.798 126.643 122.820 0.042 0.000 1.940 196 A HA -0.048 4.271 4.320 -0.000 0.000 0.219 196 A C 1.396 179.013 177.584 0.056 0.000 1.176 196 A CA 1.515 53.580 52.037 0.045 0.000 0.631 196 A CB -0.711 18.313 19.000 0.040 0.000 0.814 196 A HN 0.982 nan 8.150 nan 0.000 0.446 197 D N -0.679 119.754 120.400 0.055 0.000 2.380 197 D HA 0.576 5.216 4.640 -0.000 0.000 0.230 197 D C -0.243 176.096 176.300 0.065 0.000 1.154 197 D CA 0.243 54.281 54.000 0.063 0.000 0.859 197 D CB -0.048 40.785 40.800 0.056 0.000 1.045 197 D HN 0.988 nan 8.370 nan 0.000 0.495 198 L N 1.511 122.780 121.223 0.078 0.000 2.436 198 L HA 0.813 5.153 4.340 -0.000 0.000 0.265 198 L C 1.188 178.102 176.870 0.072 0.000 1.168 198 L CA -0.294 54.596 54.840 0.083 0.000 0.815 198 L CB 0.809 42.929 42.059 0.103 0.000 1.109 198 L HN 0.905 nan 8.230 nan 0.000 0.462 199 S N -0.009 115.730 115.700 0.064 0.000 2.651 199 S HA 0.335 4.805 4.470 -0.000 0.000 0.291 199 S C 0.987 175.583 174.600 -0.006 0.000 1.141 199 S CA 0.415 58.632 58.200 0.028 0.000 1.027 199 S CB 1.309 64.538 63.200 0.047 0.000 1.043 199 S HN 1.071 nan 8.310 nan 0.000 0.530 200 E N 1.665 121.777 120.200 -0.146 0.000 2.169 200 E HA -0.277 4.073 4.350 -0.000 0.000 0.202 200 E C 1.633 178.237 176.600 0.007 0.000 1.016 200 E CA 2.096 58.269 56.400 -0.379 0.000 0.817 200 E CB -0.690 28.699 29.700 -0.517 0.000 0.736 200 E HN 0.818 nan 8.360 nan 0.000 0.462 201 A N 0.636 123.504 122.820 0.080 0.000 2.030 201 A HA -0.049 4.271 4.320 -0.000 0.000 0.215 201 A C 1.807 179.483 177.584 0.154 0.000 1.164 201 A CA 0.976 53.104 52.037 0.152 0.000 0.697 201 A CB -0.016 19.067 19.000 0.139 0.000 0.827 201 A HN 0.209 nan 8.150 nan 0.000 0.457 202 D N -0.623 119.855 120.400 0.131 0.000 2.149 202 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 202 D C 1.739 178.141 176.300 0.169 0.000 0.972 202 D CA 1.244 55.321 54.000 0.128 0.000 0.835 202 D CB -0.200 40.662 40.800 0.103 0.000 0.966 202 D HN 0.352 nan 8.370 nan 0.000 0.476 203 M N 1.199 120.940 119.600 0.234 0.000 2.229 203 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 203 M C 1.870 178.368 176.300 0.330 0.000 1.063 203 M CA 1.334 56.836 55.300 0.336 0.000 1.114 203 M CB -0.230 32.664 32.600 0.492 0.000 1.387 203 M HN -0.240 nan 8.290 nan 0.000 0.420 204 K N -0.305 120.300 120.400 0.341 0.000 2.026 204 K HA -0.101 4.218 4.320 -0.000 0.000 0.208 204 K C 2.050 178.727 176.600 0.130 0.000 1.048 204 K CA 1.571 57.985 56.287 0.213 0.000 0.929 204 K CB -0.150 32.497 32.500 0.245 0.000 0.713 204 K HN 0.312 nan 8.250 nan 0.000 0.439 205 R N 0.001 120.581 120.500 0.133 0.000 2.096 205 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 205 R C 2.244 178.589 176.300 0.074 0.000 1.139 205 R CA 1.817 57.973 56.100 0.093 0.000 0.952 205 R CB -0.776 29.578 30.300 0.090 0.000 0.854 205 R HN 0.087 nan 8.270 nan 0.000 0.436 206 V N 0.703 120.675 119.914 0.097 0.000 2.255 206 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 206 V C 2.495 178.631 176.094 0.070 0.000 1.051 206 V CA 1.870 64.222 62.300 0.088 0.000 1.018 206 V CB -0.559 31.340 31.823 0.127 0.000 0.641 206 V HN 0.129 nan 8.190 nan 0.000 0.445 207 V N -0.372 119.587 119.914 0.075 0.000 2.282 207 V HA -0.267 3.853 4.120 -0.000 0.000 0.249 207 V C 2.449 178.500 176.094 -0.072 0.000 1.057 207 V CA 1.814 64.084 62.300 -0.050 0.000 1.032 207 V CB -0.613 31.100 31.823 -0.183 0.000 0.645 207 V HN 0.382 nan 8.190 nan 0.000 0.447 208 L N -0.250 120.957 121.223 -0.027 0.000 2.043 208 L HA -0.175 4.164 4.340 -0.000 0.000 0.212 208 L C 2.633 179.478 176.870 -0.042 0.000 1.075 208 L CA 2.123 56.948 54.840 -0.025 0.000 0.752 208 L CB -1.663 40.407 42.059 0.019 0.000 0.891 208 L HN 0.363 nan 8.230 nan 0.000 0.432 209 S N -0.288 115.394 115.700 -0.030 0.000 2.359 209 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 209 S C 2.037 176.580 174.600 -0.096 0.000 1.035 209 S CA 1.120 59.288 58.200 -0.054 0.000 1.018 209 S CB -0.252 62.916 63.200 -0.053 0.000 0.876 209 S HN 0.343 nan 8.310 nan 0.000 0.448 210 L N 1.265 122.428 121.223 -0.100 0.000 2.042 210 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 210 L C 2.090 178.833 176.870 -0.212 0.000 1.076 210 L CA 1.205 55.962 54.840 -0.139 0.000 0.749 210 L CB -0.326 41.669 42.059 -0.108 0.000 0.893 210 L HN 0.220 nan 8.230 nan 0.000 0.432 211 V N -1.198 118.571 119.914 -0.242 0.000 2.626 211 V HA -0.256 3.864 4.120 -0.000 0.000 0.252 211 V C 2.451 178.289 176.094 -0.427 0.000 1.067 211 V CA 2.023 64.092 62.300 -0.384 0.000 1.081 211 V CB -0.711 30.915 31.823 -0.329 0.000 0.686 211 V HN 0.465 nan 8.190 nan 0.000 0.468 212 T N 0.660 115.099 114.554 -0.192 0.000 2.788 212 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 212 T C 1.774 176.466 174.700 -0.014 0.000 1.044 212 T CA 1.852 63.924 62.100 -0.047 0.000 1.139 212 T CB -0.279 68.586 68.868 -0.004 0.000 0.867 212 T HN 0.462 nan 8.240 nan 0.000 0.454 213 M N 0.324 119.896 119.600 -0.047 0.000 2.419 213 M HA 0.159 4.639 4.480 -0.000 0.000 0.264 213 M C 1.918 178.205 176.300 -0.023 0.000 1.082 213 M CA 1.052 56.379 55.300 0.045 0.000 1.119 213 M CB -0.508 32.098 32.600 0.010 0.000 1.398 213 M HN 0.167 nan 8.290 nan 0.000 0.453 214 L N -0.913 120.220 121.223 -0.150 0.000 2.109 214 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 214 L C 0.853 177.738 176.870 0.025 0.000 1.086 214 L CA 0.400 55.147 54.840 -0.156 0.000 0.760 214 L CB -0.822 40.947 42.059 -0.482 0.000 0.910 214 L HN 0.258 nan 8.230 nan 0.000 0.437 215 H N 1.361 120.448 119.070 0.029 0.000 2.764 215 H HA 0.038 4.594 4.556 -0.000 0.000 0.341 215 H C 0.146 175.463 175.328 -0.018 0.000 1.072 215 H CA -0.131 55.924 56.048 0.012 0.000 1.444 215 H CB 0.681 30.447 29.762 0.007 0.000 1.458 215 H HN 0.104 nan 8.280 nan 0.000 0.572 216 D N 0.993 121.450 120.400 0.094 0.000 3.068 216 D HA -0.210 4.430 4.640 -0.000 0.000 0.218 216 D C -0.406 175.885 176.300 -0.015 0.000 1.145 216 D CA 0.696 54.705 54.000 0.015 0.000 0.896 216 D CB -0.894 39.912 40.800 0.010 0.000 1.105 216 D HN 0.538 nan 8.370 nan 0.000 0.423 217 N N 0.732 119.428 118.700 -0.006 0.000 2.500 217 N HA 0.179 4.919 4.740 -0.000 0.000 0.291 217 N C -0.994 174.509 175.510 -0.011 0.000 1.092 217 N CA -0.375 52.658 53.050 -0.028 0.000 0.890 217 N CB 1.094 39.559 38.487 -0.036 0.000 1.466 217 N HN -0.096 nan 8.380 nan 0.000 0.507 218 K N 3.257 123.646 120.400 -0.018 0.000 2.228 218 K HA 0.325 4.645 4.320 -0.000 0.000 0.284 218 K C -0.566 176.040 176.600 0.010 0.000 1.088 218 K CA 0.088 56.371 56.287 -0.006 0.000 0.941 218 K CB 0.346 32.838 32.500 -0.013 0.000 1.158 218 K HN 0.418 nan 8.250 nan 0.000 0.438 219 L N 2.088 123.329 121.223 0.030 0.000 2.362 219 L HA 0.207 4.547 4.340 -0.000 0.000 0.275 219 L C 1.261 178.174 176.870 0.071 0.000 0.998 219 L CA -0.346 54.519 54.840 0.042 0.000 0.820 219 L CB 2.039 44.120 42.059 0.037 0.000 1.270 219 L HN 0.593 nan 8.230 nan 0.000 0.415 220 S N 1.524 117.268 115.700 0.074 0.000 2.388 220 S HA -0.016 4.454 4.470 -0.000 0.000 0.223 220 S C 0.551 175.245 174.600 0.156 0.000 1.034 220 S CA 0.352 58.620 58.200 0.112 0.000 0.963 220 S CB 0.077 63.334 63.200 0.095 0.000 0.827 220 S HN 0.605 nan 8.310 nan 0.000 0.481 221 K N 0.212 120.681 120.400 0.116 0.000 2.471 221 K HA 0.573 4.893 4.320 -0.000 0.000 0.252 221 K C -1.769 174.881 176.600 0.085 0.000 0.938 221 K CA -1.010 55.357 56.287 0.134 0.000 0.796 221 K CB 1.692 34.247 32.500 0.091 0.000 1.161 221 K HN 0.231 nan 8.250 nan 0.000 0.425 222 L N 2.824 124.098 121.223 0.084 0.000 2.317 222 L HA 0.573 4.913 4.340 -0.000 0.000 0.281 222 L C -1.314 175.598 176.870 0.070 0.000 1.024 222 L CA 0.304 55.167 54.840 0.038 0.000 0.810 222 L CB 2.187 44.233 42.059 -0.021 0.000 1.240 222 L HN 0.710 nan 8.230 nan 0.000 0.427 223 T N 4.370 118.953 114.554 0.048 0.000 2.890 223 T HA 0.505 4.855 4.350 -0.000 0.000 0.295 223 T C -0.929 173.793 174.700 0.037 0.000 0.993 223 T CA -0.376 61.780 62.100 0.092 0.000 0.979 223 T CB 1.318 70.255 68.868 0.115 0.000 0.967 223 T HN 0.332 nan 8.240 nan 0.000 0.441 224 V N 4.290 124.273 119.914 0.115 0.000 2.347 224 V HA 0.405 4.525 4.120 -0.000 0.000 0.280 224 V C 0.034 176.210 176.094 0.137 0.000 1.021 224 V CA -0.726 61.607 62.300 0.055 0.000 0.847 224 V CB 1.554 33.440 31.823 0.106 0.000 0.990 224 V HN 0.714 nan 8.190 nan 0.000 0.444 225 V N 5.618 125.499 119.914 -0.056 0.000 2.407 225 V HA 0.398 4.518 4.120 -0.000 0.000 0.278 225 V C -0.328 175.787 176.094 0.035 0.000 1.037 225 V CA -0.363 61.971 62.300 0.056 0.000 0.900 225 V CB 1.265 32.973 31.823 -0.191 0.000 0.983 225 V HN 0.685 nan 8.190 nan 0.000 0.459 226 F N 3.214 123.180 119.950 0.026 0.000 2.384 226 F HA 0.348 4.875 4.527 -0.000 0.000 0.359 226 F C 1.326 177.131 175.800 0.008 0.000 1.143 226 F CA -0.187 57.789 58.000 -0.039 0.000 1.216 226 F CB 0.560 39.481 39.000 -0.132 0.000 1.512 226 F HN 0.566 nan 8.300 nan 0.000 0.573 227 E N 3.937 124.203 120.200 0.110 0.000 2.368 227 E HA 0.137 4.486 4.350 -0.000 0.000 0.188 227 E C 0.006 176.642 176.600 0.059 0.000 1.061 227 E CA 0.044 56.498 56.400 0.090 0.000 0.933 227 E CB 0.184 29.925 29.700 0.069 0.000 1.091 227 E HN 0.556 nan 8.360 nan 0.000 0.458 228 I N -1.269 119.351 120.570 0.083 0.000 2.740 228 I HA 0.368 4.538 4.170 -0.000 0.000 0.303 228 I C -0.315 175.889 176.117 0.145 0.000 1.044 228 I CA -1.367 59.987 61.300 0.089 0.000 1.064 228 I CB 1.791 39.829 38.000 0.063 0.000 1.249 228 I HN -0.213 nan 8.210 nan 0.000 0.433 229 N N 4.367 123.133 118.700 0.111 0.000 2.508 229 N HA 0.608 5.348 4.740 -0.000 0.000 0.285 229 N C -0.739 174.845 175.510 0.125 0.000 1.144 229 N CA -0.460 52.654 53.050 0.107 0.000 0.978 229 N CB 2.491 41.031 38.487 0.089 0.000 1.180 229 N HN 0.729 nan 8.380 nan 0.000 0.484 230 V N -2.353 117.635 119.914 0.125 0.000 2.891 230 V HA 0.355 4.475 4.120 -0.000 0.000 0.304 230 V C -0.409 175.829 176.094 0.240 0.000 1.171 230 V CA -1.216 61.179 62.300 0.159 0.000 0.943 230 V CB 1.491 33.412 31.823 0.164 0.000 1.037 230 V HN 0.857 nan 8.190 nan 0.000 0.427 231 D N 2.967 123.490 120.400 0.206 0.000 2.346 231 D HA 0.148 4.788 4.640 -0.000 0.000 0.249 231 D C 0.877 177.360 176.300 0.306 0.000 1.308 231 D CA 0.055 54.172 54.000 0.195 0.000 0.987 231 D CB 0.892 41.751 40.800 0.098 0.000 1.114 231 D HN 0.631 nan 8.370 nan 0.000 0.529 232 K N -0.659 119.815 120.400 0.124 0.000 2.026 232 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 232 K C 1.868 178.619 176.600 0.252 0.000 1.048 232 K CA 1.176 57.531 56.287 0.114 0.000 0.929 232 K CB -0.151 32.296 32.500 -0.088 0.000 0.713 232 K HN 0.343 nan 8.250 nan 0.000 0.439 233 N N 1.178 119.979 118.700 0.168 0.000 2.043 233 N HA -0.174 4.566 4.740 -0.000 0.000 0.193 233 N C 1.774 177.427 175.510 0.238 0.000 1.037 233 N CA 0.986 54.137 53.050 0.169 0.000 0.851 233 N CB -0.367 38.184 38.487 0.105 0.000 1.027 233 N HN 0.034 nan 8.380 nan 0.000 0.422 234 L N 0.374 121.740 121.223 0.237 0.000 2.131 234 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 234 L C 2.050 179.145 176.870 0.376 0.000 1.092 234 L CA 1.130 56.146 54.840 0.293 0.000 0.759 234 L CB -0.713 41.479 42.059 0.222 0.000 0.903 234 L HN 0.053 nan 8.230 nan 0.000 0.435 235 F N 0.251 120.308 119.950 0.180 0.000 2.069 235 F HA -0.267 4.260 4.527 -0.000 0.000 0.298 235 F C 2.764 178.668 175.800 0.173 0.000 1.113 235 F CA 2.101 60.144 58.000 0.072 0.000 1.214 235 F CB -0.439 38.516 39.000 -0.076 0.000 0.978 235 F HN 0.028 nan 8.300 nan 0.000 0.474 236 R N -0.440 120.132 120.500 0.121 0.000 2.094 236 R HA -0.266 4.074 4.340 -0.000 0.000 0.239 236 R C 2.497 178.787 176.300 -0.016 0.000 1.137 236 R CA 2.239 58.332 56.100 -0.012 0.000 0.943 236 R CB -1.170 29.184 30.300 0.090 0.000 0.850 236 R HN 0.445 nan 8.270 nan 0.000 0.433 237 F N 0.760 120.713 119.950 0.006 0.000 2.120 237 F HA -0.282 4.245 4.527 -0.000 0.000 0.300 237 F C 2.014 177.793 175.800 -0.034 0.000 1.095 237 F CA 1.880 59.888 58.000 0.013 0.000 1.249 237 F CB -0.661 38.374 39.000 0.060 0.000 0.995 237 F HN 0.114 nan 8.300 nan 0.000 0.480 238 F N 0.690 120.591 119.950 -0.081 0.000 2.126 238 F HA -0.232 4.295 4.527 -0.000 0.000 0.299 238 F C 1.874 177.391 175.800 -0.472 0.000 1.096 238 F CA 1.945 59.813 58.000 -0.220 0.000 1.255 238 F CB -0.623 38.370 39.000 -0.012 0.000 0.997 238 F HN 0.016 nan 8.300 nan 0.000 0.479 239 L N 0.019 120.846 121.223 -0.660 0.000 2.056 239 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 239 L C 2.404 178.558 176.870 -1.194 0.000 1.078 239 L CA 1.729 55.900 54.840 -1.115 0.000 0.749 239 L CB -0.683 40.775 42.059 -1.001 0.000 0.901 239 L HN 0.174 nan 8.230 nan 0.000 0.433 240 E N -0.530 119.296 120.200 -0.623 0.000 2.051 240 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 240 E C 2.029 178.457 176.600 -0.286 0.000 0.991 240 E CA 1.858 58.099 56.400 -0.265 0.000 0.799 240 E CB -0.265 29.401 29.700 -0.056 0.000 0.748 240 E HN 0.403 nan 8.360 nan 0.000 0.449 241 T N 1.870 116.100 114.554 -0.540 0.000 2.699 241 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 241 T C 1.805 176.280 174.700 -0.375 0.000 1.036 241 T CA 1.146 62.965 62.100 -0.470 0.000 1.147 241 T CB -0.302 68.137 68.868 -0.715 0.000 0.862 241 T HN 0.022 nan 8.240 nan 0.000 0.446 242 L N 0.533 121.359 121.223 -0.663 0.000 2.017 242 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 242 L C 1.979 178.739 176.870 -0.182 0.000 1.073 242 L CA 1.741 56.233 54.840 -0.580 0.000 0.745 242 L CB -1.074 40.424 42.059 -0.935 0.000 0.894 242 L HN 0.119 nan 8.230 nan 0.000 0.432 243 F N -1.259 118.507 119.950 -0.307 0.000 2.102 243 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 243 F C 2.577 178.227 175.800 -0.250 0.000 1.105 243 F CA 1.297 59.038 58.000 -0.431 0.000 1.239 243 F CB -1.680 36.873 39.000 -0.745 0.000 0.991 243 F HN 0.175 nan 8.300 nan 0.000 0.474 244 Y N 1.265 121.645 120.300 0.133 0.000 2.181 244 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 244 Y C 2.202 178.184 175.900 0.137 0.000 1.146 244 Y CA 1.721 59.975 58.100 0.257 0.000 1.164 244 Y CB -0.268 38.315 38.460 0.205 0.000 0.982 244 Y HN -0.042 nan 8.280 nan 0.000 0.515 245 E N -1.298 118.943 120.200 0.069 0.000 2.427 245 E HA -0.152 4.198 4.350 -0.000 0.000 0.196 245 E C 1.517 178.163 176.600 0.076 0.000 1.028 245 E CA 0.499 56.900 56.400 0.002 0.000 0.864 245 E CB -0.377 29.341 29.700 0.030 0.000 0.813 245 E HN 0.588 nan 8.360 nan 0.000 0.514 246 Y N 0.651 120.905 120.300 -0.078 0.000 2.347 246 Y HA 0.133 4.683 4.550 -0.000 0.000 0.294 246 Y C 0.849 176.831 175.900 0.137 0.000 1.117 246 Y CA -0.009 58.084 58.100 -0.011 0.000 1.184 246 Y CB 