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 2olv_1_B DATA FIRST_RESID 67 DATA SEQUENCE AKLQDPIPAK IYDKNGELVK TLDNGQRHEH VNLKDVPKSX KDAVLATEDN DATA SEQUENCE RFYEHGALDY KRLFGAIGKN XXXXXXXXGA STLTQQVVKD AFLSQHKSIG DATA SEQUENCE RKAQEAYLSY RLEQEYSKDD IFQVYLNKIY YSDGVTGIKA AAKYYFNKDL DATA SEQUENCE KDLNLAEEAY LAGLPQVPNN YNIYDHPKAA EDRKNTVLYL XHYHKRITDK DATA SEQUENCE QWEDAKKIDL KANLVNRTPE ERQNIDTNQD SEYNSYVNFV KSELXNNKAF DATA SEQUENCE KDENLGNVLQ SGIKIYTNXD KDVQKTLQND VDNGSFYKNK DQQVGATILD DATA SEQUENCE SKTGGLVAIS GGRDFKDVVN RNQATDPHPT GSSLKPFLAY GPAIENXKWA DATA SEQUENCE TNHAIQDESS YQVDGSTFRN YDTKSHGTVS IYDALRQSFN IPALKAWQSV DATA SEQUENCE KQNAGNDAPK KFAAKLGLNY EGDIGPSEVL GGSASEFSPT QLASAFAAIA DATA SEQUENCE NGGTYNNAHS IQKVVTRDGE TIEYDHTSHK AXSDYTAYXL AEXLKGTFKP DATA SEQUENCE YGSAYGHGVS GVNXGAKTGT GTYGAETYSQ YNLPDNAAKD VWINGFTPQY DATA SEQUENCE TXSVWXGFSK VKQYGENSFV GHSQQEYPQF LYENVXSKIS SRDGEDFKRP DATA SEQUENCE SSVSGSIPSI NVSGSQDNNT TNRSTH 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 67 A HA 0.000 nan 4.320 nan 0.000 0.244 67 A C 0.000 177.624 177.584 0.067 0.000 1.274 67 A CA 0.000 52.081 52.037 0.073 0.000 0.836 67 A CB 0.000 19.057 19.000 0.095 0.000 0.831 68 K N 1.410 121.834 120.400 0.040 0.000 2.484 68 K HA 0.555 4.874 4.320 -0.002 0.000 0.226 68 K C 0.081 176.682 176.600 0.002 0.000 1.031 68 K CA -0.487 55.818 56.287 0.030 0.000 1.026 68 K CB 0.188 32.703 32.500 0.025 0.000 1.412 68 K HN 0.429 nan 8.250 nan 0.000 0.492 69 L N 1.757 122.964 121.223 -0.027 0.000 2.270 69 L HA 0.009 4.348 4.340 -0.002 0.000 0.210 69 L C 0.498 177.356 176.870 -0.018 0.000 1.104 69 L CA 0.327 55.129 54.840 -0.063 0.000 0.804 69 L CB -0.056 41.882 42.059 -0.202 0.000 0.937 69 L HN 0.487 nan 8.230 nan 0.000 0.450 70 Q N 1.347 121.153 119.800 0.009 0.000 2.269 70 Q HA -0.063 4.276 4.340 -0.002 0.000 0.300 70 Q C -0.058 175.929 176.000 -0.020 0.000 1.070 70 Q CA 0.396 56.205 55.803 0.010 0.000 0.957 70 Q CB 0.074 28.827 28.738 0.025 0.000 1.131 70 Q HN 0.005 nan 8.270 nan 0.000 0.377 71 D N 4.670 125.041 120.400 -0.048 0.000 2.339 71 D HA 0.113 4.752 4.640 -0.002 0.000 0.256 71 D C -2.180 174.072 176.300 -0.081 0.000 1.214 71 D CA -1.924 52.046 54.000 -0.050 0.000 0.877 71 D CB 0.660 41.448 40.800 -0.019 0.000 1.111 71 D HN 0.208 nan 8.370 nan 0.000 0.478 72 P HA 0.181 nan 4.420 nan 0.000 0.268 72 P C -0.403 176.899 177.300 0.004 0.000 1.205 72 P CA -0.171 62.910 63.100 -0.031 0.000 0.771 72 P CB 0.788 32.465 31.700 -0.038 0.000 0.858 73 I N 4.907 125.484 120.570 0.012 0.000 2.418 73 I HA 0.347 4.516 4.170 -0.002 0.000 0.287 73 I C -2.403 173.752 176.117 0.064 0.000 1.008 73 I CA -2.907 58.427 61.300 0.058 0.000 1.104 73 I CB 2.792 40.823 38.000 0.052 0.000 1.264 73 I HN 0.208 nan 8.210 nan 0.000 0.438 74 P HA 0.306 nan 4.420 nan 0.000 0.282 74 P C -1.042 176.280 177.300 0.037 0.000 1.259 74 P CA -0.536 62.592 63.100 0.046 0.000 0.826 74 P CB 1.275 33.003 31.700 0.046 0.000 1.064 75 A N 2.447 125.277 122.820 0.017 0.000 2.440 75 A HA 0.234 4.552 4.320 -0.002 0.000 0.251 75 A C 0.194 177.760 177.584 -0.030 0.000 1.089 75 A CA 0.026 52.067 52.037 0.008 0.000 0.779 75 A CB -0.405 18.591 19.000 -0.007 0.000 1.022 75 A HN 0.421 nan 8.150 nan 0.000 0.492 76 K N 2.165 122.542 120.400 -0.038 0.000 2.206 76 K HA 0.578 4.897 4.320 -0.002 0.000 0.264 76 K C -1.085 175.346 176.600 -0.281 0.000 0.967 76 K CA -0.115 56.058 56.287 -0.190 0.000 0.844 76 K CB 1.759 34.145 32.500 -0.191 0.000 1.099 76 K HN 0.656 nan 8.250 nan 0.000 0.441 77 I N 3.138 123.450 120.570 -0.429 0.000 2.460 77 I HA 0.321 4.489 4.170 -0.002 0.000 0.298 77 I C -0.934 174.770 176.117 -0.689 0.000 0.989 77 I CA -0.952 60.118 61.300 -0.383 0.000 1.173 77 I CB 0.887 38.753 38.000 -0.223 0.000 1.338 77 I HN 0.452 nan 8.210 nan 0.000 0.456 78 Y N 3.094 123.185 120.300 -0.349 0.000 2.409 78 Y HA 0.278 4.826 4.550 -0.002 0.000 0.343 78 Y C 0.166 175.913 175.900 -0.255 0.000 0.973 78 Y CA -1.278 56.613 58.100 -0.348 0.000 1.064 78 Y CB 1.067 39.203 38.460 -0.540 0.000 1.207 78 Y HN 0.566 nan 8.280 nan 0.000 0.452 79 D N 1.300 121.627 120.400 -0.122 0.000 2.356 79 D HA 0.018 4.656 4.640 -0.002 0.000 0.258 79 D C 0.759 177.042 176.300 -0.029 0.000 1.279 79 D CA -0.411 53.497 54.000 -0.154 0.000 1.016 79 D CB 0.666 41.358 40.800 -0.180 0.000 1.107 79 D HN 0.680 nan 8.370 nan 0.000 0.544 80 K N -0.737 119.636 120.400 -0.045 0.000 2.280 80 K HA -0.115 4.204 4.320 -0.002 0.000 0.202 80 K C 0.977 177.598 176.600 0.036 0.000 1.047 80 K CA 1.053 57.344 56.287 0.006 0.000 0.942 80 K CB -0.377 32.117 32.500 -0.010 0.000 0.739 80 K HN 0.142 nan 8.250 nan 0.000 0.457 81 N N 0.591 119.309 118.700 0.029 0.000 2.467 81 N HA 0.023 4.762 4.740 -0.002 0.000 0.184 81 N C 0.960 176.515 175.510 0.075 0.000 1.106 81 N CA 1.032 54.106 53.050 0.041 0.000 0.892 81 N CB 0.657 39.159 38.487 0.026 0.000 0.969 81 N HN 0.557 nan 8.380 nan 0.000 0.454 82 G N 0.822 109.693 108.800 0.119 0.000 2.148 82 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.254 82 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.254 82 G C -0.090 174.928 174.900 0.197 0.000 0.981 82 G CA 0.203 45.410 45.100 0.178 0.000 0.670 82 G HN 0.471 nan 8.290 nan 0.000 0.528 83 E N 0.181 120.473 120.200 0.154 0.000 2.259 83 E HA 0.464 4.813 4.350 -0.002 0.000 0.281 83 E C 0.606 177.259 176.600 0.088 0.000 1.027 83 E CA -1.041 55.438 56.400 0.131 0.000 0.838 83 E CB 0.530 30.256 29.700 0.044 0.000 1.066 83 E HN 0.266 nan 8.360 nan 0.000 0.401 84 L N 5.261 126.513 121.223 0.050 0.000 2.525 84 L HA -0.032 4.307 4.340 -0.002 0.000 0.278 84 L C 0.085 176.780 176.870 -0.292 0.000 1.218 84 L CA 0.816 55.435 54.840 -0.369 0.000 0.878 84 L CB 1.325 43.216 42.059 -0.279 0.000 1.127 84 L HN 0.594 nan 8.230 nan 0.000 0.492 85 V N 3.071 122.732 119.914 -0.421 0.000 3.165 85 V HA 0.349 4.468 4.120 -0.002 0.000 0.231 85 V C -0.223 175.648 176.094 -0.371 0.000 1.365 85 V CA 0.327 62.384 62.300 -0.405 0.000 1.286 85 V CB 0.545 32.008 31.823 -0.600 0.000 1.081 85 V HN 0.883 nan 8.190 nan 0.000 0.477 86 K N 0.491 120.669 120.400 -0.371 0.000 2.498 86 K HA 0.585 4.903 4.320 -0.002 0.000 0.254 86 K C -1.193 175.294 176.600 -0.188 0.000 0.933 86 K CA -0.067 56.111 56.287 -0.182 0.000 0.806 86 K CB 2.146 34.575 32.500 -0.120 0.000 1.301 86 K HN 0.142 nan 8.250 nan 0.000 0.432 87 T N 4.683 119.173 114.554 -0.105 0.000 2.809 87 T HA 0.299 4.648 4.350 -0.002 0.000 0.296 87 T C -0.255 174.423 174.700 -0.037 0.000 1.015 87 T CA -0.688 61.358 62.100 -0.090 0.000 0.954 87 T CB 0.463 69.289 68.868 -0.069 0.000 0.950 87 T HN 0.358 nan 8.240 nan 0.000 0.450 88 L N 4.838 126.043 121.223 -0.031 0.000 2.544 88 L HA 0.121 4.460 4.340 -0.002 0.000 0.240 88 L C 1.000 177.873 176.870 0.004 0.000 1.421 88 L CA 0.580 55.416 54.840 -0.008 0.000 1.206 88 L CB -1.044 41.009 42.059 -0.010 0.000 1.463 88 L HN 0.739 nan 8.230 nan 0.000 0.437 89 D N -1.323 119.083 120.400 0.011 0.000 2.398 89 D HA -0.071 4.568 4.640 -0.002 0.000 0.210 89 D C 0.856 177.167 176.300 0.017 0.000 1.094 89 D CA -0.325 53.690 54.000 0.024 0.000 0.839 89 D CB -0.075 40.749 40.800 0.041 0.000 0.963 89 D HN 0.253 nan 8.370 nan 0.000 0.506 90 N N 0.708 119.413 118.700 0.009 0.000 2.725 90 N HA -0.201 4.538 4.740 -0.002 0.000 0.249 90 N C 1.091 176.603 175.510 0.005 0.000 1.103 90 N CA 1.543 54.595 53.050 0.003 0.000 0.707 90 N CB -1.605 36.879 38.487 -0.006 0.000 1.043 90 N HN 0.570 nan 8.380 nan 0.000 0.553 91 G N -1.579 107.228 108.800 0.011 0.000 2.180 91 G HA2 -0.401 3.558 3.960 -0.002 0.000 0.263 91 G HA3 -0.401 3.558 3.960 -0.002 0.000 0.263 91 G C 0.010 174.918 174.900 0.012 0.000 0.989 91 G CA 0.932 46.038 45.100 0.011 0.000 0.692 91 G HN 0.792 nan 8.290 nan 0.000 0.526 92 Q N -0.061 119.752 119.800 0.022 0.000 2.421 92 Q HA 0.462 4.800 4.340 -0.002 0.000 0.255 92 Q C 1.087 177.112 176.000 0.042 0.000 1.013 92 Q CA -0.047 55.773 55.803 0.027 0.000 0.895 92 Q CB 0.280 29.039 28.738 0.035 0.000 1.271 92 Q HN 0.454 nan 8.270 nan 0.000 0.460 93 R N 2.912 123.424 120.500 0.021 0.000 3.701 93 R HA 0.152 4.491 4.340 -0.002 0.000 0.210 93 R C -0.742 175.603 176.300 0.075 0.000 1.598 93 R CA -0.080 56.015 56.100 -0.008 0.000 1.427 93 R CB -0.448 29.772 30.300 -0.133 0.000 1.339 93 R HN 0.499 nan 8.270 nan 0.000 0.720 94 H N -0.041 119.019 119.070 -0.017 0.000 3.086 94 H HA 0.244 4.798 4.556 -0.002 0.000 0.353 94 H C -1.533 173.806 175.328 0.018 0.000 1.134 94 H CA -0.544 55.507 56.048 0.005 0.000 1.248 94 H CB 1.479 31.254 29.762 0.022 0.000 1.878 94 H HN 0.272 nan 8.280 nan 0.000 0.527 95 E N 2.986 122.884 120.200 -0.503 0.000 2.274 95 E HA 0.112 4.461 4.350 -0.002 0.000 0.269 95 E C -1.238 175.131 176.600 -0.384 0.000 0.891 95 E CA -0.794 55.430 56.400 -0.294 0.000 0.784 95 E CB 1.576 31.186 29.700 -0.150 0.000 1.225 95 E HN 0.565 nan 8.360 nan 0.000 0.412 96 H N 2.889 121.797 119.070 -0.271 0.000 2.928 96 H HA 0.238 4.793 4.556 -0.002 0.000 0.338 96 H C -1.113 174.162 175.328 -0.089 0.000 1.047 96 H CA 0.087 56.057 56.048 -0.129 0.000 1.435 96 H CB 0.985 30.764 29.762 0.027 0.000 1.428 96 H HN 0.230 nan 8.280 nan 0.000 0.590 97 V N 5.766 125.386 119.914 -0.491 0.000 2.577 97 V HA 0.157 4.276 4.120 -0.002 0.000 0.303 97 V C -0.696 175.082 176.094 -0.526 0.000 1.042 97 V CA -0.776 61.235 62.300 -0.483 0.000 0.872 97 V CB 1.848 33.537 31.823 -0.223 0.000 0.998 97 V HN 0.937 nan 8.190 nan 0.000 0.423 98 N N 3.663 122.099 118.700 -0.440 0.000 2.482 98 N HA 0.159 4.898 4.740 -0.002 0.000 0.260 98 N C 0.777 176.230 175.510 -0.095 0.000 1.236 98 N CA -0.426 52.526 53.050 -0.164 0.000 0.938 98 N CB 0.952 39.392 38.487 -0.079 0.000 1.128 98 N HN 0.679 nan 8.380 nan 0.000 0.448 99 L N 2.880 124.083 121.223 -0.032 0.000 2.093 99 L HA -0.151 4.188 4.340 -0.002 0.000 0.208 99 L C 2.180 179.011 176.870 -0.065 0.000 1.085 99 L CA 1.638 56.437 54.840 -0.069 0.000 0.755 99 L CB -0.517 41.529 42.059 -0.021 0.000 0.904 99 L HN 0.624 nan 8.230 nan 0.000 0.435 100 K N -1.563 118.821 120.400 -0.026 0.000 2.147 100 K HA -0.169 4.150 4.320 -0.002 0.000 0.205 100 K C 1.040 177.617 176.600 -0.037 0.000 1.049 100 K CA 1.692 57.967 56.287 -0.020 0.000 0.936 100 K CB -0.511 31.988 32.500 -0.001 0.000 0.722 100 K HN 0.244 nan 8.250 nan 0.000 0.446 101 D N 1.262 121.630 120.400 -0.054 0.000 2.363 101 D HA 0.019 4.658 4.640 -0.002 0.000 0.226 101 D C 0.002 176.259 176.300 -0.071 0.000 1.020 101 D CA 0.318 54.282 54.000 -0.061 0.000 0.892 101 D CB 0.207 40.963 40.800 -0.074 0.000 0.900 101 D HN 0.004 nan 8.370 nan 0.000 0.531 102 V N 3.214 123.076 119.914 -0.087 0.000 2.465 102 V HA 0.205 4.324 4.120 -0.002 0.000 0.279 102 V C -1.977 174.076 176.094 -0.070 0.000 1.045 102 V CA -1.626 60.617 62.300 -0.095 0.000 0.938 102 V CB 1.422 33.156 31.823 -0.148 0.000 0.986 102 V HN -0.033 nan 8.190 nan 0.000 0.467 103 P HA 0.120 nan 4.420 nan 0.000 0.271 103 P C 0.389 177.677 177.300 -0.019 0.000 1.216 103 P CA -0.376 62.706 63.100 -0.030 0.000 0.776 103 P CB 1.067 32.753 31.700 -0.024 0.000 0.881 104 K N 2.748 123.145 120.400 -0.006 0.000 2.059 104 K HA -0.119 4.199 4.320 -0.002 0.000 0.212 104 K C 0.681 177.297 176.600 0.026 0.000 1.050 104 K CA 1.599 57.895 56.287 0.014 0.000 0.927 104 K CB -0.921 31.585 32.500 0.011 0.000 0.714 104 K HN 0.435 nan 8.250 nan 0.000 0.447 108 D N 2.088 122.573 120.400 0.143 0.000 2.108 108 D HA -0.143 4.496 4.640 -0.002 0.000 0.190 108 D C 1.787 178.142 176.300 0.092 0.000 0.995 108 D CA 2.028 56.093 54.000 0.109 0.000 0.834 108 D CB -0.357 40.483 40.800 0.066 0.000 0.967 108 D HN 0.338 nan 8.370 nan 0.000 0.446 109 A N 0.515 123.384 122.820 0.081 0.000 1.958 109 A HA -0.214 4.104 4.320 -0.002 0.000 0.221 109 A C 2.518 180.153 177.584 0.085 0.000 1.178 109 A CA 1.839 53.919 52.037 0.071 0.000 0.642 109 A CB -0.855 18.184 19.000 0.064 0.000 0.816 109 A HN 0.172 nan 8.150 nan 0.000 0.453 110 V N -0.127 119.865 119.914 0.131 0.000 2.229 110 V HA -0.259 3.859 4.120 -0.002 0.000 0.243 110 V C 2.540 178.649 176.094 0.025 0.000 1.042 110 V CA 1.938 64.326 62.300 0.148 0.000 1.000 110 V CB -0.923 31.087 31.823 0.311 0.000 0.637 110 V HN 0.590 nan 8.190 nan 0.000 0.446 111 L N 0.216 121.436 121.223 -0.005 0.000 1.997 111 L HA -0.280 4.059 4.340 -0.002 0.000 0.216 111 L C 2.783 179.576 176.870 -0.127 0.000 1.074 111 L CA 1.971 56.711 54.840 -0.166 0.000 0.763 111 L CB -0.925 41.066 42.059 -0.113 0.000 0.890 111 L HN 0.414 nan 8.230 nan 0.000 0.434 112 A N -1.054 121.742 122.820 -0.041 0.000 1.917 112 A HA -0.259 4.060 4.320 -0.002 0.000 0.219 112 A C 2.338 179.962 177.584 0.067 0.000 1.182 112 A CA 2.660 54.707 52.037 0.017 0.000 0.633 112 A CB -0.914 18.135 19.000 0.083 0.000 0.819 112 A HN 0.433 nan 8.150 nan 0.000 0.448 113 T N -2.057 112.519 114.554 0.036 0.000 2.978 113 T HA 0.033 4.382 4.350 -0.002 0.000 0.262 113 T C 1.839 176.548 174.700 0.015 0.000 1.063 113 T CA 1.656 63.783 62.100 0.046 0.000 1.140 113 T CB 0.025 68.919 68.868 0.043 0.000 0.886 113 T HN 0.584 nan 8.240 nan 0.000 0.470 114 E N 0.149 120.318 120.200 -0.053 0.000 2.357 114 E HA 0.126 4.475 4.350 -0.002 0.000 0.202 114 E C -0.262 176.236 176.600 -0.171 0.000 0.855 114 E CA 0.242 56.585 56.400 -0.096 0.000 1.048 114 E CB 0.759 30.384 29.700 -0.125 0.000 1.037 114 E HN 0.102 nan 8.360 nan 0.000 0.499 115 D N -0.365 119.871 120.400 -0.274 0.000 2.472 115 D HA 0.155 4.794 4.640 -0.002 0.000 0.248 115 D C -0.129 175.979 176.300 -0.320 0.000 1.271 115 D CA -0.099 53.717 54.000 -0.307 0.000 0.888 115 D CB -0.022 40.526 40.800 -0.421 0.000 1.337 115 D HN -0.030 nan 8.370 nan 0.000 0.526 116 N N 1.238 119.747 118.700 -0.319 0.000 2.104 116 N HA -0.111 4.628 4.740 -0.002 0.000 0.190 116 N C 0.613 175.988 175.510 -0.226 0.000 1.024 116 N CA 1.165 54.004 53.050 -0.351 0.000 0.853 116 N CB 0.267 38.320 38.487 -0.724 0.000 1.008 116 N HN 0.241 nan 8.380 nan 0.000 0.424 117 R N 0.336 120.713 120.500 -0.206 0.000 4.031 117 R HA 0.041 4.380 4.340 -0.002 0.000 0.269 117 R C 0.522 176.687 176.300 -0.225 0.000 1.668 117 R CA -0.212 55.815 56.100 -0.122 0.000 1.432 117 R CB -0.766 29.516 30.300 -0.030 0.000 1.374 117 R HN 0.396 nan 8.270 nan 0.000 0.681 118 F N -0.258 119.410 119.950 -0.470 0.000 2.234 118 F HA -0.126 4.400 4.527 -0.002 0.000 0.296 118 F C 1.032 176.533 175.800 -0.498 0.000 1.089 118 F CA 1.211 58.761 58.000 -0.750 0.000 1.343 118 F CB 0.136 38.619 39.000 -0.862 0.000 1.040 118 F HN 0.083 nan 8.300 nan 0.000 0.498 119 Y N 0.412 120.466 120.300 -0.409 0.000 2.546 119 Y HA 0.016 4.565 4.550 -0.002 0.000 0.287 119 Y C 1.588 177.330 175.900 -0.263 0.000 1.158 119 Y CA 0.196 58.054 58.100 -0.403 0.000 1.307 119 Y CB -0.067 38.295 38.460 -0.163 0.000 1.036 119 Y HN 0.137 nan 8.280 nan 0.000 0.532 120 E N -1.790 118.368 120.200 -0.071 0.000 2.402 120 E HA 0.127 4.475 4.350 -0.002 0.000 0.261 120 E C 0.548 177.118 176.600 -0.049 0.000 0.823 120 E CA 0.731 57.108 56.400 -0.039 0.000 1.205 120 E CB -0.372 29.320 29.700 -0.014 0.000 1.431 120 E HN 0.199 nan 8.360 nan 0.000 0.518 121 H N -1.985 116.966 119.070 -0.199 0.000 1.452 121 H HA -0.272 4.283 4.556 -0.002 0.000 0.090 121 H C 0.946 176.103 175.328 -0.286 0.000 1.382 121 H CA 2.379 58.266 56.048 -0.267 0.000 1.901 121 H CB -1.204 28.368 29.762 -0.316 0.000 2.257 121 H HN 0.508 nan 8.280 nan 0.000 0.961 122 G N -1.874 106.776 108.800 -0.249 0.000 3.826 122 G HA2 0.387 4.345 3.960 -0.002 0.000 0.194 122 G HA3 0.387 4.345 3.960 -0.002 0.000 0.194 122 G C -0.171 174.497 174.900 -0.387 0.000 2.087 122 G CA 0.809 45.738 45.100 -0.284 0.000 1.230 122 G HN 1.622 nan 8.290 nan 0.000 0.393 123 A N -0.589 121.860 122.820 -0.618 0.000 2.913 123 A HA 0.769 5.087 4.320 -0.002 0.000 0.284 123 A C -0.282 176.953 177.584 -0.582 0.000 1.273 123 A CA 0.462 52.117 52.037 -0.637 0.000 0.899 123 A CB 0.155 18.455 19.000 -1.168 0.000 1.444 123 A HN 2.246 nan 8.150 nan 0.000 0.586 124 L N 0.091 121.002 121.223 -0.519 0.000 0.610 124 L HA -0.140 4.199 4.340 -0.002 0.000 0.357 124 L C 0.619 177.031 176.870 -0.765 0.000 1.004 124 L CA 1.117 55.699 54.840 -0.429 0.000 1.222 124 L CB -0.643 41.307 42.059 -0.181 0.000 0.146 124 L HN 0.774 nan 8.230 nan 0.000 0.122 125 D N 3.039 123.133 120.400 -0.511 0.000 2.158 125 D HA -0.179 4.460 4.640 -0.002 0.000 0.197 125 D C 0.939 177.048 176.300 -0.318 0.000 0.995 125 D CA 2.382 56.149 54.000 -0.388 0.000 0.846 125 D CB 0.102 40.882 40.800 -0.033 0.000 0.941 125 D HN 0.631 nan 8.370 nan 0.000 0.456 126 Y N -1.372 118.886 120.300 -0.069 0.000 2.738 126 Y HA -0.348 4.201 4.550 -0.002 0.000 0.480 126 Y C 1.864 177.804 175.900 0.067 0.000 1.246 126 Y CA 1.138 59.242 58.100 0.006 0.000 2.651 126 Y CB -1.678 36.785 38.460 0.005 0.000 0.998 126 Y HN 0.041 nan 8.280 nan 0.000 0.546 127 K N 0.682 121.214 120.400 0.219 0.000 2.209 127 K HA -0.077 4.242 4.320 -0.002 0.000 0.204 127 K C 1.674 178.391 176.600 0.195 0.000 1.048 127 K CA 1.582 57.967 56.287 0.164 0.000 0.940 127 K CB -0.243 32.298 32.500 0.068 0.000 0.729 127 K HN 0.404 nan 8.250 nan 0.000 0.451 128 R N -0.042 120.546 120.500 0.148 0.000 2.299 128 R HA 0.038 4.377 4.340 -0.002 0.000 0.197 128 R C 1.289 177.667 176.300 0.131 0.000 0.971 128 R CA 0.198 56.378 56.100 0.133 0.000 1.030 128 R CB 0.156 30.515 30.300 0.097 0.000 0.932 128 R HN 0.029 nan 8.270 nan 0.000 0.477 129 L N -0.688 120.630 121.223 0.159 0.000 2.590 129 L HA 0.145 4.484 4.340 -0.002 0.000 0.227 129 L C 1.307 178.270 176.870 0.155 0.000 1.099 129 L CA 0.656 55.579 54.840 0.138 0.000 0.872 129 L CB -0.122 42.026 42.059 0.148 0.000 1.088 129 L HN 0.019 nan 8.230 nan 0.000 0.479 130 F N -0.104 119.883 119.950 0.061 0.000 2.084 130 F HA 0.005 4.531 4.527 -0.001 0.000 0.296 130 F C 2.088 177.909 175.800 0.036 0.000 1.111 130 F CA 1.877 59.903 58.000 0.044 0.000 1.224 130 F CB -0.413 38.616 39.000 0.048 0.000 0.991 130 F HN 0.057 nan 8.300 nan 0.000 0.471 131 G N -0.673 108.230 108.800 0.172 0.000 2.453 131 G HA2 -0.037 3.922 3.960 -0.002 0.000 0.215 131 G HA3 -0.037 3.922 3.960 -0.002 0.000 0.215 131 G C 1.713 176.611 174.900 -0.003 0.000 1.147 131 G CA 0.508 45.639 45.100 0.051 0.000 0.802 131 G HN 0.589 nan 8.290 nan 0.000 0.535 132 A N 1.571 124.410 122.820 0.030 0.000 1.930 132 A HA 0.008 4.327 4.320 -0.002 0.000 0.217 132 A C 2.392 179.968 177.584 -0.014 0.000 1.175 132 A CA 1.415 53.462 52.037 0.017 0.000 0.627 132 A CB -0.445 18.576 19.000 0.036 0.000 0.815 132 A HN 0.692 nan 8.150 nan 0.000 0.443 133 I N -2.423 118.127 120.570 -0.033 0.000 2.493 133 I HA -0.006 4.162 4.170 -0.002 0.000 0.254 133 I C 2.055 178.124 176.117 -0.080 0.000 1.160 133 I CA 1.335 62.603 61.300 -0.053 0.000 1.445 133 I CB -0.962 37.003 38.000 -0.058 0.000 1.086 133 I HN 0.149 nan 8.210 nan 0.000 0.433 134 G N 1.618 110.346 108.800 -0.120 0.000 2.516 134 G HA2 -0.230 3.728 3.960 -0.002 0.000 0.221 134 G HA3 -0.230 3.728 3.960 -0.002 0.000 0.221 134 G C 1.639 176.499 174.900 -0.067 0.000 1.107 134 G CA 0.799 45.824 45.100 -0.124 0.000 0.747 134 G HN 0.509 nan 8.290 nan 0.000 0.567 135 K N -0.443 119.930 120.400 -0.045 0.000 2.076 135 K HA 0.059 4.378 4.320 -0.002 0.000 0.204 135 K C 0.576 177.159 176.600 -0.028 0.000 1.051 135 K CA 0.671 56.941 56.287 -0.028 0.000 0.949 135 K CB 0.055 32.544 32.500 -0.017 0.000 0.726 135 K HN 0.264 nan 8.250 nan 0.000 0.443 146 A N -1.029 121.808 122.820 0.028 0.000 2.610 146 A HA 0.969 5.288 4.320 -0.002 0.000 0.291 146 A C -0.368 177.232 177.584 0.027 0.000 1.086 146 A CA 0.652 52.707 52.037 0.030 0.000 0.677 146 A CB 1.267 20.291 19.000 0.041 0.000 1.278 146 A HN 2.226 nan 8.150 nan 0.000 0.414 147 S N -0.691 115.021 115.700 0.021 0.000 2.688 147 S HA 0.858 5.327 4.470 -0.002 0.000 0.275 147 S C -0.531 174.070 174.600 0.002 0.000 1.175 147 S CA 0.060 58.269 58.200 0.015 0.000 0.818 147 S CB 1.340 64.546 63.200 0.010 0.000 1.157 147 S HN 2.062 nan 8.310 nan 0.000 0.482 148 T N 0.320 114.877 114.554 0.005 0.000 2.885 148 T HA 0.544 4.893 4.350 -0.002 0.000 0.285 148 T C 0.999 175.637 174.700 -0.104 0.000 1.019 148 T CA -0.740 61.357 62.100 -0.005 0.000 1.010 148 T CB 0.765 69.788 68.868 0.259 0.000 1.022 148 T HN 0.480 nan 8.240 nan 0.000 0.466 149 L N 3.666 124.703 121.223 -0.310 0.000 2.011 149 L HA -0.155 4.184 4.340 -0.002 0.000 0.225 149 L C 2.964 179.714 176.870 -0.201 0.000 1.084 149 L CA 2.587 57.113 54.840 -0.524 0.000 0.791 149 L CB -1.487 39.889 42.059 -1.139 0.000 0.898 149 L HN 0.888 nan 8.230 nan 0.000 0.440 150 T N -0.645 113.889 114.554 -0.032 0.000 2.597 150 T HA -0.333 4.016 4.350 -0.002 0.000 0.267 150 T C 1.697 