0.063 38.500 38.460 -0.039 0.000 1.047 246 Y HN -0.072 nan 8.280 nan 0.000 0.546 247 M N 2.011 121.562 119.600 -0.081 0.000 2.268 247 M HA 0.156 4.636 4.480 -0.000 0.000 0.349 247 M C -0.530 175.740 176.300 -0.051 0.000 1.485 247 M CA 0.635 55.795 55.300 -0.232 0.000 1.094 247 M CB 0.120 32.397 32.600 -0.539 0.000 1.843 247 M HN 0.065 nan 8.290 nan 0.000 0.460 248 T N 3.964 118.568 114.554 0.083 0.000 2.845 248 T HA 0.228 4.578 4.350 -0.000 0.000 0.288 248 T C -0.661 174.092 174.700 0.089 0.000 0.980 248 T CA -0.546 61.596 62.100 0.069 0.000 1.071 248 T CB 0.645 69.536 68.868 0.039 0.000 0.941 248 T HN 0.551 nan 8.240 nan 0.000 0.487 249 D N 2.046 122.502 120.400 0.092 0.000 2.359 249 D HA 0.159 4.799 4.640 -0.000 0.000 0.230 249 D C 0.510 176.834 176.300 0.039 0.000 1.118 249 D CA -0.296 53.766 54.000 0.102 0.000 0.844 249 D CB 0.740 41.585 40.800 0.074 0.000 1.059 249 D HN 0.527 nan 8.370 nan 0.000 0.493 250 E N 2.659 122.858 120.200 -0.001 0.000 2.562 250 E HA 0.079 4.428 4.350 -0.000 0.000 0.214 250 E C 1.386 177.912 176.600 -0.124 0.000 0.979 250 E CA -0.172 56.211 56.400 -0.029 0.000 1.002 250 E CB 0.644 30.335 29.700 -0.014 0.000 1.048 250 E HN 0.406 nan 8.360 nan 0.000 0.488 251 R N 0.010 120.352 120.500 -0.262 0.000 2.244 251 R HA -0.150 4.190 4.340 -0.000 0.000 0.252 251 R C 0.931 176.785 176.300 -0.744 0.000 1.177 251 R CA 1.443 57.198 56.100 -0.574 0.000 1.004 251 R CB -0.146 29.593 30.300 -0.936 0.000 0.873 251 R HN 0.139 nan 8.270 nan 0.000 0.469 252 F N -0.268 119.616 119.950 -0.109 0.000 2.729 252 F HA 0.226 4.753 4.527 -0.000 0.000 0.315 252 F C 0.637 176.405 175.800 -0.054 0.000 1.102 252 F CA -0.573 57.357 58.000 -0.117 0.000 1.204 252 F CB 0.490 39.394 39.000 -0.161 0.000 1.052 252 F HN -0.295 nan 8.300 nan 0.000 0.551 253 K N 0.323 120.763 120.400 0.068 0.000 2.155 253 K HA 0.469 4.789 4.320 -0.000 0.000 0.237 253 K C 1.033 177.651 176.600 0.029 0.000 1.040 253 K CA 0.698 57.014 56.287 0.047 0.000 0.912 253 K CB 1.299 33.812 32.500 0.020 0.000 1.137 253 K HN 0.149 nan 8.250 nan 0.000 0.498 254 S N -2.346 113.369 115.700 0.025 0.000 3.897 254 S HA -0.120 4.350 4.470 -0.000 0.000 0.214 254 S C 1.515 176.122 174.600 0.013 0.000 1.102 254 S CA 0.505 58.716 58.200 0.019 0.000 1.116 254 S CB -0.567 62.652 63.200 0.032 0.000 1.288 254 S HN 0.601 nan 8.310 nan 0.000 0.458 255 T N -0.354 114.210 114.554 0.016 0.000 3.067 255 T HA 0.227 4.577 4.350 -0.000 0.000 0.257 255 T C 0.268 174.970 174.700 0.003 0.000 1.105 255 T CA 0.848 62.953 62.100 0.009 0.000 1.104 255 T CB -0.525 68.349 68.868 0.010 0.000 0.925 255 T HN 0.408 nan 8.240 nan 0.000 0.498 256 D N 1.560 121.963 120.400 0.005 0.000 2.225 256 D HA 0.560 5.200 4.640 -0.000 0.000 0.248 256 D C -0.321 175.972 176.300 -0.011 0.000 1.096 256 D CA -0.031 53.967 54.000 -0.003 0.000 0.863 256 D CB 1.095 41.896 40.800 0.002 0.000 1.156 256 D HN 0.557 nan 8.370 nan 0.000 0.450 257 K N 2.146 122.534 120.400 -0.020 0.000 2.422 257 K HA 0.529 4.849 4.320 -0.000 0.000 0.251 257 K C 0.433 177.007 176.600 -0.043 0.000 0.933 257 K CA -0.218 56.052 56.287 -0.029 0.000 0.798 257 K CB 1.039 33.524 32.500 -0.025 0.000 1.238 257 K HN 0.646 nan 8.250 nan 0.000 0.428 258 N N -0.852 117.812 118.700 -0.059 0.000 2.961 258 N HA -0.242 4.498 4.740 -0.000 0.000 0.223 258 N C 1.000 176.479 175.510 -0.052 0.000 0.866 258 N CA 3.134 56.148 53.050 -0.060 0.000 1.030 258 N CB -1.828 36.634 38.487 -0.042 0.000 1.037 258 N HN 1.398 nan 8.380 nan 0.000 0.608 259 V N -1.140 118.748 119.914 -0.043 0.000 3.383 259 V HA 0.046 4.166 4.120 -0.000 0.000 0.272 259 V C 1.893 177.962 176.094 -0.042 0.000 1.181 259 V CA 2.100 64.379 62.300 -0.035 0.000 1.171 259 V CB -0.349 31.457 31.823 -0.028 0.000 0.800 259 V HN 0.514 nan 8.190 nan 0.000 0.515 260 N N -1.166 117.499 118.700 -0.057 0.000 2.445 260 N HA 0.177 4.917 4.740 -0.000 0.000 0.204 260 N C 0.869 176.325 175.510 -0.091 0.000 1.098 260 N CA -0.058 52.953 53.050 -0.064 0.000 0.859 260 N CB 0.499 38.949 38.487 -0.062 0.000 1.249 260 N HN 0.564 nan 8.380 nan 0.000 0.462 261 M N 3.084 122.610 119.600 -0.123 0.000 2.513 261 M HA -0.027 4.453 4.480 -0.000 0.000 0.341 261 M C -0.817 175.337 176.300 -0.244 0.000 1.689 261 M CA 0.863 56.034 55.300 -0.215 0.000 1.202 261 M CB -0.404 32.055 32.600 -0.234 0.000 1.996 261 M HN 0.114 nan 8.290 nan 0.000 0.458 262 E N 4.952 124.985 120.200 -0.278 0.000 2.274 262 E HA 0.312 4.662 4.350 -0.000 0.000 0.269 262 E C -1.882 174.599 176.600 -0.198 0.000 0.891 262 E CA -0.839 55.449 56.400 -0.188 0.000 0.784 262 E CB 0.753 30.418 29.700 -0.058 0.000 1.225 262 E HN 0.509 nan 8.360 nan 0.000 0.412 263 Y N 2.390 122.656 120.300 -0.056 0.000 2.379 263 Y HA 0.170 4.720 4.550 -0.000 0.000 0.337 263 Y C 1.268 177.214 175.900 0.078 0.000 1.238 263 Y CA -0.697 57.381 58.100 -0.036 0.000 1.405 263 Y CB 0.467 38.790 38.460 -0.229 0.000 1.310 263 Y HN 0.515 nan 8.280 nan 0.000 0.569 264 I N -0.408 120.379 120.570 0.362 0.000 2.948 264 I HA 0.028 4.197 4.170 -0.000 0.000 0.290 264 I C 0.549 176.754 176.117 0.148 0.000 1.226 264 I CA -0.088 61.348 61.300 0.227 0.000 1.413 264 I CB 0.584 38.708 38.000 0.207 0.000 1.352 264 I HN 0.631 nan 8.210 nan 0.000 0.597 265 K N 1.369 121.826 120.400 0.095 0.000 2.354 265 K HA 0.258 4.578 4.320 -0.000 0.000 0.194 265 K C -0.327 176.081 176.600 -0.320 0.000 1.045 265 K CA 0.142 56.383 56.287 -0.077 0.000 1.026 265 K CB 0.203 32.686 32.500 -0.028 0.000 0.866 265 K HN 0.599 nan 8.250 nan 0.000 0.530 266 H N 0.050 119.151 119.070 0.051 0.000 2.782 266 H HA 0.236 4.792 4.556 -0.000 0.000 0.347 266 H C -1.589 173.773 175.328 0.056 0.000 1.038 266 H CA -0.942 55.134 56.048 0.047 0.000 1.255 266 H CB 2.112 31.906 29.762 0.054 0.000 1.623 266 H HN -0.107 nan 8.280 nan 0.000 0.525 267 L N 2.430 123.740 121.223 0.145 0.000 2.325 267 L HA 0.553 4.893 4.340 -0.000 0.000 0.281 267 L C 0.033 176.969 176.870 0.110 0.000 1.004 267 L CA -0.218 54.699 54.840 0.130 0.000 0.823 267 L CB 1.455 43.597 42.059 0.138 0.000 1.236 267 L HN 0.749 nan 8.230 nan 0.000 0.415 268 G N 4.333 113.209 108.800 0.127 0.000 2.356 268 G HA2 0.611 4.571 3.960 -0.000 0.000 0.322 268 G HA3 0.611 4.571 3.960 -0.000 0.000 0.322 268 G C -1.455 173.504 174.900 0.098 0.000 1.125 268 G CA -0.423 44.732 45.100 0.091 0.000 0.885 268 G HN 0.479 nan 8.290 nan 0.000 0.467 269 V N 1.814 121.703 119.914 -0.043 0.000 2.680 269 V HA 0.471 4.591 4.120 -0.000 0.000 0.309 269 V C -1.301 174.743 176.094 -0.082 0.000 1.052 269 V CA -0.747 61.602 62.300 0.081 0.000 0.908 269 V CB 1.835 33.767 31.823 0.181 0.000 1.001 269 V HN 0.695 nan 8.190 nan 0.000 0.431 270 Y N 4.724 125.136 120.300 0.186 0.000 2.338 270 Y HA 0.731 5.281 4.550 -0.000 0.000 0.328 270 Y C -0.142 175.807 175.900 0.083 0.000 0.965 270 Y CA -0.256 57.937 58.100 0.155 0.000 1.208 270 Y CB 1.798 40.350 38.460 0.153 0.000 1.132 270 Y HN 0.519 nan 8.280 nan 0.000 0.469 271 I N 2.392 123.001 120.570 0.066 0.000 2.994 271 I HA 0.392 4.562 4.170 -0.000 0.000 0.306 271 I C -0.928 175.180 176.117 -0.016 0.000 1.195 271 I CA -0.989 60.250 61.300 -0.100 0.000 1.001 271 I CB 1.562 39.190 38.000 -0.620 0.000 1.244 271 I HN 0.545 nan 8.210 nan 0.000 0.437 272 N N 4.727 123.432 118.700 0.008 0.000 2.329 272 N HA -0.047 4.693 4.740 -0.000 0.000 0.237 272 N C -0.221 175.355 175.510 0.110 0.000 1.258 272 N CA 0.455 53.547 53.050 0.070 0.000 0.866 272 N CB -0.017 38.522 38.487 0.086 0.000 1.102 272 N HN 0.702 nan 8.380 nan 0.000 0.440 273 N N -0.644 118.096 118.700 0.067 0.000 2.782 273 N HA -0.274 4.466 4.740 -0.000 0.000 0.274 273 N C 0.511 176.047 175.510 0.043 0.000 0.962 273 N CA 0.778 53.844 53.050 0.027 0.000 0.848 273 N CB -1.022 37.450 38.487 -0.024 0.000 0.923 273 N HN 0.614 nan 8.380 nan 0.000 0.575 274 A N 0.325 123.174 122.820 0.048 0.000 2.024 274 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 274 A C 1.575 179.139 177.584 -0.033 0.000 1.164 274 A CA 1.695 53.738 52.037 0.011 0.000 0.643 274 A CB -0.358 18.617 19.000 -0.043 0.000 0.806 274 A HN 0.608 nan 8.150 nan 0.000 0.451 275 D N -0.572 119.807 120.400 -0.034 0.000 2.350 275 D HA -0.078 4.562 4.640 -0.000 0.000 0.216 275 D C 2.001 178.255 176.300 -0.077 0.000 0.968 275 D CA 1.503 55.476 54.000 -0.045 0.000 0.894 275 D CB -0.100 40.683 40.800 -0.028 0.000 0.909 275 D HN 0.671 nan 8.370 nan 0.000 0.520 276 T N -2.166 112.311 114.554 -0.129 0.000 2.904 276 T HA -0.106 4.243 4.350 -0.000 0.000 0.243 276 T C 1.773 176.328 174.700 -0.241 0.000 1.024 276 T CA 0.164 62.140 62.100 -0.208 0.000 1.158 276 T CB -0.875 67.811 68.868 -0.303 0.000 0.867 276 T HN 0.043 nan 8.240 nan 0.000 0.429 277 Y N 2.698 122.850 120.300 -0.248 0.000 2.348 277 Y HA -0.053 4.497 4.550 -0.000 0.000 0.285 277 Y C 2.556 178.317 175.900 -0.231 0.000 1.173 277 Y CA 0.966 58.831 58.100 -0.391 0.000 1.263 277 Y CB -0.618 37.280 38.460 -0.937 0.000 0.974 277 Y HN 0.274 nan 8.280 nan 0.000 0.547 278 K N -0.145 120.233 120.400 -0.037 0.000 2.103 278 K HA -0.234 4.086 4.320 -0.000 0.000 0.207 278 K C 2.366 178.995 176.600 0.049 0.000 1.048 278 K CA 1.561 57.852 56.287 0.006 0.000 0.930 278 K CB -0.333 32.150 32.500 -0.027 0.000 0.716 278 K HN 0.504 nan 8.250 nan 0.000 0.444 279 E N 1.758 121.969 120.200 0.018 0.000 2.265 279 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 279 E C 1.653 178.285 176.600 0.053 0.000 0.996 279 E CA 1.147 57.559 56.400 0.019 0.000 0.832 279 E CB -0.429 29.261 29.700 -0.016 0.000 0.756 279 E HN 0.294 nan 8.360 nan 0.000 0.491 280 E N 0.068 120.343 120.200 0.124 0.000 2.274 280 E HA -0.037 4.313 4.350 -0.000 0.000 0.194 280 E C 2.273 178.968 176.600 0.159 0.000 0.996 280 E CA 0.849 57.350 56.400 0.169 0.000 0.840 280 E CB -0.117 29.810 29.700 0.378 0.000 0.772 280 E HN 0.467 nan 8.360 nan 0.000 0.491 281 V N 1.891 121.931 119.914 0.211 0.000 2.237 281 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 281 V C 2.200 178.387 176.094 0.154 0.000 1.046 281 V CA 1.781 64.195 62.300 0.191 0.000 1.007 281 V CB -0.293 31.646 31.823 0.194 0.000 0.638 281 V HN 0.158 nan 8.190 nan 0.000 0.445 282 E N -0.212 120.053 120.200 0.109 0.000 2.208 282 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 282 E C 2.118 178.768 176.600 0.083 0.000 0.988 282 E CA 0.770 57.230 56.400 0.101 0.000 0.828 282 E CB -0.230 29.510 29.700 0.067 0.000 0.763 282 E HN 0.564 nan 8.360 nan 0.000 0.478 283 K N 0.816 121.223 120.400 0.012 0.000 2.057 283 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 283 K C 2.057 178.590 176.600 -0.112 0.000 1.049 283 K CA 1.171 57.386 56.287 -0.120 0.000 0.931 283 K CB -0.029 32.330 32.500 -0.234 0.000 0.714 283 K HN 0.050 nan 8.250 nan 0.000 0.440 284 A N 1.448 124.266 122.820 -0.003 0.000 1.902 284 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 284 A C 2.115 179.911 177.584 0.354 0.000 1.181 284 A CA 1.802 53.895 52.037 0.094 0.000 0.623 284 A CB -0.557 18.424 19.000 -0.031 0.000 0.818 284 A HN 0.415 nan 8.150 nan 0.000 0.443 285 R N -0.522 120.217 120.500 0.398 0.000 2.075 285 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 285 R C 1.849 178.457 176.300 0.513 0.000 1.126 285 R CA 1.719 58.087 56.100 0.447 0.000 0.963 285 R CB -0.485 29.945 30.300 0.217 0.000 0.858 285 R HN 0.254 nan 8.270 nan 0.000 0.435 286 V N 0.219 120.388 119.914 0.426 0.000 2.295 286 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 286 V C 2.017 178.502 176.094 0.651 0.000 1.049 286 V CA 1.669 64.295 62.300 0.544 0.000 1.024 286 V CB -0.737 31.282 31.823 0.327 0.000 0.648 286 V HN 0.312 nan 8.190 nan 0.000 0.447 287 Y N -0.053 120.416 120.300 0.282 0.000 2.128 287 Y HA -0.290 4.260 4.550 -0.000 0.000 0.284 287 Y C 2.545 178.568 175.900 0.205 0.000 1.154 287 Y CA 1.500 59.721 58.100 0.201 0.000 1.149 287 Y CB -1.392 37.149 38.460 0.134 0.000 0.976 287 Y HN 0.480 nan 8.280 nan 0.000 0.505 288 Y N -0.466 120.053 120.300 0.366 0.000 2.081 288 Y HA -0.344 4.206 4.550 -0.000 0.000 0.280 288 Y C 2.352 178.435 175.900 0.305 0.000 1.163 288 Y CA 1.861 60.139 58.100 0.298 0.000 1.135 288 Y CB -1.311 37.367 38.460 0.363 0.000 0.970 288 Y HN 0.049 nan 8.280 nan 0.000 0.498 289 F N 1.177 120.925 119.950 -0.337 0.000 2.206 289 F HA 0.076 4.603 4.527 -0.000 0.000 0.298 289 F C 2.405 178.028 175.800 -0.295 0.000 1.090 289 F CA 1.540 59.205 58.000 -0.560 0.000 1.323 289 F CB -0.882 37.969 39.000 -0.248 0.000 1.028 289 F HN 0.142 nan 8.300 nan 0.000 0.492 290 G N -0.623 108.128 108.800 -0.081 0.000 2.476 290 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 290 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 290 G C 1.662 176.452 174.900 -0.184 0.000 1.164 290 G CA 1.529 46.597 45.100 -0.054 0.000 0.768 290 G HN 0.383 nan 8.290 nan 0.000 0.560 291 T N -0.388 114.062 114.554 -0.174 0.000 2.737 291 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 291 T C 2.018 176.617 174.700 -0.168 0.000 1.038 291 T CA 1.282 63.256 62.100 -0.210 0.000 1.144 291 T CB -0.327 68.370 68.868 -0.286 0.000 0.866 291 T HN 0.325 nan 8.240 nan 0.000 0.434 292 Y N 0.541 120.660 120.300 -0.301 0.000 2.293 292 Y HA -0.131 4.419 4.550 -0.000 0.000 0.291 292 Y C 2.195 177.846 175.900 -0.415 0.000 1.137 292 Y CA 0.706 58.676 58.100 -0.216 0.000 1.202 292 Y CB -0.429 37.776 38.460 -0.425 0.000 0.990 292 Y HN 0.304 nan 8.280 nan 0.000 0.537 293 Y N 0.075 119.833 120.300 -0.903 0.000 2.200 293 Y HA -0.159 4.391 4.550 -0.000 0.000 0.290 293 Y C 2.416 177.999 175.900 -0.528 0.000 1.137 293 Y CA 1.597 59.149 58.100 -0.914 0.000 1.163 293 Y CB -0.849 36.920 38.460 -1.152 0.000 0.988 293 Y HN 0.105 nan 8.280 nan 0.000 0.518 294 A N -0.645 121.952 122.820 -0.371 0.000 1.883 294 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 294 A C 2.515 179.911 177.584 -0.313 0.000 1.186 294 A CA 2.144 53.998 52.037 -0.305 0.000 0.624 294 A CB -1.552 17.363 19.000 -0.142 0.000 0.822 294 A HN 0.545 nan 8.150 nan 0.000 0.444 295 S N -0.770 114.757 115.700 -0.288 0.000 2.359 295 S HA -0.289 4.181 4.470 -0.000 0.000 0.224 295 S C 2.166 176.557 174.600 -0.349 0.000 1.035 295 S CA 1.919 59.979 58.200 -0.234 0.000 1.018 295 S CB -0.463 62.671 63.200 -0.111 0.000 0.876 295 S HN 0.667 nan 8.310 nan 0.000 0.448 296 Q N 0.133 119.581 119.800 -0.586 0.000 2.096 296 Q HA -0.081 4.259 4.340 -0.000 0.000 0.204 296 Q C 2.335 178.132 176.000 -0.339 0.000 0.982 296 Q CA 1.763 57.262 55.803 -0.507 0.000 0.850 296 Q CB -0.318 28.041 28.738 -0.632 0.000 0.901 296 Q HN 0.568 nan 8.270 nan 0.000 0.422 297 L N -0.013 120.949 121.223 -0.434 0.000 2.027 297 L HA -0.208 4.132 4.340 -0.000 0.000 0.206 297 L C 2.333 179.120 176.870 -0.137 0.000 1.074 297 L CA 1.022 55.677 54.840 -0.308 0.000 0.745 297 L CB -0.467 41.355 42.059 -0.395 0.000 0.898 297 L HN 0.251 nan 8.230 nan 0.000 0.433 298 I N 0.170 120.678 120.570 -0.103 0.000 2.142 298 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 298 I C 2.830 179.018 176.117 0.118 0.000 1.078 298 I CA 1.353 62.677 61.300 0.041 0.000 1.343 298 I CB -0.516 37.550 38.000 0.109 0.000 1.046 298 I HN 0.190 nan 8.210 nan 0.000 0.405 299 A N 0.880 123.749 122.820 0.081 0.000 1.978 299 A HA 0.014 4.334 4.320 -0.000 0.000 0.220 299 A C 1.633 179.228 177.584 0.018 0.000 1.170 299 A CA 1.059 53.168 52.037 0.120 0.000 0.636 299 A CB -0.905 18.126 19.000 0.051 0.000 0.810 299 A HN 0.387 nan 8.150 nan 0.000 0.448 300 A N 0.862 123.690 122.820 0.013 0.000 2.548 300 A HA 0.453 4.773 4.320 -0.000 0.000 0.247 300 A C -2.179 175.335 177.584 -0.116 0.000 1.067 300 A CA -0.891 51.115 52.037 -0.052 0.000 0.757 300 A CB -0.367 18.691 19.000 0.096 0.000 0.996 300 A HN 0.305 nan 8.150 nan 0.000 0.504 301 P HA 0.178 nan 4.420 nan 0.000 0.273 301 P C 0.756 178.046 177.300 -0.017 0.000 1.250 301 P CA -0.257 62.761 63.100 -0.136 0.000 0.793 301 P CB 0.601 32.180 31.700 -0.201 0.000 1.011 302 S N 0.148 115.820 115.700 -0.047 0.000 2.489 302 S HA -0.092 4.378 4.470 -0.000 0.000 0.228 302 S C 1.470 176.022 174.600 -0.081 0.000 0.995 302 S CA 0.764 58.939 58.200 -0.041 0.000 0.934 302 S CB -0.870 62.295 63.200 -0.057 0.000 0.771 302 S HN 0.621 nan 8.310 nan 0.000 0.522 303 N N 0.737 119.391 118.700 -0.076 0.000 2.270 303 N HA -0.108 4.632 4.740 -0.000 0.000 0.181 303 N C 1.201 176.613 175.510 -0.164 0.000 1.016 303 N CA 1.202 54.186 53.050 -0.110 0.000 0.870 303 N CB -0.626 37.775 38.487 -0.144 0.000 0.979 303 N HN 0.442 nan 8.380 nan 0.000 0.431 304 Y N 0.525 120.782 120.300 -0.072 0.000 2.230 304 Y HA 0.183 4.733 4.550 -0.000 0.000 0.294 304 Y C 1.153 177.019 175.900 -0.058 0.000 1.120 304 Y CA 0.387 58.479 58.100 -0.014 0.000 1.129 304 Y CB -0.181 38.325 38.460 0.078 0.000 1.040 304 Y HN 0.097 nan 8.280 nan 0.000 0.519 305 C N 3.193 122.554 119.300 0.101 0.000 2.168 305 C HA 0.427 4.887 4.460 -0.000 0.000 0.333 305 C C -0.210 174.712 174.990 -0.113 0.000 1.106 305 C CA -0.847 58.169 59.018 -0.004 0.000 1.574 305 C CB -2.695 25.050 27.740 0.008 0.000 2.055 305 C HN 0.553 nan 8.230 nan 0.000 0.473 306 N N 4.353 122.913 118.700 -0.234 0.000 2.577 306 N HA 0.652 5.392 4.740 -0.000 0.000 0.285 306 N C -2.479 172.875 175.510 -0.259 0.000 1.309 306 N CA -1.737 51.055 53.050 -0.430 0.000 0.798 306 N CB 0.712 38.502 38.487 -1.161 0.000 1.463 306 N HN 0.050 nan 8.380 nan 0.000 0.518 307 P HA -0.138 nan 4.420 nan 0.000 0.216 307 P C 1.114 178.408 177.300 -0.009 0.000 1.150 307 P CA 0.884 63.965 63.100 -0.031 0.000 0.837 307 P CB 0.172 31.911 31.700 0.065 0.000 0.786 308 V N 0.311 120.210 119.914 -0.025 0.000 2.307 308 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 308 V C 2.581 178.678 176.094 0.006 0.000 1.045 308 V CA 2.460 64.778 62.300 0.030 0.000 1.024 308 V CB -1.705 30.171 31.823 0.088 0.000 0.651 308 V HN 0.267 nan 8.190 nan 0.000 0.449 309 S N -0.235 115.439 115.700 -0.043 0.000 2.406 309 S HA -0.095 4.375 4.470 -0.000 0.000 0.228 309 S C 2.043 176.640 174.600 -0.004 0.000 1.020 309 S CA 1.192 59.383 58.200 -0.015 0.000 0.965 309 S CB -0.480 62.704 63.200 -0.026 0.000 0.798 309 S HN 0.471 nan 8.310 nan 0.000 0.488 310 L N 2.068 123.276 121.223 -0.025 0.000 2.005 310 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 310 L C 2.927 179.803 176.870 0.011 0.000 1.072 310 L CA 1.873 56.703 54.840 -0.016 0.000 0.744 310 L CB -0.795 41.244 42.059 -0.033 0.000 0.895 310 L HN 0.615 nan 8.230 nan 0.000 0.433 311 S N -0.399 115.314 115.700 0.022 0.000 2.383 311 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 311 S C 1.660 176.283 174.600 0.037 0.000 1.030 311 S CA 1.332 59.559 58.200 0.045 0.000 1.002 311 S CB -0.665 62.579 63.200 0.073 0.000 0.829 311 S HN 0.465 nan 8.310 nan 0.000 0.467 312 N N 2.783 121.503 118.700 0.033 0.000 2.120 312 N HA 0.034 4.774 4.740 -0.000 0.000 0.188 312 N C 1.972 177.497 175.510 0.025 0.000 1.024 312 N CA 1.580 54.644 53.050 0.024 0.000 0.852 312 N CB -0.988 37.519 38.487 0.035 0.000 1.003 312 N HN 0.625 nan 8.380 nan 0.000 0.424 313 A N 0.841 123.691 122.820 0.050 0.000 1.933 313 A HA 0.055 4.375 4.320 -0.000 0.000 0.218 313 A C 2.360 180.015 177.584 0.118 0.000 1.175 313 A CA 1.832 53.929 52.037 0.100 0.000 0.628 313 A CB -0.783 18.268 19.000 0.086 0.000 0.814 313 A HN 0.315 nan 8.150 nan 0.000 0.444 314 A N -0.473 122.392 122.820 0.076 0.000 1.877 314 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 314 A C 2.232 179.794 177.584 -0.036 0.000 1.186 314 A CA 1.807 53.881 52.037 0.062 0.000 0.620 314 A CB -1.055 17.984 19.000 0.064 0.000 0.822 314 A HN 0.390 nan 8.150 nan 0.000 0.443 315 V N 0.138 119.974 119.914 -0.129 0.000 2.282 315 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 315 V C 2.582 178.467 176.094 -0.349 0.000 1.057 315 V CA 2.551 64.589 62.300 -0.437 0.000 1.032 315 V CB -0.753 30.832 31.823 -0.396 0.000 0.645 315 V HN 0.815 nan 8.190 nan 0.000 0.447 316 E N -0.271 119.851 120.200 -0.130 0.000 2.058 316 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 316 E C 2.176 178.762 176.600 -0.023 0.000 0.997 316 E CA 1.689 58.059 56.400 -0.050 0.000 0.801 316 E CB -0.190 29.544 29.700 0.057 0.000 0.746 316 E HN 0.449 nan 8.360 nan 0.000 0.450 317 L N 0.811 122.060 121.223 0.043 0.000 2.017 317 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 317 L C 2.306 179.169 176.870 -0.012 0.000 1.073 317 L CA 2.258 57.124 54.840 0.043 0.000 0.745 317 L CB -0.728 41.349 42.059 0.030 0.000 0.894 317 L HN 0.209 nan 8.230 nan 0.000 0.432 318 A N -1.219 121.576 122.820 -0.041 0.000 1.940 318 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 318 A C 2.210 179.820 177.584 0.043 0.000 1.176 318 A CA 1.929 53.974 52.037 0.014 0.000 0.631 318 A CB -0.600 18.434 19.000 0.056 0.000 0.814 318 A HN 0.665 nan 8.150 nan 0.000 0.446 319 Q N -0.448 119.331 119.800 -0.035 0.000 2.084 319 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 319 Q C 1.998 177.997 176.000 -0.001 0.000 0.978 319 Q CA 1.657 57.470 55.803 0.017 0.000 0.844 319 Q CB -0.166 28.555 28.738 -0.028 0.000 0.898 319 Q HN 0.632 nan 8.270 nan 0.000 0.426 320 K N 0.169 120.543 120.400 -0.042 0.000 2.209 320 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 320 K C 1.431 178.016 176.600 -0.024 0.000 1.048 320 K CA 0.767 57.015 56.287 -0.065 0.000 0.940 320 K CB 0.149 32.569 32.500 -0.133 0.000 0.729 320 K HN 0.207 nan 8.250 nan 0.000 0.451 321 L N -0.336 120.890 121.223 0.006 0.000 2.728 321 L HA 0.085 4.425 4.340 -0.000 0.000 0.238 321 L C 0.594 177.495 176.870 0.051 0.000 1.143 321 L CA 0.114 54.963 54.840 0.015 0.000 0.937 321 L CB -0.514 41.546 42.059 0.003 0.000 1.225 321 L HN 0.313 nan 8.230 nan 0.000 0.507 322 N N 0.991 119.726 118.700 0.059 0.000 2.727 322 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 322 N C 0.052 175.626 175.510 0.107 0.000 1.048 322 N CA 1.061 54.158 53.050 0.078 0.000 0.714 322 N CB -2.562 35.954 38.487 0.049 0.000 0.959 322 N HN 0.305 nan 8.380 nan 0.000 0.544 323 L N 0.062 121.373 121.223 0.146 0.000 2.350 323 L HA 0.378 4.718 4.340 -0.000 0.000 0.275 323 L C 0.884 177.884 176.870 0.216 0.000 1.099 323 L CA -0.866 54.085 54.840 0.185 0.000 0.808 323 L CB 1.499 43.677 42.059 0.199 0.000 1.149 323 L HN 0.424 nan 8.230 nan 0.000 0.442 324 E N 1.118 121.407 120.200 0.149 0.000 2.392 324 E HA 0.165 4.515 4.350 -0.000 0.000 0.264 324 E C -1.033 175.685 176.600 0.197 0.000 1.024 324 E CA 0.103 56.550 56.400 0.079 0.000 0.903 324 E CB 0.808 30.513 29.700 0.009 0.000 0.963 324 E HN 0.423 nan 8.360 nan 0.000 0.432 325 Y N -1.095 119.252 120.300 0.078 0.000 2.588 325 Y HA 0.764 5.314 4.550 -0.000 0.000 0.343 325 Y C -0.551 175.397 175.900 0.079 0.000 1.065 325 Y CA -1.459 56.706 58.100 0.110 0.000 1.038 325 Y CB 1.776 40.307 38.460 0.117 0.000 1.297 325 Y HN 0.437 nan 8.280 nan 0.000 0.467 326 K N 2.926 123.481 120.400 0.259 0.000 2.535 326 K HA 0.582 4.902 4.320 -0.000 0.000 0.251 326 K C -2.166 174.631 176.600 0.328 0.000 0.942 326 K CA -0.682 55.721 56.287 0.192 0.000 0.798 326 K CB 1.603 34.144 32.500 0.069 0.000 1.267 326 K HN 0.770 nan 8.250 nan 0.000 0.434 327 I N 5.184 125.931 120.570 0.295 0.000 2.355 327 I HA 0.256 4.426 4.170 -0.000 0.000 0.288 327 I C -0.658 175.593 176.117 0.224 0.000 0.999 327 I CA -0.924 60.539 61.300 0.271 0.000 1.163 327 I CB 0.997 39.136 38.000 0.230 0.000 1.316 327 I HN 0.551 nan 8.210 nan 0.000 0.454 328 L N 6.095 127.469 121.223 0.252 0.000 2.281 328 L HA 0.528 4.868 4.340 -0.000 0.000 0.285 328 L C 0.925 177.907 176.870 0.186 0.000 1.074 328 L CA 0.316 55.266 54.840 0.184 0.000 0.817 328 L CB 0.979 43.103 42.059 0.108 0.000 1.168 328 L HN 0.691 nan 8.230 nan 0.000 0.434 329 G N 2.270 111.147 108.800 0.128 0.000 2.531 329 G HA2 0.453 4.413 3.960 -0.000 0.000 0.313 329 G HA3 0.453 4.413 3.960 -0.000 0.000 0.313 329 G C 0.926 175.866 174.900 0.067 0.000 1.238 329 G CA -0.602 44.559 45.100 0.101 0.000 0.994 329 G HN 0.371 nan 8.290 nan 0.000 0.493 330 V N 0.034 119.969 119.914 0.036 0.000 2.324 330 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 330 V C 3.141 179.240 176.094 0.007 0.000 1.060 330 V CA 2.434 64.734 62.300 -0.001 0.000 1.042 330 V CB -0.735 31.079 31.823 -0.014 0.000 0.650 330 V HN 0.595 nan 8.190 nan 0.000 0.450 331 K N -0.509 119.903 120.400 0.020 0.000 2.032 331 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 331 K C 2.146 178.761 176.600 0.024 0.000 1.048 331 K CA 2.000 58.298 56.287 0.019 0.000 0.927 331 K CB -0.453 32.061 32.500 0.023 0.000 0.712 331 K HN 0.813 nan 8.250 nan 0.000 0.441 332 E N 0.472 120.693 120.200 0.035 0.000 2.072 332 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 332 E C 2.149 178.770 176.600 0.035 0.000 0.985 332 E CA 1.520 57.943 56.400 0.039 0.000 0.801 332 E CB -0.243 29.489 29.700 0.052 0.000 0.750 332 E HN 0.303 nan 8.360 nan 0.000 0.452 333 L N 0.909 122.154 121.223 0.036 0.000 2.079 333 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 333 L C 2.292 179.177 176.870 0.024 0.000 1.081 333 L CA 1.399 56.262 54.840 0.038 0.000 0.752 333 L CB -0.413 41.668 42.059 0.036 0.000 0.896 333 L HN 0.156 nan 8.230 nan 0.000 0.433 334 E N -0.342 119.864 120.200 0.010 0.000 2.051 334 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 334 E C 2.248 178.858 176.600 0.018 0.000 0.991 334 E CA 1.380 57.785 56.400 0.009 0.000 0.799 334 E CB -0.032 29.670 29.700 0.002 0.000 0.748 334 E HN 0.300 nan 8.360 nan 0.000 0.449 335 E N 0.375 120.587 120.200 0.020 0.000 2.118 335 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 335 E C 1.928 178.543 176.600 0.025 0.000 0.992 335 E CA 0.728 57.141 56.400 0.021 0.000 0.804 335 E CB -0.246 29.467 29.700 0.021 0.000 0.741 335 E HN 0.305 nan 8.360 nan 0.000 0.458 336 L N -0.457 120.785 121.223 0.032 0.000 2.599 336 L HA 0.162 4.502 4.340 -0.000 0.000 0.230 336 L C 0.844 177.742 176.870 0.046 0.000 1.141 336 L CA 0.458 55.322 54.840 0.040 0.000 0.877 336 L CB -0.115 41.976 42.059 0.052 0.000 1.009 336 L HN 0.179 nan 8.230 nan 0.000 0.447 337 K N -0.122 120.302 120.400 0.041 0.000 3.167 337 K HA -0.188 4.132 4.320 -0.000 0.000 0.272 337 K C -0.001 176.637 176.600 0.064 0.000 1.137 337 K CA 0.496 56.810 56.287 0.045 0.000 0.800 337 K CB -1.494 31.031 32.500 0.042 0.000 1.253 337 K HN 0.294 nan 8.250 nan 0.000 0.497 338 M N 0.519 120.163 119.600 0.074 0.000 3.422 338 M HA 0.056 4.536 4.480 -0.000 0.000 0.248 338 M C 1.627 177.979 176.300 0.087 0.000 1.433 338 M CA 0.315 55.685 55.300 0.116 0.000 1.592 338 M CB 0.353 33.076 32.600 0.205 0.000 1.078 338 M HN 0.406 nan 8.290 nan 0.000 0.578 339 G N 0.410 109.250 108.800 0.066 0.000 2.421 339 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.217 339 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.217 339 G C 1.481 176.400 174.900 0.032 0.000 1.143 339 G CA 0.923 46.047 45.100 0.039 0.000 0.784 339 G HN 0.657 nan 8.290 nan 0.000 0.541 340 A N 0.270 123.129 122.820 0.065 0.000 1.873 340 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 340 A C 2.208 179.815 177.584 0.038 0.000 1.186 340 A CA 1.646 53.712 52.037 0.049 0.000 0.616 340 A CB -0.729 18.297 19.000 0.043 0.000 0.823 340 A HN 0.400 nan 8.150 nan 0.000 0.442 341 Y N 0.685 120.953 120.300 -0.054 0.000 2.145 341 Y HA -0.130 4.420 4.550 -0.000 0.000 0.286 341 Y C 1.869 177.725 175.900 -0.073 0.000 1.145 341 Y CA 1.646 59.716 58.100 -0.049 0.000 1.148 341 Y CB -0.690 37.784 38.460 0.023 0.000 0.981 341 Y HN 0.195 nan 8.280 nan 0.000 0.507 342 L N -0.817 120.271 121.223 -0.225 0.000 2.201 342 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 342 L C 2.526 179.247 176.870 -0.248 0.000 1.105 342 L CA 1.299 55.940 54.840 -0.332 0.000 0.775 342 L CB -0.592 41.345 42.059 -0.204 0.000 0.913 342 L HN 0.109 nan 8.230 nan 0.000 0.440 343 S N -0.650 114.915 115.700 -0.225 0.000 2.383 343 S HA -0.133 4.337 4.470 -0.000 0.000 0.227 343 S C 2.023 176.234 174.600 -0.647 0.000 1.026 343 S CA 1.063 59.072 58.200 -0.318 0.000 0.981 343 S CB -0.092 62.952 63.200 -0.259 0.000 0.818 343 S HN 0.172 nan 8.310 nan 0.000 0.472 344 V N 1.322 120.829 119.914 -0.678 0.000 2.407 344 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 344 V C 2.445 178.376 176.094 -0.271 0.000 1.055 344 V CA 1.905 63.805 62.300 -0.666 0.000 1.049 344 V CB -1.180 30.474 31.823 -0.282 0.000 0.662 344 V HN 0.591 nan 8.190 nan 0.000 0.455 345 G N -1.037 107.641 108.800 -0.204 0.000 2.712 345 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.212 345 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.212 345 G C 1.537 176.397 174.900 -0.066 0.000 1.142 345 G CA 0.105 45.144 45.100 -0.102 0.000 0.789 345 G HN 0.435 nan 8.290 nan 0.000 0.535 346 K N 0.241 120.590 120.400 -0.085 0.000 2.089 346 K HA -0.111 4.209 4.320 -0.000 0.000 0.210 346 K C 2.566 179.180 176.600 0.023 0.000 1.048 346 K CA 1.212 57.484 56.287 -0.024 0.000 0.926 346 K CB -0.254 32.250 32.500 0.006 0.000 0.714 346 K HN 0.276 nan 8.250 nan 0.000 0.448 347 G N 0.381 109.218 108.800 0.061 0.000 2.598 347 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.215 347 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.215 347 G C 0.491 175.413 174.900 0.037 0.000 1.131 347 G CA 0.025 45.168 45.100 0.072 0.000 0.785 347 G HN 0.220 nan 8.290 nan 0.000 0.539 348 S N -0.096 115.624 115.700 0.033 0.000 2.610 348 S HA 0.336 4.806 4.470 -0.000 0.000 