176.396 174.700 -0.003 0.000 1.053 150 T CA 2.023 64.145 62.100 0.037 0.000 1.165 150 T CB -0.475 68.426 68.868 0.054 0.000 0.863 150 T HN 0.668 nan 8.240 nan 0.000 0.427 151 Q N 0.951 120.741 119.800 -0.017 0.000 2.123 151 Q HA -0.081 4.257 4.340 -0.002 0.000 0.199 151 Q C 2.341 178.346 176.000 0.009 0.000 0.966 151 Q CA 1.189 56.982 55.803 -0.016 0.000 0.845 151 Q CB -0.409 28.310 28.738 -0.030 0.000 0.907 151 Q HN 0.527 nan 8.270 nan 0.000 0.439 152 Q N 0.644 120.451 119.800 0.013 0.000 2.152 152 Q HA -0.165 4.174 4.340 -0.002 0.000 0.206 152 Q C 2.085 178.148 176.000 0.105 0.000 0.985 152 Q CA 2.148 57.988 55.803 0.062 0.000 0.863 152 Q CB 0.034 28.823 28.738 0.086 0.000 0.904 152 Q HN 0.368 nan 8.270 nan 0.000 0.422 153 V N -0.682 119.297 119.914 0.109 0.000 2.379 153 V HA -0.215 3.904 4.120 -0.002 0.000 0.245 153 V C 2.199 178.325 176.094 0.054 0.000 1.044 153 V CA 1.322 63.689 62.300 0.113 0.000 1.036 153 V CB -0.366 31.522 31.823 0.108 0.000 0.664 153 V HN 0.237 nan 8.190 nan 0.000 0.453 154 V N 0.496 120.428 119.914 0.030 0.000 2.332 154 V HA -0.359 3.759 4.120 -0.002 0.000 0.248 154 V C 2.471 178.578 176.094 0.023 0.000 1.055 154 V CA 2.563 64.874 62.300 0.018 0.000 1.038 154 V CB -0.770 31.059 31.823 0.010 0.000 0.651 154 V HN 0.637 nan 8.190 nan 0.000 0.450 155 K N 0.195 120.607 120.400 0.019 0.000 2.113 155 K HA -0.257 4.061 4.320 -0.002 0.000 0.208 155 K C 1.446 178.059 176.600 0.021 0.000 1.047 155 K CA 2.220 58.509 56.287 0.003 0.000 0.928 155 K CB -0.243 32.259 32.500 0.003 0.000 0.716 155 K HN 0.451 nan 8.250 nan 0.000 0.446 156 D N 0.046 120.474 120.400 0.047 0.000 2.349 156 D HA 0.027 4.666 4.640 -0.002 0.000 0.224 156 D C 0.224 176.576 176.300 0.087 0.000 1.029 156 D CA 0.555 54.596 54.000 0.069 0.000 0.879 156 D CB 0.391 41.224 40.800 0.055 0.000 0.906 156 D HN 0.312 nan 8.370 nan 0.000 0.528 157 A N 0.635 123.499 122.820 0.073 0.000 3.033 157 A HA 0.147 4.466 4.320 -0.002 0.000 0.250 157 A C 0.049 177.727 177.584 0.156 0.000 1.633 157 A CA -0.531 51.558 52.037 0.087 0.000 1.290 157 A CB -1.760 17.268 19.000 0.047 0.000 1.048 157 A HN 0.234 nan 8.150 nan 0.000 0.648 158 F N -0.195 119.752 119.950 -0.005 0.000 2.068 158 F HA -0.209 4.317 4.527 -0.002 0.000 0.146 158 F C -0.119 175.685 175.800 0.007 0.000 1.001 158 F CA 0.389 58.387 58.000 -0.004 0.000 0.708 158 F CB 0.027 39.022 39.000 -0.009 0.000 0.761 158 F HN 0.388 nan 8.300 nan 0.000 0.770 159 L N 6.183 127.219 121.223 -0.311 0.000 2.843 159 L HA 0.305 4.643 4.340 -0.002 0.000 0.234 159 L C 0.630 177.216 176.870 -0.473 0.000 1.264 159 L CA -0.062 54.595 54.840 -0.306 0.000 1.052 159 L CB -0.440 41.543 42.059 -0.127 0.000 1.372 159 L HN 0.831 nan 8.230 nan 0.000 0.466 160 S N 0.280 115.424 115.700 -0.927 0.000 3.654 160 S HA -0.261 4.207 4.470 -0.002 0.000 0.640 160 S C 0.634 174.968 174.600 -0.443 0.000 2.223 160 S CA 0.370 58.160 58.200 -0.682 0.000 2.391 160 S CB -0.236 62.808 63.200 -0.261 0.000 0.328 160 S HN 0.612 nan 8.310 nan 0.000 1.790 161 Q N -0.248 119.443 119.800 -0.181 0.000 2.280 161 Q HA 0.289 4.627 4.340 -0.002 0.000 0.228 161 Q C 0.339 176.336 176.000 -0.004 0.000 0.857 161 Q CA 0.464 56.229 55.803 -0.063 0.000 0.939 161 Q CB 0.354 29.098 28.738 0.010 0.000 1.114 161 Q HN 0.642 nan 8.270 nan 0.000 0.514 162 H N 0.642 119.664 119.070 -0.080 0.000 2.562 162 H HA 0.139 4.693 4.556 -0.002 0.000 0.352 162 H C 0.331 175.622 175.328 -0.062 0.000 1.125 162 H CA 0.552 56.567 56.048 -0.056 0.000 1.379 162 H CB 0.922 30.658 29.762 -0.044 0.000 1.464 162 H HN 0.118 nan 8.280 nan 0.000 0.563 163 K N 0.834 120.957 120.400 -0.462 0.000 3.857 163 K HA 0.131 4.450 4.320 -0.002 0.000 0.259 163 K C 0.364 176.800 176.600 -0.273 0.000 1.373 163 K CA -0.366 55.762 56.287 -0.266 0.000 1.484 163 K CB -0.285 32.101 32.500 -0.190 0.000 2.418 163 K HN 0.383 nan 8.250 nan 0.000 0.500 164 S N 1.597 117.136 115.700 -0.269 0.000 3.254 164 S HA -0.158 4.311 4.470 -0.002 0.000 0.327 164 S C 0.657 175.220 174.600 -0.061 0.000 0.892 164 S CA 0.697 58.806 58.200 -0.150 0.000 1.357 164 S CB -1.972 61.138 63.200 -0.150 0.000 1.022 164 S HN 0.829 nan 8.310 nan 0.000 0.524 165 I N -1.525 119.019 120.570 -0.044 0.000 4.048 165 I HA -0.326 3.843 4.170 -0.002 0.000 0.269 165 I C 0.906 177.024 176.117 0.002 0.000 1.179 165 I CA 1.685 62.977 61.300 -0.012 0.000 1.565 165 I CB -1.757 36.242 38.000 -0.001 0.000 1.894 165 I HN 0.521 nan 8.210 nan 0.000 0.403 166 G N 1.044 109.843 108.800 -0.003 0.000 2.641 166 G HA2 0.013 3.972 3.960 -0.002 0.000 0.211 166 G HA3 0.013 3.972 3.960 -0.002 0.000 0.211 166 G C 1.290 176.195 174.900 0.009 0.000 1.190 166 G CA 0.578 45.691 45.100 0.022 0.000 0.842 166 G HN 0.473 nan 8.290 nan 0.000 0.585 167 R N 0.834 121.325 120.500 -0.015 0.000 2.096 167 R HA -0.120 4.219 4.340 -0.002 0.000 0.240 167 R C 2.418 178.712 176.300 -0.009 0.000 1.139 167 R CA 1.891 57.973 56.100 -0.029 0.000 0.952 167 R CB -0.291 29.972 30.300 -0.061 0.000 0.854 167 R HN 0.260 nan 8.270 nan 0.000 0.436 168 K N -0.233 120.162 120.400 -0.008 0.000 2.209 168 K HA -0.099 4.219 4.320 -0.002 0.000 0.204 168 K C 2.038 178.659 176.600 0.035 0.000 1.048 168 K CA 1.211 57.504 56.287 0.010 0.000 0.940 168 K CB -0.090 32.413 32.500 0.004 0.000 0.729 168 K HN 0.271 nan 8.250 nan 0.000 0.451 169 A N 1.569 124.410 122.820 0.036 0.000 1.855 169 A HA -0.225 4.094 4.320 -0.002 0.000 0.215 169 A C 2.079 179.713 177.584 0.082 0.000 1.191 169 A CA 1.333 53.403 52.037 0.055 0.000 0.613 169 A CB -0.407 18.615 19.000 0.038 0.000 0.829 169 A HN 0.275 nan 8.150 nan 0.000 0.442 170 Q N -0.701 119.140 119.800 0.067 0.000 2.049 170 Q HA -0.154 4.185 4.340 -0.002 0.000 0.198 170 Q C 2.077 178.143 176.000 0.111 0.000 0.971 170 Q CA 1.357 57.217 55.803 0.093 0.000 0.833 170 Q CB -0.277 28.496 28.738 0.058 0.000 0.896 170 Q HN 0.827 nan 8.270 nan 0.000 0.434 171 E N 0.879 121.117 120.200 0.064 0.000 2.108 171 E HA -0.324 4.024 4.350 -0.002 0.000 0.203 171 E C 1.862 178.500 176.600 0.062 0.000 1.022 171 E CA 1.467 57.895 56.400 0.047 0.000 0.823 171 E CB -0.164 29.548 29.700 0.021 0.000 0.744 171 E HN 0.387 nan 8.360 nan 0.000 0.456 172 A N -0.267 122.609 122.820 0.094 0.000 1.930 172 A HA -0.182 4.137 4.320 -0.002 0.000 0.217 172 A C 2.029 179.745 177.584 0.219 0.000 1.175 172 A CA 1.511 53.621 52.037 0.121 0.000 0.627 172 A CB -0.800 18.290 19.000 0.151 0.000 0.815 172 A HN 0.616 nan 8.150 nan 0.000 0.443 173 Y N 0.070 120.455 120.300 0.143 0.000 2.206 173 Y HA 0.005 4.554 4.550 -0.001 0.000 0.292 173 Y C 1.974 177.968 175.900 0.158 0.000 1.123 173 Y CA 1.396 59.608 58.100 0.187 0.000 1.142 173 Y CB -0.188 38.338 38.460 0.111 0.000 1.006 173 Y HN 0.180 nan 8.280 nan 0.000 0.518 174 L N -0.457 120.846 121.223 0.135 0.000 2.043 174 L HA -0.319 4.019 4.340 -0.002 0.000 0.212 174 L C 2.823 179.665 176.870 -0.048 0.000 1.075 174 L CA 1.689 56.552 54.840 0.037 0.000 0.752 174 L CB -0.900 41.205 42.059 0.076 0.000 0.891 174 L HN 0.299 nan 8.230 nan 0.000 0.432 175 S N -0.728 114.942 115.700 -0.051 0.000 2.359 175 S HA -0.269 4.200 4.470 -0.002 0.000 0.222 175 S C 2.034 176.543 174.600 -0.152 0.000 1.038 175 S CA 1.608 59.739 58.200 -0.116 0.000 1.051 175 S CB -0.445 62.644 63.200 -0.186 0.000 0.944 175 S HN 0.370 nan 8.310 nan 0.000 0.433 176 Y N 1.656 121.855 120.300 -0.168 0.000 2.151 176 Y HA -0.074 4.474 4.550 -0.003 0.000 0.284 176 Y C 2.800 178.565 175.900 -0.224 0.000 1.166 176 Y CA 1.892 59.874 58.100 -0.197 0.000 1.163 176 Y CB -0.506 37.807 38.460 -0.245 0.000 0.974 176 Y HN 0.267 nan 8.280 nan 0.000 0.511 177 R N 0.212 120.603 120.500 -0.182 0.000 2.073 177 R HA -0.179 4.159 4.340 -0.002 0.000 0.234 177 R C 2.285 178.581 176.300 -0.006 0.000 1.134 177 R CA 1.596 57.606 56.100 -0.149 0.000 0.952 177 R CB -0.655 29.520 30.300 -0.207 0.000 0.850 177 R HN 0.418 nan 8.270 nan 0.000 0.433 178 L N 0.870 122.094 121.223 0.001 0.000 2.141 178 L HA -0.128 4.211 4.340 -0.002 0.000 0.209 178 L C 1.998 178.934 176.870 0.110 0.000 1.094 178 L CA 1.545 56.424 54.840 0.064 0.000 0.763 178 L CB -0.120 41.937 42.059 -0.004 0.000 0.908 178 L HN 0.197 nan 8.230 nan 0.000 0.437 179 E N -0.474 119.752 120.200 0.043 0.000 2.268 179 E HA -0.234 4.115 4.350 -0.002 0.000 0.195 179 E C 2.061 178.696 176.600 0.059 0.000 0.995 179 E CA 1.045 57.469 56.400 0.039 0.000 0.836 179 E CB 0.110 29.793 29.700 -0.027 0.000 0.763 179 E HN 0.556 nan 8.360 nan 0.000 0.491 180 Q N -0.832 119.005 119.800 0.062 0.000 2.398 180 Q HA 0.011 4.350 4.340 -0.002 0.000 0.204 180 Q C 1.308 177.343 176.000 0.058 0.000 0.932 180 Q CA 0.625 56.459 55.803 0.052 0.000 0.916 180 Q CB 0.387 29.149 28.738 0.039 0.000 1.024 180 Q HN 0.292 nan 8.270 nan 0.000 0.504 181 E N -1.186 119.081 120.200 0.112 0.000 2.290 181 E HA 0.034 4.383 4.350 -0.002 0.000 0.197 181 E C -0.571 176.016 176.600 -0.022 0.000 0.948 181 E CA 0.326 56.781 56.400 0.093 0.000 0.895 181 E CB 0.615 30.456 29.700 0.235 0.000 0.865 181 E HN 0.103 nan 8.360 nan 0.000 0.486 182 Y N 0.568 120.889 120.300 0.036 0.000 2.446 182 Y HA 0.234 4.783 4.550 -0.002 0.000 0.345 182 Y C 0.363 176.295 175.900 0.053 0.000 0.984 182 Y CA -1.324 56.807 58.100 0.052 0.000 1.058 182 Y CB 1.700 40.199 38.460 0.065 0.000 1.220 182 Y HN -0.135 nan 8.280 nan 0.000 0.455 183 S N 1.895 117.703 115.700 0.179 0.000 2.624 183 S HA 0.197 4.666 4.470 -0.002 0.000 0.263 183 S C 0.993 175.703 174.600 0.183 0.000 1.287 183 S CA -0.754 57.531 58.200 0.141 0.000 0.990 183 S CB 0.989 64.263 63.200 0.124 0.000 0.950 183 S HN 0.624 nan 8.310 nan 0.000 0.561 184 K N 0.785 121.267 120.400 0.137 0.000 2.103 184 K HA -0.109 4.210 4.320 -0.002 0.000 0.207 184 K C 1.353 178.171 176.600 0.363 0.000 1.048 184 K CA 1.524 57.881 56.287 0.117 0.000 0.930 184 K CB -0.676 31.736 32.500 -0.147 0.000 0.716 184 K HN 0.650 nan 8.250 nan 0.000 0.444 185 D N 1.112 121.738 120.400 0.378 0.000 2.103 185 D HA -0.114 4.525 4.640 -0.002 0.000 0.199 185 D C 1.451 177.949 176.300 0.330 0.000 0.978 185 D CA 0.978 55.222 54.000 0.405 0.000 0.829 185 D CB -0.263 40.726 40.800 0.315 0.000 0.981 185 D HN 0.102 nan 8.370 nan 0.000 0.464 186 D N 0.139 120.711 120.400 0.287 0.000 2.182 186 D HA -0.105 4.534 4.640 -0.002 0.000 0.201 186 D C 2.141 178.607 176.300 0.276 0.000 0.986 186 D CA 0.443 54.618 54.000 0.292 0.000 0.847 186 D CB -0.135 40.883 40.800 0.363 0.000 0.942 186 D HN 0.311 nan 8.370 nan 0.000 0.467 187 I N -0.289 120.451 120.570 0.283 0.000 2.277 187 I HA -0.196 3.973 4.170 -0.002 0.000 0.243 187 I C 2.104 178.362 176.117 0.234 0.000 1.094 187 I CA 0.336 61.769 61.300 0.221 0.000 1.393 187 I CB -0.131 38.012 38.000 0.238 0.000 1.078 187 I HN -0.092 nan 8.210 nan 0.000 0.417 188 F N 1.911 121.877 119.950 0.026 0.000 2.161 188 F HA -0.273 4.252 4.527 -0.002 0.000 0.300 188 F C 2.569 178.419 175.800 0.083 0.000 1.089 188 F CA 1.778 59.718 58.000 -0.100 0.000 1.282 188 F CB -0.759 38.181 39.000 -0.099 0.000 1.010 188 F HN 0.149 nan 8.300 nan 0.000 0.485 189 Q N -0.314 119.653 119.800 0.277 0.000 1.993 189 Q HA -0.157 4.182 4.340 -0.002 0.000 0.202 189 Q C 2.281 178.406 176.000 0.207 0.000 0.984 189 Q CA 2.217 58.125 55.803 0.175 0.000 0.837 189 Q CB -0.422 28.426 28.738 0.183 0.000 0.902 189 Q HN 0.195 nan 8.270 nan 0.000 0.423 190 V N 0.575 120.611 119.914 0.203 0.000 2.380 190 V HA -0.294 3.824 4.120 -0.002 0.000 0.251 190 V C 1.962 178.170 176.094 0.191 0.000 1.063 190 V CA 2.151 64.549 62.300 0.163 0.000 1.055 190 V CB -0.738 31.143 31.823 0.098 0.000 0.657 190 V HN 0.502 nan 8.190 nan 0.000 0.455 191 Y N 0.324 120.689 120.300 0.109 0.000 2.049 191 Y HA -0.252 4.297 4.550 -0.002 0.000 0.277 191 Y C 2.188 178.174 175.900 0.144 0.000 1.143 191 Y CA 1.946 60.112 58.100 0.110 0.000 1.115 191 Y CB -0.208 38.319 38.460 0.112 0.000 0.975 191 Y HN 0.145 nan 8.280 nan 0.000 0.487 192 L N 0.838 122.218 121.223 0.261 0.000 2.642 192 L HA -0.191 4.148 4.340 -0.002 0.000 0.236 192 L C 1.338 178.263 176.870 0.093 0.000 1.169 192 L CA 0.612 55.531 54.840 0.133 0.000 0.851 192 L CB -0.462 41.622 42.059 0.041 0.000 0.968 192 L HN 0.421 nan 8.230 nan 0.000 0.453 193 N N -0.676 118.103 118.700 0.130 0.000 2.510 193 N HA 0.001 4.739 4.740 -0.002 0.000 0.186 193 N C 1.584 177.241 175.510 0.245 0.000 1.051 193 N CA 0.561 53.728 53.050 0.195 0.000 0.877 193 N CB 0.308 38.953 38.487 0.263 0.000 1.183 193 N HN 0.281 nan 8.380 nan 0.000 0.443 194 K N 1.151 121.632 120.400 0.136 0.000 2.166 194 K HA 0.150 4.469 4.320 -0.002 0.000 0.201 194 K C 1.230 177.884 176.600 0.090 0.000 1.052 194 K CA 0.029 56.377 56.287 0.103 0.000 0.969 194 K CB 0.264 32.794 32.500 0.050 0.000 0.761 194 K HN 0.224 nan 8.250 nan 0.000 0.459 195 I N -1.123 119.441 120.570 -0.011 0.000 3.045 195 I HA -0.072 4.097 4.170 -0.002 0.000 0.288 195 I C -0.000 176.182 176.117 0.108 0.000 1.238 195 I CA -0.218 61.039 61.300 -0.072 0.000 1.396 195 I CB 0.165 37.925 38.000 -0.400 0.000 1.355 195 I HN -0.064 nan 8.210 nan 0.000 0.601 196 Y N 4.292 124.517 120.300 -0.125 0.000 2.352 196 Y HA 0.340 4.889 4.550 -0.002 0.000 0.326 196 Y C -0.561 175.252 175.900 -0.145 0.000 1.166 196 Y CA -0.611 57.477 58.100 -0.020 0.000 1.182 196 Y CB 1.142 39.588 38.460 -0.024 0.000 1.216 196 Y HN 0.566 nan 8.280 nan 0.000 0.474 197 Y N 3.050 122.980 120.300 -0.617 0.000 2.719 197 Y HA 0.262 4.811 4.550 -0.002 0.000 0.251 197 Y C 0.405 176.062 175.900 -0.404 0.000 1.159 197 Y CA 0.199 58.091 58.100 -0.347 0.000 1.166 197 Y CB 0.291 38.709 38.460 -0.071 0.000 1.219 197 Y HN 0.742 nan 8.280 nan 0.000 0.551 198 S N 0.810 115.951 115.700 -0.931 0.000 3.832 198 S HA -0.207 4.262 4.470 -0.002 0.000 0.719 198 S C -0.143 174.311 174.600 -0.243 0.000 1.382 198 S CA 0.356 58.309 58.200 -0.412 0.000 1.406 198 S CB -0.495 62.747 63.200 0.069 0.000 0.425 198 S HN 0.721 nan 8.310 nan 0.000 0.834 199 D N 0.600 120.999 120.400 -0.002 0.000 2.737 199 D HA -0.177 4.462 4.640 -0.002 0.000 0.233 199 D C 1.044 177.279 176.300 -0.107 0.000 1.155 199 D CA 2.787 56.759 54.000 -0.047 0.000 0.667 199 D CB -1.914 38.806 40.800 -0.133 0.000 1.060 199 D HN 2.003 nan 8.370 nan 0.000 0.427 200 G N -2.249 106.618 108.800 0.112 0.000 2.184 200 G HA2 -0.334 3.624 3.960 -0.002 0.000 0.264 200 G HA3 -0.334 3.624 3.960 -0.002 0.000 0.264 200 G C 0.397 175.367 174.900 0.117 0.000 0.975 200 G CA 0.249 45.471 45.100 0.204 0.000 0.642 200 G HN 0.649 nan 8.290 nan 0.000 0.536 201 V N 2.436 122.277 119.914 -0.122 0.000 2.455 201 V HA 0.565 4.684 4.120 -0.002 0.000 0.273 201 V C 0.832 176.978 176.094 0.087 0.000 1.045 201 V CA 0.446 62.679 62.300 -0.112 0.000 0.976 201 V CB 1.040 32.692 31.823 -0.285 0.000 0.993 201 V HN 0.702 nan 8.190 nan 0.000 0.475 202 T N 1.569 116.246 114.554 0.205 0.000 2.779 202 T HA 0.776 5.124 4.350 -0.002 0.000 0.280 202 T C 0.131 175.017 174.700 0.310 0.000 0.987 202 T CA 0.018 62.321 62.100 0.339 0.000 0.966 202 T CB 1.259 70.315 68.868 0.313 0.000 0.933 202 T HN 1.781 nan 8.240 nan 0.000 0.442 203 G N 2.000 110.968 108.800 0.280 0.000 2.675 203 G HA2 -0.031 3.928 3.960 -0.002 0.000 0.686 203 G HA3 -0.031 3.928 3.960 -0.002 0.000 0.686 203 G C 0.082 174.833 174.900 -0.248 0.000 1.215 203 G CA -0.278 44.879 45.100 0.095 0.000 0.777 203 G HN 0.882 nan 8.290 nan 0.000 0.638 204 I N 0.876 121.322 120.570 -0.207 0.000 2.439 204 I HA 0.065 4.234 4.170 -0.002 0.000 0.251 204 I C 2.484 178.467 176.117 -0.224 0.000 1.139 204 I CA 2.203 63.314 61.300 -0.315 0.000 1.438 204 I CB -0.242 37.704 38.000 -0.090 0.000 1.085 204 I HN 0.698 nan 8.210 nan 0.000 0.427 205 K N 0.964 121.262 120.400 -0.170 0.000 2.097 205 K HA -0.043 4.276 4.320 -0.002 0.000 0.206 205 K C 2.003 178.537 176.600 -0.111 0.000 1.049 205 K CA 1.620 57.829 56.287 -0.130 0.000 0.933 205 K CB -0.361 32.052 32.500 -0.145 0.000 0.717 205 K HN 0.324 nan 8.250 nan 0.000 0.442 206 A N 0.665 123.395 122.820 -0.152 0.000 1.872 206 A HA 0.073 4.392 4.320 -0.002 0.000 0.214 206 A C 2.405 179.954 177.584 -0.059 0.000 1.187 206 A CA 1.571 53.547 52.037 -0.101 0.000 0.614 206 A CB -1.184 17.750 19.000 -0.110 0.000 0.826 206 A HN 0.408 nan 8.150 nan 0.000 0.442 207 A N 0.194 122.908 122.820 -0.176 0.000 1.896 207 A HA -0.065 4.253 4.320 -0.002 0.000 0.220 207 A C 2.530 180.265 177.584 0.252 0.000 1.206 207 A CA 2.918 54.944 52.037 -0.019 0.000 0.647 207 A CB -1.228 17.522 19.000 -0.418 0.000 0.828 207 A HN 1.183 nan 8.150 nan 0.000 0.455 208 A N -0.800 122.102 122.820 0.138 0.000 1.877 208 A HA -0.143 4.176 4.320 -0.002 0.000 0.216 208 A C 2.106 179.830 177.584 0.233 0.000 1.186 208 A CA 2.346 54.519 52.037 0.227 0.000 0.620 208 A CB -0.448 18.609 19.000 0.095 0.000 0.822 208 A HN 0.494 nan 8.150 nan 0.000 0.443 209 K N -1.397 119.081 120.400 0.130 0.000 2.097 209 K HA -0.145 4.173 4.320 -0.002 0.000 0.206 209 K C 1.716 178.385 176.600 0.115 0.000 1.049 209 K CA 1.625 57.974 56.287 0.104 0.000 0.933 209 K CB -0.539 31.997 32.500 0.059 0.000 0.717 209 K HN 0.608 nan 8.250 nan 0.000 0.442 210 Y N -0.542 119.741 120.300 -0.027 0.000 2.079 210 Y HA -0.299 4.250 4.550 -0.002 0.000 0.267 210 Y C 1.777 177.603 175.900 -0.122 0.000 1.104 210 Y CA 2.005 60.018 58.100 -0.145 0.000 1.086 210 Y CB -0.441 37.821 38.460 -0.331 0.000 0.989 210 Y HN 0.074 nan 8.280 nan 0.000 0.477 211 Y N -1.331 118.938 120.300 -0.053 0.000 2.207 211 Y HA -0.227 4.322 4.550 -0.002 0.000 0.287 211 Y C 1.542 177.022 175.900 -0.700 0.000 1.156 211 Y CA 1.710 59.549 58.100 -0.436 0.000 1.182 211 Y CB -0.267 37.980 38.460 -0.355 0.000 0.979 211 Y HN 0.159 nan 8.280 nan 0.000 0.521 212 F N -2.188 117.837 119.950 0.124 0.000 2.746 212 F HA 0.231 4.757 4.527 -0.002 0.000 0.320 212 F C 0.808 176.623 175.800 0.026 0.000 1.097 212 F CA -0.351 57.686 58.000 0.061 0.000 1.195 212 F CB 0.108 39.152 39.000 0.073 0.000 1.056 212 F HN -0.156 nan 8.300 nan 0.000 0.562 213 N N 1.801 120.586 118.700 0.142 0.000 2.725 213 N HA -0.237 4.502 4.740 -0.002 0.000 0.249 213 N C -0.564 175.007 175.510 0.101 0.000 1.103 213 N CA 0.630 53.732 53.050 0.086 0.000 0.707 213 N CB -0.812 37.702 38.487 0.045 0.000 1.043 213 N HN 0.350 nan 8.380 nan 0.000 0.553 214 K N 0.428 120.913 120.400 0.140 0.000 2.221 214 K HA 0.271 4.590 4.320 -0.002 0.000 0.258 214 K C -0.659 175.977 176.600 0.060 0.000 0.944 214 K CA -0.829 55.514 56.287 0.095 0.000 0.823 214 K CB 0.980 33.538 32.500 0.096 0.000 1.113 214 K HN 0.033 nan 8.250 nan 0.000 0.431 215 D N 2.198 122.615 120.400 0.029 0.000 2.382 215 D HA 0.016 4.655 4.640 -0.002 0.000 0.240 215 D C 1.477 177.776 176.300 -0.002 0.000 1.146 215 D CA 0.024 54.029 54.000 0.008 0.000 0.897 215 D CB 0.863 41.663 40.800 0.000 0.000 1.197 215 D HN 0.352 nan 8.370 nan 0.000 0.432 216 L N 1.597 122.810 121.223 -0.015 0.000 2.012 216 L HA -0.258 4.080 4.340 -0.002 0.000 0.210 216 L C 2.439 179.293 176.870 -0.026 0.000 1.073 216 L CA 1.501 56.326 54.840 -0.025 0.000 0.748 216 L CB -0.587 41.450 42.059 -0.038 0.000 0.891 216 L HN 0.520 nan 8.230 nan 0.000 0.431 217 K N 1.162 121.548 120.400 -0.023 0.000 2.059 217 K HA -0.230 4.089 4.320 -0.002 0.000 0.212 217 K C 0.200 176.789 176.600 -0.018 0.000 1.050 217 K CA 2.090 58.365 56.287 -0.020 0.000 0.927 217 K CB -0.894 31.596 32.500 -0.016 0.000 0.714 217 K HN 0.516 nan 8.250 nan 0.000 0.447 218 D N 1.504 121.894 120.400 -0.016 0.000 2.622 218 D HA 0.321 4.960 4.640 -0.002 0.000 0.262 218 D C -0.285 175.998 176.300 -0.028 0.000 1.189 218 D CA -0.646 53.344 54.000 -0.017 0.000 0.985 218 D CB 0.556 41.351 40.800 -0.008 0.000 0.994 218 D HN 0.439 nan 8.370 nan 0.000 0.513 219 L N -0.583 120.612 121.223 -0.047 0.000 2.434 219 L HA 0.638 4.977 4.340 -0.002 0.000 0.260 219 L C -1.210 175.606 176.870 -0.090 0.000 0.983 219 L CA -1.214 53.573 54.840 -0.089 0.000 0.820 219 L CB 1.977 43.960 42.059 -0.127 0.000 1.361 219 L HN 0.116 nan 8.230 nan 0.000 0.410 220 N N 2.897 121.528 118.700 -0.115 0.000 2.379 220 N HA 0.209 4.947 4.740 -0.002 0.000 0.260 220 N C 0.630 176.097 175.510 -0.071 0.000 1.254 220 N CA -0.692 52.312 53.050 -0.077 0.000 0.958 220 N CB 0.583 39.028 38.487 -0.070 0.000 1.208 220 N HN 0.757 nan 8.380 nan 0.000 0.532 221 L N -0.504 120.703 121.223 -0.025 0.000 2.083 221 L HA -0.093 4.246 4.340 -0.002 0.000 0.209 221 L C 2.327 179.201 176.870 0.007 0.000 1.083 221 L CA 2.001 56.844 54.840 0.006 0.000 0.752 221 L CB -2.018 40.068 42.059 0.045 0.000 0.899 221 L HN 0.820 nan 8.230 nan 0.000 0.433 222 A N 0.121 122.937 122.820 -0.007 0.000 1.865 222 A HA -0.247 4.072 4.320 -0.002 0.000 0.217 222 A C 2.212 179.784 177.584 -0.020 0.000 1.191 222 A CA 1.855 53.894 52.037 0.003 0.000 0.623 222 A CB -0.518 18.474 19.000 -0.014 0.000 0.826 222 A HN 0.446 nan 8.150 nan 0.000 0.444 223 E N -0.338 119.768 120.200 -0.156 0.000 2.058 223 E HA -0.219 4.129 4.350 -0.002 0.000 0.194 223 E C 2.078 178.618 176.600 -0.100 0.000 0.997 223 E CA 1.628 57.829 56.400 -0.330 0.000 0.801 223 E CB -0.207 29.043 29.700 -0.749 0.000 0.746 223 E HN 0.757 nan 8.360 nan 0.000 0.450 224 E N 0.512 120.670 120.200 -0.071 0.000 2.031 224 E HA -0.226 4.123 4.350 -0.002 0.000 0.193 224 E C 2.151 178.774 176.600 0.038 0.000 0.994 224 E CA 0.890 57.285 56.400 -0.008 0.000 0.800 224 E CB -0.214 29.483 29.700 -0.004 0.000 0.752 224 E HN 0.260 nan 8.360 nan 0.000 0.447 225 A N 1.264 124.116 122.820 0.053 0.000 1.869 225 A HA -0.289 4.030 4.320 -0.002 0.000 0.218 225 A C 2.092 179.727 177.584 0.086 0.000 1.203 225 A CA 1.977 54.059 52.037 0.075 0.000 0.638 225 A CB -1.209 17.848 19.000 0.095 0.000 0.831 225 A HN 0.492 nan 8.150 nan 0.000 0.450 226 Y N -0.136 120.162 120.300 -0.004 0.000 2.070 226 Y HA -0.245 4.304 4.550 -0.002 0.000 0.280 226 Y C 2.075 177.991 175.900 0.026 0.000 1.148 226 Y CA 1.955 60.050 58.100 -0.008 0.000 1.125 226 Y CB -0.316 38.152 38.460 0.013 0.000 0.975 226 Y HN 0.223 nan 8.280 nan 0.000 0.492 227 L N 0.784 121.921 121.223 -0.144 0.000 2.012 227 L HA -0.249 4.089 4.340 -0.002 0.000 0.210 227 L C 2.798 179.674 176.870 0.009 0.000 1.073 227 L CA 2.066 56.840 54.840 -0.110 0.000 0.748 227 L CB -1.631 40.471 42.059 0.071 0.000 0.891 227 L HN 0.426 nan 8.230 nan 0.000 0.431 228 A N -0.568 122.269 122.820 0.028 0.000 1.940 228 A HA -0.141 4.178 4.320 -0.002 0.000 0.219 228 A C 2.414 179.993 177.584 -0.008 0.000 1.176 228 A CA 1.791 53.864 52.037 0.060 0.000 0.631 228 A CB -1.336 17.703 19.000 0.065 0.000 0.814 228 A HN 0.457 nan 8.150 nan 0.000 0.446 229 G N -0.760 107.987 108.800 -0.088 0.000 2.443 229 G HA2 -0.036 3.922 3.960 -0.002 0.000 0.219 229 G HA3 -0.036 3.922 3.960 -0.002 0.000 0.219 229 G C 1.415 176.211 174.900 -0.173 0.000 1.131 229 G CA 0.999 46.014 45.100 -0.142 0.000 0.775 229 G HN 0.396 nan 8.290 nan 0.000 0.547 230 L N 1.486 122.552 121.223 -0.261 0.000 2.017 230 L HA 0.073 4.412 4.340 -0.002 0.000 0.208 230 L C -0.374 176.431 176.870 -0.109 0.000 1.073 230 L CA 1.617 56.329 54.840 -0.215 0.000 0.745 230 L CB -0.820 41.031 42.059 -0.346 0.000 0.894 230 L HN 0.074 nan 8.230 nan 0.000 0.432 231 P HA -0.158 nan 4.420 nan 0.000 0.236 231 P C 1.174 178.433 177.300 -0.070 0.000 1.172 231 P CA 0.802 63.721 63.100 -0.302 0.000 0.759 231 P CB -0.038 31.384 31.700 -0.462 0.000 0.843 232 Q N 0.682 120.513 119.800 0.051 0.000 2.020 232 Q HA -0.059 4.279 4.340 -0.002 0.000 0.198 232 Q C 0.508 176.544 176.000 0.060 0.000 0.974 232 Q CA 1.436 57.302 55.803 0.105 0.000 0.829 232 Q CB 0.146 29.009 28.738 0.209 0.000 0.894 232 Q HN 0.158 nan 8.270 nan 0.000 0.433 233 V N -3.128 116.810 119.914 0.039 0.000 2.554 233 V HA 0.357 4.476 4.120 -0.002 0.000 0.258 233 V C -2.437 173.565 176.094 -0.153 0.000 0.919 233 V CA -1.542 60.660 62.300 -0.164 0.000 0.910 233 V CB 0.893 32.489 31.823 -0.380 0.000 1.100 233 V HN 0.034 nan 8.190 nan 0.000 0.491 234 P HA -0.173 nan 4.420 nan 0.000 0.216 234 P C 1.342 178.685 177.300 0.072 0.000 1.167 234 P CA 2.001 65.127 63.100 0.043 0.000 0.914 234 P CB 0.157 31.864 31.700 0.012 0.000 0.793 235 N N -0.554 118.189 118.700 0.071 0.000 2.061 235 N HA -0.159 4.580 4.740 -0.002 0.000 0.193 235 N C 1.467 176.981 175.510 0.007 0.000 1.030 235 N CA 1.336 54.444 53.050 0.096 0.000 0.856 235 N CB -1.382 37.160 38.487 0.093 0.000 1.023 235 N HN 0.172 nan 8.380 nan 0.000 0.424 236 N N -0.264 118.311 118.700 -0.209 0.000 2.289 236 N HA -0.088 4.651 4.740 -0.002 0.000 0.184 236 N C 0.871 176.193 175.510 -0.314 0.000 1.016 236 N CA 0.794 53.557 53.050 -0.477 0.000 0.872 236 N CB -0.206 37.930 38.487 -0.586 0.000 0.973 236 N HN 0.531 nan 8.380 nan 0.000 0.433 237 Y N -0.624 119.690 120.300 0.023 0.000 2.458 237 Y HA 0.188 4.737 4.550 -0.002 0.000 0.256 237 Y C 0.671 176.723 175.900 0.252 0.000 1.159 237 Y CA -0.912 57.264 58.100 0.127 0.000 1.261 237 Y CB 0.226 38.745 38.460 0.099 0.000 1.119 237 Y HN -0.036 nan 8.280 nan 0.000 0.524 238 N N 2.834 121.770 118.700 0.394 0.000 2.434 238 N HA -0.059 4.679 4.740 -0.002 0.000 0.268 238 N C 1.118 176.835 175.510 0.346 0.000 1.256 238 N CA 0.253 53.557 53.050 0.423 0.000 0.914 238 N CB 0.543 39.286 38.487 0.427 0.000 1.088 238 N HN 0.553 nan 8.380 nan 0.000 0.478 239 I N 2.189 122.865 120.570 0.176 0.000 2.264 239 I HA -0.270 3.899 4.170 -0.002 0.000 0.248 239 I C 1.161 177.262 176.117 -0.027 0.000 1.111 239 I CA 1.046 62.306 61.300 -0.067 0.000 1.382 239 I CB -0.588 37.165 38.000 -0.411 0.000 1.060 239 I HN 0.373 nan 8.210 nan 0.000 0.418 240 Y N 1.878 122.249 120.300 0.118 0.000 2.165 240 Y HA -0.251 4.297 4.550 -0.002 0.000 0.286 240 Y C 2.278 178.196 175.900 0.029 0.000 1.155 240 Y CA 1.928 60.070 58.100 0.070 0.000 1.164 240 Y CB -0.464 38.058 38.460 0.104 0.000 0.978 240 Y HN 0.249 nan 8.280 nan 0.000 0.513 241 D N -2.097 118.426 120.400 0.203 0.000 2.146 241 D HA -0.045 4.594 4.640 -0.002 0.000 0.209 241 D C 0.268 176.419 176.300 -0.247 0.000 0.973 241 D CA 1.346 55.320 54.000 -0.043 0.000 0.860 241 D CB -0.168 40.623 40.800 -0.015 0.000 1.015 241 D HN 0.326 nan 8.370 nan 0.000 0.465 242 H N -0.275 118.863 119.070 0.113 0.000 2.317 242 H HA 0.228 4.783 4.556 -0.002 0.000 0.231 242 H C -1.739 173.634 175.328 0.076 0.000 1.442 242 H CA -1.441 54.663 56.048 0.093 0.000 1.336 242 H CB 1.117 30.945 29.762 0.110 0.000 1.533 242 H HN 0.066 nan 8.280 nan 0.000 0.522 243 P HA -0.247 nan 4.420 nan 0.000 0.215 243 P C 1.303 178.627 177.300 0.039 0.000 1.157 243 P CA 1.327 64.439 63.100 0.020 0.000 0.868 243 P CB 0.521 32.207 31.700 -0.024 0.000 0.788 244 K N 0.665 121.101 120.400 0.060 0.000 2.044 244 K HA -0.153 4.166 4.320 -0.002 0.000 0.210 244 K C 2.225 178.882 176.600 0.094 0.000 1.049 244 K CA 1.991 58.316 56.287 0.063 0.000 0.927 244 K CB -1.735 30.804 32.500 0.065 0.000 0.713 244 K HN 0.062 nan 8.250 nan 0.000 0.443 245 A N 1.838 124.753 122.820 0.159 0.000 1.930 245 A HA 0.079 4.397 4.320 -0.002 0.000 0.217 245 A C 2.552 180.273 177.584 0.229 0.000 1.175 245 A CA 1.805 53.972 52.037 0.218 0.000 0.627 245 A CB -0.623 18.536 19.000 0.265 0.000 0.815 245 A HN 0.461 nan 8.150 nan 0.000 0.443 246 A N -0.161 122.777 122.820 0.198 0.000 1.898 246 A HA -0.110 4.209 4.320 -0.002 0.000 0.216 246 A C 1.945 179.544 177.584 0.026 0.000 1.181 246 A CA 2.049 54.173 52.037 0.144 0.000 0.620 246 A CB -0.509 18.509 19.000 0.030 0.000 0.819 246 A HN 0.545 nan 8.150 nan 0.000 0.442 247 E N 0.893 121.089 120.200 -0.007 0.000 2.033 247 E HA -0.227 4.121 4.350 -0.002 0.000 0.199 247 E C 1.450 178.056 176.600 0.009 0.000 1.011 247 E CA 2.004 58.395 56.400 -0.015 0.000 0.815 247 E CB -0.344 29.349 29.700 -0.012 0.000 0.755 247 E HN 0.577 nan 8.360 nan 0.000 0.451 248 D N -0.674 119.739 120.400 0.022 0.000 2.218 248 D HA -0.164 4.475 4.640 -0.002 0.000 0.204 248 D C 2.034 178.325 176.300 -0.016 0.000 0.976 248 D CA 1.063 55.075 54.000 0.019 0.000 0.853 248 D CB -0.140 40.685 40.800 0.042 0.000 0.939 248 D HN 0.056 nan 8.370 nan 0.000 0.481 249 R N 1.640 122.088 120.500 -0.087 0.000 2.093 249 R HA -0.048 4.291 4.340 -0.002 0.000 0.224 249 R C 1.915 178.146 176.300 -0.114 0.000 1.101 249 R CA 1.035 56.978 56.100 -0.263 0.000 0.979 249 R CB -0.358 29.450 30.300 -0.821 0.000 0.877 249 R HN -0.104 nan 8.270 nan 0.000 0.441 250 K N 0.543 120.948 120.400 0.009 0.000 2.063 250 K HA -0.129 4.189 4.320 -0.002 0.000 0.208 250 K C 1.275 177.926 176.600 0.085 0.000 1.048 250 K CA 1.711 58.050 56.287 0.088 0.000 0.928 250 K CB -0.320 32.253 32.500 0.122 0.000 0.713 250 K HN 0.165 nan 8.250 nan 0.000 0.442 251 N N 0.563 119.307 118.700 0.074 0.000 2.104 251 N HA -0.129 4.609 4.740 -0.002 0.000 0.190 251 N C 1.757 177.364 175.510 0.162 0.000 1.024 251 N CA 2.215 55.336 53.050 0.119 0.000 0.853 251 N CB -0.668 37.865 38.487 0.078 0.000 1.008 251 N HN 0.513 nan 8.380 nan 0.000 0.424 252 T N -2.173 112.440 114.554 0.099 0.000 2.985 252 T HA 0.051 4.400 4.350 -0.002 0.000 0.266 252 T C 2.071 176.864 174.700 0.154 0.000 1.076 252 T CA 0.531 62.710 62.100 0.132 0.000 1.135 252 T CB -0.524 68.379 68.868 0.058 0.000 0.890 252 T HN -0.101 nan 8.240 nan 0.000 0.480 253 V N 1.620 121.589 119.914 0.091 0.000 2.358 253 V HA -0.055 4.063 4.120 -0.002 0.000 0.246 253 V C 2.700 178.841 176.094 0.079 0.000 1.047 253 V CA 1.360 63.703 62.300 0.072 0.000 1.035 253 V CB -0.786 31.065 31.823 0.046 0.000 0.658 253 V HN 0.415 nan 8.190 nan 0.000 0.452 254 L N -1.019 120.281 121.223 0.129 0.000 2.012 254 L HA -0.256 4.083 4.340 -0.002 0.000 0.210 254 L C 2.500 179.338 176.870 -0.054 0.000 1.073 254 L CA 2.371 57.291 54.840 0.133 0.000 0.748 254 L CB -0.751 41.518 42.059 0.351 0.000 0.891 254 L HN 0.449 nan 8.230 nan 0.000 0.431 255 Y N 0.621 120.900 120.300 -0.034 0.000 2.151 255 Y HA -0.188 4.361 4.550 -0.002 0.000 0.284 255 Y C 1.422 177.194 175.900 -0.214 0.000 1.166 255 Y CA 0.855 58.840 58.100 -0.192 0.000 1.163 255 Y CB -0.082 38.387 38.460 0.016 0.000 0.974 255 Y HN -0.047 nan 8.280 nan 0.000 0.511 259 Y N 1.887 121.693 120.300 -0.824 0.000 2.193 259 Y HA -0.149 4.400 4.550 -0.002 0.000 0.285 259 Y C 1.431 176.948 175.900 -0.638 0.000 1.166 259 Y CA 2.370 59.977 58.100 -0.823 0.000 1.181 259 Y CB -0.127 37.696 38.460 -1.061 0.000 0.976 259 Y HN 0.449 nan 8.280 nan 0.000 0.520 260 H N 0.630 119.494 119.070 -0.343 0.000 2.524 260 H HA 0.186 4.740 4.556 -0.002 0.000 0.280 260 H C 0.503 175.670 175.328 -0.269 0.000 1.018 260 H CA 0.312 56.180 56.048 -0.300 0.000 1.165 260 H CB -0.089 29.590 29.762 -0.139 0.000 1.411 260 H HN 0.338 nan 8.280 nan 0.000 0.569 261 K N 0.348 120.595 120.400 -0.254 0.000 3.088 261 K HA -0.208 4.111 4.320 -0.002 0.000 0.273 261 K C 1.113 177.649 176.600 -0.105 0.000 1.111 261 K CA 0.191 56.352 56.287 -0.208 0.000 0.803 261 K CB -0.512 31.877 32.500 -0.186 0.000 1.226 261 K HN 0.237 nan 8.250 nan 0.000 0.485 262 R N 0.249 120.704 120.500 -0.076 0.000 2.275 262 R HA 0.123 4.462 4.340 -0.002 0.000 0.199 262 R C 1.235 177.526 176.300 -0.015 0.000 0.989 262 R CA 0.944 57.027 56.100 -0.028 0.000 1.016 262 R CB -0.081 30.218 30.300 -0.002 0.000 0.918 262 R HN 0.521 nan 8.270 nan 0.000 0.473 263 I N -2.840 117.716 120.570 -0.024 0.000 2.894 263 I HA 0.348 4.517 4.170 -0.002 0.000 0.302 263 I C 0.031 176.185 176.117 0.063 0.000 1.188 263 I CA -1.151 60.168 61.300 0.031 0.000 1.014 263 I CB 2.190 40.231 38.000 0.069 0.000 1.242 263 I HN -0.201 nan 8.210 nan 0.000 0.430 264 T N -0.959 113.654 114.554 0.099 0.000 2.788 264 T HA 0.208 4.556 4.350 -0.002 0.000 0.287 264 T C 0.499 175.351 174.700 0.254 0.000 1.007 264 T CA 0.068 62.245 62.100 0.129 0.000 1.005 264 T CB 1.000 69.923 68.868 0.091 0.000 1.012 264 T HN 0.678 nan 8.240 nan 0.000 0.530 265 D N -0.252 120.306 120.400 0.264 0.000 2.123 265 D HA -0.076 4.562 4.640 -0.002 0.000 0.196 265 D C 1.969 178.402 176.300 0.222 0.000 0.992 265 D CA 0.987 55.185 54.000 0.330 0.000 0.833 265 D CB -0.064 40.881 40.800 0.243 0.000 0.954 265 D HN 0.464 nan 8.370 nan 0.000 0.455 266 K N 0.771 121.257 120.400 0.145 0.000 1.985 266 K HA -0.149 4.169 4.320 -0.002 0.000 0.210 266 K C 2.036 178.693 176.600 0.094 0.000 1.047 266 K CA 1.368 57.708 56.287 0.087 0.000 0.932 266 K CB -0.260 32.278 32.500 0.063 0.000 0.716 266 K HN 0.383 nan 8.250 nan 0.000 0.439 267 Q N -1.210 118.663 119.800 0.123 0.000 2.297 267 Q HA -0.150 4.188 4.340 -0.002 0.000 0.204 267 Q C 1.952 178.067 176.000 0.192 0.000 0.962 267 Q CA 0.961 56.836 55.803 0.120 0.000 0.879 267 Q CB -0.516 28.282 28.738 0.100 0.000 0.947 267 Q HN 0.351 nan 8.270 nan 0.000 0.462 268 W N 2.531 123.853 121.300 0.037 0.000 2.408 268 W HA -0.052 4.607 4.660 -0.002 0.000 0.311 268 W C 1.861 178.376 176.519 -0.007 0.000 1.190 268 W CA 1.571 58.930 57.345 0.024 0.000 1.321 268 W CB -0.254 29.221 29.460 0.024 0.000 1.143 268 W HN 0.224 nan 8.180 nan 0.000 0.501 269 E N -0.376 119.766 120.200 -0.098 0.000 2.268 269 E HA -0.194 4.155 4.350 -0.002 0.000 0.195 269 E C 1.041 177.552 176.600 -0.149 0.000 0.995 269 E CA 1.509 57.733 56.400 -0.293 0.000 0.836 269 E CB -0.075 29.497 29.700 -0.212 0.000 0.763 269 E HN 0.169 nan 8.360 nan 0.000 0.491 270 D N -0.713 119.661 120.400 -0.044 0.000 2.333 270 D HA 0.055 4.693 4.640 -0.002 0.000 0.208 270 D C 1.368 177.665 176.300 -0.005 0.000 0.984 270 D CA 0.725 54.712 54.000 -0.022 0.000 0.873 270 D CB 0.276 41.078 40.800 0.004 0.000 0.935 270 D HN 0.204 nan 8.370 nan 0.000 0.521 271 A N 1.283 124.120 122.820 0.029 0.000 1.903 271 A HA -0.096 4.223 4.320 -0.002 0.000 0.213 271 A C 1.924 179.526 177.584 0.030 0.000 1.185 271 A CA 0.854 52.924 52.037 0.055 0.000 0.628 271 A CB -0.305 18.775 19.000 0.132 0.000 0.830 271 A HN 0.231 nan 8.150 nan 0.000 0.446 272 K N 0.219 120.611 120.400 -0.014 0.000 2.362 272 K HA -0.044 4.274 4.320 -0.002 0.000 0.200 272 K C 0.341 176.905 176.600 -0.060 0.000 1.046 272 K CA 1.118 57.379 56.287 -0.043 0.000 0.952 272 K CB -0.155 32.244 32.500 -0.167 0.000 0.753 272 K HN 0.277 nan 8.250 nan 0.000 0.466 273 K N 1.490 121.850 120.400 -0.067 0.000 2.994 273 K HA 0.301 4.620 4.320 -0.002 0.000 0.231 273 K C -0.560 176.021 176.600 -0.033 0.000 1.174 273 K CA -0.073 56.181 56.287 -0.056 0.000 1.221 273 K CB 0.091 32.552 32.500 -0.065 0.000 1.166 273 K HN 0.163 nan 8.250 nan 0.000 0.453 274 I N 0.256 120.813 120.570 -0.021 0.000 2.509 274 I HA 0.129 4.298 4.170 -0.002 0.000 0.293 274 I C -0.329 175.781 176.117 -0.011 0.000 1.020 274 I CA -1.049 60.243 61.300 -0.013 0.000 1.088 274 I CB 1.926 39.922 38.000 -0.008 0.000 1.267 274 I HN 0.020 nan 8.210 nan 0.000 0.430 275 D N 4.477 124.871 120.400 -0.009 0.000 2.343 275 D HA 0.075 4.713 4.640 -0.002 0.000 0.255 275 D C 0.630 176.932 176.300 0.004 0.000 1.187 275 D CA -0.085 53.910 54.000 -0.008 0.000 0.875 275 D CB 1.444 42.241 40.800 -0.006 0.000 1.136 275 D HN 0.329 nan 8.370 nan 0.000 0.469 276 L N 5.276 126.495 121.223 -0.007 0.000 2.093 276 L HA -0.124 4.215 4.340 -0.002 0.000 0.208 276 L C 2.032 178.946 176.870 0.073 0.000 1.085 276 L CA 1.693 56.541 54.840 0.014 0.000 0.755 276 L CB -0.391 41.629 42.059 -0.066 0.000 0.904 276 L HN 0.498 nan 8.230 nan 0.000 0.435 277 K N -0.938 119.460 120.400 -0.003 0.000 2.574 277 K HA 0.059 4.377 4.320 -0.002 0.000 0.193 277 K C 1.674 178.299 176.600 0.041 0.000 1.035 277 K CA 0.691 56.968 56.287 -0.016 0.000 0.982 277 K CB -0.550 31.914 32.500 -0.060 0.000 0.795 277 K HN 0.248 nan 8.250 nan 0.000 0.491 278 A N 3.038 125.903 122.820 0.074 0.000 1.901 278 A HA -0.312 4.007 4.320 -0.002 0.000 0.227 278 A C 1.535 179.176 177.584 0.095 0.000 1.551 278 A CA 2.135 54.216 52.037 0.072 0.000 0.769 278 A CB -0.879 18.159 19.000 0.063 0.000 0.845 278 A HN 0.666 nan 8.150 nan 0.000 0.481 279 N N -0.446 118.365 118.700 0.186 0.000 2.635 279 N HA 0.327 5.066 4.740 -0.002 0.000 0.307 279 N C -0.742 174.894 175.510 0.210 0.000 1.433 279 N CA -0.450 52.710 53.050 0.183 0.000 0.973 279 N CB -0.020 38.575 38.487 0.179 0.000 1.304 279 N HN 0.368 nan 8.380 nan 0.000 0.507 280 L N 1.889 123.141 121.223 0.049 0.000 2.369 280 L HA 0.224 4.563 4.340 -0.002 0.000 0.279 280 L C -0.180 176.608 176.870 -0.137 0.000 1.108 280 L CA 0.112 54.818 54.840 -0.222 0.000 0.852 280 L CB 0.974 42.864 42.059 -0.281 0.000 1.169 280 L HN -0.112 nan 8.230 nan 0.000 0.452 281 V N 7.791 127.610 119.914 -0.158 0.000 2.446 281 V HA 0.133 4.251 4.120 -0.002 0.000 0.276 281 V C 0.718 176.793 176.094 -0.032 0.000 1.030 281 V CA -0.145 62.106 62.300 -0.081 0.000 1.033 281 V CB -0.234 31.529 31.823 -0.099 0.000 0.993 281 V HN 0.974 nan 8.190 nan 0.000 0.477 282 N N 6.623 125.318 118.700 -0.008 0.000 2.441 282 N HA 0.308 5.046 4.740 -0.002 0.000 0.251 282 N C -0.264 175.259 175.510 0.022 0.000 1.242 282 N CA 0.040 53.110 53.050 0.032 0.000 0.898 282 N CB 0.569 39.061 38.487 0.009 0.000 1.100 282 N HN 0.650 nan 8.380 nan 0.000 0.443 283 R N -0.497 120.029 120.500 0.043 0.000 2.728 283 R HA 0.304 4.642 4.340 -0.002 0.000 0.274 283 R C -1.117 175.128 176.300 -0.092 0.000 1.030 283 R CA -0.685 55.365 56.100 -0.082 0.000 0.876 283 R CB 1.830 31.963 30.300 -0.279 0.000 1.259 283 R HN 0.681 nan 8.270 nan 0.000 0.468 284 T N -2.313 112.165 114.554 -0.127 0.000 2.930 284 T HA 0.448 4.797 4.350 -0.002 0.000 0.290 284 T C -2.095 172.530 174.700 -0.126 0.000 1.052 284 T CA -1.799 60.245 62.100 -0.093 0.000 1.017 284 T CB 2.211 71.045 68.868 -0.058 0.000 1.137 284 T HN 0.261 nan 8.240 nan 0.000 0.511 285 P HA -0.064 nan 4.420 nan 0.000 0.218 285 P C 1.092 178.355 177.300 -0.061 0.000 1.149 285 P CA 1.067 64.122 63.100 -0.075 0.000 0.817 285 P CB 0.142 31.819 31.700 -0.039 0.000 0.785 286 E N 0.464 120.633 120.200 -0.051 0.000 2.268 286 E HA -0.151 4.198 4.350 -0.002 0.000 0.195 286 E C 1.801 178.374 176.600 -0.045 0.000 0.995 286 E CA 0.955 57.331 56.400 -0.040 0.000 0.836 286 E CB -0.420 29.260 29.700 -0.033 0.000 0.763 286 E HN 0.527 nan 8.360 nan 0.000 0.491 287 E N 0.387 120.549 120.200 -0.063 0.000 2.140 287 E HA 0.055 4.404 4.350 -0.002 0.000 0.191 287 E C 2.107 178.674 176.600 -0.055 0.000 0.973 287 E CA 0.111 56.474 56.400 -0.062 0.000 0.829 287 E CB 0.066 29.717 29.700 -0.082 0.000 0.781 287 E HN 0.089 nan 8.360 nan 0.000 0.466 288 R N 0.718 121.165 120.500 -0.088 0.000 2.115 288 R HA -0.110 4.229 4.340 -0.002 0.000 0.230 288 R C 2.036 178.320 176.300 -0.026 0.000 1.111 288 R CA 1.151 57.218 56.100 -0.056 0.000 0.976 288 R CB -0.040 30.184 30.300 -0.127 0.000 0.870 288 R HN 0.207 nan 8.270 nan 0.000 0.445 289 Q N 0.060 119.843 119.800 -0.028 0.000 2.302 289 Q HA -0.027 4.312 4.340 -0.002 0.000 0.202 289 Q C 0.415 176.404 176.000 -0.018 0.000 0.936 289 Q CA 0.214 56.007 55.803 -0.017 0.000 0.886 289 Q CB 0.050 28.780 28.738 -0.013 0.000 0.986 289 Q HN 0.071 nan 8.270 nan 0.000 0.487 290 N N 1.915 120.602 118.700 -0.021 0.000 2.605 290 N HA -0.016 4.722 4.740 -0.002 0.000 0.282 290 N C -0.964 174.537 175.510 -0.015 0.000 1.206 290 N CA 0.074 53.112 53.050 -0.019 0.000 1.074 290 N CB -0.092 38.382 38.487 -0.022 0.000 1.434 290 N HN 0.248 nan 8.380 nan 0.000 0.506 291 I N 1.735 122.295 120.570 -0.017 0.000 2.389 291 I HA 0.015 4.184 4.170 -0.002 0.000 0.295 291 I C -0.204 175.904 176.117 -0.015 0.000 1.117 291 I CA -0.247 61.044 61.300 -0.017 0.000 1.317 291 I CB 0.094 38.082 38.000 -0.019 0.000 1.431 291 I HN 0.306 nan 8.210 nan 0.000 0.521 292 D N 5.891 126.285 120.400 -0.011 0.000 2.435 292 D HA 0.034 4.672 4.640 -0.002 0.000 0.230 292 D C 1.371 177.665 176.300 -0.010 0.000 1.215 292 D CA -0.143 53.850 54.000 -0.012 0.000 0.947 292 D CB 0.953 41.747 40.800 -0.010 0.000 1.048 292 D HN 0.658 nan 8.370 nan 0.000 0.512 293 T N 0.445 114.991 114.554 -0.014 0.000 3.118 293 T HA -0.071 4.277 4.350 -0.002 0.000 0.260 293 T C 1.052 175.746 174.700 -0.010 0.000 1.139 293 T CA 0.017 62.109 62.100 -0.013 0.000 1.085 293 T CB 0.038 68.894 68.868 -0.020 0.000 0.934 293 T HN 0.153 nan 8.240 nan 0.000 0.518 294 N N 1.710 120.403 118.700 -0.012 0.000 2.598 294 N HA 0.166 4.905 4.740 -0.002 0.000 0.309 294 N C -0.545 174.960 175.510 -0.008 0.000 1.645 294 N CA -0.478 52.566 53.050 -0.011 0.000 0.936 294 N CB 0.284 38.757 38.487 -0.023 0.000 1.323 294 N HN 0.503 nan 8.380 nan 0.000 0.497 295 Q N -0.002 119.798 119.800 0.001 0.000 2.312 295 Q HA 0.205 4.544 4.340 -0.002 0.000 0.236 295 Q C -0.444 175.560 176.000 0.007 0.000 0.965 295 Q CA -0.440 55.363 55.803 -0.001 0.000 0.894 295 Q CB 0.755 29.497 28.738 0.006 0.000 1.225 295 Q HN 0.300 nan 8.270 nan 0.000 0.478 296 D N 1.066 121.451 120.400 -0.025 0.000 2.686 296 D HA -0.168 4.470 4.640 -0.002 0.000 0.235 296 D C 0.698 176.932 176.300 -0.109 0.000 1.160 296 D CA 1.035 54.982 54.000 -0.088 0.000 0.645 296 D CB -1.186 39.665 40.800 0.085 0.000 1.039 296 D HN 0.762 nan 8.370 nan 0.000 0.423 297 S N -0.228 115.421 115.700 -0.086 0.000 2.469 297 S HA -0.219 4.249 4.470 -0.002 0.000 0.238 297 S C 1.655 176.222 174.600 -0.054 0.000 0.998 297 S CA 1.054 59.234 58.200 -0.033 0.000 0.957 297 S CB 0.029 63.213 63.200 -0.026 0.000 0.764 297 S HN 0.565 nan 8.310 nan 0.000 0.514 298 E N 0.641 120.711 120.200 -0.216 0.000 2.418 298 E HA -0.152 4.196 4.350 -0.002 0.000 0.197 298 E C 0.836 177.331 176.600 -0.174 0.000 1.026 298 E CA 0.712 56.964 56.400 -0.247 0.000 0.862 298 E CB -0.586 28.885 29.700 -0.381 0.000 0.799 298 E HN 0.868 nan 