0.273 348 S C 1.687 176.250 174.600 -0.062 0.000 1.274 348 S CA -0.402 57.816 58.200 0.029 0.000 1.023 348 S CB 0.842 64.111 63.200 0.116 0.000 0.962 348 S HN 0.307 nan 8.310 nan 0.000 0.523 349 M N 2.794 122.269 119.600 -0.210 0.000 2.562 349 M HA 0.200 4.680 4.480 -0.000 0.000 0.257 349 M C -0.946 175.098 176.300 -0.427 0.000 1.099 349 M CA 0.617 55.702 55.300 -0.358 0.000 1.099 349 M CB -0.368 31.931 32.600 -0.502 0.000 1.427 349 M HN 0.535 nan 8.290 nan 0.000 0.489 350 Y N 1.972 122.277 120.300 0.008 0.000 2.335 350 Y HA 0.545 5.094 4.550 -0.000 0.000 0.339 350 Y C -2.320 173.583 175.900 0.006 0.000 0.987 350 Y CA -2.900 55.207 58.100 0.011 0.000 1.140 350 Y CB 0.243 38.716 38.460 0.021 0.000 1.173 350 Y HN 0.004 nan 8.280 nan 0.000 0.486 351 P HA -0.027 nan 4.420 nan 0.000 0.266 351 P C -0.632 176.713 177.300 0.076 0.000 1.195 351 P CA -0.101 63.039 63.100 0.066 0.000 0.768 351 P CB 0.566 32.302 31.700 0.060 0.000 0.838 352 N N 2.579 121.279 118.700 -0.000 0.000 2.407 352 N HA 0.032 4.772 4.740 -0.000 0.000 0.250 352 N C -0.016 175.562 175.510 0.112 0.000 1.236 352 N CA 0.732 53.778 53.050 -0.006 0.000 0.879 352 N CB 0.021 38.305 38.487 -0.339 0.000 1.088 352 N HN 0.183 nan 8.380 nan 0.000 0.450 353 K N 2.016 122.545 120.400 0.215 0.000 2.507 353 K HA 0.291 4.611 4.320 -0.000 0.000 0.252 353 K C -1.191 175.588 176.600 0.299 0.000 0.943 353 K CA -0.528 55.895 56.287 0.227 0.000 0.808 353 K CB 1.428 34.017 32.500 0.149 0.000 1.142 353 K HN 0.404 nan 8.250 nan 0.000 0.426 354 F N 4.009 124.063 119.950 0.173 0.000 2.405 354 F HA 0.433 4.960 4.527 -0.000 0.000 0.355 354 F C 0.001 175.831 175.800 0.050 0.000 1.121 354 F CA -0.950 57.089 58.000 0.064 0.000 1.112 354 F CB 0.536 39.539 39.000 0.005 0.000 1.126 354 F HN 0.388 nan 8.300 nan 0.000 0.481 355 I N 6.340 126.869 120.570 -0.067 0.000 2.325 355 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 355 I C -0.604 175.654 176.117 0.235 0.000 1.019 355 I CA -0.256 61.108 61.300 0.106 0.000 1.302 355 I CB 0.807 38.822 38.000 0.025 0.000 1.401 355 I HN 0.598 nan 8.210 nan 0.000 0.485 356 H N 6.807 126.064 119.070 0.312 0.000 2.887 356 H HA 0.465 5.021 4.556 -0.000 0.000 0.300 356 H C -1.464 174.098 175.328 0.389 0.000 1.038 356 H CA -0.920 55.363 56.048 0.393 0.000 1.352 356 H CB 0.916 30.949 29.762 0.453 0.000 1.473 356 H HN 0.376 nan 8.280 nan 0.000 0.503 357 L N 3.915 125.556 121.223 0.697 0.000 2.325 357 L HA 0.439 4.779 4.340 -0.000 0.000 0.278 357 L C -0.071 177.236 176.870 0.729 0.000 1.023 357 L CA -0.277 54.922 54.840 0.598 0.000 0.811 357 L CB 2.035 44.351 42.059 0.429 0.000 1.249 357 L HN 0.631 nan 8.230 nan 0.000 0.431 358 T N 2.023 116.878 114.554 0.500 0.000 2.881 358 T HA 0.373 4.723 4.350 -0.000 0.000 0.290 358 T C -1.437 173.457 174.700 0.324 0.000 1.000 358 T CA -0.378 61.921 62.100 0.333 0.000 0.978 358 T CB 1.027 69.982 68.868 0.145 0.000 0.997 358 T HN 0.312 nan 8.240 nan 0.000 0.443 359 Y N 2.757 123.192 120.300 0.224 0.000 2.335 359 Y HA 0.632 5.182 4.550 -0.000 0.000 0.338 359 Y C -0.286 175.632 175.900 0.031 0.000 0.977 359 Y CA -0.786 57.414 58.100 0.167 0.000 1.114 359 Y CB 0.948 39.585 38.460 0.294 0.000 1.182 359 Y HN 0.460 nan 8.280 nan 0.000 0.463 360 K N 4.234 124.269 120.400 -0.608 0.000 2.292 360 K HA 0.485 4.805 4.320 -0.000 0.000 0.257 360 K C -0.640 175.520 176.600 -0.733 0.000 0.940 360 K CA -0.648 55.358 56.287 -0.467 0.000 0.811 360 K CB 1.416 33.776 32.500 -0.234 0.000 1.120 360 K HN 0.764 nan 8.250 nan 0.000 0.428 361 S N 1.179 116.646 115.700 -0.388 0.000 2.593 361 S HA -0.008 4.462 4.470 -0.000 0.000 0.269 361 S C 1.220 175.734 174.600 -0.143 0.000 1.334 361 S CA -0.539 57.540 58.200 -0.201 0.000 1.015 361 S CB 1.440 64.652 63.200 0.020 0.000 0.912 361 S HN 0.511 nan 8.310 nan 0.000 0.541 362 K N 1.516 121.869 120.400 -0.078 0.000 2.057 362 K HA 0.022 4.342 4.320 -0.000 0.000 0.206 362 K C 1.440 178.019 176.600 -0.034 0.000 1.050 362 K CA 0.971 57.226 56.287 -0.054 0.000 0.935 362 K CB -0.891 31.594 32.500 -0.025 0.000 0.715 362 K HN 0.788 nan 8.250 nan 0.000 0.439 363 G N 0.222 109.011 108.800 -0.017 0.000 2.485 363 G HA2 0.285 4.245 3.960 -0.000 0.000 0.260 363 G HA3 0.285 4.245 3.960 -0.000 0.000 0.260 363 G C -0.023 174.869 174.900 -0.013 0.000 1.459 363 G CA 0.083 45.177 45.100 -0.010 0.000 1.060 363 G HN 0.549 nan 8.290 nan 0.000 0.546 364 D N -1.401 118.994 120.400 -0.008 0.000 2.425 364 D HA 0.415 5.055 4.640 -0.000 0.000 0.247 364 D C 0.077 176.374 176.300 -0.005 0.000 1.147 364 D CA -0.296 53.699 54.000 -0.008 0.000 0.879 364 D CB 1.058 41.855 40.800 -0.005 0.000 1.179 364 D HN 0.312 nan 8.370 nan 0.000 0.456 365 V N 2.814 122.723 119.914 -0.007 0.000 2.432 365 V HA 0.220 4.340 4.120 -0.000 0.000 0.271 365 V C 1.229 177.322 176.094 -0.002 0.000 1.046 365 V CA -0.077 62.222 62.300 -0.002 0.000 0.945 365 V CB 1.052 32.873 31.823 -0.004 0.000 0.992 365 V HN 0.745 nan 8.190 nan 0.000 0.471 366 K N 2.299 122.700 120.400 0.001 0.000 2.370 366 K HA 0.167 4.487 4.320 -0.000 0.000 0.194 366 K C 0.312 176.904 176.600 -0.014 0.000 1.070 366 K CA 0.037 56.321 56.287 -0.005 0.000 0.998 366 K CB 0.824 33.323 32.500 -0.001 0.000 0.911 366 K HN 0.312 nan 8.250 nan 0.000 0.533 367 K N 1.445 121.841 120.400 -0.007 0.000 2.513 367 K HA 0.340 4.660 4.320 -0.000 0.000 0.251 367 K C -1.831 174.772 176.600 0.005 0.000 0.939 367 K CA -0.762 55.515 56.287 -0.018 0.000 0.793 367 K CB 1.969 34.476 32.500 0.011 0.000 1.241 367 K HN -0.004 nan 8.250 nan 0.000 0.431 368 K N 2.785 123.181 120.400 -0.008 0.000 2.323 368 K HA 0.591 4.911 4.320 -0.000 0.000 0.259 368 K C -0.606 176.050 176.600 0.093 0.000 0.947 368 K CA -0.535 55.787 56.287 0.059 0.000 0.819 368 K CB 1.522 34.067 32.500 0.075 0.000 1.109 368 K HN 0.467 nan 8.250 nan 0.000 0.429 369 I N 2.037 122.697 120.570 0.150 0.000 2.498 369 I HA 0.389 4.559 4.170 -0.000 0.000 0.290 369 I C -0.563 175.665 176.117 0.184 0.000 1.032 369 I CA -0.914 60.511 61.300 0.208 0.000 1.073 369 I CB 2.099 40.235 38.000 0.226 0.000 1.251 369 I HN 0.587 nan 8.210 nan 0.000 0.426 370 A N 7.728 130.666 122.820 0.197 0.000 2.271 370 A HA 0.775 5.095 4.320 -0.000 0.000 0.317 370 A C -0.755 176.906 177.584 0.127 0.000 1.245 370 A CA -0.429 51.700 52.037 0.153 0.000 0.857 370 A CB 0.501 19.583 19.000 0.137 0.000 1.175 370 A HN 0.696 nan 8.150 nan 0.000 0.512 371 L N 3.612 124.864 121.223 0.048 0.000 2.280 371 L HA 0.466 4.806 4.340 -0.000 0.000 0.287 371 L C -0.842 176.085 176.870 0.096 0.000 1.023 371 L CA -0.737 54.145 54.840 0.070 0.000 0.819 371 L CB 1.610 43.694 42.059 0.042 0.000 1.212 371 L HN 0.412 nan 8.230 nan 0.000 0.420 372 V N 2.470 122.445 119.914 0.101 0.000 2.357 372 V HA 0.580 4.700 4.120 -0.000 0.000 0.284 372 V C 0.530 176.654 176.094 0.050 0.000 1.018 372 V CA -0.506 61.835 62.300 0.068 0.000 0.841 372 V CB 1.544 33.426 31.823 0.099 0.000 0.991 372 V HN 0.841 nan 8.190 nan 0.000 0.437 373 G N 3.201 112.000 108.800 -0.003 0.000 2.372 373 G HA2 0.473 4.432 3.960 -0.000 0.000 0.323 373 G HA3 0.473 4.432 3.960 -0.000 0.000 0.323 373 G C -0.502 174.357 174.900 -0.069 0.000 1.152 373 G CA -0.691 44.402 45.100 -0.012 0.000 0.906 373 G HN 0.680 nan 8.290 nan 0.000 0.460 374 K N 1.302 121.674 120.400 -0.047 0.000 2.416 374 K HA 0.319 4.639 4.320 -0.000 0.000 0.283 374 K C 0.506 177.045 176.600 -0.103 0.000 1.037 374 K CA 0.046 56.286 56.287 -0.077 0.000 0.995 374 K CB 0.425 32.894 32.500 -0.052 0.000 0.938 374 K HN 0.460 nan 8.250 nan 0.000 0.475 375 G N 6.252 114.983 108.800 -0.116 0.000 4.876 375 G HA2 0.263 4.223 3.960 -0.000 0.000 0.304 375 G HA3 0.263 4.223 3.960 -0.000 0.000 0.304 375 G C -0.583 174.283 174.900 -0.056 0.000 1.396 375 G CA -0.491 44.550 45.100 -0.097 0.000 0.978 375 G HN 0.480 nan 8.290 nan 0.000 0.565 376 I N 2.751 123.287 120.570 -0.056 0.000 2.301 376 I HA 0.162 4.332 4.170 -0.000 0.000 0.292 376 I C 1.732 177.843 176.117 -0.011 0.000 1.046 376 I CA -0.304 60.981 61.300 -0.025 0.000 1.282 376 I CB 0.504 38.474 38.000 -0.050 0.000 1.409 376 I HN 0.321 nan 8.210 nan 0.000 0.484 377 T N 2.799 117.373 114.554 0.034 0.000 3.014 377 T HA 0.039 4.389 4.350 -0.000 0.000 0.263 377 T C 0.254 175.058 174.700 0.173 0.000 1.078 377 T CA 0.579 62.712 62.100 0.054 0.000 1.135 377 T CB 0.072 68.943 68.868 0.006 0.000 0.895 377 T HN 0.291 nan 8.240 nan 0.000 0.480 378 F N 1.143 121.095 119.950 0.003 0.000 2.604 378 F HA 0.509 5.036 4.527 -0.000 0.000 0.316 378 F C -2.216 173.603 175.800 0.030 0.000 1.136 378 F CA -1.825 56.185 58.000 0.018 0.000 0.989 378 F CB 2.083 41.096 39.000 0.021 0.000 1.258 378 F HN -0.132 nan 8.300 nan 0.000 0.451 379 D N 2.751 122.606 120.400 -0.909 0.000 2.477 379 D HA 0.208 4.848 4.640 -0.000 0.000 0.239 379 D C 0.725 176.484 176.300 -0.901 0.000 1.102 379 D CA 0.190 53.807 54.000 -0.638 0.000 0.901 379 D CB 1.230 41.838 40.800 -0.321 0.000 1.026 379 D HN 0.474 nan 8.370 nan 0.000 0.515 380 S N 2.063 117.396 115.700 -0.611 0.000 2.481 380 S HA 0.141 4.611 4.470 -0.000 0.000 0.231 380 S C 1.749 176.269 174.600 -0.133 0.000 0.996 380 S CA 0.754 58.809 58.200 -0.241 0.000 0.942 380 S CB 0.005 63.270 63.200 0.109 0.000 0.768 380 S HN 0.727 nan 8.310 nan 0.000 0.520 381 G N 0.478 109.206 108.800 -0.120 0.000 2.234 381 G HA2 0.161 4.121 3.960 -0.000 0.000 0.235 381 G HA3 0.161 4.121 3.960 -0.000 0.000 0.235 381 G C 1.232 176.121 174.900 -0.019 0.000 0.997 381 G CA 0.315 45.381 45.100 -0.057 0.000 0.623 381 G HN 1.815 nan 8.290 nan 0.000 0.514 382 G N -0.682 108.106 108.800 -0.019 0.000 2.562 382 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.250 382 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.250 382 G C 0.532 175.368 174.900 -0.107 0.000 1.269 382 G CA 0.610 45.698 45.100 -0.019 0.000 0.919 382 G HN 1.069 nan 8.290 nan 0.000 0.574 383 Y N 1.204 121.472 120.300 -0.053 0.000 2.315 383 Y HA -0.061 4.489 4.550 -0.000 0.000 0.288 383 Y C 2.426 178.289 175.900 -0.062 0.000 1.154 383 Y CA 2.001 60.065 58.100 -0.060 0.000 1.229 383 Y CB -0.210 38.199 38.460 -0.085 0.000 0.980 383 Y HN 0.418 nan 8.280 nan 0.000 0.540 384 N N 0.990 119.709 118.700 0.032 0.000 3.111 384 N HA 0.111 4.851 4.740 -0.000 0.000 0.302 384 N C -0.743 174.757 175.510 -0.017 0.000 1.317 384 N CA -0.220 52.829 53.050 -0.001 0.000 1.151 384 N CB -0.265 38.205 38.487 -0.027 0.000 1.456 384 N HN 0.082 nan 8.380 nan 0.000 0.547 385 L N 0.924 122.133 121.223 -0.023 0.000 2.628 385 L HA -0.135 4.205 4.340 -0.000 0.000 0.292 385 L C 0.220 177.077 176.870 -0.022 0.000 1.250 385 L CA 0.553 55.373 54.840 -0.032 0.000 0.892 385 L CB 0.349 42.387 42.059 -0.035 0.000 1.138 385 L HN 0.273 nan 8.230 nan 0.000 0.502 386 K N 5.558 125.942 120.400 -0.027 0.000 2.021 386 K HA 0.137 4.457 4.320 -0.000 0.000 0.238 386 K C 0.621 177.216 176.600 -0.008 0.000 1.149 386 K CA 0.564 56.838 56.287 -0.021 0.000 1.105 386 K CB -0.068 32.410 32.500 -0.037 0.000 1.246 386 K HN 0.770 nan 8.250 nan 0.000 0.307 387 A N 1.779 124.595 122.820 -0.006 0.000 2.259 387 A HA 0.261 4.581 4.320 -0.000 0.000 0.213 387 A C 0.865 178.447 177.584 -0.003 0.000 1.209 387 A CA -0.057 51.978 52.037 -0.002 0.000 0.910 387 A CB 0.453 19.452 19.000 -0.002 0.000 0.946 387 A HN 0.580 nan 8.150 nan 0.000 0.497 388 A N 1.372 124.190 122.820 -0.004 0.000 2.483 388 A HA 0.512 4.832 4.320 -0.000 0.000 0.238 388 A C -2.384 175.198 177.584 -0.002 0.000 1.070 388 A CA -0.883 51.152 52.037 -0.003 0.000 0.770 388 A CB -0.621 18.377 19.000 -0.003 0.000 1.008 388 A HN 0.215 nan 8.150 nan 0.000 0.497 389 P HA 0.240 nan 4.420 nan 0.000 0.264 389 P C 1.010 178.310 177.300 0.000 0.000 1.183 389 P CA 1.818 64.916 63.100 -0.003 0.000 0.763 389 P CB 0.509 32.208 31.700 -0.002 0.000 0.807 390 G N 2.499 111.295 108.800 -0.007 0.000 2.184 390 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.264 390 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.264 390 G C 1.117 176.015 174.900 -0.004 0.000 0.975 390 G CA 0.569 45.663 45.100 -0.010 0.000 0.642 390 G HN 0.617 nan 8.290 nan 0.000 0.536 391 S N -0.538 115.160 115.700 -0.003 0.000 2.515 391 S HA 0.271 4.741 4.470 -0.000 0.000 0.231 391 S C 1.470 176.057 174.600 -0.020 0.000 0.987 391 S CA 1.171 59.369 58.200 -0.002 0.000 0.936 391 S CB -0.305 62.892 63.200 -0.004 0.000 0.766 391 S HN 1.252 nan 8.310 nan 0.000 0.528 392 M N 0.164 119.744 119.600 -0.033 0.000 2.249 392 M HA -0.171 4.309 4.480 -0.000 0.000 0.198 392 M C 0.689 176.948 176.300 -0.068 0.000 0.394 392 M CA 0.284 55.547 55.300 -0.062 0.000 0.427 392 M CB -1.498 31.049 32.600 -0.088 0.000 1.307 392 M HN 0.552 nan 8.290 nan 0.000 0.924 393 I N 1.419 121.973 120.570 -0.027 0.000 2.335 393 I HA -0.291 3.879 4.170 -0.000 0.000 0.251 393 I C 2.134 178.299 176.117 0.080 0.000 1.129 393 I CA 2.467 63.773 61.300 0.010 0.000 1.402 393 I CB -0.040 37.996 38.000 0.060 0.000 1.069 393 I HN 0.630 nan 8.210 nan 0.000 0.424 394 D N 0.472 120.884 120.400 0.020 0.000 2.350 394 D HA -0.216 4.424 4.640 -0.000 0.000 0.216 394 D C 1.920 178.156 176.300 -0.106 0.000 0.968 394 D CA 0.730 54.729 54.000 -0.002 0.000 0.894 394 D CB -0.255 40.519 40.800 -0.043 0.000 0.909 394 D HN 0.420 nan 8.370 nan 0.000 0.520 395 L N -0.451 120.643 121.223 -0.215 0.000 2.554 395 L HA 0.153 4.493 4.340 -0.000 0.000 0.225 395 L C 1.865 178.572 176.870 -0.271 0.000 1.104 395 L CA 0.263 54.793 54.840 -0.517 0.000 0.866 395 L CB -0.095 41.505 42.059 -0.766 0.000 1.047 395 L HN -0.207 nan 8.230 nan 0.000 0.468 396 M N 0.145 119.741 119.600 -0.007 0.000 2.700 396 M HA -0.108 4.372 4.480 -0.000 0.000 0.249 396 M C 1.834 178.258 176.300 0.207 0.000 1.082 396 M CA 0.843 56.188 55.300 0.076 0.000 1.077 396 M CB -0.979 31.420 32.600 -0.335 0.000 1.477 396 M HN 0.394 nan 8.290 nan 0.000 0.529 397 K N 0.381 120.959 120.400 0.298 0.000 2.360 397 K HA -0.169 4.151 4.320 -0.000 0.000 0.201 397 K C 1.548 178.269 176.600 0.202 0.000 1.046 397 K CA 1.286 57.723 56.287 0.250 0.000 0.940 397 K CB -0.967 31.608 32.500 0.125 0.000 0.748 397 K HN 0.473 nan 8.250 nan 0.000 0.465 398 F N 0.384 120.301 119.950 -0.055 0.000 2.797 398 F HA 0.207 4.734 4.527 -0.000 0.000 0.302 398 F C 0.872 176.666 175.800 -0.010 0.000 1.130 398 F CA -0.420 57.571 58.000 -0.015 0.000 1.387 398 F CB 0.109 39.082 39.000 -0.044 0.000 1.107 398 F HN -0.134 nan 8.300 nan 0.000 0.577 399 D N 1.827 122.083 120.400 -0.240 0.000 2.378 399 D HA -0.052 4.588 4.640 -0.000 0.000 0.227 399 D C 1.354 177.499 176.300 -0.257 0.000 1.012 399 D CA 0.799 54.560 54.000 -0.398 0.000 0.905 399 D CB -0.007 40.683 40.800 -0.183 0.000 0.895 399 D HN 0.500 nan 8.370 nan 0.000 