8.360 nan 0.000 0.518 299 Y N 0.440 120.771 120.300 0.052 0.000 2.458 299 Y HA 0.159 4.708 4.550 -0.002 0.000 0.254 299 Y C 1.796 177.774 175.900 0.129 0.000 1.120 299 Y CA -0.358 57.789 58.100 0.078 0.000 1.282 299 Y CB 0.174 38.658 38.460 0.041 0.000 1.109 299 Y HN -0.029 nan 8.280 nan 0.000 0.526 300 N N 0.519 119.377 118.700 0.263 0.000 2.060 300 N HA -0.206 4.533 4.740 -0.002 0.000 0.195 300 N C 1.824 177.547 175.510 0.354 0.000 1.028 300 N CA 2.101 55.334 53.050 0.306 0.000 0.861 300 N CB -0.489 38.204 38.487 0.344 0.000 1.029 300 N HN 0.184 nan 8.380 nan 0.000 0.428 301 S N -0.381 115.438 115.700 0.198 0.000 2.371 301 S HA -0.095 4.374 4.470 -0.002 0.000 0.224 301 S C 1.808 176.416 174.600 0.013 0.000 1.029 301 S CA 0.478 58.609 58.200 -0.115 0.000 0.978 301 S CB -0.519 62.437 63.200 -0.407 0.000 0.833 301 S HN 0.399 nan 8.310 nan 0.000 0.466 302 Y N 2.495 122.822 120.300 0.045 0.000 2.193 302 Y HA -0.210 4.339 4.550 -0.002 0.000 0.285 302 Y C 2.247 178.192 175.900 0.076 0.000 1.166 302 Y CA 1.157 59.276 58.100 0.031 0.000 1.181 302 Y CB -0.402 38.070 38.460 0.020 0.000 0.976 302 Y HN 0.032 nan 8.280 nan 0.000 0.520 303 V N 0.915 120.951 119.914 0.205 0.000 2.358 303 V HA -0.314 3.805 4.120 -0.002 0.000 0.246 303 V C 2.410 178.567 176.094 0.105 0.000 1.047 303 V CA 2.016 64.405 62.300 0.147 0.000 1.035 303 V CB -0.897 31.015 31.823 0.148 0.000 0.658 303 V HN 0.587 nan 8.190 nan 0.000 0.452 304 N N 0.247 119.032 118.700 0.141 0.000 2.223 304 N HA -0.232 4.507 4.740 -0.002 0.000 0.185 304 N C 1.887 177.434 175.510 0.062 0.000 1.016 304 N CA 1.694 54.824 53.050 0.134 0.000 0.863 304 N CB -0.287 38.358 38.487 0.265 0.000 0.983 304 N HN 0.452 nan 8.380 nan 0.000 0.429 305 F N 1.218 121.092 119.950 -0.126 0.000 2.259 305 F HA 0.064 4.590 4.527 -0.002 0.000 0.298 305 F C 2.205 177.904 175.800 -0.168 0.000 1.088 305 F CA 0.517 58.409 58.000 -0.181 0.000 1.358 305 F CB -0.357 38.458 39.000 -0.308 0.000 1.040 305 F HN -0.144 nan 8.300 nan 0.000 0.505 306 V N 0.465 120.451 119.914 0.120 0.000 2.453 306 V HA -0.257 3.861 4.120 -0.002 0.000 0.247 306 V C 2.366 178.464 176.094 0.007 0.000 1.048 306 V CA 1.881 64.232 62.300 0.084 0.000 1.049 306 V CB -0.501 31.363 31.823 0.068 0.000 0.672 306 V HN 0.228 nan 8.190 nan 0.000 0.457 307 K N -0.047 120.347 120.400 -0.010 0.000 2.063 307 K HA -0.201 4.118 4.320 -0.002 0.000 0.208 307 K C 2.492 179.050 176.600 -0.069 0.000 1.048 307 K CA 1.785 58.047 56.287 -0.042 0.000 0.928 307 K CB -0.383 32.102 32.500 -0.024 0.000 0.713 307 K HN 0.455 nan 8.250 nan 0.000 0.442 308 S N 0.959 116.593 115.700 -0.110 0.000 2.348 308 S HA -0.215 4.254 4.470 -0.002 0.000 0.221 308 S C 2.013 176.546 174.600 -0.111 0.000 1.033 308 S CA 1.531 59.642 58.200 -0.147 0.000 1.010 308 S CB -0.135 62.906 63.200 -0.265 0.000 0.891 308 S HN 0.336 nan 8.310 nan 0.000 0.442 309 E N -0.109 120.019 120.200 -0.120 0.000 2.150 309 E HA -0.072 4.277 4.350 -0.002 0.000 0.193 309 E C 0.986 177.670 176.600 0.140 0.000 0.985 309 E CA 0.222 56.637 56.400 0.025 0.000 0.814 309 E CB -0.186 29.576 29.700 0.105 0.000 0.752 309 E HN 0.473 nan 8.360 nan 0.000 0.466 313 N N 1.122 119.888 118.700 0.109 0.000 2.369 313 N HA 0.142 4.881 4.740 -0.002 0.000 0.287 313 N C 1.056 176.553 175.510 -0.023 0.000 1.067 313 N CA -0.341 52.676 53.050 -0.055 0.000 0.888 313 N CB 2.230 40.517 38.487 -0.334 0.000 1.616 313 N HN 0.053 nan 8.380 nan 0.000 0.482 314 K N 3.861 124.215 120.400 -0.077 0.000 2.091 314 K HA -0.329 3.989 4.320 -0.002 0.000 0.225 314 K C 1.466 177.998 176.600 -0.113 0.000 1.028 314 K CA 3.145 59.385 56.287 -0.079 0.000 0.965 314 K CB -1.083 31.358 32.500 -0.097 0.000 0.786 314 K HN 0.570 nan 8.250 nan 0.000 0.459 315 A N -0.645 122.043 122.820 -0.220 0.000 1.997 315 A HA -0.032 4.287 4.320 -0.002 0.000 0.221 315 A C 1.484 178.724 177.584 -0.573 0.000 1.172 315 A CA 1.794 53.572 52.037 -0.432 0.000 0.645 315 A CB -0.611 18.023 19.000 -0.610 0.000 0.813 315 A HN 0.405 nan 8.150 nan 0.000 0.454 316 F N -3.427 116.533 119.950 0.017 0.000 2.893 316 F HA 0.419 4.945 4.527 -0.002 0.000 0.152 316 F C 1.686 177.498 175.800 0.020 0.000 1.391 316 F CA -0.059 57.962 58.000 0.034 0.000 0.935 316 F CB -0.363 38.676 39.000 0.064 0.000 2.055 316 F HN 0.058 nan 8.300 nan 0.000 0.498 317 K N 0.128 120.681 120.400 0.254 0.000 8.880 317 K HA -0.365 3.953 4.320 -0.002 0.000 0.492 317 K C 1.407 178.059 176.600 0.088 0.000 0.399 317 K CA 2.136 58.499 56.287 0.127 0.000 1.911 317 K CB -1.377 31.175 32.500 0.086 0.000 0.814 317 K HN 0.586 nan 8.250 nan 0.000 1.000 318 D N 1.226 121.669 120.400 0.072 0.000 2.280 318 D HA -0.139 4.499 4.640 -0.002 0.000 0.206 318 D C 0.372 176.714 176.300 0.071 0.000 0.988 318 D CA 1.380 55.412 54.000 0.054 0.000 0.886 318 D CB 0.014 40.833 40.800 0.031 0.000 0.914 318 D HN 0.505 nan 8.370 nan 0.000 0.473 319 E N 0.022 120.290 120.200 0.113 0.000 2.316 319 E HA 0.234 4.582 4.350 -0.002 0.000 0.258 319 E C -0.167 176.490 176.600 0.094 0.000 0.952 319 E CA -0.780 55.691 56.400 0.119 0.000 0.818 319 E CB 1.349 31.167 29.700 0.197 0.000 1.260 319 E HN -0.073 nan 8.360 nan 0.000 0.416 320 N N 1.506 120.251 118.700 0.075 0.000 2.419 320 N HA 0.035 4.774 4.740 -0.002 0.000 0.264 320 N C 0.732 176.261 175.510 0.033 0.000 1.031 320 N CA -0.184 52.893 53.050 0.045 0.000 0.951 320 N CB 0.995 39.502 38.487 0.034 0.000 1.101 320 N HN 0.406 nan 8.380 nan 0.000 0.488 321 L N 5.938 127.166 121.223 0.008 0.000 1.971 321 L HA -0.078 4.261 4.340 -0.002 0.000 0.215 321 L C 2.213 179.070 176.870 -0.022 0.000 1.072 321 L CA 2.507 57.331 54.840 -0.026 0.000 0.758 321 L CB -1.045 40.995 42.059 -0.032 0.000 0.889 321 L HN 0.784 nan 8.230 nan 0.000 0.433 322 G N -0.815 107.978 108.800 -0.012 0.000 2.547 322 G HA2 -0.385 3.573 3.960 -0.002 0.000 0.221 322 G HA3 -0.385 3.573 3.960 -0.002 0.000 0.221 322 G C 1.495 176.394 174.900 -0.003 0.000 1.140 322 G CA 1.302 46.396 45.100 -0.011 0.000 0.760 322 G HN 0.613 nan 8.290 nan 0.000 0.583 323 N N -0.182 118.525 118.700 0.011 0.000 2.135 323 N HA -0.076 4.663 4.740 -0.002 0.000 0.186 323 N C 2.339 177.872 175.510 0.037 0.000 1.027 323 N CA 1.113 54.178 53.050 0.026 0.000 0.849 323 N CB -0.097 38.415 38.487 0.041 0.000 1.002 323 N HN 0.179 nan 8.380 nan 0.000 0.425 324 V N 2.373 122.309 119.914 0.036 0.000 2.392 324 V HA -0.218 3.901 4.120 -0.002 0.000 0.249 324 V C 2.346 178.440 176.094 0.000 0.000 1.059 324 V CA 1.330 63.653 62.300 0.037 0.000 1.051 324 V CB -0.438 31.347 31.823 -0.064 0.000 0.658 324 V HN 0.299 nan 8.190 nan 0.000 0.455 325 L N -0.589 120.620 121.223 -0.025 0.000 2.046 325 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 325 L C 1.576 178.453 176.870 0.011 0.000 1.077 325 L CA 1.055 55.884 54.840 -0.018 0.000 0.747 325 L CB -0.473 41.571 42.059 -0.024 0.000 0.896 325 L HN 0.354 nan 8.230 nan 0.000 0.432 326 Q N 0.401 120.210 119.800 0.015 0.000 2.938 326 Q HA 0.074 4.413 4.340 -0.002 0.000 0.343 326 Q C 0.740 176.761 176.000 0.035 0.000 1.185 326 Q CA 0.260 56.075 55.803 0.020 0.000 0.939 326 Q CB 0.064 28.806 28.738 0.006 0.000 1.480 326 Q HN 0.447 nan 8.270 nan 0.000 0.442 327 S N -2.903 112.830 115.700 0.054 0.000 3.067 327 S HA 0.340 4.809 4.470 -0.002 0.000 0.253 327 S C 0.953 175.609 174.600 0.094 0.000 0.942 327 S CA 0.035 58.280 58.200 0.076 0.000 1.197 327 S CB 0.427 63.687 63.200 0.101 0.000 1.143 327 S HN 0.439 nan 8.310 nan 0.000 0.638 328 G N 2.642 111.495 108.800 0.090 0.000 2.176 328 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.252 328 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.252 328 G C 0.104 175.082 174.900 0.131 0.000 1.024 328 G CA 0.255 45.420 45.100 0.108 0.000 0.755 328 G HN 1.287 nan 8.290 nan 0.000 0.507 329 I N -2.718 117.933 120.570 0.134 0.000 2.720 329 I HA 0.690 4.859 4.170 -0.002 0.000 0.287 329 I C 0.246 176.463 176.117 0.167 0.000 1.090 329 I CA -0.475 60.926 61.300 0.168 0.000 1.384 329 I CB 0.857 38.964 38.000 0.177 0.000 1.420 329 I HN -0.049 nan 8.210 nan 0.000 0.575 330 K N 5.965 126.500 120.400 0.224 0.000 2.345 330 K HA 0.648 4.967 4.320 -0.002 0.000 0.255 330 K C -1.222 175.541 176.600 0.271 0.000 0.934 330 K CA -0.580 55.868 56.287 0.267 0.000 0.801 330 K CB 2.479 35.171 32.500 0.321 0.000 1.137 330 K HN 0.571 nan 8.250 nan 0.000 0.424 331 I N 3.356 124.029 120.570 0.172 0.000 2.406 331 I HA 0.305 4.473 4.170 -0.002 0.000 0.290 331 I C -1.139 175.056 176.117 0.130 0.000 0.999 331 I CA -0.990 60.408 61.300 0.164 0.000 1.124 331 I CB 0.937 38.972 38.000 0.058 0.000 1.289 331 I HN 0.436 nan 8.210 nan 0.000 0.441 332 Y N 3.900 124.256 120.300 0.093 0.000 2.328 332 Y HA 0.525 5.073 4.550 -0.002 0.000 0.337 332 Y C 0.659 176.583 175.900 0.040 0.000 0.966 332 Y CA -0.851 57.299 58.100 0.083 0.000 1.136 332 Y CB 1.988 40.455 38.460 0.013 0.000 1.170 332 Y HN 0.551 nan 8.280 nan 0.000 0.470 333 T N -0.635 114.010 114.554 0.152 0.000 2.926 333 T HA 0.607 4.955 4.350 -0.002 0.000 0.289 333 T C -0.293 174.429 174.700 0.038 0.000 1.054 333 T CA -1.104 61.056 62.100 0.100 0.000 1.015 333 T CB 1.388 70.344 68.868 0.148 0.000 1.167 333 T HN 0.537 nan 8.240 nan 0.000 0.526 337 K N 2.075 122.437 120.400 -0.063 0.000 2.052 337 K HA -0.240 4.078 4.320 -0.002 0.000 0.215 337 K C 1.013 177.641 176.600 0.047 0.000 1.053 337 K CA 1.306 57.632 56.287 0.064 0.000 0.934 337 K CB -0.122 32.439 32.500 0.101 0.000 0.717 337 K HN 0.264 nan 8.250 nan 0.000 0.450 338 D N 0.766 121.173 120.400 0.011 0.000 2.158 338 D HA -0.122 4.517 4.640 -0.002 0.000 0.197 338 D C 2.090 178.374 176.300 -0.026 0.000 0.995 338 D CA 1.345 55.343 54.000 -0.004 0.000 0.846 338 D CB -0.005 40.795 40.800 -0.000 0.000 0.941 338 D HN 0.122 nan 8.370 nan 0.000 0.456 339 V N 0.647 120.533 119.914 -0.047 0.000 2.379 339 V HA -0.222 3.897 4.120 -0.002 0.000 0.245 339 V C 2.466 178.517 176.094 -0.072 0.000 1.044 339 V CA 1.357 63.601 62.300 -0.093 0.000 1.036 339 V CB -0.425 31.295 31.823 -0.172 0.000 0.664 339 V HN 0.092 nan 8.190 nan 0.000 0.453 340 Q N 0.790 120.566 119.800 -0.040 0.000 2.124 340 Q HA -0.197 4.141 4.340 -0.002 0.000 0.202 340 Q C 2.082 178.066 176.000 -0.028 0.000 0.977 340 Q CA 1.834 57.636 55.803 -0.003 0.000 0.850 340 Q CB -0.314 28.470 28.738 0.077 0.000 0.901 340 Q HN 0.599 nan 8.270 nan 0.000 0.429 341 K N -1.216 119.156 120.400 -0.046 0.000 2.097 341 K HA -0.037 4.281 4.320 -0.002 0.000 0.205 341 K C 2.091 178.659 176.600 -0.053 0.000 1.050 341 K CA 1.554 57.792 56.287 -0.081 0.000 0.938 341 K CB -0.071 32.383 32.500 -0.077 0.000 0.718 341 K HN 0.163 nan 8.250 nan 0.000 0.442 342 T N 1.579 116.108 114.554 -0.043 0.000 2.857 342 T HA -0.073 4.275 4.350 -0.002 0.000 0.266 342 T C 1.631 176.317 174.700 -0.024 0.000 1.048 342 T CA 0.745 62.824 62.100 -0.034 0.000 1.139 342 T CB -0.104 68.738 68.868 -0.043 0.000 0.874 342 T HN 0.058 nan 8.240 nan 0.000 0.455 343 L N 1.264 122.467 121.223 -0.033 0.000 2.027 343 L HA 0.001 4.340 4.340 -0.002 0.000 0.206 343 L C 2.382 179.260 176.870 0.012 0.000 1.074 343 L CA 1.905 56.734 54.840 -0.018 0.000 0.745 343 L CB -0.808 41.232 42.059 -0.033 0.000 0.898 343 L HN 0.097 nan 8.230 nan 0.000 0.433 344 Q N -0.630 119.168 119.800 -0.002 0.000 2.123 344 Q HA -0.106 4.233 4.340 -0.002 0.000 0.196 344 Q C 1.993 177.998 176.000 0.009 0.000 0.958 344 Q CA 1.349 57.157 55.803 0.008 0.000 0.841 344 Q CB -0.222 28.509 28.738 -0.013 0.000 0.915 344 Q HN 0.497 nan 8.270 nan 0.000 0.455 345 N N 0.988 119.681 118.700 -0.011 0.000 2.091 345 N HA -0.165 4.573 4.740 -0.002 0.000 0.193 345 N C 0.975 176.501 175.510 0.026 0.000 1.021 345 N CA 1.706 54.751 53.050 -0.008 0.000 0.862 345 N CB -0.359 38.116 38.487 -0.019 0.000 1.018 345 N HN 0.342 nan 8.380 nan 0.000 0.429 346 D N -0.346 120.088 120.400 0.058 0.000 2.162 346 D HA -0.004 4.634 4.640 -0.002 0.000 0.203 346 D C 2.048 178.469 176.300 0.201 0.000 0.967 346 D CA 0.266 54.340 54.000 0.124 0.000 0.840 346 D CB -0.249 40.631 40.800 0.133 0.000 0.972 346 D HN -0.021 nan 8.370 nan 0.000 0.482 347 V N 1.203 121.229 119.914 0.187 0.000 2.392 347 V HA -0.209 3.910 4.120 -0.002 0.000 0.249 347 V C 1.108 177.294 176.094 0.154 0.000 1.059 347 V CA 1.754 64.203 62.300 0.248 0.000 1.051 347 V CB -0.299 31.620 31.823 0.160 0.000 0.658 347 V HN 0.099 nan 8.190 nan 0.000 0.455 348 D N -0.645 119.786 120.400 0.052 0.000 2.340 348 D HA 0.039 4.678 4.640 -0.002 0.000 0.220 348 D C 1.351 177.631 176.300 -0.035 0.000 1.039 348 D CA 0.406 54.394 54.000 -0.020 0.000 0.866 348 D CB -0.007 40.777 40.800 -0.027 0.000 0.913 348 D HN 0.428 nan 8.370 nan 0.000 0.523 349 N N -0.590 118.098 118.700 -0.020 0.000 2.067 349 N HA 0.068 4.807 4.740 -0.002 0.000 0.227 349 N C 0.869 176.288 175.510 -0.152 0.000 1.348 349 N CA -0.038 52.974 53.050 -0.063 0.000 0.879 349 N CB 1.548 40.014 38.487 -0.036 0.000 1.109 349 N HN 0.012 nan 8.380 nan 0.000 0.501 350 G N 0.876 109.509 108.800 -0.278 0.000 2.614 350 G HA2 0.173 4.132 3.960 -0.002 0.000 0.239 350 G HA3 0.173 4.132 3.960 -0.002 0.000 0.239 350 G C 0.743 175.087 174.900 -0.928 0.000 1.240 350 G CA 0.017 44.518 45.100 -0.998 0.000 0.842 350 G HN 0.155 nan 8.290 nan 0.000 0.584 351 S N -0.493 114.586 115.700 -1.036 0.000 2.593 351 S HA 0.161 4.630 4.470 -0.002 0.000 0.236 351 S C 0.570 174.768 174.600 -0.670 0.000 0.991 351 S CA -0.559 57.297 58.200 -0.575 0.000 0.963 351 S CB -0.204 62.819 63.200 -0.295 0.000 0.865 351 S HN 0.615 nan 8.310 nan 0.000 0.488 352 F N 0.825 120.319 119.950 -0.759 0.000 2.949 352 F HA 0.614 5.140 4.527 -0.002 0.000 0.291 352 F C -0.743 174.071 175.800 -1.644 0.000 1.214 352 F CA -1.486 55.829 58.000 -1.143 0.000 1.381 352 F CB -0.962 37.556 39.000 -0.804 0.000 1.066 352 F HN 0.009 nan 8.300 nan 0.000 0.520 353 Y N 0.316 120.192 120.300 -0.706 0.000 2.350 353 Y HA 0.356 4.904 4.550 -0.002 0.000 0.338 353 Y C 1.201 176.893 175.900 -0.346 0.000 0.961 353 Y CA -1.841 55.951 58.100 -0.513 0.000 1.100 353 Y CB 1.755 40.017 38.460 -0.330 0.000 1.179 353 Y HN 0.019 nan 8.280 nan 0.000 0.454 354 K N 1.977 122.378 120.400 0.001 0.000 2.057 354 K HA -0.132 4.187 4.320 -0.002 0.000 0.207 354 K C -0.451 176.236 176.600 0.145 0.000 1.049 354 K CA 1.721 58.127 56.287 0.199 0.000 0.931 354 K CB 0.162 32.909 32.500 0.412 0.000 0.714 354 K HN 0.982 nan 8.250 nan 0.000 0.440 355 N N -2.624 116.162 118.700 0.143 0.000 3.185 355 N HA -0.028 4.710 4.740 -0.002 0.000 0.238 355 N C -0.299 175.232 175.510 0.035 0.000 1.451 355 N CA -0.789 52.314 53.050 0.088 0.000 0.888 355 N CB 0.710 39.263 38.487 0.109 0.000 1.413 355 N HN -0.122 nan 8.380 nan 0.000 0.511 356 K N -0.920 119.477 120.400 -0.005 0.000 2.173 356 K HA -0.239 4.080 4.320 -0.002 0.000 0.207 356 K C -0.171 176.406 176.600 -0.039 0.000 1.046 356 K CA 1.993 58.247 56.287 -0.054 0.000 0.929 356 K CB -0.434 32.041 32.500 -0.041 0.000 0.720 356 K HN 0.478 nan 8.250 nan 0.000 0.453 357 D N 1.175 121.600 120.400 0.041 0.000 2.350 357 D HA -0.093 4.546 4.640 -0.002 0.000 0.216 357 D C 0.518 176.838 176.300 0.034 0.000 0.968 357 D CA 0.690 54.744 54.000 0.090 0.000 0.894 357 D CB -0.052 40.863 40.800 0.192 0.000 0.909 357 D HN 0.438 nan 8.370 nan 0.000 0.520 358 Q N 0.618 120.338 119.800 -0.133 0.000 2.327 358 Q HA 0.182 4.520 4.340 -0.002 0.000 0.254 358 Q C -0.409 175.396 176.000 -0.327 0.000 0.952 358 Q CA -0.012 55.452 55.803 -0.565 0.000 0.884 358 Q CB 0.696 29.076 28.738 -0.596 0.000 1.224 358 Q HN 0.096 nan 8.270 nan 0.000 0.422 359 Q N 1.162 120.758 119.800 -0.340 0.000 2.458 359 Q HA 0.717 5.056 4.340 -0.002 0.000 0.282 359 Q C -1.699 174.210 176.000 -0.151 0.000 1.106 359 Q CA -0.877 54.851 55.803 -0.125 0.000 0.814 359 Q CB 2.777 31.572 28.738 0.095 0.000 1.425 359 Q HN 0.484 nan 8.270 nan 0.000 0.437 360 V N -0.418 119.529 119.914 0.055 0.000 2.971 360 V HA 0.912 5.031 4.120 -0.002 0.000 0.309 360 V C -1.377 174.857 176.094 0.234 0.000 1.130 360 V CA -0.290 62.063 62.300 0.089 0.000 0.964 360 V CB 2.171 34.082 31.823 0.147 0.000 1.029 360 V HN 0.829 nan 8.190 nan 0.000 0.427 361 G N 3.646 112.602 108.800 0.259 0.000 2.687 361 G HA2 0.881 4.840 3.960 -0.002 0.000 0.301 361 G HA3 0.881 4.840 3.960 -0.002 0.000 0.301 361 G C -1.106 173.844 174.900 0.083 0.000 1.416 361 G CA -0.128 45.057 45.100 0.142 0.000 1.005 361 G HN 1.521 nan 8.290 nan 0.000 0.509 362 A N 1.556 124.408 122.820 0.055 0.000 2.429 362 A HA 0.815 5.134 4.320 -0.002 0.000 0.289 362 A C -0.388 177.219 177.584 0.039 0.000 1.043 362 A CA -0.582 51.489 52.037 0.057 0.000 0.722 362 A CB 1.635 20.664 19.000 0.048 0.000 1.243 362 A HN 0.702 nan 8.150 nan 0.000 0.415 363 T N 3.037 117.630 114.554 0.064 0.000 2.786 363 T HA 0.556 4.905 4.350 -0.002 0.000 0.283 363 T C -0.262 174.458 174.700 0.033 0.000 0.992 363 T CA 0.004 62.124 62.100 0.032 0.000 0.954 363 T CB 0.564 69.467 68.868 0.060 0.000 0.934 363 T HN 0.456 nan 8.240 nan 0.000 0.440 364 I N 4.982 125.538 120.570 -0.023 0.000 2.336 364 I HA 0.476 4.644 4.170 -0.002 0.000 0.292 364 I C -0.467 175.621 176.117 -0.049 0.000 0.991 364 I CA -0.921 60.350 61.300 -0.048 0.000 1.227 364 I CB 1.054 38.948 38.000 -0.177 0.000 1.366 364 I HN 0.462 nan 8.210 nan 0.000 0.466 365 L N 3.440 124.672 121.223 0.016 0.000 2.333 365 L HA 0.679 5.018 4.340 -0.002 0.000 0.263 365 L C -0.572 176.370 176.870 0.119 0.000 1.014 365 L CA -0.786 54.062 54.840 0.013 0.000 0.820 365 L CB 1.186 43.229 42.059 -0.027 0.000 1.352 365 L HN 0.380 nan 8.230 nan 0.000 0.421 366 D N 0.730 121.194 120.400 0.106 0.000 2.346 366 D HA 0.199 4.837 4.640 -0.002 0.000 0.260 366 D C 0.735 177.100 176.300 0.108 0.000 1.252 366 D CA 0.494 54.593 54.000 0.164 0.000 0.895 366 D CB 1.184 42.039 40.800 0.092 0.000 1.097 366 D HN 0.672 nan 8.370 nan 0.000 0.489 367 S N 4.017 119.804 115.700 0.145 0.000 2.377 367 S HA -0.280 4.188 4.470 -0.002 0.000 0.224 367 S C 1.631 176.285 174.600 0.090 0.000 1.042 367 S CA 1.547 59.828 58.200 0.135 0.000 1.086 367 S CB -0.272 63.040 63.200 0.187 0.000 0.995 367 S HN 0.570 nan 8.310 nan 0.000 0.428 368 K N 0.523 120.966 120.400 0.072 0.000 2.052 368 K HA -0.162 4.157 4.320 -0.002 0.000 0.215 368 K C 2.600 179.239 176.600 0.065 0.000 1.053 368 K CA 2.111 58.436 56.287 0.063 0.000 0.934 368 K CB -0.600 31.925 32.500 0.043 0.000 0.717 368 K HN 0.694 nan 8.250 nan 0.000 0.450 369 T N -4.902 109.692 114.554 0.066 0.000 3.015 369 T HA 0.246 4.595 4.350 -0.002 0.000 0.250 369 T C 1.409 176.180 174.700 0.120 0.000 1.057 369 T CA 0.496 62.658 62.100 0.103 0.000 1.066 369 T CB 0.736 69.671 68.868 0.112 0.000 0.959 369 T HN 0.353 nan 8.240 nan 0.000 0.488 370 G N 0.863 109.686 108.800 0.038 0.000 2.157 370 G HA2 -0.045 3.914 3.960 -0.002 0.000 0.239 370 G HA3 -0.045 3.914 3.960 -0.002 0.000 0.239 370 G C 0.439 175.205 174.900 -0.222 0.000 0.982 370 G CA -0.134 44.956 45.100 -0.016 0.000 0.650 370 G HN 1.034 nan 8.290 nan 0.000 0.527 371 G N -0.367 108.208 108.800 -0.375 0.000 2.442 371 G HA2 0.555 4.514 3.960 -0.002 0.000 0.249 371 G HA3 0.555 4.514 3.960 -0.002 0.000 0.249 371 G C 0.117 174.792 174.900 -0.374 0.000 1.263 371 G CA -0.153 44.500 45.100 -0.745 0.000 0.846 371 G HN 1.009 nan 8.290 nan 0.000 0.555 372 L N 4.160 125.150 121.223 -0.389 0.000 2.363 372 L HA 0.228 4.567 4.340 -0.002 0.000 0.286 372 L C 1.212 178.048 176.870 -0.057 0.000 1.106 372 L CA 0.104 54.790 54.840 -0.257 0.000 0.859 372 L CB 1.122 42.884 42.059 -0.494 0.000 1.223 372 L HN 0.285 nan 8.230 nan 0.000 0.446 373 V N 5.224 125.106 119.914 -0.054 0.000 2.407 373 V HA 0.403 4.522 4.120 -0.002 0.000 0.245 373 V C 0.880 176.953 176.094 -0.035 0.000 1.041 373 V CA 1.189 63.462 62.300 -0.046 0.000 1.040 373 V CB 0.172 31.954 31.823 -0.067 0.000 0.671 373 V HN 0.919 nan 8.190 nan 0.000 0.455 374 A N -0.671 122.141 122.820 -0.013 0.000 2.604 374 A HA 0.732 5.051 4.320 -0.002 0.000 0.295 374 A C -1.360 176.228 177.584 0.006 0.000 1.067 374 A CA -0.323 51.730 52.037 0.026 0.000 0.683 374 A CB 1.721 20.680 19.000 -0.069 0.000 1.281 374 A HN 0.190 nan 8.150 nan 0.000 0.407 375 I N 0.511 121.101 120.570 0.034 0.000 2.787 375 I HA 0.562 4.731 4.170 -0.002 0.000 0.294 375 I C -1.214 174.877 176.117 -0.044 0.000 1.365 375 I CA -0.084 61.192 61.300 -0.040 0.000 1.029 375 I CB 2.281 40.201 38.000 -0.133 0.000 1.313 375 I HN 0.710 nan 8.210 nan 0.000 0.431 376 S N 3.652 119.314 115.700 -0.063 0.000 2.647 376 S HA 0.583 5.052 4.470 -0.002 0.000 0.300 376 S C 0.481 174.991 174.600 -0.149 0.000 1.129 376 S CA -0.023 58.123 58.200 -0.089 0.000 1.029 376 S CB 1.467 64.660 63.200 -0.011 0.000 1.007 376 S HN 0.874 nan 8.310 nan 0.000 0.484 377 G N 2.287 110.860 108.800 -0.378 0.000 2.985 377 G HA2 0.535 4.494 3.960 -0.002 0.000 0.209 377 G HA3 0.535 4.494 3.960 -0.002 0.000 0.209 377 G C 0.706 175.599 174.900 -0.011 0.000 1.165 377 G CA 0.203 45.059 45.100 -0.406 0.000 0.776 377 G HN 1.296 nan 8.290 nan 0.000 0.541 378 G N -0.211 108.630 108.800 0.069 0.000 2.356 378 G HA2 0.262 4.220 3.960 -0.002 0.000 0.300 378 G HA3 0.262 4.220 3.960 -0.002 0.000 0.300 378 G C -0.913 174.047 174.900 0.101 0.000 1.331 378 G CA -1.244 43.939 45.100 0.137 0.000 0.905 378 G HN 0.403 nan 8.290 nan 0.000 0.587 379 R N 0.453 120.955 120.500 0.003 0.000 2.449 379 R HA 0.370 4.709 4.340 -0.002 0.000 0.296 379 R C -0.634 175.660 176.300 -0.010 0.000 1.047 379 R CA 0.461 56.518 56.100 -0.071 0.000 1.018 379 R CB 0.186 30.318 30.300 -0.280 0.000 0.962 379 R HN 0.539 nan 8.270 nan 0.000 0.428 380 D N 0.370 120.775 120.400 0.008 0.000 2.945 380 D HA -0.234 4.405 4.640 -0.002 0.000 0.225 380 D C -0.330 176.005 176.300 0.059 0.000 1.158 380 D CA 0.895 54.903 54.000 0.013 0.000 0.805 380 D CB -1.739 39.039 40.800 -0.038 0.000 1.098 380 D HN 0.620 nan 8.370 nan 0.000 0.426 381 F N 1.339 121.276 119.950 -0.022 0.000 2.612 381 F HA 0.072 4.597 4.527 -0.002 0.000 0.389 381 F C 0.988 176.787 175.800 -0.002 0.000 1.055 381 F CA 0.553 58.551 58.000 -0.004 0.000 1.232 381 F CB 0.393 39.403 39.000 0.015 0.000 1.044 381 F HN -0.185 nan 8.300 nan 0.000 0.560 382 K N 4.530 124.521 120.400 -0.683 0.000 2.306 382 K HA 0.171 4.490 4.320 -0.002 0.000 0.236 382 K C 0.138 176.169 176.600 -0.948 0.000 1.013 382 K CA -0.825 55.145 56.287 -0.528 0.000 0.857 382 K CB 1.546 33.874 32.500 -0.287 0.000 1.214 382 K HN 0.576 nan 8.250 nan 0.000 0.449 383 D N 0.219 120.377 120.400 -0.403 0.000 2.178 383 D HA -0.094 4.545 4.640 -0.002 0.000 0.217 383 D C 1.440 177.635 176.300 -0.175 0.000 0.992 383 D CA 1.165 55.038 54.000 -0.212 0.000 0.895 383 D CB 0.042 40.853 40.800 0.018 0.000 1.031 383 D HN 0.217 nan 8.370 nan 0.000 0.453 384 V N 0.304 120.147 119.914 -0.118 0.000 2.667 384 V HA -0.089 4.030 4.120 -0.002 0.000 0.252 384 V C 2.538 178.563 176.094 -0.116 0.000 1.065 384 V CA 0.855 63.107 62.300 -0.082 0.000 1.083 384 V CB -0.063 31.727 31.823 -0.056 0.000 0.692 384 V HN 0.130 nan 8.190 nan 0.000 0.468 385 V N 0.268 120.077 119.914 -0.174 0.000 2.809 385 V HA -0.049 4.070 4.120 -0.002 0.000 0.256 385 V C 0.691 176.681 176.094 -0.173 0.000 1.080 385 V CA 1.273 63.478 62.300 -0.157 0.000 1.102 385 V CB -0.674 31.056 31.823 -0.155 0.000 0.705 385 V HN 0.647 nan 8.190 nan 0.000 0.475 386 N N -0.869 117.660 118.700 -0.286 0.000 2.240 386 N HA 0.515 5.254 4.740 -0.002 0.000 0.302 386 N C -0.607 174.911 175.510 0.013 0.000 1.106 386 N CA -0.842 52.092 53.050 -0.194 0.000 0.778 386 N CB 1.538 39.831 38.487 -0.323 0.000 1.431 386 N HN -0.020 nan 8.380 nan 0.000 0.479 387 R N 1.243 121.815 120.500 0.119 0.000 2.489 387 R HA 0.081 4.420 4.340 -0.002 0.000 0.287 387 R C -0.243 176.278 176.300 0.370 0.000 1.053 387 R CA -0.186 56.023 56.100 0.182 0.000 1.036 387 R CB 0.036 30.399 30.300 0.104 0.000 0.966 387 R HN 0.470 nan 8.270 nan 0.000 0.432 388 N N 3.192 122.088 118.700 0.327 0.000 2.421 388 N HA -0.048 4.691 4.740 -0.002 0.000 0.260 388 N C -0.036 175.514 175.510 0.066 0.000 1.173 388 N CA 0.127 53.255 53.050 0.130 0.000 0.960 388 N CB 0.985 39.466 38.487 -0.010 0.000 1.273 388 N HN 0.471 nan 8.380 nan 0.000 0.497 389 Q N 2.597 122.453 119.800 0.094 0.000 2.364 389 Q HA 0.039 4.378 4.340 -0.002 0.000 0.209 389 Q C 1.521 177.566 176.000 0.074 0.000 0.977 389 Q CA 1.202 57.070 55.803 0.109 0.000 0.885 389 Q CB -0.037 28.804 28.738 0.172 0.000 0.941 389 Q HN 0.745 nan 8.270 nan 0.000 0.464 390 A N -0.736 122.100 122.820 0.027 0.000 1.935 390 A HA -0.065 4.253 4.320 -0.002 0.000 0.214 390 A C 2.021 179.660 177.584 0.091 0.000 1.178 390 A CA 1.544 53.610 52.037 0.048 0.000 0.640 390 A CB -0.383 18.623 19.000 0.011 0.000 0.825 390 A HN 0.451 nan 8.150 nan 0.000 0.447 391 T N -2.684 111.910 114.554 0.067 0.000 3.107 391 T HA 0.134 4.482 4.350 -0.002 0.000 0.249 391 T C 0.067 174.774 174.700 0.011 0.000 1.096 391 T CA -0.049 62.089 62.100 0.064 0.000 1.012 391 T CB -0.121 68.760 68.868 0.021 0.000 0.977 391 T HN 0.157 nan 8.240 nan 0.000 0.527 392 D N 3.147 123.530 120.400 -0.028 0.000 2.354 392 D HA 0.388 5.027 4.640 -0.002 0.000 0.247 392 D C -2.433 173.686 176.300 -0.302 0.000 1.138 392 D CA -1.745 52.141 54.000 -0.190 0.000 0.958 392 D CB 1.250 41.858 40.800 -0.319 0.000 1.144 392 D HN 0.174 nan 8.370 nan 0.000 0.458 393 P HA 0.348 nan 4.420 nan 0.000 0.287 393 P C -0.962 175.947 177.300 -0.651 0.000 1.270 393 P CA -0.291 62.614 63.100 -0.325 0.000 0.844 393 P CB 1.530 33.094 31.700 -0.227 0.000 1.068 394 H N -0.733 118.298 119.070 -0.064 0.000 3.085 394 H HA 0.274 4.828 4.556 -0.002 0.000 0.356 394 H C -2.625 172.857 175.328 0.258 0.000 1.178 394 H CA -1.633 54.394 56.048 -0.035 0.000 1.214 394 H CB 1.691 31.160 29.762 -0.489 0.000 1.881 394 H HN 0.190 nan 8.280 nan 0.000 0.538 395 P HA -0.038 nan 4.420 nan 0.000 0.265 395 P C 1.030 178.654 177.300 0.540 0.000 1.193 395 P CA 0.252 63.564 63.100 0.353 0.000 0.765 395 P CB 0.616 32.489 31.700 0.289 0.000 0.823 396 T N -0.324 114.390 114.554 0.268 0.000 3.107 396 T HA 0.269 4.617 4.350 -0.002 0.000 0.249 396 T C 1.213 175.851 174.700 -0.104 0.000 1.096 396 T CA 0.234 62.267 62.100 -0.112 0.000 1.012 396 T CB -0.831 67.945 68.868 -0.153 0.000 0.977 396 T HN 0.609 nan 8.240 nan 0.000 0.527 397 G N 2.484 111.361 108.800 0.130 0.000 2.602 397 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.306 397 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.306 397 G C 0.983 175.904 174.900 0.033 0.000 1.301 397 G CA 0.890 46.063 45.100 0.122 0.000 0.974 397 G HN 1.106 nan 8.290 nan 0.000 0.547 398 S N -0.382 115.342 115.700 0.039 0.000 2.701 398 S HA 0.317 4.785 4.470 -0.002 0.000 0.220 398 S C 1.977 176.561 174.600 -0.027 0.000 0.954 398 S CA 1.139 59.347 58.200 0.013 0.000 0.936 398 S CB 0.519 63.745 63.200 0.044 0.000 0.777 398 S HN 0.732 nan 8.310 nan 0.000 0.518 399 S N 1.950 117.598 115.700 -0.087 0.000 2.419 399 S HA 0.114 4.583 4.470 -0.002 0.000 0.233 399 S C 1.317 175.917 174.600 -0.001 0.000 1.016 399 S CA 0.871 59.021 58.200 -0.083 0.000 0.974 399 S CB -0.339 62.663 63.200 -0.331 0.000 0.786 399 S HN 0.584 nan 8.310 nan 0.000 0.492 400 L N 0.510 121.718 121.223 -0.025 0.000 2.628 400 L HA 0.203 4.542 4.340 -0.002 0.000 0.229 400 L C 1.735 178.542 176.870 -0.105 0.000 1.137 400 L CA 0.118 54.957 54.840 -0.001 0.000 0.909 400 L CB -0.180 41.945 42.059 0.109 0.000 1.137 400 L HN 0.154 nan 8.230 nan 0.000 0.470 401 K N 0.832 121.168 120.400 -0.107 0.000 2.103 401 K HA -0.138 4.180 4.320 -0.002 0.000 0.207 401 K C -0.562 175.972 176.600 -0.110 0.000 1.048 401 K CA 1.350 57.590 56.287 -0.078 0.000 0.930 401 K CB -0.833 31.705 32.500 0.064 0.000 0.716 401 K HN 0.244 nan 8.250 nan 0.000 0.444 402 P HA -0.146 nan 4.420 nan 0.000 0.218 402 P C 0.620 177.686 177.300 -0.391 0.000 1.149 402 P CA 1.294 64.160 63.100 -0.389 0.000 0.817 402 P CB 0.046 31.283 31.700 -0.771 0.000 0.785 403 F N -2.493 117.412 119.950 -0.074 0.000 2.698 403 F HA 0.186 4.712 4.527 -0.002 0.000 0.295 403 F C 1.941 177.732 175.800 -0.015 0.000 1.124 403 F CA 0.152 58.161 58.000 0.015 0.000 1.426 403 F CB -0.192 38.808 39.000 -0.001 0.000 1.120 403 F HN -0.215 nan 8.300 nan 0.000 0.583 404 L N -1.246 119.994 121.223 0.027 0.000 2.609 404 L HA 0.324 4.662 4.340 -0.002 0.000 0.230 404 L C 2.009 178.813 176.870 -0.111 0.000 1.064 404 L CA 0.492 55.308 54.840 -0.040 0.000 0.873 404 L CB -0.051 41.931 42.059 -0.128 0.000 1.139 404 L HN 0.086 nan 8.230 nan 0.000 0.490 405 A N -0.718 121.968 122.820 -0.224 0.000 2.265 405 A HA 0.051 4.370 4.320 -0.002 0.000 0.226 405 A C 1.681 179.016 177.584 -0.414 0.000 1.937 405 A CA 0.326 52.148 52.037 -0.358 0.000 0.771 405 A CB -0.781 17.821 19.000 -0.664 0.000 1.421 405 A HN 0.157 nan 8.150 nan 0.000 0.570 406 Y N 0.735 120.951 120.300 -0.141 0.000 2.220 406 Y HA 0.076 4.625 4.550 -0.002 0.000 0.291 406 Y C 2.762 178.515 175.900 -0.246 0.000 1.129 406 Y CA 0.696 58.715 58.100 -0.134 0.000 1.161 406 Y CB -1.025 37.412 38.460 -0.038 0.000 0.997 406 Y HN 0.365 nan 8.280 nan 0.000 0.522 407 G N 1.051 109.747 108.800 -0.174 0.000 2.459 407 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.217 407 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.217 407 G C -0.619 173.841 174.900 -0.733 0.000 1.183 407 G CA 1.067 45.943 45.100 -0.373 0.000 0.776 407 G HN 0.283 nan 8.290 nan 0.000 0.552 408 P HA -0.053 nan 4.420 nan 0.000 0.216 408 P C 2.138 179.132 177.300 -0.511 0.000 1.150 408 P CA 1.999 64.605 63.100 -0.823 0.000 0.837 408 P CB -0.200 31.172 31.700 -0.546 0.000 0.786 409 A N -0.648 121.843 122.820 -0.550 0.000 1.902 409 A HA -0.170 4.149 4.320 -0.002 0.000 0.217 409 A C 2.238 179.407 177.584 -0.691 0.000 1.181 409 A CA 1.462 53.004 52.037 -0.826 0.000 0.623 409 A CB -1.581 16.702 19.000 -1.194 0.000 0.818 409 A HN 0.127 nan 8.150 nan 0.000 0.443 410 I N -0.904 119.462 120.570 -0.341 0.000 2.252 410 I HA -0.197 3.971 4.170 -0.002 0.000 0.245 410 I C 2.515 178.667 176.117 0.059 0.000 1.102 410 I CA 1.672 62.935 61.300 -0.060 0.000 1.385 410 I CB -0.272 37.783 38.000 0.092 0.000 1.064 410 I HN 0.393 nan 8.210 nan 0.000 0.414 411 E N 1.367 121.541 120.200 -0.043 0.000 2.110 411 E HA -0.105 4.244 4.350 -0.002 0.000 0.193 411 E C 0.791 177.432 176.600 0.068 0.000 0.988 411 E CA 0.984 57.409 56.400 0.042 0.000 0.804 411 E CB 0.102 29.842 29.700 0.067 0.000 0.745 411 E HN 0.393 nan 8.360 nan 0.000 0.458 415 W N 2.264 123.562 121.300 -0.004 0.000 2.274 415 W HA 0.167 4.825 4.660 -0.002 0.000 0.345 415 W C 1.088 177.648 176.519 0.068 0.000 1.265 415 W CA -0.453 56.898 57.345 0.010 0.000 1.293 415 W CB -0.138 29.270 29.460 -0.088 0.000 1.175 415 W HN 0.228 nan 8.180 nan 0.000 0.577 416 A N 1.685 124.687 122.820 0.303 0.000 2.280 416 A HA 0.328 4.647 4.320 -0.002 0.000 0.268 416 A C 1.350 179.071 177.584 0.228 0.000 1.111 416 A CA 0.305 52.464 52.037 0.203 0.000 0.814 416 A CB -0.078 18.996 19.000 0.123 0.000 1.093 416 A HN 0.711 nan 8.150 nan 0.000 0.498 417 T N -1.162 113.492 114.554 0.168 0.000 3.098 417 T HA -0.079 4.269 4.350 -0.002 0.000 0.266 417 T C 0.855 175.633 174.700 0.130 0.000 1.145 417 T CA 1.386 63.581 62.100 0.159 0.000 1.092 417 T CB -0.457 68.485 68.868 0.124 0.000 0.908 417 T HN 0.605 nan 8.240 nan 0.000 0.526 418 N N 0.671 119.429 118.700 0.097 0.000 2.415 418 N HA -0.022 4.717 4.740 -0.002 0.000 0.176 418 N C 0.412 175.936 175.510 0.024 0.000 1.042 418 N CA 0.177 53.251 53.050 0.041 0.000 0.902 418 N CB -0.457 38.029 38.487 -0.002 0.000 0.986 418 N HN 0.593 nan 8.380 nan 0.000 0.447 419 H N 1.850 120.891 119.070 -0.049 0.000 3.254 419 H HA 0.087 4.641 4.556 -0.002 0.000 0.253 419 H C 0.231 175.427 175.328 -0.220 0.000 0.853 419 H CA -0.282 55.624 56.048 -0.236 0.000 1.404 419 H CB -0.024 29.443 29.762 -0.493 0.000 1.483 419 H HN 0.160 nan 8.280 nan 0.000 0.522 420 A N 5.614 128.153 122.820 -0.467 0.000 2.483 420 A HA 0.396 4.714 4.320 -0.002 0.000 0.238 420 A C -0.050 177.370 177.584 -0.273 0.000 1.070 420 A CA -0.042 51.822 52.037 -0.289 0.000 0.770 420 A CB 0.263 19.107 19.000 -0.259 0.000 1.008 420 A HN 0.780 nan 8.150 nan 0.000 0.497 421 I N 0.186 120.703 120.570 -0.089 0.000 2.769 421 I HA 0.245 4.414 4.170 -0.002 0.000 0.298 421 I C -0.436 175.662 176.117 -0.032 0.000 1.128 421 I CA -0.770 60.511 61.300 -0.031 0.000 1.031 421 I CB 2.319 40.373 38.000 0.089 0.000 1.235 421 I HN 0.700 nan 8.210 nan 0.000 0.423 422 Q N 3.973 123.745 119.800 -0.046 0.000 2.423 422 Q HA 0.172 4.511 4.340 -0.002 0.000 0.235 422 Q C -0.754 175.218 176.000 -0.048 0.000 1.100 422 Q CA -0.110 55.663 55.803 -0.051 0.000 0.908 422 Q CB 0.386 29.089 28.738 -0.058 0.000 1.312 422 Q HN 0.435 nan 8.270 nan 0.000 0.497 423 D N 2.914 123.296 120.400 -0.030 0.000 2.357 423 D HA 0.198 4.837 4.640 -0.002 0.000 0.242 423 D C -0.529 175.751 176.300 -0.033 0.000 1.153 423 D CA 0.207 54.193 54.000 -0.024 0.000 0.918 423 D CB 0.755 41.539 40.800 -0.027 0.000 1.181 423 D HN 0.647 nan 8.370 nan 0.000 0.435 424 E N -0.043 120.148 120.200 -0.016 0.000 2.459 424 E HA 0.246 4.595 4.350 -0.002 0.000 0.275 424 E C 0.052 176.652 176.600 0.001 0.000 0.987 424 E CA -0.669 55.728 56.400 -0.005 0.000 0.828 424 E CB 1.465 31.182 29.700 0.028 0.000 1.428 424 E HN 0.236 nan 8.360 nan 0.000 0.457 425 S N -0.562 115.140 115.700 0.004 0.000 2.357 425 S HA 0.061 4.530 4.470 -0.002 0.000 0.221 425 S C 0.279 174.909 174.600 0.050 0.000 1.031 425 S CA 0.889 59.091 58.200 0.003 0.000 0.982 425 S CB 0.148 63.345 63.200 -0.005 0.000 0.853 425 S HN 0.372 nan 8.310 nan 0.000 0.458 426 S N -1.697 114.055 115.700 0.086 0.000 2.607 426 S HA 0.640 5.109 4.470 -0.002 0.000 0.273 426 S C -1.705 173.040 174.600 0.242 0.000 1.148 426 S CA -0.607 57.674 58.200 0.135 0.000 0.833 426 S CB 1.869 65.117 63.200 0.079 0.000 1.130 426 S HN 0.446 nan 8.310 nan 0.000 0.470 427 Y N 0.919 121.280 120.300 0.101 0.000 2.534 427 Y HA 0.428 4.977 4.550 -0.002 0.000 0.345 427 Y C -1.503 174.475 175.900 0.130 0.000 1.031 427 Y CA -0.926 57.246 58.100 0.121 0.000 1.022 427 Y CB 1.399 39.954 38.460 0.159 0.000 1.292 427 Y HN 0.451 nan 8.280 nan 0.000 0.459 428 Q N 5.120 124.573 119.800 -0.578 0.000 2.425 428 Q HA 0.428 4.766 4.340 -0.002 0.000 0.254 428 Q C -1.413 174.261 176.000 -0.544 0.000 1.032 428 Q CA -0.699 54.856 55.803 -0.413 0.000 0.798 428 Q CB 1.841 30.442 28.738 -0.228 0.000 1.210 428 Q HN 0.426 nan 8.270 nan 0.000 0.491 429 V N 3.304 123.087 119.914 -0.218 0.000 2.380 429 V HA 0.253 4.372 4.120 -0.002 0.000 0.286 429 V C -0.048 176.095 176.094 0.082 0.000 1.015 429 V CA -0.623 61.664 62.300 -0.023 0.000 0.834 429 V CB 0.905 32.868 31.823 0.234 0.000 1.009 429 V HN 0.730 nan 8.190 nan 0.000 0.428 430 D N 3.524 123.940 120.400 0.026 0.000 3.395 430 D HA -0.183 4.456 4.640 -0.002 0.000 0.238 430 D C 1.047 177.342 176.300 -0.008 0.000 1.741 430 D CA 1.498 55.517 54.000 0.032 0.000 1.135 430 D CB -0.312 40.542 40.800 0.089 0.000 0.767 430 D HN 0.896 nan 8.370 nan 0.000 0.934 431 G N -0.013 108.786 108.800 -0.002 0.000 3.102 431 G HA2 0.428 4.387 3.960 -0.002 0.000 0.264 431 G HA3 0.428 4.387 3.960 -0.002 0.000 0.264 431 G C -0.597 174.253 174.900 -0.083 0.000 0.788 431 G CA 0.651 45.730 45.100 -0.035 0.000 2.029 431 G HN 0.392 nan 8.290 nan 0.000 0.608 432 S N -0.496 115.107 115.700 -0.161 0.000 2.556 432 S HA 0.438 4.907 4.470 -0.002 0.000 0.280 432 S C -0.557 173.748 174.600 -0.492 0.000 1.141 432 S CA -0.743 57.223 58.200 -0.390 0.000 0.883 432 S CB 1.843 64.738 63.200 -0.510 0.000 1.103 432 S HN 0.238 nan 8.310 nan 0.000 0.453 433 T N 2.621 116.839 114.554 -0.561 0.000 2.823 433 T HA 0.735 5.084 4.350 -0.002 0.000 0.279 433 T C -1.086 173.255 174.700 -0.598 0.000 0.998 433 T CA -0.243 61.612 62.100 -0.409 0.000 0.994 433 T CB 0.286 69.039 68.868 -0.191 0.000 0.960 433 T HN 0.412 nan 8.240 nan 0.000 0.448 434 F N 2.281 122.267 119.950 0.060 0.000 2.551 434 F HA 0.672 5.197 4.527 -0.002 0.000 0.316 434 F C 0.495 176.357 175.800 0.103 0.000 1.089 434 F CA -1.289 56.762 58.000 0.086 0.000 0.915 434 F CB 2.024 41.095 39.000 0.119 0.000 1.186 434 F HN 0.424 nan 8.300 nan 0.000 0.456 435 R N 0.816 121.489 120.500 0.289 0.000 2.808 435 R HA 0.569 4.908 4.340 -0.002 0.000 0.272 435 R C -1.489 174.924 176.300 0.189 0.000 0.995 435 R CA -1.209 55.003 56.100 0.186 0.000 0.917 435 R CB 1.110 31.471 30.300 0.102 0.000 1.217 435 R HN 0.383 nan 8.270 nan 0.000 0.471 436 N N 0.768 119.573 118.700 0.175 0.000 2.467 436 N HA 0.006 4.744 4.740 -0.002 0.000 0.262 436 N C 0.265 175.916 175.510 0.234 0.000 1.234 436 N CA -0.222 52.964 53.050 0.226 0.000 0.952 436 N CB 0.433 39.059 38.487 0.231 0.000 1.158 436 N HN 0.633 nan 8.380 nan 0.000 0.463 437 Y N 1.200 121.607 120.300 0.177 0.000 2.081 437 Y HA -0.304 4.245 4.550 -0.002 0.000 0.280 437 Y C 2.188 178.169 175.900 0.135 0.000 1.163 437 Y CA 2.099 60.292 58.100 0.155 0.000 1.135 437 Y CB 0.108 38.669 38.460 0.167 0.000 0.970 437 Y HN 0.652 nan 8.280 nan 0.000 0.498 438 D N -2.350 118.307 120.400 0.430 0.000 2.178 438 D HA -0.202 4.437 4.640 -0.002 0.000 0.201 438 D C 1.523 177.915 176.300 0.152 0.000 0.980 438 D CA 1.895 56.067 54.000 0.287 0.000 0.842 438 D CB -0.307 40.648 40.800 0.258 0.000 0.948 438 D HN 0.496 nan 8.370 nan 0.000 0.472 439 T N -1.185 113.442 114.554 0.122 0.000 11.540 439 T HA -0.183 4.165 4.350 -0.002 0.000 0.374 439 T C 0.122 174.818 174.700 -0.006 0.000 1.748 439 T CA 1.033 63.165 62.100 0.052 0.000 2.871 439 T CB -1.527 67.358 68.868 0.029 0.000 2.347 439 T HN 0.332 nan 8.240 nan 0.000 0.592 440 K N 1.875 122.240 120.400 -0.059 0.000 2.219 440 K HA 0.543 4.862 4.320 -0.002 0.000 0.258 440 K C 0.185 176.565 176.600 -0.366 0.000 1.008 440 K CA 0.159 56.346 56.287 -0.166 0.000 0.928 440 K CB 1.165 33.570 32.500 -0.159 0.000 0.983 440 K HN 0.285 nan 8.250 nan 0.000 0.484 441 S N 0.018 115.509 115.700 -0.348 0.000 2.632 441 S HA 0.165 4.634 4.470 -0.002 0.000 0.271 441 S C -0.006 174.230 174.600 -0.607 0.000 1.260 441 S CA -0.479 57.493 58.200 -0.380 0.000 1.010 441 S CB 0.371 63.469 63.200 -0.170 0.000 0.965 441 S HN 0.613 nan 8.310 nan 0.000 0.534 442 H N 1.282 120.204 119.070 -0.246 0.000 3.058 442 H HA 0.414 4.969 4.556 -0.002 0.000 0.266 442 H C 1.155 176.366 175.328 -0.196 0.000 1.135 442 H CA 0.316 56.199 56.048 -0.275 0.000 1.174 442 H CB 0.411 29.899 29.762 -0.457 0.000 1.581 442 H HN 0.929 nan 8.280 nan 0.000 0.553 443 G N 0.587 109.349 108.800 -0.062 0.000 2.509 443 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.259 443 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.259 443 G C -0.062 174.812 174.900 -0.043 0.000 1.169 443 G CA -0.158 44.909 45.100 -0.055 0.000 0.953 443 G HN 0.306 nan 8.290 nan 0.000 0.563 444 T N 1.570 116.097 114.554 -0.045 0.000 2.832 444 T HA 0.564 4.913 4.350 -0.002 0.000 0.296 444 T C 0.441 175.123 174.700 -0.030 0.000 0.968 444 T CA 0.429 62.502 62.100 -0.045 0.000 1.107 444 T CB 1.033 69.866 68.868 -0.059 0.000 0.916 444 T HN 1.801 nan 8.240 nan 0.000 0.517 445 V N 0.184 120.093 119.914 -0.009 0.000 3.114 445 V HA 0.825 4.944 4.120 -0.002 0.000 0.308 445 V C 0.033 176.146 176.094 0.032 0.000 1.168 445 V CA -1.434 60.882 62.300 0.026 0.000 1.015 445 V CB 1.807 33.684 31.823 0.089 0.000 1.050 445 V HN 0.885 nan 8.190 nan 0.000 0.433 446 S N 1.741 117.467 115.700 0.044 0.000 2.592 446 S HA 0.433 4.902 4.470 -0.002 0.000 0.271 446 S C 1.233 175.873 174.600 0.067 0.000 1.326 446 S CA -0.058 58.174 58.200 0.053 0.000 1.024 446 S CB 0.824 64.071 63.200 0.078 0.000 0.921 446 S HN 1.385 nan 8.310 nan 0.000 0.527 447 I N -1.436 119.182 120.570 0.079 0.000 2.614 447 I HA -0.056 4.113 4.170 -0.002 0.000 0.258 447 I C 2.052 178.077 176.117 -0.153 0.000 1.189 447 I CA 1.043 62.328 61.300 -0.025 0.000 1.462 447 I CB -0.569 37.508 38.000 0.128 0.000 1.092 447 I HN 0.771 nan 8.210 nan 0.000 0.442 448 Y N 2.543 122.768 120.300 -0.126 0.000 2.145 448 Y HA -0.252 4.297 4.550 -0.002 0.000 0.286 448 Y C 2.165 177.964 175.900 -0.168 0.000 1.145 448 Y CA 1.987 60.007 58.100 -0.133 0.000 1.148 448 Y CB -0.146 38.275 38.460 -0.065 0.000 0.981 448 Y HN 0.152 nan 8.280 nan 0.000 0.507 449 D N 0.094 120.452 120.400 -0.071 0.000 2.149 449 D HA -0.102 4.536 4.640 -0.002 0.000 0.201 449 D C 2.277 178.351 176.300 -0.376 0.000 0.972 449 D CA 1.230 55.110 54.000 -0.200 0.000 0.835 449 D CB -0.462 40.341 40.800 0.006 0.000 0.966 449 D HN 0.489 nan 8.370 nan 0.000 0.476 450 A N 0.736 123.415 122.820 -0.234 0.000 1.940 450 A HA -0.166 4.152 4.320 -0.002 0.000 0.219 450 A C 2.129 179.443 177.584 -0.450 0.000 1.176 450 A CA 1.066 52.962 52.037 -0.235 0.000 0.631 450 A CB -0.495 18.515 19.000 0.017 0.000 0.814 450 A HN 0.220 nan 8.150 nan 0.000 0.446 451 L N 0.177 121.073 121.223 -0.546 0.000 2.127 451 L HA 0.011 4.350 4.340 -0.002 0.000 0.203 451 L C 2.533 179.155 176.870 -0.413 0.000 1.080 451 L CA 1.957 56.496 54.840 -0.501 0.000 0.768 451 L CB -0.464 41.257 42.059 -0.563 0.000 0.924 451 L HN 0.566 nan 8.230 nan 0.000 0.444 452 R N -1.047 119.157 120.500 -0.494 0.000 2.276 452 R HA -0.029 4.310 4.340 -0.002 0.000 0.203 452 R C 1.056 177.103 176.300 -0.422 0.000 1.017 452 R CA 1.021 56.854 56.100 -0.446 0.000 1.010 452 R CB -0.314 29.674 30.300 -0.519 0.000 0.900 452 R HN 0.484 nan 8.270 nan 0.000 0.469 