0.532 400 M N -2.381 117.115 119.600 -0.173 0.000 2.475 400 M HA 0.391 4.871 4.480 -0.000 0.000 0.283 400 M C 1.437 177.666 176.300 -0.118 0.000 1.165 400 M CA -0.226 55.002 55.300 -0.119 0.000 0.976 400 M CB 0.270 32.828 32.600 -0.069 0.000 1.428 400 M HN -0.329 nan 8.290 nan 0.000 0.495 401 S N 1.669 117.265 115.700 -0.172 0.000 2.370 401 S HA -0.086 4.384 4.470 -0.000 0.000 0.226 401 S C 2.056 176.615 174.600 -0.067 0.000 1.033 401 S CA 1.920 60.056 58.200 -0.108 0.000 1.011 401 S CB -0.959 62.158 63.200 -0.138 0.000 0.852 401 S HN 0.778 nan 8.310 nan 0.000 0.457 402 G N 0.299 109.049 108.800 -0.084 0.000 2.446 402 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 402 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 402 G C 1.776 176.666 174.900 -0.018 0.000 1.168 402 G CA 1.133 46.214 45.100 -0.031 0.000 0.771 402 G HN 0.605 nan 8.290 nan 0.000 0.551 403 C N 1.049 120.321 119.300 -0.046 0.000 2.413 403 C HA 0.111 4.571 4.460 -0.000 0.000 0.276 403 C C 3.439 178.420 174.990 -0.014 0.000 1.248 403 C CA 1.765 60.761 59.018 -0.037 0.000 1.742 403 C CB -1.131 26.568 27.740 -0.068 0.000 2.017 403 C HN 0.558 nan 8.230 nan 0.000 0.481 404 A N 0.454 123.249 122.820 -0.041 0.000 1.877 404 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 404 A C 2.532 180.109 177.584 -0.013 0.000 1.186 404 A CA 2.404 54.406 52.037 -0.058 0.000 0.620 404 A CB -1.293 17.647 19.000 -0.101 0.000 0.822 404 A HN 0.917 nan 8.150 nan 0.000 0.443 405 A N -0.566 122.255 122.820 0.002 0.000 1.883 405 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 405 A C 2.260 179.881 177.584 0.061 0.000 1.186 405 A CA 2.004 54.054 52.037 0.022 0.000 0.624 405 A CB -1.067 17.959 19.000 0.043 0.000 0.822 405 A HN 0.428 nan 8.150 nan 0.000 0.444 406 V N 0.053 120.023 119.914 0.093 0.000 2.295 406 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 406 V C 2.583 178.776 176.094 0.166 0.000 1.049 406 V CA 2.010 64.424 62.300 0.191 0.000 1.024 406 V CB -0.728 31.213 31.823 0.197 0.000 0.648 406 V HN 0.572 nan 8.190 nan 0.000 0.447 407 L N 0.191 121.474 121.223 0.100 0.000 2.046 407 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 407 L C 2.662 179.587 176.870 0.092 0.000 1.077 407 L CA 1.683 56.572 54.840 0.081 0.000 0.747 407 L CB -1.196 40.979 42.059 0.193 0.000 0.896 407 L HN 0.472 nan 8.230 nan 0.000 0.432 408 G N -0.840 108.046 108.800 0.143 0.000 2.440 408 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 408 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 408 G C 1.823 176.763 174.900 0.066 0.000 1.154 408 G CA 0.879 46.048 45.100 0.115 0.000 0.767 408 G HN 0.467 nan 8.290 nan 0.000 0.552 409 C N 0.989 120.316 119.300 0.046 0.000 2.413 409 C HA 0.141 4.601 4.460 -0.000 0.000 0.276 409 C C 3.457 178.439 174.990 -0.013 0.000 1.236 409 C CA 1.650 60.710 59.018 0.070 0.000 1.735 409 C CB -1.111 26.750 27.740 0.202 0.000 2.031 409 C HN 0.563 nan 8.230 nan 0.000 0.474 410 A N -1.007 121.617 122.820 -0.327 0.000 1.948 410 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 410 A C 2.040 179.401 177.584 -0.371 0.000 1.177 410 A CA 2.053 53.535 52.037 -0.925 0.000 0.636 410 A CB -1.221 16.980 19.000 -1.331 0.000 0.815 410 A HN 0.854 nan 8.150 nan 0.000 0.449 411 Y N 0.107 120.248 120.300 -0.266 0.000 2.145 411 Y HA -0.293 4.257 4.550 -0.000 0.000 0.286 411 Y C 2.575 178.441 175.900 -0.057 0.000 1.145 411 Y CA 1.653 59.660 58.100 -0.153 0.000 1.148 411 Y CB -0.866 37.510 38.460 -0.141 0.000 0.981 411 Y HN 0.373 nan 8.280 nan 0.000 0.507 412 C N -0.811 118.415 119.300 -0.123 0.000 2.436 412 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 412 C C 2.825 177.714 174.990 -0.168 0.000 1.241 412 C CA 1.175 60.127 59.018 -0.110 0.000 1.721 412 C CB -1.273 26.513 27.740 0.078 0.000 2.043 412 C HN 0.511 nan 8.230 nan 0.000 0.472 413 V N 1.350 121.177 119.914 -0.145 0.000 2.332 413 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 413 V C 2.652 178.488 176.094 -0.429 0.000 1.055 413 V CA 2.449 64.597 62.300 -0.252 0.000 1.038 413 V CB -1.500 30.250 31.823 -0.121 0.000 0.651 413 V HN 0.687 nan 8.190 nan 0.000 0.450 414 G N -0.952 107.652 108.800 -0.327 0.000 2.448 414 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 414 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 414 G C 1.656 176.444 174.900 -0.187 0.000 1.127 414 G CA 1.532 46.518 45.100 -0.189 0.000 0.766 414 G HN 0.501 nan 8.290 nan 0.000 0.552 415 T N 0.844 115.200 114.554 -0.330 0.000 2.901 415 T HA 0.114 4.464 4.350 -0.000 0.000 0.252 415 T C 2.318 176.926 174.700 -0.153 0.000 1.035 415 T CA 0.342 62.267 62.100 -0.292 0.000 1.142 415 T CB -0.102 68.449 68.868 -0.527 0.000 0.869 415 T HN 0.122 nan 8.240 nan 0.000 0.442 416 L N 0.403 121.540 121.223 -0.143 0.000 2.395 416 L HA 0.172 4.512 4.340 -0.000 0.000 0.218 416 L C 0.428 177.264 176.870 -0.056 0.000 1.130 416 L CA 0.373 55.171 54.840 -0.071 0.000 0.826 416 L CB -0.455 41.586 42.059 -0.031 0.000 0.941 416 L HN 0.245 nan 8.230 nan 0.000 0.451 417 K N 0.165 120.505 120.400 -0.100 0.000 3.689 417 K HA -0.148 4.172 4.320 -0.000 0.000 0.276 417 K C -2.188 174.462 176.600 0.082 0.000 0.932 417 K CA -0.291 56.013 56.287 0.029 0.000 0.758 417 K CB -1.359 31.221 32.500 0.133 0.000 1.500 417 K HN 0.255 nan 8.250 nan 0.000 0.448 418 P HA 0.024 nan 4.420 nan 0.000 0.272 418 P C -0.220 177.184 177.300 0.173 0.000 1.230 418 P CA 0.191 63.322 63.100 0.053 0.000 0.788 418 P CB 0.712 32.406 31.700 -0.011 0.000 0.949 419 E N 0.543 120.806 120.200 0.105 0.000 2.232 419 E HA 0.215 4.565 4.350 -0.000 0.000 0.265 419 E C 0.216 176.862 176.600 0.077 0.000 1.001 419 E CA -0.695 55.763 56.400 0.096 0.000 0.870 419 E CB 0.368 30.099 29.700 0.053 0.000 1.175 419 E HN 0.345 nan 8.360 nan 0.000 0.407 420 N N -1.052 117.682 118.700 0.056 0.000 2.753 420 N HA -0.163 4.577 4.740 -0.000 0.000 0.251 420 N C -0.763 174.772 175.510 0.042 0.000 1.097 420 N CA 1.218 54.288 53.050 0.034 0.000 0.786 420 N CB -1.824 36.675 38.487 0.020 0.000 1.137 420 N HN 0.286 nan 8.380 nan 0.000 0.566 421 V N -2.700 117.264 119.914 0.082 0.000 2.735 421 V HA 0.702 4.822 4.120 -0.000 0.000 0.310 421 V C 0.109 176.265 176.094 0.104 0.000 1.061 421 V CA -0.930 61.426 62.300 0.092 0.000 0.913 421 V CB 2.916 34.801 31.823 0.104 0.000 1.005 421 V HN 0.147 nan 8.190 nan 0.000 0.428 422 E N 2.906 123.141 120.200 0.059 0.000 2.155 422 E HA 0.687 5.037 4.350 -0.000 0.000 0.264 422 E C -1.568 175.018 176.600 -0.024 0.000 0.886 422 E CA -0.738 55.666 56.400 0.006 0.000 0.752 422 E CB 1.702 31.396 29.700 -0.010 0.000 1.133 422 E HN 0.801 nan 8.360 nan 0.000 0.414 423 I N 4.151 124.683 120.570 -0.063 0.000 2.433 423 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 423 I C -0.385 175.450 176.117 -0.470 0.000 1.001 423 I CA -0.733 60.417 61.300 -0.248 0.000 1.119 423 I CB 1.525 39.323 38.000 -0.336 0.000 1.289 423 I HN 0.460 nan 8.210 nan 0.000 0.438 424 H N 6.320 125.259 119.070 -0.218 0.000 2.504 424 H HA 0.392 4.948 4.556 -0.000 0.000 0.322 424 H C -1.225 173.958 175.328 -0.243 0.000 1.055 424 H CA -0.445 55.574 56.048 -0.048 0.000 1.231 424 H CB 1.228 31.030 29.762 0.066 0.000 1.417 424 H HN 0.340 nan 8.280 nan 0.000 0.472 425 F N 3.882 123.999 119.950 0.277 0.000 2.388 425 F HA 0.350 4.877 4.527 -0.000 0.000 0.358 425 F C 0.076 175.956 175.800 0.134 0.000 1.122 425 F CA -0.577 57.532 58.000 0.182 0.000 1.056 425 F CB 0.985 40.086 39.000 0.168 0.000 1.155 425 F HN 0.171 nan 8.300 nan 0.000 0.461 426 L N 2.612 123.937 121.223 0.170 0.000 2.381 426 L HA 0.735 5.075 4.340 -0.000 0.000 0.268 426 L C -0.334 176.405 176.870 -0.219 0.000 0.997 426 L CA -0.741 54.075 54.840 -0.040 0.000 0.818 426 L CB 2.287 44.339 42.059 -0.012 0.000 1.310 426 L HN 0.545 nan 8.230 nan 0.000 0.416 427 S N 1.413 116.788 115.700 -0.542 0.000 2.626 427 S HA 0.653 5.123 4.470 -0.000 0.000 0.275 427 S C -0.840 173.171 174.600 -0.983 0.000 1.175 427 S CA -0.447 57.408 58.200 -0.575 0.000 0.982 427 S CB 1.609 64.650 63.200 -0.265 0.000 1.093 427 S HN 0.705 nan 8.310 nan 0.000 0.472 428 A N 4.625 126.826 122.820 -1.032 0.000 2.539 428 A HA 0.579 4.899 4.320 -0.000 0.000 0.306 428 A C -0.116 177.156 177.584 -0.520 0.000 1.392 428 A CA -0.300 51.034 52.037 -1.171 0.000 1.060 428 A CB -0.345 17.775 19.000 -1.468 0.000 1.134 428 A HN 0.790 nan 8.150 nan 0.000 0.542 429 V N 2.664 122.497 119.914 -0.136 0.000 2.465 429 V HA 0.532 4.652 4.120 -0.000 0.000 0.279 429 V C 0.521 176.769 176.094 0.256 0.000 1.045 429 V CA -0.175 62.150 62.300 0.042 0.000 0.938 429 V CB 0.130 31.957 31.823 0.008 0.000 0.986 429 V HN 1.240 nan 8.190 nan 0.000 0.467 430 C N 2.166 121.575 119.300 0.182 0.000 3.272 430 C HA 0.775 5.235 4.460 -0.000 0.000 0.363 430 C C -0.935 174.123 174.990 0.112 0.000 1.514 430 C CA -0.907 58.208 59.018 0.161 0.000 1.185 430 C CB 1.618 29.462 27.740 0.173 0.000 1.716 430 C HN 0.879 nan 8.230 nan 0.000 0.440 431 E N 0.768 121.042 120.200 0.124 0.000 2.234 431 E HA 0.427 4.776 4.350 -0.000 0.000 0.266 431 E C -1.457 175.216 176.600 0.121 0.000 0.877 431 E CA -0.291 56.198 56.400 0.149 0.000 0.758 431 E CB 1.432 31.278 29.700 0.244 0.000 1.170 431 E HN 0.633 nan 8.360 nan 0.000 0.415 432 N N 5.094 123.851 118.700 0.094 0.000 2.558 432 N HA 0.189 4.929 4.740 -0.000 0.000 0.233 432 N C -1.020 174.552 175.510 0.104 0.000 1.038 432 N CA -0.012 53.087 53.050 0.082 0.000 0.934 432 N CB 0.307 38.819 38.487 0.041 0.000 1.175 432 N HN 0.426 nan 8.380 nan 0.000 0.512 433 M N 1.333 121.004 119.600 0.118 0.000 2.796 433 M HA 0.478 4.958 4.480 -0.000 0.000 0.303 433 M C -0.561 175.749 176.300 0.016 0.000 1.240 433 M CA -1.075 54.285 55.300 0.101 0.000 0.831 433 M CB 1.487 34.153 32.600 0.109 0.000 1.750 433 M HN -0.072 nan 8.290 nan 0.000 0.484 434 V N 0.640 120.518 119.914 -0.059 0.000 2.384 434 V HA 0.673 4.793 4.120 -0.000 0.000 0.287 434 V C -0.126 175.881 176.094 -0.145 0.000 1.020 434 V CA -0.238 61.915 62.300 -0.245 0.000 0.850 434 V CB 1.299 32.907 31.823 -0.358 0.000 0.987 434 V HN 0.954 nan 8.190 nan 0.000 0.436 435 S N 3.219 118.868 115.700 -0.085 0.000 2.615 435 S HA 0.385 4.855 4.470 -0.000 0.000 0.269 435 S C 0.673 175.367 174.600 0.157 0.000 1.161 435 S CA -0.302 57.918 58.200 0.033 0.000 0.817 435 S CB 1.848 65.072 63.200 0.040 0.000 1.131 435 S HN 0.843 nan 8.310 nan 0.000 0.467 436 K N 1.286 121.758 120.400 0.121 0.000 2.360 436 K HA 0.026 4.346 4.320 -0.000 0.000 0.201 436 K C 0.823 177.494 176.600 0.118 0.000 1.046 436 K CA 1.882 58.246 56.287 0.129 0.000 0.945 436 K CB -0.536 32.006 32.500 0.070 0.000 0.750 436 K HN 0.528 nan 8.250 nan 0.000 0.464 437 N N 0.438 119.203 118.700 0.108 0.000 2.299 437 N HA 0.040 4.780 4.740 -0.000 0.000 0.187 437 N C -0.530 175.063 175.510 0.139 0.000 1.099 437 N CA -0.279 52.826 53.050 0.092 0.000 0.867 437 N CB 0.538 39.055 38.487 0.051 0.000 0.974 437 N HN 0.041 nan 8.380 nan 0.000 0.477 438 S N 1.000 116.831 115.700 0.219 0.000 2.576 438 S HA -0.030 4.440 4.470 -0.000 0.000 0.272 438 S C -0.139 174.673 174.600 0.352 0.000 1.352 438 S CA -0.421 57.965 58.200 0.309 0.000 1.021 438 S CB 0.098 63.523 63.200 0.374 0.000 0.887 438 S HN 0.288 nan 8.310 nan 0.000 0.542 439 Y N 0.561 120.927 120.300 0.111 0.000 2.314 439 Y HA 0.637 5.187 4.550 -0.000 0.000 0.334 439 Y C 0.150 176.107 175.900 0.095 0.000 1.266 439 Y CA -1.376 56.768 58.100 0.073 0.000 1.391 439 Y CB 0.185 38.674 38.460 0.048 0.000 1.306 439 Y HN 0.453 nan 8.280 nan 0.000 0.558 440 R N 1.975 122.418 120.500 -0.096 0.000 2.787 440 R HA 0.493 4.833 4.340 -0.000 0.000 0.271 440 R C -2.662 173.468 176.300 -0.283 0.000 0.993 440 R CA -2.241 53.718 56.100 -0.234 0.000 0.993 440 R CB 0.867 31.029 30.300 -0.230 0.000 1.155 440 R HN 0.462 nan 8.270 nan 0.000 0.486 441 P HA -0.031 nan 4.420 nan 0.000 0.265 441 P C 0.536 177.763 177.300 -0.122 0.000 1.193 441 P CA 0.884 63.876 63.100 -0.180 0.000 0.765 441 P CB 0.646 32.272 31.700 -0.124 0.000 0.823 442 G N 2.095 110.848 108.800 -0.078 0.000 2.258 442 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.233 442 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.233 442 G C -0.040 174.848 174.900 -0.021 0.000 1.006 442 G CA -0.205 44.869 45.100 -0.043 0.000 0.620 442 G HN 0.512 nan 8.290 nan 0.000 0.511 443 D N 0.643 121.030 120.400 -0.021 0.000 2.506 443 D HA 0.376 5.016 4.640 -0.000 0.000 0.234 443 D C 0.725 177.066 176.300 0.068 0.000 1.143 443 D CA 0.570 54.588 54.000 0.030 0.000 0.871 443 D CB 0.619 41.468 40.800 0.082 0.000 1.190 443 D HN 0.393 nan 8.370 nan 0.000 0.459 444 I N 3.281 123.892 120.570 0.068 0.000 2.362 444 I HA 0.319 4.489 4.170 -0.000 0.000 0.289 444 I C 0.197 176.373 176.117 0.099 0.000 0.994 444 I CA -0.664 60.691 61.300 0.091 0.000 1.158 444 I CB 0.790 38.838 38.000 0.081 0.000 1.315 444 I HN 0.209 nan 8.210 nan 0.000 0.451 445 I N 1.959 122.602 120.570 0.123 0.000 2.957 445 I HA 0.659 4.829 4.170 -0.000 0.000 0.310 445 I C -0.806 175.385 176.117 0.122 0.000 1.063 445 I CA -0.509 60.859 61.300 0.114 0.000 1.033 445 I CB 2.466 40.540 38.000 0.123 0.000 1.230 445 I HN 0.273 nan 8.210 nan 0.000 0.447 446 T N 3.187 117.803 114.554 0.103 0.000 2.791 446 T HA 0.656 5.006 4.350 -0.000 0.000 0.288 446 T C 0.158 174.929 174.700 0.118 0.000 0.999 446 T CA -0.417 61.749 62.100 0.110 0.000 0.952 446 T CB 1.346 70.262 68.868 0.081 0.000 0.938 446 T HN 0.843 nan 8.240 nan 0.000 0.444 447 A N 2.306 125.226 122.820 0.166 0.000 2.346 447 A HA 0.452 4.772 4.320 -0.000 0.000 0.252 447 A C 1.665 179.335 177.584 0.144 0.000 1.089 447 A CA -0.206 51.934 52.037 0.172 0.000 0.797 447 A CB 0.020 19.207 19.000 0.312 0.000 1.047 447 A HN 0.960 nan 8.150 nan 0.000 0.494 448 S N 0.424 116.200 115.700 0.126 0.000 2.500 448 S HA -0.163 4.307 4.470 -0.000 0.000 0.239 448 S C 0.929 175.583 174.600 0.090 0.000 0.989 448 S CA 1.153 59.412 58.200 0.099 0.000 0.951 448 S CB -0.538 62.719 63.200 0.095 0.000 0.759 448 S HN 0.901 nan 8.310 nan 0.000 0.523 449 N N 0.937 119.710 118.700 0.122 0.000 2.314 449 N HA 0.259 4.999 4.740 -0.000 0.000 0.200 449 N C 1.185 176.721 175.510 0.042 0.000 1.135 449 N CA 0.508 53.600 53.050 0.070 0.000 0.835 449 N CB -0.317 38.209 38.487 0.065 0.000 0.989 449 N HN 0.513 nan 8.380 nan 0.000 0.478 450 G N 0.043 108.882 108.800 0.064 0.000 2.225 450 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.254 450 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.254 450 G C -0.133 174.797 174.900 0.049 0.000 0.988 450 G CA 0.152 45.279 45.100 0.046 0.000 0.625 450 G HN 0.463 nan 8.290 nan 0.000 0.527 451 K N 2.312 122.746 120.400 0.056 0.000 2.412 451 K HA 0.392 