453 Q N 0.232 119.686 119.800 -0.576 0.000 2.189 453 Q HA 0.175 4.514 4.340 -0.002 0.000 0.223 453 Q C -0.079 175.564 176.000 -0.594 0.000 0.828 453 Q CA 0.027 55.446 55.803 -0.639 0.000 0.967 453 Q CB 1.313 29.467 28.738 -0.972 0.000 1.139 453 Q HN 0.283 nan 8.270 nan 0.000 0.497 454 S N 0.450 115.886 115.700 -0.440 0.000 3.476 454 S HA -0.151 4.318 4.470 -0.002 0.000 0.309 454 S C 0.019 174.623 174.600 0.006 0.000 1.222 454 S CA -0.108 57.992 58.200 -0.166 0.000 0.922 454 S CB -1.123 62.024 63.200 -0.089 0.000 1.023 454 S HN 0.428 nan 8.310 nan 0.000 0.591 455 F N 1.999 121.952 119.950 0.004 0.000 2.635 455 F HA 0.111 4.636 4.527 -0.002 0.000 0.379 455 F C 1.621 177.481 175.800 0.100 0.000 1.094 455 F CA 0.252 58.277 58.000 0.041 0.000 1.300 455 F CB 0.009 38.998 39.000 -0.018 0.000 1.035 455 F HN 0.162 nan 8.300 nan 0.000 0.581 456 N N 2.208 121.101 118.700 0.320 0.000 2.132 456 N HA -0.027 4.711 4.740 -0.002 0.000 0.187 456 N C 2.079 177.699 175.510 0.183 0.000 1.038 456 N CA 0.941 54.116 53.050 0.209 0.000 0.846 456 N CB -0.190 38.413 38.487 0.193 0.000 1.012 456 N HN 0.566 nan 8.380 nan 0.000 0.429 457 I N 1.053 121.737 120.570 0.191 0.000 2.208 457 I HA -0.174 3.994 4.170 -0.002 0.000 0.245 457 I C -0.842 175.332 176.117 0.096 0.000 1.097 457 I CA 1.283 62.670 61.300 0.146 0.000 1.363 457 I CB -1.377 36.690 38.000 0.112 0.000 1.051 457 I HN 0.111 nan 8.210 nan 0.000 0.413 458 P HA -0.184 nan 4.420 nan 0.000 0.215 458 P C 1.594 178.992 177.300 0.162 0.000 1.157 458 P CA 1.935 65.148 63.100 0.189 0.000 0.868 458 P CB -0.050 31.838 31.700 0.313 0.000 0.788 459 A N -0.804 122.110 122.820 0.158 0.000 1.948 459 A HA -0.203 4.115 4.320 -0.002 0.000 0.220 459 A C 2.204 179.760 177.584 -0.047 0.000 1.177 459 A CA 1.675 53.654 52.037 -0.096 0.000 0.636 459 A CB -1.687 17.310 19.000 -0.004 0.000 0.815 459 A HN 0.138 nan 8.150 nan 0.000 0.449 460 L N -1.087 120.183 121.223 0.078 0.000 2.068 460 L HA -0.125 4.214 4.340 -0.002 0.000 0.204 460 L C 2.597 179.637 176.870 0.284 0.000 1.076 460 L CA 1.144 56.126 54.840 0.237 0.000 0.753 460 L CB -0.452 41.775 42.059 0.280 0.000 0.910 460 L HN 0.219 nan 8.230 nan 0.000 0.439 461 K N 0.536 121.005 120.400 0.115 0.000 2.009 461 K HA -0.186 4.133 4.320 -0.002 0.000 0.210 461 K C 2.214 178.889 176.600 0.126 0.000 1.049 461 K CA 1.678 57.991 56.287 0.043 0.000 0.929 461 K CB -0.525 31.938 32.500 -0.061 0.000 0.714 461 K HN 0.286 nan 8.250 nan 0.000 0.440 462 A N 0.851 123.753 122.820 0.137 0.000 1.883 462 A HA -0.214 4.105 4.320 -0.002 0.000 0.217 462 A C 2.056 179.661 177.584 0.034 0.000 1.186 462 A CA 1.756 53.884 52.037 0.151 0.000 0.624 462 A CB -1.050 17.919 19.000 -0.051 0.000 0.822 462 A HN 0.585 nan 8.150 nan 0.000 0.444 463 W N 0.649 121.851 121.300 -0.163 0.000 2.333 463 W HA -0.254 4.405 4.660 -0.002 0.000 0.316 463 W C 2.281 178.750 176.519 -0.083 0.000 1.215 463 W CA 2.184 59.434 57.345 -0.158 0.000 1.278 463 W CB -0.732 28.642 29.460 -0.143 0.000 1.154 463 W HN 0.476 nan 8.180 nan 0.000 0.486 464 Q N -0.221 119.427 119.800 -0.253 0.000 2.061 464 Q HA -0.264 4.074 4.340 -0.002 0.000 0.204 464 Q C 2.569 178.434 176.000 -0.224 0.000 0.984 464 Q CA 2.621 58.190 55.803 -0.390 0.000 0.846 464 Q CB -0.883 27.781 28.738 -0.123 0.000 0.902 464 Q HN 0.328 nan 8.270 nan 0.000 0.421 465 S N -0.312 115.352 115.700 -0.059 0.000 2.400 465 S HA -0.149 4.320 4.470 -0.002 0.000 0.232 465 S C 1.912 176.455 174.600 -0.095 0.000 1.025 465 S CA 1.317 59.530 58.200 0.022 0.000 0.993 465 S CB -0.175 63.182 63.200 0.261 0.000 0.808 465 S HN 0.223 nan 8.310 nan 0.000 0.478 466 V N 1.492 121.282 119.914 -0.207 0.000 2.323 466 V HA -0.065 4.053 4.120 -0.002 0.000 0.244 466 V C 2.634 178.598 176.094 -0.216 0.000 1.041 466 V CA 1.849 63.996 62.300 -0.254 0.000 1.025 466 V CB -0.656 31.008 31.823 -0.266 0.000 0.656 466 V HN 0.450 nan 8.190 nan 0.000 0.451 467 K N -0.339 119.881 120.400 -0.301 0.000 2.074 467 K HA -0.308 4.011 4.320 -0.002 0.000 0.209 467 K C 2.316 178.799 176.600 -0.196 0.000 1.048 467 K CA 2.168 58.273 56.287 -0.304 0.000 0.926 467 K CB -0.135 32.041 32.500 -0.541 0.000 0.713 467 K HN 0.498 nan 8.250 nan 0.000 0.444 468 Q N 0.220 119.918 119.800 -0.170 0.000 2.049 468 Q HA -0.116 4.223 4.340 -0.002 0.000 0.198 468 Q C 1.131 177.092 176.000 -0.065 0.000 0.971 468 Q CA 1.749 57.492 55.803 -0.100 0.000 0.833 468 Q CB 0.190 28.888 28.738 -0.068 0.000 0.896 468 Q HN 0.325 nan 8.270 nan 0.000 0.434 469 N N -1.173 117.489 118.700 -0.063 0.000 2.388 469 N HA 0.129 4.868 4.740 -0.002 0.000 0.176 469 N C 0.922 176.400 175.510 -0.054 0.000 1.062 469 N CA 0.659 53.686 53.050 -0.039 0.000 0.895 469 N CB 0.461 38.941 38.487 -0.010 0.000 1.018 469 N HN 0.202 nan 8.380 nan 0.000 0.456 470 A N -0.065 122.705 122.820 -0.084 0.000 2.035 470 A HA 0.626 4.945 4.320 -0.002 0.000 0.208 470 A C 0.847 178.397 177.584 -0.056 0.000 1.206 470 A CA 0.782 52.774 52.037 -0.075 0.000 0.773 470 A CB 0.246 19.182 19.000 -0.107 0.000 0.878 470 A HN 0.250 nan 8.150 nan 0.000 0.469 471 G N -1.280 107.480 108.800 -0.068 0.000 2.307 471 G HA2 0.085 4.043 3.960 -0.002 0.000 0.348 471 G HA3 0.085 4.043 3.960 -0.002 0.000 0.348 471 G C -0.224 174.634 174.900 -0.070 0.000 1.603 471 G CA -0.082 44.986 45.100 -0.054 0.000 0.961 471 G HN -0.047 nan 8.290 nan 0.000 0.686 472 N N -0.414 118.248 118.700 -0.063 0.000 2.453 472 N HA -0.050 4.689 4.740 -0.002 0.000 0.183 472 N C 0.636 176.125 175.510 -0.035 0.000 1.041 472 N CA 1.084 54.089 53.050 -0.074 0.000 0.900 472 N CB 0.287 38.739 38.487 -0.058 0.000 0.961 472 N HN 0.542 nan 8.380 nan 0.000 0.443 473 D N -0.553 119.839 120.400 -0.013 0.000 2.440 473 D HA 0.193 4.832 4.640 -0.002 0.000 0.216 473 D C 1.329 177.645 176.300 0.027 0.000 1.150 473 D CA -0.095 53.915 54.000 0.017 0.000 0.832 473 D CB 0.549 41.358 40.800 0.016 0.000 0.992 473 D HN 0.098 nan 8.370 nan 0.000 0.502 474 A N 2.028 124.852 122.820 0.007 0.000 1.908 474 A HA -0.119 4.200 4.320 -0.002 0.000 0.218 474 A C -0.304 177.320 177.584 0.067 0.000 1.181 474 A CA 1.314 53.361 52.037 0.017 0.000 0.627 474 A CB -1.245 17.734 19.000 -0.035 0.000 0.818 474 A HN 0.163 nan 8.150 nan 0.000 0.445 475 P HA -0.171 nan 4.420 nan 0.000 0.213 475 P C 1.557 178.945 177.300 0.147 0.000 1.170 475 P CA 1.625 64.805 63.100 0.135 0.000 0.898 475 P CB -0.119 31.724 31.700 0.238 0.000 0.787 476 K N 0.198 120.664 120.400 0.109 0.000 2.089 476 K HA -0.241 4.077 4.320 -0.002 0.000 0.210 476 K C 1.984 178.648 176.600 0.107 0.000 1.048 476 K CA 1.971 58.324 56.287 0.110 0.000 0.926 476 K CB -0.247 32.303 32.500 0.084 0.000 0.714 476 K HN -0.073 nan 8.250 nan 0.000 0.448 477 K N -0.834 119.619 120.400 0.087 0.000 2.155 477 K HA -0.092 4.227 4.320 -0.002 0.000 0.203 477 K C 1.775 178.407 176.600 0.052 0.000 1.052 477 K CA 1.157 57.473 56.287 0.049 0.000 0.948 477 K CB -0.107 32.414 32.500 0.036 0.000 0.728 477 K HN 0.142 nan 8.250 nan 0.000 0.448 478 F N 0.573 120.506 119.950 -0.028 0.000 2.234 478 F HA -0.014 4.512 4.527 -0.002 0.000 0.296 478 F C 1.952 177.712 175.800 -0.066 0.000 1.089 478 F CA 0.925 58.900 58.000 -0.042 0.000 1.343 478 F CB -0.035 38.953 39.000 -0.021 0.000 1.040 478 F HN -0.036 nan 8.300 nan 0.000 0.498 479 A N 0.351 123.259 122.820 0.147 0.000 1.872 479 A HA -0.003 4.315 4.320 -0.002 0.000 0.214 479 A C 2.401 179.906 177.584 -0.131 0.000 1.187 479 A CA 1.443 53.496 52.037 0.027 0.000 0.614 479 A CB -1.542 17.578 19.000 0.200 0.000 0.826 479 A HN 0.419 nan 8.150 nan 0.000 0.442 480 A N 0.149 122.936 122.820 -0.055 0.000 1.927 480 A HA -0.268 4.050 4.320 -0.002 0.000 0.220 480 A C 2.058 179.506 177.584 -0.226 0.000 1.185 480 A CA 2.168 54.142 52.037 -0.105 0.000 0.639 480 A CB -0.559 18.410 19.000 -0.051 0.000 0.820 480 A HN 0.560 nan 8.150 nan 0.000 0.451 481 K N -0.868 119.374 120.400 -0.264 0.000 2.362 481 K HA 0.077 4.396 4.320 -0.002 0.000 0.200 481 K C 0.617 176.972 176.600 -0.408 0.000 1.046 481 K CA 0.708 56.827 56.287 -0.280 0.000 0.952 481 K CB -0.170 32.149 32.500 -0.302 0.000 0.753 481 K HN 0.486 nan 8.250 nan 0.000 0.466 482 L N -0.144 120.759 121.223 -0.533 0.000 2.928 482 L HA 0.226 4.565 4.340 -0.002 0.000 0.246 482 L C 0.790 177.308 176.870 -0.587 0.000 1.239 482 L CA -0.171 54.302 54.840 -0.613 0.000 1.035 482 L CB 0.448 42.126 42.059 -0.636 0.000 1.360 482 L HN 0.322 nan 8.230 nan 0.000 0.529 483 G N 0.508 108.935 108.800 -0.620 0.000 2.184 483 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.264 483 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.264 483 G C 0.216 174.962 174.900 -0.256 0.000 0.975 483 G CA -0.096 44.799 45.100 -0.341 0.000 0.642 483 G HN 0.285 nan 8.290 nan 0.000 0.536 484 L N 1.539 122.543 121.223 -0.365 0.000 2.270 484 L HA 0.431 4.770 4.340 -0.002 0.000 0.286 484 L C -0.222 176.531 176.870 -0.195 0.000 1.059 484 L CA -0.724 53.816 54.840 -0.500 0.000 0.839 484 L CB 0.683 42.319 42.059 -0.706 0.000 1.221 484 L HN 0.058 nan 8.230 nan 0.000 0.431 485 N N 2.583 121.241 118.700 -0.070 0.000 2.314 485 N HA 0.483 5.222 4.740 -0.002 0.000 0.304 485 N C -1.338 174.084 175.510 -0.147 0.000 1.073 485 N CA -0.473 52.565 53.050 -0.021 0.000 0.822 485 N CB 2.358 40.849 38.487 0.006 0.000 1.280 485 N HN 0.232 nan 8.380 nan 0.000 0.489 486 Y N 0.104 120.468 120.300 0.107 0.000 2.361 486 Y HA 0.124 4.673 4.550 -0.002 0.000 0.337 486 Y C 1.335 177.261 175.900 0.045 0.000 0.965 486 Y CA -0.760 57.387 58.100 0.079 0.000 1.091 486 Y CB 1.902 40.413 38.460 0.085 0.000 1.182 486 Y HN 0.574 nan 8.280 nan 0.000 0.450 487 E N 2.047 122.339 120.200 0.153 0.000 2.106 487 E HA 0.038 4.387 4.350 -0.002 0.000 0.192 487 E C 0.945 177.606 176.600 0.102 0.000 0.984 487 E CA 1.270 57.727 56.400 0.095 0.000 0.806 487 E CB 0.051 29.782 29.700 0.052 0.000 0.750 487 E HN 0.781 nan 8.360 nan 0.000 0.458 488 G N -0.607 108.269 108.800 0.126 0.000 2.642 488 G HA2 0.259 4.218 3.960 -0.002 0.000 0.291 488 G HA3 0.259 4.218 3.960 -0.002 0.000 0.291 488 G C -0.842 174.109 174.900 0.085 0.000 1.345 488 G CA -0.528 44.628 45.100 0.093 0.000 1.043 488 G HN 0.052 nan 8.290 nan 0.000 0.528 489 D N -0.450 119.984 120.400 0.057 0.000 2.362 489 D HA 0.181 4.820 4.640 -0.002 0.000 0.242 489 D C 0.233 176.529 176.300 -0.006 0.000 1.132 489 D CA 0.312 54.336 54.000 0.041 0.000 0.907 489 D CB 1.315 42.150 40.800 0.057 0.000 1.195 489 D HN 0.077 nan 8.370 nan 0.000 0.429 490 I N 2.196 122.740 120.570 -0.044 0.000 2.282 490 I HA 0.255 4.424 4.170 -0.002 0.000 0.290 490 I C 1.195 177.304 176.117 -0.013 0.000 1.090 490 I CA -0.397 60.796 61.300 -0.179 0.000 1.231 490 I CB 0.819 38.602 38.000 -0.361 0.000 1.434 490 I HN 0.173 nan 8.210 nan 0.000 0.487 491 G N 6.932 115.703 108.800 -0.048 0.000 2.543 491 G HA2 0.322 4.281 3.960 -0.002 0.000 0.290 491 G HA3 0.322 4.281 3.960 -0.002 0.000 0.290 491 G C -1.588 173.099 174.900 -0.355 0.000 1.310 491 G CA -0.868 44.240 45.100 0.013 0.000 1.025 491 G HN 0.361 nan 8.290 nan 0.000 0.502 492 P HA -0.081 nan 4.420 nan 0.000 0.220 492 P C 1.995 178.986 177.300 -0.515 0.000 1.152 492 P CA 1.319 64.076 63.100 -0.571 0.000 0.812 492 P CB 0.198 31.694 31.700 -0.340 0.000 0.792 493 S N 0.940 116.497 115.700 -0.239 0.000 2.372 493 S HA -0.193 4.275 4.470 -0.002 0.000 0.227 493 S C 1.894 176.409 174.600 -0.142 0.000 1.044 493 S CA 1.762 59.898 58.200 -0.106 0.000 1.050 493 S CB -0.721 62.511 63.200 0.053 0.000 0.901 493 S HN 0.237 nan 8.310 nan 0.000 0.447 494 E N 0.572 120.665 120.200 -0.178 0.000 2.208 494 E HA -0.032 4.316 4.350 -0.002 0.000 0.193 494 E C 2.189 178.657 176.600 -0.219 0.000 0.988 494 E CA 0.894 57.212 56.400 -0.137 0.000 0.828 494 E CB -0.713 28.912 29.700 -0.125 0.000 0.763 494 E HN 0.525 nan 8.360 nan 0.000 0.478 495 V N 1.567 121.214 119.914 -0.445 0.000 2.490 495 V HA -0.165 3.953 4.120 -0.002 0.000 0.250 495 V C 2.076 178.012 176.094 -0.264 0.000 1.061 495 V CA 1.224 63.239 62.300 -0.474 0.000 1.064 495 V CB -0.452 30.893 31.823 -0.797 0.000 0.670 495 V HN 0.218 nan 8.190 nan 0.000 0.461 496 L N 0.347 121.434 121.223 -0.226 0.000 2.848 496 L HA 0.451 4.790 4.340 -0.002 0.000 0.240 496 L C 1.515 178.374 176.870 -0.019 0.000 1.232 496 L CA 0.571 55.345 54.840 -0.111 0.000 1.031 496 L CB -0.227 41.753 42.059 -0.132 0.000 1.338 496 L HN 0.448 nan 8.230 nan 0.000 0.509 497 G N -0.163 108.636 108.800 -0.002 0.000 2.159 497 G HA2 -0.240 3.718 3.960 -0.002 0.000 0.256 497 G HA3 -0.240 3.718 3.960 -0.002 0.000 0.256 497 G C 0.554 175.509 174.900 0.092 0.000 0.977 497 G CA -0.049 45.091 45.100 0.068 0.000 0.652 497 G HN 0.557 nan 8.290 nan 0.000 0.531 498 G N -1.012 107.823 108.800 0.059 0.000 2.528 498 G HA2 0.696 4.655 3.960 -0.002 0.000 0.289 498 G HA3 0.696 4.655 3.960 -0.002 0.000 0.289 498 G C 0.969 175.916 174.900 0.078 0.000 1.192 498 G CA 0.927 46.075 45.100 0.080 0.000 0.921 498 G HN 1.426 nan 8.290 nan 0.000 0.512 499 S N -0.667 115.084 115.700 0.084 0.000 4.054 499 S HA -0.318 4.150 4.470 -0.002 0.000 0.618 499 S C 2.003 176.639 174.600 0.059 0.000 2.026 499 S CA 1.504 59.747 58.200 0.072 0.000 4.205 499 S CB -1.513 61.728 63.200 0.069 0.000 0.233 499 S HN 2.034 nan 8.310 nan 0.000 0.612 500 A N 0.390 123.256 122.820 0.077 0.000 2.258 500 A HA 0.374 4.693 4.320 -0.002 0.000 0.206 500 A C 1.270 178.870 177.584 0.026 0.000 1.222 500 A CA 1.086 53.157 52.037 0.058 0.000 0.822 500 A CB -0.416 18.668 19.000 0.140 0.000 0.804 500 A HN 0.540 nan 8.150 nan 0.000 0.483 501 S N 1.008 116.765 115.700 0.095 0.000 3.149 501 S HA 0.139 4.608 4.470 -0.002 0.000 0.228 501 S C -0.183 174.372 174.600 -0.074 0.000 1.393 501 S CA -0.222 58.062 58.200 0.141 0.000 1.224 501 S CB -0.412 62.958 63.200 0.283 0.000 1.112 501 S HN 0.612 nan 8.310 nan 0.000 0.502 502 E N 1.055 121.010 120.200 -0.409 0.000 2.109 502 E HA 0.425 4.774 4.350 -0.002 0.000 0.278 502 E C -1.015 175.178 176.600 -0.678 0.000 0.954 502 E CA -0.177 56.036 56.400 -0.312 0.000 0.779 502 E CB 0.928 30.503 29.700 -0.209 0.000 1.093 502 E HN 0.305 nan 8.360 nan 0.000 0.401 503 F N 0.167 120.160 119.950 0.073 0.000 2.640 503 F HA 0.297 4.823 4.527 -0.002 0.000 0.324 503 F C 0.632 176.567 175.800 0.225 0.000 1.077 503 F CA -1.102 56.940 58.000 0.070 0.000 0.965 503 F CB 1.442 40.452 39.000 0.017 0.000 1.351 503 F HN 0.262 nan 8.300 nan 0.000 0.487 504 S N 0.623 116.560 115.700 0.395 0.000 2.601 504 S HA 0.366 4.835 4.470 -0.002 0.000 0.271 504 S C -2.254 172.633 174.600 0.478 0.000 1.305 504 S CA -1.080 57.334 58.200 0.356 0.000 1.022 504 S CB 1.619 64.946 63.200 0.211 0.000 0.940 504 S HN 0.313 nan 8.310 nan 0.000 0.525 505 P HA -0.104 nan 4.420 nan 0.000 0.215 505 P C 1.521 179.016 177.300 0.325 0.000 1.157 505 P CA 1.725 65.107 63.100 0.469 0.000 0.874 505 P CB -0.413 31.442 31.700 0.259 0.000 0.790 506 T N -0.612 114.087 114.554 0.241 0.000 2.699 506 T HA -0.250 4.099 4.350 -0.002 0.000 0.268 506 T C 1.882 176.699 174.700 0.195 0.000 1.036 506 T CA 1.528 63.748 62.100 0.199 0.000 1.147 506 T CB -0.762 68.240 68.868 0.223 0.000 0.862 506 T HN 0.303 nan 8.240 nan 0.000 0.446 507 Q N -0.043 119.885 119.800 0.213 0.000 2.084 507 Q HA 0.020 4.359 4.340 -0.002 0.000 0.202 507 Q C 2.334 178.402 176.000 0.112 0.000 0.978 507 Q CA 1.087 56.985 55.803 0.158 0.000 0.844 507 Q CB -0.213 28.634 28.738 0.181 0.000 0.898 507 Q HN 0.489 nan 8.270 nan 0.000 0.426 508 L N -0.561 120.780 121.223 0.196 0.000 2.179 508 L HA -0.022 4.317 4.340 -0.002 0.000 0.208 508 L C 2.423 179.509 176.870 0.359 0.000 1.096 508 L CA 0.526 55.521 54.840 0.258 0.000 0.779 508 L CB -0.588 41.672 42.059 0.336 0.000 0.922 508 L HN 0.200 nan 8.230 nan 0.000 0.443 509 A N 0.075 123.066 122.820 0.284 0.000 1.892 509 A HA -0.228 4.090 4.320 -0.002 0.000 0.218 509 A C 2.550 180.246 177.584 0.186 0.000 1.188 509 A CA 2.317 54.502 52.037 0.247 0.000 0.631 509 A CB -0.628 18.476 19.000 0.174 0.000 0.822 509 A HN 0.362 nan 8.150 nan 0.000 0.447 510 S N -0.391 115.375 115.700 0.111 0.000 2.356 510 S HA -0.045 4.423 4.470 -0.002 0.000 0.223 510 S C 2.368 176.977 174.600 0.015 0.000 1.032 510 S CA 1.276 59.487 58.200 0.019 0.000 1.005 510 S CB -0.578 62.618 63.200 -0.007 0.000 0.867 510 S HN 0.835 nan 8.310 nan 0.000 0.449 511 A N 0.917 123.717 122.820 -0.034 0.000 1.873 511 A HA -0.116 4.203 4.320 -0.002 0.000 0.218 511 A C 1.894 179.317 177.584 -0.268 0.000 1.193 511 A CA 1.676 53.499 52.037 -0.355 0.000 0.629 511 A CB -1.062 17.508 19.000 -0.716 0.000 0.826 511 A HN 0.493 nan 8.150 nan 0.000 0.447 512 F N -0.092 119.864 119.950 0.011 0.000 2.293 512 F HA -0.002 4.524 4.527 -0.002 0.000 0.300 512 F C 2.657 178.342 175.800 -0.191 0.000 1.086 512 F CA 0.830 58.825 58.000 -0.008 0.000 1.375 512 F CB -0.115 38.929 39.000 0.073 0.000 1.045 512 F HN 0.267 nan 8.300 nan 0.000 0.516 513 A N -0.112 122.766 122.820 0.097 0.000 2.015 513 A HA -0.002 4.317 4.320 -0.002 0.000 0.219 513 A C 2.393 179.987 177.584 0.016 0.000 1.163 513 A CA 1.268 53.350 52.037 0.075 0.000 0.646 513 A CB -1.060 17.992 19.000 0.085 0.000 0.806 513 A HN 0.290 nan 8.150 nan 0.000 0.448 514 A N 0.589 123.391 122.820 -0.031 0.000 1.892 514 A HA -0.182 4.137 4.320 -0.002 0.000 0.218 514 A C 2.091 179.656 177.584 -0.031 0.000 1.188 514 A CA 1.716 53.731 52.037 -0.036 0.000 0.631 514 A CB -0.681 18.269 19.000 -0.082 0.000 0.822 514 A HN 0.520 nan 8.150 nan 0.000 0.447 515 I N -0.304 120.206 120.570 -0.100 0.000 2.163 515 I HA -0.303 3.865 4.170 -0.002 0.000 0.243 515 I C 2.925 179.012 176.117 -0.051 0.000 1.085 515 I CA 1.241 62.459 61.300 -0.137 0.000 1.347 515 I CB -0.451 37.334 38.000 -0.358 0.000 1.044 515 I HN 0.364 nan 8.210 nan 0.000 0.408 516 A N 1.518 124.330 122.820 -0.013 0.000 2.019 516 A HA -0.174 4.144 4.320 -0.002 0.000 0.219 516 A C 1.295 179.105 177.584 0.377 0.000 1.164 516 A CA 1.951 54.228 52.037 0.400 0.000 0.644 516 A CB -0.762 18.529 19.000 0.484 0.000 0.805 516 A HN 0.687 nan 8.150 nan 0.000 0.449 517 N N -2.421 116.400 118.700 0.202 0.000 2.480 517 N HA 0.385 5.124 4.740 -0.002 0.000 0.281 517 N C 0.610 176.197 175.510 0.129 0.000 1.381 517 N CA 0.335 53.482 53.050 0.162 0.000 0.903 517 N CB -0.085 38.467 38.487 0.109 0.000 1.274 517 N HN 0.514 nan 8.380 nan 0.000 0.505 518 G N -0.886 108.005 108.800 0.152 0.000 2.155 518 G HA2 -0.063 3.896 3.960 -0.002 0.000 0.257 518 G HA3 -0.063 3.896 3.960 -0.002 0.000 0.257 518 G C 0.763 175.705 174.900 0.069 0.000 0.983 518 G CA 0.188 45.361 45.100 0.121 0.000 0.676 518 G HN 1.559 nan 8.290 nan 0.000 0.528 519 G N -1.979 106.849 108.800 0.047 0.000 2.167 519 G HA2 0.234 4.193 3.960 -0.002 0.000 0.194 519 G HA3 0.234 4.193 3.960 -0.002 0.000 0.194 519 G C 0.224 175.123 174.900 -0.001 0.000 1.027 519 G CA 1.135 46.239 45.100 0.006 0.000 0.717 519 G HN 2.179 nan 8.290 nan 0.000 0.501 520 T N -0.297 114.266 114.554 0.015 0.000 2.792 520 T HA 0.606 4.954 4.350 -0.002 0.000 0.280 520 T C -0.340 174.362 174.700 0.003 0.000 0.990 520 T CA -0.645 61.466 62.100 0.020 0.000 0.960 520 T CB 1.163 70.048 68.868 0.028 0.000 0.939 520 T HN 0.994 nan 8.240 nan 0.000 0.439 521 Y N 5.301 125.491 120.300 -0.183 0.000 2.334 521 Y HA 0.655 5.204 4.550 -0.002 0.000 0.328 521 Y C -0.450 175.316 175.900 -0.223 0.000 1.130 521 Y CA -0.799 57.149 58.100 -0.253 0.000 1.163 521 Y CB 1.016 39.231 38.460 -0.409 0.000 1.207 521 Y HN 0.630 nan 8.280 nan 0.000 0.471 522 N N 4.859 122.951 118.700 -1.013 0.000 2.371 522 N HA 0.080 4.818 4.740 -0.002 0.000 0.291 522 N C -1.861 173.118 175.510 -0.885 0.000 1.053 522 N CA -0.804 51.817 53.050 -0.715 0.000 0.870 522 N CB 1.509 39.916 38.487 -0.134 0.000 1.503 522 N HN 0.672 nan 8.380 nan 0.000 0.485 523 N N 1.246 119.582 118.700 -0.606 0.000 2.483 523 N HA 0.118 4.856 4.740 -0.002 0.000 0.264 523 N C -0.215 175.310 175.510 0.026 0.000 1.197 523 N CA -0.043 52.901 53.050 -0.175 0.000 0.927 523 N CB 0.715 39.271 38.487 0.114 0.000 1.065 523 N HN 0.610 nan 8.380 nan 0.000 0.461 524 A N 3.640 126.498 122.820 0.064 0.000 2.584 524 A HA 0.119 4.437 4.320 -0.002 0.000 0.239 524 A C -0.322 177.388 177.584 0.211 0.000 1.043 524 A CA 0.401 52.490 52.037 0.087 0.000 0.756 524 A CB -0.657 18.404 19.000 0.101 0.000 0.963 524 A HN 0.947 nan 8.150 nan 0.000 0.511 525 H N -0.691 118.348 119.070 -0.051 0.000 2.771 525 H HA 0.634 5.189 4.556 -0.002 0.000 0.361 525 H C 0.311 175.611 175.328 -0.047 0.000 1.108 525 H CA -0.250 55.808 56.048 0.016 0.000 1.201 525 H CB 1.620 31.349 29.762 -0.055 0.000 1.681 525 H HN 0.418 nan 8.280 nan 0.000 0.534 526 S N 3.168 118.883 115.700 0.025 0.000 2.514 526 S HA 0.230 4.699 4.470 -0.002 0.000 