4.712 4.320 -0.000 0.000 0.281 451 K C 0.827 177.502 176.600 0.124 0.000 1.027 451 K CA 0.767 57.081 56.287 0.046 0.000 0.989 451 K CB 0.436 32.906 32.500 -0.050 0.000 0.935 451 K HN 0.417 nan 8.250 nan 0.000 0.475 452 T N 0.824 115.438 114.554 0.101 0.000 2.806 452 T HA 0.492 4.842 4.350 -0.000 0.000 0.290 452 T C 0.207 175.008 174.700 0.168 0.000 0.966 452 T CA -0.770 61.406 62.100 0.127 0.000 1.060 452 T CB 0.430 69.357 68.868 0.099 0.000 0.927 452 T HN 0.320 nan 8.240 nan 0.000 0.485 453 I N 2.081 122.773 120.570 0.205 0.000 2.406 453 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 453 I C 0.225 176.457 176.117 0.192 0.000 0.999 453 I CA -0.859 60.596 61.300 0.259 0.000 1.124 453 I CB 2.048 40.261 38.000 0.354 0.000 1.289 453 I HN 0.731 nan 8.210 nan 0.000 0.441 454 E N 5.739 126.043 120.200 0.173 0.000 2.194 454 E HA 0.305 4.655 4.350 -0.000 0.000 0.284 454 E C -1.099 175.559 176.600 0.098 0.000 1.035 454 E CA -0.618 55.859 56.400 0.128 0.000 0.836 454 E CB 1.206 30.981 29.700 0.126 0.000 1.070 454 E HN 0.376 nan 8.360 nan 0.000 0.401 455 V N 5.425 125.385 119.914 0.077 0.000 2.415 455 V HA 0.126 4.246 4.120 -0.000 0.000 0.267 455 V C 1.218 177.301 176.094 -0.017 0.000 1.042 455 V CA 0.645 62.966 62.300 0.034 0.000 1.000 455 V CB 0.983 32.824 31.823 0.030 0.000 1.015 455 V HN 0.956 nan 8.190 nan 0.000 0.478 456 G N 3.928 112.713 108.800 -0.025 0.000 2.603 456 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.214 456 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.214 456 G C 0.598 175.462 174.900 -0.059 0.000 1.140 456 G CA 0.152 45.232 45.100 -0.033 0.000 0.800 456 G HN 0.604 nan 8.290 nan 0.000 0.533 457 N N -0.373 118.279 118.700 -0.080 0.000 2.648 457 N HA 0.025 4.765 4.740 -0.000 0.000 0.272 457 N C 1.026 176.472 175.510 -0.107 0.000 1.118 457 N CA 0.364 53.362 53.050 -0.087 0.000 0.973 457 N CB 1.128 39.580 38.487 -0.058 0.000 1.565 457 N HN -0.018 nan 8.380 nan 0.000 0.542 458 T N -0.811 113.633 114.554 -0.184 0.000 3.025 458 T HA -0.099 4.251 4.350 -0.000 0.000 0.270 458 T C 0.984 175.692 174.700 0.014 0.000 1.126 458 T CA 1.087 63.042 62.100 -0.242 0.000 1.105 458 T CB 0.077 68.692 68.868 -0.421 0.000 0.884 458 T HN 0.337 nan 8.240 nan 0.000 0.522 459 D N 1.631 122.022 120.400 -0.015 0.000 2.347 459 D HA 0.220 4.860 4.640 -0.000 0.000 0.213 459 D C 1.180 177.479 176.300 -0.001 0.000 0.985 459 D CA 0.256 54.254 54.000 -0.002 0.000 0.879 459 D CB -0.281 40.507 40.800 -0.021 0.000 0.919 459 D HN 0.563 nan 8.370 nan 0.000 0.526 460 A N 1.104 123.919 122.820 -0.009 0.000 3.260 460 A HA 0.134 4.454 4.320 -0.000 0.000 0.268 460 A C 1.393 178.964 177.584 -0.023 0.000 1.491 460 A CA -0.325 51.689 52.037 -0.040 0.000 1.181 460 A CB -0.262 18.684 19.000 -0.089 0.000 1.137 460 A HN 0.152 nan 8.150 nan 0.000 0.642 461 E N 0.336 120.554 120.200 0.030 0.000 2.250 461 E HA -0.034 4.316 4.350 -0.000 0.000 0.192 461 E C 1.529 178.125 176.600 -0.007 0.000 0.986 461 E CA 1.170 57.604 56.400 0.057 0.000 0.849 461 E CB -0.897 28.863 29.700 0.099 0.000 0.797 461 E HN 0.374 nan 8.360 nan 0.000 0.482 462 G N 3.111 111.897 108.800 -0.023 0.000 2.514 462 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.217 462 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.217 462 G C 1.869 176.748 174.900 -0.034 0.000 1.198 462 G CA 1.906 46.989 45.100 -0.029 0.000 0.780 462 G HN 0.490 nan 8.290 nan 0.000 0.565 463 R N 0.391 120.855 120.500 -0.059 0.000 2.152 463 R HA 0.106 4.446 4.340 -0.000 0.000 0.232 463 R C 2.364 178.662 176.300 -0.004 0.000 1.117 463 R CA 1.188 57.263 56.100 -0.041 0.000 0.981 463 R CB -0.593 29.616 30.300 -0.152 0.000 0.870 463 R HN 0.418 nan 8.270 nan 0.000 0.451 464 L N 1.614 122.797 121.223 -0.067 0.000 2.027 464 L HA -0.114 4.226 4.340 -0.000 0.000 0.206 464 L C 2.876 179.733 176.870 -0.023 0.000 1.074 464 L CA 1.974 56.800 54.840 -0.022 0.000 0.745 464 L CB -0.896 41.155 42.059 -0.014 0.000 0.898 464 L HN 0.447 nan 8.230 nan 0.000 0.433 465 T N -1.898 112.648 114.554 -0.014 0.000 2.821 465 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 465 T C 1.876 176.503 174.700 -0.122 0.000 1.046 465 T CA 0.869 62.950 62.100 -0.031 0.000 1.139 465 T CB -0.497 68.347 68.868 -0.041 0.000 0.871 465 T HN 0.189 nan 8.240 nan 0.000 0.454 466 L N 0.959 122.129 121.223 -0.090 0.000 2.141 466 L HA 0.106 4.446 4.340 -0.000 0.000 0.209 466 L C 3.339 180.137 176.870 -0.121 0.000 1.094 466 L CA 0.937 55.732 54.840 -0.075 0.000 0.763 466 L CB -0.793 41.262 42.059 -0.007 0.000 0.908 466 L HN 0.383 nan 8.230 nan 0.000 0.437 467 A N 0.106 122.777 122.820 -0.248 0.000 1.873 467 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 467 A C 1.993 179.371 177.584 -0.343 0.000 1.193 467 A CA 2.243 53.884 52.037 -0.661 0.000 0.629 467 A CB -0.593 17.587 19.000 -1.366 0.000 0.826 467 A HN 0.355 nan 8.150 nan 0.000 0.447 468 D N -0.413 119.888 120.400 -0.164 0.000 2.178 468 D HA 0.022 4.661 4.640 -0.000 0.000 0.202 468 D C 2.183 178.543 176.300 0.099 0.000 0.974 468 D CA 1.292 55.299 54.000 0.012 0.000 0.841 468 D CB -0.272 40.594 40.800 0.111 0.000 0.953 468 D HN 0.436 nan 8.370 nan 0.000 0.478 469 A N 0.467 123.330 122.820 0.072 0.000 1.968 469 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 469 A C 2.348 180.044 177.584 0.188 0.000 1.169 469 A CA 0.634 52.787 52.037 0.192 0.000 0.638 469 A CB -0.527 18.465 19.000 -0.014 0.000 0.812 469 A HN 0.179 nan 8.150 nan 0.000 0.446 470 L N -0.546 120.726 121.223 0.081 0.000 2.072 470 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 470 L C 2.641 179.560 176.870 0.082 0.000 1.079 470 L CA 1.279 56.157 54.840 0.064 0.000 0.752 470 L CB -0.469 41.568 42.059 -0.038 0.000 0.906 470 L HN 0.388 nan 8.230 nan 0.000 0.436 471 V N -1.464 118.510 119.914 0.101 0.000 2.427 471 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 471 V C 2.273 178.417 176.094 0.084 0.000 1.051 471 V CA 1.499 63.855 62.300 0.094 0.000 1.048 471 V CB -0.553 31.343 31.823 0.121 0.000 0.666 471 V HN 0.459 nan 8.190 nan 0.000 0.456 472 Y N 1.570 121.867 120.300 -0.005 0.000 2.114 472 Y HA -0.130 4.420 4.550 -0.000 0.000 0.284 472 Y C 2.576 178.454 175.900 -0.037 0.000 1.143 472 Y CA 2.615 60.688 58.100 -0.046 0.000 1.135 472 Y CB -0.755 37.651 38.460 -0.090 0.000 0.980 472 Y HN 0.339 nan 8.280 nan 0.000 0.499 473 A N 0.051 122.995 122.820 0.207 0.000 1.883 473 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 473 A C 2.185 179.756 177.584 -0.021 0.000 1.186 473 A CA 2.108 54.203 52.037 0.096 0.000 0.624 473 A CB -0.998 18.091 19.000 0.148 0.000 0.822 473 A HN 0.661 nan 8.150 nan 0.000 0.444 474 E N -0.240 119.957 120.200 -0.004 0.000 2.150 474 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 474 E C 1.868 178.423 176.600 -0.076 0.000 0.985 474 E CA 1.206 57.591 56.400 -0.025 0.000 0.814 474 E CB -0.100 29.591 29.700 -0.014 0.000 0.752 474 E HN 0.603 nan 8.360 nan 0.000 0.466 475 K N 0.112 120.440 120.400 -0.121 0.000 2.280 475 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 475 K C 1.873 178.354 176.600 -0.198 0.000 1.047 475 K CA 0.745 56.933 56.287 -0.165 0.000 0.942 475 K CB -0.010 32.358 32.500 -0.220 0.000 0.739 475 K HN 0.272 nan 8.250 nan 0.000 0.457 476 L N -0.149 120.932 121.223 -0.236 0.000 2.465 476 L HA 0.009 4.349 4.340 -0.000 0.000 0.224 476 L C 0.936 177.722 176.870 -0.141 0.000 1.145 476 L CA 0.455 55.146 54.840 -0.248 0.000 0.834 476 L CB -0.535 41.284 42.059 -0.399 0.000 0.944 476 L HN 0.354 nan 8.230 nan 0.000 0.451 477 G N 1.459 110.202 108.800 -0.095 0.000 2.324 477 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.292 477 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.292 477 G C 0.080 174.960 174.900 -0.032 0.000 1.079 477 G CA 0.263 45.331 45.100 -0.054 0.000 1.026 477 G HN 0.249 nan 8.290 nan 0.000 0.506 478 V N -3.082 116.819 119.914 -0.022 0.000 2.997 478 V HA 0.699 4.819 4.120 -0.000 0.000 0.311 478 V C 1.083 177.150 176.094 -0.045 0.000 1.066 478 V CA 0.100 62.403 62.300 0.004 0.000 1.039 478 V CB 1.633 33.494 31.823 0.063 0.000 1.081 478 V HN 0.103 nan 8.190 nan 0.000 0.467 479 D N -0.304 120.018 120.400 -0.128 0.000 2.183 479 D HA 0.078 4.718 4.640 -0.000 0.000 0.205 479 D C -0.325 175.731 176.300 -0.407 0.000 0.962 479 D CA 1.823 55.608 54.000 -0.358 0.000 0.849 479 D CB 0.127 40.563 40.800 -0.607 0.000 0.978 479 D HN 0.649 nan 8.370 nan 0.000 0.488 480 Y N -0.203 120.178 120.300 0.135 0.000 2.442 480 Y HA 0.472 5.022 4.550 -0.000 0.000 0.344 480 Y C -0.040 175.967 175.900 0.179 0.000 0.976 480 Y CA -0.970 57.236 58.100 0.176 0.000 1.040 480 Y CB 1.740 40.362 38.460 0.271 0.000 1.228 480 Y HN -0.290 nan 8.280 nan 0.000 0.451 481 I N 3.853 124.646 120.570 0.372 0.000 2.382 481 I HA 0.489 4.659 4.170 -0.000 0.000 0.286 481 I C -1.036 175.243 176.117 0.271 0.000 1.002 481 I CA -0.966 60.529 61.300 0.325 0.000 1.135 481 I CB 1.419 39.638 38.000 0.366 0.000 1.288 481 I HN 0.231 nan 8.210 nan 0.000 0.448 482 V N 4.945 124.949 119.914 0.150 0.000 2.378 482 V HA 0.249 4.369 4.120 -0.000 0.000 0.288 482 V C -0.497 175.648 176.094 0.085 0.000 1.016 482 V CA -0.635 61.660 62.300 -0.009 0.000 0.840 482 V CB 1.671 33.355 31.823 -0.233 0.000 0.994 482 V HN 0.838 nan 8.190 nan 0.000 0.431 483 D N 4.180 124.671 120.400 0.152 0.000 2.181 483 D HA 0.662 5.302 4.640 -0.000 0.000 0.248 483 D C -0.530 175.851 176.300 0.135 0.000 1.020 483 D CA -0.522 53.599 54.000 0.201 0.000 0.891 483 D CB 2.384 43.393 40.800 0.348 0.000 1.187 483 D HN 0.511 nan 8.370 nan 0.000 0.443 484 I N 0.773 121.407 120.570 0.107 0.000 2.569 484 I HA 0.708 4.878 4.170 -0.000 0.000 0.290 484 I C -1.751 174.405 176.117 0.064 0.000 1.088 484 I CA -0.600 60.736 61.300 0.060 0.000 1.047 484 I CB 1.396 39.423 38.000 0.045 0.000 1.237 484 I HN 0.787 nan 8.210 nan 0.000 0.421 485 A N 3.385 126.236 122.820 0.051 0.000 2.589 485 A HA 0.571 4.891 4.320 -0.000 0.000 0.296 485 A C -0.493 177.083 177.584 -0.013 0.000 1.062 485 A CA -0.446 51.612 52.037 0.036 0.000 0.686 485 A CB 1.379 20.457 19.000 0.130 0.000 1.282 485 A HN 0.682 nan 8.150 nan 0.000 0.404 486 T N 1.076 115.563 114.554 -0.113 0.000 3.781 486 T HA 0.335 4.685 4.350 -0.000 0.000 0.286 486 T C 0.675 175.345 174.700 -0.050 0.000 1.277 486 T CA -0.053 61.950 62.100 -0.162 0.000 1.136 486 T CB -0.258 68.269 68.868 -0.569 0.000 1.202 486 T HN 0.554 nan 8.240 nan 0.000 0.884 487 L N 2.867 124.122 121.223 0.053 0.000 2.221 487 L HA 0.317 4.657 4.340 -0.000 0.000 0.202 487 L C 1.080 178.001 176.870 0.084 0.000 1.074 487 L CA 1.142 56.035 54.840 0.089 0.000 0.795 487 L CB 0.143 42.325 42.059 0.205 0.000 0.960 487 L HN 0.832 nan 8.230 nan 0.000 0.458 488 T N -4.379 110.243 114.554 0.114 0.000 2.928 488 T HA 0.491 4.841 4.350 -0.000 0.000 0.296 488 T C 0.871 175.659 174.700 0.147 0.000 1.000 488 T CA -0.305 61.864 62.100 0.116 0.000 0.989 488 T CB 1.283 70.219 68.868 0.112 0.000 1.005 488 T HN 0.118 nan 8.240 nan 0.000 0.442 489 G N 1.483 110.371 108.800 0.147 0.000 2.448 489 G HA2 0.021 3.981 3.960 -0.000 0.000 0.219 489 G HA3 0.021 3.981 3.960 -0.000 0.000 0.219 489 G C 1.615 176.654 174.900 0.232 0.000 1.127 489 G CA 0.593 45.797 45.100 0.174 0.000 0.766 489 G HN 1.168 nan 8.290 nan 0.000 0.552 490 A N 0.607 123.572 122.820 0.240 0.000 2.084 490 A HA -0.084 4.236 4.320 -0.000 0.000 0.221 490 A C 2.347 180.095 177.584 0.274 0.000 1.161 490 A CA 1.794 54.016 52.037 0.307 0.000 0.653 490 A CB -0.321 18.786 19.000 0.178 0.000 0.802 490 A HN 0.312 nan 8.150 nan 0.000 0.457 491 M N -0.551 119.170 119.600 0.201 0.000 2.149 491 M HA -0.104 4.376 4.480 -0.000 0.000 0.261 491 M C 2.022 178.377 176.300 0.092 0.000 1.064 491 M CA 1.197 56.595 55.300 0.164 0.000 1.102 491 M CB -1.378 31.313 32.600 0.152 0.000 1.369 491 M HN 0.448 nan 8.290 nan 0.000 0.408 492 L N -1.845 119.390 121.223 0.019 0.000 2.131 492 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 492 L C 2.079 178.784 176.870 -0.276 0.000 1.092 492 L CA 1.281 56.014 54.840 -0.179 0.000 0.759 492 L CB -0.642 41.198 42.059 -0.364 0.000 0.903 492 L HN 0.250 nan 8.230 nan 0.000 0.435 493 Y N -1.188 119.122 120.300 0.018 0.000 2.448 493 Y HA -0.090 4.460 4.550 -0.000 0.000 0.289 493 Y C 2.816 178.719 175.900 0.005 0.000 1.114 493 Y CA 0.779 58.881 58.100 0.003 0.000 1.235 493 Y CB -0.011 38.452 38.460 0.006 0.000 1.045 493 Y HN 0.213 nan 8.280 nan 0.000 0.554 494 S N -0.347 115.445 115.700 0.153 0.000 2.339 494 S HA 0.008 4.478 4.470 -0.000 0.000 0.213 494 S C 1.569 176.178 174.600 0.015 0.000 1.033 494 S CA 0.676 58.934 58.200 0.097 0.000 0.950 494 S CB -0.665 62.622 63.200 0.144 0.000 0.893 494 S HN 0.343 nan 8.310 nan 0.000 0.492 495 L N 1.098 122.335 121.223 0.023 0.000 2.556 495 L HA 0.401 4.741 4.340 -0.000 0.000 0.226 495 L C 1.569 178.419 176.870 -0.033 0.000 1.089 495 L CA 0.290 55.111 54.840 -0.031 0.000 0.864 495 L CB -0.495 41.594 42.059 0.050 0.000 1.067 495 L HN 0.737 nan 8.230 nan 0.000 0.477 496 G N 1.154 109.944 108.800 -0.016 0.000 2.512 496 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.240 496 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.240 496 G C 0.575 175.498 174.900 0.037 0.000 1.246 496 G CA 0.198 45.283 45.100 -0.025 0.000 0.919 496 G HN 0.212 nan 8.290 nan 0.000 0.577 497 T N -3.111 111.483 114.554 0.067 0.000 3.086 497 T HA 0.515 4.865 4.350 -0.000 0.000 0.250 497 T C 1.949 176.732 174.700 0.138 0.000 1.074 497 T CA 1.669 63.852 62.100 0.138 0.000 0.988 497 T CB 0.570 69.559 68.868 0.202 0.000 0.988 497 T HN 0.677 nan 8.240 nan 0.000 0.530 498 S N -0.479 115.322 115.700 0.170 0.000 2.545 498 S HA 0.362 4.832 4.470 -0.000 0.000 0.232 498 S C -0.387 174.418 174.600 0.342 0.000 1.070 498 S CA -0.405 57.955 58.200 0.266 0.000 0.923 498 S CB 0.087 63.486 63.200 0.332 0.000 0.806 498 S HN 0.621 nan 8.310 nan 0.000 0.506 499 Y N 1.324 121.647 120.300 0.039 0.000 2.335 499 Y HA 0.631 5.181 4.550 -0.000 0.000 0.338 499 Y C 0.317 176.219 175.900 0.004 0.000 0.977 499 Y CA -1.139 57.006 58.100 0.076 0.000 1.114 499 Y CB 1.121 39.637 38.460 0.093 0.000 1.182 499 Y HN 0.143 nan 8.280 nan 0.000 0.463 500 A N 2.439 125.293 122.820 0.057 0.000 2.332 500 A HA 0.632 4.952 4.320 -0.000 0.000 0.258 500 A C 0.445 178.099 177.584 0.116 0.000 1.087 500 A CA 0.054 52.072 52.037 -0.030 0.000 0.802 500 A CB 0.110 19.023 19.000 -0.144 0.000 1.042 500 A HN 0.853 nan 8.150 nan 0.000 0.489 501 G N -0.981 107.869 108.800 0.084 0.000 2.371 501 G HA2 0.520 4.480 3.960 -0.000 0.000 0.326 501 G HA3 0.520 4.480 3.960 -0.000 0.000 0.326 501 G C -0.998 173.861 174.900 -0.068 0.000 1.127 501 G CA -0.271 44.850 45.100 0.035 0.000 0.885 501 G HN 1.187 nan 8.290 nan 0.000 0.477 502 V N 2.722 122.520 119.914 -0.194 0.000 2.495 502 V HA 0.821 4.941 4.120 -0.000 0.000 0.298 502 V C -1.169 174.740 176.094 -0.310 0.000 1.031 502 V CA -0.886 61.297 62.300 -0.194 0.000 0.871 502 V CB 0.934 32.648 31.823 -0.181 0.000 0.988 502 V HN 0.554 nan 8.190 nan 0.000 0.432 503 F N 4.201 124.141 119.950 -0.016 0.000 2.598 503 F HA 0.994 5.521 4.527 -0.000 0.000 0.327 503 F C 0.721 176.377 175.800 -0.240 0.000 1.057 503 F CA -0.069 57.969 58.000 0.064 0.000 0.957 503 F CB 2.500 41.611 39.000 0.184 0.000 1.278 503 F HN 0.780 nan 8.300 nan 0.000 0.484 504 G N 0.393 109.196 108.800 0.006 0.000 2.451 504 G HA2 0.250 4.210 3.960 -0.000 0.000 0.292 504 G HA3 0.250 4.210 3.960 -0.000 0.000 0.292 504 G C -1.309 173.657 174.900 0.111 0.000 1.427 504 G CA -0.898 44.037 45.100 -0.275 0.000 0.792 504 G HN 0.629 nan 8.290 nan 0.000 0.498 505 N N -0.410 118.438 118.700 0.247 0.000 2.230 505 N HA 0.088 4.828 4.740 -0.000 0.000 0.202 505 N C 0.014 175.636 175.510 0.188 0.000 1.119 505 N CA -0.248 52.990 53.050 0.313 0.000 0.851 505 N CB 0.620 39.365 38.487 0.431 0.000 0.990 505 N HN 0.459 nan 8.380 nan 0.000 0.497 506 N N 0.482 119.242 118.700 0.099 0.000 2.454 506 N HA 0.019 4.759 4.740 -0.000 0.000 0.291 506 N C -0.306 175.159 175.510 -0.075 0.000 1.079 506 N CA -0.118 52.962 53.050 0.050 0.000 0.893 506 N CB 2.048 40.592 38.487 0.095 0.000 1.512 506 N HN 0.154 nan 8.380 nan 0.000 0.497 507 E N 2.445 122.602 120.200 -0.072 0.000 2.072 507 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 507 E C 1.109 177.570 176.600 -0.231 0.000 0.985 507 E CA 1.167 57.441 56.400 -0.209 0.000 0.801 507 E CB 0.203 29.855 29.700 -0.080 0.000 0.750 507 E HN 0.719 nan 8.360 nan 0.000 0.452 508 E N 0.059 120.196 120.200 -0.104 0.000 2.085 508 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 508 E C 2.178 178.689 176.600 -0.148 0.000 0.994 508 E CA 1.116 57.465 56.400 -0.084 0.000 0.801 508 E CB -0.073 29.635 29.700 0.014 0.000 0.743 508 E HN 0.246 nan 8.360 nan 0.000 0.453 509 L N 0.865 121.996 121.223 -0.155 0.000 2.056 509 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 509 L C 2.059 178.716 176.870 -0.354 0.000 1.078 509 L CA 1.483 56.160 54.840 -0.272 0.000 0.749 509 L CB -0.417 41.526 42.059 -0.193 0.000 0.901 509 L HN 0.215 nan 8.230 nan 0.000 0.433 510 I N 0.013 120.332 120.570 -0.417 0.000 2.163 510 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 510 I C 2.202 178.011 176.117 -0.513 0.000 1.085 510 I CA 1.431 62.378 61.300 -0.588 0.000 1.347 510 I CB -0.545 36.859 38.000 -0.993 0.000 1.044 510 I HN 0.385 nan 8.210 nan 0.000 0.408 511 N N 0.881 119.314 118.700 -0.445 0.000 2.149 511 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 511 N C 1.762 177.154 175.510 -0.197 0.000 1.019 511 N CA 1.328 54.196 53.050 -0.303 0.000 0.857 511 N CB -0.218 38.135 38.487 -0.224 0.000 0.997 511 N HN 0.421 nan 8.380 nan 0.000 0.426 512 K N 0.512 120.812 120.400 -0.167 0.000 2.026 512 K HA -0.029 4.291 4.320 -0.000 0.000 0.208 512 K C 1.985 178.565 176.600 -0.034 0.000 1.048 512 K CA 0.729 56.988 56.287 -0.047 0.000 0.929 512 K CB -0.026 32.498 32.500 0.040 0.000 0.713 512 K HN 0.083 nan 8.250 nan 0.000 0.439 513 I N 1.601 122.045 120.570 -0.210 0.000 2.163 513 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 513 I C 2.284 178.302 176.117 -0.164 0.000 1.085 513 I CA 1.593 62.736 61.300 -0.261 0.000 1.347 513 I CB -1.180 36.590 38.000 -0.384 0.000 1.044 513 I HN 0.182 nan 8.210 nan 0.000 0.408 514 L N -0.083 121.027 121.223 -0.190 0.000 2.083 514 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 514 L C 2.634 179.451 176.870 -0.089 0.000 1.083 514 L CA 1.141 55.894 54.840 -0.145 0.000 0.752 514 L CB -0.639 41.308 42.059 -0.187 0.000 0.899 514 L HN 0.245 nan 8.230 nan 0.000 0.433 515 Q N 0.048 119.803 119.800 -0.075 0.000 2.119 515 Q HA -0.131 4.209 4.340 -0.000 0.000 0.201 515 Q C 2.265 178.258 176.000 -0.013 0.000 0.972 515 Q CA 1.859 57.640 55.803 -0.037 0.000 0.847 515 Q CB -0.097 28.624 28.738 -0.028 0.000 0.903 515 Q HN 0.345 nan 8.270 nan 0.000 0.433 516 S N -0.680 115.021 115.700 0.002 0.000 2.428 516 S HA -0.099 4.371 4.470 -0.000 0.000 0.230 516 S C 1.859 176.448 174.600 -0.019 0.000 1.014 516 S CA 0.849 59.065 58.200 0.026 0.000 0.957 516 S CB -0.359 62.894 63.200 0.088 0.000 0.784 516 S HN 0.472 nan 8.310 nan 0.000 0.499 517 S N 1.710 117.380 115.700 -0.050 0.000 2.355 517 S HA -0.121 4.349 4.470 -0.000 0.000 0.222 517 S C 1.966 176.525 174.600 -0.067 0.000 1.031 517 S CA 1.339 59.496 58.200 -0.072 0.000 0.993 517 S CB -0.289 62.871 63.200 -0.066 0.000 0.859 517 S HN 0.494 nan 8.310 nan 0.000 0.453 518 K N 0.092 120.465 120.400 -0.045 0.000 2.032 518 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 518 K C 2.179 178.761 176.600 -0.030 0.000 1.048 518 K CA 1.990 58.255 56.287 -0.036 0.000 0.927 518 K CB -0.714 31.776 32.500 -0.018 0.000 0.712 518 K HN 0.655 nan 8.250 nan 0.000 0.441 519 T N -1.803 112.748 114.554 -0.005 0.000 3.023 519 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 519 T C 1.960 176.698 174.700 0.062 0.000 1.093 519 T CA 1.216 63.333 62.100 0.028 0.000 1.129 519 T CB -0.089 68.805 68.868 0.043 0.000 0.899 519 T HN 0.298 nan 8.240 nan 0.000 0.491 520 S N 1.252 116.974 115.700 0.037 0.000 2.486 520 S HA 0.121 4.591 4.470 -0.000 0.000 0.220 520 S C 1.015 175.633 174.600 0.031 0.000 1.011 520 S CA 0.057 58.296 58.200 0.065 0.000 0.921 520 S CB -0.514 62.670 63.200 -0.026 0.000 0.785 520 S HN 0.510 nan 8.310 nan 0.000 0.517 521 N N 1.538 120.191 118.700 -0.079 0.000 2.776 521 N HA -0.125 4.615 4.740 -0.000 0.000 0.250 521 N C -1.273 174.136 175.510 -0.168 0.000 1.112 521 N CA 0.851 53.770 53.050 -0.218 0.000 0.733 521 N CB -1.336 36.821 38.487 -0.549 0.000 1.097 521 N HN 0.718 nan 8.380 nan 0.000 0.558 522 E N 0.909 120.999 120.200 -0.183 0.000 2.063 522 E HA 0.261 4.611 4.350 -0.000 0.000 0.265 522 E C -2.438 174.073 176.600 -0.148 0.000 0.919 522 E CA -1.625 54.600 56.400 -0.292 0.000 0.756 522 E CB 0.966 30.227 29.700 -0.731 0.000 1.120 522 E HN 0.096 nan 8.360 nan 0.000 0.414 523 P HA 0.026 nan 4.420 nan 0.000 0.271 523 P C -0.684 176.501 177.300 -0.193 0.000 1.220 523 P CA -0.033 62.807 63.100 -0.433 0.000 0.768 523 P CB 0.810 31.817 31.700 -1.156 0.000 0.848 524 V N 4.151 124.021 119.914 -0.074 0.000 2.925 524 V HA 0.511 4.631 4.120 -0.000 0.000 0.311 524 V C -1.014 175.279 176.094 0.332 0.000 1.104 524 V CA -0.625 61.760 62.300 0.141 0.000 0.954 524 V CB 2.848 34.716 31.823 0.074 0.000 1.022 524 V HN 0.634 nan 8.190 nan 0.000 0.427 525 W N 3.423 124.818 121.300 0.158 0.000 2.819 525 W HA 0.438 5.098 4.660 -0.000 0.000 0.337 525 W C -1.672 174.904 176.519 0.094 0.000 1.077 525 W CA -0.827 56.624 57.345 0.177 0.000 1.226 525 W CB 2.132 31.719 29.460 0.212 0.000 1.419 525 W HN 0.726 nan 8.180 nan 0.000 0.502 526 W N 7.486 128.483 121.300 -0.505 0.000 2.388 526 W HA 0.492 5.152 4.660 -0.000 0.000 0.308 526 W C -1.375 174.970 176.519 -0.290 0.000 1.263 526 W CA -0.845 56.252 57.345 -0.412 0.000 1.286 526 W CB 0.011 29.212 29.460 -0.432 0.000 1.294 526 W HN 0.153 nan 8.180 nan 0.000 0.493 527 L N 9.370 130.464 121.223 -0.215 0.000 2.334 527 L HA 0.532 4.872 4.340 -0.000 0.000 0.273 527 L C -1.736 174.939 176.870 -0.325 0.000 1.013 527 L CA -2.239 52.365 54.840 -0.395 0.000 0.816 527 L CB 2.209 43.894 42.059 -0.624 0.000 1.278 527 L HN 0.267 nan 8.230 nan 0.000 0.431 528 P HA 0.275 nan 4.420 nan 0.000 0.282 528 P C -0.850 176.638 177.300 0.312 0.000 1.249 528 P CA -0.295 62.802 63.100 -0.004 0.000 0.806 528 P CB 1.230 32.877 31.700 -0.089 0.000 0.984 529 I N 3.676 124.436 120.570 0.317 0.000 2.291 529 I HA 0.260 4.429 4.170 -0.000 0.000 0.290 529 I C 0.612 176.813 176.117 0.140 0.000 1.050 529 I CA -0.550 60.939 61.300 0.314 0.000 1.245 529 I CB 0.178 38.389 38.000 0.352 0.000 1.405 529 I HN 0.117 nan 8.210 nan 0.000 0.478 530 I N 6.825 127.428 120.570 0.054 0.000 2.308 530 I HA 0.091 4.261 4.170 -0.000 0.000 0.293 530 I C 1.271 177.269 176.117 -0.198 0.000 1.078 530 I CA -0.165 61.023 61.300 -0.186 0.000 1.292 530 I CB 0.371 38.057 38.000 -0.523 0.000 1.423 530 I HN 0.564 nan 8.210 nan 0.000 0.493 531 N N 4.514 123.151 118.700 -0.104 0.000 2.309 531 N HA -0.197 4.543 4.740 -0.000 0.000 0.182 531 N C 1.619 177.088 175.510 -0.067 0.000 1.018 531 N CA 0.867 53.892 53.050 -0.042 0.000 0.876 531 N CB 0.037 38.519 38.487 -0.009 0.000 0.972 531 N HN 0.630 nan 8.380 nan 0.000 0.434 532 E N 0.455 120.553 120.200 -0.170 0.000 2.171 532 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 532 E C 0.991 177.619 176.600 0.047 0.000 0.997 532 E CA 1.132 57.468 56.400 -0.107 0.000 0.810 532 E CB -0.115 29.485 29.700 -0.168 0.000 0.738 532 E HN 0.585 nan 8.360 nan 0.000 0.467 533 Y N -1.113 119.217 120.300 0.050 0.000 2.544 533 Y HA 0.000 4.550 4.550 -0.000 0.000 0.286 533 Y C 2.300 178.231 175.900 0.052 0.000 1.141 533 Y CA -0.108 58.023 58.100 0.050 0.000 1.299 533 Y CB 0.100 38.596 38.460 0.060 0.000 1.030 533 Y HN -0.014 nan 8.280 nan 0.000 0.543 534 R N 1.982 122.582 120.500 0.168 0.000 2.119 534 R HA -0.222 4.118 4.340 -0.000 0.000 0.246 534 R C 2.184 178.543 176.300 0.098 0.000 1.146 534 R CA 1.721 57.891 56.100 0.115 0.000 0.962 534 R CB -0.932 29.408 30.300 0.065 0.000 0.863 534 R HN 0.281 nan 8.270 nan 0.000 0.442 535 A N -0.668 122.205 122.820 0.088 0.000 2.024 535 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 535 A C 2.033 179.657 177.584 0.066 0.000 1.164 535 A CA 2.067 54.143 52.037 0.064 0.000 0.643 535 A CB -1.134 17.900 19.000 0.056 0.000 0.806 535 A HN 0.642 nan 8.150 nan 0.000 0.451 536 T N -2.509 112.097 114.554 0.087 0.000 3.163 536 T HA 0.184 4.534 4.350 -0.000 0.000 0.260 536 T C 1.181 175.925 174.700 0.073 0.000 1.156 536 T CA 0.845 62.985 62.100 0.067 0.000 1.072 536 T CB -0.349 68.552 68.868 0.055 0.000 0.937 536 T HN 0.328 nan 8.240 nan 0.000 0.528 537 L N 0.376 121.654 121.223 0.093 0.000 2.607 537 L HA 0.319 4.659 4.340 -0.000 0.000 0.228 537 L C 0.189 177.113 176.870 0.091 0.000 1.123 537 L CA -0.443 54.466 54.840 0.114 0.000 0.890 537 L CB -0.209 41.949 42.059 0.166 0.000 1.103 537 L HN 0.107 nan 8.230 nan 0.000 0.468 538 N N 1.343 120.078 118.700 0.058 0.000 2.406 538 N HA -0.009 4.731 4.740 -0.000 0.000 0.265 538 N C 0.113 175.639 175.510 0.028 0.000 1.203 538 N CA 0.279 53.349 53.050 0.033 0.000 0.945 538 N CB 0.887 39.383 38.487 0.015 0.000 1.165 538 N HN -0.022 nan 8.380 nan 0.000 0.485 539 S N 1.418 117.141 115.700 0.038 0.000 2.580 539 S HA 0.111 4.581 4.470 -0.000 0.000 0.274 539 S C 1.360 175.942 174.600 -0.030 0.000 1.329 539 S CA -0.466 57.756 58.200 0.037 0.000 1.036 539 S CB 1.013 64.264 63.200 0.084 0.000 0.919 539 S HN 0.504 nan 8.310 nan 0.000 0.515 540 K N 2.744 123.090 120.400 -0.089 0.000 2.155 540 K HA 0.073 4.393 4.320 -0.000 0.000 0.203 540 K C 0.669 176.976 176.600 -0.488 0.000 1.052 540 K CA 1.706 57.803 56.287 -0.317 0.000 0.948 540 K CB -0.258 31.975 32.500 -0.445 0.000 0.728 540 K HN 0.776 nan 8.250 nan 0.000 0.448 541 Y N -1.136 119.178 120.300 0.024 0.000 2.609 541 Y HA 0.466 5.016 4.550 -0.000 0.000 0.281 541 Y C 0.919 176.837 175.900 0.030 0.000 1.132 541 Y CA 0.019 58.133 58.100 0.023 0.000 1.264 541 Y CB -0.141 38.332 38.460 0.021 0.000 1.325 541 Y HN 0.006 nan 8.280 nan 0.000 0.514 542 A N 0.160 123.087 122.820 0.177 0.000 2.240 542 A HA 0.228 4.548 4.320 -0.000 0.000 0.292 542 A C 0.720 178.353 177.584 0.082 0.000 1.121 542 A CA -0.013 52.101 52.037 0.129 0.000 0.851 542 A CB 0.068 19.154 19.000 0.143 0.000 1.167 542 A HN 0.241 nan 8.150 nan 0.000 0.503 543 D N -0.852 119.591 120.400 0.073 0.000 2.178 543 D HA 0.054 4.694 4.640 -0.000 0.000 0.202 543 D C 0.261 176.586 176.300 0.041 0.000 0.974 543 D CA 1.622 55.643 54.000 0.035 0.000 0.841 543 D CB 0.113 40.919 40.800 0.011 0.000 0.953 543 D HN 0.404 nan 8.370 nan 0.000 0.478 544 I N -0.257 120.371 120.570 0.096 0.000 2.842 544 I HA 0.116 4.286 4.170 -0.000 0.000 0.297 544 I C -1.418 174.828 176.117 0.215 0.000 1.380 544 I CA -0.740 60.642 61.300 0.137 0.000 1.018 544 I CB 2.019 40.089 38.000 0.118 0.000 1.311 544 I HN -0.329 nan 8.210 nan 0.000 0.439 545 N N 4.863 123.685 118.700 0.204 0.000 2.530 545 N HA 0.148 4.888 4.740 -0.000 0.000 0.277 545 N C 0.268 175.922 175.510 0.240 0.000 1.168 545 N CA -0.148 53.010 53.050 0.180 0.000 0.979 545 N CB 1.731 40.287 38.487 0.115 0.000 1.141 545 N HN 0.675 nan 8.380 nan 0.000 0.459 546 Q N 1.999 121.843 119.800 0.073 0.000 2.096 546 Q HA -0.017 4.323 4.340 -0.000 0.000 0.197 546 Q C 0.245 176.094 176.000 -0.252 0.000 0.964 546 Q CA 1.053 56.697 55.803 -0.265 0.000 0.838 546 Q CB 0.200 28.806 28.738 -0.221 0.000 0.906 546 Q HN 0.730 nan 8.270 nan 0.000 0.444 547 I N -2.464 118.055 120.570 -0.084 0.000 2.846 547 I HA 0.492 4.662 4.170 -0.000 0.000 0.307 547 I C -0.218 175.899 176.117 0.001 0.000 1.053 547 I CA -1.234 60.032 61.300 -0.055 0.000 1.050 547 I CB 2.011 39.974 38.000 -0.062 0.000 1.239 547 I HN -0.194 nan 8.210 nan 0.000 0.439 548 S N 1.422 117.123 115.700 0.002 0.000 2.585 548 S HA 0.223 4.693 4.470 -0.000 0.000 0.273 548 S C 1.107 175.701 174.600 -0.011 0.000 1.339 548 S CA 0.081 58.284 58.200 0.004 0.000 1.028 548 S CB 0.796 63.987 63.200 -0.014 0.000 0.906 548 S HN 0.854 nan 8.310 nan 0.000 0.528 549 S N 2.985 118.681 115.700 -0.006 0.000 2.371 549 S HA -0.045 4.425 4.470 -0.000 0.000 0.219 549 S C 2.002 176.586 174.600 -0.027 0.000 1.040 549 S CA 0.762 58.955 58.200 -0.013 0.000 0.958 549 S CB -0.899 62.300 63.200 -0.003 0.000 0.860 549 S HN 0.812 nan 8.310 nan 0.000 0.487 550 S N 1.771 117.453 115.700 -0.030 0.000 2.341 550 S HA 0.152 4.622 4.470 -0.000 0.000 0.216 550 S C 0.799 175.349 174.600 -0.083 0.000 1.034 550 S CA 0.175 58.347 58.200 -0.046 0.000 0.964 550 S CB -1.111 62.069 63.200 -0.034 0.000 0.882 550 S HN 0.292 nan 8.310 nan 0.000 0.469 551 V N 3.594 123.438 119.914 -0.116 0.000 2.485 551 V HA 0.121 4.241 4.120 -0.000 0.000 0.287 551 V C 1.032 177.024 176.094 -0.169 0.000 1.022 551 V CA 0.218 62.387 62.300 -0.218 0.000 1.067 551 V CB 0.565 32.164 31.823 -0.374 0.000 0.967 551 V HN 0.449 nan 8.190 nan 0.000 0.479 552 K N 3.452 123.752 120.400 -0.166 0.000 2.426 552 K HA 0.216 4.536 4.320 -0.000 0.000 0.193 552 K C 1.147 177.689 176.600 -0.098 0.000 1.028 552 K CA 0.539 56.756 56.287 -0.117 0.000 1.047 552 K CB 0.320 32.754 32.500 -0.110 0.000 0.821 552 K HN 0.750 nan 8.250 nan 0.000 0.513 553 A N 1.953 124.691 122.820 -0.137 0.000 3.026 553 A