0.223 526 S C 0.405 175.038 174.600 0.055 0.000 1.046 526 S CA -0.233 57.928 58.200 -0.065 0.000 0.914 526 S CB 0.161 63.263 63.200 -0.164 0.000 0.807 526 S HN 0.574 nan 8.310 nan 0.000 0.497 527 I N 2.357 122.965 120.570 0.065 0.000 2.321 527 I HA 0.332 4.501 4.170 -0.002 0.000 0.291 527 I C 1.099 177.248 176.117 0.053 0.000 0.998 527 I CA -0.534 60.746 61.300 -0.034 0.000 1.227 527 I CB 1.756 39.525 38.000 -0.385 0.000 1.368 527 I HN 0.181 nan 8.210 nan 0.000 0.466 528 Q N 5.061 124.918 119.800 0.095 0.000 2.016 528 Q HA -0.092 4.247 4.340 -0.002 0.000 0.200 528 Q C 0.060 176.145 176.000 0.142 0.000 0.978 528 Q CA 1.591 57.475 55.803 0.136 0.000 0.833 528 Q CB 0.276 29.082 28.738 0.114 0.000 0.895 528 Q HN 0.692 nan 8.270 nan 0.000 0.427 529 K N -2.855 117.608 120.400 0.105 0.000 2.711 529 K HA 0.538 4.856 4.320 -0.002 0.000 0.294 529 K C -1.719 174.986 176.600 0.175 0.000 1.037 529 K CA -0.846 55.537 56.287 0.160 0.000 0.858 529 K CB 1.296 33.836 32.500 0.066 0.000 1.521 529 K HN -0.140 nan 8.250 nan 0.000 0.386 530 V N 0.982 121.045 119.914 0.248 0.000 2.733 530 V HA 0.466 4.584 4.120 -0.002 0.000 0.306 530 V C -1.167 175.081 176.094 0.256 0.000 1.084 530 V CA -0.864 61.612 62.300 0.295 0.000 0.905 530 V CB 1.953 33.995 31.823 0.365 0.000 1.010 530 V HN 0.592 nan 8.190 nan 0.000 0.424 531 V N 3.242 123.310 119.914 0.257 0.000 2.448 531 V HA 0.611 4.730 4.120 -0.002 0.000 0.295 531 V C 0.434 176.644 176.094 0.194 0.000 1.025 531 V CA -0.383 62.026 62.300 0.181 0.000 0.859 531 V CB 2.142 34.053 31.823 0.147 0.000 0.988 531 V HN 1.057 nan 8.190 nan 0.000 0.431 532 T N 1.744 116.392 114.554 0.157 0.000 2.934 532 T HA 0.403 4.752 4.350 -0.002 0.000 0.283 532 T C 0.950 175.722 174.700 0.120 0.000 1.005 532 T CA -0.536 61.656 62.100 0.154 0.000 1.041 532 T CB 1.705 70.654 68.868 0.136 0.000 1.042 532 T HN 0.532 nan 8.240 nan 0.000 0.505 533 R N 0.513 121.084 120.500 0.118 0.000 2.075 533 R HA -0.091 4.248 4.340 -0.002 0.000 0.232 533 R C 1.979 178.329 176.300 0.083 0.000 1.126 533 R CA 1.831 57.993 56.100 0.103 0.000 0.963 533 R CB -0.371 29.993 30.300 0.107 0.000 0.858 533 R HN 0.908 nan 8.270 nan 0.000 0.435 534 D N -1.875 118.571 120.400 0.076 0.000 2.311 534 D HA -0.125 4.514 4.640 -0.002 0.000 0.212 534 D C 1.129 177.457 176.300 0.047 0.000 0.972 534 D CA 1.431 55.466 54.000 0.058 0.000 0.887 534 D CB 0.158 40.988 40.800 0.051 0.000 0.915 534 D HN 0.502 nan 8.370 nan 0.000 0.497 535 G N -0.008 108.823 108.800 0.051 0.000 2.551 535 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.186 535 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.186 535 G C 0.101 175.021 174.900 0.033 0.000 1.002 535 G CA -0.415 44.709 45.100 0.039 0.000 0.723 535 G HN 0.199 nan 8.290 nan 0.000 0.481 536 E N 0.867 121.087 120.200 0.035 0.000 2.349 536 E HA 0.568 4.917 4.350 -0.002 0.000 0.262 536 E C -0.184 176.442 176.600 0.043 0.000 1.088 536 E CA 0.475 56.890 56.400 0.025 0.000 0.899 536 E CB 1.726 31.431 29.700 0.008 0.000 1.044 536 E HN 0.309 nan 8.360 nan 0.000 0.420 537 T N 0.914 115.489 114.554 0.034 0.000 3.011 537 T HA 0.576 4.925 4.350 -0.002 0.000 0.303 537 T C -1.009 173.724 174.700 0.055 0.000 0.997 537 T CA -0.660 61.469 62.100 0.048 0.000 1.007 537 T CB 0.056 68.930 68.868 0.010 0.000 1.017 537 T HN 0.301 nan 8.240 nan 0.000 0.443 538 I N 4.366 125.004 120.570 0.113 0.000 2.382 538 I HA 0.420 4.589 4.170 -0.002 0.000 0.286 538 I C 0.022 176.270 176.117 0.217 0.000 1.002 538 I CA -0.913 60.462 61.300 0.125 0.000 1.135 538 I CB 1.748 39.834 38.000 0.142 0.000 1.288 538 I HN 0.500 nan 8.210 nan 0.000 0.448 539 E N 5.452 125.738 120.200 0.143 0.000 2.259 539 E HA 0.250 4.599 4.350 -0.002 0.000 0.281 539 E C -1.269 175.463 176.600 0.221 0.000 1.027 539 E CA -0.444 56.072 56.400 0.195 0.000 0.838 539 E CB 1.293 31.055 29.700 0.103 0.000 1.066 539 E HN 0.298 nan 8.360 nan 0.000 0.401 540 Y N 2.515 122.875 120.300 0.099 0.000 2.326 540 Y HA 0.104 4.653 4.550 -0.002 0.000 0.337 540 Y C 0.620 176.582 175.900 0.103 0.000 1.023 540 Y CA -0.641 57.528 58.100 0.114 0.000 1.143 540 Y CB 0.833 39.386 38.460 0.156 0.000 1.183 540 Y HN 0.343 nan 8.280 nan 0.000 0.485 541 D N 1.726 122.215 120.400 0.149 0.000 2.384 541 D HA 0.252 4.891 4.640 -0.002 0.000 0.250 541 D C -0.547 175.825 176.300 0.119 0.000 1.029 541 D CA -0.556 53.507 54.000 0.106 0.000 0.990 541 D CB 1.398 42.193 40.800 -0.008 0.000 1.175 541 D HN 0.644 nan 8.370 nan 0.000 0.532 542 H N -2.825 116.188 119.070 -0.095 0.000 2.747 542 H HA 0.408 4.963 4.556 -0.002 0.000 0.371 542 H C -0.688 174.594 175.328 -0.076 0.000 1.161 542 H CA -0.814 55.170 56.048 -0.107 0.000 1.167 542 H CB 1.042 30.609 29.762 -0.325 0.000 1.732 542 H HN 0.346 nan 8.280 nan 0.000 0.544 543 T N 0.154 114.685 114.554 -0.038 0.000 3.185 543 T HA 0.227 4.575 4.350 -0.002 0.000 0.287 543 T C 0.349 175.022 174.700 -0.046 0.000 1.051 543 T CA -0.588 61.498 62.100 -0.024 0.000 1.051 543 T CB -0.650 68.287 68.868 0.114 0.000 1.034 543 T HN 0.565 nan 8.240 nan 0.000 0.685 544 S N 3.194 118.746 115.700 -0.247 0.000 2.585 544 S HA 0.570 5.039 4.470 -0.002 0.000 0.277 544 S C -0.444 174.146 174.600 -0.018 0.000 1.241 544 S CA -0.716 57.368 58.200 -0.193 0.000 1.041 544 S CB 0.307 63.342 63.200 -0.275 0.000 0.987 544 S HN 1.019 nan 8.310 nan 0.000 0.512 545 H N 1.090 120.215 119.070 0.092 0.000 2.969 545 H HA 0.344 4.899 4.556 -0.002 0.000 0.304 545 H C -1.678 173.679 175.328 0.048 0.000 1.400 545 H CA -1.048 55.030 56.048 0.049 0.000 1.182 545 H CB 0.726 30.502 29.762 0.023 0.000 1.865 545 H HN 0.576 nan 8.280 nan 0.000 0.512 546 K N 1.439 121.979 120.400 0.233 0.000 2.297 546 K HA 0.546 4.864 4.320 -0.002 0.000 0.286 546 K C -0.453 176.218 176.600 0.119 0.000 1.053 546 K CA 0.114 56.473 56.287 0.119 0.000 0.940 546 K CB 0.908 33.438 32.500 0.050 0.000 1.019 546 K HN 0.606 nan 8.250 nan 0.000 0.475 550 D N 1.493 121.846 120.400 -0.080 0.000 2.157 550 D HA -0.321 4.318 4.640 -0.002 0.000 0.191 550 D C 1.613 177.967 176.300 0.090 0.000 1.004 550 D CA 2.479 56.499 54.000 0.034 0.000 0.854 550 D CB -0.664 40.185 40.800 0.081 0.000 0.936 550 D HN 0.787 nan 8.370 nan 0.000 0.446 551 Y N -0.342 120.026 120.300 0.113 0.000 2.220 551 Y HA 0.021 4.570 4.550 -0.002 0.000 0.291 551 Y C 2.455 178.458 175.900 0.172 0.000 1.129 551 Y CA 1.110 59.293 58.100 0.139 0.000 1.161 551 Y CB -1.053 37.465 38.460 0.096 0.000 0.997 551 Y HN -0.138 nan 8.280 nan 0.000 0.522 552 T N 1.335 115.738 114.554 -0.251 0.000 2.635 552 T HA -0.271 4.077 4.350 -0.002 0.000 0.267 552 T C 2.274 177.021 174.700 0.078 0.000 1.040 552 T CA 2.062 64.142 62.100 -0.032 0.000 1.156 552 T CB -0.845 67.935 68.868 -0.146 0.000 0.863 552 T HN 0.600 nan 8.240 nan 0.000 0.430 553 A N 0.668 123.518 122.820 0.050 0.000 1.873 553 A HA -0.082 4.236 4.320 -0.002 0.000 0.218 553 A C 1.360 179.004 177.584 0.101 0.000 1.193 553 A CA 1.286 53.368 52.037 0.075 0.000 0.629 553 A CB -1.097 17.946 19.000 0.072 0.000 0.826 553 A HN 0.609 nan 8.150 nan 0.000 0.447 557 A N 0.575 123.320 122.820 -0.125 0.000 1.849 557 A HA -0.110 4.209 4.320 -0.002 0.000 0.217 557 A C 1.104 178.517 177.584 -0.285 0.000 1.202 557 A CA 1.407 53.275 52.037 -0.281 0.000 0.629 557 A CB -0.449 18.024 19.000 -0.878 0.000 0.834 557 A HN 0.390 nan 8.150 nan 0.000 0.447 561 K N 1.101 121.515 120.400 0.025 0.000 2.281 561 K HA -0.067 4.251 4.320 -0.002 0.000 0.203 561 K C 1.947 178.628 176.600 0.135 0.000 1.046 561 K CA 1.466 57.829 56.287 0.125 0.000 0.938 561 K CB -0.217 32.365 32.500 0.137 0.000 0.737 561 K HN 0.432 nan 8.250 nan 0.000 0.458 562 G N 0.578 109.400 108.800 0.037 0.000 2.442 562 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.219 562 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.219 562 G C 1.403 176.214 174.900 -0.148 0.000 1.141 562 G CA 1.247 46.295 45.100 -0.087 0.000 0.763 562 G HN 0.225 nan 8.290 nan 0.000 0.554 563 T N 0.535 114.956 114.554 -0.221 0.000 2.946 563 T HA -0.049 4.299 4.350 -0.002 0.000 0.271 563 T C 1.665 176.106 174.700 -0.432 0.000 1.104 563 T CA 0.781 62.660 62.100 -0.368 0.000 1.114 563 T CB -0.274 68.298 68.868 -0.492 0.000 0.867 563 T HN 0.350 nan 8.240 nan 0.000 0.513 564 F N 0.574 120.503 119.950 -0.034 0.000 2.746 564 F HA 0.291 4.817 4.527 -0.002 0.000 0.297 564 F C 1.242 177.116 175.800 0.123 0.000 1.113 564 F CA -0.113 57.898 58.000 0.017 0.000 1.367 564 F CB 0.248 39.239 39.000 -0.015 0.000 1.111 564 F HN -0.165 nan 8.300 nan 0.000 0.590 565 K N 1.170 121.709 120.400 0.232 0.000 2.126 565 K HA 0.239 4.558 4.320 -0.002 0.000 0.257 565 K C -2.419 174.268 176.600 0.144 0.000 1.007 565 K CA -1.809 54.610 56.287 0.220 0.000 0.928 565 K CB 0.005 32.608 32.500 0.172 0.000 1.013 565 K HN -0.256 nan 8.250 nan 0.000 0.473 566 P HA -0.128 nan 4.420 nan 0.000 0.263 566 P C -0.738 176.442 177.300 -0.200 0.000 1.175 566 P CA 0.824 63.644 63.100 -0.466 0.000 0.761 566 P CB 0.024 31.463 31.700 -0.434 0.000 0.794 567 Y N -1.264 118.868 120.300 -0.279 0.000 4.929 567 Y HA -0.256 4.293 4.550 -0.002 0.000 0.253 567 Y C 1.336 177.157 175.900 -0.131 0.000 0.946 567 Y CA 0.632 58.640 58.100 -0.153 0.000 1.905 567 Y CB -1.920 36.498 38.460 -0.070 0.000 1.400 567 Y HN 0.538 nan 8.280 nan 0.000 0.531 568 G N 0.426 109.229 108.800 0.005 0.000 2.476 568 G HA2 0.365 4.323 3.960 -0.002 0.000 0.269 568 G HA3 0.365 4.323 3.960 -0.002 0.000 0.269 568 G C 0.791 175.648 174.900 -0.073 0.000 1.195 568 G CA 0.011 45.066 45.100 -0.075 0.000 0.843 568 G HN 0.384 nan 8.290 nan 0.000 0.545 569 S N 0.540 116.144 115.700 -0.160 0.000 2.469 569 S HA -0.014 4.455 4.470 -0.002 0.000 0.238 569 S C 1.715 176.233 174.600 -0.138 0.000 0.998 569 S CA 0.946 59.067 58.200 -0.131 0.000 0.957 569 S CB 0.139 63.230 63.200 -0.181 0.000 0.764 569 S HN 0.979 nan 8.310 nan 0.000 0.514 570 A N -0.049 122.615 122.820 -0.260 0.000 2.535 570 A HA 0.406 4.725 4.320 -0.002 0.000 0.273 570 A C 0.091 177.648 177.584 -0.044 0.000 1.267 570 A CA -0.749 51.111 52.037 -0.295 0.000 0.940 570 A CB -0.492 17.994 19.000 -0.858 0.000 1.101 570 A HN 0.513 nan 8.150 nan 0.000 0.521 571 Y N 0.824 121.089 120.300 -0.059 0.000 2.729 571 Y HA 0.290 4.839 4.550 -0.002 0.000 0.331 571 Y C 1.371 177.262 175.900 -0.015 0.000 1.208 571 Y CA 1.553 59.647 58.100 -0.010 0.000 1.521 571 Y CB 0.190 38.615 38.460 -0.059 0.000 1.233 571 Y HN 0.527 nan 8.280 nan 0.000 0.539 572 G N 3.925 112.194 108.800 -0.885 0.000 2.278 572 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.210 572 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.210 572 G C 0.562 175.056 174.900 -0.676 0.000 1.000 572 G CA 0.140 44.712 45.100 -0.880 0.000 0.635 572 G HN 0.700 nan 8.290 nan 0.000 0.495 573 H N 1.317 120.307 119.070 -0.133 0.000 2.505 573 H HA 0.411 4.966 4.556 -0.002 0.000 0.286 573 H C 1.596 176.989 175.328 0.109 0.000 1.072 573 H CA 0.414 56.441 56.048 -0.035 0.000 1.141 573 H CB 0.466 30.183 29.762 -0.075 0.000 1.550 573 H HN 0.503 nan 8.280 nan 0.000 0.547 574 G N 1.055 109.879 108.800 0.040 0.000 2.503 574 G HA2 0.308 4.266 3.960 -0.002 0.000 0.257 574 G HA3 0.308 4.266 3.960 -0.002 0.000 0.257 574 G C 0.075 174.803 174.900 -0.285 0.000 1.214 574 G CA -0.288 44.547 45.100 -0.441 0.000 0.839 574 G HN 0.037 nan 8.290 nan 0.000 0.559 575 V N 0.911 120.629 119.914 -0.326 0.000 2.644 575 V HA 0.236 4.355 4.120 -0.002 0.000 0.295 575 V C 1.393 177.378 176.094 -0.182 0.000 1.053 575 V CA -0.040 62.133 62.300 -0.213 0.000 0.987 575 V CB 1.462 33.165 31.823 -0.199 0.000 1.006 575 V HN 0.888 nan 8.190 nan 0.000 0.472 576 S N 3.348 118.971 115.700 -0.128 0.000 2.325 576 S HA -0.018 4.451 4.470 -0.002 0.000 0.213 576 S C 1.581 176.130 174.600 -0.084 0.000 1.031 576 S CA 1.334 59.475 58.200 -0.098 0.000 0.984 576 S CB -0.476 62.680 63.200 -0.075 0.000 0.939 576 S HN 1.051 nan 8.310 nan 0.000 0.438 577 G N 1.124 109.879 108.800 -0.076 0.000 3.562 577 G HA2 0.436 4.394 3.960 -0.002 0.000 0.279 577 G HA3 0.436 4.394 3.960 -0.002 0.000 0.279 577 G C -0.714 174.140 174.900 -0.076 0.000 1.314 577 G CA -0.105 44.957 45.100 -0.064 0.000 1.189 577 G HN 0.342 nan 8.290 nan 0.000 0.562 578 V N 1.330 121.185 119.914 -0.098 0.000 2.447 578 V HA 0.253 4.372 4.120 -0.002 0.000 0.292 578 V C -0.420 175.600 176.094 -0.123 0.000 1.021 578 V CA -1.455 60.775 62.300 -0.117 0.000 0.850 578 V CB 1.266 33.008 31.823 -0.136 0.000 1.005 578 V HN 0.287 nan 8.190 nan 0.000 0.426 582 A N 0.078 122.752 122.820 -0.244 0.000 2.586 582 A HA 0.843 5.161 4.320 -0.002 0.000 0.291 582 A C -1.632 175.848 177.584 -0.173 0.000 1.062 582 A CA -0.634 51.284 52.037 -0.198 0.000 0.666 582 A CB 2.141 20.970 19.000 -0.285 0.000 1.281 582 A HN 0.707 nan 8.150 nan 0.000 0.421 583 K N 1.529 121.812 120.400 -0.195 0.000 2.507 583 K HA 0.572 4.891 4.320 -0.002 0.000 0.252 583 K C -0.132 176.351 176.600 -0.196 0.000 0.943 583 K CA 0.078 56.283 56.287 -0.136 0.000 0.808 583 K CB 1.720 34.280 32.500 0.101 0.000 1.142 583 K HN 1.098 nan 8.250 nan 0.000 0.426 584 T N -0.700 113.737 114.554 -0.196 0.000 2.816 584 T HA 0.656 5.005 4.350 -0.002 0.000 0.282 584 T C 0.473 175.138 174.700 -0.058 0.000 0.993 584 T CA -0.649 61.357 62.100 -0.156 0.000 0.994 584 T CB 1.464 70.215 68.868 -0.195 0.000 1.025 584 T HN 0.543 nan 8.240 nan 0.000 0.529 585 G N 0.815 109.629 108.800 0.024 0.000 2.564 585 G HA2 0.499 4.458 3.960 -0.002 0.000 0.282 585 G HA3 0.499 4.458 3.960 -0.002 0.000 0.282 585 G C -0.756 174.258 174.900 0.191 0.000 1.469 585 G CA -0.631 44.528 45.100 0.098 0.000 1.185 585 G HN 0.816 nan 8.290 nan 0.000 0.585 586 T N 1.266 115.900 114.554 0.134 0.000 2.771 586 T HA 0.679 5.028 4.350 -0.002 0.000 0.281 586 T C 0.435 175.274 174.700 0.232 0.000 0.982 586 T CA -0.223 61.980 62.100 0.171 0.000 0.978 586 T CB 1.684 70.641 68.868 0.149 0.000 0.930 586 T HN 0.701 nan 8.240 nan 0.000 0.447 587 G N 2.319 111.270 108.800 0.252 0.000 2.470 587 G HA2 0.571 4.530 3.960 -0.002 0.000 0.320 587 G HA3 0.571 4.530 3.960 -0.002 0.000 0.320 587 G C 0.252 175.266 174.900 0.190 0.000 1.245 587 G CA -0.713 44.526 45.100 0.232 0.000 0.935 587 G HN 0.747 nan 8.290 nan 0.000 0.476 588 T N -0.381 114.299 114.554 0.210 0.000 2.771 588 T HA 0.516 4.864 4.350 -0.002 0.000 0.290 588 T C 0.069 174.855 174.700 0.144 0.000 1.005 588 T CA -0.301 61.959 62.100 0.265 0.000 0.944 588 T CB 0.658 69.739 68.868 0.355 0.000 1.147 588 T HN 0.366 nan 8.240 nan 0.000 0.534 589 Y N -0.732 119.709 120.300 0.236 0.000 2.480 589 Y HA 0.554 5.103 4.550 -0.002 0.000 0.323 589 Y C 1.453 177.492 175.900 0.232 0.000 1.267 589 Y CA -0.885 57.269 58.100 0.089 0.000 1.336 589 Y CB 0.481 38.773 38.460 -0.280 0.000 1.361 589 Y HN 0.965 nan 8.280 nan 0.000 0.518 590 G N -0.272 108.732 108.800 0.340 0.000 2.398 590 G HA2 0.313 4.272 3.960 -0.002 0.000 0.246 590 G HA3 0.313 4.272 3.960 -0.002 0.000 0.246 590 G C 0.653 175.755 174.900 0.336 0.000 1.289 590 G CA 0.032 45.301 45.100 0.281 0.000 0.869 590 G HN 0.907 nan 8.290 nan 0.000 0.543 591 A N 1.976 124.978 122.820 0.303 0.000 2.178 591 A HA -0.012 4.306 4.320 -0.002 0.000 0.218 591 A C 2.016 179.739 177.584 0.232 0.000 1.157 591 A CA 1.770 53.988 52.037 0.303 0.000 0.689 591 A CB -0.159 18.926 19.000 0.142 0.000 0.787 591 A HN 0.684 nan 8.150 nan 0.000 0.465 592 E N -0.777 119.529 120.200 0.176 0.000 2.072 592 E HA -0.071 4.278 4.350 -0.002 0.000 0.190 592 E C 1.936 178.608 176.600 0.120 0.000 0.982 592 E CA 1.644 58.118 56.400 0.123 0.000 0.803 592 E CB -0.540 29.219 29.700 0.099 0.000 0.755 592 E HN 0.498 nan 8.360 nan 0.000 0.453 593 T N 0.162 114.792 114.554 0.126 0.000 2.904 593 T HA -0.101 4.248 4.350 -0.002 0.000 0.267 593 T C 1.259 175.924 174.700 -0.058 0.000 1.059 593 T CA 0.844 62.981 62.100 0.063 0.000 1.137 593 T CB -0.387 68.480 68.868 -0.002 0.000 0.879 593 T HN 0.166 nan 8.240 nan 0.000 0.467 594 Y N 2.195 122.490 120.300 -0.009 0.000 2.053 594 Y HA -0.234 4.315 4.550 -0.002 0.000 0.277 594 Y C 3.085 178.973 175.900 -0.020 0.000 1.159 594 Y CA 1.741 59.819 58.100 -0.036 0.000 1.125 594 Y CB -0.554 37.911 38.460 0.009 0.000 0.969 594 Y HN 0.292 nan 8.280 nan 0.000 0.492 595 S N -0.531 115.263 115.700 0.156 0.000 2.402 595 S HA -0.264 4.205 4.470 -0.002 0.000 0.229 595 S C 1.951 176.549 174.600 -0.004 0.000 1.021 595 S CA 1.312 59.553 58.200 0.068 0.000 0.974 595 S CB -0.549 62.684 63.200 0.055 0.000 0.800 595 S HN 0.615 nan 8.310 nan 0.000 0.484 596 Q N -0.296 119.494 119.800 -0.015 0.000 2.079 596 Q HA -0.044 4.295 4.340 -0.002 0.000 0.200 596 Q C 0.820 176.645 176.000 -0.292 0.000 0.974 596 Q CA 1.357 57.083 55.803 -0.128 0.000 0.840 596 Q CB -0.155 28.533 28.738 -0.084 0.000 0.898 596 Q HN 0.779 nan 8.270 nan 0.000 0.430 597 Y N 0.573 120.753 120.300 -0.200 0.000 2.524 597 Y HA 0.241 4.789 4.550 -0.002 0.000 0.266 597 Y C -0.275 175.433 175.900 -0.320 0.000 1.180 597 Y CA -0.428 57.502 58.100 -0.284 0.000 1.244 597 Y CB 0.545 38.810 38.460 -0.325 0.000 1.125 597 Y HN 0.119 nan 8.280 nan 0.000 0.524 598 N N 1.277 119.912 118.700 -0.109 0.000 2.699 598 N HA -0.213 4.526 4.740 -0.002 0.000 0.256 598 N C -0.972 174.549 175.510 0.018 0.000 0.993 598 N CA 0.737 53.760 53.050 -0.045 0.000 0.759 598 N CB -1.275 37.156 38.487 -0.093 0.000 0.906 598 N HN 0.399 nan 8.380 nan 0.000 0.541 599 L N 1.060 122.284 121.223 0.002 0.000 2.331 599 L HA 0.334 4.673 4.340 -0.002 0.000 0.278 599 L C -1.368 175.620 176.870 0.197 0.000 1.106 599 L CA -1.507 53.337 54.840 0.006 0.000 0.824 599 L CB 0.327 42.207 42.059 -0.297 0.000 1.142 599 L HN -0.068 nan 8.230 nan 0.000 0.443 600 P HA 0.038 nan 4.420 nan 0.000 0.269 600 P C -0.256 177.183 177.300 0.232 0.000 1.209 600 P CA -0.260 62.949 63.100 0.182 0.000 0.776 600 P CB 0.880 32.669 31.700 0.150 0.000 0.876 601 D N 1.075 121.556 120.400 0.134 0.000 2.170 601 D HA -0.222 4.416 4.640 -0.002 0.000 0.193 601 D C 1.080 177.438 176.300 0.096 0.000 1.004 601 D CA 1.772 55.791 54.000 0.032 0.000 0.860 601 D CB -0.526 40.266 40.800 -0.013 0.000 0.931 601 D HN 0.535 nan 8.370 nan 0.000 0.448 602 N N 0.088 118.897 118.700 0.181 0.000 2.455 602 N HA 0.214 4.953 4.740 -0.002 0.000 0.258 602 N C -0.964 174.756 175.510 0.351 0.000 1.158 602 N CA -0.234 52.977 53.050 0.268 0.000 0.893 602 N CB -0.012 38.664 38.487 0.316 0.000 1.173 602 N HN 0.028 nan 8.380 nan 0.000 0.503 603 A N -0.069 122.992 122.820 0.402 0.000 2.274 603 A HA 0.789 5.108 4.320 -0.002 0.000 0.309 603 A C -0.041 177.860 177.584 0.529 0.000 1.226 603 A CA -0.644 51.636 52.037 0.405 0.000 0.853 603 A CB 0.615 19.786 19.000 0.286 0.000 1.146 603 A HN 0.504 nan 8.150 nan 0.000 0.518 604 A N 2.101 125.210 122.820 0.483 0.000 2.340 604 A HA 0.635 4.954 4.320 -0.002 0.000 0.331 604 A C 0.852 178.597 177.584 0.268 0.000 1.140 604 A CA -0.460 51.816 52.037 0.399 0.000 0.801 604 A CB 1.103 20.344 19.000 0.401 0.000 1.234 604 A HN 0.948 nan 8.150 nan 0.000 0.469 605 K N 0.375 120.654 120.400 -0.202 0.000 2.121 605 K HA 0.050 4.369 4.320 -0.002 0.000 0.203 605 K C -0.551 176.152 176.600 0.170 0.000 1.041 605 K CA 0.877 56.898 56.287 -0.445 0.000 0.969 605 K CB 0.150 32.028 32.500 -1.037 0.000 0.799 605 K HN 0.825 nan 8.250 nan 0.000 0.456 606 D N 1.313 121.839 120.400 0.209 0.000 2.457 606 D HA 0.272 4.911 4.640 -0.002 0.000 0.240 606 D C -0.916 175.428 176.300 0.073 0.000 1.041 606 D CA -0.524 53.612 54.000 0.228 0.000 0.861 606 D CB 2.495 43.614 40.800 0.532 0.000 1.394 606 D HN 0.058 nan 8.370 nan 0.000 0.473 607 V N -1.783 117.936 119.914 -0.325 0.000 2.841 607 V HA 0.751 4.870 4.120 -0.002 0.000 0.310 607 V C -1.632 174.253 176.094 -0.347 0.000 1.090 607 V CA -0.855 61.263 62.300 -0.303 0.000 0.930 607 V CB 1.850 33.268 31.823 -0.674 0.000 1.014 607 V HN 0.511 nan 8.190 nan 0.000 0.425 608 W N 2.962 124.157 121.300 -0.174 0.000 2.950 608 W HA 0.856 5.515 4.660 -0.002 0.000 0.340 608 W C -0.723 175.687 176.519 -0.183 0.000 1.139 608 W CA -0.839 56.444 57.345 -0.103 0.000 1.188 608 W CB 2.045 31.521 29.460 0.026 0.000 1.426 608 W HN 0.780 nan 8.180 nan 0.000 0.531 609 I N 3.089 123.691 120.570 0.053 0.000 2.512 609 I HA 0.372 4.541 4.170 -0.002 0.000 0.287 609 I C -1.215 174.810 176.117 -0.153 0.000 1.069 609 I CA -0.608 60.599 61.300 -0.154 0.000 1.056 609 I CB 0.903 38.679 38.000 -0.374 0.000 1.229 609 I HN 0.385 nan 8.210 nan 0.000 0.429 610 N N 6.527 125.067 118.700 -0.267 0.000 2.501 610 N HA 0.448 5.187 4.740 -0.002 0.000 0.245 610 N C -0.402 174.889 175.510 -0.365 0.000 0.974 610 N CA -0.399 52.433 53.050 -0.363 0.000 0.941 610 N CB 2.105 40.067 38.487 -0.875 0.000 1.122 610 