HA 0.045 4.365 4.320 -0.000 0.000 0.272 553 A C 1.336 178.922 177.584 0.003 0.000 1.782 553 A CA -0.143 51.867 52.037 -0.044 0.000 1.451 553 A CB -0.571 18.403 19.000 -0.042 0.000 1.081 553 A HN 0.278 nan 8.150 nan 0.000 0.611 554 S N 0.133 115.840 115.700 0.012 0.000 2.428 554 S HA -0.130 4.340 4.470 -0.000 0.000 0.230 554 S C 1.782 176.401 174.600 0.032 0.000 1.014 554 S CA 1.400 59.609 58.200 0.015 0.000 0.957 554 S CB -0.333 62.871 63.200 0.008 0.000 0.784 554 S HN 0.558 nan 8.310 nan 0.000 0.499 555 S N 2.262 118.003 115.700 0.069 0.000 2.382 555 S HA 0.076 4.546 4.470 -0.000 0.000 0.228 555 S C 1.750 176.239 174.600 -0.184 0.000 1.027 555 S CA 1.385 59.596 58.200 0.018 0.000 0.991 555 S CB -0.514 62.814 63.200 0.213 0.000 0.823 555 S HN 0.537 nan 8.310 nan 0.000 0.469 556 I N 0.976 121.569 120.570 0.038 0.000 2.233 556 I HA -0.103 4.067 4.170 -0.000 0.000 0.243 556 I C 2.199 178.376 176.117 0.101 0.000 1.093 556 I CA 0.774 62.143 61.300 0.115 0.000 1.380 556 I CB -0.457 37.767 38.000 0.373 0.000 1.067 556 I HN 0.140 nan 8.210 nan 0.000 0.413 557 V N 1.239 121.220 119.914 0.111 0.000 2.295 557 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 557 V C 2.775 178.935 176.094 0.109 0.000 1.049 557 V CA 2.060 64.432 62.300 0.120 0.000 1.024 557 V CB -1.040 30.821 31.823 0.064 0.000 0.648 557 V HN 0.493 nan 8.190 nan 0.000 0.447 558 A N -0.317 122.525 122.820 0.037 0.000 1.908 558 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 558 A C 2.486 180.094 177.584 0.039 0.000 1.181 558 A CA 2.457 54.510 52.037 0.026 0.000 0.627 558 A CB -0.785 18.198 19.000 -0.029 0.000 0.818 558 A HN 0.525 nan 8.150 nan 0.000 0.445 559 S N -0.182 115.475 115.700 -0.073 0.000 2.356 559 S HA -0.121 4.349 4.470 -0.000 0.000 0.223 559 S C 1.833 176.564 174.600 0.218 0.000 1.032 559 S CA 1.476 59.692 58.200 0.028 0.000 1.005 559 S CB -0.508 62.614 63.200 -0.130 0.000 0.867 559 S HN 0.496 nan 8.310 nan 0.000 0.449 560 L N 0.029 121.364 121.223 0.186 0.000 2.042 560 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 560 L C 2.235 179.192 176.870 0.145 0.000 1.076 560 L CA 1.540 56.486 54.840 0.177 0.000 0.749 560 L CB -0.462 41.706 42.059 0.182 0.000 0.893 560 L HN 0.292 nan 8.230 nan 0.000 0.432 561 F N 0.292 120.282 119.950 0.067 0.000 2.113 561 F HA -0.215 4.312 4.527 -0.000 0.000 0.297 561 F C 2.199 178.091 175.800 0.153 0.000 1.103 561 F CA 1.486 59.548 58.000 0.105 0.000 1.248 561 F CB -0.141 38.916 39.000 0.094 0.000 0.999 561 F HN -0.137 nan 8.300 nan 0.000 0.475 562 L N 0.447 121.776 121.223 0.178 0.000 2.042 562 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 562 L C 2.520 179.160 176.870 -0.383 0.000 1.076 562 L CA 1.933 56.754 54.840 -0.031 0.000 0.749 562 L CB -0.853 41.213 42.059 0.012 0.000 0.893 562 L HN 0.135 nan 8.230 nan 0.000 0.432 563 K N 0.154 120.299 120.400 -0.425 0.000 2.160 563 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 563 K C 1.857 178.217 176.600 -0.400 0.000 1.047 563 K CA 1.225 57.193 56.287 -0.531 0.000 0.930 563 K CB 0.071 32.532 32.500 -0.064 0.000 0.720 563 K HN 0.213 nan 8.250 nan 0.000 0.450 564 E N -0.494 119.473 120.200 -0.389 0.000 2.472 564 E HA -0.145 4.205 4.350 -0.000 0.000 0.200 564 E C 0.601 176.683 176.600 -0.862 0.000 1.046 564 E CA 0.851 56.889 56.400 -0.602 0.000 0.871 564 E CB 0.068 29.302 29.700 -0.777 0.000 0.806 564 E HN 0.402 nan 8.360 nan 0.000 0.533 565 F N -0.652 119.050 119.950 -0.414 0.000 2.688 565 F HA 0.131 4.658 4.527 -0.000 0.000 0.310 565 F C 0.377 175.989 175.800 -0.314 0.000 1.098 565 F CA -0.161 57.642 58.000 -0.328 0.000 1.228 565 F CB 1.019 39.833 39.000 -0.309 0.000 1.042 565 F HN -0.312 nan 8.300 nan 0.000 0.557 566 V N 0.223 119.968 119.914 -0.283 0.000 2.326 566 V HA 0.131 4.251 4.120 -0.000 0.000 0.281 566 V C 0.588 176.590 176.094 -0.154 0.000 1.015 566 V CA -0.183 61.980 62.300 -0.228 0.000 0.823 566 V CB 1.160 32.774 31.823 -0.349 0.000 1.009 566 V HN 0.074 nan 8.190 nan 0.000 0.436 567 Q N 2.852 122.591 119.800 -0.103 0.000 2.083 567 Q HA -0.017 4.323 4.340 -0.000 0.000 0.198 567 Q C 1.387 177.364 176.000 -0.038 0.000 0.969 567 Q CA 1.822 57.575 55.803 -0.082 0.000 0.838 567 Q CB -0.043 28.650 28.738 -0.075 0.000 0.900 567 Q HN 0.864 nan 8.270 nan 0.000 0.436 568 N N -0.916 117.776 118.700 -0.014 0.000 2.423 568 N HA 0.120 4.860 4.740 -0.000 0.000 0.262 568 N C -1.626 173.903 175.510 0.031 0.000 1.467 568 N CA 0.103 53.158 53.050 0.008 0.000 0.847 568 N CB 1.258 39.741 38.487 -0.006 0.000 1.394 568 N HN 0.162 nan 8.380 nan 0.000 0.495 569 T N -0.114 114.477 114.554 0.062 0.000 2.876 569 T HA 0.663 5.013 4.350 -0.000 0.000 0.289 569 T C -0.205 174.609 174.700 0.190 0.000 1.014 569 T CA -0.574 61.586 62.100 0.100 0.000 0.986 569 T CB 1.820 70.744 68.868 0.095 0.000 1.021 569 T HN 0.247 nan 8.240 nan 0.000 0.458 570 A N 2.566 125.511 122.820 0.209 0.000 2.566 570 A HA 0.386 4.706 4.320 -0.000 0.000 0.245 570 A C -0.640 177.178 177.584 0.389 0.000 1.056 570 A CA 0.073 52.288 52.037 0.297 0.000 0.757 570 A CB -0.457 18.775 19.000 0.386 0.000 0.979 570 A HN 0.865 nan 8.150 nan 0.000 0.508 571 W N 2.378 123.754 121.300 0.127 0.000 3.129 571 W HA 0.606 5.266 4.660 -0.000 0.000 0.333 571 W C -0.697 175.872 176.519 0.084 0.000 1.141 571 W CA 0.061 57.472 57.345 0.109 0.000 1.224 571 W CB 1.253 30.776 29.460 0.106 0.000 1.393 571 W HN 0.966 nan 8.180 nan 0.000 0.499 572 A N 3.598 125.943 122.820 -0.792 0.000 2.498 572 A HA 0.694 5.014 4.320 -0.000 0.000 0.298 572 A C -2.213 174.865 177.584 -0.844 0.000 1.075 572 A CA -0.687 50.819 52.037 -0.885 0.000 0.714 572 A CB 1.645 20.339 19.000 -0.510 0.000 1.299 572 A HN 0.979 nan 8.150 nan 0.000 0.407 573 H N 0.542 119.218 119.070 -0.657 0.000 2.840 573 H HA 0.670 5.226 4.556 -0.000 0.000 0.340 573 H C -1.765 173.569 175.328 0.010 0.000 1.004 573 H CA -0.590 55.319 56.048 -0.232 0.000 1.288 573 H CB 0.747 30.456 29.762 -0.088 0.000 1.607 573 H HN 0.474 nan 8.280 nan 0.000 0.522 574 I N 4.533 124.914 120.570 -0.314 0.000 2.328 574 I HA 0.159 4.329 4.170 -0.000 0.000 0.287 574 I C -0.311 175.628 176.117 -0.296 0.000 1.012 574 I CA -0.606 60.550 61.300 -0.241 0.000 1.195 574 I CB 1.178 39.124 38.000 -0.091 0.000 1.350 574 I HN 0.597 nan 8.210 nan 0.000 0.464 575 D N 7.687 127.943 120.400 -0.239 0.000 2.380 575 D HA 0.238 4.877 4.640 -0.000 0.000 0.230 575 D C 0.602 176.883 176.300 -0.030 0.000 1.154 575 D CA -0.267 53.678 54.000 -0.090 0.000 0.859 575 D CB 1.027 41.888 40.800 0.102 0.000 1.045 575 D HN 0.561 nan 8.370 nan 0.000 0.495 576 I N 0.791 121.326 120.570 -0.057 0.000 3.891 576 I HA 0.342 4.512 4.170 -0.000 0.000 0.331 576 I C 1.531 177.621 176.117 -0.045 0.000 1.406 576 I CA -0.552 60.666 61.300 -0.137 0.000 1.139 576 I CB 0.573 38.485 38.000 -0.147 0.000 1.056 576 I HN 0.178 nan 8.210 nan 0.000 0.399 577 A N 1.882 124.727 122.820 0.040 0.000 1.940 577 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 577 A C 2.283 180.026 177.584 0.264 0.000 1.176 577 A CA 1.942 54.073 52.037 0.157 0.000 0.631 577 A CB -1.160 17.935 19.000 0.158 0.000 0.814 577 A HN 0.564 nan 8.150 nan 0.000 0.446 578 G N -0.974 107.921 108.800 0.159 0.000 2.494 578 G HA2 0.109 4.069 3.960 -0.000 0.000 0.216 578 G HA3 0.109 4.069 3.960 -0.000 0.000 0.216 578 G C 1.337 176.341 174.900 0.173 0.000 1.140 578 G CA 1.296 46.500 45.100 0.175 0.000 0.801 578 G HN 1.014 nan 8.290 nan 0.000 0.536 579 V N -2.040 117.880 119.914 0.010 0.000 3.644 579 V HA 0.215 4.335 4.120 -0.000 0.000 0.267 579 V C 2.369 178.428 176.094 -0.059 0.000 1.277 579 V CA 1.386 63.617 62.300 -0.114 0.000 1.096 579 V CB 0.352 31.816 31.823 -0.599 0.000 0.828 579 V HN 0.250 nan 8.190 nan 0.000 0.446 580 S N -0.272 115.471 115.700 0.071 0.000 2.368 580 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 580 S C 0.697 175.437 174.600 0.232 0.000 1.029 580 S CA 0.459 58.763 58.200 0.173 0.000 0.988 580 S CB -0.241 63.100 63.200 0.236 0.000 0.838 580 S HN 0.804 nan 8.310 nan 0.000 0.462 581 W N 3.075 124.347 121.300 -0.046 0.000 2.361 581 W HA 0.422 5.082 4.660 -0.000 0.000 0.309 581 W C -0.561 175.675 176.519 -0.473 0.000 1.122 581 W CA -0.934 56.197 57.345 -0.357 0.000 1.208 581 W CB 0.747 29.707 29.460 -0.834 0.000 1.246 581 W HN 0.170 nan 8.180 nan 0.000 0.490 582 N N 5.677 123.977 118.700 -0.667 0.000 2.508 582 N HA 0.021 4.761 4.740 -0.000 0.000 0.253 582 N C 0.644 175.926 175.510 -0.380 0.000 1.145 582 N CA 0.026 52.857 53.050 -0.365 0.000 0.973 582 N CB -0.211 38.122 38.487 -0.258 0.000 1.305 582 N HN 0.294 nan 8.380 nan 0.000 0.506 583 F N 2.344 122.349 119.950 0.092 0.000 2.134 583 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 583 F C 2.308 178.170 175.800 0.104 0.000 1.097 583 F CA 1.112 59.247 58.000 0.225 0.000 1.264 583 F CB -0.039 39.069 39.000 0.180 0.000 1.001 583 F HN 0.432 nan 8.300 nan 0.000 0.479 584 K N 0.801 121.342 120.400 0.235 0.000 2.026 584 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 584 K C 2.058 178.701 176.600 0.072 0.000 1.048 584 K CA 1.471 57.839 56.287 0.134 0.000 0.929 584 K CB -0.361 32.202 32.500 0.106 0.000 0.713 584 K HN 0.165 nan 8.250 nan 0.000 0.439 585 A N 0.695 123.521 122.820 0.010 0.000 2.206 585 A HA 0.062 4.382 4.320 -0.000 0.000 0.211 585 A C 0.207 177.746 177.584 -0.075 0.000 1.158 585 A CA 0.690 52.707 52.037 -0.034 0.000 0.761 585 A CB -0.341 18.627 19.000 -0.053 0.000 0.801 585 A HN 0.512 nan 8.150 nan 0.000 0.473 586 R N -1.218 119.240 120.500 -0.069 0.000 3.525 586 R HA -0.190 4.150 4.340 -0.000 0.000 0.276 586 R C -0.458 175.680 176.300 -0.270 0.000 1.116 586 R CA 1.422 57.530 56.100 0.014 0.000 0.745 586 R CB -2.201 28.170 30.300 0.118 0.000 1.185 586 R HN 0.857 nan 8.270 nan 0.000 0.454 587 K N -1.910 117.988 120.400 -0.838 0.000 2.533 587 K HA 0.623 4.943 4.320 -0.000 0.000 0.272 587 K C -3.200 172.562 176.600 -1.397 0.000 0.985 587 K CA -2.345 53.338 56.287 -1.006 0.000 0.876 587 K CB 2.639 34.891 32.500 -0.414 0.000 1.452 587 K HN -0.312 nan 8.250 nan 0.000 0.439 588 P HA 0.136 nan 4.420 nan 0.000 0.272 588 P C -0.482 176.725 177.300 -0.155 0.000 1.240 588 P CA -0.510 62.319 63.100 -0.450 0.000 0.791 588 P CB 0.563 32.210 31.700 -0.088 0.000 0.978 589 K N 0.181 120.562 120.400 -0.031 0.000 2.354 589 K HA 0.167 4.487 4.320 -0.000 0.000 0.194 589 K C 1.035 177.578 176.600 -0.095 0.000 1.038 589 K CA 0.553 56.854 56.287 0.025 0.000 1.052 589 K CB -0.229 32.327 32.500 0.094 0.000 0.861 589 K HN 0.807 nan 8.250 nan 0.000 0.535 590 G N 2.620 111.405 108.800 -0.025 0.000 2.249 590 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.273 590 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.273 590 G C -0.106 174.761 174.900 -0.055 0.000 1.036 590 G CA -0.071 44.980 45.100 -0.082 0.000 0.824 590 G HN 0.378 nan 8.290 nan 0.000 0.504 591 F N 0.525 120.416 119.950 -0.099 0.000 2.578 591 F HA 0.397 4.924 4.527 -0.000 0.000 0.376 591 F C 1.536 177.294 175.800 -0.068 0.000 1.085 591 F CA 1.805 59.760 58.000 -0.076 0.000 1.260 591 F CB 0.620 39.604 39.000 -0.026 0.000 1.095 591 F HN 0.833 nan 8.300 nan 0.000 0.573 592 G N 3.241 111.809 108.800 -0.388 0.000 2.352 592 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.204 592 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.204 592 G C 0.774 175.571 174.900 -0.171 0.000 1.004 592 G CA -0.040 44.958 45.100 -0.169 0.000 0.648 592 G HN 0.642 nan 8.290 nan 0.000 0.491 593 V N 1.560 121.367 119.914 -0.177 0.000 2.231 593 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 593 V C 2.909 178.839 176.094 -0.274 0.000 1.054 593 V CA 3.033 65.234 62.300 -0.165 0.000 1.015 593 V CB -0.612 31.113 31.823 -0.164 0.000 0.638 593 V HN 0.509 nan 8.190 nan 0.000 0.444 594 R N -0.702 119.568 120.500 -0.384 0.000 2.066 594 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 594 R C 2.270 178.385 176.300 -0.308 0.000 1.131 594 R CA 1.601 57.380 56.100 -0.535 0.000 0.955 594 R CB -0.701 29.370 30.300 -0.382 0.000 0.851 594 R HN 0.400 nan 8.270 nan 0.000 0.432 595 L N 1.376 122.447 121.223 -0.253 0.000 1.997 595 L HA -0.230 4.110 4.340 -0.000 0.000 0.216 595 L C 2.012 178.856 176.870 -0.044 0.000 1.074 595 L CA 1.830 56.578 54.840 -0.154 0.000 0.763 595 L CB -0.417 41.518 42.059 -0.206 0.000 0.890 595 L HN 0.168 nan 8.230 nan 0.000 0.434 596 L N -1.532 119.667 121.223 -0.040 0.000 2.093 596 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 596 L C 2.328 179.274 176.870 0.127 0.000 1.085 596 L CA 1.582 56.471 54.840 0.082 0.000 0.755 596 L CB -0.994 41.112 42.059 0.080 0.000 0.904 596 L HN 0.332 nan 8.230 nan 0.000 0.435 597 T N -1.141 113.411 114.554 -0.004 0.000 2.737 597 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 597 T C 1.796 176.539 174.700 0.071 0.000 1.038 597 T CA 0.910 63.011 62.100 0.002 0.000 1.144 597 T CB -0.085 68.682 68.868 -0.167 0.000 0.866 597 T HN 0.244 nan 8.240 nan 0.000 0.434 598 E N 0.820 121.063 120.200 0.073 0.000 2.085 598 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 598 E C 1.893 178.547 176.600 0.091 0.000 0.994 598 E CA 0.921 57.394 56.400 0.123 0.000 0.801 598 E CB -0.507 29.260 29.700 0.112 0.000 0.743 598 E HN 0.513 nan 8.360 nan 0.000 0.453 599 F N 1.522 121.454 119.950 -0.030 0.000 2.091 599 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 599 F C 2.256 178.042 175.800 -0.024 0.000 1.103 599 F CA 1.209 59.178 58.000 -0.052 0.000 1.228 599 F CB -0.471 38.481 39.000 -0.080 0.000 0.984 599 F HN -0.198 nan 8.300 nan 0.000 0.477 600 V N 0.007 119.798 119.914 -0.205 0.000 2.358 600 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 600 V C 2.362 178.354 176.094 -0.170 0.000 1.047 600 V CA 1.583 63.735 62.300 -0.246 0.000 1.035 600 V CB -0.633 31.169 31.823 -0.034 0.000 0.658 600 V HN 0.303 nan 8.190 nan 0.000 0.452 601 L N 0.886 122.067 121.223 -0.071 0.000 2.131 601 L HA 0.011 4.351 4.340 -0.000 0.000 0.206 601 L C 2.377 179.219 176.870 -0.047 0.000 1.087 601 L CA 2.128 56.950 54.840 -0.029 0.000 0.767 601 L CB -1.476 40.608 42.059 0.041 0.000 0.917 601 L HN 0.542 nan 8.230 nan 0.000 0.441 602 N N -1.440 117.220 118.700 -0.066 0.000 2.449 602 N HA -0.022 4.718 4.740 -0.000 0.000 0.191 602 N C 0.749 176.205 175.510 -0.091 0.000 1.161 602 N CA 0.421 53.437 53.050 -0.057 0.000 0.863 602 N CB -0.538 37.933 38.487 -0.028 0.000 0.980 602 N HN 0.335 nan 8.380 nan 0.000 0.458 603 D N 0.000 120.315 120.400 -0.141 0.000 6.856 603 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 603 D CA 0.000 53.932 54.000 -0.113 0.000 0.868 603 D CB 0.000 40.694 40.800 -0.177 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683