N HN 0.715 nan 8.380 nan 0.000 0.507 611 G N 1.161 109.934 108.800 -0.044 0.000 2.511 611 G HA2 0.780 4.739 3.960 -0.002 0.000 0.318 611 G HA3 0.780 4.739 3.960 -0.002 0.000 0.318 611 G C -1.166 174.014 174.900 0.467 0.000 1.210 611 G CA -0.606 44.580 45.100 0.143 0.000 0.969 611 G HN 0.428 nan 8.290 nan 0.000 0.484 612 F N -0.660 119.485 119.950 0.327 0.000 2.604 612 F HA 0.695 5.220 4.527 -0.002 0.000 0.316 612 F C -0.063 175.966 175.800 0.383 0.000 1.136 612 F CA -1.245 56.964 58.000 0.348 0.000 0.989 612 F CB 1.143 40.371 39.000 0.380 0.000 1.258 612 F HN 0.686 nan 8.300 nan 0.000 0.451 613 T N -0.965 113.782 114.554 0.321 0.000 2.923 613 T HA 0.565 4.913 4.350 -0.002 0.000 0.281 613 T C -2.325 172.395 174.700 0.034 0.000 0.995 613 T CA -2.328 59.811 62.100 0.065 0.000 0.985 613 T CB 1.889 70.732 68.868 -0.041 0.000 1.114 613 T HN 0.350 nan 8.240 nan 0.000 0.548 614 P HA -0.049 nan 4.420 nan 0.000 0.222 614 P C 1.431 178.692 177.300 -0.064 0.000 1.147 614 P CA 0.871 63.869 63.100 -0.170 0.000 0.790 614 P CB 0.137 31.657 31.700 -0.299 0.000 0.780 615 Q N -1.587 118.133 119.800 -0.134 0.000 2.107 615 Q HA -0.012 4.327 4.340 -0.002 0.000 0.195 615 Q C -0.054 175.841 176.000 -0.175 0.000 0.964 615 Q CA 0.803 56.445 55.803 -0.268 0.000 0.833 615 Q CB 0.121 28.546 28.738 -0.521 0.000 0.910 615 Q HN 0.219 nan 8.270 nan 0.000 0.465 616 Y N -0.099 120.230 120.300 0.049 0.000 2.462 616 Y HA 0.383 4.931 4.550 -0.002 0.000 0.346 616 Y C -0.278 175.713 175.900 0.151 0.000 0.976 616 Y CA -1.328 56.811 58.100 0.065 0.000 1.044 616 Y CB 2.510 40.980 38.460 0.016 0.000 1.230 616 Y HN -0.055 nan 8.280 nan 0.000 0.455 620 V N 5.368 125.392 119.914 0.182 0.000 2.555 620 V HA 0.760 4.878 4.120 -0.002 0.000 0.302 620 V C -0.148 175.926 176.094 -0.033 0.000 1.038 620 V CA -0.519 61.825 62.300 0.073 0.000 0.887 620 V CB 1.653 33.490 31.823 0.022 0.000 0.991 620 V HN 0.886 nan 8.190 nan 0.000 0.434 624 F N 0.071 120.018 119.950 -0.006 0.000 2.588 624 F HA 0.484 5.010 4.527 -0.002 0.000 0.310 624 F C 1.594 177.444 175.800 0.084 0.000 1.082 624 F CA 0.085 58.076 58.000 -0.016 0.000 0.929 624 F CB 2.576 41.508 39.000 -0.114 0.000 1.254 624 F HN 0.569 nan 8.300 nan 0.000 0.455 625 S N 1.088 116.936 115.700 0.246 0.000 2.383 625 S HA -0.119 4.350 4.470 -0.002 0.000 0.229 625 S C 0.167 174.855 174.600 0.147 0.000 1.030 625 S CA 1.242 59.547 58.200 0.176 0.000 1.002 625 S CB -0.495 62.777 63.200 0.120 0.000 0.829 625 S HN 0.690 nan 8.310 nan 0.000 0.467 626 K N -0.654 119.824 120.400 0.130 0.000 2.578 626 K HA 0.594 4.913 4.320 -0.002 0.000 0.269 626 K C -1.146 175.428 176.600 -0.043 0.000 0.941 626 K CA -0.926 55.391 56.287 0.051 0.000 0.847 626 K CB 1.593 34.114 32.500 0.036 0.000 1.397 626 K HN -0.057 nan 8.250 nan 0.000 0.422 627 V N 1.930 121.745 119.914 -0.164 0.000 3.096 627 V HA 0.267 4.385 4.120 -0.002 0.000 0.306 627 V C -0.628 175.166 176.094 -0.500 0.000 1.088 627 V CA 0.577 62.629 62.300 -0.413 0.000 1.129 627 V CB 0.718 32.124 31.823 -0.695 0.000 1.014 627 V HN 0.814 nan 8.190 nan 0.000 0.486 628 K N 2.801 122.941 120.400 -0.434 0.000 2.551 628 K HA 0.348 4.667 4.320 -0.002 0.000 0.269 628 K C -1.355 175.229 176.600 -0.027 0.000 0.949 628 K CA -0.900 55.318 56.287 -0.115 0.000 0.849 628 K CB 2.021 34.462 32.500 -0.099 0.000 1.411 628 K HN 0.675 nan 8.250 nan 0.000 0.432 629 Q N 0.722 120.555 119.800 0.055 0.000 2.361 629 Q HA -0.000 4.338 4.340 -0.002 0.000 0.276 629 Q C -0.669 175.227 176.000 -0.173 0.000 1.022 629 Q CA 1.328 57.012 55.803 -0.199 0.000 0.898 629 Q CB 0.029 28.502 28.738 -0.441 0.000 1.246 629 Q HN 0.630 nan 8.270 nan 0.000 0.410 630 Y N 1.264 121.566 120.300 0.003 0.000 4.929 630 Y HA -0.363 4.186 4.550 -0.002 0.000 0.253 630 Y C 1.121 176.998 175.900 -0.038 0.000 0.946 630 Y CA 0.665 58.757 58.100 -0.012 0.000 1.905 630 Y CB -1.675 36.782 38.460 -0.005 0.000 1.400 630 Y HN 0.912 nan 8.280 nan 0.000 0.531 631 G N -0.413 108.388 108.800 0.001 0.000 2.179 631 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.220 631 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.220 631 G C 0.525 175.341 174.900 -0.140 0.000 0.990 631 G CA 0.624 45.681 45.100 -0.071 0.000 0.646 631 G HN 0.517 nan 8.290 nan 0.000 0.517 632 E N 0.287 120.427 120.200 -0.099 0.000 2.108 632 E HA -0.202 4.146 4.350 -0.002 0.000 0.203 632 E C 1.184 177.596 176.600 -0.315 0.000 1.022 632 E CA 1.626 57.954 56.400 -0.119 0.000 0.823 632 E CB -0.089 29.583 29.700 -0.047 0.000 0.744 632 E HN 0.424 nan 8.360 nan 0.000 0.456 633 N N 0.237 118.618 118.700 -0.532 0.000 2.546 633 N HA 0.165 4.904 4.740 -0.002 0.000 0.286 633 N C -1.624 172.685 175.510 -2.002 0.000 1.259 633 N CA -0.023 52.296 53.050 -1.218 0.000 0.939 633 N CB 1.313 39.454 38.487 -0.576 0.000 1.243 633 N HN -0.060 nan 8.380 nan 0.000 0.511 634 S N -0.555 114.350 115.700 -1.325 0.000 2.627 634 S HA 0.529 4.998 4.470 -0.002 0.000 0.283 634 S C -0.684 173.661 174.600 -0.426 0.000 1.127 634 S CA -0.709 57.051 58.200 -0.733 0.000 0.863 634 S CB 1.210 64.302 63.200 -0.181 0.000 1.121 634 S HN 0.087 nan 8.310 nan 0.000 0.479 635 F N 1.425 121.494 119.950 0.197 0.000 2.404 635 F HA 0.507 5.033 4.527 -0.002 0.000 0.358 635 F C -0.166 175.728 175.800 0.157 0.000 1.120 635 F CA -0.668 57.458 58.000 0.210 0.000 1.144 635 F CB 0.771 39.884 39.000 0.188 0.000 1.133 635 F HN 0.104 nan 8.300 nan 0.000 0.495 636 V N 3.236 123.303 119.914 0.254 0.000 2.407 636 V HA 0.853 4.972 4.120 -0.002 0.000 0.291 636 V C 0.233 176.432 176.094 0.176 0.000 1.018 636 V CA -0.775 61.651 62.300 0.210 0.000 0.842 636 V CB 0.864 32.778 31.823 0.152 0.000 0.996 636 V HN 1.082 nan 8.190 nan 0.000 0.426 637 G N 2.955 111.873 108.800 0.195 0.000 2.712 637 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.686 637 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.686 637 G C 0.138 175.112 174.900 0.123 0.000 1.321 637 G CA 0.444 45.641 45.100 0.163 0.000 0.813 637 G HN 1.145 nan 8.290 nan 0.000 0.599 638 H N 0.602 119.686 119.070 0.024 0.000 2.319 638 H HA -0.053 4.501 4.556 -0.002 0.000 0.299 638 H C 2.919 178.214 175.328 -0.056 0.000 1.092 638 H CA 3.117 59.148 56.048 -0.028 0.000 1.302 638 H CB -0.126 29.626 29.762 -0.017 0.000 1.373 638 H HN 0.572 nan 8.280 nan 0.000 0.497 639 S N -0.359 115.327 115.700 -0.025 0.000 2.368 639 S HA -0.268 4.201 4.470 -0.002 0.000 0.226 639 S C 2.084 176.448 174.600 -0.394 0.000 1.044 639 S CA 1.948 60.086 58.200 -0.103 0.000 1.062 639 S CB -0.224 62.979 63.200 0.005 0.000 0.931 639 S HN 0.607 nan 8.310 nan 0.000 0.440 640 Q N -0.064 119.498 119.800 -0.397 0.000 2.172 640 Q HA -0.042 4.297 4.340 -0.002 0.000 0.200 640 Q C 2.286 177.926 176.000 -0.600 0.000 0.964 640 Q CA 1.069 56.435 55.803 -0.728 0.000 0.855 640 Q CB -0.066 28.653 28.738 -0.031 0.000 0.918 640 Q HN 0.611 nan 8.270 nan 0.000 0.444 641 Q N 0.103 119.695 119.800 -0.347 0.000 2.369 641 Q HA -0.136 4.203 4.340 -0.002 0.000 0.206 641 Q C 1.495 177.210 176.000 -0.474 0.000 0.963 641 Q CA 0.680 56.254 55.803 -0.382 0.000 0.894 641 Q CB 0.160 28.776 28.738 -0.204 0.000 0.965 641 Q HN 0.357 nan 8.270 nan 0.000 0.475 642 E N -0.011 119.884 120.200 -0.509 0.000 2.358 642 E HA -0.132 4.216 4.350 -0.002 0.000 0.195 642 E C 0.930 177.421 176.600 -0.183 0.000 1.010 642 E CA 0.133 56.282 56.400 -0.418 0.000 0.856 642 E CB 0.072 29.542 29.700 -0.384 0.000 0.795 642 E HN 0.463 nan 8.360 nan 0.000 0.504 643 Y N 0.977 121.205 120.300 -0.121 0.000 2.062 643 Y HA -0.261 4.287 4.550 -0.002 0.000 0.273 643 Y C -0.436 175.297 175.900 -0.279 0.000 1.206 643 Y CA 1.391 59.419 58.100 -0.120 0.000 1.125 643 Y CB -1.354 37.024 38.460 -0.136 0.000 0.951 643 Y HN 0.314 nan 8.280 nan 0.000 0.501 644 P HA -0.203 nan 4.420 nan 0.000 0.218 644 P C 0.733 177.868 177.300 -0.275 0.000 1.146 644 P CA 1.750 64.686 63.100 -0.273 0.000 0.813 644 P CB -0.108 31.420 31.700 -0.287 0.000 0.778 645 Q N -1.724 117.872 119.800 -0.339 0.000 2.224 645 Q HA -0.089 4.249 4.340 -0.002 0.000 0.203 645 Q C 1.967 177.697 176.000 -0.450 0.000 0.970 645 Q CA 1.024 56.545 55.803 -0.469 0.000 0.865 645 Q CB -0.508 27.718 28.738 -0.855 0.000 0.922 645 Q HN 0.241 nan 8.270 nan 0.000 0.445 646 F N 0.153 119.797 119.950 -0.511 0.000 2.075 646 F HA -0.221 4.304 4.527 -0.002 0.000 0.297 646 F C 2.067 177.597 175.800 -0.449 0.000 1.113 646 F CA 0.880 58.659 58.000 -0.368 0.000 1.218 646 F CB -0.640 38.122 39.000 -0.397 0.000 0.984 646 F HN 0.098 nan 8.300 nan 0.000 0.472 647 L N -0.492 120.340 121.223 -0.651 0.000 2.013 647 L HA -0.278 4.061 4.340 -0.002 0.000 0.212 647 L C 2.307 179.095 176.870 -0.136 0.000 1.073 647 L CA 1.821 56.376 54.840 -0.474 0.000 0.753 647 L CB -1.229 40.551 42.059 -0.464 0.000 0.890 647 L HN 0.285 nan 8.230 nan 0.000 0.432 648 Y N 0.382 120.559 120.300 -0.205 0.000 2.114 648 Y HA -0.311 4.237 4.550 -0.002 0.000 0.282 648 Y C 2.650 178.506 175.900 -0.073 0.000 1.165 648 Y CA 2.411 60.446 58.100 -0.108 0.000 1.148 648 Y CB -0.297 38.108 38.460 -0.093 0.000 0.972 648 Y HN 0.455 nan 8.280 nan 0.000 0.504 649 E N -0.231 119.985 120.200 0.026 0.000 2.072 649 E HA -0.226 4.123 4.350 -0.002 0.000 0.191 649 E C 1.646 178.189 176.600 -0.095 0.000 0.985 649 E CA 1.412 57.792 56.400 -0.033 0.000 0.801 649 E CB -0.145 29.609 29.700 0.091 0.000 0.750 649 E HN 0.553 nan 8.360 nan 0.000 0.452 650 N N -0.055 118.620 118.700 -0.041 0.000 2.244 650 N HA -0.065 4.674 4.740 -0.002 0.000 0.183 650 N C 0.592 176.068 175.510 -0.056 0.000 1.016 650 N CA 0.414 53.459 53.050 -0.008 0.000 0.866 650 N CB 0.051 38.586 38.487 0.080 0.000 0.980 650 N HN -0.051 nan 8.380 nan 0.000 0.430 654 K N 1.828 122.187 120.400 -0.067 0.000 2.057 654 K HA 0.189 4.508 4.320 -0.002 0.000 0.206 654 K C 2.117 178.701 176.600 -0.026 0.000 1.050 654 K CA 1.847 58.109 56.287 -0.042 0.000 0.935 654 K CB -0.312 32.165 32.500 -0.037 0.000 0.715 654 K HN 0.774 nan 8.250 nan 0.000 0.439 655 I N -2.433 118.121 120.570 -0.026 0.000 3.645 655 I HA 0.133 4.302 4.170 -0.002 0.000 0.300 655 I C 0.075 176.276 176.117 0.139 0.000 1.260 655 I CA -0.277 61.042 61.300 0.033 0.000 1.365 655 I CB 0.414 38.387 38.000 -0.046 0.000 1.077 655 I HN -0.159 nan 8.210 nan 0.000 0.439 656 S N 2.045 117.791 115.700 0.076 0.000 2.592 656 S HA 0.281 4.750 4.470 -0.002 0.000 0.271 656 S C 0.483 175.078 174.600 -0.007 0.000 1.326 656 S CA -0.362 57.871 58.200 0.055 0.000 1.024 656 S CB 1.027 64.220 63.200 -0.011 0.000 0.921 656 S HN 0.608 nan 8.310 nan 0.000 0.527 657 S N 1.552 117.221 115.700 -0.050 0.000 2.610 657 S HA 0.469 4.938 4.470 -0.002 0.000 0.273 657 S C 0.159 174.720 174.600 -0.066 0.000 1.274 657 S CA -0.839 57.325 58.200 -0.059 0.000 1.023 657 S CB 0.771 63.924 63.200 -0.079 0.000 0.962 657 S HN 0.517 nan 8.310 nan 0.000 0.523 658 R N 0.614 121.081 120.500 -0.055 0.000 2.466 658 R HA 0.190 4.529 4.340 -0.002 0.000 0.279 658 R C 0.600 176.869 176.300 -0.053 0.000 0.976 658 R CA 0.110 56.177 56.100 -0.055 0.000 1.081 658 R CB -0.548 29.725 30.300 -0.046 0.000 1.215 658 R HN 0.856 nan 8.270 nan 0.000 0.546 659 D N -1.239 119.126 120.400 -0.058 0.000 2.392 659 D HA 0.005 4.643 4.640 -0.002 0.000 0.228 659 D C 1.204 177.475 176.300 -0.048 0.000 1.003 659 D CA 0.988 54.958 54.000 -0.050 0.000 0.917 659 D CB 0.036 40.804 40.800 -0.055 0.000 0.890 659 D HN 0.209 nan 8.370 nan 0.000 0.532 660 G N 0.002 108.768 108.800 -0.056 0.000 2.234 660 G HA2 -0.316 3.642 3.960 -0.002 0.000 0.235 660 G HA3 -0.316 3.642 3.960 -0.002 0.000 0.235 660 G C 0.067 174.932 174.900 -0.058 0.000 0.997 660 G CA 0.069 45.141 45.100 -0.048 0.000 0.623 660 G HN 0.568 nan 8.290 nan 0.000 0.514 661 E N 1.122 121.277 120.200 -0.075 0.000 2.608 661 E HA 0.298 4.647 4.350 -0.002 0.000 0.259 661 E C -0.468 176.055 176.600 -0.129 0.000 0.951 661 E CA 0.543 56.890 56.400 -0.088 0.000 0.945 661 E CB 0.272 29.907 29.700 -0.107 0.000 0.916 661 E HN 0.262 nan 8.360 nan 0.000 0.477 662 D N 2.613 122.956 120.400 -0.095 0.000 2.490 662 D HA 0.228 4.866 4.640 -0.002 0.000 0.232 662 D C -1.060 175.207 176.300 -0.055 0.000 1.053 662 D CA -0.763 53.170 54.000 -0.111 0.000 0.914 662 D CB 0.667 41.486 40.800 0.032 0.000 1.431 662 D HN 0.218 nan 8.370 nan 0.000 0.483 663 F N 1.502 121.532 119.950 0.133 0.000 2.612 663 F HA 0.054 4.580 4.527 -0.002 0.000 0.389 663 F C 1.310 177.260 175.800 0.250 0.000 1.055 663 F CA 0.054 58.166 58.000 0.186 0.000 1.232 663 F CB 0.026 39.136 39.000 0.184 0.000 1.044 663 F HN 0.076 nan 8.300 nan 0.000 0.560 664 K N 3.338 123.957 120.400 0.365 0.000 2.436 664 K HA 0.181 4.500 4.320 -0.002 0.000 0.275 664 K C -0.180 176.590 176.600 0.283 0.000 0.999 664 K CA -0.602 55.838 56.287 0.256 0.000 0.980 664 K CB 0.778 33.378 32.500 0.166 0.000 0.919 664 K HN 0.705 nan 8.250 nan 0.000 0.484 665 R N 3.327 123.885 120.500 0.096 0.000 2.295 665 R HA 0.332 4.671 4.340 -0.002 0.000 0.324 665 R C -2.347 173.844 176.300 -0.183 0.000 0.968 665 R CA -1.575 54.387 56.100 -0.230 0.000 0.837 665 R CB 0.962 31.143 30.300 -0.198 0.000 1.133 665 R HN 0.638 nan 8.270 nan 0.000 0.450 666 P HA 0.132 nan 4.420 nan 0.000 0.282 666 P C -0.009 177.237 177.300 -0.090 0.000 1.259 666 P CA -0.678 62.369 63.100 -0.089 0.000 0.826 666 P CB 1.829 33.522 31.700 -0.013 0.000 1.064 667 S N -0.232 115.449 115.700 -0.032 0.000 2.428 667 S HA -0.131 4.338 4.470 -0.002 0.000 0.230 667 S C 1.654 176.246 174.600 -0.014 0.000 1.014 667 S CA 1.161 59.347 58.200 -0.024 0.000 0.957 667 S CB -1.289 61.908 63.200 -0.005 0.000 0.784 667 S HN 0.576 nan 8.310 nan 0.000 0.499 668 S N 1.233 116.941 115.700 0.014 0.000 2.555 668 S HA 0.126 4.595 4.470 -0.002 0.000 0.230 668 S C 0.729 175.333 174.600 0.006 0.000 0.978 668 S CA 0.100 58.320 58.200 0.032 0.000 0.934 668 S CB -1.069 62.206 63.200 0.124 0.000 0.766 668 S HN 0.830 nan 8.310 nan 0.000 0.533 669 V N -2.229 117.681 119.914 -0.007 0.000 2.975 669 V HA 0.904 5.023 4.120 -0.002 0.000 0.318 669 V C -0.238 175.844 176.094 -0.020 0.000 1.077 669 V CA -0.598 61.700 62.300 -0.004 0.000 1.000 669 V CB 1.499 33.328 31.823 0.009 0.000 1.066 669 V HN 0.231 nan 8.190 nan 0.000 0.452 670 S N 0.571 116.276 115.700 0.008 0.000 2.537 670 S HA 0.832 5.301 4.470 -0.002 0.000 0.271 670 S C -0.265 174.356 174.600 0.035 0.000 1.148 670 S CA 0.690 58.897 58.200 0.011 0.000 0.868 670 S CB 1.027 64.225 63.200 -0.002 0.000 1.115 670 S HN 2.904 nan 8.310 nan 0.000 0.461 671 G N 1.731 110.552 108.800 0.035 0.000 2.549 671 G HA2 0.265 4.223 3.960 -0.002 0.000 0.404 671 G HA3 0.265 4.223 3.960 -0.002 0.000 0.404 671 G C -0.539 174.398 174.900 0.062 0.000 1.292 671 G CA -0.047 45.077 45.100 0.040 0.000 0.935 671 G HN 1.669 nan 8.290 nan 0.000 0.512 672 S N -1.266 114.464 115.700 0.049 0.000 2.546 672 S HA 0.620 5.088 4.470 -0.002 0.000 0.274 672 S C 0.203 174.810 174.600 0.013 0.000 1.121 672 S CA -0.745 57.490 58.200 0.058 0.000 0.887 672 S CB 1.150 64.376 63.200 0.043 0.000 1.094 672 S HN 1.127 nan 8.310 nan 0.000 0.474 673 I N 4.666 125.240 120.570 0.007 0.000 2.906 673 I HA 0.085 4.254 4.170 -0.002 0.000 0.302 673 I C -1.013 175.005 176.117 -0.165 0.000 1.220 673 I CA -0.833 60.408 61.300 -0.099 0.000 1.441 673 I CB 0.549 38.509 38.000 -0.066 0.000 1.336 673 I HN 0.635 nan 8.210 nan 0.000 0.565 674 P HA 0.037 nan 4.420 nan 0.000 0.257 674 P C -0.077 177.081 177.300 -0.236 0.000 1.325 674 P CA 0.178 62.969 63.100 -0.515 0.000 0.850 674 P CB 0.152 31.429 31.700 -0.704 0.000 1.324 675 S N 0.535 116.169 115.700 -0.111 0.000 2.128 675 S HA 0.444 4.913 4.470 -0.002 0.000 0.157 675 S C 0.151 174.758 174.600 0.012 0.000 1.650 675 S CA -0.827 57.350 58.200 -0.038 0.000 1.269 675 S CB -0.975 62.202 63.200 -0.038 0.000 1.227 675 S HN 0.169 nan 8.310 nan 0.000 0.405 676 I N 0.435 121.033 120.570 0.048 0.000 2.392 676 I HA 0.750 4.918 4.170 -0.002 0.000 0.295 676 I C -0.748 175.429 176.117 0.100 0.000 0.985 676 I CA -0.906 60.450 61.300 0.094 0.000 1.221 676 I CB 1.237 39.339 38.000 0.170 0.000 1.366 676 I HN 0.437 nan 8.210 nan 0.000 0.467 677 N N 3.790 122.536 118.700 0.077 0.000 2.577 677 N HA 0.591 5.329 4.740 -0.002 0.000 0.285 677 N C -1.152 174.365 175.510 0.011 0.000 1.309 677 N CA -1.020 52.067 53.050 0.061 0.000 0.798 677 N CB 1.602 40.117 38.487 0.047 0.000 1.463 677 N HN 0.405 nan 8.380 nan 0.000 0.518 678 V N 0.337 120.218 119.914 -0.056 0.000 2.508 678 V HA 0.200 4.319 4.120 -0.002 0.000 0.281 678 V C 0.436 176.451 176.094 -0.131 0.000 1.041 678 V CA -0.541 61.635 62.300 -0.207 0.000 1.016 678 V CB 0.935 32.499 31.823 -0.431 0.000 0.984 678 V HN 0.769 nan 8.190 nan 0.000 0.478 679 S N 3.906 119.536 115.700 -0.117 0.000 2.437 679 S HA 0.472 4.941 4.470 -0.002 0.000 0.304 679 S C 1.093 175.658 174.600 -0.058 0.000 1.167 679 S CA 0.679 58.842 58.200 -0.061 0.000 1.106 679 S CB -0.517 62.659 63.200 -0.041 0.000 1.099 679 S HN 1.388 nan 8.310 nan 0.000 0.524 680 G N 3.182 111.957 108.800 -0.041 0.000 2.380 680 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.197 680 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.197 680 G C 0.089 174.973 174.900 -0.026 0.000 1.001 680 G CA 0.016 45.098 45.100 -0.030 0.000 0.668 680 G HN 0.740 nan 8.290 nan 0.000 0.483 681 S N 1.693 117.371 115.700 -0.037 0.000 2.062 681 S HA 0.479 4.947 4.470 -0.002 0.000 0.163 681 S C 0.006 174.608 174.600 0.002 0.000 1.612 681 S CA -0.445 57.744 58.200 -0.018 0.000 1.251 681 S CB 1.256 64.436 63.200 -0.032 0.000 1.174 681 S HN 0.522 nan 8.310 nan 0.000 0.428 682 Q N 1.646 121.451 119.800 0.008 0.000 2.421 682 Q HA 0.091 4.430 4.340 -0.002 0.000 0.255 682 Q C -0.668 175.357 176.000 0.041 0.000 1.013 682 Q CA 0.208 56.023 55.803 0.020 0.000 0.895 682 Q CB 0.564 29.308 28.738 0.010 0.000 1.271 682 Q HN 0.364 nan 8.270 nan 0.000 0.460 683 D N 1.487 121.919 120.400 0.053 0.000 2.280 683 D HA 0.119 4.758 4.640 -0.002 0.000 0.236 683 D C -0.752 175.560 176.300 0.019 0.000 1.082 683 D CA -0.410 53.633 54.000 0.071 0.000 0.834 683 D CB 0.624 41.498 40.800 0.123 0.000 1.100 683 D HN 0.288 nan 8.370 nan 0.000 0.486 684 N N 3.875 122.578 118.700 0.006 0.000 3.091 684 N HA 0.091 4.829 4.740 -0.002 0.000 0.301 684 N C -0.336 175.117 175.510 -0.096 0.000 1.325 684 N CA -0.003 53.026 53.050 -0.033 0.000 1.143 684 N CB -0.151 38.325 38.487 -0.019 0.000 1.450 684 N HN 0.355 nan 8.380 nan 0.000 0.542 685 N N 0.045 118.651 118.700 -0.157 0.000 2.498 685 N HA -0.022 4.716 4.740 -0.002 0.000 0.272 685 N C -1.025 174.293 175.510 -0.319 0.000 1.534 685 N CA 0.044 52.896 53.050 -0.329 0.000 0.873 685 N CB 0.657 38.736 38.487 -0.680 0.000 1.415 685 N HN 0.117 nan 8.380 nan 0.000 0.496 686 T N -0.731 113.722 114.554 -0.168 0.000 2.811 686 T HA 0.358 4.706 4.350 -0.002 0.000 0.309 686 T C 0.511 175.151 174.700 -0.099 0.000 1.005 686 T CA -0.339 61.692 62.100 -0.115 0.000 0.955 686 T CB 0.247 69.080 68.868 -0.058 0.000 0.970 686 T HN 0.041 nan 8.240 nan 0.000 0.496 687 T N 2.828 117.319 114.554 -0.105 0.000 2.918 687 T HA 0.239 4.587 4.350 -0.002 0.000 0.302 687 T C 0.635 175.303 174.700 -0.052 0.000 1.045 687 T CA -0.928 61.127 62.100 -0.075 0.000 1.114 687 T CB 0.335 69.160 68.868 -0.072 0.000 0.965 687 T HN 0.537 nan 8.240 nan 0.000 0.540 688 N N 0.991 119.664 118.700 -0.044 0.000 2.380 688 N HA 0.132 4.871 4.740 -0.002 0.000 0.255 688 N C -0.072 175.422 175.510 -0.027 0.000 1.158 688 N CA -0.269 52.759 53.050 -0.036 0.000 0.878 688 N CB 0.198 38.666 38.487 -0.033 0.000 1.138 688 N HN 0.556 nan 8.380 nan 0.000 0.509 689 R N 0.288 120.773 120.500 -0.025 0.000 2.229 689 R HA 0.336 4.674 4.340 -0.002 0.000 0.328 689 R C 0.357 176.654 176.300 -0.005 0.000 1.009 689 R CA -0.201 55.887 56.100 -0.020 0.000 0.864 689 R CB 0.689 30.971 30.300 -0.030 0.000 1.085 689 R HN -0.049 nan 8.270 nan 0.000 0.453 690 S N 1.883 117.581 115.700 -0.004 0.000 2.625 690 S HA 0.144 4.612 4.470 -0.002 0.000 0.262 690 S C 0.814 175.401 174.600 -0.022 0.000 1.223 690 S CA -0.356 57.852 58.200 0.013 0.000 0.993 690 S CB 1.109 64.323 63.200 0.023 0.000 1.051 690 S HN 0.724 nan 8.310 nan 0.000 0.562 691 T N 0.975 115.506 114.554 -0.039 0.000 2.697 691 T HA 0.143 4.492 4.350 -0.002 0.000 0.244 691 T C 0.448 174.970 174.700 -0.298 0.000 1.090 691 T CA 0.766 62.776 62.100 -0.150 0.000 1.255 691 T CB -0.503 68.247 68.868 -0.198 0.000 0.931 691 T HN 0.577 nan 8.240 nan 0.000 0.406 692 H N 0.000 118.844 119.070 -0.377 0.000 2.539 692 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 692 H CA 0.000 55.879 56.048 -0.282 0.000 1.023 692 H CB 0.000 29.447 29.762 -0.525 0.000 1.292 692 H HN 0.000 nan 8.280 nan 0.000 0.496